REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1v3i_1_A DATA FIRST_RESID 6 DATA SEQUENCE NMLLNYVPVY VMLPLGVVNV DNVFEDPDGL KEQLLQLRAA GVDGVMVDVW DATA SEQUENCE WGIIELKGPK QYDWRAYRSL LQLVQECGLT LQAIMSFHQC GGNVGDIVNI DATA SEQUENCE PIPQWVLDIG ESNHDIFYTN RSGTRNKEYL TVGVDNEPIF HGRTAIEIYS DATA SEQUENCE DYMKSFRENM SDFLESGLII DIEVGLGPAG ELRYPSYPQS QGWEFPGIGE DATA SEQUENCE FQCYDKYLKA DFKAAVARAG HPEWELPDDA GKYNDVPEST GFFKSNGTYV DATA SEQUENCE TEKGKFFLTW YSNKLLNHGD QILDEANKAF LGCKVKLAIK VSGIHWWYKV DATA SEQUENCE ENHAAELTAG YYNLNDRDGY RPIARMLSRH HAILNFTCLE MRDSEQPSDA DATA SEQUENCE KSGPQELVQQ VLSGGWREDI RVAGQNALPR YDATAYNQII LNARPQGVNN DATA SEQUENCE NGPPKLSMFG VTYLRLSDDL LQKSNFNIFK KFVLKMHADQ DYCANPQKYN DATA SEQUENCE HAITPLKPSA PKIPIEVLLE ATKPTLPFPW LPETDMKVDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.496 175.510 -0.024 0.000 1.280 6 N CA 0.000 53.035 53.050 -0.025 0.000 0.885 6 N CB 0.000 38.471 38.487 -0.027 0.000 1.341 7 M N 2.102 121.687 119.600 -0.025 0.000 2.267 7 M HA -0.038 4.442 4.480 0.001 0.000 0.263 7 M C 1.838 178.129 176.300 -0.015 0.000 1.063 7 M CA 1.065 56.349 55.300 -0.025 0.000 1.090 7 M CB -0.676 31.907 32.600 -0.028 0.000 1.392 7 M HN 0.580 nan 8.290 nan 0.000 0.422 8 L N -0.561 120.654 121.223 -0.013 0.000 2.261 8 L HA -0.229 4.111 4.340 0.001 0.000 0.216 8 L C 1.997 178.876 176.870 0.015 0.000 1.114 8 L CA 0.477 55.312 54.840 -0.008 0.000 0.777 8 L CB -0.492 41.540 42.059 -0.045 0.000 0.910 8 L HN 0.222 nan 8.230 nan 0.000 0.440 9 L N -0.403 120.827 121.223 0.012 0.000 2.456 9 L HA -0.138 4.203 4.340 0.001 0.000 0.224 9 L C 1.846 178.728 176.870 0.020 0.000 1.148 9 L CA 1.421 56.278 54.840 0.029 0.000 0.825 9 L CB -0.833 41.231 42.059 0.009 0.000 0.937 9 L HN 0.315 nan 8.230 nan 0.000 0.450 10 N N -2.056 116.640 118.700 -0.005 0.000 2.280 10 N HA -0.063 4.677 4.740 0.001 0.000 0.192 10 N C -0.027 175.452 175.510 -0.052 0.000 1.109 10 N CA -0.072 52.957 53.050 -0.035 0.000 0.855 10 N CB 0.403 38.856 38.487 -0.056 0.000 0.974 10 N HN 0.197 nan 8.380 nan 0.000 0.482 11 Y N 2.111 122.262 120.300 -0.249 0.000 2.569 11 Y HA 0.048 4.599 4.550 0.001 0.000 0.332 11 Y C -0.185 175.412 175.900 -0.506 0.000 1.120 11 Y CA 0.086 57.924 58.100 -0.437 0.000 1.416 11 Y CB 0.436 38.468 38.460 -0.713 0.000 1.210 11 Y HN -0.287 nan 8.280 nan 0.000 0.528 12 V N 9.651 129.351 119.914 -0.356 0.000 2.378 12 V HA 0.331 4.452 4.120 0.001 0.000 0.288 12 V C -2.103 173.788 176.094 -0.338 0.000 1.016 12 V CA -2.061 60.088 62.300 -0.253 0.000 0.840 12 V CB 1.396 33.136 31.823 -0.137 0.000 0.994 12 V HN 0.708 nan 8.190 nan 0.000 0.431 13 P HA 0.206 nan 4.420 nan 0.000 0.271 13 P C -0.831 176.246 177.300 -0.372 0.000 1.218 13 P CA 0.026 62.973 63.100 -0.255 0.000 0.780 13 P CB 1.527 33.123 31.700 -0.173 0.000 0.901 14 V N 3.784 123.420 119.914 -0.463 0.000 2.495 14 V HA 0.373 4.493 4.120 0.001 0.000 0.298 14 V C -0.500 175.329 176.094 -0.442 0.000 1.031 14 V CA -0.376 61.699 62.300 -0.375 0.000 0.871 14 V CB 1.026 32.599 31.823 -0.417 0.000 0.988 14 V HN 0.434 nan 8.190 nan 0.000 0.432 15 Y N 2.464 122.882 120.300 0.197 0.000 2.562 15 Y HA 0.770 5.320 4.550 0.001 0.000 0.343 15 Y C -0.103 175.973 175.900 0.293 0.000 1.025 15 Y CA -1.116 57.112 58.100 0.213 0.000 1.082 15 Y CB 2.163 40.728 38.460 0.174 0.000 1.264 15 Y HN 0.325 nan 8.280 nan 0.000 0.478 16 V N 3.326 123.494 119.914 0.422 0.000 2.540 16 V HA 0.373 4.494 4.120 0.001 0.000 0.302 16 V C -0.241 176.018 176.094 0.275 0.000 1.035 16 V CA -1.098 61.437 62.300 0.392 0.000 0.873 16 V CB 1.750 33.779 31.823 0.344 0.000 0.992 16 V HN 0.736 nan 8.190 nan 0.000 0.428 17 M N 4.774 124.510 119.600 0.227 0.000 2.217 17 M HA 0.387 4.868 4.480 0.001 0.000 0.354 17 M C -0.351 176.028 176.300 0.131 0.000 1.225 17 M CA 0.040 55.426 55.300 0.143 0.000 1.137 17 M CB 0.617 33.271 32.600 0.091 0.000 1.576 17 M HN 0.428 nan 8.290 nan 0.000 0.461 18 L N 3.387 124.678 121.223 0.114 0.000 2.456 18 L HA 0.373 4.713 4.340 0.001 0.000 0.257 18 L C -2.038 174.902 176.870 0.116 0.000 1.162 18 L CA -1.997 52.909 54.840 0.111 0.000 0.808 18 L CB 0.167 42.286 42.059 0.101 0.000 1.136 18 L HN 0.340 nan 8.230 nan 0.000 0.466 19 P HA 0.081 nan 4.420 nan 0.000 0.269 19 P C -0.756 176.642 177.300 0.162 0.000 1.215 19 P CA -0.159 63.013 63.100 0.120 0.000 0.780 19 P CB 0.421 32.183 31.700 0.103 0.000 0.898 20 L N 1.546 122.874 121.223 0.175 0.000 2.426 20 L HA 0.346 4.687 4.340 0.001 0.000 0.271 20 L C 1.625 178.613 176.870 0.196 0.000 1.169 20 L CA 0.449 55.445 54.840 0.260 0.000 0.836 20 L CB -0.447 41.748 42.059 0.228 0.000 1.112 20 L HN 0.764 nan 8.230 nan 0.000 0.465 21 G N 1.829 110.777 108.800 0.247 0.000 2.143 21 G HA2 -0.273 3.688 3.960 0.001 0.000 0.248 21 G HA3 -0.273 3.688 3.960 0.001 0.000 0.248 21 G C 0.695 175.677 174.900 0.137 0.000 0.991 21 G CA 0.371 45.550 45.100 0.131 0.000 0.689 21 G HN 0.591 nan 8.290 nan 0.000 0.522 22 V N -0.743 119.272 119.914 0.167 0.000 2.568 22 V HA 0.108 4.229 4.120 0.001 0.000 0.253 22 V C 1.256 177.447 176.094 0.161 0.000 1.072 22 V CA 2.204 64.603 62.300 0.164 0.000 1.084 22 V CB 0.068 31.971 31.823 0.133 0.000 0.676 22 V HN 0.547 nan 8.190 nan 0.000 0.469 23 V N 2.888 122.846 119.914 0.074 0.000 2.350 23 V HA 0.374 4.495 4.120 0.001 0.000 0.285 23 V C -0.050 176.087 176.094 0.072 0.000 1.014 23 V CA -0.644 61.657 62.300 0.002 0.000 0.831 23 V CB 1.421 33.051 31.823 -0.320 0.000 1.000 23 V HN 0.786 nan 8.190 nan 0.000 0.433 24 N N 4.099 122.838 118.700 0.066 0.000 2.317 24 N HA 0.077 4.817 4.740 0.001 0.000 0.245 24 N C 0.982 176.506 175.510 0.024 0.000 1.294 24 N CA -0.192 52.878 53.050 0.034 0.000 0.924 24 N CB 0.830 39.333 38.487 0.026 0.000 1.186 24 N HN 0.211 nan 8.380 nan 0.000 0.495 25 V N -0.507 119.396 119.914 -0.018 0.000 2.828 25 V HA -0.162 3.959 4.120 0.001 0.000 0.260 25 V C 0.424 176.522 176.094 0.006 0.000 1.101 25 V CA 1.808 64.090 62.300 -0.030 0.000 1.123 25 V CB -0.798 30.985 31.823 -0.067 0.000 0.704 25 V HN 0.615 nan 8.190 nan 0.000 0.493 26 D N 0.343 120.754 120.400 0.019 0.000 2.328 26 D HA 0.054 4.695 4.640 0.001 0.000 0.221 26 D C 0.735 177.067 176.300 0.052 0.000 1.072 26 D CA 0.176 54.194 54.000 0.030 0.000 0.850 26 D CB -0.177 40.638 40.800 0.024 0.000 0.922 26 D HN 0.506 nan 8.370 nan 0.000 0.516 27 N N 0.509 119.251 118.700 0.070 0.000 2.780 27 N HA -0.169 4.572 4.740 0.001 0.000 0.247 27 N C -1.458 174.103 175.510 0.085 0.000 1.076 27 N CA 0.219 53.328 53.050 0.097 0.000 0.688 27 N CB -1.309 37.244 38.487 0.109 0.000 0.957 27 N HN -0.049 nan 8.380 nan 0.000 0.551 28 V N 1.980 121.940 119.914 0.078 0.000 2.588 28 V HA 0.401 4.521 4.120 0.001 0.000 0.304 28 V C 0.121 176.305 176.094 0.150 0.000 1.042 28 V CA -0.956 61.402 62.300 0.097 0.000 0.877 28 V CB 1.548 33.411 31.823 0.068 0.000 0.996 28 V HN 0.205 nan 8.190 nan 0.000 0.425 29 F N 4.126 124.058 119.950 -0.031 0.000 2.566 29 F HA 0.333 4.861 4.527 0.001 0.000 0.349 29 F C 1.333 177.122 175.800 -0.019 0.000 1.245 29 F CA -0.621 57.352 58.000 -0.045 0.000 1.169 29 F CB -0.399 38.575 39.000 -0.043 0.000 1.470 29 F HN 0.758 nan 8.300 nan 0.000 0.634 30 E N 1.831 122.100 120.200 0.115 0.000 2.045 30 E HA -0.277 4.074 4.350 0.001 0.000 0.212 30 E C 0.129 176.626 176.600 -0.172 0.000 1.039 30 E CA 1.904 58.288 56.400 -0.027 0.000 0.860 30 E CB -0.006 29.709 29.700 0.023 0.000 0.776 30 E HN 0.472 nan 8.360 nan 0.000 0.467 31 D N -1.017 119.250 120.400 -0.223 0.000 2.434 31 D HA 0.145 4.785 4.640 0.001 0.000 0.275 31 D C -2.178 173.866 176.300 -0.427 0.000 1.172 31 D CA -2.078 51.768 54.000 -0.255 0.000 0.916 31 D CB 1.089 41.825 40.800 -0.106 0.000 1.041 31 D HN -0.188 nan 8.370 nan 0.000 0.501 32 P HA -0.058 nan 4.420 nan 0.000 0.215 32 P C 0.834 177.994 177.300 -0.233 0.000 1.157 32 P CA 0.760 63.429 63.100 -0.718 0.000 0.863 32 P CB 0.400 31.699 31.700 -0.669 0.000 0.787 33 D N -0.763 119.531 120.400 -0.177 0.000 2.144 33 D HA -0.092 4.549 4.640 0.001 0.000 0.199 33 D C 2.207 178.472 176.300 -0.058 0.000 0.984 33 D CA 1.637 55.586 54.000 -0.086 0.000 0.834 33 D CB -0.907 39.849 40.800 -0.074 0.000 0.955 33 D HN 0.196 nan 8.370 nan 0.000 0.465 34 G N 1.226 109.984 108.800 -0.070 0.000 2.404 34 G HA2 -0.172 3.789 3.960 0.001 0.000 0.215 34 G HA3 -0.172 3.789 3.960 0.001 0.000 0.215 34 G C 1.710 176.604 174.900 -0.011 0.000 1.174 34 G CA -0.006 45.070 45.100 -0.040 0.000 0.780 34 G HN 0.208 nan 8.290 nan 0.000 0.537 35 L N 0.184 121.413 121.223 0.011 0.000 2.017 35 L HA -0.050 4.290 4.340 0.001 0.000 0.208 35 L C 2.885 179.795 176.870 0.065 0.000 1.073 35 L CA 1.882 56.767 54.840 0.075 0.000 0.745 35 L CB -0.330 41.846 42.059 0.196 0.000 0.894 35 L HN 0.283 nan 8.230 nan 0.000 0.432 36 K N 0.152 120.585 120.400 0.055 0.000 2.034 36 K HA -0.280 4.041 4.320 0.001 0.000 0.214 36 K C 1.829 178.446 176.600 0.028 0.000 1.051 36 K CA 2.209 58.526 56.287 0.050 0.000 0.931 36 K CB -0.132 32.389 32.500 0.034 0.000 0.715 36 K HN 0.393 nan 8.250 nan 0.000 0.446 37 E N 0.121 120.325 120.200 0.007 0.000 2.118 37 E HA -0.233 4.118 4.350 0.001 0.000 0.195 37 E C 2.304 178.893 176.600 -0.018 0.000 0.992 37 E CA 1.431 57.827 56.400 -0.007 0.000 0.804 37 E CB -0.003 29.684 29.700 -0.021 0.000 0.741 37 E HN 0.464 nan 8.360 nan 0.000 0.458 38 Q N 0.095 119.883 119.800 -0.019 0.000 2.046 38 Q HA -0.166 4.175 4.340 0.001 0.000 0.200 38 Q C 2.234 178.231 176.000 -0.005 0.000 0.975 38 Q CA 0.849 56.628 55.803 -0.040 0.000 0.836 38 Q CB -0.059 28.664 28.738 -0.025 0.000 0.896 38 Q HN 0.164 nan 8.270 nan 0.000 0.428 39 L N 0.553 121.795 121.223 0.032 0.000 2.042 39 L HA -0.187 4.153 4.340 0.001 0.000 0.210 39 L C 2.113 179.013 176.870 0.050 0.000 1.076 39 L CA 1.595 56.469 54.840 0.055 0.000 0.749 39 L CB -0.735 41.365 42.059 0.069 0.000 0.893 39 L HN 0.242 nan 8.230 nan 0.000 0.432 40 L N -1.437 119.809 121.223 0.038 0.000 2.131 40 L HA -0.208 4.133 4.340 0.001 0.000 0.210 40 L C 2.621 179.523 176.870 0.053 0.000 1.092 40 L CA 0.734 55.597 54.840 0.038 0.000 0.759 40 L CB -0.504 41.572 42.059 0.028 0.000 0.903 40 L HN 0.361 nan 8.230 nan 0.000 0.435 41 Q N -0.330 119.497 119.800 0.045 0.000 2.050 41 Q HA -0.177 4.164 4.340 0.001 0.000 0.202 41 Q C 2.339 178.487 176.000 0.247 0.000 0.980 41 Q CA 1.307 57.163 55.803 0.089 0.000 0.840 41 Q CB -0.286 28.385 28.738 -0.112 0.000 0.898 41 Q HN 0.358 nan 8.270 nan 0.000 0.424 42 L N 0.696 122.033 121.223 0.189 0.000 2.017 42 L HA -0.175 4.165 4.340 0.001 0.000 0.208 42 L C 2.515 179.455 176.870 0.117 0.000 1.073 42 L CA 1.586 56.564 54.840 0.231 0.000 0.745 42 L CB -0.994 41.166 42.059 0.168 0.000 0.894 42 L HN 0.135 nan 8.230 nan 0.000 0.432 43 R N 0.316 120.845 120.500 0.047 0.000 2.083 43 R HA -0.127 4.213 4.340 0.001 0.000 0.237 43 R C 2.140 178.404 176.300 -0.061 0.000 1.137 43 R CA 1.840 57.908 56.100 -0.053 0.000 0.951 43 R CB -0.839 29.443 30.300 -0.030 0.000 0.851 43 R HN 0.307 nan 8.270 nan 0.000 0.434 44 A N -0.063 122.770 122.820 0.023 0.000 2.019 44 A HA 0.051 4.372 4.320 0.001 0.000 0.219 44 A C 2.158 179.753 177.584 0.018 0.000 1.164 44 A CA 1.505 53.560 52.037 0.031 0.000 0.644 44 A CB -0.745 18.300 19.000 0.074 0.000 0.805 44 A HN 0.483 nan 8.150 nan 0.000 0.449 45 A N -1.783 121.063 122.820 0.042 0.000 2.238 45 A HA 0.405 4.725 4.320 0.001 0.000 0.208 45 A C 1.772 179.296 177.584 -0.101 0.000 1.177 45 A CA 1.182 53.189 52.037 -0.050 0.000 0.804 45 A CB -0.895 18.086 19.000 -0.033 0.000 0.823 45 A HN 1.839 nan 8.150 nan 0.000 0.482 46 G N -1.456 107.287 108.800 -0.094 0.000 2.143 46 G HA2 -0.202 3.759 3.960 0.001 0.000 0.249 46 G HA3 -0.202 3.759 3.960 0.001 0.000 0.249 46 G C 0.201 175.069 174.900 -0.054 0.000 0.981 46 G CA 0.096 45.149 45.100 -0.078 0.000 0.665 46 G HN 0.743 nan 8.290 nan 0.000 0.528 47 V N 1.417 121.280 119.914 -0.086 0.000 2.585 47 V HA 0.120 4.240 4.120 0.001 0.000 0.296 47 V C 1.535 177.610 176.094 -0.031 0.000 1.035 47 V CA 0.727 63.015 62.300 -0.021 0.000 1.084 47 V CB 1.127 33.016 31.823 0.110 0.000 0.953 47 V HN 0.379 nan 8.190 nan 0.000 0.483 48 D N 3.074 123.498 120.400 0.039 0.000 2.149 48 D HA 0.094 4.735 4.640 0.001 0.000 0.201 48 D C 0.773 177.182 176.300 0.182 0.000 0.972 48 D CA 1.517 55.603 54.000 0.143 0.000 0.835 48 D CB 0.602 41.414 40.800 0.020 0.000 0.966 48 D HN 0.738 nan 8.370 nan 0.000 0.476 49 G N -0.366 108.565 108.800 0.218 0.000 2.554 49 G HA2 0.461 4.422 3.960 0.001 0.000 0.306 49 G HA3 0.461 4.422 3.960 0.001 0.000 0.306 49 G C -1.409 173.733 174.900 0.405 0.000 1.320 49 G CA -0.190 45.148 45.100 0.398 0.000 0.800 49 G HN 0.086 nan 8.290 nan 0.000 0.481 50 V N -2.746 117.354 119.914 0.310 0.000 3.102 50 V HA 0.904 5.025 4.120 0.001 0.000 0.312 50 V C -0.347 175.835 176.094 0.147 0.000 1.135 50 V CA -1.067 61.374 62.300 0.234 0.000 1.022 50 V CB 1.988 33.906 31.823 0.159 0.000 1.056 50 V HN 1.093 nan 8.190 nan 0.000 0.436 51 M N 2.666 122.336 119.600 0.117 0.000 2.393 51 M HA 0.858 5.339 4.480 0.001 0.000 0.316 51 M C -1.958 174.359 176.300 0.028 0.000 1.087 51 M CA -0.683 54.638 55.300 0.035 0.000 0.937 51 M CB 1.990 34.607 32.600 0.027 0.000 1.668 51 M HN 0.833 nan 8.290 nan 0.000 0.438 52 V N 3.844 123.749 119.914 -0.015 0.000 2.925 52 V HA 0.479 4.600 4.120 0.001 0.000 0.311 52 V C -1.333 174.688 176.094 -0.122 0.000 1.104 52 V CA -0.657 61.637 62.300 -0.010 0.000 0.954 52 V CB 2.610 34.469 31.823 0.059 0.000 1.022 52 V HN 0.904 nan 8.190 nan 0.000 0.427 53 D N 3.418 123.693 120.400 -0.210 0.000 2.277 53 D HA 0.310 4.951 4.640 0.001 0.000 0.249 53 D C -0.568 175.414 176.300 -0.531 0.000 1.134 53 D CA 0.111 53.735 54.000 -0.627 0.000 0.863 53 D CB 2.034 42.026 40.800 -1.348 0.000 1.143 53 D HN 0.319 nan 8.370 nan 0.000 0.458 54 V N 3.991 123.570 119.914 -0.558 0.000 2.240 54 V HA 0.110 4.231 4.120 0.001 0.000 0.265 54 V C -0.300 175.613 176.094 -0.302 0.000 1.073 54 V CA -0.919 61.060 62.300 -0.536 0.000 0.857 54 V CB -0.309 31.229 31.823 -0.474 0.000 1.114 54 V HN 0.444 nan 8.190 nan 0.000 0.469 55 W N 3.483 124.797 121.300 0.024 0.000 2.489 55 W HA 0.099 4.761 4.660 0.003 0.000 0.327 55 W C 1.078 177.687 176.519 0.150 0.000 1.436 55 W CA -0.197 57.178 57.345 0.050 0.000 1.315 55 W CB 0.316 29.828 29.460 0.086 0.000 1.373 55 W HN 0.779 nan 8.180 nan 0.000 0.557 56 W N 3.584 124.923 121.300 0.065 0.000 2.342 56 W HA -0.145 4.517 4.660 0.004 0.000 0.297 56 W C 1.925 178.531 176.519 0.144 0.000 1.213 56 W CA 2.169 59.498 57.345 -0.026 0.000 1.251 56 W CB -0.820 28.543 29.460 -0.162 0.000 1.136 56 W HN 0.407 nan 8.180 nan 0.000 0.526 57 G N 0.352 109.189 108.800 0.061 0.000 2.470 57 G HA2 -0.196 3.765 3.960 0.001 0.000 0.220 57 G HA3 -0.196 3.765 3.960 0.001 0.000 0.220 57 G C 1.514 176.398 174.900 -0.027 0.000 1.121 57 G CA 1.205 46.209 45.100 -0.160 0.000 0.766 57 G HN 0.385 nan 8.290 nan 0.000 0.553 58 I N -0.337 120.315 120.570 0.138 0.000 2.628 58 I HA 0.125 4.295 4.170 0.001 0.000 0.255 58 I C 2.424 178.641 176.117 0.166 0.000 1.119 58 I CA 0.257 61.651 61.300 0.158 0.000 1.448 58 I CB 0.013 38.178 38.000 0.275 0.000 1.133 58 I HN 0.081 nan 8.210 nan 0.000 0.438 59 I N 0.494 121.195 120.570 0.219 0.000 2.233 59 I HA -0.209 3.962 4.170 0.001 0.000 0.243 59 I C 1.785 177.990 176.117 0.147 0.000 1.093 59 I CA 1.350 62.714 61.300 0.106 0.000 1.380 59 I CB 0.030 38.000 38.000 -0.050 0.000 1.067 59 I HN 0.160 nan 8.210 nan 0.000 0.413 60 E N 0.990 121.374 120.200 0.306 0.000 2.542 60 E HA 0.039 4.390 4.350 0.001 0.000 0.224 60 E C 1.350 178.107 176.600 0.262 0.000 1.110 60 E CA -0.193 56.390 56.400 0.305 0.000 1.350 60 E CB 0.361 30.448 29.700 0.646 0.000 1.302 60 E HN 0.221 nan 8.360 nan 0.000 0.435 61 L N 1.043 122.348 121.223 0.136 0.000 2.027 61 L HA -0.075 4.266 4.340 0.001 0.000 0.206 61 L C 2.125 179.109 176.870 0.190 0.000 1.074 61 L CA 1.899 56.808 54.840 0.115 0.000 0.745 61 L CB -0.240 41.849 42.059 0.049 0.000 0.898 61 L HN 0.097 nan 8.230 nan 0.000 0.433 62 K N -1.004 119.450 120.400 0.090 0.000 2.103 62 K HA 0.049 4.370 4.320 0.001 0.000 0.207 62 K C 0.665 177.245 176.600 -0.035 0.000 1.048 62 K CA 1.051 57.357 56.287 0.032 0.000 0.930 62 K CB -0.139 32.349 32.500 -0.020 0.000 0.716 62 K HN 0.562 nan 8.250 nan 0.000 0.444 63 G N -1.056 107.634 108.800 -0.183 0.000 2.320 63 G HA2 0.177 4.137 3.960 0.001 0.000 0.296 63 G HA3 0.177 4.137 3.960 0.001 0.000 0.296 63 G C -3.101 171.221 174.900 -0.963 0.000 1.306 63 G CA -1.199 43.489 45.100 -0.687 0.000 0.836 63 G HN -0.215 nan 8.290 nan 0.000 0.517 64 P HA 0.212 nan 4.420 nan 0.000 0.262 64 P C -0.004 177.000 177.300 -0.492 0.000 1.199 64 P CA 0.581 63.130 63.100 -0.918 0.000 0.763 64 P CB 0.356 31.583 31.700 -0.789 0.000 0.790 65 K N 0.856 120.988 120.400 -0.446 0.000 3.209 65 K HA -0.213 4.107 4.320 0.001 0.000 0.289 65 K C -0.152 176.019 176.600 -0.715 0.000 1.191 65 K CA 0.589 56.483 56.287 -0.656 0.000 0.851 65 K CB -1.167 31.229 32.500 -0.174 0.000 1.242 65 K HN 0.593 nan 8.250 nan 0.000 0.480 66 Q N 0.812 120.253 119.800 -0.599 0.000 3.091 66 Q HA 0.127 4.468 4.340 0.001 0.000 0.301 66 Q C -0.745 175.089 176.000 -0.278 0.000 1.337 66 Q CA 0.142 55.749 55.803 -0.325 0.000 1.083 66 Q CB -0.029 28.579 28.738 -0.216 0.000 1.477 66 Q HN 0.190 nan 8.270 nan 0.000 0.537 67 Y N 0.214 120.508 120.300 -0.011 0.000 2.309 67 Y HA 0.241 4.792 4.550 0.001 0.000 0.327 67 Y C 0.636 176.405 175.900 -0.219 0.000 1.172 67 Y CA -0.888 57.094 58.100 -0.197 0.000 1.280 67 Y CB 0.789 39.078 38.460 -0.285 0.000 1.234 67 Y HN 0.138 nan 8.280 nan 0.000 0.512 68 D N 2.159 122.460 120.400 -0.166 0.000 2.421 68 D HA 0.184 4.825 4.640 0.001 0.000 0.254 68 D C -1.024 175.239 176.300 -0.063 0.000 1.238 68 D CA -0.876 53.103 54.000 -0.034 0.000 0.919 68 D CB 0.279 41.101 40.800 0.036 0.000 1.152 68 D HN 0.584 nan 8.370 nan 0.000 0.552 69 W N 2.813 124.237 121.300 0.207 0.000 3.278 69 W HA 0.252 4.913 4.660 0.003 0.000 0.308 69 W C 1.989 178.632 176.519 0.206 0.000 1.253 69 W CA -0.512 56.957 57.345 0.207 0.000 1.759 69 W CB 0.383 29.910 29.460 0.113 0.000 1.093 69 W HN 0.250 nan 8.180 nan 0.000 0.648 70 R N 0.981 121.685 120.500 0.340 0.000 2.094 70 R HA -0.215 4.126 4.340 0.001 0.000 0.239 70 R C 2.398 178.836 176.300 0.229 0.000 1.137 70 R CA 2.017 58.270 56.100 0.255 0.000 0.943 70 R CB -0.968 29.443 30.300 0.185 0.000 0.850 70 R HN 0.199 nan 8.270 nan 0.000 0.433 71 A N 0.318 123.257 122.820 0.198 0.000 1.908 71 A HA -0.195 4.125 4.320 0.001 0.000 0.218 71 A C 1.931 179.505 177.584 -0.017 0.000 1.181 71 A CA 1.343 53.441 52.037 0.101 0.000 0.627 71 A CB -0.773 18.253 19.000 0.044 0.000 0.818 71 A HN 0.367 nan 8.150 nan 0.000 0.445 72 Y N -0.330 120.048 120.300 0.131 0.000 2.352 72 Y HA -0.106 4.445 4.550 0.002 0.000 0.292 72 Y C 2.635 178.554 175.900 0.032 0.000 1.136 72 Y CA 1.469 59.619 58.100 0.083 0.000 1.227 72 Y CB -0.145 38.472 38.460 0.262 0.000 0.991 72 Y HN 0.235 nan 8.280 nan 0.000 0.545 73 R N -0.961 119.693 120.500 0.257 0.000 2.092 73 R HA -0.115 4.226 4.340 0.001 0.000 0.231 73 R C 2.336 178.734 176.300 0.164 0.000 1.119 73 R CA 1.416 57.669 56.100 0.256 0.000 0.970 73 R CB -0.324 30.167 30.300 0.318 0.000 0.864 73 R HN 0.185 nan 8.270 nan 0.000 0.440 74 S N 1.254 117.032 115.700 0.130 0.000 2.383 74 S HA -0.123 4.348 4.470 0.001 0.000 0.227 74 S C 1.765 176.378 174.600 0.021 0.000 1.026 74 S CA 0.863 59.157 58.200 0.156 0.000 0.981 74 S CB -0.179 63.193 63.200 0.286 0.000 0.818 74 S HN 0.165 nan 8.310 nan 0.000 0.472 75 L N 1.499 122.526 121.223 -0.328 0.000 1.994 75 L HA 0.006 4.347 4.340 0.001 0.000 0.208 75 L C 1.882 178.587 176.870 -0.276 0.000 1.071 75 L CA 1.606 56.089 54.840 -0.595 0.000 0.745 75 L CB -0.769 40.808 42.059 -0.804 0.000 0.892 75 L HN 0.156 nan 8.230 nan 0.000 0.431 76 L N -0.467 120.568 121.223 -0.313 0.000 2.079 76 L HA -0.213 4.128 4.340 0.001 0.000 0.210 76 L C 2.641 179.228 176.870 -0.473 0.000 1.081 76 L CA 1.781 56.306 54.840 -0.524 0.000 0.752 76 L CB -1.112 40.306 42.059 -1.068 0.000 0.896 76 L HN 0.461 nan 8.230 nan 0.000 0.433 77 Q N -0.575 119.085 119.800 -0.234 0.000 2.050 77 Q HA -0.220 4.121 4.340 0.001 0.000 0.202 77 Q C 2.149 178.200 176.000 0.085 0.000 0.980 77 Q CA 1.747 57.615 55.803 0.107 0.000 0.840 77 Q CB -0.518 28.370 28.738 0.250 0.000 0.898 77 Q HN 0.373 nan 8.270 nan 0.000 0.424 78 L N -0.620 120.651 121.223 0.079 0.000 2.046 78 L HA -0.104 4.236 4.340 0.001 0.000 0.208 78 L C 2.110 179.024 176.870 0.072 0.000 1.077 78 L CA 1.539 56.447 54.840 0.113 0.000 0.747 78 L CB -0.756 41.427 42.059 0.207 0.000 0.896 78 L HN 0.172 nan 8.230 nan 0.000 0.432 79 V N -0.266 119.661 119.914 0.021 0.000 2.287 79 V HA -0.369 3.751 4.120 0.001 0.000 0.248 79 V C 2.598 178.717 176.094 0.041 0.000 1.053 79 V CA 2.137 64.451 62.300 0.024 0.000 1.027 79 V CB -0.803 31.011 31.823 -0.015 0.000 0.646 79 V HN 0.666 nan 8.190 nan 0.000 0.447 80 Q N -0.028 119.791 119.800 0.032 0.000 2.096 80 Q HA -0.281 4.060 4.340 0.001 0.000 0.204 80 Q C 2.232 178.287 176.000 0.091 0.000 0.982 80 Q CA 2.204 58.056 55.803 0.081 0.000 0.850 80 Q CB -0.141 28.681 28.738 0.139 0.000 0.901 80 Q HN 0.725 nan 8.270 nan 0.000 0.422 81 E N -0.794 119.461 120.200 0.091 0.000 2.153 81 E HA -0.170 4.181 4.350 0.001 0.000 0.194 81 E C 1.619 178.261 176.600 0.071 0.000 0.988 81 E CA 1.092 57.543 56.400 0.084 0.000 0.811 81 E CB 0.037 29.789 29.700 0.086 0.000 0.746 81 E HN 0.404 nan 8.360 nan 0.000 0.466 82 C N 0.482 119.823 119.300 0.068 0.000 2.613 82 C HA 0.237 4.697 4.460 0.001 0.000 0.273 82 C C 1.435 176.455 174.990 0.051 0.000 1.304 82 C CA 0.301 59.353 59.018 0.057 0.000 1.702 82 C CB -1.202 26.574 27.740 0.059 0.000 1.792 82 C HN 0.641 nan 8.230 nan 0.000 0.588 83 G N 1.080 109.919 108.800 0.065 0.000 2.246 83 G HA2 -0.244 3.717 3.960 0.001 0.000 0.273 83 G HA3 -0.244 3.717 3.960 0.001 0.000 0.273 83 G C -0.316 174.628 174.900 0.075 0.000 1.055 83 G CA 0.080 45.224 45.100 0.073 0.000 0.851 83 G HN 0.551 nan 8.290 nan 0.000 0.500 84 L N 0.095 121.370 121.223 0.086 0.000 2.341 84 L HA 0.760 5.101 4.340 0.001 0.000 0.267 84 L C 1.063 178.015 176.870 0.136 0.000 1.009 84 L CA -0.621 54.285 54.840 0.109 0.000 0.819 84 L CB 2.163 44.281 42.059 0.098 0.000 1.323 84 L HN 0.334 nan 8.230 nan 0.000 0.425 85 T N -0.452 114.216 114.554 0.190 0.000 2.862 85 T HA 0.710 5.061 4.350 0.001 0.000 0.276 85 T C -0.692 174.103 174.700 0.159 0.000 0.974 85 T CA -0.695 61.515 62.100 0.184 0.000 0.966 85 T CB 1.843 70.860 68.868 0.247 0.000 1.072 85 T HN 0.342 nan 8.240 nan 0.000 0.538 86 L N 0.065 121.344 121.223 0.094 0.000 2.431 86 L HA 0.453 4.794 4.340 0.001 0.000 0.266 86 L C -1.230 175.616 176.870 -0.040 0.000 0.978 86 L CA -0.519 54.343 54.840 0.038 0.000 0.822 86 L CB 2.319 44.388 42.059 0.017 0.000 1.310 86 L HN 0.783 nan 8.230 nan 0.000 0.409 87 Q N 3.890 123.633 119.800 -0.095 0.000 2.347 87 Q HA 0.740 5.080 4.340 0.001 0.000 0.262 87 Q C -0.772 175.153 176.000 -0.125 0.000 0.980 87 Q CA -0.647 55.059 55.803 -0.162 0.000 0.867 87 Q CB 1.825 30.416 28.738 -0.245 0.000 1.242 87 Q HN 0.778 nan 8.270 nan 0.000 0.453 88 A N 4.274 127.004 122.820 -0.151 0.000 2.260 88 A HA 0.548 4.869 4.320 0.001 0.000 0.314 88 A C -0.350 177.065 177.584 -0.282 0.000 1.257 88 A CA -0.591 51.328 52.037 -0.196 0.000 0.871 88 A CB 0.312 19.194 19.000 -0.196 0.000 1.166 88 A HN 0.770 nan 8.150 nan 0.000 0.522 89 I N 3.448 123.846 120.570 -0.287 0.000 2.331 89 I HA 0.186 4.356 4.170 0.001 0.000 0.292 89 I C -0.044 175.829 176.117 -0.406 0.000 0.998 89 I CA -0.383 60.732 61.300 -0.308 0.000 1.267 89 I CB 1.375 39.207 38.000 -0.280 0.000 1.386 89 I HN 0.498 nan 8.210 nan 0.000 0.476 90 M N 5.182 124.538 119.600 -0.406 0.000 2.557 90 M HA 0.146 4.626 4.480 0.001 0.000 0.328 90 M C -0.075 175.767 176.300 -0.764 0.000 1.423 90 M CA 0.189 55.147 55.300 -0.570 0.000 1.418 90 M CB -0.238 32.110 32.600 -0.420 0.000 1.381 90 M HN 0.414 nan 8.290 nan 0.000 0.467 91 S N 3.591 118.883 115.700 -0.679 0.000 2.681 91 S HA 0.283 4.754 4.470 0.001 0.000 0.313 91 S C 0.385 174.765 174.600 -0.366 0.000 1.137 91 S CA -0.399 57.495 58.200 -0.511 0.000 1.045 91 S CB -0.471 62.185 63.200 -0.905 0.000 1.208 91 S HN 0.395 nan 8.310 nan 0.000 0.523 92 F N 3.061 123.068 119.950 0.094 0.000 2.663 92 F HA 0.179 4.707 4.527 0.001 0.000 0.299 92 F C 1.494 177.608 175.800 0.524 0.000 1.143 92 F CA -0.519 57.569 58.000 0.147 0.000 1.387 92 F CB -0.275 38.498 39.000 -0.378 0.000 1.019 92 F HN 0.564 nan 8.300 nan 0.000 0.523 93 H N -1.381 118.015 119.070 0.542 0.000 2.864 93 H HA 0.433 4.990 4.556 0.002 0.000 0.354 93 H C -0.796 174.821 175.328 0.482 0.000 1.208 93 H CA -1.188 55.182 56.048 0.538 0.000 1.191 93 H CB 0.938 30.933 29.762 0.388 0.000 1.889 93 H HN 0.169 nan 8.280 nan 0.000 0.574 94 Q N 0.696 120.724 119.800 0.380 0.000 2.235 94 Q HA 0.390 4.730 4.340 0.001 0.000 0.250 94 Q C -1.090 174.983 176.000 0.121 0.000 0.909 94 Q CA -0.705 55.183 55.803 0.143 0.000 0.910 94 Q CB 1.381 30.180 28.738 0.102 0.000 1.223 94 Q HN 0.602 nan 8.270 nan 0.000 0.432 95 C N 2.992 122.178 119.300 -0.189 0.000 2.319 95 C HA 0.855 5.316 4.460 0.001 0.000 0.335 95 C C 0.983 175.903 174.990 -0.117 0.000 1.274 95 C CA 0.938 59.857 59.018 -0.165 0.000 1.806 95 C CB -0.045 27.334 27.740 -0.601 0.000 2.329 95 C HN 1.067 nan 8.230 nan 0.000 0.524 96 G N 3.650 112.439 108.800 -0.018 0.000 3.967 96 G HA2 -0.002 3.959 3.960 0.001 0.000 0.210 96 G HA3 -0.002 3.959 3.960 0.001 0.000 0.210 96 G C 0.993 175.897 174.900 0.006 0.000 1.127 96 G CA 0.403 45.488 45.100 -0.025 0.000 0.887 96 G HN 1.215 nan 8.290 nan 0.000 0.367 97 G N 0.698 109.511 108.800 0.022 0.000 3.042 97 G HA2 0.320 4.280 3.960 0.001 0.000 0.212 97 G HA3 0.320 4.280 3.960 0.001 0.000 0.212 97 G C 0.343 175.268 174.900 0.042 0.000 1.166 97 G CA 0.296 45.411 45.100 0.024 0.000 0.767 97 G HN 0.398 nan 8.290 nan 0.000 0.546 98 N N -0.307 118.428 118.700 0.057 0.000 2.432 98 N HA 0.253 4.993 4.740 0.001 0.000 0.292 98 N C -0.412 175.147 175.510 0.082 0.000 1.193 98 N CA -0.624 52.471 53.050 0.074 0.000 0.878 98 N CB 2.243 40.770 38.487 0.066 0.000 1.252 98 N HN -0.145 nan 8.380 nan 0.000 0.520 99 V N 0.869 120.844 119.914 0.102 0.000 2.644 99 V HA 0.181 4.302 4.120 0.001 0.000 0.305 99 V C 1.382 177.509 176.094 0.055 0.000 1.053 99 V CA 1.956 64.302 62.300 0.077 0.000 1.186 99 V CB -0.377 31.494 31.823 0.080 0.000 0.895 99 V HN 1.001 nan 8.190 nan 0.000 0.490 100 G N 4.788 113.612 108.800 0.039 0.000 2.225 100 G HA2 -0.217 3.743 3.960 0.001 0.000 0.254 100 G HA3 -0.217 3.743 3.960 0.001 0.000 0.254 100 G C 0.001 174.930 174.900 0.048 0.000 0.988 100 G CA 0.224 45.345 45.100 0.035 0.000 0.625 100 G HN 0.811 nan 8.290 nan 0.000 0.527 101 D N 1.167 121.600 120.400 0.054 0.000 2.441 101 D HA 0.323 4.964 4.640 0.001 0.000 0.243 101 D C 1.958 178.272 176.300 0.022 0.000 1.257 101 D CA 0.243 54.274 54.000 0.051 0.000 1.027 101 D CB -0.243 40.587 40.800 0.051 0.000 1.084 101 D HN 0.655 nan 8.370 nan 0.000 0.514 102 I N -0.712 119.872 120.570 0.023 0.000 3.684 102 I HA 0.132 4.303 4.170 0.001 0.000 0.304 102 I C 0.356 176.467 176.117 -0.010 0.000 1.278 102 I CA -0.094 61.211 61.300 0.008 0.000 1.272 102 I CB 0.244 38.255 38.000 0.017 0.000 1.029 102 I HN -0.002 nan 8.210 nan 0.000 0.458 103 V N 1.219 121.115 119.914 -0.030 0.000 3.007 103 V HA 0.478 4.599 4.120 0.001 0.000 0.311 103 V C -1.474 174.548 176.094 -0.119 0.000 1.120 103 V CA -0.557 61.703 62.300 -0.068 0.000 0.980 103 V CB 2.409 34.188 31.823 -0.072 0.000 1.033 103 V HN 0.262 nan 8.190 nan 0.000 0.429 104 N N 4.805 123.427 118.700 -0.130 0.000 2.437 104 N HA 0.637 5.378 4.740 0.001 0.000 0.259 104 N C -0.988 174.385 175.510 -0.229 0.000 0.983 104 N CA -0.124 52.833 53.050 -0.156 0.000 0.937 104 N CB 1.162 39.587 38.487 -0.104 0.000 1.122 104 N HN 0.594 nan 8.380 nan 0.000 0.499 105 I N 3.672 124.041 120.570 -0.335 0.000 2.521 105 I HA 0.345 4.516 4.170 0.001 0.000 0.277 105 I C -2.382 173.549 176.117 -0.310 0.000 1.054 105 I CA -1.930 59.115 61.300 -0.426 0.000 1.117 105 I CB 1.735 39.201 38.000 -0.890 0.000 1.217 105 I HN 0.236 nan 8.210 nan 0.000 0.469 106 P HA 0.297 nan 4.420 nan 0.000 0.276 106 P C 0.018 177.225 177.300 -0.155 0.000 1.261 106 P CA -0.435 62.583 63.100 -0.137 0.000 0.800 106 P CB 0.697 32.325 31.700 -0.119 0.000 1.066 107 I N -2.770 117.711 120.570 -0.150 0.000 3.269 107 I HA 0.362 4.533 4.170 0.001 0.000 0.287 107 I C -2.283 173.517 176.117 -0.529 0.000 1.152 107 I CA -2.596 58.502 61.300 -0.338 0.000 1.263 107 I CB -0.712 37.116 38.000 -0.287 0.000 1.439 107 I HN 0.091 nan 8.210 nan 0.000 0.637 108 P HA -0.067 nan 4.420 nan 0.000 0.261 108 P C -0.056 176.893 177.300 -0.584 0.000 1.173 108 P CA 0.385 63.006 63.100 -0.797 0.000 0.760 108 P CB 0.503 31.437 31.700 -1.277 0.000 0.783 109 Q N 4.991 124.634 119.800 -0.263 0.000 2.135 109 Q HA -0.178 4.163 4.340 0.001 0.000 0.204 109 Q C 1.575 177.558 176.000 -0.028 0.000 0.981 109 Q CA 1.982 57.724 55.803 -0.101 0.000 0.856 109 Q CB -0.608 28.131 28.738 0.002 0.000 0.902 109 Q HN 0.682 nan 8.270 nan 0.000 0.425 110 W N -1.216 120.072 121.300 -0.019 0.000 2.392 110 W HA -0.038 4.622 4.660 -0.001 0.000 0.279 110 W C 1.207 177.788 176.519 0.102 0.000 1.225 110 W CA 0.866 58.245 57.345 0.058 0.000 1.233 110 W CB -0.775 28.724 29.460 0.064 0.000 1.122 110 W HN 0.002 nan 8.180 nan 0.000 0.561 111 V N 2.243 121.803 119.914 -0.590 0.000 2.407 111 V HA -0.257 3.863 4.120 0.001 0.000 0.245 111 V C 2.721 178.768 176.094 -0.079 0.000 1.041 111 V CA 1.449 63.473 62.300 -0.459 0.000 1.040 111 V CB -0.812 30.515 31.823 -0.826 0.000 0.671 111 V HN 0.099 nan 8.190 nan 0.000 0.455 112 L N -0.146 121.039 121.223 -0.063 0.000 2.131 112 L HA -0.182 4.158 4.340 0.001 0.000 0.210 112 L C 2.355 179.322 176.870 0.162 0.000 1.092 112 L CA 1.405 56.322 54.840 0.128 0.000 0.759 112 L CB -0.738 41.356 42.059 0.059 0.000 0.903 112 L HN 0.356 nan 8.230 nan 0.000 0.435 113 D N 0.436 120.914 120.400 0.131 0.000 2.117 113 D HA -0.161 4.480 4.640 0.001 0.000 0.197 113 D C 2.273 178.662 176.300 0.149 0.000 0.987 113 D CA 1.313 55.404 54.000 0.151 0.000 0.829 113 D CB -0.069 40.838 40.800 0.178 0.000 0.961 113 D HN 0.338 nan 8.370 nan 0.000 0.460 114 I N 0.941 121.599 120.570 0.147 0.000 2.286 114 I HA -0.158 4.013 4.170 0.001 0.000 0.248 114 I C 2.465 178.626 176.117 0.074 0.000 1.115 114 I CA 1.193 62.541 61.300 0.080 0.000 1.392 114 I CB -0.417 37.626 38.000 0.070 0.000 1.065 114 I HN 0.002 nan 8.210 nan 0.000 0.418 115 G N 0.192 109.073 108.800 0.135 0.000 2.509 115 G HA2 -0.174 3.787 3.960 0.001 0.000 0.218 115 G HA3 -0.174 3.787 3.960 0.001 0.000 0.218 115 G C 1.516 176.661 174.900 0.408 0.000 1.124 115 G CA 0.309 45.543 45.100 0.224 0.000 0.776 115 G HN 0.279 nan 8.290 nan 0.000 0.547 116 E N 0.978 121.353 120.200 0.292 0.000 2.152 116 E HA -0.084 4.267 4.350 0.001 0.000 0.192 116 E C 2.831 179.519 176.600 0.146 0.000 0.983 116 E CA 1.281 57.857 56.400 0.293 0.000 0.818 116 E CB -0.074 29.739 29.700 0.188 0.000 0.758 116 E HN 0.600 nan 8.360 nan 0.000 0.467 117 S N -0.584 115.144 115.700 0.046 0.000 2.503 117 S HA 0.052 4.522 4.470 0.001 0.000 0.215 117 S C 0.838 175.355 174.600 -0.139 0.000 1.003 117 S CA -0.203 57.959 58.200 -0.063 0.000 0.910 117 S CB 0.008 63.193 63.200 -0.026 0.000 0.790 117 S HN 0.107 nan 8.310 nan 0.000 0.514 118 N N 0.202 118.856 118.700 -0.076 0.000 2.727 118 N HA 0.297 5.037 4.740 0.001 0.000 0.252 118 N C -0.075 175.475 175.510 0.067 0.000 1.283 118 N CA -0.365 52.648 53.050 -0.061 0.000 0.782 118 N CB 0.415 38.870 38.487 -0.052 0.000 1.199 118 N HN 0.286 nan 8.380 nan 0.000 0.520 119 H N 0.207 119.349 119.070 0.120 0.000 2.543 119 H HA -0.071 4.485 4.556 0.001 0.000 0.286 119 H C 0.343 175.804 175.328 0.223 0.000 1.037 119 H CA 0.525 56.714 56.048 0.235 0.000 1.250 119 H CB 0.447 30.335 29.762 0.210 0.000 1.373 119 H HN 0.529 nan 8.280 nan 0.000 0.580 120 D N 1.202 121.742 120.400 0.233 0.000 2.352 120 D HA -0.026 4.615 4.640 0.001 0.000 0.232 120 D C 1.660 178.100 176.300 0.233 0.000 1.055 120 D CA 0.374 54.510 54.000 0.225 0.000 0.891 120 D CB 0.159 41.016 40.800 0.095 0.000 0.897 120 D HN 0.668 nan 8.370 nan 0.000 0.529 121 I N -3.355 117.206 120.570 -0.015 0.000 3.684 121 I HA 0.126 4.297 4.170 0.001 0.000 0.304 121 I C -0.198 175.712 176.117 -0.346 0.000 1.278 121 I CA 0.059 61.235 61.300 -0.207 0.000 1.272 121 I CB -0.113 37.685 38.000 -0.338 0.000 1.029 121 I HN -0.336 nan 8.210 nan 0.000 0.458 122 F N 0.235 120.263 119.950 0.130 0.000 2.492 122 F HA 0.501 5.029 4.527 0.001 0.000 0.327 122 F C 0.009 175.900 175.800 0.153 0.000 1.079 122 F CA -1.164 56.897 58.000 0.102 0.000 0.967 122 F CB 0.376 39.460 39.000 0.141 0.000 1.169 122 F HN -0.229 nan 8.300 nan 0.000 0.472 123 Y N 0.991 121.546 120.300 0.425 0.000 2.717 123 Y HA 0.214 4.764 4.550 0.001 0.000 0.330 123 Y C 0.673 176.770 175.900 0.329 0.000 1.217 123 Y CA 0.183 58.496 58.100 0.355 0.000 1.506 123 Y CB 0.006 38.668 38.460 0.337 0.000 1.268 123 Y HN 0.433 nan 8.280 nan 0.000 0.561 124 T N 5.036 119.894 114.554 0.507 0.000 2.861 124 T HA 0.282 4.633 4.350 0.001 0.000 0.287 124 T C -0.302 174.631 174.700 0.389 0.000 1.003 124 T CA -1.226 61.105 62.100 0.384 0.000 0.977 124 T CB 0.950 70.023 68.868 0.341 0.000 0.996 124 T HN 0.614 nan 8.240 nan 0.000 0.448 125 N N 1.750 120.596 118.700 0.243 0.000 2.448 125 N HA 0.240 4.981 4.740 0.001 0.000 0.274 125 N C 1.096 176.433 175.510 -0.288 0.000 1.239 125 N CA -0.953 52.152 53.050 0.090 0.000 0.982 125 N CB 0.798 39.309 38.487 0.041 0.000 1.199 125 N HN 0.561 nan 8.380 nan 0.000 0.576 126 R N -0.202 119.777 120.500 -0.868 0.000 2.127 126 R HA -0.064 4.277 4.340 0.001 0.000 0.238 126 R C 1.330 177.359 176.300 -0.451 0.000 1.134 126 R CA 1.644 57.056 56.100 -1.147 0.000 0.975 126 R CB -0.258 29.422 30.300 -1.034 0.000 0.865 126 R HN 0.649 nan 8.270 nan 0.000 0.447 127 S N -1.148 114.392 115.700 -0.268 0.000 2.481 127 S HA 0.063 4.534 4.470 0.001 0.000 0.231 127 S C 1.143 175.708 174.600 -0.058 0.000 0.996 127 S CA 0.936 59.060 58.200 -0.127 0.000 0.942 127 S CB 0.535 63.692 63.200 -0.071 0.000 0.768 127 S HN 0.740 nan 8.310 nan 0.000 0.520 128 G N 0.931 109.709 108.800 -0.036 0.000 2.163 128 G HA2 -0.207 3.753 3.960 0.001 0.000 0.213 128 G HA3 -0.207 3.753 3.960 0.001 0.000 0.213 128 G C 0.089 175.027 174.900 0.064 0.000 0.991 128 G CA 0.014 45.135 45.100 0.036 0.000 0.653 128 G HN 0.435 nan 8.290 nan 0.000 0.518 129 T N 3.026 117.620 114.554 0.067 0.000 2.834 129 T HA 0.487 4.837 4.350 0.001 0.000 0.298 129 T C 0.511 175.278 174.700 0.112 0.000 0.966 129 T CA -0.160 61.986 62.100 0.076 0.000 1.141 129 T CB 0.810 69.737 68.868 0.098 0.000 0.905 129 T HN 0.332 nan 8.240 nan 0.000 0.535 130 R N 3.433 123.975 120.500 0.070 0.000 2.254 130 R HA 0.293 4.633 4.340 0.001 0.000 0.318 130 R C -0.087 176.220 176.300 0.011 0.000 1.031 130 R CA -0.501 55.660 56.100 0.102 0.000 0.905 130 R CB -0.014 30.331 30.300 0.075 0.000 1.050 130 R HN 0.653 nan 8.270 nan 0.000 0.456 131 N N 1.761 120.533 118.700 0.120 0.000 2.426 131 N HA 0.097 4.838 4.740 0.001 0.000 0.257 131 N C -0.052 175.454 175.510 -0.006 0.000 1.002 131 N CA -0.342 52.755 53.050 0.079 0.000 0.942 131 N CB 0.756 39.371 38.487 0.214 0.000 1.112 131 N HN 0.349 nan 8.380 nan 0.000 0.499 132 K N 2.149 122.400 120.400 -0.248 0.000 2.437 132 K HA -0.013 4.307 4.320 0.001 0.000 0.198 132 K C 0.750 177.389 176.600 0.066 0.000 1.024 132 K CA 0.120 56.167 56.287 -0.400 0.000 1.148 132 K CB 0.254 32.340 32.500 -0.690 0.000 0.860 132 K HN 0.691 nan 8.250 nan 0.000 0.515 133 E N -0.180 120.128 120.200 0.179 0.000 2.435 133 E HA -0.099 4.252 4.350 0.001 0.000 0.195 133 E C -0.173 176.704 176.600 0.461 0.000 1.029 133 E CA 0.428 56.987 56.400 0.264 0.000 0.865 133 E CB 0.059 29.892 29.700 0.220 0.000 0.833 133 E HN 0.184 nan 8.360 nan 0.000 0.510 134 Y N -0.031 120.469 120.300 0.333 0.000 2.604 134 Y HA 0.309 4.860 4.550 0.001 0.000 0.331 134 Y C -1.667 174.382 175.900 0.247 0.000 1.158 134 Y CA -1.207 57.092 58.100 0.331 0.000 1.056 134 Y CB 1.279 39.936 38.460 0.328 0.000 1.330 134 Y HN -0.125 nan 8.280 nan 0.000 0.457 135 L N 4.220 125.208 121.223 -0.392 0.000 2.331 135 L HA 0.279 4.620 4.340 0.001 0.000 0.278 135 L C 0.753 177.318 176.870 -0.508 0.000 1.106 135 L CA -0.385 54.242 54.840 -0.356 0.000 0.824 135 L CB 1.119 42.961 42.059 -0.361 0.000 1.142 135 L HN 0.765 nan 8.230 nan 0.000 0.443 136 T N 1.473 115.694 114.554 -0.555 0.000 2.937 136 T HA 0.026 4.377 4.350 0.001 0.000 0.316 136 T C 1.366 175.846 174.700 -0.366 0.000 1.079 136 T CA -0.321 61.269 62.100 -0.850 0.000 1.131 136 T CB 0.913 69.526 68.868 -0.426 0.000 1.000 136 T HN 0.469 nan 8.240 nan 0.000 0.549 137 V N 3.102 122.874 119.914 -0.236 0.000 2.867 137 V HA 0.093 4.214 4.120 0.001 0.000 0.260 137 V C 2.553 178.636 176.094 -0.019 0.000 1.099 137 V CA 1.820 64.040 62.300 -0.132 0.000 1.122 137 V CB -1.680 30.035 31.823 -0.180 0.000 0.708 137 V HN 0.961 nan 8.190 nan 0.000 0.490 138 G N 1.123 109.933 108.800 0.017 0.000 2.462 138 G HA2 -0.172 3.789 3.960 0.001 0.000 0.220 138 G HA3 -0.172 3.789 3.960 0.001 0.000 0.220 138 G C 1.373 176.192 174.900 -0.135 0.000 1.121 138 G CA 1.548 46.691 45.100 0.071 0.000 0.758 138 G HN 1.124 nan 8.290 nan 0.000 0.559 139 V N -2.574 117.211 119.914 -0.215 0.000 3.376 139 V HA 0.259 4.380 4.120 0.001 0.000 0.313 139 V C 1.353 177.376 176.094 -0.120 0.000 1.393 139 V CA 0.344 62.462 62.300 -0.304 0.000 1.125 139 V CB 0.333 31.980 31.823 -0.293 0.000 1.037 139 V HN -0.057 nan 8.190 nan 0.000 0.440 140 D N 2.967 123.330 120.400 -0.062 0.000 2.149 140 D HA -0.179 4.461 4.640 0.001 0.000 0.194 140 D C 1.196 177.467 176.300 -0.049 0.000 1.001 140 D CA 2.281 56.268 54.000 -0.021 0.000 0.849 140 D CB -0.179 40.672 40.800 0.085 0.000 0.939 140 D HN 0.699 nan 8.370 nan 0.000 0.449 141 N N 0.059 118.733 118.700 -0.042 0.000 2.338 141 N HA 0.066 4.807 4.740 0.001 0.000 0.251 141 N C -0.780 174.698 175.510 -0.055 0.000 1.199 141 N CA -0.141 52.888 53.050 -0.035 0.000 0.879 141 N CB 0.922 39.404 38.487 -0.008 0.000 1.159 141 N HN -0.065 nan 8.380 nan 0.000 0.514 142 E N 1.700 121.836 120.200 -0.105 0.000 2.115 142 E HA 0.152 4.502 4.350 0.001 0.000 0.282 142 E C -2.204 174.321 176.600 -0.125 0.000 0.987 142 E CA -2.004 54.301 56.400 -0.158 0.000 0.797 142 E CB 1.450 30.935 29.700 -0.358 0.000 1.086 142 E HN 0.135 nan 8.360 nan 0.000 0.397 143 P HA 0.108 nan 4.420 nan 0.000 0.218 143 P C 0.616 177.841 177.300 -0.124 0.000 1.793 143 P CA 0.160 63.228 63.100 -0.053 0.000 0.941 143 P CB -0.680 31.007 31.700 -0.022 0.000 1.919 144 I N -5.046 115.340 120.570 -0.308 0.000 3.956 144 I HA 0.312 4.483 4.170 0.001 0.000 0.333 144 I C -0.277 175.481 176.117 -0.598 0.000 1.302 144 I CA -0.363 60.658 61.300 -0.465 0.000 1.122 144 I CB -0.300 37.348 38.000 -0.586 0.000 1.013 144 I HN -0.259 nan 8.210 nan 0.000 0.405 145 F N 3.608 123.534 119.950 -0.040 0.000 2.395 145 F HA 0.450 4.977 4.527 0.001 0.000 0.347 145 F C 0.433 176.303 175.800 0.118 0.000 1.157 145 F CA -0.789 57.235 58.000 0.041 0.000 1.272 145 F CB -0.677 38.422 39.000 0.164 0.000 1.607 145 F HN 0.144 nan 8.300 nan 0.000 0.571 146 H N 0.918 120.091 119.070 0.173 0.000 2.713 146 H HA -0.202 4.354 4.556 0.001 0.000 0.311 146 H C 1.537 176.902 175.328 0.061 0.000 1.175 146 H CA 0.853 56.954 56.048 0.087 0.000 1.143 146 H CB -1.174 28.617 29.762 0.049 0.000 1.434 146 H HN 0.930 nan 8.280 nan 0.000 0.418 147 G N -0.695 108.173 108.800 0.114 0.000 2.258 147 G HA2 -0.292 3.669 3.960 0.001 0.000 0.233 147 G HA3 -0.292 3.669 3.960 0.001 0.000 0.233 147 G C 0.489 175.441 174.900 0.088 0.000 1.006 147 G CA 0.308 45.456 45.100 0.081 0.000 0.620 147 G HN 0.540 nan 8.290 nan 0.000 0.511 148 R N 1.072 121.663 120.500 0.152 0.000 2.643 148 R HA 0.619 4.960 4.340 0.001 0.000 0.272 148 R C 0.769 177.182 176.300 0.188 0.000 0.995 148 R CA 0.124 56.311 56.100 0.145 0.000 1.032 148 R CB 1.093 31.491 30.300 0.162 0.000 1.126 148 R HN 0.370 nan 8.270 nan 0.000 0.505 149 T N -1.933 112.678 114.554 0.095 0.000 2.862 149 T HA 0.332 4.683 4.350 0.001 0.000 0.276 149 T C 1.290 175.974 174.700 -0.026 0.000 0.974 149 T CA -0.347 61.803 62.100 0.083 0.000 0.966 149 T CB 1.532 70.391 68.868 -0.015 0.000 1.072 149 T HN 0.586 nan 8.240 nan 0.000 0.538 150 A N 0.419 123.157 122.820 -0.138 0.000 1.902 150 A HA 0.061 4.382 4.320 0.001 0.000 0.217 150 A C 2.300 179.272 177.584 -1.020 0.000 1.181 150 A CA 1.174 52.797 52.037 -0.688 0.000 0.623 150 A CB -1.085 17.560 19.000 -0.592 0.000 0.818 150 A HN 0.863 nan 8.150 nan 0.000 0.443 151 I N -0.354 119.908 120.570 -0.514 0.000 2.286 151 I HA -0.247 3.924 4.170 0.001 0.000 0.248 151 I C 2.364 178.316 176.117 -0.275 0.000 1.115 151 I CA 1.459 62.555 61.300 -0.341 0.000 1.392 151 I CB -0.427 37.502 38.000 -0.118 0.000 1.065 151 I HN 0.452 nan 8.210 nan 0.000 0.418 152 E N 0.878 120.954 120.200 -0.207 0.000 2.150 152 E HA -0.159 4.191 4.350 0.001 0.000 0.193 152 E C 2.288 178.828 176.600 -0.101 0.000 0.985 152 E CA 1.035 57.377 56.400 -0.096 0.000 0.814 152 E CB 0.000 29.684 29.700 -0.028 0.000 0.752 152 E HN 0.507 nan 8.360 nan 0.000 0.466 153 I N 0.546 120.967 120.570 -0.249 0.000 2.179 153 I HA -0.282 3.888 4.170 0.001 0.000 0.242 153 I C 2.055 178.043 176.117 -0.216 0.000 1.088 153 I CA 1.116 62.304 61.300 -0.187 0.000 1.357 153 I CB -0.286 37.488 38.000 -0.377 0.000 1.051 153 I HN 0.106 nan 8.210 nan 0.000 0.409 154 Y N 0.165 120.149 120.300 -0.527 0.000 2.181 154 Y HA -0.221 4.329 4.550 0.001 0.000 0.288 154 Y C 3.015 178.810 175.900 -0.176 0.000 1.146 154 Y CA 1.149 58.779 58.100 -0.783 0.000 1.164 154 Y CB -1.377 36.442 38.460 -1.067 0.000 0.982 154 Y HN 0.118 nan 8.280 nan 0.000 0.515 155 S N -0.165 115.553 115.700 0.030 0.000 2.356 155 S HA -0.176 4.294 4.470 0.001 0.000 0.223 155 S C 1.757 176.425 174.600 0.113 0.000 1.032 155 S CA 1.626 59.865 58.200 0.066 0.000 1.005 155 S CB -0.373 62.837 63.200 0.017 0.000 0.867 155 S HN 0.403 nan 8.310 nan 0.000 0.449 156 D N -0.337 120.152 120.400 0.149 0.000 2.144 156 D HA -0.093 4.548 4.640 0.001 0.000 0.199 156 D C 1.562 178.022 176.300 0.266 0.000 0.984 156 D CA 1.091 55.219 54.000 0.213 0.000 0.834 156 D CB -0.477 40.500 40.800 0.295 0.000 0.955 156 D HN 0.607 nan 8.370 nan 0.000 0.465 157 Y N 0.863 121.304 120.300 0.234 0.000 2.145 157 Y HA -0.166 4.384 4.550 0.000 0.000 0.286 157 Y C 2.358 178.394 175.900 0.227 0.000 1.145 157 Y CA 1.527 59.794 58.100 0.278 0.000 1.148 157 Y CB -0.141 38.617 38.460 0.497 0.000 0.981 157 Y HN -0.123 nan 8.280 nan 0.000 0.507 158 M N -0.256 119.558 119.600 0.356 0.000 2.175 158 M HA -0.194 4.287 4.480 0.001 0.000 0.264 158 M C 2.042 178.236 176.300 -0.177 0.000 1.063 158 M CA 1.654 57.039 55.300 0.142 0.000 1.119 158 M CB -0.255 32.462 32.600 0.195 0.000 1.377 158 M HN 0.137 nan 8.290 nan 0.000 0.415 159 K N -0.237 120.077 120.400 -0.143 0.000 2.025 159 K HA -0.110 4.211 4.320 0.001 0.000 0.207 159 K C 2.273 178.752 176.600 -0.201 0.000 1.049 159 K CA 1.597 57.760 56.287 -0.207 0.000 0.933 159 K CB -0.299 32.143 32.500 -0.097 0.000 0.714 159 K HN 0.162 nan 8.250 nan 0.000 0.438 160 S N 0.545 116.145 115.700 -0.166 0.000 2.382 160 S HA -0.173 4.298 4.470 0.001 0.000 0.228 160 S C 1.764 176.078 174.600 -0.476 0.000 1.027 160 S CA 1.002 59.073 58.200 -0.215 0.000 0.991 160 S CB -0.302 62.701 63.200 -0.329 0.000 0.823 160 S HN 0.338 nan 8.310 nan 0.000 0.469 161 F N 2.979 122.492 119.950 -0.730 0.000 2.102 161 F HA -0.002 4.525 4.527 0.000 0.000 0.298 161 F C 2.563 177.999 175.800 -0.607 0.000 1.105 161 F CA 1.908 59.249 58.000 -1.098 0.000 1.239 161 F CB -0.501 38.079 39.000 -0.699 0.000 0.991 161 F HN 0.102 nan 8.300 nan 0.000 0.474 162 R N 1.031 121.376 120.500 -0.258 0.000 2.083 162 R HA -0.201 4.140 4.340 0.001 0.000 0.237 162 R C 2.032 178.160 176.300 -0.287 0.000 1.137 162 R CA 2.403 58.371 56.100 -0.221 0.000 0.951 162 R CB -0.731 29.341 30.300 -0.381 0.000 0.851 162 R HN 0.469 nan 8.270 nan 0.000 0.434 163 E N -0.114 119.911 120.200 -0.291 0.000 2.072 163 E HA -0.107 4.244 4.350 0.001 0.000 0.191 163 E C 1.846 178.281 176.600 -0.276 0.000 0.985 163 E CA 0.923 57.187 56.400 -0.227 0.000 0.801 163 E CB -0.122 29.484 29.700 -0.157 0.000 0.750 163 E HN 0.433 nan 8.360 nan 0.000 0.452 164 N N 0.013 118.455 118.700 -0.429 0.000 2.409 164 N HA -0.022 4.718 4.740 0.001 0.000 0.179 164 N C 0.935 176.184 175.510 -0.434 0.000 1.032 164 N CA 0.744 53.536 53.050 -0.431 0.000 0.898 164 N CB 0.272 38.389 38.487 -0.617 0.000 0.971 164 N HN 0.165 nan 8.380 nan 0.000 0.441 165 M N 0.342 119.603 119.600 -0.565 0.000 2.576 165 M HA 0.143 4.624 4.480 0.001 0.000 0.322 165 M C 1.605 177.759 176.300 -0.243 0.000 1.184 165 M CA 0.047 55.111 55.300 -0.393 0.000 0.967 165 M CB -0.466 31.677 32.600 -0.763 0.000 1.372 165 M HN -0.025 nan 8.290 nan 0.000 0.509 166 S N 1.498 117.055 115.700 -0.239 0.000 2.387 166 S HA -0.210 4.261 4.470 0.001 0.000 0.230 166 S C 1.386 175.901 174.600 -0.142 0.000 1.035 166 S CA 1.963 60.071 58.200 -0.154 0.000 1.014 166 S CB -0.578 62.539 63.200 -0.139 0.000 0.836 166 S HN 0.562 nan 8.310 nan 0.000 0.466 167 D N 1.113 121.369 120.400 -0.239 0.000 2.144 167 D HA -0.107 4.534 4.640 0.001 0.000 0.200 167 D C 1.548 177.699 176.300 -0.247 0.000 0.978 167 D CA 0.815 54.643 54.000 -0.286 0.000 0.833 167 D CB -0.874 39.672 40.800 -0.424 0.000 0.961 167 D HN 0.488 nan 8.370 nan 0.000 0.470 168 F N 0.803 120.707 119.950 -0.077 0.000 2.186 168 F HA 0.108 4.635 4.527 0.001 0.000 0.299 168 F C 2.536 178.317 175.800 -0.031 0.000 1.090 168 F CA 0.410 58.380 58.000 -0.050 0.000 1.307 168 F CB -0.674 38.284 39.000 -0.070 0.000 1.019 168 F HN -0.092 nan 8.300 nan 0.000 0.489 169 L N -0.277 121.021 121.223 0.123 0.000 2.046 169 L HA -0.204 4.137 4.340 0.001 0.000 0.208 169 L C 2.330 179.237 176.870 0.061 0.000 1.077 169 L CA 1.498 56.392 54.840 0.091 0.000 0.747 169 L CB -0.643 41.464 42.059 0.080 0.000 0.896 169 L HN 0.136 nan 8.230 nan 0.000 0.432 170 E N -0.280 119.934 120.200 0.024 0.000 2.110 170 E HA -0.188 4.163 4.350 0.001 0.000 0.193 170 E C 2.151 178.763 176.600 0.021 0.000 0.988 170 E CA 1.466 57.872 56.400 0.010 0.000 0.804 170 E CB -0.060 29.628 29.700 -0.021 0.000 0.745 170 E HN 0.503 nan 8.360 nan 0.000 0.458 171 S N -0.576 115.144 115.700 0.034 0.000 2.607 171 S HA 0.081 4.551 4.470 0.001 0.000 0.224 171 S C 1.536 176.177 174.600 0.069 0.000 0.969 171 S CA 0.436 58.665 58.200 0.049 0.000 0.927 171 S CB 0.219 63.459 63.200 0.066 0.000 0.772 171 S HN 0.369 nan 8.310 nan 0.000 0.533 172 G N 0.711 109.555 108.800 0.074 0.000 2.147 172 G HA2 -0.251 3.710 3.960 0.001 0.000 0.244 172 G HA3 -0.251 3.710 3.960 0.001 0.000 0.244 172 G C 0.362 175.318 174.900 0.094 0.000 1.005 172 G CA 0.368 45.512 45.100 0.074 0.000 0.713 172 G HN 0.627 nan 8.290 nan 0.000 0.515 173 L N 0.174 121.469 121.223 0.119 0.000 2.072 173 L HA 0.390 4.731 4.340 0.001 0.000 0.205 173 L C 1.582 178.504 176.870 0.088 0.000 1.079 173 L CA 1.367 56.276 54.840 0.116 0.000 0.752 173 L CB -0.024 42.120 42.059 0.141 0.000 0.906 173 L HN 0.389 nan 8.230 nan 0.000 0.436 174 I N 0.209 120.829 120.570 0.083 0.000 2.337 174 I HA 0.025 4.195 4.170 0.001 0.000 0.291 174 I C 0.999 177.138 176.117 0.037 0.000 1.046 174 I CA -0.160 61.171 61.300 0.052 0.000 1.324 174 I CB 1.197 39.236 38.000 0.066 0.000 1.409 174 I HN 0.156 nan 8.210 nan 0.000 0.494 175 I N 4.985 125.570 120.570 0.024 0.000 2.400 175 I HA -0.070 4.101 4.170 0.001 0.000 0.248 175 I C 0.457 176.577 176.117 0.004 0.000 1.109 175 I CA 1.309 62.633 61.300 0.040 0.000 1.425 175 I CB 0.046 38.086 38.000 0.065 0.000 1.094 175 I HN 0.817 nan 8.210 nan 0.000 0.425 176 D N -1.383 118.976 120.400 -0.068 0.000 2.609 176 D HA 0.325 4.966 4.640 0.001 0.000 0.239 176 D C -1.081 175.106 176.300 -0.188 0.000 1.229 176 D CA -0.514 53.425 54.000 -0.102 0.000 0.808 176 D CB 1.096 41.868 40.800 -0.047 0.000 1.448 176 D HN -0.229 nan 8.370 nan 0.000 0.433 177 I N 1.296 121.708 120.570 -0.264 0.000 2.330 177 I HA 0.231 4.401 4.170 0.001 0.000 0.289 177 I C -0.190 175.778 176.117 -0.249 0.000 1.001 177 I CA -0.617 60.466 61.300 -0.362 0.000 1.193 177 I CB 1.165 38.762 38.000 -0.672 0.000 1.345 177 I HN 0.464 nan 8.210 nan 0.000 0.461 178 E N 6.119 126.188 120.200 -0.218 0.000 2.089 178 E HA 0.251 4.602 4.350 0.001 0.000 0.284 178 E C -0.549 175.955 176.600 -0.159 0.000 1.023 178 E CA -0.532 55.772 56.400 -0.160 0.000 0.819 178 E CB 2.220 31.834 29.700 -0.143 0.000 1.076 178 E HN 0.238 nan 8.360 nan 0.000 0.396 179 V N 2.881 122.726 119.914 -0.114 0.000 2.405 179 V HA 0.153 4.273 4.120 0.001 0.000 0.264 179 V C 1.036 177.095 176.094 -0.058 0.000 1.048 179 V CA -0.526 61.734 62.300 -0.066 0.000 0.966 179 V CB 0.751 32.550 31.823 -0.040 0.000 1.015 179 V HN 0.696 nan 8.190 nan 0.000 0.477 180 G N 4.584 113.359 108.800 -0.042 0.000 2.313 180 G HA2 0.345 4.305 3.960 0.001 0.000 0.250 180 G HA3 0.345 4.305 3.960 0.001 0.000 0.250 180 G C 0.162 175.078 174.900 0.028 0.000 1.281 180 G CA -0.247 44.847 45.100 -0.011 0.000 0.917 180 G HN 0.552 nan 8.290 nan 0.000 0.501 181 L N 1.971 123.140 121.223 -0.089 0.000 3.069 181 L HA 0.462 4.803 4.340 0.001 0.000 0.271 181 L C 1.138 177.819 176.870 -0.315 0.000 1.201 181 L CA 0.550 55.350 54.840 -0.065 0.000 1.015 181 L CB -0.059 41.965 42.059 -0.058 0.000 1.371 181 L HN 0.916 nan 8.230 nan 0.000 0.574 182 G N -1.510 106.808 108.800 -0.804 0.000 2.336 182 G HA2 0.243 4.204 3.960 0.001 0.000 0.286 182 G HA3 0.243 4.204 3.960 0.001 0.000 0.286 182 G C -3.103 171.307 174.900 -0.817 0.000 1.269 182 G CA -0.668 43.585 45.100 -1.412 0.000 0.873 182 G HN -0.257 nan 8.290 nan 0.000 0.494 183 P HA 0.336 nan 4.420 nan 0.000 0.261 183 P C 0.689 177.775 177.300 -0.356 0.000 1.173 183 P CA 2.016 64.968 63.100 -0.247 0.000 0.760 183 P CB 1.023 32.590 31.700 -0.223 0.000 0.783 184 A N 3.777 126.382 122.820 -0.359 0.000 2.829 184 A HA -0.114 4.206 4.320 0.001 0.000 0.267 184 A C 1.568 178.693 177.584 -0.765 0.000 1.370 184 A CA 1.529 53.319 52.037 -0.411 0.000 0.900 184 A CB -2.427 16.488 19.000 -0.142 0.000 1.044 184 A HN 1.069 nan 8.150 nan 0.000 0.691 185 G N -2.151 105.915 108.800 -1.224 0.000 2.162 185 G HA2 -0.243 3.718 3.960 0.001 0.000 0.260 185 G HA3 -0.243 3.718 3.960 0.001 0.000 0.260 185 G C -0.197 174.504 174.900 -0.332 0.000 0.976 185 G CA 1.025 45.728 45.100 -0.663 0.000 0.655 185 G HN 1.261 nan 8.290 nan 0.000 0.533 186 E N -0.707 119.305 120.200 -0.313 0.000 2.242 186 E HA 0.545 4.896 4.350 0.001 0.000 0.275 186 E C 0.007 176.498 176.600 -0.180 0.000 1.002 186 E CA -1.120 55.175 56.400 -0.174 0.000 0.841 186 E CB 1.782 31.420 29.700 -0.103 0.000 1.109 186 E HN 0.174 nan 8.360 nan 0.000 0.394 187 L N 4.814 125.994 121.223 -0.072 0.000 2.536 187 L HA 0.139 4.480 4.340 0.001 0.000 0.282 187 L C -0.321 176.489 176.870 -0.100 0.000 1.174 187 L CA 0.826 55.628 54.840 -0.063 0.000 0.989 187 L CB -1.014 41.063 42.059 0.031 0.000 1.311 187 L HN 0.576 nan 8.230 nan 0.000 0.455 188 R N 2.018 122.329 120.500 -0.314 0.000 2.780 188 R HA 0.349 4.690 4.340 0.001 0.000 0.280 188 R C -1.591 174.351 176.300 -0.598 0.000 1.016 188 R CA -1.026 54.785 56.100 -0.483 0.000 0.854 188 R CB 0.375 30.462 30.300 -0.354 0.000 1.293 188 R HN 0.110 nan 8.270 nan 0.000 0.483 189 Y N 0.587 120.602 120.300 -0.475 0.000 2.335 189 Y HA 0.387 4.938 4.550 0.001 0.000 0.323 189 Y C -1.674 173.947 175.900 -0.464 0.000 1.224 189 Y CA -2.296 55.459 58.100 -0.574 0.000 1.241 189 Y CB 1.281 39.473 38.460 -0.446 0.000 1.235 189 Y HN 0.392 nan 8.280 nan 0.000 0.492 190 P HA 0.035 nan 4.420 nan 0.000 0.220 190 P C 0.119 177.309 177.300 -0.183 0.000 1.806 190 P CA 0.104 63.037 63.100 -0.278 0.000 0.976 190 P CB -0.106 31.523 31.700 -0.118 0.000 1.952 191 S N 0.162 115.767 115.700 -0.157 0.000 2.481 191 S HA -0.113 4.358 4.470 0.001 0.000 0.231 191 S C 0.700 175.324 174.600 0.040 0.000 0.996 191 S CA 0.191 58.414 58.200 0.039 0.000 0.942 191 S CB -1.023 62.230 63.200 0.089 0.000 0.768 191 S HN 0.406 nan 8.310 nan 0.000 0.520 192 Y N 0.449 120.540 120.300 -0.350 0.000 2.658 192 Y HA 0.640 5.191 4.550 0.001 0.000 0.362 192 Y C -3.194 172.384 175.900 -0.537 0.000 1.017 192 Y CA -3.943 53.608 58.100 -0.915 0.000 1.134 192 Y CB 0.084 37.487 38.460 -1.762 0.000 1.144 192 Y HN 0.002 nan 8.280 nan 0.000 0.655 193 P HA 0.165 nan 4.420 nan 0.000 0.286 193 P C 0.005 177.310 177.300 0.008 0.000 1.321 193 P CA -0.063 62.941 63.100 -0.159 0.000 0.790 193 P CB 1.888 33.474 31.700 -0.190 0.000 0.897 194 Q N 1.795 121.683 119.800 0.148 0.000 2.170 194 Q HA -0.125 4.216 4.340 0.001 0.000 0.203 194 Q C 1.952 177.984 176.000 0.052 0.000 0.976 194 Q CA 2.050 57.962 55.803 0.181 0.000 0.858 194 Q CB -0.194 28.653 28.738 0.181 0.000 0.907 194 Q HN 0.591 nan 8.270 nan 0.000 0.433 195 S N -0.013 115.695 115.700 0.012 0.000 2.507 195 S HA -0.139 4.332 4.470 0.001 0.000 0.235 195 S C 1.373 175.956 174.600 -0.029 0.000 0.988 195 S CA 0.790 58.984 58.200 -0.010 0.000 0.944 195 S CB 0.033 63.225 63.200 -0.014 0.000 0.762 195 S HN 0.366 nan 8.310 nan 0.000 0.526 196 Q N 0.158 119.914 119.800 -0.073 0.000 2.179 196 Q HA 0.389 4.730 4.340 0.001 0.000 0.213 196 Q C 0.985 176.938 176.000 -0.078 0.000 0.833 196 Q CA 0.173 55.923 55.803 -0.088 0.000 0.990 196 Q CB 0.828 29.467 28.738 -0.165 0.000 1.132 196 Q HN 0.713 nan 8.270 nan 0.000 0.493 197 G N 0.950 109.726 108.800 -0.039 0.000 2.176 197 G HA2 -0.263 3.698 3.960 0.001 0.000 0.232 197 G HA3 -0.263 3.698 3.960 0.001 0.000 0.232 197 G C -0.269 174.636 174.900 0.008 0.000 0.986 197 G CA -0.180 44.916 45.100 -0.007 0.000 0.643 197 G HN 0.454 nan 8.290 nan 0.000 0.522 198 W N 1.603 122.792 121.300 -0.186 0.000 2.209 198 W HA 0.555 5.216 4.660 0.000 0.000 0.344 198 W C 0.282 176.794 176.519 -0.012 0.000 1.285 198 W CA 0.615 57.904 57.345 -0.092 0.000 1.267 198 W CB 0.501 29.890 29.460 -0.117 0.000 1.167 198 W HN 0.228 nan 8.180 nan 0.000 0.574 199 E N 5.524 124.956 120.200 -1.279 0.000 2.278 199 E HA 0.166 4.517 4.350 0.001 0.000 0.272 199 E C -1.439 174.235 176.600 -1.544 0.000 0.890 199 E CA -1.109 54.560 56.400 -1.218 0.000 0.770 199 E CB 0.906 30.291 29.700 -0.525 0.000 1.212 199 E HN 0.335 nan 8.360 nan 0.000 0.415 200 F N 6.326 125.289 119.950 -1.646 0.000 2.607 200 F HA 0.150 4.677 4.527 0.001 0.000 0.374 200 F C -1.603 173.848 175.800 -0.582 0.000 1.104 200 F CA -0.915 56.455 58.000 -1.051 0.000 1.296 200 F CB 0.836 39.372 39.000 -0.774 0.000 1.085 200 F HN 0.291 nan 8.300 nan 0.000 0.584 201 P HA 0.224 nan 4.420 nan 0.000 0.215 201 P C -0.122 177.132 177.300 -0.076 0.000 1.872 201 P CA -0.216 62.150 63.100 -1.222 0.000 0.996 201 P CB 0.081 30.878 31.700 -1.505 0.000 1.772 202 G N 1.361 110.171 108.800 0.017 0.000 2.491 202 G HA2 0.109 4.070 3.960 0.001 0.000 0.238 202 G HA3 0.109 4.070 3.960 0.001 0.000 0.238 202 G C 1.197 176.566 174.900 0.782 0.000 1.277 202 G CA -0.593 44.743 45.100 0.393 0.000 0.851 202 G HN 0.383 nan 8.290 nan 0.000 0.573 203 I N 0.430 121.252 120.570 0.420 0.000 2.614 203 I HA 0.261 4.432 4.170 0.001 0.000 0.258 203 I C 1.260 177.495 176.117 0.196 0.000 1.189 203 I CA 0.591 61.993 61.300 0.171 0.000 1.462 203 I CB -0.847 36.974 38.000 -0.298 0.000 1.092 203 I HN 0.949 nan 8.210 nan 0.000 0.442 204 G N 1.238 110.260 108.800 0.370 0.000 2.760 204 G HA2 -0.173 3.788 3.960 0.001 0.000 0.246 204 G HA3 -0.173 3.788 3.960 0.001 0.000 0.246 204 G C -0.790 174.131 174.900 0.035 0.000 1.359 204 G CA -0.323 44.971 45.100 0.323 0.000 0.861 204 G HN 0.563 nan 8.290 nan 0.000 0.541 205 E N -1.119 119.059 120.200 -0.036 0.000 2.340 205 E HA 0.545 4.896 4.350 0.001 0.000 0.273 205 E C -0.690 175.801 176.600 -0.182 0.000 0.891 205 E CA -0.870 55.352 56.400 -0.297 0.000 0.757 205 E CB 1.496 30.828 29.700 -0.612 0.000 1.231 205 E HN 0.326 nan 8.360 nan 0.000 0.439 206 F N 1.537 121.448 119.950 -0.066 0.000 2.553 206 F HA 0.015 4.542 4.527 0.001 0.000 0.356 206 F C 1.290 177.139 175.800 0.081 0.000 1.142 206 F CA 0.256 58.192 58.000 -0.106 0.000 1.322 206 F CB 0.480 39.294 39.000 -0.310 0.000 1.126 206 F HN 0.221 nan 8.300 nan 0.000 0.599 207 Q N 2.616 122.574 119.800 0.263 0.000 2.462 207 Q HA 0.198 4.539 4.340 0.001 0.000 0.395 207 Q C -0.056 176.135 176.000 0.319 0.000 0.911 207 Q CA 0.030 56.006 55.803 0.288 0.000 1.112 207 Q CB 0.723 29.543 28.738 0.137 0.000 1.350 207 Q HN 0.797 nan 8.270 nan 0.000 0.407 208 C N -2.286 117.138 119.300 0.206 0.000 2.742 208 C HA 0.444 4.905 4.460 0.001 0.000 0.283 208 C C 0.709 175.645 174.990 -0.089 0.000 1.451 208 C CA -0.652 58.454 59.018 0.147 0.000 1.785 208 C CB -1.624 26.240 27.740 0.206 0.000 2.664 208 C HN 0.345 nan 8.230 nan 0.000 0.544 209 Y N 1.933 122.359 120.300 0.210 0.000 2.457 209 Y HA 0.181 4.731 4.550 0.001 0.000 0.263 209 Y C 1.011 177.012 175.900 0.168 0.000 1.164 209 Y CA -0.525 57.660 58.100 0.143 0.000 1.274 209 Y CB -0.389 38.118 38.460 0.078 0.000 1.097 209 Y HN 0.534 nan 8.280 nan 0.000 0.523 210 D N -0.029 120.565 120.400 0.324 0.000 2.357 210 D HA 0.014 4.655 4.640 0.001 0.000 0.242 210 D C 1.256 177.664 176.300 0.180 0.000 1.153 210 D CA -0.456 53.705 54.000 0.268 0.000 0.918 210 D CB 0.854 41.843 40.800 0.314 0.000 1.181 210 D HN 0.268 nan 8.370 nan 0.000 0.435 211 K N 0.287 120.714 120.400 0.045 0.000 2.152 211 K HA -0.274 4.047 4.320 0.001 0.000 0.206 211 K C 1.232 177.770 176.600 -0.103 0.000 1.048 211 K CA 1.117 57.350 56.287 -0.089 0.000 0.933 211 K CB -0.498 31.849 32.500 -0.256 0.000 0.721 211 K HN 0.523 nan 8.250 nan 0.000 0.447 212 Y N 1.574 121.950 120.300 0.126 0.000 2.163 212 Y HA -0.048 4.503 4.550 0.001 0.000 0.288 212 Y C 2.272 178.297 175.900 0.208 0.000 1.136 212 Y CA 1.009 59.189 58.100 0.133 0.000 1.147 212 Y CB -0.363 38.156 38.460 0.099 0.000 0.987 212 Y HN -0.092 nan 8.280 nan 0.000 0.509 213 L N 0.071 121.542 121.223 0.414 0.000 2.056 213 L HA -0.220 4.120 4.340 0.001 0.000 0.207 213 L C 2.517 179.656 176.870 0.449 0.000 1.078 213 L CA 1.538 56.682 54.840 0.507 0.000 0.749 213 L CB -0.497 41.875 42.059 0.521 0.000 0.901 213 L HN 0.188 nan 8.230 nan 0.000 0.433 214 K N 0.516 121.071 120.400 0.258 0.000 2.057 214 K HA -0.196 4.124 4.320 0.001 0.000 0.207 214 K C 2.118 178.820 176.600 0.170 0.000 1.049 214 K CA 1.396 57.775 56.287 0.153 0.000 0.931 214 K CB -0.047 32.510 32.500 0.095 0.000 0.714 214 K HN 0.261 nan 8.250 nan 0.000 0.440 215 A N 1.132 124.046 122.820 0.156 0.000 1.898 215 A HA -0.205 4.116 4.320 0.001 0.000 0.216 215 A C 1.819 179.498 177.584 0.158 0.000 1.181 215 A CA 2.050 54.161 52.037 0.123 0.000 0.620 215 A CB -0.746 18.312 19.000 0.096 0.000 0.819 215 A HN 0.564 nan 8.150 nan 0.000 0.442 216 D N -1.483 119.076 120.400 0.264 0.000 2.117 216 D HA -0.176 4.465 4.640 0.001 0.000 0.197 216 D C 1.631 178.069 176.300 0.230 0.000 0.987 216 D CA 1.496 55.691 54.000 0.326 0.000 0.829 216 D CB -0.233 40.882 40.800 0.524 0.000 0.961 216 D HN 0.367 nan 8.370 nan 0.000 0.460 217 F N 1.354 121.247 119.950 -0.096 0.000 2.102 217 F HA -0.116 4.411 4.527 0.001 0.000 0.298 217 F C 2.002 177.653 175.800 -0.249 0.000 1.105 217 F CA 1.354 58.973 58.000 -0.635 0.000 1.239 217 F CB -0.123 38.304 39.000 -0.954 0.000 0.991 217 F HN -0.170 nan 8.300 nan 0.000 0.474 218 K N 0.515 120.821 120.400 -0.156 0.000 2.063 218 K HA -0.151 4.170 4.320 0.001 0.000 0.208 218 K C 2.295 178.780 176.600 -0.191 0.000 1.048 218 K CA 1.274 57.447 56.287 -0.190 0.000 0.928 218 K CB -0.932 31.557 32.500 -0.019 0.000 0.713 218 K HN 0.405 nan 8.250 nan 0.000 0.442 219 A N 1.496 124.262 122.820 -0.089 0.000 1.898 219 A HA -0.062 4.258 4.320 0.001 0.000 0.216 219 A C 2.432 179.975 177.584 -0.069 0.000 1.181 219 A CA 1.842 53.850 52.037 -0.049 0.000 0.620 219 A CB -0.533 18.483 19.000 0.028 0.000 0.819 219 A HN 0.311 nan 8.150 nan 0.000 0.442 220 A N 0.086 122.867 122.820 -0.066 0.000 1.877 220 A HA -0.058 4.263 4.320 0.001 0.000 0.216 220 A C 2.334 179.869 177.584 -0.082 0.000 1.186 220 A CA 2.443 54.502 52.037 0.036 0.000 0.620 220 A CB -1.349 17.728 19.000 0.128 0.000 0.822 220 A HN 1.165 nan 8.150 nan 0.000 0.443 221 V N -2.459 117.222 119.914 -0.388 0.000 2.626 221 V HA -0.005 4.116 4.120 0.001 0.000 0.252 221 V C 2.476 178.296 176.094 -0.456 0.000 1.067 221 V CA 1.732 63.686 62.300 -0.576 0.000 1.081 221 V CB -1.458 30.013 31.823 -0.587 0.000 0.686 221 V HN 0.523 nan 8.190 nan 0.000 0.468 222 A N 0.982 123.614 122.820 -0.312 0.000 1.898 222 A HA -0.111 4.210 4.320 0.001 0.000 0.216 222 A C 2.417 179.867 177.584 -0.223 0.000 1.181 222 A CA 1.747 53.632 52.037 -0.253 0.000 0.620 222 A CB -0.566 18.333 19.000 -0.169 0.000 0.819 222 A HN 0.552 nan 8.150 nan 0.000 0.442 223 R N -0.519 119.890 120.500 -0.151 0.000 2.237 223 R HA 0.016 4.356 4.340 0.001 0.000 0.219 223 R C 1.887 178.116 176.300 -0.118 0.000 1.080 223 R CA 0.864 56.907 56.100 -0.094 0.000 0.995 223 R CB -0.292 30.001 30.300 -0.011 0.000 0.875 223 R HN 0.487 nan 8.270 nan 0.000 0.462 224 A N 0.090 122.785 122.820 -0.208 0.000 2.251 224 A HA 0.251 4.572 4.320 0.001 0.000 0.209 224 A C 1.347 178.704 177.584 -0.379 0.000 1.187 224 A CA 0.668 52.562 52.037 -0.239 0.000 0.823 224 A CB 0.138 18.877 19.000 -0.436 0.000 0.846 224 A HN 0.400 nan 8.150 nan 0.000 0.486 225 G N -1.131 107.399 108.800 -0.449 0.000 2.141 225 G HA2 -0.189 3.771 3.960 0.001 0.000 0.242 225 G HA3 -0.189 3.771 3.960 0.001 0.000 0.242 225 G C -0.035 174.267 174.900 -0.996 0.000 0.982 225 G CA 0.277 45.013 45.100 -0.607 0.000 0.662 225 G HN 0.670 nan 8.290 nan 0.000 0.527 226 H N -0.296 118.318 119.070 -0.760 0.000 2.439 226 H HA 0.207 4.763 4.556 0.001 0.000 0.228 226 H C -1.763 173.121 175.328 -0.739 0.000 1.423 226 H CA -0.598 54.835 56.048 -1.025 0.000 1.386 226 H CB 1.537 29.928 29.762 -2.285 0.000 1.641 226 H HN 0.259 nan 8.280 nan 0.000 0.508 227 P HA -0.172 nan 4.420 nan 0.000 0.221 227 P C 1.293 178.504 177.300 -0.148 0.000 1.145 227 P CA 1.111 64.065 63.100 -0.244 0.000 0.795 227 P CB 0.463 32.047 31.700 -0.192 0.000 0.775 228 E N -1.366 118.754 120.200 -0.134 0.000 2.358 228 E HA -0.113 4.238 4.350 0.001 0.000 0.195 228 E C 0.339 177.024 176.600 0.140 0.000 1.010 228 E CA 0.093 56.489 56.400 -0.008 0.000 0.856 228 E CB -0.867 28.833 29.700 0.001 0.000 0.795 228 E HN 0.174 nan 8.360 nan 0.000 0.504 229 W N 2.520 123.789 121.300 -0.051 0.000 2.223 229 W HA 0.155 4.815 4.660 0.001 0.000 0.334 229 W C 0.768 177.337 176.519 0.083 0.000 1.334 229 W CA -0.328 57.005 57.345 -0.020 0.000 1.246 229 W CB 0.226 29.637 29.460 -0.083 0.000 1.184 229 W HN -0.060 nan 8.180 nan 0.000 0.563 230 E N 1.880 122.269 120.200 0.315 0.000 2.281 230 E HA 0.415 4.765 4.350 0.001 0.000 0.262 230 E C -0.130 176.486 176.600 0.026 0.000 0.933 230 E CA -1.250 55.286 56.400 0.226 0.000 0.809 230 E CB 1.641 31.389 29.700 0.078 0.000 1.242 230 E HN 0.208 nan 8.360 nan 0.000 0.418 231 L N 1.727 122.790 121.223 -0.266 0.000 2.482 231 L HA 0.121 4.462 4.340 0.001 0.000 0.273 231 L C -1.916 174.596 176.870 -0.597 0.000 1.228 231 L CA -1.445 52.905 54.840 -0.815 0.000 0.827 231 L CB -0.306 41.251 42.059 -0.838 0.000 1.099 231 L HN 0.151 nan 8.230 nan 0.000 0.494 232 P HA -0.058 nan 4.420 nan 0.000 0.262 232 P C -0.625 176.503 177.300 -0.286 0.000 1.182 232 P CA 0.330 63.041 63.100 -0.648 0.000 0.761 232 P CB 0.331 31.345 31.700 -1.144 0.000 0.795 233 D N 1.227 121.517 120.400 -0.184 0.000 2.539 233 D HA -0.009 4.631 4.640 0.001 0.000 0.232 233 D C -0.140 176.105 176.300 -0.092 0.000 1.256 233 D CA -0.007 53.924 54.000 -0.116 0.000 0.810 233 D CB -0.084 40.667 40.800 -0.081 0.000 1.090 233 D HN 0.301 nan 8.370 nan 0.000 0.519 234 D N -0.030 120.322 120.400 -0.080 0.000 2.599 234 D HA 0.258 4.899 4.640 0.001 0.000 0.249 234 D C 0.932 177.223 176.300 -0.014 0.000 1.313 234 D CA -0.391 53.591 54.000 -0.031 0.000 0.815 234 D CB 0.186 40.987 40.800 0.001 0.000 1.077 234 D HN 0.107 nan 8.370 nan 0.000 0.492 235 A N 0.272 123.037 122.820 -0.091 0.000 2.275 235 A HA 0.614 4.934 4.320 0.001 0.000 0.212 235 A C 1.452 179.025 177.584 -0.019 0.000 1.201 235 A CA 0.451 52.426 52.037 -0.103 0.000 0.843 235 A CB -0.558 18.285 19.000 -0.262 0.000 0.873 235 A HN 0.640 nan 8.150 nan 0.000 0.492 236 G N -0.260 108.515 108.800 -0.043 0.000 2.598 236 G HA2 -0.219 3.742 3.960 0.001 0.000 0.244 236 G HA3 -0.219 3.742 3.960 0.001 0.000 0.244 236 G C -0.258 174.583 174.900 -0.099 0.000 1.302 236 G CA 0.198 45.272 45.100 -0.043 0.000 0.903 236 G HN 0.615 nan 8.290 nan 0.000 0.575 237 K N -1.331 119.021 120.400 -0.079 0.000 2.395 237 K HA 0.596 4.917 4.320 0.001 0.000 0.245 237 K C 0.930 177.510 176.600 -0.033 0.000 1.017 237 K CA -0.873 55.335 56.287 -0.131 0.000 0.852 237 K CB 1.262 33.723 32.500 -0.065 0.000 1.311 237 K HN 0.381 nan 8.250 nan 0.000 0.452 238 Y N 0.948 121.306 120.300 0.098 0.000 2.038 238 Y HA -0.331 4.220 4.550 0.001 0.000 0.266 238 Y C 1.285 177.341 175.900 0.260 0.000 1.220 238 Y CA 2.037 60.273 58.100 0.227 0.000 1.107 238 Y CB -0.624 38.009 38.460 0.289 0.000 0.932 238 Y HN 0.614 nan 8.280 nan 0.000 0.500 239 N N -0.121 118.756 118.700 0.294 0.000 2.313 239 N HA -0.002 4.739 4.740 0.001 0.000 0.207 239 N C -0.487 175.072 175.510 0.082 0.000 1.141 239 N CA -0.306 52.825 53.050 0.135 0.000 0.830 239 N CB 0.128 38.637 38.487 0.038 0.000 1.008 239 N HN 0.234 nan 8.380 nan 0.000 0.481 240 D N 0.837 121.281 120.400 0.074 0.000 2.377 240 D HA 0.128 4.769 4.640 0.001 0.000 0.245 240 D C 0.266 176.546 176.300 -0.034 0.000 1.196 240 D CA -0.157 53.850 54.000 0.013 0.000 0.962 240 D CB 1.512 42.308 40.800 -0.007 0.000 1.127 240 D HN -0.135 nan 8.370 nan 0.000 0.471 241 V N -1.351 118.503 119.914 -0.100 0.000 2.732 241 V HA 0.385 4.506 4.120 0.001 0.000 0.310 241 V C -1.768 174.085 176.094 -0.402 0.000 1.053 241 V CA -1.485 60.638 62.300 -0.295 0.000 0.957 241 V CB 1.651 33.406 31.823 -0.113 0.000 1.018 241 V HN 0.353 nan 8.190 nan 0.000 0.452 242 P HA -0.237 nan 4.420 nan 0.000 0.216 242 P C 1.241 178.446 177.300 -0.158 0.000 1.153 242 P CA 2.100 64.930 63.100 -0.451 0.000 0.858 242 P CB 0.122 31.411 31.700 -0.685 0.000 0.789 243 E N 0.786 120.888 120.200 -0.163 0.000 2.409 243 E HA -0.100 4.251 4.350 0.001 0.000 0.198 243 E C 1.425 178.013 176.600 -0.021 0.000 1.024 243 E CA 1.360 57.730 56.400 -0.051 0.000 0.861 243 E CB -0.878 28.805 29.700 -0.029 0.000 0.788 243 E HN 0.362 nan 8.360 nan 0.000 0.521 244 S N 0.320 115.999 115.700 -0.034 0.000 2.634 244 S HA 0.053 4.524 4.470 0.001 0.000 0.221 244 S C 0.716 175.321 174.600 0.008 0.000 0.952 244 S CA -0.004 58.190 58.200 -0.011 0.000 0.930 244 S CB -0.275 62.916 63.200 -0.016 0.000 0.780 244 S HN 0.340 nan 8.310 nan 0.000 0.498 245 T N -3.212 111.363 114.554 0.034 0.000 2.908 245 T HA 0.706 5.057 4.350 0.001 0.000 0.290 245 T C 1.169 175.908 174.700 0.065 0.000 1.034 245 T CA -0.218 61.921 62.100 0.064 0.000 1.010 245 T CB 1.378 70.331 68.868 0.143 0.000 1.068 245 T HN 0.044 nan 8.240 nan 0.000 0.481 246 G N 0.121 108.950 108.800 0.047 0.000 2.430 246 G HA2 -0.006 3.955 3.960 0.001 0.000 0.216 246 G HA3 -0.006 3.955 3.960 0.001 0.000 0.216 246 G C 0.968 175.884 174.900 0.026 0.000 1.146 246 G CA -0.006 45.112 45.100 0.029 0.000 0.793 246 G HN 0.683 nan 8.290 nan 0.000 0.537 247 F N 0.510 120.369 119.950 -0.153 0.000 2.113 247 F HA 0.144 4.672 4.527 0.001 0.000 0.297 247 F C 1.765 177.401 175.800 -0.273 0.000 1.103 247 F CA 1.123 58.942 58.000 -0.302 0.000 1.248 247 F CB 0.135 38.792 39.000 -0.571 0.000 0.999 247 F HN 0.110 nan 8.300 nan 0.000 0.475 248 F N 0.592 120.637 119.950 0.158 0.000 2.749 248 F HA 0.159 4.687 4.527 0.001 0.000 0.300 248 F C 1.029 176.785 175.800 -0.073 0.000 1.103 248 F CA -0.374 57.574 58.000 -0.087 0.000 1.342 248 F CB -0.841 38.068 39.000 -0.153 0.000 1.098 248 F HN -0.202 nan 8.300 nan 0.000 0.586 249 K N 0.191 120.684 120.400 0.156 0.000 2.230 249 K HA 0.192 4.513 4.320 0.001 0.000 0.253 249 K C 0.695 177.399 176.600 0.174 0.000 1.008 249 K CA -0.367 55.988 56.287 0.113 0.000 0.910 249 K CB 0.465 33.004 32.500 0.066 0.000 0.994 249 K HN -0.049 nan 8.250 nan 0.000 0.495 250 S N 1.405 117.183 115.700 0.130 0.000 2.558 250 S HA -0.068 4.402 4.470 0.001 0.000 0.293 250 S C 0.076 174.726 174.600 0.083 0.000 1.292 250 S CA 0.237 58.516 58.200 0.132 0.000 1.063 250 S CB -0.615 62.632 63.200 0.079 0.000 0.831 250 S HN 0.852 nan 8.310 nan 0.000 0.499 251 N N 1.444 120.171 118.700 0.045 0.000 2.713 251 N HA -0.139 4.601 4.740 0.001 0.000 0.251 251 N C 0.383 175.852 175.510 -0.068 0.000 1.117 251 N CA 1.185 54.208 53.050 -0.045 0.000 0.770 251 N CB -1.805 36.665 38.487 -0.029 0.000 1.137 251 N HN 0.784 nan 8.380 nan 0.000 0.566 252 G N -0.532 108.264 108.800 -0.007 0.000 2.570 252 G HA2 0.226 4.187 3.960 0.001 0.000 0.276 252 G HA3 0.226 4.187 3.960 0.001 0.000 0.276 252 G C 1.139 175.913 174.900 -0.211 0.000 1.346 252 G CA 0.600 45.676 45.100 -0.040 0.000 1.034 252 G HN 0.143 nan 8.290 nan 0.000 0.512 253 T N -0.169 114.203 114.554 -0.303 0.000 2.803 253 T HA -0.220 4.131 4.350 0.001 0.000 0.269 253 T C 2.017 176.278 174.700 -0.731 0.000 1.052 253 T CA 2.150 63.966 62.100 -0.474 0.000 1.136 253 T CB -0.448 68.170 68.868 -0.416 0.000 0.864 253 T HN 0.628 nan 8.240 nan 0.000 0.467 254 Y N 0.524 120.115 120.300 -1.182 0.000 2.465 254 Y HA 0.105 4.656 4.550 0.001 0.000 0.289 254 Y C 1.834 177.539 175.900 -0.325 0.000 1.150 254 Y CA -0.016 57.528 58.100 -0.928 0.000 1.293 254 Y CB -0.750 37.326 38.460 -0.640 0.000 0.977 254 Y HN 0.063 nan 8.280 nan 0.000 0.556 255 V N 0.940 120.351 119.914 -0.838 0.000 3.621 255 V HA 0.041 4.162 4.120 0.001 0.000 0.285 255 V C 1.029 176.924 176.094 -0.332 0.000 1.346 255 V CA 0.803 62.712 62.300 -0.651 0.000 1.104 255 V CB -0.614 30.749 31.823 -0.768 0.000 0.913 255 V HN 0.670 nan 8.190 nan 0.000 0.432 256 T N -3.229 111.142 114.554 -0.305 0.000 2.847 256 T HA 0.189 4.539 4.350 0.001 0.000 0.279 256 T C 1.081 175.675 174.700 -0.176 0.000 0.984 256 T CA -0.067 61.904 62.100 -0.215 0.000 0.988 256 T CB 1.418 70.147 68.868 -0.232 0.000 1.040 256 T HN 0.296 nan 8.240 nan 0.000 0.528 257 E N 0.260 120.383 120.200 -0.127 0.000 2.085 257 E HA -0.212 4.138 4.350 0.001 0.000 0.194 257 E C 2.079 178.514 176.600 -0.275 0.000 0.994 257 E CA 1.296 57.659 56.400 -0.061 0.000 0.801 257 E CB -0.089 29.648 29.700 0.062 0.000 0.743 257 E HN 0.758 nan 8.360 nan 0.000 0.453 258 K N -0.250 119.752 120.400 -0.662 0.000 2.026 258 K HA -0.137 4.183 4.320 0.001 0.000 0.208 258 K C 2.110 178.394 176.600 -0.527 0.000 1.048 258 K CA 1.610 57.105 56.287 -1.320 0.000 0.929 258 K CB -0.388 31.351 32.500 -1.270 0.000 0.713 258 K HN 0.185 nan 8.250 nan 0.000 0.439 259 G N 1.154 109.767 108.800 -0.312 0.000 2.402 259 G HA2 -0.213 3.748 3.960 0.001 0.000 0.216 259 G HA3 -0.213 3.748 3.960 0.001 0.000 0.216 259 G C 1.321 176.244 174.900 0.039 0.000 1.162 259 G CA 0.650 45.680 45.100 -0.117 0.000 0.777 259 G HN 0.303 nan 8.290 nan 0.000 0.539 260 K N -0.648 119.764 120.400 0.019 0.000 2.097 260 K HA 0.014 4.335 4.320 0.001 0.000 0.205 260 K C 2.114 178.829 176.600 0.191 0.000 1.050 260 K CA 0.806 57.180 56.287 0.144 0.000 0.938 260 K CB -0.252 32.343 32.500 0.159 0.000 0.718 260 K HN 0.336 nan 8.250 nan 0.000 0.442 261 F N 1.075 121.071 119.950 0.076 0.000 2.102 261 F HA -0.223 4.305 4.527 0.001 0.000 0.298 261 F C 2.067 178.022 175.800 0.259 0.000 1.105 261 F CA 1.242 59.354 58.000 0.187 0.000 1.239 261 F CB -0.340 38.797 39.000 0.230 0.000 0.991 261 F HN -0.041 nan 8.300 nan 0.000 0.474 262 F N 0.959 121.082 119.950 0.288 0.000 2.069 262 F HA -0.233 4.295 4.527 0.001 0.000 0.298 262 F C 1.908 177.768 175.800 0.100 0.000 1.113 262 F CA 1.952 60.090 58.000 0.231 0.000 1.214 262 F CB -0.897 38.067 39.000 -0.061 0.000 0.978 262 F HN -0.030 nan 8.300 nan 0.000 0.474 263 L N -0.366 120.646 121.223 -0.351 0.000 2.079 263 L HA -0.240 4.101 4.340 0.001 0.000 0.210 263 L C 2.337 178.938 176.870 -0.449 0.000 1.081 263 L CA 1.802 56.252 54.840 -0.650 0.000 0.752 263 L CB -1.157 40.317 42.059 -0.975 0.000 0.896 263 L HN 0.211 nan 8.230 nan 0.000 0.433 264 T N -1.547 112.921 114.554 -0.144 0.000 2.812 264 T HA -0.224 4.126 4.350 0.001 0.000 0.264 264 T C 1.339 176.017 174.700 -0.035 0.000 1.042 264 T CA 1.331 63.468 62.100 0.062 0.000 1.140 264 T CB -0.337 68.570 68.868 0.065 0.000 0.870 264 T HN 0.527 nan 8.240 nan 0.000 0.445 265 W N 0.878 122.003 121.300 -0.290 0.000 2.355 265 W HA -0.179 4.482 4.660 0.001 0.000 0.309 265 W C 2.052 178.507 176.519 -0.107 0.000 1.206 265 W CA 0.771 57.997 57.345 -0.199 0.000 1.284 265 W CB -0.617 28.769 29.460 -0.124 0.000 1.145 265 W HN 0.248 nan 8.180 nan 0.000 0.502 266 Y N 1.841 121.871 120.300 -0.451 0.000 2.145 266 Y HA -0.250 4.300 4.550 0.001 0.000 0.286 266 Y C 2.902 178.609 175.900 -0.322 0.000 1.145 266 Y CA 2.836 60.541 58.100 -0.657 0.000 1.148 266 Y CB -0.936 36.991 38.460 -0.889 0.000 0.981 266 Y HN 0.068 nan 8.280 nan 0.000 0.507 267 S N -0.948 114.657 115.700 -0.158 0.000 2.406 267 S HA -0.145 4.326 4.470 0.001 0.000 0.228 267 S C 1.709 176.239 174.600 -0.116 0.000 1.020 267 S CA 1.133 59.279 58.200 -0.090 0.000 0.965 267 S CB -0.827 62.426 63.200 0.088 0.000 0.798 267 S HN 0.609 nan 8.310 nan 0.000 0.488 268 N N 1.474 120.090 118.700 -0.140 0.000 2.244 268 N HA -0.034 4.706 4.740 0.001 0.000 0.183 268 N C 1.506 176.915 175.510 -0.169 0.000 1.016 268 N CA 0.873 53.850 53.050 -0.121 0.000 0.866 268 N CB -0.027 38.398 38.487 -0.104 0.000 0.980 268 N HN 0.266 nan 8.380 nan 0.000 0.430 269 K N 1.195 121.413 120.400 -0.303 0.000 2.103 269 K HA -0.090 4.231 4.320 0.001 0.000 0.207 269 K C 1.953 178.450 176.600 -0.172 0.000 1.048 269 K CA 0.755 56.877 56.287 -0.274 0.000 0.930 269 K CB -0.478 31.778 32.500 -0.407 0.000 0.716 269 K HN 0.315 nan 8.250 nan 0.000 0.444 270 L N 0.437 121.526 121.223 -0.224 0.000 2.072 270 L HA -0.099 4.241 4.340 0.001 0.000 0.205 270 L C 2.443 179.292 176.870 -0.036 0.000 1.079 270 L CA 0.674 55.402 54.840 -0.188 0.000 0.752 270 L CB -0.410 41.475 42.059 -0.289 0.000 0.906 270 L HN 0.081 nan 8.230 nan 0.000 0.436 271 L N -0.238 120.963 121.223 -0.037 0.000 2.046 271 L HA -0.235 4.106 4.340 0.001 0.000 0.208 271 L C 2.359 179.238 176.870 0.015 0.000 1.077 271 L CA 1.208 56.049 54.840 0.001 0.000 0.747 271 L CB -0.590 41.468 42.059 -0.001 0.000 0.896 271 L HN 0.383 nan 8.230 nan 0.000 0.432 272 N N -1.078 117.628 118.700 0.009 0.000 2.216 272 N HA -0.195 4.546 4.740 0.001 0.000 0.183 272 N C 1.800 177.340 175.510 0.050 0.000 1.017 272 N CA 1.087 54.152 53.050 0.026 0.000 0.861 272 N CB -0.314 38.182 38.487 0.016 0.000 0.986 272 N HN 0.412 nan 8.380 nan 0.000 0.428 273 H N 0.441 119.485 119.070 -0.045 0.000 2.290 273 H HA -0.040 4.516 4.556 0.001 0.000 0.298 273 H C 2.040 177.352 175.328 -0.026 0.000 1.087 273 H CA 2.305 58.335 56.048 -0.029 0.000 1.291 273 H CB -0.649 29.084 29.762 -0.049 0.000 1.369 273 H HN 0.189 nan 8.280 nan 0.000 0.492 274 G N -0.511 108.254 108.800 -0.059 0.000 2.421 274 G HA2 -0.317 3.644 3.960 0.001 0.000 0.216 274 G HA3 -0.317 3.644 3.960 0.001 0.000 0.216 274 G C 1.582 176.409 174.900 -0.122 0.000 1.171 274 G CA 0.992 46.013 45.100 -0.131 0.000 0.775 274 G HN 0.542 nan 8.290 nan 0.000 0.543 275 D N 0.190 120.575 120.400 -0.026 0.000 2.123 275 D HA -0.101 4.540 4.640 0.001 0.000 0.196 275 D C 2.616 178.925 176.300 0.014 0.000 0.992 275 D CA 1.208 55.247 54.000 0.064 0.000 0.833 275 D CB -0.170 40.694 40.800 0.107 0.000 0.954 275 D HN 0.438 nan 8.370 nan 0.000 0.455 276 Q N -0.516 119.269 119.800 -0.024 0.000 2.079 276 Q HA -0.049 4.292 4.340 0.001 0.000 0.200 276 Q C 2.457 178.412 176.000 -0.076 0.000 0.974 276 Q CA 0.980 56.767 55.803 -0.027 0.000 0.840 276 Q CB 0.032 28.759 28.738 -0.018 0.000 0.898 276 Q HN 0.413 nan 8.270 nan 0.000 0.430 277 I N 0.032 120.511 120.570 -0.152 0.000 2.439 277 I HA -0.220 3.951 4.170 0.001 0.000 0.251 277 I C 1.799 177.823 176.117 -0.156 0.000 1.139 277 I CA 0.382 61.589 61.300 -0.155 0.000 1.438 277 I CB -0.028 37.822 38.000 -0.250 0.000 1.085 277 I HN 0.197 nan 8.210 nan 0.000 0.427 278 L N 0.461 121.526 121.223 -0.264 0.000 2.131 278 L HA -0.231 4.109 4.340 0.001 0.000 0.210 278 L C 2.057 178.730 176.870 -0.327 0.000 1.092 278 L CA 1.802 56.385 54.840 -0.429 0.000 0.759 278 L CB -1.026 40.478 42.059 -0.924 0.000 0.903 278 L HN 0.235 nan 8.230 nan 0.000 0.435 279 D N -0.515 119.788 120.400 -0.162 0.000 2.104 279 D HA -0.184 4.457 4.640 0.001 0.000 0.194 279 D C 2.011 178.327 176.300 0.028 0.000 0.994 279 D CA 1.052 55.082 54.000 0.049 0.000 0.830 279 D CB 0.192 41.041 40.800 0.082 0.000 0.959 279 D HN 0.326 nan 8.370 nan 0.000 0.452 280 E N 0.619 120.818 120.200 -0.002 0.000 2.106 280 E HA -0.096 4.254 4.350 0.001 0.000 0.192 280 E C 2.073 178.695 176.600 0.036 0.000 0.984 280 E CA 0.675 57.083 56.400 0.012 0.000 0.806 280 E CB -0.277 29.425 29.700 0.003 0.000 0.750 280 E HN 0.219 nan 8.360 nan 0.000 0.458 281 A N 1.524 124.376 122.820 0.052 0.000 1.930 281 A HA -0.220 4.101 4.320 0.001 0.000 0.217 281 A C 2.066 179.777 177.584 0.212 0.000 1.175 281 A CA 1.812 53.948 52.037 0.166 0.000 0.627 281 A CB -0.712 18.365 19.000 0.129 0.000 0.815 281 A HN 0.288 nan 8.150 nan 0.000 0.443 282 N N -0.232 118.544 118.700 0.127 0.000 2.120 282 N HA -0.162 4.579 4.740 0.001 0.000 0.188 282 N C 1.639 177.225 175.510 0.127 0.000 1.024 282 N CA 1.996 55.140 53.050 0.157 0.000 0.852 282 N CB -0.221 38.369 38.487 0.171 0.000 1.003 282 N HN 0.525 nan 8.380 nan 0.000 0.424 283 K N -0.241 120.205 120.400 0.077 0.000 2.025 283 K HA -0.010 4.311 4.320 0.001 0.000 0.207 283 K C 2.075 178.665 176.600 -0.016 0.000 1.049 283 K CA 1.231 57.539 56.287 0.035 0.000 0.933 283 K CB -0.249 32.263 32.500 0.019 0.000 0.714 283 K HN 0.260 nan 8.250 nan 0.000 0.438 284 A N 0.605 123.379 122.820 -0.076 0.000 1.933 284 A HA -0.109 4.211 4.320 0.001 0.000 0.218 284 A C 1.437 178.762 177.584 -0.433 0.000 1.175 284 A CA 1.310 53.172 52.037 -0.291 0.000 0.628 284 A CB -0.380 18.357 19.000 -0.439 0.000 0.814 284 A HN 0.243 nan 8.150 nan 0.000 0.444 285 F N -0.710 119.261 119.950 0.035 0.000 2.639 285 F HA 0.355 4.883 4.527 0.001 0.000 0.302 285 F C 0.571 176.389 175.800 0.030 0.000 1.097 285 F CA -0.692 57.329 58.000 0.035 0.000 1.294 285 F CB -0.031 38.993 39.000 0.041 0.000 1.027 285 F HN 0.047 nan 8.300 nan 0.000 0.550 286 L N 0.820 122.122 121.223 0.132 0.000 2.578 286 L HA 0.129 4.469 4.340 0.001 0.000 0.279 286 L C 1.418 178.335 176.870 0.078 0.000 1.227 286 L CA 1.264 56.162 54.840 0.097 0.000 0.900 286 L CB 0.296 42.390 42.059 0.058 0.000 1.144 286 L HN 0.612 nan 8.230 nan 0.000 0.496 287 G N 2.506 111.347 108.800 0.069 0.000 2.267 287 G HA2 -0.288 3.672 3.960 0.001 0.000 0.257 287 G HA3 -0.288 3.672 3.960 0.001 0.000 0.257 287 G C 0.398 175.333 174.900 0.058 0.000 0.998 287 G CA 0.098 45.227 45.100 0.048 0.000 0.620 287 G HN 0.676 nan 8.290 nan 0.000 0.529 288 C N 1.395 120.753 119.300 0.097 0.000 2.605 288 C HA 0.464 4.925 4.460 0.001 0.000 0.404 288 C C 1.283 176.317 174.990 0.074 0.000 1.284 288 C CA -0.234 58.846 59.018 0.104 0.000 2.199 288 C CB 0.846 28.703 27.740 0.194 0.000 2.647 288 C HN 0.440 nan 8.230 nan 0.000 0.604 289 K N 2.210 122.644 120.400 0.056 0.000 2.480 289 K HA 0.350 4.670 4.320 0.001 0.000 0.241 289 K C -0.131 176.492 176.600 0.038 0.000 1.261 289 K CA 0.032 56.343 56.287 0.040 0.000 1.193 289 K CB -0.251 32.270 32.500 0.035 0.000 1.598 289 K HN 0.629 nan 8.250 nan 0.000 0.278 290 V N -2.625 117.305 119.914 0.027 0.000 3.206 290 V HA 0.521 4.642 4.120 0.001 0.000 0.305 290 V C -1.057 175.031 176.094 -0.011 0.000 1.257 290 V CA -1.327 60.969 62.300 -0.006 0.000 1.057 290 V CB 2.144 33.918 31.823 -0.082 0.000 1.075 290 V HN 0.186 nan 8.190 nan 0.000 0.443 291 K N 1.082 121.468 120.400 -0.024 0.000 2.340 291 K HA 0.770 5.091 4.320 0.001 0.000 0.244 291 K C -1.407 175.151 176.600 -0.070 0.000 0.973 291 K CA -0.819 55.455 56.287 -0.022 0.000 0.828 291 K CB 2.452 34.953 32.500 0.001 0.000 1.226 291 K HN 0.637 nan 8.250 nan 0.000 0.437 292 L N 1.214 122.406 121.223 -0.052 0.000 2.344 292 L HA 0.741 5.082 4.340 0.001 0.000 0.272 292 L C -0.298 176.536 176.870 -0.061 0.000 1.035 292 L CA -0.714 54.079 54.840 -0.077 0.000 0.807 292 L CB 1.692 43.727 42.059 -0.040 0.000 1.237 292 L HN 0.743 nan 8.230 nan 0.000 0.442 293 A N 2.580 125.355 122.820 -0.075 0.000 2.587 293 A HA 0.868 5.189 4.320 0.001 0.000 0.293 293 A C -1.126 176.423 177.584 -0.059 0.000 1.087 293 A CA -0.500 51.506 52.037 -0.052 0.000 0.692 293 A CB 1.957 20.935 19.000 -0.036 0.000 1.291 293 A HN 0.708 nan 8.150 nan 0.000 0.407 294 I N -2.124 118.423 120.570 -0.038 0.000 3.042 294 I HA 0.738 4.909 4.170 0.001 0.000 0.310 294 I C -0.885 175.221 176.117 -0.019 0.000 1.117 294 I CA -0.998 60.278 61.300 -0.040 0.000 1.003 294 I CB 2.373 40.353 38.000 -0.034 0.000 1.228 294 I HN 0.473 nan 8.210 nan 0.000 0.443 295 K N 2.853 123.237 120.400 -0.027 0.000 2.244 295 K HA 0.691 5.011 4.320 0.001 0.000 0.260 295 K C -1.405 175.209 176.600 0.024 0.000 0.951 295 K CA -0.833 55.446 56.287 -0.013 0.000 0.826 295 K CB 2.591 35.059 32.500 -0.053 0.000 1.108 295 K HN 0.435 nan 8.250 nan 0.000 0.433 296 V N 1.963 121.913 119.914 0.059 0.000 2.448 296 V HA 0.180 4.301 4.120 0.001 0.000 0.295 296 V C 0.122 176.235 176.094 0.031 0.000 1.025 296 V CA -0.648 61.726 62.300 0.124 0.000 0.859 296 V CB 1.666 33.580 31.823 0.152 0.000 0.988 296 V HN 0.817 nan 8.190 nan 0.000 0.431 297 S N 3.433 119.219 115.700 0.143 0.000 2.585 297 S HA 0.495 4.966 4.470 0.001 0.000 0.273 297 S C 0.512 175.055 174.600 -0.095 0.000 1.339 297 S CA 0.073 58.301 58.200 0.047 0.000 1.028 297 S CB 0.912 64.265 63.200 0.256 0.000 0.906 297 S HN 1.074 nan 8.310 nan 0.000 0.528 298 G N 3.487 112.118 108.800 -0.282 0.000 2.655 298 G HA2 0.534 4.495 3.960 0.001 0.000 0.334 298 G HA3 0.534 4.495 3.960 0.001 0.000 0.334 298 G C -0.445 174.446 174.900 -0.016 0.000 1.099 298 G CA -0.551 44.398 45.100 -0.252 0.000 1.075 298 G HN 0.743 nan 8.290 nan 0.000 0.463 299 I N 3.366 123.896 120.570 -0.067 0.000 2.317 299 I HA 0.129 4.300 4.170 0.001 0.000 0.286 299 I C 1.150 177.030 176.117 -0.394 0.000 1.119 299 I CA -0.720 60.228 61.300 -0.587 0.000 1.228 299 I CB 0.481 38.144 38.000 -0.561 0.000 1.476 299 I HN 0.782 nan 8.210 nan 0.000 0.514 300 H N 2.272 121.306 119.070 -0.060 0.000 2.535 300 H HA -0.008 4.548 4.556 0.001 0.000 0.273 300 H C 0.175 175.631 175.328 0.213 0.000 0.983 300 H CA -0.578 55.528 56.048 0.096 0.000 1.238 300 H CB -0.415 29.422 29.762 0.125 0.000 1.412 300 H HN 0.588 nan 8.280 nan 0.000 0.562 301 W N -0.341 120.856 121.300 -0.172 0.000 2.266 301 W HA 0.307 4.968 4.660 0.001 0.000 0.317 301 W C -0.558 175.890 176.519 -0.117 0.000 1.310 301 W CA -1.328 55.889 57.345 -0.213 0.000 1.207 301 W CB 0.191 29.413 29.460 -0.397 0.000 1.199 301 W HN 0.323 nan 8.180 nan 0.000 0.544 302 W N 0.996 122.362 121.300 0.110 0.000 2.046 302 W HA -0.361 4.299 4.660 0.001 0.000 0.263 302 W C 1.325 177.747 176.519 -0.161 0.000 1.048 302 W CA 0.558 57.871 57.345 -0.053 0.000 0.474 302 W CB -2.343 27.039 29.460 -0.131 0.000 2.069 302 W HN 0.700 nan 8.180 nan 0.000 1.264 303 Y N 1.608 121.873 120.300 -0.057 0.000 2.352 303 Y HA -0.070 4.480 4.550 0.001 0.000 0.292 303 Y C 2.025 177.749 175.900 -0.292 0.000 1.136 303 Y CA 2.046 60.044 58.100 -0.170 0.000 1.227 303 Y CB 0.046 38.535 38.460 0.048 0.000 0.991 303 Y HN -0.141 nan 8.280 nan 0.000 0.545 304 K N 0.758 121.147 120.400 -0.017 0.000 2.458 304 K HA 0.130 4.451 4.320 0.001 0.000 0.194 304 K C -0.077 176.484 176.600 -0.066 0.000 1.024 304 K CA 0.471 56.745 56.287 -0.022 0.000 1.108 304 K CB -0.074 32.465 32.500 0.065 0.000 0.846 304 K HN 0.203 nan 8.250 nan 0.000 0.518 305 V N -2.670 117.166 119.914 -0.130 0.000 2.815 305 V HA 0.285 4.406 4.120 0.001 0.000 0.314 305 V C 1.212 177.239 176.094 -0.111 0.000 1.064 305 V CA -0.944 61.334 62.300 -0.038 0.000 0.952 305 V CB 2.118 34.000 31.823 0.098 0.000 1.020 305 V HN -0.007 nan 8.190 nan 0.000 0.439 306 E N 2.039 122.258 120.200 0.032 0.000 2.187 306 E HA -0.288 4.063 4.350 0.001 0.000 0.199 306 E C 1.644 178.387 176.600 0.239 0.000 1.004 306 E CA 2.298 58.791 56.400 0.154 0.000 0.813 306 E CB 0.017 29.830 29.700 0.188 0.000 0.736 306 E HN 1.042 nan 8.360 nan 0.000 0.468 307 N N -0.866 117.861 118.700 0.044 0.000 2.409 307 N HA -0.141 4.600 4.740 0.001 0.000 0.179 307 N C -0.048 175.479 175.510 0.029 0.000 1.032 307 N CA 0.630 53.588 53.050 -0.153 0.000 0.898 307 N CB -0.246 37.999 38.487 -0.404 0.000 0.971 307 N HN 0.149 nan 8.380 nan 0.000 0.441 308 H N -0.932 118.096 119.070 -0.072 0.000 2.594 308 H HA -0.203 4.354 4.556 0.001 0.000 0.316 308 H C 1.329 176.584 175.328 -0.122 0.000 1.107 308 H CA 0.336 56.371 56.048 -0.022 0.000 1.133 308 H CB -1.267 28.510 29.762 0.025 0.000 1.459 308 H HN 0.592 nan 8.280 nan 0.000 0.411 309 A N 0.731 123.353 122.820 -0.330 0.000 1.903 309 A HA -0.194 4.127 4.320 0.001 0.000 0.219 309 A C 2.551 179.832 177.584 -0.505 0.000 1.191 309 A CA 2.551 54.055 52.037 -0.888 0.000 0.638 309 A CB -0.752 17.358 19.000 -1.485 0.000 0.823 309 A HN 0.665 nan 8.150 nan 0.000 0.451 310 A N -0.800 121.869 122.820 -0.252 0.000 1.933 310 A HA -0.151 4.170 4.320 0.001 0.000 0.218 310 A C 1.932 179.417 177.584 -0.165 0.000 1.175 310 A CA 1.712 53.618 52.037 -0.219 0.000 0.628 310 A CB -0.513 18.185 19.000 -0.505 0.000 0.814 310 A HN 0.662 nan 8.150 nan 0.000 0.444 311 E N -0.594 119.580 120.200 -0.043 0.000 2.051 311 E HA -0.171 4.180 4.350 0.001 0.000 0.192 311 E C 1.846 178.552 176.600 0.176 0.000 0.991 311 E CA 1.163 57.655 56.400 0.152 0.000 0.799 311 E CB -0.250 29.639 29.700 0.316 0.000 0.748 311 E HN 0.430 nan 8.360 nan 0.000 0.449 312 L N 0.726 122.068 121.223 0.198 0.000 2.042 312 L HA -0.207 4.134 4.340 0.001 0.000 0.210 312 L C 2.700 179.790 176.870 0.367 0.000 1.076 312 L CA 2.190 57.232 54.840 0.336 0.000 0.749 312 L CB -1.153 41.202 42.059 0.492 0.000 0.893 312 L HN 0.306 nan 8.230 nan 0.000 0.432 313 T N -3.976 110.616 114.554 0.064 0.000 2.995 313 T HA -0.043 4.308 4.350 0.001 0.000 0.269 313 T C 1.753 176.564 174.700 0.184 0.000 1.091 313 T CA 0.788 62.808 62.100 -0.134 0.000 1.128 313 T CB -0.407 68.212 68.868 -0.414 0.000 0.891 313 T HN 0.249 nan 8.240 nan 0.000 0.492 314 A N 0.848 123.735 122.820 0.111 0.000 2.123 314 A HA 0.583 4.903 4.320 0.001 0.000 0.214 314 A C 2.081 179.613 177.584 -0.087 0.000 1.152 314 A CA 0.744 52.781 52.037 0.001 0.000 0.728 314 A CB -0.811 18.120 19.000 -0.115 0.000 0.814 314 A HN 1.310 nan 8.150 nan 0.000 0.464 315 G N -2.815 106.027 108.800 0.071 0.000 2.184 315 G HA2 -0.185 3.776 3.960 0.001 0.000 0.206 315 G HA3 -0.185 3.776 3.960 0.001 0.000 0.206 315 G C -0.312 174.558 174.900 -0.050 0.000 0.995 315 G CA -0.007 45.074 45.100 -0.032 0.000 0.651 315 G HN 0.324 nan 8.290 nan 0.000 0.511 316 Y N 0.934 121.302 120.300 0.112 0.000 2.595 316 Y HA 0.423 4.974 4.550 0.001 0.000 0.336 316 Y C 0.579 176.509 175.900 0.050 0.000 0.996 316 Y CA -2.060 56.025 58.100 -0.025 0.000 1.260 316 Y CB 0.155 38.566 38.460 -0.081 0.000 1.108 316 Y HN 0.306 nan 8.280 nan 0.000 0.509 317 Y N 4.267 124.600 120.300 0.054 0.000 2.603 317 Y HA 0.081 4.632 4.550 0.001 0.000 0.341 317 Y C -0.116 175.743 175.900 -0.068 0.000 1.272 317 Y CA -0.418 57.711 58.100 0.048 0.000 1.891 317 Y CB -0.210 38.280 38.460 0.050 0.000 1.910 317 Y HN 0.572 nan 8.280 nan 0.000 0.432 318 N N 4.290 123.020 118.700 0.050 0.000 2.417 318 N HA 0.452 5.193 4.740 0.001 0.000 0.274 318 N C -1.597 173.690 175.510 -0.372 0.000 0.987 318 N CA -0.295 52.628 53.050 -0.211 0.000 0.912 318 N CB 0.924 39.256 38.487 -0.258 0.000 1.177 318 N HN 0.497 nan 8.380 nan 0.000 0.490 319 L N 1.836 122.820 121.223 -0.398 0.000 2.257 319 L HA 0.500 4.841 4.340 0.001 0.000 0.257 319 L C 1.001 177.670 176.870 -0.335 0.000 1.033 319 L CA -1.093 53.495 54.840 -0.418 0.000 0.835 319 L CB 1.273 43.294 42.059 -0.063 0.000 1.398 319 L HN 0.455 nan 8.230 nan 0.000 0.429 320 N N 0.854 119.480 118.700 -0.123 0.000 2.443 320 N HA -0.130 4.611 4.740 0.001 0.000 0.184 320 N C 0.306 175.792 175.510 -0.040 0.000 1.037 320 N CA 1.083 54.114 53.050 -0.030 0.000 0.896 320 N CB -0.203 38.321 38.487 0.063 0.000 0.959 320 N HN 0.629 nan 8.380 nan 0.000 0.442 321 D N -1.348 119.020 120.400 -0.053 0.000 2.571 321 D HA 0.118 4.759 4.640 0.001 0.000 0.239 321 D C 0.030 176.272 176.300 -0.096 0.000 1.267 321 D CA -0.266 53.703 54.000 -0.053 0.000 0.823 321 D CB 0.226 41.009 40.800 -0.029 0.000 1.056 321 D HN -0.043 nan 8.370 nan 0.000 0.494 322 R N 0.898 121.311 120.500 -0.145 0.000 2.605 322 R HA 0.140 4.481 4.340 0.001 0.000 0.291 322 R C -1.770 174.406 176.300 -0.206 0.000 1.226 322 R CA -0.497 55.479 56.100 -0.206 0.000 0.981 322 R CB 0.942 31.033 30.300 -0.348 0.000 1.215 322 R HN -0.101 nan 8.270 nan 0.000 0.428 323 D N 2.946 123.260 120.400 -0.143 0.000 2.338 323 D HA 0.112 4.753 4.640 0.001 0.000 0.255 323 D C 0.699 176.904 176.300 -0.159 0.000 1.237 323 D CA 0.408 54.344 54.000 -0.105 0.000 0.883 323 D CB 1.373 42.148 40.800 -0.041 0.000 1.087 323 D HN 0.808 nan 8.370 nan 0.000 0.485 324 G N 2.715 111.356 108.800 -0.267 0.000 3.042 324 G HA2 -0.107 3.853 3.960 0.001 0.000 0.212 324 G HA3 -0.107 3.853 3.960 0.001 0.000 0.212 324 G C 0.583 175.209 174.900 -0.457 0.000 1.166 324 G CA 0.147 45.043 45.100 -0.340 0.000 0.767 324 G HN 0.455 nan 8.290 nan 0.000 0.546 325 Y N -0.715 119.548 120.300 -0.062 0.000 2.559 325 Y HA 0.282 4.832 4.550 0.001 0.000 0.279 325 Y C 2.577 178.425 175.900 -0.086 0.000 1.117 325 Y CA -0.124 57.910 58.100 -0.112 0.000 1.263 325 Y CB 0.002 38.354 38.460 -0.181 0.000 1.230 325 Y HN 0.077 nan 8.280 nan 0.000 0.528 326 R N 0.625 121.164 120.500 0.064 0.000 2.127 326 R HA -0.103 4.238 4.340 0.001 0.000 0.238 326 R C -1.101 175.207 176.300 0.012 0.000 1.134 326 R CA 1.386 57.502 56.100 0.027 0.000 0.975 326 R CB -1.007 29.303 30.300 0.016 0.000 0.865 326 R HN 0.212 nan 8.270 nan 0.000 0.447 327 P HA -0.115 nan 4.420 nan 0.000 0.218 327 P C 0.846 178.152 177.300 0.011 0.000 1.149 327 P CA 1.215 64.313 63.100 -0.002 0.000 0.817 327 P CB 0.053 31.745 31.700 -0.014 0.000 0.785 328 I N -0.707 119.877 120.570 0.022 0.000 2.252 328 I HA -0.224 3.947 4.170 0.001 0.000 0.245 328 I C 2.307 178.440 176.117 0.027 0.000 1.102 328 I CA 1.390 62.712 61.300 0.037 0.000 1.385 328 I CB -0.853 37.183 38.000 0.060 0.000 1.064 328 I HN -0.087 nan 8.210 nan 0.000 0.414 329 A N 0.884 123.715 122.820 0.018 0.000 1.902 329 A HA -0.252 4.069 4.320 0.001 0.000 0.217 329 A C 2.442 180.029 177.584 0.006 0.000 1.181 329 A CA 1.851 53.891 52.037 0.005 0.000 0.623 329 A CB -0.656 18.340 19.000 -0.006 0.000 0.818 329 A HN 0.361 nan 8.150 nan 0.000 0.443 330 R N -1.114 119.390 120.500 0.006 0.000 2.075 330 R HA -0.112 4.229 4.340 0.001 0.000 0.232 330 R C 2.245 178.536 176.300 -0.015 0.000 1.126 330 R CA 1.626 57.724 56.100 -0.003 0.000 0.963 330 R CB -0.300 29.999 30.300 -0.002 0.000 0.858 330 R HN 0.507 nan 8.270 nan 0.000 0.435 331 M N 0.844 120.444 119.600 0.001 0.000 2.108 331 M HA -0.168 4.313 4.480 0.001 0.000 0.261 331 M C 1.823 178.143 176.300 0.033 0.000 1.066 331 M CA 1.718 57.025 55.300 0.012 0.000 1.107 331 M CB -0.397 32.228 32.600 0.041 0.000 1.356 331 M HN 0.307 nan 8.290 nan 0.000 0.406 332 L N 0.388 121.640 121.223 0.047 0.000 2.191 332 L HA -0.182 4.158 4.340 0.001 0.000 0.212 332 L C 2.590 179.456 176.870 -0.008 0.000 1.103 332 L CA 1.356 56.236 54.840 0.067 0.000 0.769 332 L CB -0.845 41.234 42.059 0.032 0.000 0.908 332 L HN 0.457 nan 8.230 nan 0.000 0.438 333 S N 0.883 116.551 115.700 -0.053 0.000 2.399 333 S HA -0.236 4.235 4.470 0.001 0.000 0.231 333 S C 1.990 176.440 174.600 -0.249 0.000 1.022 333 S CA 1.117 59.260 58.200 -0.094 0.000 0.983 333 S CB -0.486 62.684 63.200 -0.050 0.000 0.803 333 S HN 0.594 nan 8.310 nan 0.000 0.480 334 R N 0.432 120.738 120.500 -0.323 0.000 2.235 334 R HA 0.063 4.403 4.340 0.001 0.000 0.213 334 R C 1.417 177.262 176.300 -0.758 0.000 1.059 334 R CA 1.345 57.141 56.100 -0.506 0.000 0.997 334 R CB -0.660 29.358 30.300 -0.470 0.000 0.884 334 R HN 0.503 nan 8.270 nan 0.000 0.462 335 H N 0.176 119.031 119.070 -0.358 0.000 2.586 335 H HA 0.110 4.667 4.556 0.001 0.000 0.273 335 H C -0.283 174.908 175.328 -0.228 0.000 0.997 335 H CA 0.383 56.270 56.048 -0.269 0.000 1.177 335 H CB 0.065 29.765 29.762 -0.103 0.000 1.471 335 H HN 0.480 nan 8.280 nan 0.000 0.538 336 H N -0.837 118.258 119.070 0.042 0.000 2.820 336 H HA -0.107 4.449 4.556 0.001 0.000 0.295 336 H C 0.467 175.783 175.328 -0.021 0.000 1.187 336 H CA 0.259 56.303 56.048 -0.006 0.000 1.144 336 H CB -1.568 28.186 29.762 -0.013 0.000 1.354 336 H HN 0.488 nan 8.280 nan 0.000 0.395 337 A N 0.331 123.184 122.820 0.054 0.000 2.264 337 A HA 0.690 5.011 4.320 0.001 0.000 0.304 337 A C 0.468 178.030 177.584 -0.037 0.000 1.100 337 A CA -0.574 51.470 52.037 0.011 0.000 0.839 337 A CB 0.867 19.880 19.000 0.022 0.000 1.121 337 A HN 0.314 nan 8.150 nan 0.000 0.496 338 I N 0.606 121.144 120.570 -0.054 0.000 2.385 338 I HA 0.271 4.442 4.170 0.001 0.000 0.294 338 I C -0.276 175.833 176.117 -0.013 0.000 0.988 338 I CA -0.204 61.062 61.300 -0.057 0.000 1.265 338 I CB 1.450 39.426 38.000 -0.039 0.000 1.388 338 I HN 0.536 nan 8.210 nan 0.000 0.480 339 L N 6.693 127.911 121.223 -0.007 0.000 2.255 339 L HA 0.374 4.715 4.340 0.001 0.000 0.289 339 L C -0.413 176.486 176.870 0.048 0.000 1.046 339 L CA -0.330 54.515 54.840 0.008 0.000 0.816 339 L CB 0.421 42.465 42.059 -0.025 0.000 1.197 339 L HN 0.571 nan 8.230 nan 0.000 0.427 340 N N 5.159 123.898 118.700 0.065 0.000 2.527 340 N HA 0.148 4.888 4.740 0.001 0.000 0.236 340 N C -1.203 174.380 175.510 0.121 0.000 0.999 340 N CA -0.262 52.843 53.050 0.093 0.000 0.935 340 N CB 0.506 39.027 38.487 0.056 0.000 1.132 340 N HN 0.378 nan 8.380 nan 0.000 0.511 341 F N 3.078 123.009 119.950 -0.032 0.000 2.421 341 F HA 0.211 4.739 4.527 0.002 0.000 0.358 341 F C 1.382 177.170 175.800 -0.020 0.000 1.115 341 F CA -0.679 57.284 58.000 -0.062 0.000 1.160 341 F CB 0.732 39.664 39.000 -0.114 0.000 1.123 341 F HN 0.439 nan 8.300 nan 0.000 0.508 342 T N 1.473 115.742 114.554 -0.476 0.000 3.330 342 T HA 0.165 4.516 4.350 0.001 0.000 0.249 342 T C 0.039 174.512 174.700 -0.378 0.000 0.980 342 T CA -0.317 61.589 62.100 -0.324 0.000 0.920 342 T CB -1.010 67.744 68.868 -0.191 0.000 1.065 342 T HN 0.565 nan 8.240 nan 0.000 0.588 343 C N 1.549 120.535 119.300 -0.523 0.000 3.384 343 C HA 0.587 5.047 4.460 0.001 0.000 0.294 343 C C 0.368 175.313 174.990 -0.075 0.000 1.062 343 C CA -0.732 58.115 59.018 -0.285 0.000 1.325 343 C CB -0.674 26.887 27.740 -0.298 0.000 1.793 343 C HN 0.685 nan 8.230 nan 0.000 0.563 344 L N 3.060 124.281 121.223 -0.004 0.000 2.701 344 L HA 0.377 4.718 4.340 0.001 0.000 0.238 344 L C 2.258 179.158 176.870 0.051 0.000 1.106 344 L CA 1.109 56.004 54.840 0.092 0.000 0.898 344 L CB 0.029 42.175 42.059 0.144 0.000 1.188 344 L HN 0.762 nan 8.230 nan 0.000 0.508 345 E N -0.532 119.656 120.200 -0.021 0.000 2.472 345 E HA 0.037 4.388 4.350 0.001 0.000 0.196 345 E C 0.384 176.932 176.600 -0.086 0.000 1.033 345 E CA 0.077 56.444 56.400 -0.056 0.000 0.886 345 E CB -0.049 29.580 29.700 -0.119 0.000 0.944 345 E HN 0.367 nan 8.360 nan 0.000 0.492 346 M N 1.342 120.878 119.600 -0.106 0.000 2.250 346 M HA 0.365 4.845 4.480 0.001 0.000 0.344 346 M C 0.313 176.540 176.300 -0.121 0.000 1.150 346 M CA -0.063 55.147 55.300 -0.150 0.000 1.147 346 M CB 1.156 33.603 32.600 -0.254 0.000 1.498 346 M HN -0.241 nan 8.290 nan 0.000 0.461 347 R N 0.771 121.201 120.500 -0.116 0.000 2.637 347 R HA 0.227 4.568 4.340 0.001 0.000 0.291 347 R C -0.156 176.088 176.300 -0.094 0.000 0.963 347 R CA -0.882 55.168 56.100 -0.083 0.000 0.901 347 R CB 1.514 31.783 30.300 -0.052 0.000 1.160 347 R HN 0.637 nan 8.270 nan 0.000 0.457 348 D N 0.552 120.908 120.400 -0.074 0.000 2.133 348 D HA -0.197 4.444 4.640 0.001 0.000 0.195 348 D C 1.702 177.980 176.300 -0.038 0.000 0.997 348 D CA 2.146 56.114 54.000 -0.054 0.000 0.840 348 D CB -0.083 40.699 40.800 -0.030 0.000 0.947 348 D HN 0.548 nan 8.370 nan 0.000 0.452 349 S N 0.155 115.835 115.700 -0.033 0.000 2.469 349 S HA -0.138 4.332 4.470 0.001 0.000 0.238 349 S C 1.499 176.080 174.600 -0.032 0.000 0.998 349 S CA 0.680 58.865 58.200 -0.024 0.000 0.957 349 S CB -0.360 62.829 63.200 -0.018 0.000 0.764 349 S HN 0.358 nan 8.310 nan 0.000 0.514 350 E N 0.704 120.874 120.200 -0.050 0.000 2.481 350 E HA 0.078 4.428 4.350 0.001 0.000 0.195 350 E C 0.081 176.649 176.600 -0.053 0.000 1.047 350 E CA 0.195 56.559 56.400 -0.060 0.000 0.867 350 E CB 0.091 29.739 29.700 -0.087 0.000 0.858 350 E HN 0.548 nan 8.360 nan 0.000 0.513 351 Q N 1.546 121.327 119.800 -0.032 0.000 2.230 351 Q HA 0.268 4.609 4.340 0.001 0.000 0.253 351 Q C -2.163 173.856 176.000 0.032 0.000 0.919 351 Q CA -2.432 53.384 55.803 0.023 0.000 0.908 351 Q CB 0.500 29.282 28.738 0.073 0.000 1.245 351 Q HN 0.032 nan 8.270 nan 0.000 0.437 352 P HA -0.024 nan 4.420 nan 0.000 0.268 352 P C 0.618 177.904 177.300 -0.023 0.000 1.204 352 P CA 0.188 63.296 63.100 0.014 0.000 0.768 352 P CB 0.972 32.686 31.700 0.023 0.000 0.842 353 S N 1.953 117.635 115.700 -0.029 0.000 2.387 353 S HA -0.181 4.289 4.470 0.001 0.000 0.230 353 S C 1.365 175.919 174.600 -0.076 0.000 1.035 353 S CA 1.830 60.007 58.200 -0.039 0.000 1.014 353 S CB -0.735 62.452 63.200 -0.021 0.000 0.836 353 S HN 0.682 nan 8.310 nan 0.000 0.466 354 D N 0.516 120.861 120.400 -0.091 0.000 2.378 354 D HA 0.083 4.723 4.640 0.001 0.000 0.227 354 D C 1.375 177.481 176.300 -0.323 0.000 1.012 354 D CA 0.806 54.733 54.000 -0.122 0.000 0.905 354 D CB -0.205 40.556 40.800 -0.065 0.000 0.895 354 D HN 0.490 nan 8.370 nan 0.000 0.532 355 A N 0.655 123.236 122.820 -0.398 0.000 2.238 355 A HA 0.022 4.342 4.320 0.001 0.000 0.210 355 A C 0.821 177.915 177.584 -0.817 0.000 1.179 355 A CA -0.184 51.409 52.037 -0.740 0.000 0.827 355 A CB -0.121 18.580 19.000 -0.499 0.000 0.856 355 A HN 0.000 nan 8.150 nan 0.000 0.488 356 K N 0.495 120.638 120.400 -0.428 0.000 3.278 356 K HA -0.141 4.180 4.320 0.001 0.000 0.270 356 K C 0.028 176.567 176.600 -0.103 0.000 0.955 356 K CA 1.023 57.178 56.287 -0.221 0.000 0.723 356 K CB -2.308 30.088 32.500 -0.174 0.000 1.382 356 K HN 0.545 nan 8.250 nan 0.000 0.461 357 S N -0.409 115.287 115.700 -0.007 0.000 2.499 357 S HA 0.597 5.068 4.470 0.001 0.000 0.279 357 S C 0.728 175.410 174.600 0.136 0.000 1.219 357 S CA 0.174 58.480 58.200 0.177 0.000 1.062 357 S CB 1.287 64.694 63.200 0.345 0.000 0.978 357 S HN 0.443 nan 8.310 nan 0.000 0.489 358 G N 5.275 114.167 108.800 0.154 0.000 4.956 358 G HA2 0.345 4.306 3.960 0.001 0.000 0.290 358 G HA3 0.345 4.306 3.960 0.001 0.000 0.290 358 G C -1.628 173.175 174.900 -0.162 0.000 1.352 358 G CA -0.991 44.124 45.100 0.025 0.000 0.983 358 G HN 0.609 nan 8.290 nan 0.000 0.581 359 P HA -0.203 nan 4.420 nan 0.000 0.218 359 P C 1.442 178.628 177.300 -0.190 0.000 1.148 359 P CA 1.071 64.077 63.100 -0.157 0.000 0.822 359 P CB 0.537 32.063 31.700 -0.290 0.000 0.784 360 Q N -0.106 119.585 119.800 -0.182 0.000 2.046 360 Q HA -0.177 4.164 4.340 0.001 0.000 0.200 360 Q C 2.214 178.029 176.000 -0.309 0.000 0.975 360 Q CA 1.538 57.220 55.803 -0.202 0.000 0.836 360 Q CB -0.311 28.340 28.738 -0.145 0.000 0.896 360 Q HN 0.267 nan 8.270 nan 0.000 0.428 361 E N 0.519 120.549 120.200 -0.283 0.000 2.106 361 E HA -0.166 4.185 4.350 0.001 0.000 0.192 361 E C 1.689 178.031 176.600 -0.430 0.000 0.984 361 E CA 0.537 56.770 56.400 -0.279 0.000 0.806 361 E CB -0.168 29.503 29.700 -0.048 0.000 0.750 361 E HN 0.152 nan 8.360 nan 0.000 0.458 362 L N 0.134 120.938 121.223 -0.698 0.000 2.017 362 L HA -0.141 4.200 4.340 0.001 0.000 0.208 362 L C 2.046 178.593 176.870 -0.537 0.000 1.073 362 L CA 1.421 55.833 54.840 -0.714 0.000 0.745 362 L CB -0.530 41.147 42.059 -0.638 0.000 0.894 362 L HN 0.017 nan 8.230 nan 0.000 0.432 363 V N -0.271 119.398 119.914 -0.410 0.000 2.287 363 V HA -0.372 3.749 4.120 0.001 0.000 0.248 363 V C 2.631 178.413 176.094 -0.519 0.000 1.053 363 V CA 2.220 64.273 62.300 -0.412 0.000 1.027 363 V CB -0.652 31.082 31.823 -0.149 0.000 0.646 363 V HN 0.584 nan 8.190 nan 0.000 0.447 364 Q N -0.823 118.583 119.800 -0.657 0.000 2.135 364 Q HA -0.289 4.052 4.340 0.001 0.000 0.204 364 Q C 2.384 178.148 176.000 -0.393 0.000 0.981 364 Q CA 1.976 57.248 55.803 -0.885 0.000 0.856 364 Q CB -0.194 27.932 28.738 -1.020 0.000 0.902 364 Q HN 0.680 nan 8.270 nan 0.000 0.425 365 Q N 0.125 119.734 119.800 -0.318 0.000 2.046 365 Q HA -0.153 4.188 4.340 0.001 0.000 0.200 365 Q C 2.118 177.972 176.000 -0.242 0.000 0.975 365 Q CA 1.481 57.181 55.803 -0.172 0.000 0.836 365 Q CB 0.158 28.866 28.738 -0.050 0.000 0.896 365 Q HN 0.255 nan 8.270 nan 0.000 0.428 366 V N 1.441 121.055 119.914 -0.502 0.000 2.295 366 V HA -0.285 3.835 4.120 0.001 0.000 0.246 366 V C 2.437 178.237 176.094 -0.490 0.000 1.049 366 V CA 1.526 63.445 62.300 -0.636 0.000 1.024 366 V CB -0.616 30.432 31.823 -1.292 0.000 0.648 366 V HN 0.395 nan 8.190 nan 0.000 0.447 367 L N -0.224 120.697 121.223 -0.503 0.000 2.046 367 L HA -0.145 4.196 4.340 0.001 0.000 0.208 367 L C 2.644 179.224 176.870 -0.484 0.000 1.077 367 L CA 1.742 56.201 54.840 -0.636 0.000 0.747 367 L CB -0.907 40.818 42.059 -0.556 0.000 0.896 367 L HN 0.325 nan 8.230 nan 0.000 0.432 368 S N 0.439 116.171 115.700 0.053 0.000 2.356 368 S HA -0.134 4.337 4.470 0.001 0.000 0.223 368 S C 2.064 176.831 174.600 0.279 0.000 1.032 368 S CA 1.311 59.807 58.200 0.494 0.000 1.005 368 S CB -0.649 62.802 63.200 0.419 0.000 0.867 368 S HN 0.608 nan 8.310 nan 0.000 0.449 369 G N 1.152 109.984 108.800 0.054 0.000 2.442 369 G HA2 -0.092 3.869 3.960 0.001 0.000 0.219 369 G HA3 -0.092 3.869 3.960 0.001 0.000 0.219 369 G C 1.406 176.325 174.900 0.031 0.000 1.141 369 G CA 1.032 46.153 45.100 0.035 0.000 0.763 369 G HN 0.567 nan 8.290 nan 0.000 0.554 370 G N -0.148 108.601 108.800 -0.085 0.000 2.404 370 G HA2 -0.156 3.804 3.960 0.001 0.000 0.215 370 G HA3 -0.156 3.804 3.960 0.001 0.000 0.215 370 G C 1.583 176.507 174.900 0.040 0.000 1.174 370 G CA 0.796 45.832 45.100 -0.107 0.000 0.780 370 G HN 0.378 nan 8.290 nan 0.000 0.537 371 W N 0.856 122.236 121.300 0.134 0.000 2.402 371 W HA 0.058 4.719 4.660 0.001 0.000 0.286 371 W C 2.631 179.263 176.519 0.188 0.000 1.221 371 W CA 0.713 58.127 57.345 0.117 0.000 1.257 371 W CB -0.605 28.872 29.460 0.028 0.000 1.120 371 W HN 0.213 nan 8.180 nan 0.000 0.551 372 R N 1.169 121.954 120.500 0.476 0.000 2.091 372 R HA -0.150 4.191 4.340 0.001 0.000 0.238 372 R C 1.636 178.053 176.300 0.196 0.000 1.136 372 R CA 1.625 57.923 56.100 0.330 0.000 0.959 372 R CB -0.467 29.959 30.300 0.210 0.000 0.856 372 R HN -0.143 nan 8.270 nan 0.000 0.437 373 E N 0.491 120.780 120.200 0.148 0.000 2.502 373 E HA -0.039 4.312 4.350 0.001 0.000 0.194 373 E C -0.310 176.346 176.600 0.093 0.000 1.062 373 E CA 0.423 56.878 56.400 0.092 0.000 0.867 373 E CB -0.085 29.647 29.700 0.054 0.000 0.888 373 E HN 0.318 nan 8.360 nan 0.000 0.510 374 D N 0.536 121.020 120.400 0.140 0.000 2.699 374 D HA -0.187 4.454 4.640 0.001 0.000 0.239 374 D C -0.422 175.934 176.300 0.093 0.000 1.136 374 D CA 0.527 54.603 54.000 0.126 0.000 0.668 374 D CB -1.484 39.370 40.800 0.090 0.000 1.060 374 D HN 0.433 nan 8.370 nan 0.000 0.429 375 I N -3.424 117.203 120.570 0.094 0.000 3.067 375 I HA 0.700 4.871 4.170 0.001 0.000 0.312 375 I C 0.210 176.356 176.117 0.048 0.000 1.073 375 I CA -1.453 59.869 61.300 0.037 0.000 1.016 375 I CB 1.552 39.554 38.000 0.004 0.000 1.227 375 I HN -0.231 nan 8.210 nan 0.000 0.456 376 R N 1.865 122.337 120.500 -0.047 0.000 2.441 376 R HA 0.663 5.004 4.340 0.001 0.000 0.284 376 R C -1.103 175.196 176.300 -0.002 0.000 1.070 376 R CA -0.463 55.603 56.100 -0.057 0.000 1.047 376 R CB 1.542 31.566 30.300 -0.459 0.000 1.016 376 R HN 0.496 nan 8.270 nan 0.000 0.477 377 V N 1.974 121.954 119.914 0.109 0.000 2.531 377 V HA 0.734 4.855 4.120 0.001 0.000 0.301 377 V C -0.285 175.930 176.094 0.202 0.000 1.034 377 V CA -0.749 61.574 62.300 0.038 0.000 0.865 377 V CB 1.619 33.290 31.823 -0.254 0.000 0.995 377 V HN 0.950 nan 8.190 nan 0.000 0.424 378 A N 3.213 126.148 122.820 0.191 0.000 2.387 378 A HA 1.074 5.394 4.320 0.001 0.000 0.298 378 A C 0.081 177.790 177.584 0.209 0.000 1.165 378 A CA -0.134 52.058 52.037 0.258 0.000 0.814 378 A CB 2.024 21.195 19.000 0.285 0.000 1.357 378 A HN 1.276 nan 8.150 nan 0.000 0.443 379 G N -1.242 107.691 108.800 0.222 0.000 2.687 379 G HA2 0.603 4.563 3.960 0.001 0.000 0.291 379 G HA3 0.603 4.563 3.960 0.001 0.000 0.291 379 G C -1.561 173.440 174.900 0.168 0.000 1.420 379 G CA -0.224 44.993 45.100 0.195 0.000 0.796 379 G HN 0.903 nan 8.290 nan 0.000 0.485 380 Q N -0.284 119.581 119.800 0.108 0.000 2.479 380 Q HA 0.168 4.509 4.340 0.001 0.000 0.276 380 Q C -1.336 174.668 176.000 0.006 0.000 0.989 380 Q CA -0.809 55.040 55.803 0.077 0.000 0.864 380 Q CB 1.848 30.609 28.738 0.038 0.000 1.444 380 Q HN 0.804 nan 8.270 nan 0.000 0.388 381 N N 1.369 120.057 118.700 -0.020 0.000 2.530 381 N HA 0.170 4.910 4.740 0.001 0.000 0.273 381 N C 0.218 175.651 175.510 -0.128 0.000 1.173 381 N CA 0.630 53.625 53.050 -0.092 0.000 0.967 381 N CB 1.475 39.867 38.487 -0.159 0.000 1.109 381 N HN 0.649 nan 8.380 nan 0.000 0.453 382 A N 2.406 125.152 122.820 -0.125 0.000 1.935 382 A HA 0.176 4.497 4.320 0.001 0.000 0.214 382 A C 0.963 178.479 177.584 -0.113 0.000 1.178 382 A CA 0.527 52.502 52.037 -0.102 0.000 0.640 382 A CB -0.033 18.928 19.000 -0.064 0.000 0.825 382 A HN 0.661 nan 8.150 nan 0.000 0.447 383 L N 0.013 121.144 121.223 -0.154 0.000 2.354 383 L HA 0.395 4.735 4.340 0.001 0.000 0.264 383 L C -2.562 174.157 176.870 -0.252 0.000 1.008 383 L CA -2.590 52.148 54.840 -0.170 0.000 0.819 383 L CB 2.165 44.131 42.059 -0.155 0.000 1.339 383 L HN -0.036 nan 8.230 nan 0.000 0.420 384 P HA 0.137 nan 4.420 nan 0.000 0.267 384 P C -1.162 175.859 177.300 -0.465 0.000 1.209 384 P CA -0.108 62.752 63.100 -0.400 0.000 0.763 384 P CB 0.698 32.247 31.700 -0.251 0.000 0.816 385 R N 2.879 122.987 120.500 -0.652 0.000 2.725 385 R HA 0.330 4.670 4.340 0.001 0.000 0.277 385 R C -0.341 175.515 176.300 -0.740 0.000 0.987 385 R CA -0.583 55.180 56.100 -0.561 0.000 0.901 385 R CB 1.425 31.468 30.300 -0.429 0.000 1.207 385 R HN 0.470 nan 8.270 nan 0.000 0.463 386 Y N -0.853 119.375 120.300 -0.118 0.000 2.610 386 Y HA 0.090 4.640 4.550 0.001 0.000 0.254 386 Y C 0.458 176.360 175.900 0.003 0.000 1.110 386 Y CA -0.696 57.410 58.100 0.009 0.000 1.238 386 Y CB 0.795 39.315 38.460 0.100 0.000 1.322 386 Y HN 0.470 nan 8.280 nan 0.000 0.547 387 D N 0.205 120.579 120.400 -0.044 0.000 2.312 387 D HA 0.302 4.943 4.640 0.001 0.000 0.248 387 D C 1.204 177.500 176.300 -0.006 0.000 1.086 387 D CA 0.215 54.223 54.000 0.014 0.000 0.948 387 D CB 2.089 42.884 40.800 -0.009 0.000 1.162 387 D HN 0.081 nan 8.370 nan 0.000 0.446 388 A N 1.511 124.407 122.820 0.127 0.000 1.933 388 A HA -0.203 4.118 4.320 0.001 0.000 0.218 388 A C 2.151 179.784 177.584 0.082 0.000 1.175 388 A CA 2.321 54.461 52.037 0.172 0.000 0.628 388 A CB -1.068 18.005 19.000 0.122 0.000 0.814 388 A HN 0.744 nan 8.150 nan 0.000 0.444 389 T N -0.655 113.909 114.554 0.016 0.000 2.788 389 T HA -0.045 4.305 4.350 0.001 0.000 0.268 389 T C 1.940 176.617 174.700 -0.040 0.000 1.044 389 T CA 2.107 64.205 62.100 -0.003 0.000 1.139 389 T CB -0.462 68.396 68.868 -0.017 0.000 0.867 389 T HN 0.554 nan 8.240 nan 0.000 0.454 390 A N -0.069 122.671 122.820 -0.133 0.000 1.873 390 A HA 0.028 4.349 4.320 0.001 0.000 0.215 390 A C 2.105 179.574 177.584 -0.192 0.000 1.186 390 A CA 1.611 53.517 52.037 -0.218 0.000 0.616 390 A CB -1.175 17.596 19.000 -0.383 0.000 0.823 390 A HN 0.638 nan 8.150 nan 0.000 0.442 391 Y N 0.799 121.016 120.300 -0.139 0.000 2.224 391 Y HA -0.164 4.386 4.550 0.001 0.000 0.289 391 Y C 2.394 178.295 175.900 0.003 0.000 1.146 391 Y CA 1.306 59.275 58.100 -0.218 0.000 1.182 391 Y CB -0.537 37.777 38.460 -0.243 0.000 0.983 391 Y HN 0.311 nan 8.280 nan 0.000 0.524 392 N N -0.145 118.655 118.700 0.167 0.000 2.244 392 N HA -0.159 4.581 4.740 0.001 0.000 0.183 392 N C 1.838 177.419 175.510 0.117 0.000 1.016 392 N CA 1.095 54.224 53.050 0.132 0.000 0.866 392 N CB -0.296 38.244 38.487 0.089 0.000 0.980 392 N HN 0.372 nan 8.380 nan 0.000 0.430 393 Q N 0.813 120.666 119.800 0.088 0.000 2.123 393 Q HA 0.146 4.487 4.340 0.001 0.000 0.199 393 Q C 1.918 178.003 176.000 0.141 0.000 0.966 393 Q CA 0.866 56.727 55.803 0.095 0.000 0.845 393 Q CB -0.126 28.637 28.738 0.042 0.000 0.907 393 Q HN 0.358 nan 8.270 nan 0.000 0.439 394 I N -0.272 120.387 120.570 0.148 0.000 2.252 394 I HA -0.245 3.925 4.170 0.001 0.000 0.245 394 I C 1.942 178.210 176.117 0.252 0.000 1.102 394 I CA 0.996 62.425 61.300 0.216 0.000 1.385 394 I CB -0.228 37.926 38.000 0.257 0.000 1.064 394 I HN 0.220 nan 8.210 nan 0.000 0.414 395 I N 0.134 120.856 120.570 0.254 0.000 2.286 395 I HA -0.288 3.883 4.170 0.001 0.000 0.248 395 I C 2.479 178.660 176.117 0.108 0.000 1.115 395 I CA 0.984 62.381 61.300 0.161 0.000 1.392 395 I CB -0.250 37.825 38.000 0.126 0.000 1.065 395 I HN 0.251 nan 8.210 nan 0.000 0.418 396 L N 1.246 122.547 121.223 0.131 0.000 1.994 396 L HA -0.210 4.131 4.340 0.001 0.000 0.208 396 L C 2.145 179.101 176.870 0.144 0.000 1.071 396 L CA 1.986 56.898 54.840 0.119 0.000 0.745 396 L CB -0.985 41.179 42.059 0.176 0.000 0.892 396 L HN 0.210 nan 8.230 nan 0.000 0.431 397 N N 0.131 118.999 118.700 0.280 0.000 2.289 397 N HA -0.127 4.613 4.740 0.001 0.000 0.184 397 N C 1.771 177.447 175.510 0.276 0.000 1.016 397 N CA 1.339 54.629 53.050 0.400 0.000 0.872 397 N CB -0.364 38.368 38.487 0.408 0.000 0.973 397 N HN 0.563 nan 8.380 nan 0.000 0.433 398 A N 0.707 123.642 122.820 0.192 0.000 1.930 398 A HA -0.005 4.316 4.320 0.001 0.000 0.217 398 A C 1.105 178.734 177.584 0.076 0.000 1.175 398 A CA 1.043 53.175 52.037 0.158 0.000 0.627 398 A CB 0.084 19.143 19.000 0.099 0.000 0.815 398 A HN 0.173 nan 8.150 nan 0.000 0.443 399 R N -1.241 119.246 120.500 -0.021 0.000 2.734 399 R HA 0.225 4.565 4.340 0.001 0.000 0.268 399 R C -2.473 173.683 176.300 -0.240 0.000 1.785 399 R CA -1.512 54.505 56.100 -0.138 0.000 1.461 399 R CB 1.094 31.323 30.300 -0.119 0.000 1.308 399 R HN 0.146 nan 8.270 nan 0.000 0.586 400 P HA -0.207 nan 4.420 nan 0.000 0.217 400 P C 0.487 177.486 177.300 -0.502 0.000 1.151 400 P CA 1.445 64.051 63.100 -0.823 0.000 0.849 400 P CB 0.325 31.120 31.700 -1.508 0.000 0.787 401 Q N -1.309 118.266 119.800 -0.375 0.000 2.189 401 Q HA 0.366 4.706 4.340 0.001 0.000 0.221 401 Q C 0.706 176.608 176.000 -0.163 0.000 0.848 401 Q CA -0.026 55.640 55.803 -0.229 0.000 1.007 401 Q CB 0.350 28.957 28.738 -0.219 0.000 1.116 401 Q HN 0.140 nan 8.270 nan 0.000 0.481 402 G N 0.514 109.219 108.800 -0.157 0.000 2.741 402 G HA2 -0.252 3.708 3.960 0.001 0.000 0.222 402 G HA3 -0.252 3.708 3.960 0.001 0.000 0.222 402 G C -0.138 174.694 174.900 -0.114 0.000 1.364 402 G CA -0.446 44.588 45.100 -0.111 0.000 0.866 402 G HN 0.492 nan 8.290 nan 0.000 0.555 403 V N -1.721 118.140 119.914 -0.090 0.000 3.036 403 V HA 0.790 4.911 4.120 0.001 0.000 0.308 403 V C 0.399 176.447 176.094 -0.077 0.000 1.070 403 V CA -0.225 62.024 62.300 -0.085 0.000 1.056 403 V CB 1.835 33.615 31.823 -0.073 0.000 1.084 403 V HN 1.446 nan 8.190 nan 0.000 0.471 404 N N 1.543 120.200 118.700 -0.072 0.000 2.399 404 N HA 0.418 5.159 4.740 0.001 0.000 0.280 404 N C -0.011 175.469 175.510 -0.050 0.000 1.008 404 N CA -0.551 52.461 53.050 -0.063 0.000 0.894 404 N CB 1.567 40.012 38.487 -0.070 0.000 1.273 404 N HN 0.725 nan 8.380 nan 0.000 0.486 405 N N 1.909 120.583 118.700 -0.043 0.000 2.463 405 N HA 0.104 4.845 4.740 0.001 0.000 0.181 405 N C 0.454 175.945 175.510 -0.033 0.000 1.078 405 N CA 0.492 53.520 53.050 -0.036 0.000 0.902 405 N CB 0.105 38.572 38.487 -0.033 0.000 0.970 405 N HN 0.624 nan 8.380 nan 0.000 0.451 406 N N -0.934 117.745 118.700 -0.034 0.000 2.368 406 N HA 0.139 4.880 4.740 0.001 0.000 0.176 406 N C 0.908 176.399 175.510 -0.030 0.000 1.021 406 N CA 0.587 53.619 53.050 -0.030 0.000 0.888 406 N CB 0.508 38.977 38.487 -0.030 0.000 0.995 406 N HN 0.169 nan 8.380 nan 0.000 0.437 407 G N 0.342 109.121 108.800 -0.035 0.000 2.562 407 G HA2 0.177 4.137 3.960 0.001 0.000 0.190 407 G HA3 0.177 4.137 3.960 0.001 0.000 0.190 407 G C -2.977 171.901 174.900 -0.037 0.000 1.196 407 G CA -0.504 44.577 45.100 -0.032 0.000 0.986 407 G HN -0.190 nan 8.290 nan 0.000 0.512 408 P HA 0.313 nan 4.420 nan 0.000 0.275 408 P C -2.636 174.620 177.300 -0.074 0.000 1.228 408 P CA -0.931 62.144 63.100 -0.040 0.000 0.786 408 P CB 1.076 32.760 31.700 -0.025 0.000 0.927 409 P HA 0.092 nan 4.420 nan 0.000 0.272 409 P C 0.818 178.001 177.300 -0.195 0.000 1.223 409 P CA -0.194 62.821 63.100 -0.143 0.000 0.784 409 P CB 1.166 32.773 31.700 -0.155 0.000 0.923 410 K N 1.543 121.805 120.400 -0.230 0.000 2.147 410 K HA -0.023 4.298 4.320 0.001 0.000 0.205 410 K C 0.265 176.579 176.600 -0.477 0.000 1.049 410 K CA 1.025 57.139 56.287 -0.288 0.000 0.936 410 K CB -0.080 32.265 32.500 -0.258 0.000 0.722 410 K HN 0.459 nan 8.250 nan 0.000 0.446 411 L N 0.861 121.735 121.223 -0.583 0.000 2.410 411 L HA 0.313 4.653 4.340 0.001 0.000 0.270 411 L C -1.001 175.446 176.870 -0.705 0.000 0.983 411 L CA -0.847 53.405 54.840 -0.980 0.000 0.822 411 L CB 2.144 43.410 42.059 -1.321 0.000 1.285 411 L HN 0.032 nan 8.230 nan 0.000 0.409 412 S N 2.256 117.602 115.700 -0.590 0.000 2.537 412 S HA 0.660 5.131 4.470 0.001 0.000 0.271 412 S C -0.875 173.893 174.600 0.281 0.000 1.148 412 S CA -1.053 57.083 58.200 -0.107 0.000 0.868 412 S CB 1.661 64.835 63.200 -0.045 0.000 1.115 412 S HN 0.505 nan 8.310 nan 0.000 0.461 413 M N 1.874 121.716 119.600 0.403 0.000 2.228 413 M HA 0.373 4.853 4.480 0.001 0.000 0.326 413 M C 0.402 176.977 176.300 0.459 0.000 1.122 413 M CA -0.449 55.148 55.300 0.496 0.000 1.161 413 M CB 0.273 33.101 32.600 0.380 0.000 1.437 413 M HN 0.849 nan 8.290 nan 0.000 0.465 414 F N 0.580 120.725 119.950 0.325 0.000 2.558 414 F HA 0.270 4.797 4.527 0.001 0.000 0.298 414 F C 0.861 176.931 175.800 0.450 0.000 1.119 414 F CA 0.772 58.993 58.000 0.368 0.000 1.451 414 F CB 0.301 39.439 39.000 0.231 0.000 1.091 414 F HN 0.561 nan 8.300 nan 0.000 0.563 415 G N -0.681 108.341 108.800 0.370 0.000 2.338 415 G HA2 0.453 4.413 3.960 0.001 0.000 0.295 415 G HA3 0.453 4.413 3.960 0.001 0.000 0.295 415 G C -2.310 172.784 174.900 0.325 0.000 1.461 415 G CA -0.554 44.739 45.100 0.321 0.000 0.817 415 G HN -0.020 nan 8.290 nan 0.000 0.556 416 V N 0.160 120.261 119.914 0.312 0.000 2.686 416 V HA 0.721 4.842 4.120 0.001 0.000 0.306 416 V C -0.231 176.104 176.094 0.401 0.000 1.065 416 V CA -0.663 61.827 62.300 0.317 0.000 0.894 416 V CB 2.180 34.175 31.823 0.287 0.000 1.004 416 V HN 0.919 nan 8.190 nan 0.000 0.424 417 T N 4.167 118.943 114.554 0.369 0.000 2.771 417 T HA 0.461 4.812 4.350 0.001 0.000 0.281 417 T C -0.983 173.926 174.700 0.350 0.000 0.982 417 T CA -0.204 62.125 62.100 0.381 0.000 0.978 417 T CB 0.820 69.843 68.868 0.258 0.000 0.930 417 T HN 0.533 nan 8.240 nan 0.000 0.447 418 Y N 3.945 124.420 120.300 0.292 0.000 2.326 418 Y HA 0.594 5.144 4.550 0.001 0.000 0.337 418 Y C -0.621 175.376 175.900 0.162 0.000 1.023 418 Y CA -1.186 57.069 58.100 0.259 0.000 1.143 418 Y CB 0.667 39.392 38.460 0.441 0.000 1.183 418 Y HN 0.585 nan 8.280 nan 0.000 0.485 419 L N 8.565 129.460 121.223 -0.546 0.000 2.287 419 L HA 0.633 4.974 4.340 0.001 0.000 0.287 419 L C -0.867 175.535 176.870 -0.781 0.000 1.022 419 L CA -0.419 54.167 54.840 -0.424 0.000 0.814 419 L CB 0.425 42.328 42.059 -0.260 0.000 1.217 419 L HN 0.879 nan 8.230 nan 0.000 0.420 420 R N 3.996 124.284 120.500 -0.352 0.000 2.752 420 R HA 0.395 4.736 4.340 0.001 0.000 0.271 420 R C -1.838 174.538 176.300 0.127 0.000 1.026 420 R CA -0.953 55.124 56.100 -0.037 0.000 0.901 420 R CB 1.438 31.730 30.300 -0.013 0.000 1.243 420 R HN 0.583 nan 8.270 nan 0.000 0.463 421 L N 2.426 123.733 121.223 0.139 0.000 2.410 421 L HA 0.378 4.718 4.340 0.001 0.000 0.273 421 L C -0.968 175.956 176.870 0.090 0.000 1.144 421 L CA 1.051 55.961 54.840 0.116 0.000 0.863 421 L CB 0.820 42.935 42.059 0.094 0.000 1.140 421 L HN 0.773 nan 8.230 nan 0.000 0.463 422 S N 1.803 117.549 115.700 0.077 0.000 2.611 422 S HA 0.413 4.884 4.470 0.001 0.000 0.268 422 S C 0.132 174.735 174.600 0.005 0.000 1.156 422 S CA -0.656 57.577 58.200 0.055 0.000 0.817 422 S CB 0.765 64.022 63.200 0.095 0.000 1.122 422 S HN 0.576 nan 8.310 nan 0.000 0.466 423 D N 0.873 121.262 120.400 -0.019 0.000 2.178 423 D HA -0.065 4.575 4.640 0.001 0.000 0.201 423 D C 0.845 177.092 176.300 -0.088 0.000 0.980 423 D CA 1.336 55.299 54.000 -0.061 0.000 0.842 423 D CB -0.318 40.450 40.800 -0.052 0.000 0.948 423 D HN 0.560 nan 8.370 nan 0.000 0.472 424 D N 0.516 120.865 120.400 -0.085 0.000 2.117 424 D HA -0.128 4.512 4.640 0.001 0.000 0.197 424 D C 2.131 178.279 176.300 -0.254 0.000 0.987 424 D CA 0.302 54.170 54.000 -0.221 0.000 0.829 424 D CB -0.371 40.250 40.800 -0.298 0.000 0.961 424 D HN 0.147 nan 8.370 nan 0.000 0.460 425 L N 0.409 121.617 121.223 -0.026 0.000 2.083 425 L HA -0.116 4.225 4.340 0.001 0.000 0.209 425 L C 1.758 178.623 176.870 -0.008 0.000 1.083 425 L CA 1.373 56.282 54.840 0.115 0.000 0.752 425 L CB -0.313 41.854 42.059 0.180 0.000 0.899 425 L HN 0.013 nan 8.230 nan 0.000 0.433 426 L N -0.218 120.899 121.223 -0.175 0.000 2.465 426 L HA 0.001 4.341 4.340 0.001 0.000 0.224 426 L C 1.234 177.989 176.870 -0.193 0.000 1.145 426 L CA 0.668 55.275 54.840 -0.388 0.000 0.834 426 L CB -1.560 40.253 42.059 -0.409 0.000 0.944 426 L HN 0.512 nan 8.230 nan 0.000 0.451 427 Q N 1.553 121.293 119.800 -0.100 0.000 2.304 427 Q HA -0.135 4.205 4.340 0.001 0.000 0.301 427 Q C 1.373 177.390 176.000 0.028 0.000 1.063 427 Q CA 0.166 55.935 55.803 -0.056 0.000 0.947 427 Q CB 0.904 29.591 28.738 -0.085 0.000 1.201 427 Q HN 0.087 nan 8.270 nan 0.000 0.389 428 K N 2.885 123.305 120.400 0.033 0.000 2.030 428 K HA -0.262 4.059 4.320 0.001 0.000 0.222 428 K C 1.534 178.198 176.600 0.108 0.000 1.056 428 K CA 2.719 59.055 56.287 0.082 0.000 0.957 428 K CB -0.569 31.958 32.500 0.045 0.000 0.727 428 K HN 0.681 nan 8.250 nan 0.000 0.452 429 S N 1.302 117.042 115.700 0.066 0.000 2.368 429 S HA -0.103 4.368 4.470 0.001 0.000 0.225 429 S C 1.748 176.412 174.600 0.106 0.000 1.030 429 S CA 1.341 59.583 58.200 0.069 0.000 0.999 429 S CB -0.387 62.838 63.200 0.042 0.000 0.844 429 S HN 0.376 nan 8.310 nan 0.000 0.459 430 N N 1.038 119.802 118.700 0.106 0.000 2.084 430 N HA -0.031 4.710 4.740 0.001 0.000 0.190 430 N C 1.403 177.080 175.510 0.280 0.000 1.030 430 N CA 0.948 54.102 53.050 0.173 0.000 0.849 430 N CB -0.634 37.886 38.487 0.055 0.000 1.012 430 N HN 0.312 nan 8.380 nan 0.000 0.423 431 F N 1.949 121.939 119.950 0.066 0.000 2.216 431 F HA -0.088 4.440 4.527 0.002 0.000 0.300 431 F C 2.029 177.894 175.800 0.108 0.000 1.085 431 F CA 0.873 58.924 58.000 0.085 0.000 1.326 431 F CB -0.548 38.470 39.000 0.030 0.000 1.027 431 F HN 0.016 nan 8.300 nan 0.000 0.497 432 N N 0.324 119.092 118.700 0.113 0.000 2.120 432 N HA -0.167 4.574 4.740 0.001 0.000 0.188 432 N C 1.900 177.380 175.510 -0.050 0.000 1.024 432 N CA 1.797 54.844 53.050 -0.004 0.000 0.852 432 N CB -0.243 38.266 38.487 0.036 0.000 1.003 432 N HN 0.318 nan 8.380 nan 0.000 0.424 433 I N -0.849 119.735 120.570 0.024 0.000 2.286 433 I HA -0.192 3.979 4.170 0.001 0.000 0.245 433 I C 1.703 177.712 176.117 -0.179 0.000 1.104 433 I CA 0.580 61.877 61.300 -0.005 0.000 1.397 433 I CB -0.271 37.820 38.000 0.151 0.000 1.072 433 I HN 0.117 nan 8.210 nan 0.000 0.417 434 F N 2.309 122.077 119.950 -0.305 0.000 2.161 434 F HA -0.232 4.296 4.527 0.002 0.000 0.300 434 F C 2.366 177.899 175.800 -0.445 0.000 1.089 434 F CA 1.721 59.431 58.000 -0.483 0.000 1.282 434 F CB -0.229 38.609 39.000 -0.269 0.000 1.010 434 F HN -0.138 nan 8.300 nan 0.000 0.485 435 K N 0.158 120.304 120.400 -0.424 0.000 2.097 435 K HA -0.181 4.139 4.320 0.001 0.000 0.206 435 K C 2.056 178.387 176.600 -0.448 0.000 1.049 435 K CA 1.690 57.684 56.287 -0.489 0.000 0.933 435 K CB -0.188 32.073 32.500 -0.399 0.000 0.717 435 K HN 0.274 nan 8.250 nan 0.000 0.442 436 K N 0.062 120.255 120.400 -0.345 0.000 2.097 436 K HA -0.127 4.194 4.320 0.001 0.000 0.205 436 K C 1.994 178.384 176.600 -0.350 0.000 1.050 436 K CA 1.096 57.213 56.287 -0.282 0.000 0.938 436 K CB -0.190 32.205 32.500 -0.176 0.000 0.718 436 K HN 0.080 nan 8.250 nan 0.000 0.442 437 F N 1.829 121.394 119.950 -0.642 0.000 2.102 437 F HA -0.221 4.306 4.527 0.001 0.000 0.298 437 F C 1.853 177.226 175.800 -0.711 0.000 1.105 437 F CA 1.176 58.745 58.000 -0.718 0.000 1.239 437 F CB -0.572 37.707 39.000 -1.202 0.000 0.991 437 F HN -0.296 nan 8.300 nan 0.000 0.474 438 V N 0.727 119.939 119.914 -1.170 0.000 2.287 438 V HA -0.285 3.836 4.120 0.001 0.000 0.248 438 V C 2.471 177.919 176.094 -1.077 0.000 1.053 438 V CA 1.867 63.394 62.300 -1.289 0.000 1.027 438 V CB -0.975 30.226 31.823 -1.036 0.000 0.646 438 V HN 0.487 nan 8.190 nan 0.000 0.447 439 L N 0.160 120.971 121.223 -0.686 0.000 2.012 439 L HA -0.161 4.180 4.340 0.001 0.000 0.210 439 L C 2.425 179.050 176.870 -0.408 0.000 1.073 439 L CA 2.008 56.580 54.840 -0.446 0.000 0.748 439 L CB -0.708 41.176 42.059 -0.291 0.000 0.891 439 L HN 0.150 nan 8.230 nan 0.000 0.431 440 K N -1.022 119.130 120.400 -0.412 0.000 2.148 440 K HA -0.046 4.275 4.320 0.001 0.000 0.204 440 K C 2.038 178.414 176.600 -0.373 0.000 1.050 440 K CA 1.124 57.225 56.287 -0.309 0.000 0.942 440 K CB -0.466 31.906 32.500 -0.212 0.000 0.724 440 K HN 0.339 nan 8.250 nan 0.000 0.446 441 M N 0.074 119.315 119.600 -0.598 0.000 2.229 441 M HA -0.105 4.376 4.480 0.001 0.000 0.264 441 M C 1.432 177.413 176.300 -0.531 0.000 1.063 441 M CA 1.531 56.474 55.300 -0.595 0.000 1.114 441 M CB -0.933 31.132 32.600 -0.893 0.000 1.387 441 M HN 0.283 nan 8.290 nan 0.000 0.420 442 H N -0.131 118.499 119.070 -0.733 0.000 2.543 442 H HA 0.291 4.848 4.556 0.001 0.000 0.269 442 H C 0.736 175.786 175.328 -0.464 0.000 1.005 442 H CA 0.029 55.519 56.048 -0.929 0.000 1.146 442 H CB 0.096 29.321 29.762 -0.895 0.000 1.353 442 H HN 0.469 nan 8.280 nan 0.000 0.595 443 A N 1.673 124.352 122.820 -0.235 0.000 2.739 443 A HA -0.271 4.050 4.320 0.001 0.000 0.296 443 A C 0.458 177.979 177.584 -0.106 0.000 1.488 443 A CA 0.756 52.704 52.037 -0.148 0.000 0.746 443 A CB -1.968 16.967 19.000 -0.109 0.000 1.047 443 A HN 0.731 nan 8.150 nan 0.000 0.477 444 D N -2.393 117.934 120.400 -0.122 0.000 3.079 444 D HA -0.167 4.474 4.640 0.001 0.000 0.214 444 D C 0.270 176.538 176.300 -0.054 0.000 1.145 444 D CA 2.073 56.019 54.000 -0.090 0.000 0.958 444 D CB -0.534 40.222 40.800 -0.074 0.000 1.117 444 D HN 0.888 nan 8.370 nan 0.000 0.416 445 Q N 0.539 120.321 119.800 -0.031 0.000 2.205 445 Q HA 0.378 4.719 4.340 0.001 0.000 0.249 445 Q C 0.238 176.266 176.000 0.046 0.000 0.948 445 Q CA -0.413 55.397 55.803 0.012 0.000 0.895 445 Q CB 0.978 29.747 28.738 0.052 0.000 1.249 445 Q HN 0.058 nan 8.270 nan 0.000 0.458 446 D N 0.473 120.900 120.400 0.045 0.000 2.360 446 D HA 0.006 4.646 4.640 0.001 0.000 0.242 446 D C -0.233 176.148 176.300 0.134 0.000 1.184 446 D CA -0.128 53.922 54.000 0.083 0.000 0.930 446 D CB 0.229 41.060 40.800 0.052 0.000 1.161 446 D HN 0.335 nan 8.370 nan 0.000 0.447 447 Y N 0.686 121.031 120.300 0.076 0.000 2.811 447 Y HA -0.013 4.538 4.550 0.001 0.000 0.334 447 Y C -0.272 175.625 175.900 -0.004 0.000 1.247 447 Y CA -0.483 57.652 58.100 0.058 0.000 1.526 447 Y CB 0.324 38.831 38.460 0.079 0.000 1.284 447 Y HN 0.247 nan 8.280 nan 0.000 0.586 448 C N 8.043 126.847 119.300 -0.825 0.000 2.291 448 C HA 0.696 5.157 4.460 0.001 0.000 0.322 448 C C 1.258 175.656 174.990 -0.986 0.000 1.205 448 C CA -0.147 58.380 59.018 -0.817 0.000 1.495 448 C CB -1.038 26.258 27.740 -0.739 0.000 2.127 448 C HN 1.091 nan 8.230 nan 0.000 0.452 449 A N 4.495 126.787 122.820 -0.880 0.000 1.969 449 A HA -0.023 4.298 4.320 0.001 0.000 0.218 449 A C 1.216 178.663 177.584 -0.229 0.000 1.169 449 A CA 1.254 53.016 52.037 -0.459 0.000 0.635 449 A CB -0.276 18.634 19.000 -0.149 0.000 0.810 449 A HN 0.820 nan 8.150 nan 0.000 0.445 450 N N -0.106 118.438 118.700 -0.259 0.000 2.500 450 N HA 0.275 5.016 4.740 0.001 0.000 0.236 450 N C -2.351 172.918 175.510 -0.402 0.000 1.022 450 N CA -2.162 50.746 53.050 -0.236 0.000 0.935 450 N CB 1.288 39.662 38.487 -0.188 0.000 1.147 450 N HN -0.083 nan 8.380 nan 0.000 0.512 451 P HA -0.154 nan 4.420 nan 0.000 0.219 451 P C 1.166 177.966 177.300 -0.833 0.000 1.146 451 P CA 1.023 63.559 63.100 -0.940 0.000 0.808 451 P CB 0.390 31.837 31.700 -0.421 0.000 0.779 452 Q N 0.293 119.840 119.800 -0.422 0.000 2.135 452 Q HA -0.209 4.132 4.340 0.001 0.000 0.204 452 Q C 1.835 177.671 176.000 -0.273 0.000 0.981 452 Q CA 1.553 57.194 55.803 -0.268 0.000 0.856 452 Q CB -0.230 28.409 28.738 -0.165 0.000 0.902 452 Q HN 0.205 nan 8.270 nan 0.000 0.425 453 K N -0.083 120.128 120.400 -0.315 0.000 2.152 453 K HA -0.185 4.136 4.320 0.001 0.000 0.206 453 K C 0.954 177.468 176.600 -0.144 0.000 1.048 453 K CA 1.547 57.709 56.287 -0.210 0.000 0.933 453 K CB -0.123 32.258 32.500 -0.197 0.000 0.721 453 K HN 0.477 nan 8.250 nan 0.000 0.447 454 Y N -0.840 119.322 120.300 -0.229 0.000 2.756 454 Y HA 0.345 4.896 4.550 0.001 0.000 0.300 454 Y C -0.348 175.533 175.900 -0.032 0.000 1.113 454 Y CA -0.984 56.998 58.100 -0.198 0.000 1.291 454 Y CB -0.992 37.238 38.460 -0.384 0.000 1.175 454 Y HN 0.047 nan 8.280 nan 0.000 0.534 455 N N 1.164 119.856 118.700 -0.014 0.000 2.740 455 N HA -0.281 4.460 4.740 0.001 0.000 0.248 455 N C -0.794 174.838 175.510 0.203 0.000 1.062 455 N CA 0.535 53.628 53.050 0.073 0.000 0.704 455 N CB -0.907 37.651 38.487 0.118 0.000 0.968 455 N HN 0.686 nan 8.380 nan 0.000 0.547 456 H N -0.806 118.143 119.070 -0.202 0.000 2.549 456 H HA 0.437 4.994 4.556 0.001 0.000 0.253 456 H C 0.189 175.448 175.328 -0.115 0.000 1.170 456 H CA 0.484 56.464 56.048 -0.113 0.000 0.943 456 H CB 0.493 30.096 29.762 -0.266 0.000 1.849 456 H HN 0.441 nan 8.280 nan 0.000 0.603 457 A N 1.037 123.842 122.820 -0.025 0.000 2.477 457 A HA 0.311 4.632 4.320 0.001 0.000 0.246 457 A C 0.073 177.665 177.584 0.014 0.000 1.078 457 A CA 0.001 52.016 52.037 -0.036 0.000 0.770 457 A CB -0.122 18.850 19.000 -0.047 0.000 1.011 457 A HN 0.438 nan 8.150 nan 0.000 0.494 458 I N 2.898 123.480 120.570 0.021 0.000 2.339 458 I HA 0.294 4.465 4.170 0.001 0.000 0.290 458 I C 0.758 176.883 176.117 0.013 0.000 0.994 458 I CA -0.324 60.999 61.300 0.038 0.000 1.191 458 I CB 1.813 39.852 38.000 0.066 0.000 1.343 458 I HN 0.817 nan 8.210 nan 0.000 0.458 459 T N 3.249 117.804 114.554 0.001 0.000 2.936 459 T HA 0.509 4.860 4.350 0.001 0.000 0.282 459 T C -2.611 172.087 174.700 -0.004 0.000 1.003 459 T CA -2.298 59.797 62.100 -0.008 0.000 1.005 459 T CB 1.256 70.109 68.868 -0.025 0.000 1.097 459 T HN 0.172 nan 8.240 nan 0.000 0.532 460 P HA 0.141 nan 4.420 nan 0.000 0.264 460 P C -0.432 176.871 177.300 0.005 0.000 1.183 460 P CA -0.506 62.600 63.100 0.010 0.000 0.763 460 P CB 0.146 31.850 31.700 0.007 0.000 0.807 461 L N 4.687 125.930 121.223 0.032 0.000 2.513 461 L HA 0.045 4.386 4.340 0.001 0.000 0.272 461 L C 0.364 177.257 176.870 0.038 0.000 1.187 461 L CA 0.771 55.637 54.840 0.043 0.000 0.895 461 L CB -0.348 41.768 42.059 0.096 0.000 1.147 461 L HN 0.200 nan 8.230 nan 0.000 0.483 462 K N 6.942 127.346 120.400 0.006 0.000 2.087 462 K HA 0.495 4.815 4.320 0.001 0.000 0.255 462 K C -2.383 174.281 176.600 0.108 0.000 0.988 462 K CA -1.844 54.449 56.287 0.010 0.000 0.915 462 K CB 0.431 32.872 32.500 -0.099 0.000 1.043 462 K HN 0.457 nan 8.250 nan 0.000 0.457 463 P HA 0.029 nan 4.420 nan 0.000 0.269 463 P C -0.391 177.020 177.300 0.185 0.000 1.215 463 P CA -0.082 63.092 63.100 0.123 0.000 0.780 463 P CB 0.498 32.245 31.700 0.078 0.000 0.898 464 S N 0.539 116.328 115.700 0.147 0.000 2.573 464 S HA 0.304 4.774 4.470 0.001 0.000 0.277 464 S C 0.779 175.372 174.600 -0.012 0.000 1.346 464 S CA -0.319 57.908 58.200 0.044 0.000 1.034 464 S CB 0.166 63.380 63.200 0.024 0.000 0.879 464 S HN 0.679 nan 8.310 nan 0.000 0.528 465 A N 3.336 126.078 122.820 -0.131 0.000 2.327 465 A HA 0.505 4.825 4.320 0.001 0.000 0.255 465 A C -2.305 175.219 177.584 -0.101 0.000 1.099 465 A CA -1.333 50.657 52.037 -0.078 0.000 0.801 465 A CB -0.819 18.118 19.000 -0.105 0.000 1.062 465 A HN 0.539 nan 8.150 nan 0.000 0.496 466 P HA 0.006 nan 4.420 nan 0.000 0.267 466 P C -0.243 177.012 177.300 -0.075 0.000 1.201 466 P CA -0.123 62.948 63.100 -0.049 0.000 0.775 466 P CB 0.377 32.061 31.700 -0.027 0.000 0.854 467 K N 2.922 123.291 120.400 -0.053 0.000 2.489 467 K HA 0.094 4.414 4.320 0.001 0.000 0.278 467 K C -0.170 176.404 176.600 -0.043 0.000 1.000 467 K CA 0.366 56.623 56.287 -0.050 0.000 1.012 467 K CB -0.128 32.362 32.500 -0.016 0.000 0.903 467 K HN 0.404 nan 8.250 nan 0.000 0.485 468 I N 7.706 128.247 120.570 -0.049 0.000 2.321 468 I HA 0.169 4.340 4.170 0.001 0.000 0.291 468 I C -1.698 174.411 176.117 -0.014 0.000 0.998 468 I CA -2.196 59.084 61.300 -0.034 0.000 1.227 468 I CB 1.548 39.522 38.000 -0.044 0.000 1.368 468 I HN 0.430 nan 8.210 nan 0.000 0.466 469 P HA -0.017 nan 4.420 nan 0.000 0.267 469 P C 0.859 178.163 177.300 0.007 0.000 1.200 469 P CA -0.166 62.937 63.100 0.005 0.000 0.772 469 P CB 1.361 33.066 31.700 0.008 0.000 0.855 470 I N 2.543 123.121 120.570 0.013 0.000 2.248 470 I HA -0.294 3.877 4.170 0.001 0.000 0.248 470 I C 2.170 178.295 176.117 0.014 0.000 1.107 470 I CA 1.762 63.070 61.300 0.014 0.000 1.373 470 I CB -0.653 37.359 38.000 0.020 0.000 1.055 470 I HN 0.450 nan 8.210 nan 0.000 0.418 471 E N -0.176 120.035 120.200 0.017 0.000 2.150 471 E HA -0.152 4.199 4.350 0.001 0.000 0.193 471 E C 2.124 178.730 176.600 0.010 0.000 0.985 471 E CA 1.652 58.062 56.400 0.017 0.000 0.814 471 E CB -0.999 28.715 29.700 0.022 0.000 0.752 471 E HN 0.424 nan 8.360 nan 0.000 0.466 472 V N 1.649 121.567 119.914 0.006 0.000 2.591 472 V HA -0.150 3.971 4.120 0.001 0.000 0.249 472 V C 2.559 178.652 176.094 -0.001 0.000 1.053 472 V CA 0.967 63.268 62.300 0.002 0.000 1.068 472 V CB -0.446 31.376 31.823 -0.001 0.000 0.689 472 V HN 0.171 nan 8.190 nan 0.000 0.462 473 L N -0.552 120.670 121.223 -0.002 0.000 2.056 473 L HA -0.129 4.212 4.340 0.001 0.000 0.207 473 L C 2.215 179.082 176.870 -0.005 0.000 1.078 473 L CA 1.447 56.285 54.840 -0.003 0.000 0.749 473 L CB -0.405 41.653 42.059 -0.001 0.000 0.901 473 L HN 0.299 nan 8.230 nan 0.000 0.433 474 L N -0.568 120.653 121.223 -0.004 0.000 2.551 474 L HA -0.112 4.228 4.340 0.001 0.000 0.228 474 L C 2.114 178.974 176.870 -0.016 0.000 1.153 474 L CA 0.532 55.366 54.840 -0.011 0.000 0.851 474 L CB -0.429 41.628 42.059 -0.002 0.000 0.959 474 L HN 0.332 nan 8.230 nan 0.000 0.451 475 E N 0.683 120.877 120.200 -0.009 0.000 2.274 475 E HA -0.110 4.241 4.350 0.001 0.000 0.194 475 E C 2.114 178.705 176.600 -0.014 0.000 0.996 475 E CA 0.805 57.200 56.400 -0.010 0.000 0.840 475 E CB 0.050 29.748 29.700 -0.003 0.000 0.772 475 E HN 0.481 nan 8.360 nan 0.000 0.491 476 A N 1.392 124.203 122.820 -0.014 0.000 2.239 476 A HA -0.084 4.237 4.320 0.001 0.000 0.209 476 A C 2.225 179.792 177.584 -0.028 0.000 1.171 476 A CA 1.259 53.288 52.037 -0.014 0.000 0.768 476 A CB -0.688 18.308 19.000 -0.007 0.000 0.790 476 A HN 0.304 nan 8.150 nan 0.000 0.478 477 T N -2.197 112.330 114.554 -0.045 0.000 3.113 477 T HA 0.015 4.366 4.350 0.001 0.000 0.263 477 T C 0.832 175.491 174.700 -0.068 0.000 1.143 477 T CA 0.513 62.567 62.100 -0.076 0.000 1.090 477 T CB -0.456 68.346 68.868 -0.109 0.000 0.922 477 T HN 0.441 nan 8.240 nan 0.000 0.521 478 K N 3.017 123.390 120.400 -0.045 0.000 2.436 478 K HA 0.175 4.495 4.320 0.001 0.000 0.282 478 K C -2.621 173.959 176.600 -0.034 0.000 1.044 478 K CA -1.745 54.520 56.287 -0.037 0.000 1.028 478 K CB 0.193 32.679 32.500 -0.023 0.000 0.919 478 K HN 0.111 nan 8.250 nan 0.000 0.474 479 P HA -0.018 nan 4.420 nan 0.000 0.265 479 P C -1.112 176.173 177.300 -0.025 0.000 1.193 479 P CA 0.040 63.122 63.100 -0.030 0.000 0.765 479 P CB 0.874 32.556 31.700 -0.029 0.000 0.823 480 T N 0.115 114.653 114.554 -0.026 0.000 2.906 480 T HA 0.575 4.926 4.350 0.001 0.000 0.295 480 T C -0.311 174.362 174.700 -0.045 0.000 1.061 480 T CA -1.038 61.038 62.100 -0.040 0.000 1.000 480 T CB 0.710 69.546 68.868 -0.053 0.000 1.103 480 T HN 0.061 nan 8.240 nan 0.000 0.486 481 L N 3.030 124.215 121.223 -0.062 0.000 2.380 481 L HA 0.406 4.747 4.340 0.001 0.000 0.273 481 L C -1.457 175.355 176.870 -0.097 0.000 1.138 481 L CA -1.806 53.002 54.840 -0.054 0.000 0.832 481 L CB 0.380 42.413 42.059 -0.043 0.000 1.124 481 L HN 0.576 nan 8.230 nan 0.000 0.454 482 P HA 0.126 nan 4.420 nan 0.000 0.274 482 P C -0.688 176.654 177.300 0.069 0.000 1.246 482 P CA -0.362 62.749 63.100 0.018 0.000 0.795 482 P CB 0.541 32.270 31.700 0.049 0.000 1.006 483 F N 1.158 121.319 119.950 0.352 0.000 2.450 483 F HA 0.204 4.732 4.527 0.001 0.000 0.339 483 F C -1.166 174.887 175.800 0.421 0.000 1.146 483 F CA -1.505 56.698 58.000 0.339 0.000 1.267 483 F CB -0.547 38.662 39.000 0.349 0.000 1.178 483 F HN 0.216 nan 8.300 nan 0.000 0.585 484 P HA -0.038 nan 4.420 nan 0.000 0.276 484 P C -0.799 176.745 177.300 0.405 0.000 1.235 484 P CA -0.149 63.172 63.100 0.367 0.000 0.772 484 P CB 0.664 32.492 31.700 0.214 0.000 0.871 485 W N 3.071 124.440 121.300 0.114 0.000 2.570 485 W HA 0.269 4.929 4.660 0.001 0.000 0.337 485 W C -0.213 176.345 176.519 0.066 0.000 1.067 485 W CA -0.691 56.712 57.345 0.097 0.000 1.229 485 W CB 2.174 31.691 29.460 0.096 0.000 1.355 485 W HN 0.206 nan 8.180 nan 0.000 0.555 486 L N 5.438 126.751 121.223 0.150 0.000 2.436 486 L HA 0.179 4.520 4.340 0.001 0.000 0.265 486 L C -0.842 176.126 176.870 0.164 0.000 1.168 486 L CA -1.641 53.261 54.840 0.104 0.000 0.815 486 L CB 0.378 42.449 42.059 0.020 0.000 1.109 486 L HN 0.226 nan 8.230 nan 0.000 0.462 487 P HA -0.078 nan 4.420 nan 0.000 0.221 487 P C -0.713 176.648 177.300 0.101 0.000 1.150 487 P CA 0.820 63.986 63.100 0.110 0.000 0.800 487 P CB 0.325 32.070 31.700 0.075 0.000 0.787 488 E N -2.572 117.678 120.200 0.084 0.000 2.388 488 E HA 0.335 4.686 4.350 0.001 0.000 0.280 488 E C -1.085 175.546 176.600 0.051 0.000 1.019 488 E CA -0.925 55.517 56.400 0.071 0.000 0.806 488 E CB 0.695 30.426 29.700 0.052 0.000 1.246 488 E HN -0.328 nan 8.360 nan 0.000 0.443 489 T N 0.200 114.783 114.554 0.048 0.000 2.900 489 T HA 0.033 4.384 4.350 0.001 0.000 0.307 489 T C 0.591 175.294 174.700 0.005 0.000 1.065 489 T CA 0.426 62.539 62.100 0.022 0.000 1.105 489 T CB 0.404 69.290 68.868 0.030 0.000 0.979 489 T HN 0.624 nan 8.240 nan 0.000 0.544 490 D N 2.805 123.196 120.400 -0.015 0.000 2.339 490 D HA 0.021 4.662 4.640 0.001 0.000 0.217 490 D C 0.425 176.708 176.300 -0.028 0.000 1.050 490 D CA 0.176 54.163 54.000 -0.021 0.000 0.856 490 D CB 0.116 40.897 40.800 -0.031 0.000 0.922 490 D HN 0.338 nan 8.370 nan 0.000 0.518 491 M N 1.125 120.708 119.600 -0.029 0.000 2.944 491 M HA 0.250 4.730 4.480 0.001 0.000 0.235 491 M C -0.535 175.749 176.300 -0.025 0.000 1.188 491 M CA -0.376 54.898 55.300 -0.042 0.000 0.688 491 M CB 0.842 33.401 32.600 -0.068 0.000 1.406 491 M HN -0.198 nan 8.290 nan 0.000 0.479 492 K N -0.051 120.343 120.400 -0.010 0.000 2.295 492 K HA 0.239 4.560 4.320 0.001 0.000 0.270 492 K C 1.210 177.809 176.600 -0.002 0.000 1.011 492 K CA -0.345 55.947 56.287 0.009 0.000 0.953 492 K CB 1.906 34.414 32.500 0.014 0.000 0.956 492 K HN 0.069 nan 8.250 nan 0.000 0.477 493 V N 1.484 121.411 119.914 0.021 0.000 2.548 493 V HA -0.145 3.976 4.120 0.001 0.000 0.249 493 V C 0.203 176.298 176.094 0.002 0.000 1.055 493 V CA 1.333 63.635 62.300 0.003 0.000 1.065 493 V CB -0.305 31.543 31.823 0.042 0.000 0.681 493 V HN 0.759 nan 8.190 nan 0.000 0.462 494 D N 1.902 122.313 120.400 0.019 0.000 2.376 494 D HA 0.340 4.980 4.640 0.001 0.000 0.278 494 D C 0.401 176.701 176.300 -0.000 0.000 1.384 494 D CA 0.955 54.964 54.000 0.015 0.000 1.033 494 D CB 0.526 41.338 40.800 0.020 0.000 1.102 494 D HN 0.452 nan 8.370 nan 0.000 0.530 495 G N 0.000 108.796 108.800 -0.007 0.000 5.446 495 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 495 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 495 G CA 0.000 45.091 45.100 -0.015 0.000 0.502 495 G HN 0.000 nan 8.290 nan 0.000 0.925