From 34a89988193684d1fed615de6750b2863f1477bb Mon Sep 17 00:00:00 2001 From: Osvaldo A Martin Date: Thu, 24 Oct 2024 16:56:43 -0300 Subject: [PATCH] mle: handle multidimensional samples (#568) * p2p handle vectors * lint --- preliz/internal/optimization.py | 29 +- preliz/ppls/agnostic.py | 7 +- preliz/ppls/pymc_io.py | 3 +- preliz/tests/test_posterior_to_prior.py | 2 +- preliz/tests/test_ppe.py | 38 - preliz/unidimensional/mle.py | 2 + testdata/chemical_shifts_theo_exp.csv | 1777 ----------------------- 7 files changed, 34 insertions(+), 1824 deletions(-) delete mode 100644 testdata/chemical_shifts_theo_exp.csv diff --git a/preliz/internal/optimization.py b/preliz/internal/optimization.py index c2020ce5..9b9cc041 100644 --- a/preliz/internal/optimization.py +++ b/preliz/internal/optimization.py @@ -337,16 +337,35 @@ def fit_to_sample(selected_distributions, sample, x_min, x_max): Maximize the likelihood given a sample """ fitted = Loss(len(selected_distributions)) - sample_size = len(sample) - for dist in selected_distributions: + for dist in selected_distributions: # pylint: disable=too-many-nested-blocks if dist.__class__.__name__ in ["BetaScaled", "TruncatedNormal"]: update_bounds_beta_scaled(dist, x_min, x_max) loss = np.inf if dist._check_endpoints(x_min, x_max, raise_error=False): - dist._fit_mle(sample) # pylint:disable=protected-access - corr = get_penalization(sample_size, dist) - loss = dist._neg_logpdf(sample) + corr + if sample.ndim > 1: + dists = [] + neg_logpdf = 0 + for s in sample: + dist_i = copy(dist) + dist_i._fit_mle(s) + neg_logpdf += dist_i._neg_logpdf(s) + dists.append(dist_i) + new_dict = {} + for d in dists: + params = d.params_dict + for k, v in params.items(): + if k in new_dict: + new_dict[k].append(v) + else: + new_dict[k] = [v] + + dist._parametrization(**{k: np.asarray(v) for k, v in new_dict.items()}) + else: + dist._fit_mle(sample) # pylint:disable=protected-access + neg_logpdf = dist._neg_logpdf(sample) + corr = get_penalization(sample.size, dist) + loss = neg_logpdf + corr fitted.update(loss, dist) return fitted diff --git a/preliz/ppls/agnostic.py b/preliz/ppls/agnostic.py index 1556dc68..956f5453 100644 --- a/preliz/ppls/agnostic.py +++ b/preliz/ppls/agnostic.py @@ -2,6 +2,7 @@ import logging + from preliz.internal.parser import get_engine from preliz.distributions import Gamma, Normal, HalfNormal from preliz.unidimensional.mle import mle @@ -48,14 +49,15 @@ def posterior_to_prior(model, idata, alternative=None, engine="auto"): if alternative is None: for var, dist in model_info.items(): - dist._fit_mle(posterior[var].values) + idx, _ = mle([dist], posterior[var].values, plot=False) new_priors[var] = dist else: for var, dist in model_info.items(): dists = [dist] if alternative == "auto": - dists += [Normal(), HalfNormal(), Gamma()] + alt = [Normal(), HalfNormal(), Gamma()] + dists += [a for a in alt if dist.__class__.__name__ != a.__class__.__name__] elif isinstance(alternative, list): dists += alternative elif isinstance(alternative, dict): @@ -63,6 +65,7 @@ def posterior_to_prior(model, idata, alternative=None, engine="auto"): idx, _ = mle(dists, posterior[var].values, plot=False) new_priors[var] = dists[idx[0]] + if engine == "bambi": new_model = write_bambi_string(new_priors, var_info2) elif engine == "pymc": diff --git a/preliz/ppls/pymc_io.py b/preliz/ppls/pymc_io.py index 4823d819..e39db376 100644 --- a/preliz/ppls/pymc_io.py +++ b/preliz/ppls/pymc_io.py @@ -2,6 +2,7 @@ # pylint: disable=protected-access from sys import modules +from copy import copy import numpy as np @@ -126,7 +127,7 @@ def get_model_information(model): # pylint: disable=too-many-locals name = ( r_v.owner.op.name if r_v.owner.op.name else str(r_v.owner.op).split("RV", 1)[0].lower() ) - dist = pymc_to_preliz[name] + dist = copy(pymc_to_preliz[name]) p_model[r_v.name] = dist if nc_parents: idxs = [free_rvs.index(var_) for var_ in nc_parents] diff --git a/preliz/tests/test_posterior_to_prior.py b/preliz/tests/test_posterior_to_prior.py index 8799f9d9..8cc90147 100644 --- a/preliz/tests/test_posterior_to_prior.py +++ b/preliz/tests/test_posterior_to_prior.py @@ -30,7 +30,7 @@ def test_p2p_pymc(): "x1": np.random.normal(size=117), } ) -bmb_prior = {"Intercept": bmb.Prior("HalfStudentT", nu=1)} +bmb_prior = {"Intercept": bmb.Prior("Normal", mu=0, sigma=1)} bmb_model = bmb.Model("y ~ x + x1", bmb_data, priors=bmb_prior) bmb_idata = bmb_model.fit(tune=200, draws=200, random_seed=2945) diff --git a/preliz/tests/test_ppe.py b/preliz/tests/test_ppe.py index b05d6844..39899aa3 100644 --- a/preliz/tests/test_ppe.py +++ b/preliz/tests/test_ppe.py @@ -73,41 +73,3 @@ def test_ppe(params): assert_allclose(new_prior["x"].mu, params["new_mu_x"], 1) assert_allclose(new_prior["x"].sigma, params["new_sigma_x"], 1) assert_allclose(new_prior["z"].sigma, params["new_sigma_z"], 1) - - -@pytest.mark.parametrize( - "params", - [ - { - "mu_a": 0, - "sigma_a": 10, - "sigma_b": 10, - "sigma_z": 10, - "target": pz.Normal(mu=40, sigma=7), - "new_mu_a": 40.00908, - "new_sigma_a": 0.167701, - "new_sigma_b": 7.003267, - "new_sigma_z": 7.003267, - }, - ], -) -def test_ppe_testdata(params): - csv_data = pd.read_csv(r"testdata/chemical_shifts_theo_exp.csv") - diff = csv_data.theo - csv_data.exp - cat_encode = pd.Categorical(csv_data["aa"]) - idx = cat_encode.codes - coords = {"aa": cat_encode.categories} - with pm.Model(coords=coords) as model: - # hyper_priors - a = pm.Normal("a", mu=0, sigma=10) - b = pm.HalfNormal("b", 10) - z = pm.HalfNormal("z", sigma=10) - - x = pm.Normal("x", mu=a, sigma=b, dims="aa") # No prior for this! - - y = pm.Normal("y", mu=x[idx], sigma=z, observed=diff) - prior, new_prior, pymc_string = pz.ppe(model, params["target"]) - assert_allclose(new_prior["a"].mu, params["new_mu_a"], 1e-6) - assert_allclose(new_prior["a"].sigma, params["new_sigma_a"], 1e-6) - assert_allclose(new_prior["b"].sigma, params["new_sigma_b"], 1e-6) - assert_allclose(new_prior["z"].sigma, params["new_sigma_z"], 1e-6) diff --git a/preliz/unidimensional/mle.py b/preliz/unidimensional/mle.py index 466f0c01..d3f1a8f9 100644 --- a/preliz/unidimensional/mle.py +++ b/preliz/unidimensional/mle.py @@ -29,6 +29,8 @@ def mle( updated inplace. sample : list or 1D array-like Data used to estimate the distribution parameters. + ignore_support : bool + plot : int Number of distributions to plots. Defaults to ``1`` (i.e. plot the best match) If larger than the number of passed distributions it will plot all of them. diff --git a/testdata/chemical_shifts_theo_exp.csv b/testdata/chemical_shifts_theo_exp.csv deleted file mode 100644 index 47364a11..00000000 --- a/testdata/chemical_shifts_theo_exp.csv +++ /dev/null @@ -1,1777 +0,0 @@ -ID,aa,theo,exp -1BM8,ILE,61.18,58.27 -1BM8,TYR,56.95,56.18 -1BM8,SER,56.35,56.84 -1BM8,ALA,51.96,51.01 -1BM8,ARG,56.54,54.64 -1BM8,TYR,58.02,54.2 -1BM8,SER,59.59,57.51 -1BM8,GLY,45.8,44.45 -1BM8,VAL,61.91,61.46 -1BM8,ASP,54.97,54.45 -1BM8,VAL,58.87,58.56 -1BM8,TYR,58.43,55.43 -1BM8,GLU,55.14,55.03 -1BM8,PHE,57.47,54.58 -1BM8,ILE,57.52,60.78 -1BM8,HIS,54.12,55.05 -1BM8,SER,59.78,61.22 -1BM8,THR,62.6,62.25 -1BM8,GLY,43.83,43.58 -1BM8,SER,56.07,59.28 -1BM8,ILE,61.05,59.13 -1BM8,MET,55.42,54.8 -1BM8,LYS,55.72,53.67 -1BM8,ARG,58.55,58.17 -1BM8,LYS,59.03,58.62 -1BM8,LYS,56.26,58.72 -1BM8,ASP,53.35,52.0 -1BM8,ASP,58.31,56.63 -1BM8,TRP,59.62,58.77 -1BM8,VAL,61.2,59.77 -1BM8,ASN,52.37,52.5 -1BM8,ALA,53.83,53.59 -1BM8,THR,66.32,68.09 -1BM8,HIS,59.4,56.69 -1BM8,ILE,64.27,65.31 -1BM8,LEU,56.6,56.68 -1BM8,LYS,59.43,59.67 -1BM8,ALA,54.11,53.45 -1BM8,ALA,52.71,50.56 -1BM8,ASN,56.2,53.63 -1BM8,PHE,58.96,54.56 -1BM8,ALA,52.43,51.05 -1BM8,LYS,58.82,59.96 -1BM8,ALA,54.6,54.82 -1BM8,LYS,57.87,58.02 -1BM8,ARG,59.47,60.35 -1BM8,THR,67.04,66.25 -1BM8,ARG,59.84,58.47 -1BM8,ILE,64.22,64.32 -1BM8,LEU,57.39,58.29 -1BM8,GLU,58.92,58.94 -1BM8,LYS,53.06,57.69 -1BM8,GLU,59.13,56.48 -1BM8,VAL,61.57,62.76 -1BM8,LEU,56.24,57.1 -1BM8,LYS,54.52,55.63 -1BM8,GLU,54.5,52.87 -1BM8,THR,66.95,63.64 -1BM8,HIS,56.18,55.97 -1BM8,GLU,56.51,54.87 -1BM8,LYS,56.71,49.58 -1BM8,VAL,60.83,62.15 -1BM8,GLN,54.43,54.76 -1BM8,GLY,47.44,43.21 -1BM8,TYR,59.1,58.29 -1BM8,GLN,59.66,55.98 -1BM8,GLY,43.83,43.45 -1BM8,THR,63.85,61.04 -1BM8,TRP,57.49,56.37 -1BM8,VAL,57.14,56.79 -1BM8,PRO,61.8,61.28 -1BM8,LEU,57.92,58.56 -1BM8,ASN,55.18,56.24 -1BM8,ILE,63.76,61.36 -1BM8,ALA,54.31,54.74 -1BM8,LYS,59.99,59.88 -1BM8,GLN,60.4,58.25 -1BM8,LEU,57.22,57.13 -1BM8,ALA,54.3,53.97 -1BM8,GLU,59.49,59.0 -1BM8,LYS,59.17,58.94 -1BM8,PHE,57.54,57.2 -1BM8,SER,58.34,58.95 -1BM8,VAL,59.98,59.31 -1BM8,TYR,60.22,62.19 -1BM8,ASP,55.86,57.09 -1BM8,GLN,57.97,57.35 -1BM8,LEU,53.67,53.5 -1BM8,LYS,57.24,61.02 -1BM8,PRO,63.14,65.42 -1BM8,LEU,57.36,55.97 -1BM8,PHE,59.89,59.94 -1BM8,ASP,54.76,54.88 -1BZ4,GLY,46.56,44.79 -1BZ4,GLN,55.01,54.62 -1BZ4,ARG,59.65,60.25 -1BZ4,TRP,58.23,59.43 -1BZ4,GLU,58.75,58.12 -1BZ4,LEU,56.67,57.01 -1BZ4,ALA,54.5,55.32 -1BZ4,LEU,57.34,57.24 -1BZ4,GLY,47.03,46.85 -1BZ4,ARG,58.69,59.62 -1BZ4,PHE,59.49,61.97 -1BZ4,TRP,58.25,60.08 -1BZ4,ASP,56.1,57.23 -1BZ4,TYR,59.84,61.32 -1BZ4,LEU,56.86,54.12 -1BZ4,ARG,57.23,58.99 -1BZ4,TRP,59.53,60.81 -1BZ4,VAL,64.65,65.16 -1BZ4,GLN,55.33,54.66 -1BZ4,THR,62.78,58.83 -1BZ4,LEU,56.38,56.38 -1BZ4,SER,59.25,58.06 -1BZ4,GLU,59.75,55.62 -1BZ4,GLN,55.07,57.26 -1BZ4,VAL,64.99,62.13 -1BZ4,GLN,59.51,56.95 -1BZ4,GLU,58.95,56.77 -1BZ4,GLU,58.34,56.32 -1BZ4,LEU,56.15,56.19 -1BZ4,LEU,55.57,55.85 -1BZ4,SER,56.89,57.75 -1BZ4,SER,57.15,58.27 -1BZ4,GLN,58.5,59.18 -1BZ4,VAL,64.88,64.92 -1BZ4,THR,62.9,65.24 -1BZ4,GLN,59.34,59.0 -1BZ4,GLU,58.89,55.72 -1BZ4,LEU,56.43,57.8 -1BZ4,ARG,57.09,59.55 -1BZ4,ALA,54.65,52.62 -1BZ4,LEU,56.8,57.34 -1BZ4,MET,56.19,58.88 -1BZ4,ASP,56.55,57.26 -1BZ4,GLU,58.34,59.3 -1BZ4,MET,55.86,56.48 -1BZ4,LYS,59.2,59.58 -1BZ4,GLU,58.38,57.56 -1BZ4,LEU,57.38,57.98 -1BZ4,LYS,58.3,59.47 -1BZ4,ALA,54.23,54.64 -1BZ4,TYR,60.0,59.11 -1BZ4,LYS,58.62,59.79 -1BZ4,SER,58.26,61.64 -1BZ4,GLU,58.74,58.93 -1BZ4,LEU,57.03,57.02 -1BZ4,GLU,58.44,58.56 -1BZ4,GLU,57.1,57.69 -1BZ4,GLN,50.38,55.38 -1BZ4,LEU,53.85,54.73 -1BZ4,THR,63.49,61.69 -1BZ4,PRO,61.92,63.8 -1BZ4,VAL,58.82,61.08 -1BZ4,ALA,53.5,52.36 -1BZ4,GLU,59.0,59.2 -1BZ4,GLU,56.56,59.14 -1BZ4,THR,58.13,65.32 -1BZ4,ARG,56.19,59.22 -1BZ4,ALA,54.48,54.82 -1BZ4,ARG,57.36,58.96 -1BZ4,LEU,56.88,57.44 -1BZ4,SER,57.35,61.24 -1BZ4,LYS,57.1,59.31 -1BZ4,GLU,59.39,58.66 -1BZ4,LEU,57.03,57.62 -1BZ4,GLN,55.79,58.64 -1BZ4,ALA,54.15,54.56 -1BZ4,ALA,54.28,54.47 -1BZ4,GLN,57.24,59.11 -1BZ4,ALA,54.7,54.29 -1BZ4,ARG,58.55,59.08 -1BZ4,LEU,57.56,57.71 -1BZ4,GLY,47.29,47.36 -1BZ4,ALA,54.32,54.52 -1BZ4,ASP,56.47,56.45 -1BZ4,MET,57.74,60.48 -1BZ4,GLU,59.01,59.32 -1BZ4,ASP,56.13,56.73 -1BZ4,VAL,65.13,66.78 -1BZ4,GLY,46.77,46.71 -1BZ4,ARG,55.41,56.53 -1BZ4,LEU,56.4,57.25 -1BZ4,VAL,64.35,66.73 -1BZ4,GLN,58.11,58.54 -1BZ4,TYR,59.96,60.72 -1BZ4,ARG,58.61,59.52 -1BZ4,GLY,46.6,46.57 -1BZ4,GLU,59.09,59.17 -1BZ4,VAL,64.94,65.68 -1BZ4,GLN,56.08,58.41 -1BZ4,ALA,53.73,53.26 -1BZ4,MET,55.38,54.53 -1BZ4,LEU,55.77,55.89 -1BZ4,GLY,45.22,45.07 -1BZ4,GLN,58.46,54.24 -1BZ4,SER,58.24,57.55 -1BZ4,THR,60.28,60.82 -1BZ4,GLU,57.57,59.83 -1BZ4,GLU,58.19,59.34 -1BZ4,LEU,56.93,57.43 -1BZ4,ARG,59.15,60.12 -1BZ4,VAL,64.82,65.97 -1BZ4,ARG,58.89,58.96 -1BZ4,LEU,57.55,57.8 -1BZ4,ALA,54.73,55.18 -1BZ4,SER,59.12,60.98 -1BZ4,HIS,58.07,58.75 -1BZ4,LEU,57.12,57.75 -1BZ4,ARG,58.57,60.26 -1BZ4,LYS,59.67,59.32 -1BZ4,LEU,56.88,57.45 -1BZ4,ARG,58.64,60.13 -1BZ4,LYS,59.97,59.6 -1BZ4,ARG,57.17,59.28 -1BZ4,LEU,57.75,57.98 -1BZ4,LEU,57.5,57.99 -1BZ4,ARG,57.87,58.84 -1BZ4,ASP,55.97,56.21 -1BZ4,ALA,54.41,55.49 -1BZ4,ASP,55.14,57.3 -1BZ4,ASP,55.18,57.52 -1BZ4,LEU,57.78,58.12 -1BZ4,GLN,56.99,59.79 -1BZ4,LYS,60.11,59.55 -1BZ4,ARG,59.09,58.41 -1BZ4,LEU,57.04,57.45 -1BZ4,ALA,54.18,54.72 -1BZ4,VAL,59.73,64.82 -1BZ4,TYR,60.15,60.24 -1BZ4,GLN,58.75,57.42 -1BZ4,ALA,54.27,53.35 -1CQ4,THR,60.07,60.94 -1CQ4,GLU,54.41,55.08 -1CQ4,TRP,54.53,56.48 -1CQ4,GLU,57.25,57.79 -1CQ4,LEU,55.0,54.35 -1CQ4,VAL,65.17,66.32 -1CQ4,GLY,45.83,45.01 -1CQ4,LYS,53.04,54.1 -1CQ4,SER,58.91,58.07 -1CQ4,VAL,64.95,66.36 -1CQ4,GLU,58.75,59.71 -1CQ4,GLU,57.01,58.79 -1CQ4,ALA,54.94,54.61 -1CQ4,LYS,56.69,60.72 -1CQ4,LYS,57.93,59.37 -1CQ4,VAL,65.0,66.16 -1CQ4,ILE,64.55,65.35 -1CQ4,LEU,56.54,56.71 -1CQ4,GLN,58.92,58.26 -1CQ4,ASP,55.5,56.32 -1CQ4,LYS,53.6,53.87 -1CQ4,GLU,55.57,55.55 -1CQ4,ALA,53.53,52.91 -1CQ4,GLN,55.84,54.1 -1CQ4,ILE,62.12,60.28 -1CQ4,ILE,56.62,58.69 -1CQ4,VAL,61.7,61.69 -1CQ4,LEU,52.03,51.8 -1CQ4,VAL,65.15,64.14 -1CQ4,GLY,45.07,44.51 -1CQ4,THR,66.47,64.75 -1CQ4,ILE,63.76,61.43 -1DXG,ASN,52.59,54.23 -1DXG,GLU,58.47,60.59 -1DXG,GLY,45.63,47.22 -1DXG,ASP,55.62,57.24 -1DXG,VAL,61.73,63.32 -1DXG,TYR,57.55,59.28 -1DXG,LYS,54.99,56.05 -1DXG,GLU,57.78,60.32 -1DXG,LEU,55.93,60.57 -1DXG,GLY,45.61,48.06 -1DXG,GLN,57.78,60.48 -1DXG,VAL,61.84,63.15 -1DXG,VAL,58.54,59.79 -1DXG,LYS,54.36,55.43 -1DXG,VAL,63.61,65.63 -1DXG,LEU,55.28,57.79 -1DXG,GLU,56.02,56.96 -1DXG,VAL,61.36,64.27 -1DXG,GLY,46.1,45.59 -1DXG,GLU,54.59,56.47 -1DXG,ASP,56.13,58.16 -1DXG,MET,58.21,59.54 -1DXG,VAL,62.22,64.77 -1DXG,LYS,57.54,59.71 -1F00,ILE,62.94,62.9 -1F00,THR,60.7,60.4 -1F00,GLU,56.88,55.0 -1F00,ILE,59.34,56.9 -1F00,LYS,53.71,54.0 -1F00,ALA,51.26,49.2 -1F00,ASP,55.52,55.1 -1F00,LYS,54.84,54.3 -1F00,THR,60.66,60.5 -1F00,THR,62.99,58.7 -1F00,ALA,53.23,50.3 -1F00,VAL,63.07,61.8 -1F00,ALA,48.88,48.9 -1F00,ASN,51.32,50.4 -1F00,GLY,46.06,45.4 -1F00,GLN,54.72,55.6 -1F00,ASP,55.15,54.9 -1F00,ALA,50.54,49.9 -1F00,ILE,61.36,60.4 -1F00,THR,56.69,61.9 -1F00,TYR,58.25,56.3 -1F00,THR,63.13,60.9 -1F00,VAL,58.37,58.6 -1F00,LYS,55.84,53.9 -1F00,VAL,62.18,60.4 -1F00,MET,53.89,53.3 -1F00,LYS,54.43,55.0 -1F00,GLY,45.72,46.8 -1F00,ASP,55.73,53.4 -1F00,LYS,53.66,52.1 -1F00,VAL,61.46,62.0 -1F00,SER,57.92,56.2 -1F00,ASN,54.71,54.2 -1F00,GLN,53.05,53.4 -1F00,GLU,56.99,57.1 -1F00,VAL,61.71,60.1 -1F00,THR,57.7,60.1 -1F00,PHE,56.75,56.2 -1F00,THR,60.1,59.9 -1F00,THR,62.04,57.8 -1F00,THR,61.71,62.0 -1F00,LEU,57.77,56.0 -1F00,GLY,42.74,43.1 -1F00,LYS,56.44,54.2 -1F00,LEU,54.67,53.0 -1F00,SER,61.31,60.3 -1F00,ASN,53.26,52.4 -1F00,SER,59.66,59.4 -1F00,THR,59.16,59.8 -1F00,GLU,55.5,53.9 -1F00,THR,62.22,60.5 -1F00,ASP,52.59,51.9 -1F00,THR,62.22,64.2 -1F00,ASN,54.04,52.4 -1F00,GLY,45.27,44.6 -1F00,TYR,58.47,56.9 -1F00,ALA,52.02,50.5 -1F00,LYS,54.94,54.1 -1F00,THR,58.77,58.9 -1F00,LEU,54.74,53.4 -1F00,THR,59.46,58.9 -1F00,SER,57.28,57.1 -1F00,THR,60.99,60.8 -1F00,GLY,43.92,43.4 -1F00,LYS,58.23,54.9 -1F00,SER,55.34,56.9 -1F00,LEU,53.66,53.6 -1F00,VAL,62.69,60.3 -1F00,SER,57.51,55.6 -1F00,ALA,51.01,49.2 -1F00,ARG,54.92,54.4 -1F00,SER,60.46,60.8 -1F00,ASP,54.94,55.2 -1F00,VAL,61.71,60.9 -1F00,ALA,49.41,52.1 -1F00,VAL,61.86,60.8 -1F00,ASP,55.37,53.1 -1F00,VAL,57.39,61.5 -1F00,LYS,54.35,55.7 -1F00,ALA,48.81,49.4 -1F00,GLU,57.05,57.3 -1F00,VAL,58.36,58.4 -1F00,GLU,54.74,54.9 -1F00,PHE,57.88,55.3 -1F00,PHE,57.01,56.4 -1F00,THR,66.46,62.7 -1F00,THR,66.82,63.7 -1F00,LEU,56.26,53.9 -1F00,THR,62.97,60.9 -1F00,ILE,61.27,60.3 -1F00,ASP,52.37,52.7 -1F00,ASP,55.66,54.8 -1F00,GLY,44.9,43.9 -1F00,ASN,51.71,51.5 -1F00,ILE,63.88,61.7 -1F00,GLU,55.25,54.0 -1F00,ILE,58.66,60.2 -1F00,VAL,64.9,66.5 -1F00,GLY,46.4,45.5 -1F00,THR,60.34,60.2 -1F00,GLY,45.47,45.0 -1F00,VAL,65.02,62.8 -1F00,LYS,55.97,53.7 -1F00,GLY,46.73,45.4 -1F00,LYS,57.3,55.4 -1F00,LEU,54.3,53.2 -1F00,THR,61.13,60.7 -1F00,VAL,61.96,61.8 -1F00,GLY,45.02,44.2 -1F00,GLN,54.97,53.7 -1F00,VAL,58.53,57.2 -1F00,ASN,52.09,51.6 -1F00,LEU,54.29,53.3 -1F00,LYS,52.44,53.9 -1F00,ALA,50.29,49.2 -1F00,SER,58.31,56.8 -1F00,GLY,43.0,43.4 -1F00,GLY,45.15,45.9 -1F00,ASN,52.56,51.2 -1F00,GLY,45.73,44.5 -1F00,LYS,54.28,54.4 -1F00,TYR,55.29,54.0 -1F00,THR,63.38,61.3 -1F00,TRP,55.44,56.1 -1F00,ARG,55.25,54.8 -1F00,SER,54.79,54.2 -1F00,ALA,53.8,53.5 -1F00,ASN,50.69,50.4 -1F00,ALA,54.2,51.1 -1F00,SER,56.71,55.4 -1F00,VAL,60.05,57.2 -1F00,ASP,54.98,54.2 -1F00,ALA,54.46,54.5 -1F00,SER,56.21,58.8 -1F00,SER,59.53,58.5 -1F00,GLY,45.15,54.0 -1F00,GLN,57.12,55.6 -1F00,VAL,62.01,59.9 -1F00,THR,63.42,57.8 -1F00,LYS,59.01,56.4 -1F00,GLY,45.02,44.6 -1F00,THR,58.93,56.8 -1F00,THR,60.62,60.0 -1F00,THR,58.77,60.6 -1F00,ILE,57.42,56.8 -1F00,SER,57.68,56.1 -1F00,ASP,54.57,53.6 -1F00,ASN,55.56,53.8 -1F00,GLN,54.91,55.3 -1F00,THR,63.37,60.6 -1F00,ALA,51.33,50.4 -1F00,THR,59.23,59.9 -1F00,TYR,57.93,56.6 -1F00,THR,57.84,62.4 -1F00,ILE,62.12,60.4 -1F00,ALA,52.38,51.0 -1F00,THR,64.78,60.0 -1F00,ASN,54.56,55.4 -1F00,SER,57.83,56.5 -1F00,LEU,54.13,52.6 -1F00,ILE,57.96,58.3 -1F00,ASN,52.24,53.1 -1F00,MET,54.77,54.1 -1F00,SER,60.44,61.4 -1F00,LYS,57.17,59.4 -1F00,ARG,57.93,56.3 -1F00,VAL,58.96,58.7 -1F00,THR,61.33,60.9 -1F00,TYR,59.93,61.8 -1F00,ASN,53.8,55.5 -1F00,ASP,55.98,56.5 -1F00,ALA,54.25,55.0 -1F00,VAL,65.2,66.1 -1F00,ASN,54.12,55.9 -1F00,THR,66.91,66.6 -1F00,LYS,58.16,59.3 -1F00,ASN,53.79,55.2 -1F00,PHE,59.46,56.3 -1F00,GLY,46.13,45.1 -1F00,GLY,43.24,43.8 -1F00,SER,60.26,60.4 -1F00,SER,59.59,56.9 -1F00,GLN,58.46,58.9 -1F00,ASN,55.65,55.7 -1F00,GLU,58.64,59.4 -1F00,LEU,56.08,55.9 -1F00,GLU,58.42,58.5 -1F00,ASN,55.45,55.6 -1F00,VAL,64.98,66.0 -1F00,PHE,59.67,60.8 -1F00,LYS,58.56,58.9 -1F00,TRP,56.82,57.4 -1F00,GLY,44.19,42.8 -1F00,ALA,53.91,52.0 -1F00,ALA,54.5,54.3 -1F00,ASN,54.6,53.1 -1F00,LYS,54.28,61.0 -1F00,GLU,59.35,59.3 -1F00,TYR,59.91,60.9 -1F00,TYR,55.25,55.2 -1F00,LYS,56.65,58.9 -1F00,SER,59.46,58.0 -1F00,GLN,57.57,55.1 -1F00,THR,60.76,59.1 -1F00,ILE,58.83,60.0 -1F00,ILE,59.54,61.7 -1F00,SER,55.86,58.2 -1F00,TRP,58.55,57.4 -1F00,GLN,58.87,56.5 -1F00,THR,60.87,60.3 -1F00,ALA,54.66,55.1 -1F00,GLN,55.11,57.9 -1F00,ASP,56.52,56.8 -1F00,LYS,57.98,58.4 -1F00,SER,58.34,58.4 -1F00,GLY,46.43,46.0 -1F00,VAL,58.57,58.3 -1F00,ALA,52.64,51.4 -1F00,SER,58.46,57.8 -1F00,THR,59.83,59.6 -1F00,LYS,54.39,56.1 -1F00,GLN,61.81,59.1 -1F00,ASN,52.98,52.4 -1F00,LEU,53.31,53.4 -1F00,ASN,50.6,50.6 -1F00,ASN,55.95,54.0 -1F00,ILE,58.36,57.8 -1F00,LYS,58.81,58.7 -1F00,ALA,53.71,53.3 -1F00,SER,59.48,57.6 -1F00,GLU,53.8,53.3 -1F00,SER,55.19,56.1 -1F00,ASN,53.68,52.4 -1F00,ALA,52.39,50.1 -1F00,TYR,58.88,58.3 -1F00,ALA,51.11,50.6 -1F00,THR,63.66,61.4 -1F00,VAL,61.75,61.2 -1FL0,ASP,52.13,52.3 -1FL0,VAL,61.38,62.74 -1FL0,SER,60.77,61.35 -1FL0,ARG,55.73,56.12 -1FL0,LEU,54.45,54.49 -1FL0,ASP,52.09,51.48 -1FL0,LEU,54.17,53.17 -1FL0,ARG,54.03,53.35 -1FL0,ILE,58.24,58.09 -1FL0,GLY,43.33,44.45 -1FL0,ILE,62.56,63.23 -1FL0,ILE,63.61,62.99 -1FL0,THR,58.59,60.08 -1FL0,ALA,53.16,50.8 -1FL0,ARG,55.03,53.72 -1FL0,LYS,54.98,57.87 -1FL0,HIS,55.48,54.7 -1FL0,PRO,62.61,64.7 -1FL0,ASP,51.99,53.47 -1FL0,ALA,53.92,51.95 -1FL0,ASP,52.97,54.7 -1FL0,SER,58.71,58.02 -1FL0,LEU,53.49,53.54 -1FL0,TYR,57.92,54.78 -1FL0,VAL,61.82,61.91 -1FL0,GLU,55.78,54.57 -1FL0,GLU,55.09,55.29 -1FL0,VAL,61.44,60.7 -1FL0,ASP,53.71,53.12 -1FL0,VAL,57.42,59.02 -1FL0,GLY,45.24,45.51 -1FL0,GLU,55.29,54.37 -1FL0,ILE,64.55,63.69 -1FL0,ALA,48.29,48.87 -1FL0,PRO,61.67,62.72 -1FL0,ARG,56.47,55.02 -1FL0,THR,65.39,62.9 -1FL0,VAL,62.3,61.45 -1FL0,VAL,61.98,60.46 -1FL0,SER,56.83,57.05 -1FL0,GLY,46.47,47.37 -1FL0,LEU,54.65,54.07 -1FL0,VAL,64.7,65.27 -1FL0,HIS,55.12,57.79 -1FL0,VAL,60.8,59.34 -1FL0,PRO,62.13,62.7 -1FL0,LEU,57.63,58.71 -1FL0,GLU,57.96,59.52 -1FL0,GLN,56.89,56.03 -1FL0,MET,54.86,54.63 -1FL0,GLN,54.31,55.66 -1FL0,ASN,54.82,54.73 -1FL0,ARG,55.29,55.02 -1FL0,MET,55.09,53.65 -1FL0,VAL,59.22,59.3 -1FL0,ILE,62.0,61.18 -1FL0,LEU,53.89,52.37 -1FL0,LEU,54.78,54.77 -1FL0,ASN,51.99,52.17 -1FL0,LEU,54.76,54.41 -1FL0,LYS,55.71,55.0 -1FL0,PRO,62.18,64.0 -1FL0,ALA,52.63,50.69 -1FL0,LYS,57.86,56.56 -1FL0,MET,53.33,54.66 -1FL0,ARG,61.51,55.59 -1FL0,GLY,45.86,45.44 -1FL0,VAL,61.57,61.11 -1FL0,LEU,55.41,55.93 -1FL0,SER,56.8,56.87 -1FL0,GLN,54.96,56.05 -1FL0,ALA,53.14,51.5 -1FL0,MET,54.42,55.19 -1FL0,VAL,64.33,62.9 -1FL0,MET,55.28,55.56 -1FL0,ALA,51.83,51.76 -1FL0,SER,58.37,57.46 -1FL0,SER,56.6,56.38 -1FL0,PRO,62.46,65.39 -1FL0,GLU,56.06,56.84 -1FL0,LYS,59.85,56.76 -1FL0,ILE,61.62,59.71 -1FL0,GLU,55.68,54.54 -1FL0,ILE,63.83,62.55 -1FL0,LEU,55.89,55.52 -1FL0,ALA,49.0,48.6 -1FL0,PRO,59.51,60.59 -1FL0,PRO,61.52,63.55 -1FL0,GLY,45.2,45.03 -1FL0,SER,60.87,60.8 -1FL0,VAL,59.77,58.03 -1FL0,PRO,62.11,63.56 -1FL0,GLY,45.23,45.39 -1FL0,ASP,56.31,55.97 -1FL0,ARG,55.87,55.19 -1FL0,ILE,57.08,58.82 -1FL0,THR,59.16,59.91 -1FL0,PHE,56.64,55.74 -1FL0,ASP,56.28,57.71 -1FL0,ALA,53.3,52.62 -1FL0,PHE,52.84,55.17 -1FL0,PRO,62.2,62.76 -1FL0,GLY,45.41,44.52 -1FL0,GLU,53.18,53.02 -1FL0,PRO,61.69,62.14 -1FL0,ASP,55.94,54.64 -1FL0,LYS,58.31,59.77 -1FL0,GLU,58.8,56.02 -1FL0,LEU,56.19,54.43 -1FL0,ASN,52.11,51.03 -1FL0,PRO,63.13,65.21 -1FL0,LYS,54.4,58.11 -1FL0,LYS,66.14,55.66 -1FL0,LYS,58.85,56.87 -1FL0,ILE,62.84,64.13 -1FL0,TRP,60.24,59.88 -1FL0,GLU,57.94,60.85 -1FL0,GLN,56.5,57.68 -1FL0,ILE,62.5,62.55 -1FL0,GLN,56.76,61.0 -1FL0,PRO,62.8,65.74 -1FL0,ASP,55.28,54.57 -1FL0,LEU,54.07,53.33 -1FL0,HIS,56.84,55.02 -1FL0,THR,60.97,59.08 -1FL0,ASN,50.06,50.55 -1FL0,ASP,53.92,57.46 -1FL0,GLU,55.67,55.23 -1FL0,VAL,64.03,63.05 -1FL0,ALA,53.02,52.76 -1FL0,THR,59.13,60.64 -1FL0,TYR,57.45,56.38 -1FL0,LYS,59.79,58.03 -1FL0,GLY,45.69,45.45 -1FL0,VAL,60.8,60.47 -1FL0,PRO,62.15,63.57 -1FL0,PHE,60.23,55.93 -1FL0,GLU,54.56,55.13 -1FL0,VAL,62.01,61.17 -1FL0,LYS,59.05,58.73 -1FL0,GLY,45.92,45.11 -1FL0,GLY,43.17,44.92 -1FL0,VAL,59.05,59.25 -1FL0,ARG,55.4,55.61 -1FL0,ALA,51.25,50.35 -1FL0,GLN,59.14,60.4 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-1IEE,SER,61.39,61.18 -1IEE,ALA,53.51,54.33 -1IEE,LEU,54.81,54.8 -1IEE,LEU,54.24,53.53 -1IEE,SER,58.72,57.45 -1IEE,SER,61.83,60.96 -1IEE,ASP,53.18,52.99 -1IEE,ILE,60.86,62.35 -1IEE,THR,67.52,69.1 -1IEE,ALA,54.38,56.03 -1IEE,SER,62.22,63.84 -1IEE,VAL,64.83,67.03 -1IEE,ASN,54.01,56.17 -1IEE,ALA,54.55,55.84 -1IEE,LYS,59.99,58.42 -1IEE,LYS,58.63,59.64 -1IEE,ILE,64.67,65.58 -1IEE,VAL,60.43,64.2 -1IEE,SER,59.35,60.56 -1IEE,ASP,52.81,54.32 -1IEE,GLY,45.79,46.1 -1IEE,ASN,53.16,51.97 -1IEE,GLY,46.21,46.83 -1IEE,MET,57.83,57.73 -1IEE,ASN,55.06,56.3 -1IEE,ALA,54.45,54.22 -1IEE,TRP,60.57,60.2 -1IEE,VAL,64.31,66.59 -1IEE,ALA,54.28,55.14 -1IEE,TRP,60.17,60.49 -1IEE,ARG,58.56,60.04 -1IEE,ASN,53.32,54.9 -1IEE,ARG,55.55,54.85 -1IEE,LYS,58.29,58.44 -1IEE,GLY,45.59,45.91 -1IEE,THR,59.6,60.63 -1IEE,ASP,52.29,53.0 -1IEE,VAL,61.74,64.48 -1IEE,GLN,57.12,58.14 -1IEE,ALA,54.45,55.21 -1IEE,TRP,59.07,60.22 -1IEE,ILE,60.39,60.0 -1IEE,ARG,55.15,58.47 -1IEE,GLY,45.54,45.64 -1IEE,ARG,53.57,56.68 -1IHR,ARG,59.78,58.62 -1IHR,ALA,52.64,54.17 -1IHR,GLN,52.3,58.83 -1IHR,ALA,50.05,54.4 -1IHR,LEU,55.11,55.1 -1IHR,ARG,54.33,56.98 -1IHR,ILE,61.04,60.49 -1IHR,GLU,55.19,54.96 -1IHR,GLY,45.11,45.96 -1IHR,GLN,55.13,55.34 -1IHR,VAL,60.34,61.2 -1IHR,LYS,57.46,55.57 -1IHR,VAL,61.06,60.26 -1IHR,LYS,55.66,53.7 -1IHR,PHE,56.83,56.51 -1IHR,ASP,53.59,52.29 -1IHR,VAL,61.9,61.2 -1IHR,THR,58.25,60.25 -1IHR,PRO,62.89,66.35 -1IHR,ASP,54.09,53.27 -1IHR,GLY,44.91,46.2 -1IHR,ARG,56.54,53.92 -1IHR,VAL,58.63,61.67 -1IHR,ASP,51.46,52.06 -1IHR,ASN,55.49,53.23 -1IHR,VAL,63.94,64.24 -1IHR,GLN,53.82,54.4 -1IHR,ILE,63.39,60.96 -1IHR,LEU,51.08,56.51 -1IHR,SER,59.29,57.92 -1IHR,ALA,52.16,52.2 -1IHR,LYS,50.71,56.51 -1IHR,PRO,62.07,63.0 -1IHR,ALA,52.91,52.52 -1IHR,ASN,54.86,54.47 -1IHR,MET,56.3,56.98 -1IHR,PHE,59.98,58.38 -1IHR,GLU,59.66,63.51 -1IHR,ARG,57.84,59.79 -1IHR,GLU,58.27,59.32 -1IHR,VAL,65.2,68.46 -1IHR,LYS,59.79,61.2 -1IHR,ASN,54.74,55.57 -1IHR,ALA,53.94,54.87 -1IHR,MET,57.96,58.62 -1IHR,ARG,58.64,58.62 -1IHR,ARG,57.07,55.57 -1IHR,TRP,59.01,57.45 -1IHR,ARG,54.26,54.4 -1IHR,TYR,57.34,56.54 -1IHR,GLU,56.43,55.53 -1IHR,PRO,61.95,63.07 -1IHR,GLY,45.75,45.49 -1IHR,LYS,50.93,54.01 -1IHR,PRO,61.51,62.76 -1IHR,GLY,45.13,46.2 -1IHR,SER,56.44,56.27 -1IHR,GLY,46.78,47.6 -1IHR,ILE,63.77,61.2 -1IHR,VAL,61.91,60.49 -1IHR,VAL,57.73,59.56 -1IHR,ASN,50.93,52.06 -1IHR,ILE,61.24,60.14 -1IHR,LEU,54.54,53.93 -1IHR,PHE,55.54,56.74 -1IHR,LYS,56.84,55.72 -1IHR,ILE,61.09,63.07 -1IHR,ASN,52.69,52.29 -1IHR,GLY,43.53,45.49 -1IHR,THR,59.37,60.49 -1IHR,THR,61.52,59.56 -1IWM,PRO,62.31,63.46 -1IWM,ASP,51.93,53.44 -1IWM,SER,56.81,56.62 -1IWM,GLN,60.61,59.4 -1IWM,TRP,57.81,57.5 -1IWM,ARG,59.3,59.82 -1IWM,GLN,55.64,57.97 -1IWM,HIS,58.55,60.42 -1IWM,GLN,60.3,58.93 -1IWM,GLN,58.86,58.31 -1IWM,ASP,56.49,56.83 -1IWM,VAL,64.55,65.82 -1IWM,ARG,58.19,58.63 -1IWM,ASN,53.34,53.1 -1IWM,LEU,55.42,54.85 -1IWM,ASN,52.86,54.77 -1IWM,GLN,55.55,54.59 -1IWM,TYR,55.16,55.41 -1IWM,GLN,58.5,54.58 -1IWM,THR,60.03,59.4 -1IWM,ARG,55.37,52.86 -1IWM,GLY,46.64,46.05 -1IWM,ALA,51.02,51.43 -1IWM,PHE,56.52,55.86 -1IWM,ALA,53.61,50.43 -1IWM,TYR,57.5,56.27 -1IWM,ILE,58.36,59.9 -1IWM,SER,57.75,56.1 -1IWM,ASP,55.75,56.68 -1IWM,GLN,55.25,56.35 -1IWM,GLN,55.86,55.36 -1IWM,LYS,52.91,55.23 -1IWM,VAL,61.94,61.4 -1IWM,TYR,57.6,56.25 -1IWM,ALA,53.6,51.14 -1IWM,ARG,54.18,54.51 -1IWM,PHE,54.62,54.37 -1IWM,PHE,58.44,56.27 -1IWM,TRP,56.24,55.76 -1IWM,GLN,55.59,53.89 -1IWM,GLN,55.47,55.04 -1IWM,THR,63.23,61.35 -1IWM,GLY,44.91,45.5 -1IWM,GLN,54.55,56.06 -1IWM,ASP,51.97,54.32 -1IWM,ARG,55.87,54.56 -1IWM,TYR,57.39,55.82 -1IWM,ARG,55.53,53.63 -1IWM,LEU,53.94,52.6 -1IWM,LEU,54.53,53.56 -1IWM,LEU,53.86,53.08 -1IWM,THR,58.44,59.92 -1IWM,ASN,52.62,51.65 -1IWM,PRO,63.1,64.98 -1IWM,LEU,53.26,54.77 -1IWM,GLY,44.71,44.77 -1IWM,SER,58.9,57.28 -1IWM,LEU,57.49,54.67 -1IWM,GLU,57.57,54.89 -1IWM,LEU,54.7,53.57 -1IWM,ASN,52.45,52.63 -1IWM,ALA,51.04,51.31 -1IWM,GLN,53.25,52.94 -1IWM,PRO,61.81,64.7 -1IWM,GLY,45.98,45.92 -1IWM,ASN,55.02,54.43 -1IWM,VAL,62.09,60.38 -1IWM,GLN,54.87,53.69 -1IWM,LEU,55.77,53.87 -1IWM,VAL,61.81,60.55 -1IWM,ASP,53.41,52.1 -1IWM,ASN,54.67,54.59 -1IWM,LYS,56.46,54.83 -1IWM,GLY,45.2,45.2 -1IWM,GLN,55.66,55.39 -1IWM,ARG,55.56,54.59 -1IWM,TYR,56.72,56.35 -1IWM,THR,58.6,60.63 -1IWM,ALA,51.52,51.72 -1IWM,ASP,53.58,54.6 -1IWM,ASP,53.22,52.94 -1IWM,ALA,54.79,55.21 -1IWM,GLU,59.48,59.7 -1IWM,GLU,58.92,58.47 -1IWM,MET,56.63,58.16 -1IWM,ILE,60.84,64.62 -1IWM,GLY,47.17,46.95 -1IWM,LYS,55.03,58.57 -1IWM,LEU,54.5,56.36 -1IWM,THR,59.93,61.35 -1IWM,GLY,45.28,45.54 -1IWM,MET,52.67,52.1 -1IWM,PRO,60.3,61.29 -1IWM,ILE,61.73,58.66 -1IWM,PRO,60.77,61.59 -1IWM,LEU,57.28,58.02 -1IWM,ASN,54.51,55.64 -1IWM,SER,60.45,60.21 -1IWM,LEU,56.89,57.24 -1IWM,ARG,55.93,57.61 -1IWM,GLN,54.35,57.44 -1IWM,TRP,62.61,57.02 -1IWM,LEU,54.24,52.47 -1IWM,GLY,45.11,44.2 -1IWM,LEU,52.15,50.18 -1IWM,PRO,62.83,63.61 -1IWM,GLY,46.84,46.16 -1IWM,ASP,52.24,53.88 -1IWM,ALA,52.63,53.16 -1IWM,THR,60.29,61.64 -1IWM,ASP,52.53,52.94 -1IWM,TYR,57.65,55.03 -1IWM,LYS,53.72,54.04 -1IWM,LEU,52.82,52.25 -1IWM,ASP,53.13,51.71 -1IWM,ASP,55.77,55.65 -1IWM,GLN,57.64,54.34 -1IWM,TYR,60.21,60.16 -1IWM,ARG,55.29,53.08 -1IWM,LEU,56.95,56.42 -1IWM,SER,54.79,58.65 -1IWM,GLU,57.71,54.86 -1IWM,ILE,61.7,60.62 -1IWM,THR,62.98,61.8 -1IWM,TYR,58.32,57.18 -1IWM,SER,56.05,56.56 -1IWM,GLN,53.08,55.19 -1IWM,GLY,45.89,45.26 -1IWM,LYS,52.55,54.31 -1IWM,ASN,53.87,52.31 -1IWM,TRP,59.52,57.03 -1IWM,LYS,53.12,54.31 -1IWM,VAL,61.6,59.99 -1IWM,VAL,61.92,60.53 -1IWM,TYR,58.11,57.41 -1IWM,GLY,43.66,45.2 -1IWM,GLY,46.08,44.96 -1IWM,TYR,59.26,58.16 -1IWM,ASP,53.27,53.21 -1IWM,THR,61.41,61.29 -1IWM,LYS,53.92,57.77 -1IWM,THR,59.05,60.72 -1IWM,GLN,51.53,51.93 -1IWM,PRO,62.67,62.11 -1IWM,ALA,53.07,52.43 -1IWM,MET,51.77,50.32 -1IWM,PRO,62.19,64.08 -1IWM,ALA,51.55,51.93 -1IWM,ASN,53.17,53.05 -1IWM,MET,55.93,54.92 -1IWM,GLU,56.09,54.83 -1IWM,LEU,56.82,54.35 -1IWM,THR,59.05,59.84 -1IWM,ASP,50.91,52.63 -1IWM,GLY,45.5,45.7 -1IWM,GLY,45.53,45.4 -1IWM,GLN,53.44,54.07 -1IWM,ARG,56.44,54.36 -1IWM,ILE,60.88,59.4 -1IWM,LYS,55.41,54.64 -1IWM,LEU,54.81,54.01 -1IWM,LYS,56.14,55.57 -1IWM,MET,58.28,57.27 -1IWM,ASP,55.96,55.63 -1IWM,ASN,52.16,53.03 -1IWM,TRP,56.68,57.5 -1IWM,ILE,62.04,61.39 -1IWM,VAL,58.46,58.28 -1JL1,ILE,60.97,59.3 -1JL1,PHE,56.52,55.5 -1JL1,THR,59.13,60.4 -1JL1,GLY,42.96,44.7 -1JL1,SER,58.09,57.7 -1JL1,ALA,52.6,51.4 -1JL1,LEU,55.05,54.2 -1JL1,GLY,45.13,43.9 -1JL1,ASN,45.64,50.3 -1JL1,GLY,43.25,44.9 -1JL1,GLY,44.24,45.0 -1JL1,GLY,44.9,46.4 -1JL1,TYR,55.15,54.9 -1JL1,GLY,44.54,44.9 -1JL1,ALA,52.69,50.7 -1JL1,ILE,61.2,60.1 -1JL1,LEU,55.15,54.4 -1JL1,ARG,54.97,54.8 -1JL1,TYR,60.39,56.8 -1JL1,ARG,52.91,56.9 -1JL1,GLY,45.86,45.3 -1JL1,ARG,52.72,54.5 -1JL1,GLU,55.13,54.6 -1JL1,LYS,52.01,54.8 -1JL1,THR,62.87,59.5 -1JL1,PHE,56.35,56.3 -1JL1,SER,58.69,57.9 -1JL1,ALA,53.55,52.0 -1JL1,GLY,43.15,44.1 -1JL1,TYR,57.55,55.7 -1JL1,THR,63.2,65.2 -1JL1,ARG,57.07,56.7 -1JL1,THR,61.07,60.0 -1JL1,ASN,54.06,57.5 -1JL1,ASN,55.64,55.6 -1JL1,ARG,59.2,60.7 -1JL1,MET,55.75,57.2 -1JL1,GLU,59.57,59.7 -1JL1,LEU,58.48,57.1 -1JL1,MET,56.04,57.3 -1JL1,ALA,54.88,55.2 -1JL1,ALA,54.45,54.7 -1JL1,ILE,64.91,66.0 -1JL1,VAL,64.93,65.9 -1JL1,ALA,54.83,54.4 -1JL1,LEU,56.99,57.0 -1JL1,GLU,58.8,58.2 -1JL1,ALA,53.39,52.8 -1JL1,LEU,55.35,54.3 -1JL1,LYS,54.25,55.9 -1JL1,GLU,55.92,54.2 -1JL1,HIS,58.23,56.4 -1JL1,GLU,56.77,55.4 -1JL1,VAL,61.72,59.7 -1JL1,ILE,57.03,59.8 -1JL1,LEU,55.45,54.7 -1JL1,SER,55.68,55.7 -1JL1,THR,61.2,60.3 -1JL1,ASP,53.96,52.7 -1JL1,SER,57.38,58.7 -1JL1,GLN,55.74,57.9 -1JL1,TYR,60.3,61.1 -1JL1,VAL,65.07,66.5 -1JL1,ARG,58.15,58.9 -1JL1,GLN,58.92,58.8 -1JL1,GLY,47.87,47.9 -1JL1,ILE,59.2,60.9 -1JL1,THR,60.95,63.8 -1JL1,GLN,56.14,56.8 -1JL1,TRP,59.96,57.5 -1JL1,ILE,61.71,66.1 -1JL1,HIS,56.12,58.8 -1JL1,ASN,55.32,55.2 -1JL1,TRP,63.76,57.5 -1JL1,LYS,59.92,59.9 -1JL1,LYS,59.79,58.2 -1JL1,ARG,57.26,54.9 -1JL1,GLY,46.67,47.2 -1JL1,TRP,59.71,58.1 -1JL1,LYS,55.99,53.8 -1JL1,THR,60.73,60.7 -1JL1,ALA,54.47,54.8 -1JL1,ASP,54.51,52.9 -1JL1,LYS,57.08,57.7 -1JL1,LYS,55.59,53.4 -1JL1,VAL,65.2,61.6 -1JL1,LYS,58.06,57.2 -1JL1,ASN,56.09,54.8 -1JL1,VAL,62.16,65.4 -1JL1,ASP,56.59,56.0 -1JL1,LEU,56.5,55.8 -1JL1,TRP,60.72,61.3 -1JL1,GLN,58.28,59.2 -1JL1,ARG,57.81,59.2 -1JL1,LEU,57.67,58.2 -1JL1,ASP,54.67,58.2 -1JL1,ALA,54.37,54.8 -1JL1,ALA,53.98,54.6 -1JL1,LEU,56.48,57.5 -1JL1,GLY,47.1,46.2 -1JL1,GLN,54.82,55.3 -1JL1,HIS,56.83,55.5 -1JL1,GLN,56.66,54.7 -1JL1,ILE,61.32,59.9 -1JL1,LYS,54.5,54.6 -1JL1,TRP,57.87,55.8 -1JL1,GLU,55.62,54.3 -1JL1,TRP,54.53,53.4 -1JL1,VAL,59.14,61.1 -1JL1,LYS,55.52,55.5 -1JL1,GLY,44.15,45.7 -1JL1,HIS,58.81,55.9 -1JL1,ALA,53.53,52.2 -1JL1,GLY,45.56,45.0 -1JL1,HIS,51.91,53.1 -1JL1,GLU,60.51,60.3 -1JL1,ASN,55.66,58.2 -1JL1,ASP,54.87,56.8 -1JL1,GLU,59.61,59.5 -1JL1,LEU,57.22,57.6 -1JL1,ALA,54.78,55.5 -1JL1,ARG,59.23,59.2 -1JL1,ALA,54.59,54.5 -1JL1,ALA,54.44,54.6 -1JL1,ALA,53.98,54.3 -1JL1,MET,55.32,55.4 -1JL1,ASN,51.61,51.2 -1JL1,THR,60.69,61.2 -1JL1,LEU,53.49,53.8 -1JL1,GLU,55.34,54.3 -1JL1,ASP,52.29,51.9 -1JL1,THR,65.93,64.2 -1JL1,GLY,45.91,44.7 -1JL1,TYR,60.19,58.7 -1JL1,GLN,53.7,54.1 -1JL1,VAL,65.14,62.4 -1KS9,LYS,55.38,55.18 -1KS9,ILE,62.15,60.41 -1KS9,THR,64.28,62.17 -1KS9,VAL,62.2,61.03 -1KS9,LEU,53.83,54.07 -1KS9,GLY,44.7,45.12 -1KS9,GLY,43.59,43.63 -1KS9,ALA,54.77,55.82 -1KS9,LEU,57.27,56.97 -1KS9,GLY,47.01,47.93 -1KS9,GLN,58.12,60.55 -1KS9,LEU,57.67,58.34 -1KS9,TRP,60.45,61.47 -1KS9,LEU,57.45,59.0 -1KS9,THR,67.32,66.76 -1KS9,ALA,54.25,54.95 -1KS9,LEU,56.93,58.12 -1KS9,LYS,57.97,59.53 -1KS9,GLN,54.82,54.15 -1KS9,GLY,45.52,45.52 -1KS9,HIS,57.05,56.62 -1KS9,GLU,57.71,56.18 -1KS9,VAL,58.7,58.21 -1KS9,GLN,53.32,52.92 -1KS9,GLY,42.7,43.4 -1KS9,TRP,58.22,57.8 -1KS9,LEU,53.48,57.77 -1KS9,PRO,62.1,64.02 -1KS9,GLN,54.22,52.75 -1KS9,PRO,62.52,63.94 -1KS9,TYR,56.58,55.14 -1KS9,SER,58.65,57.7 -1KS9,VAL,63.12,60.76 -1KS9,ASN,54.64,52.28 -1KS9,LEU,53.56,53.53 -1KS9,VAL,62.75,61.11 -1KS9,GLU,56.2,56.03 -1KS9,THR,63.46,64.67 -1KS9,ASP,54.78,52.87 -1KS9,GLY,45.02,44.78 -1KS9,SER,58.18,59.08 -1KS9,ILE,60.77,60.34 -1KS9,PHE,58.04,57.16 -1KS9,ASN,53.9,51.46 -1KS9,GLU,55.62,54.45 -1KS9,SER,58.7,57.08 -1KS9,LEU,53.14,52.88 -1KS9,THR,66.98,64.84 -1KS9,ALA,51.9,50.18 -1KS9,ASN,56.16,54.65 -1KS9,ASP,51.24,51.33 -1KS9,PRO,62.88,64.69 -1KS9,ASP,55.96,57.21 -1KS9,PHE,59.13,58.86 -1KS9,LEU,57.62,58.08 -1KS9,ALA,53.4,53.81 -1KS9,THR,59.91,59.18 -1KS9,SER,60.62,61.19 -1KS9,ASP,54.58,55.65 -1KS9,LEU,57.7,54.59 -1KS9,LEU,53.43,53.13 -1KS9,LEU,54.91,53.81 -1KS9,VAL,62.03,61.97 -1KS9,THR,60.05,60.02 -1KS9,LEU,54.39,53.23 -1KS9,LYS,53.57,54.78 -1KS9,ALA,54.77,55.46 -1KS9,TRP,56.5,55.27 -1KS9,GLN,56.33,54.88 -1KS9,VAL,65.65,67.07 -1KS9,SER,61.19,62.76 -1KS9,ASP,56.47,57.29 -1KS9,ALA,54.39,54.56 -1KS9,VAL,65.04,66.96 -1KS9,LYS,59.64,60.23 -1KS9,SER,61.27,60.76 -1KS9,LEU,55.06,55.92 -1KS9,ALA,53.84,55.08 -1KS9,SER,59.87,59.71 -1KS9,THR,64.53,63.28 -1KS9,LEU,54.33,52.66 -1KS9,PRO,62.19,63.26 -1KS9,VAL,59.75,64.67 -1KS9,THR,59.69,60.24 -1KS9,THR,63.67,61.75 -1KS9,ILE,61.17,59.52 -1KS9,LEU,53.93,52.23 -1KS9,LEU,53.98,53.71 -1KS9,ILE,60.71,62.54 -1KS9,HIS,56.24,58.05 -1KS9,ASN,52.12,52.93 -1KS9,GLY,43.8,45.06 -1KS9,MET,55.24,54.96 -1KS9,GLY,43.75,44.96 -1KS9,THR,62.17,62.88 -1KS9,ILE,58.78,63.35 -1KS9,GLU,60.34,59.77 -1KS9,GLU,57.68,56.94 -1KS9,LEU,54.15,53.36 -1KS9,GLN,55.97,58.54 -1KS9,ASN,53.31,53.07 -1KS9,ILE,58.41,59.49 -1KS9,GLN,57.63,56.94 -1KS9,GLN,57.11,56.82 -1KS9,PRO,62.13,62.09 -1KS9,LEU,54.1,53.1 -1KS9,LEU,53.91,52.83 -1KS9,MET,52.21,52.83 -1KS9,GLY,45.37,45.43 -1KS9,THR,61.05,59.71 -1KS9,THR,58.59,59.44 -1KS9,THR,60.52,60.5 -1KS9,HIS,59.07,59.97 -1KS9,ALA,51.47,50.54 -1KS9,ALA,52.27,50.55 -1KS9,ARG,54.8,54.1 -1KS9,ARG,54.28,55.54 -1KS9,ASP,51.86,52.95 -1KS9,GLY,46.99,46.99 -1KS9,ASN,53.34,53.27 -1KS9,VAL,62.21,60.44 -1KS9,ILE,57.32,57.03 -1KS9,ILE,62.13,58.95 -1KS9,HIS,55.51,52.75 -1KS9,VAL,64.52,64.11 -1KS9,ALA,53.21,51.61 -1KS9,ASN,54.18,52.4 -1KS9,GLY,46.34,45.15 -1KS9,ILE,57.99,58.22 -1KS9,THR,63.53,61.29 -1KS9,HIS,56.27,54.97 -1KS9,ILE,59.54,58.47 -1KS9,GLY,43.74,44.87 -1KS9,GLN,56.01,55.7 -1KS9,ASP,54.71,55.6 -1KS9,GLY,46.07,44.97 -1KS9,ASP,55.61,53.33 -1KS9,TYR,58.31,58.76 -1KS9,LEU,56.81,56.34 -1KS9,ALA,53.84,55.19 -1KS9,ASP,56.31,57.08 -1KS9,ILE,64.61,64.12 -1KS9,LEU,56.47,57.5 -1KS9,GLN,56.24,58.24 -1KS9,THR,62.38,63.18 -1KS9,VAL,62.91,63.7 -1KS9,LEU,51.56,50.88 -1KS9,PRO,62.11,60.23 -1KS9,ASP,53.6,56.03 -1KS9,VAL,61.89,60.97 -1KS9,ALA,51.34,50.35 -1KS9,TRP,55.86,56.03 -1KS9,HIS,55.66,54.0 -1KS9,ILE,57.49,59.39 -1KS9,ARG,59.08,60.23 -1KS9,ALA,54.97,55.29 -1KS9,GLU,58.8,57.29 -1KS9,LEU,56.9,57.4 -1KS9,TRP,60.96,61.18 -1KS9,ARG,58.44,60.02 -1KS9,LYS,59.43,57.71 -1KS9,LEU,57.17,58.34 -1KS9,ALA,54.92,56.03 -1KS9,VAL,64.91,65.6 -1KS9,ASN,53.44,57.08 -1KS9,VAL,63.33,63.7 -1KS9,ILE,64.51,65.39 -1KS9,ASN,51.64,58.66 -1KS9,PRO,63.13,65.6 -1KS9,LEU,57.46,57.5 -1KS9,THR,63.92,64.54 -1KS9,ALA,54.47,54.87 -1KS9,ILE,62.84,63.6 -1KS9,TRP,59.92,55.92 -1KS9,ASN,52.98,53.37 -1KS9,PRO,61.5,61.75 -1KS9,ASN,54.48,56.47 -1KS9,GLY,46.75,46.57 -1KS9,GLU,57.54,57.13 -1KS9,LEU,60.4,57.6 -1KS9,ARG,56.45,58.45 -1KS9,HIS,56.27,55.15 -1KS9,HIS,52.13,53.55 -1KS9,PRO,63.14,65.46 -1KS9,GLN,60.44,59.3 -1KS9,GLU,58.49,60.19 -1KS9,ILE,64.37,65.76 -1KS9,MET,57.19,57.72 -1KS9,GLN,59.82,58.99 -1KS9,ILE,64.16,65.06 -1KS9,GLU,57.84,59.77 -1KS9,GLU,59.33,58.83 -1KS9,VAL,64.99,66.33 -1KS9,ALA,54.4,54.87 -1KS9,ALA,54.39,54.66 -1KS9,VAL,64.57,65.91 -1KS9,ILE,64.07,65.91 -1KS9,GLU,59.03,58.76 -1KS9,ARG,53.82,56.13 -1KS9,GLU,57.47,56.13 -1KS9,GLY,43.89,44.49 -1KS9,HIS,54.84,53.62 -1KS9,THR,60.81,60.88 -1KS9,SER,54.3,56.87 -1KS9,ALA,54.63,55.61 -1KS9,GLU,59.47,60.23 -1KS9,ASP,56.5,57.24 -1KS9,LEU,57.65,57.61 -1KS9,ARG,58.54,59.92 -1KS9,ASP,56.5,57.5 -1KS9,TYR,60.05,59.54 -1KS9,VAL,64.99,66.65 -1KS9,MET,55.78,57.08 -1KS9,GLN,58.39,58.66 -1KS9,VAL,64.88,66.44 -1KS9,ILE,63.78,66.44 -1KS9,ASP,55.76,57.29 -1KS9,ALA,53.53,53.69 -1KS9,THR,59.76,59.92 -1KS9,ALA,55.02,55.4 -1KS9,GLU,59.84,55.83 -1KS9,ASN,54.72,53.18 -1KS9,ILE,57.58,56.51 -1KS9,SER,59.78,58.73 -1KS9,MET,56.98,58.64 -1KS9,LEU,57.38,57.41 -1KS9,GLN,58.0,59.62 -1KS9,ASP,56.31,58.54 -1KS9,ILE,59.45,62.65 -1KS9,ARG,58.89,59.18 -1KS9,ALA,52.02,50.96 -1KS9,LEU,55.91,54.87 -1KS9,ARG,53.32,54.21 -1KS9,HIS,58.96,56.94 -1KS9,THR,58.94,61.67 -1KS9,GLU,56.7,56.42 -1KS9,ILE,57.81,63.51 -1KS9,ASP,55.9,58.2 -1KS9,TYR,57.27,57.92 -1KS9,ILE,60.66,60.02 -1KS9,ASN,53.64,57.01 -1KS9,GLY,46.98,47.95 -1KS9,PHE,59.72,61.14 -1KS9,LEU,57.3,57.71 -1KS9,LEU,57.23,58.3 -1KS9,ARG,59.48,59.79 -1KS9,ARG,55.84,55.56 -1KS9,ALA,54.49,55.92 -1KS9,ARG,56.27,58.47 -1KS9,ALA,53.85,54.6 -1KS9,HIS,56.63,56.01 -1KS9,GLY,47.51,46.31 -1KS9,ILE,57.38,59.27 -1KS9,ALA,53.16,52.3 -1KS9,VAL,55.23,57.33 -1KS9,PRO,63.13,65.63 -1KS9,GLU,57.27,58.71 -1KS9,ASN,55.76,58.42 -1KS9,THR,63.51,67.58 -1KS9,ARG,58.75,59.29 -1KS9,LEU,56.99,57.75 -1KS9,PHE,59.71,61.66 -1KS9,GLU,59.24,58.92 -1KS9,MET,59.25,59.11 -1KS9,VAL,65.06,67.5 -1KS9,LYS,55.79,57.51 -1KS9,ARG,58.91,59.02 -1KS9,LYS,59.49,58.92 -1KS9,GLU,59.48,58.36 -1KS9,SER,58.07,60.55