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 2wrf_1_D DATA FIRST_RESID 7 DATA SEQUENCE IcVGYHSNNS TEKVDTILER NVTVTHAQDI LEKTHNGKLc KLNGIPPLEL DATA SEQUENCE GDcSIAGWLL GNPEcDRLLT VPEWSYIMEK ENPRNGLcYP GSFNDYEELK DATA SEQUENCE HLISSVTHFE KVKILPKDRW TQHTTTGGSQ GcAVFDNPSF FRNMVWLTKK DATA SEQUENCE GSNYPVAKGS YNNTSGEQML IIWGVHHPND ETEQRTLYQN VGAYVSVGTS DATA SEQUENCE TLNKRSLPEI ATRPEVNGQG GRMEFSWTIL DIWDTINFES TGNLIAPEYG DATA SEQUENCE FKISKRGSSG IMKTEGTLEN cETKcQTPLG AINTTLPFHN IHPLTIGEcP DATA SEQUENCE KYVKSERLVL ATGLRNVPQX XXXGLFGAIA GFIEGGWQGM VDGWYGYHHS DATA SEQUENCE NDQGSGYAAD KESTQKAFDG ITNKVNSVIE KMNTQFEAVG KEFSNLEKRL DATA SEQUENCE ENLNKKMEDG FLDVWTYNAE LLVLMENEMT LDFHDSNVKN LYDKVRMQLR DATA SEQUENCE DNVKELGNGc FEFYHKcDDE cMNSVKNGTY DYSKYEEESK 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 7 I HA 0.000 nan 4.170 nan 0.000 0.288 7 I C 0.000 176.364 176.117 0.412 0.000 1.063 7 I CA 0.000 61.496 61.300 0.326 0.000 1.566 7 I CB 0.000 38.196 38.000 0.326 0.000 1.214 8 c N 6.127 125.013 118.600 0.477 0.000 2.417 8 c HA 0.654 6.362 4.570 1.897 0.000 0.324 8 c C 0.180 174.789 174.090 0.865 0.000 1.240 8 c CA -0.487 56.237 56.329 0.659 0.000 1.632 8 c CB 1.460 44.395 42.510 0.709 0.000 2.241 8 c HN 0.436 nan 8.230 nan 0.000 0.499 9 V N 4.049 124.357 119.914 0.657 0.000 2.326 9 V HA 0.394 5.652 4.120 1.897 0.000 0.254 9 V C 0.969 177.048 176.094 -0.025 0.000 1.022 9 V CA 0.122 62.653 62.300 0.385 0.000 1.074 9 V CB -0.004 32.064 31.823 0.407 0.000 1.305 9 V HN 1.099 nan 8.190 nan 0.000 0.506 10 G N 1.067 109.452 108.800 -0.691 0.000 2.504 10 G HA2 0.532 5.630 3.960 1.897 0.000 0.257 10 G HA3 0.532 5.630 3.960 1.897 0.000 0.257 10 G C -0.655 173.591 174.900 -1.089 0.000 1.451 10 G CA -0.163 44.125 45.100 -1.354 0.000 1.059 10 G HN 0.569 nan 8.290 nan 0.000 0.550 11 Y N -4.027 115.745 120.300 -0.880 0.000 2.669 11 Y HA 0.681 6.369 4.550 1.897 0.000 0.335 11 Y C 0.235 175.978 175.900 -0.261 0.000 1.116 11 Y CA -1.482 56.400 58.100 -0.364 0.000 1.081 11 Y CB 0.339 38.702 38.460 -0.162 0.000 1.297 11 Y HN 0.726 nan 8.280 nan 0.000 0.484 12 H N 0.557 119.718 119.070 0.151 0.000 2.172 12 H HA 0.679 6.373 4.556 1.896 0.000 0.346 12 H C 0.130 175.528 175.328 0.117 0.000 1.901 12 H CA 1.481 57.604 56.048 0.125 0.000 1.403 12 H CB 0.118 30.021 29.762 0.235 0.000 1.654 12 H HN 1.204 nan 8.280 nan 0.000 0.548 13 S N -0.462 115.075 115.700 -0.272 0.000 2.625 13 S HA 0.399 6.007 4.470 1.897 0.000 0.268 13 S C -1.541 172.948 174.600 -0.185 0.000 1.075 13 S CA -0.439 57.696 58.200 -0.109 0.000 0.936 13 S CB 0.131 63.282 63.200 -0.082 0.000 1.190 13 S HN 1.233 nan 8.310 nan 0.000 0.474 14 N N -0.503 118.141 118.700 -0.094 0.000 4.104 14 N HA 0.272 6.150 4.740 1.897 0.000 0.214 14 N C -1.790 173.695 175.510 -0.042 0.000 1.270 14 N CA -0.776 52.238 53.050 -0.061 0.000 0.894 14 N CB 0.022 38.516 38.487 0.012 0.000 1.495 14 N HN 0.356 nan 8.380 nan 0.000 0.506 15 N N -0.172 118.512 118.700 -0.027 0.000 2.991 15 N HA 0.068 5.946 4.740 1.897 0.000 0.324 15 N C -0.958 174.542 175.510 -0.016 0.000 1.208 15 N CA 0.435 53.473 53.050 -0.020 0.000 1.190 15 N CB -0.585 37.894 38.487 -0.013 0.000 1.443 15 N HN 0.501 nan 8.380 nan 0.000 0.542 16 S N -0.755 114.929 115.700 -0.026 0.000 2.549 16 S HA 0.503 6.111 4.470 1.897 0.000 0.297 16 S C 0.532 175.116 174.600 -0.026 0.000 1.115 16 S CA -0.681 57.504 58.200 -0.024 0.000 1.059 16 S CB 0.696 63.871 63.200 -0.042 0.000 1.046 16 S HN 0.426 nan 8.310 nan 0.000 0.506 17 T N 0.645 115.188 114.554 -0.018 0.000 3.415 17 T HA 0.376 5.863 4.350 1.897 0.000 0.282 17 T C -0.225 174.465 174.700 -0.016 0.000 1.007 17 T CA -0.469 61.620 62.100 -0.018 0.000 0.958 17 T CB -0.206 68.654 68.868 -0.013 0.000 1.171 17 T HN 0.571 nan 8.240 nan 0.000 0.500 18 E N 2.032 122.222 120.200 -0.017 0.000 2.166 18 E HA 0.245 5.733 4.350 1.897 0.000 0.279 18 E C -0.620 175.967 176.600 -0.021 0.000 1.095 18 E CA -0.360 56.033 56.400 -0.012 0.000 0.888 18 E CB 0.516 30.214 29.700 -0.003 0.000 1.041 18 E HN 0.146 nan 8.360 nan 0.000 0.414 19 K N 2.510 122.899 120.400 -0.018 0.000 2.253 19 K HA 0.166 5.624 4.320 1.897 0.000 0.277 19 K C -0.309 176.279 176.600 -0.021 0.000 1.053 19 K CA -0.440 55.833 56.287 -0.023 0.000 0.892 19 K CB 1.088 33.575 32.500 -0.021 0.000 1.102 19 K HN 0.280 nan 8.250 nan 0.000 0.469 20 V N -1.265 118.634 119.914 -0.025 0.000 3.262 20 V HA 0.567 5.825 4.120 1.897 0.000 0.313 20 V C -0.312 175.766 176.094 -0.028 0.000 1.070 20 V CA -0.669 61.617 62.300 -0.023 0.000 1.049 20 V CB 1.511 33.323 31.823 -0.019 0.000 1.157 20 V HN 0.548 nan 8.190 nan 0.000 0.454 21 D N 0.105 120.487 120.400 -0.030 0.000 2.481 21 D HA 0.734 6.512 4.640 1.897 0.000 0.244 21 D C -0.281 175.997 176.300 -0.037 0.000 1.057 21 D CA 0.016 53.995 54.000 -0.035 0.000 0.848 21 D CB 2.120 42.897 40.800 -0.040 0.000 1.388 21 D HN 1.165 nan 8.370 nan 0.000 0.475 22 T N -1.866 112.665 114.554 -0.037 0.000 2.901 22 T HA 0.333 5.821 4.350 1.897 0.000 0.293 22 T C 0.930 175.605 174.700 -0.041 0.000 1.084 22 T CA -0.909 61.169 62.100 -0.037 0.000 1.008 22 T CB 0.926 69.775 68.868 -0.031 0.000 1.170 22 T HN 0.441 nan 8.240 nan 0.000 0.509 23 I N -0.038 120.507 120.570 -0.042 0.000 3.176 23 I HA 0.138 5.446 4.170 1.897 0.000 0.275 23 I C 0.428 176.523 176.117 -0.036 0.000 1.298 23 I CA 0.890 62.163 61.300 -0.044 0.000 1.445 23 I CB -0.286 37.686 38.000 -0.047 0.000 1.075 23 I HN 0.597 nan 8.210 nan 0.000 0.482 24 L N -0.043 121.160 121.223 -0.033 0.000 2.577 24 L HA 0.352 5.830 4.340 1.897 0.000 0.225 24 L C 0.674 177.526 176.870 -0.029 0.000 1.053 24 L CA 0.065 54.887 54.840 -0.030 0.000 0.866 24 L CB 0.221 42.262 42.059 -0.030 0.000 1.132 24 L HN 0.113 nan 8.230 nan 0.000 0.486 25 E N 0.812 120.994 120.200 -0.031 0.000 2.191 25 E HA 0.319 5.807 4.350 1.897 0.000 0.263 25 E C -0.853 175.729 176.600 -0.030 0.000 0.881 25 E CA -0.738 55.644 56.400 -0.030 0.000 0.757 25 E CB 1.054 30.735 29.700 -0.032 0.000 1.147 25 E HN -0.087 nan 8.360 nan 0.000 0.414 26 R N 3.638 124.122 120.500 -0.027 0.000 2.216 26 R HA 0.340 5.818 4.340 1.897 0.000 0.332 26 R C -0.668 175.616 176.300 -0.026 0.000 1.056 26 R CA -0.647 55.438 56.100 -0.027 0.000 0.901 26 R CB -0.477 29.809 30.300 -0.024 0.000 1.039 26 R HN 0.616 nan 8.270 nan 0.000 0.456 27 N N 0.689 119.373 118.700 -0.027 0.000 4.111 27 N HA -0.175 5.703 4.740 1.897 0.000 0.311 27 N C -1.380 174.112 175.510 -0.030 0.000 2.201 27 N CA 0.523 53.557 53.050 -0.026 0.000 2.853 27 N CB -0.132 38.341 38.487 -0.023 0.000 0.348 27 N HN 0.370 nan 8.380 nan 0.000 0.660 28 V N 1.678 121.572 119.914 -0.033 0.000 2.666 28 V HA 0.196 5.454 4.120 1.897 0.000 0.261 28 V C 0.135 176.201 176.094 -0.047 0.000 0.892 28 V CA -0.768 61.508 62.300 -0.041 0.000 0.937 28 V CB 1.256 33.053 31.823 -0.043 0.000 1.063 28 V HN 0.710 nan 8.190 nan 0.000 0.494 29 T N 3.828 118.355 114.554 -0.044 0.000 2.718 29 T HA 0.233 5.720 4.350 1.897 0.000 0.265 29 T C 0.220 174.880 174.700 -0.067 0.000 1.014 29 T CA 0.870 62.942 62.100 -0.047 0.000 1.172 29 T CB 0.252 69.096 68.868 -0.041 0.000 1.007 29 T HN 0.886 nan 8.240 nan 0.000 0.500 30 V N 0.784 120.653 119.914 -0.074 0.000 3.160 30 V HA 0.731 5.988 4.120 1.897 0.000 0.310 30 V C 1.157 177.171 176.094 -0.133 0.000 1.181 30 V CA -0.362 61.872 62.300 -0.109 0.000 1.047 30 V CB 1.425 33.190 31.823 -0.095 0.000 1.068 30 V HN 0.744 nan 8.190 nan 0.000 0.441 31 T N -1.206 113.220 114.554 -0.214 0.000 2.770 31 T HA 0.141 5.629 4.350 1.897 0.000 0.258 31 T C 0.508 174.911 174.700 -0.494 0.000 1.039 31 T CA 1.403 63.279 62.100 -0.374 0.000 1.143 31 T CB -0.498 68.094 68.868 -0.459 0.000 0.866 31 T HN 0.898 nan 8.240 nan 0.000 0.428 32 H N 0.337 119.454 119.070 0.079 0.000 2.679 32 H HA 0.796 6.490 4.556 1.896 0.000 0.360 32 H C -0.551 174.822 175.328 0.076 0.000 1.105 32 H CA -0.587 55.528 56.048 0.110 0.000 1.196 32 H CB 2.052 31.944 29.762 0.216 0.000 1.636 32 H HN 0.595 nan 8.280 nan 0.000 0.531 33 A N 2.084 125.008 122.820 0.173 0.000 2.527 33 A HA 0.621 6.079 4.320 1.897 0.000 0.293 33 A C -1.125 176.519 177.584 0.101 0.000 1.117 33 A CA -0.756 51.346 52.037 0.109 0.000 0.723 33 A CB 2.235 21.269 19.000 0.057 0.000 1.313 33 A HN 0.670 nan 8.150 nan 0.000 0.411 34 Q N -0.256 119.590 119.800 0.077 0.000 2.445 34 Q HA 0.563 6.040 4.340 1.897 0.000 0.281 34 Q C -1.734 174.295 176.000 0.049 0.000 1.101 34 Q CA -0.598 55.244 55.803 0.065 0.000 0.833 34 Q CB 2.067 30.845 28.738 0.068 0.000 1.416 34 Q HN 0.716 nan 8.270 nan 0.000 0.451 35 D N 0.288 120.716 120.400 0.047 0.000 2.350 35 D HA 0.378 6.156 4.640 1.897 0.000 0.245 35 D C -0.126 176.208 176.300 0.057 0.000 1.036 35 D CA -0.462 53.564 54.000 0.044 0.000 0.848 35 D CB 1.284 42.106 40.800 0.038 0.000 1.307 35 D HN 0.576 nan 8.370 nan 0.000 0.469 36 I N 0.475 121.086 120.570 0.069 0.000 4.442 36 I HA 0.327 5.635 4.170 1.897 0.000 0.331 36 I C -0.048 176.164 176.117 0.159 0.000 1.364 36 I CA -0.320 61.049 61.300 0.115 0.000 1.207 36 I CB 0.537 38.623 38.000 0.143 0.000 1.298 36 I HN 0.127 nan 8.210 nan 0.000 0.463 37 L N 2.496 123.786 121.223 0.111 0.000 2.603 37 L HA 0.506 5.984 4.340 1.897 0.000 0.242 37 L C 0.322 177.262 176.870 0.118 0.000 1.169 37 L CA -0.471 54.446 54.840 0.128 0.000 1.029 37 L CB 0.112 42.207 42.059 0.060 0.000 1.361 37 L HN 0.120 nan 8.230 nan 0.000 0.439 38 E N 1.700 121.975 120.200 0.125 0.000 2.604 38 E HA -0.142 5.345 4.350 1.897 0.000 0.267 38 E C 0.463 177.127 176.600 0.106 0.000 0.970 38 E CA 1.047 57.503 56.400 0.095 0.000 0.956 38 E CB 0.644 30.393 29.700 0.081 0.000 0.939 38 E HN 0.498 nan 8.360 nan 0.000 0.465 39 K N 1.483 121.925 120.400 0.070 0.000 2.517 39 K HA 0.149 5.607 4.320 1.897 0.000 0.210 39 K C -0.631 176.008 176.600 0.065 0.000 1.166 39 K CA 0.011 56.346 56.287 0.079 0.000 1.030 39 K CB 0.918 33.454 32.500 0.060 0.000 0.974 39 K HN 0.466 nan 8.250 nan 0.000 0.585 40 T N 0.252 114.818 114.554 0.019 0.000 2.893 40 T HA 0.425 5.913 4.350 1.897 0.000 0.291 40 T C -1.697 172.970 174.700 -0.056 0.000 1.028 40 T CA -0.611 61.431 62.100 -0.097 0.000 0.995 40 T CB 0.867 69.668 68.868 -0.112 0.000 1.051 40 T HN 0.425 nan 8.240 nan 0.000 0.470 41 H N 1.240 120.292 119.070 -0.029 0.000 3.037 41 H HA 0.568 6.263 4.556 1.899 0.000 0.355 41 H C 0.656 175.967 175.328 -0.027 0.000 1.263 41 H CA -1.027 54.997 56.048 -0.040 0.000 1.129 41 H CB 0.272 30.001 29.762 -0.055 0.000 1.861 41 H HN 0.310 nan 8.280 nan 0.000 0.546 42 N N 0.859 119.620 118.700 0.102 0.000 2.004 42 N HA -0.027 5.851 4.740 1.897 0.000 0.196 42 N C 1.572 177.174 175.510 0.153 0.000 1.080 42 N CA 2.591 55.684 53.050 0.072 0.000 0.881 42 N CB -0.790 37.731 38.487 0.057 0.000 1.073 42 N HN 1.065 nan 8.380 nan 0.000 0.439 43 G N -1.429 107.492 108.800 0.203 0.000 2.318 43 G HA2 -0.186 4.911 3.960 1.897 0.000 0.172 43 G HA3 -0.186 4.911 3.960 1.897 0.000 0.172 43 G C -0.347 174.587 174.900 0.057 0.000 1.002 43 G CA -0.233 44.956 45.100 0.148 0.000 0.697 43 G HN 0.325 nan 8.290 nan 0.000 0.483 44 K N 1.209 121.638 120.400 0.048 0.000 2.349 44 K HA 0.510 5.968 4.320 1.897 0.000 0.288 44 K C 0.433 177.045 176.600 0.021 0.000 1.058 44 K CA -0.321 55.982 56.287 0.026 0.000 0.953 44 K CB 1.077 33.592 32.500 0.024 0.000 0.997 44 K HN 0.202 nan 8.250 nan 0.000 0.477 45 L N 3.789 125.023 121.223 0.019 0.000 2.369 45 L HA 0.050 5.528 4.340 1.897 0.000 0.279 45 L C 0.509 177.421 176.870 0.070 0.000 1.108 45 L CA -0.523 54.346 54.840 0.048 0.000 0.852 45 L CB 0.283 42.373 42.059 0.051 0.000 1.169 45 L HN 0.845 nan 8.230 nan 0.000 0.452 46 c N 2.783 121.434 118.600 0.085 0.000 2.369 46 c HA 0.470 6.178 4.570 1.897 0.000 0.070 46 c C 0.560 174.729 174.090 0.130 0.000 2.339 46 c CA -0.416 55.958 56.329 0.075 0.000 1.698 46 c CB 1.002 43.534 42.510 0.038 0.000 2.625 46 c HN 0.732 nan 8.230 nan 0.000 0.323 47 K N -0.273 120.189 120.400 0.105 0.000 2.533 47 K HA 0.620 6.078 4.320 1.897 0.000 0.272 47 K C -2.074 174.577 176.600 0.086 0.000 0.985 47 K CA -0.532 55.840 56.287 0.142 0.000 0.876 47 K CB 1.536 34.094 32.500 0.097 0.000 1.452 47 K HN 0.080 nan 8.250 nan 0.000 0.439 48 L N 2.342 123.633 121.223 0.113 0.000 2.305 48 L HA 0.300 5.778 4.340 1.897 0.000 0.284 48 L C -0.039 176.877 176.870 0.077 0.000 1.013 48 L CA -0.060 54.833 54.840 0.087 0.000 0.819 48 L CB 0.732 42.877 42.059 0.142 0.000 1.227 48 L HN 0.638 nan 8.230 nan 0.000 0.417 49 N N 2.901 121.634 118.700 0.056 0.000 2.650 49 N HA -0.245 5.633 4.740 1.897 0.000 0.249 49 N C 0.967 176.491 175.510 0.024 0.000 1.155 49 N CA 1.570 54.639 53.050 0.032 0.000 0.747 49 N CB -0.834 37.663 38.487 0.016 0.000 1.132 49 N HN 1.071 nan 8.380 nan 0.000 0.564 50 G N -3.131 105.691 108.800 0.037 0.000 2.336 50 G HA2 -0.172 4.926 3.960 1.897 0.000 0.194 50 G HA3 -0.172 4.926 3.960 1.897 0.000 0.194 50 G C -0.131 174.797 174.900 0.046 0.000 0.999 50 G CA 0.007 45.127 45.100 0.033 0.000 0.669 50 G HN 0.249 nan 8.290 nan 0.000 0.482 51 I N 2.389 122.997 120.570 0.064 0.000 2.488 51 I HA 0.474 5.782 4.170 1.897 0.000 0.299 51 I C -2.173 174.019 176.117 0.125 0.000 0.984 51 I CA -2.634 58.714 61.300 0.080 0.000 1.250 51 I CB 1.156 39.197 38.000 0.068 0.000 1.389 51 I HN -0.099 nan 8.210 nan 0.000 0.488 52 P HA 0.406 nan 4.420 nan 0.000 0.282 52 P C -2.694 174.650 177.300 0.073 0.000 1.259 52 P CA -1.859 61.295 63.100 0.091 0.000 0.826 52 P CB 0.094 31.823 31.700 0.049 0.000 1.064 53 P HA 0.139 nan 4.420 nan 0.000 0.274 53 P C -0.620 176.480 177.300 -0.333 0.000 1.256 53 P CA -0.391 62.429 63.100 -0.467 0.000 0.795 53 P CB 0.261 31.348 31.700 -1.022 0.000 1.038 54 L N 1.617 122.509 121.223 -0.550 0.000 2.369 54 L HA 0.151 5.629 4.340 1.897 0.000 0.279 54 L C 0.142 176.616 176.870 -0.659 0.000 1.108 54 L CA 0.401 54.793 54.840 -0.746 0.000 0.852 54 L CB -0.868 40.283 42.059 -1.514 0.000 1.169 54 L HN 0.238 nan 8.230 nan 0.000 0.452 55 E N 5.511 125.408 120.200 -0.505 0.000 2.259 55 E HA 0.090 5.578 4.350 1.897 0.000 0.281 55 E C 0.276 176.583 176.600 -0.487 0.000 1.037 55 E CA 0.017 56.167 56.400 -0.417 0.000 0.854 55 E CB 1.753 31.283 29.700 -0.284 0.000 1.051 55 E HN 0.752 nan 8.360 nan 0.000 0.409 56 L N 2.160 123.122 121.223 -0.435 0.000 2.577 56 L HA 0.174 5.652 4.340 1.897 0.000 0.225 56 L C 1.130 177.829 176.870 -0.286 0.000 1.053 56 L CA 0.871 55.450 54.840 -0.435 0.000 0.866 56 L CB 0.256 42.042 42.059 -0.455 0.000 1.132 56 L HN 0.864 nan 8.230 nan 0.000 0.486 57 G N 0.605 109.272 108.800 -0.221 0.000 2.562 57 G HA2 -0.344 4.754 3.960 1.897 0.000 0.250 57 G HA3 -0.344 4.754 3.960 1.897 0.000 0.250 57 G C -0.327 174.497 174.900 -0.127 0.000 1.269 57 G CA 0.185 45.193 45.100 -0.154 0.000 0.919 57 G HN 0.336 nan 8.290 nan 0.000 0.574 58 D N 0.062 120.406 120.400 -0.093 0.000 2.400 58 D HA 0.361 6.139 4.640 1.897 0.000 0.243 58 D C 0.495 176.756 176.300 -0.066 0.000 1.184 58 D CA 0.208 54.164 54.000 -0.072 0.000 0.853 58 D CB -0.131 40.638 40.800 -0.051 0.000 0.944 58 D HN 0.555 nan 8.370 nan 0.000 0.501 59 c N 0.296 118.843 118.600 -0.089 0.000 2.376 59 c HA 0.632 6.339 4.570 1.897 0.000 0.335 59 c C 0.719 174.760 174.090 -0.081 0.000 1.229 59 c CA -0.893 55.395 56.329 -0.067 0.000 1.867 59 c CB 1.109 43.580 42.510 -0.067 0.000 2.319 59 c HN 0.355 nan 8.230 nan 0.000 0.515 60 S N 1.841 117.520 115.700 -0.035 0.000 2.672 60 S HA 0.430 6.038 4.470 1.897 0.000 0.276 60 S C 1.140 175.742 174.600 0.003 0.000 1.207 60 S CA -0.599 57.585 58.200 -0.027 0.000 1.002 60 S CB 0.403 63.602 63.200 -0.001 0.000 0.998 60 S HN 0.617 nan 8.310 nan 0.000 0.542 61 I N 2.077 122.643 120.570 -0.007 0.000 2.423 61 I HA -0.165 5.143 4.170 1.897 0.000 0.254 61 I C 2.382 178.516 176.117 0.028 0.000 1.151 61 I CA 1.502 62.807 61.300 0.008 0.000 1.421 61 I CB -0.745 37.163 38.000 -0.153 0.000 1.079 61 I HN 0.775 nan 8.210 nan 0.000 0.431 62 A N 0.704 123.518 122.820 -0.011 0.000 1.911 62 A HA 0.099 5.557 4.320 1.897 0.000 0.212 62 A C 2.441 179.973 177.584 -0.087 0.000 1.189 62 A CA 1.057 53.013 52.037 -0.136 0.000 0.639 62 A CB -1.085 17.719 19.000 -0.328 0.000 0.839 62 A HN 0.386 nan 8.150 nan 0.000 0.449 63 G N -0.471 108.323 108.800 -0.011 0.000 2.529 63 G HA2 -0.348 4.750 3.960 1.897 0.000 0.219 63 G HA3 -0.348 4.750 3.960 1.897 0.000 0.219 63 G C 1.296 176.267 174.900 0.117 0.000 1.177 63 G CA 1.395 46.532 45.100 0.061 0.000 0.773 63 G HN 0.620 nan 8.290 nan 0.000 0.573 64 W N 1.606 122.854 121.300 -0.088 0.000 2.207 64 W HA -0.138 5.657 4.660 1.891 0.000 0.321 64 W C 2.594 179.092 176.519 -0.035 0.000 1.202 64 W CA 2.002 59.301 57.345 -0.076 0.000 1.151 64 W CB -1.085 28.291 29.460 -0.141 0.000 1.175 64 W HN 0.167 nan 8.180 nan 0.000 0.461 65 L N 0.374 121.372 121.223 -0.375 0.000 2.051 65 L HA -0.309 5.169 4.340 1.897 0.000 0.214 65 L C 2.672 179.436 176.870 -0.178 0.000 1.076 65 L CA 1.720 56.254 54.840 -0.510 0.000 0.758 65 L CB -1.344 40.383 42.059 -0.555 0.000 0.890 65 L HN 0.157 nan 8.230 nan 0.000 0.433 66 L N -0.433 120.662 121.223 -0.214 0.000 2.083 66 L HA -0.077 5.400 4.340 1.897 0.000 0.209 66 L C 1.530 178.368 176.870 -0.053 0.000 1.083 66 L CA 1.165 55.821 54.840 -0.307 0.000 0.752 66 L CB -0.697 40.880 42.059 -0.804 0.000 0.899 66 L HN 0.616 nan 8.230 nan 0.000 0.433 67 G N -0.033 108.792 108.800 0.041 0.000 2.151 67 G HA2 -0.227 4.871 3.960 1.897 0.000 0.156 67 G HA3 -0.227 4.871 3.960 1.897 0.000 0.156 67 G C -0.017 174.979 174.900 0.161 0.000 1.017 67 G CA -0.132 45.034 45.100 0.110 0.000 0.686 67 G HN 0.314 nan 8.290 nan 0.000 0.503 68 N N 0.909 119.751 118.700 0.237 0.000 2.217 68 N HA 0.138 6.016 4.740 1.897 0.000 0.268 68 N C -1.660 173.885 175.510 0.057 0.000 1.290 68 N CA -0.655 52.496 53.050 0.169 0.000 0.831 68 N CB 0.889 39.480 38.487 0.174 0.000 1.057 68 N HN 0.151 nan 8.380 nan 0.000 0.481 69 P HA 0.162 nan 4.420 nan 0.000 0.243 69 P C -0.291 176.971 177.300 -0.063 0.000 1.668 69 P CA 0.286 63.363 63.100 -0.038 0.000 0.898 69 P CB 0.286 31.939 31.700 -0.078 0.000 1.637 70 E N -1.673 118.511 120.200 -0.027 0.000 2.601 70 E HA 0.112 5.599 4.350 1.897 0.000 0.219 70 E C 0.180 176.776 176.600 -0.007 0.000 0.964 70 E CA 0.330 56.709 56.400 -0.034 0.000 1.050 70 E CB -0.220 29.461 29.700 -0.031 0.000 1.068 70 E HN 0.104 nan 8.360 nan 0.000 0.496 71 c N 1.135 119.751 118.600 0.027 0.000 2.668 71 c HA 0.286 5.994 4.570 1.897 0.000 0.301 71 c C 1.336 175.472 174.090 0.077 0.000 1.351 71 c CA -0.729 55.632 56.329 0.053 0.000 1.757 71 c CB -0.552 42.027 42.510 0.115 0.000 2.179 71 c HN 0.311 nan 8.230 nan 0.000 0.586 72 D N 1.823 122.252 120.400 0.048 0.000 2.117 72 D HA -0.058 5.720 4.640 1.897 0.000 0.198 72 D C 1.458 177.781 176.300 0.038 0.000 0.982 72 D CA 0.929 54.960 54.000 0.052 0.000 0.828 72 D CB -0.100 40.722 40.800 0.036 0.000 0.967 72 D HN 0.417 nan 8.370 nan 0.000 0.464 73 R N 1.020 121.530 120.500 0.016 0.000 4.874 73 R HA 0.154 5.632 4.340 1.897 0.000 0.173 73 R C 0.083 176.372 176.300 -0.018 0.000 2.034 73 R CA 0.031 56.132 56.100 0.003 0.000 1.630 73 R CB -1.253 29.043 30.300 -0.006 0.000 1.372 73 R HN 0.218 nan 8.270 nan 0.000 0.843 74 L N -0.541 120.676 121.223 -0.009 0.000 2.434 74 L HA 0.593 6.071 4.340 1.897 0.000 0.260 74 L C -0.972 175.880 176.870 -0.031 0.000 0.983 74 L CA -0.588 54.223 54.840 -0.048 0.000 0.820 74 L CB 2.223 44.237 42.059 -0.074 0.000 1.361 74 L HN 0.187 nan 8.230 nan 0.000 0.410 75 L N 2.164 123.342 121.223 -0.074 0.000 2.313 75 L HA 0.667 6.145 4.340 1.897 0.000 0.273 75 L C 0.044 176.875 176.870 -0.065 0.000 1.028 75 L CA -0.322 54.491 54.840 -0.044 0.000 0.871 75 L CB 0.825 42.855 42.059 -0.048 0.000 1.242 75 L HN 0.644 nan 8.230 nan 0.000 0.434 76 T N 1.952 116.521 114.554 0.024 0.000 2.799 76 T HA 0.653 6.141 4.350 1.897 0.000 0.286 76 T C -0.404 174.408 174.700 0.186 0.000 0.973 76 T CA 0.102 62.258 62.100 0.094 0.000 1.035 76 T CB 1.099 70.175 68.868 0.347 0.000 0.932 76 T HN 1.685 nan 8.240 nan 0.000 0.469 77 V N 7.065 127.123 119.914 0.239 0.000 2.588 77 V HA 0.654 5.912 4.120 1.897 0.000 0.304 77 V C -2.414 173.886 176.094 0.344 0.000 1.042 77 V CA -2.504 59.940 62.300 0.241 0.000 0.877 77 V CB 2.062 33.980 31.823 0.157 0.000 0.996 77 V HN 0.742 nan 8.190 nan 0.000 0.425 78 P HA 0.284 nan 4.420 nan 0.000 0.277 78 P C -0.447 176.891 177.300 0.063 0.000 1.617 78 P CA 0.701 63.910 63.100 0.182 0.000 0.829 78 P CB -0.520 31.283 31.700 0.172 0.000 1.774 79 E N -0.889 119.305 120.200 -0.011 0.000 2.374 79 E HA 0.428 5.916 4.350 1.897 0.000 0.281 79 E C -1.783 174.829 176.600 0.019 0.000 1.170 79 E CA -0.863 55.440 56.400 -0.161 0.000 0.919 79 E CB 0.863 30.540 29.700 -0.039 0.000 1.218 79 E HN 0.111 nan 8.360 nan 0.000 0.425 80 W N 0.391 121.684 121.300 -0.013 0.000 3.499 80 W HA 0.407 6.204 4.660 1.895 0.000 0.288 80 W C -0.135 176.389 176.519 0.009 0.000 1.258 80 W CA -0.255 57.067 57.345 -0.038 0.000 1.203 80 W CB -0.368 29.017 29.460 -0.126 0.000 1.325 80 W HN 0.350 nan 8.180 nan 0.000 0.564 81 S N 0.187 116.089 115.700 0.337 0.000 2.483 81 S HA 0.304 5.911 4.470 1.897 0.000 0.221 81 S C 0.269 175.160 174.600 0.485 0.000 1.030 81 S CA 1.097 59.482 58.200 0.308 0.000 0.925 81 S CB -0.297 63.075 63.200 0.286 0.000 0.795 81 S HN 0.896 nan 8.310 nan 0.000 0.511 82 Y N -1.019 119.389 120.300 0.179 0.000 3.097 82 Y HA 0.790 6.476 4.550 1.892 0.000 0.291 82 Y C -1.504 174.374 175.900 -0.036 0.000 1.799 82 Y CA -1.981 56.179 58.100 0.101 0.000 1.074 82 Y CB 0.857 39.343 38.460 0.043 0.000 1.789 82 Y HN -0.072 nan 8.280 nan 0.000 0.446 83 I N 2.004 122.373 120.570 -0.335 0.000 2.610 83 I HA 0.291 5.599 4.170 1.897 0.000 0.289 83 I C -1.424 174.391 176.117 -0.503 0.000 1.163 83 I CA -0.735 60.211 61.300 -0.591 0.000 1.044 83 I CB 2.301 39.968 38.000 -0.556 0.000 1.251 83 I HN 0.534 nan 8.210 nan 0.000 0.424 84 M N 5.719 124.980 119.600 -0.565 0.000 2.144 84 M HA 0.374 5.992 4.480 1.897 0.000 0.356 84 M C -0.334 175.771 176.300 -0.326 0.000 1.217 84 M CA 0.195 55.273 55.300 -0.371 0.000 1.087 84 M CB 1.112 33.508 32.600 -0.341 0.000 1.609 84 M HN 0.438 nan 8.290 nan 0.000 0.467 85 E N 2.430 122.488 120.200 -0.237 0.000 2.293 85 E HA 0.380 5.868 4.350 1.897 0.000 0.270 85 E C -1.189 175.322 176.600 -0.147 0.000 0.879 85 E CA -0.838 55.436 56.400 -0.209 0.000 0.756 85 E CB 1.828 31.405 29.700 -0.204 0.000 1.208 85 E HN 0.434 nan 8.360 nan 0.000 0.428 86 K N 1.556 121.879 120.400 -0.130 0.000 2.286 86 K HA -0.071 5.387 4.320 1.897 0.000 0.256 86 K C 0.903 177.458 176.600 -0.074 0.000 0.999 86 K CA 0.332 56.563 56.287 -0.094 0.000 0.908 86 K CB 0.541 32.992 32.500 -0.082 0.000 0.981 86 K HN 0.490 nan 8.250 nan 0.000 0.500 87 E N 1.432 121.598 120.200 -0.056 0.000 1.998 87 E HA -0.179 5.309 4.350 1.897 0.000 0.196 87 E C -0.540 176.043 176.600 -0.028 0.000 1.003 87 E CA 1.846 58.223 56.400 -0.038 0.000 0.829 87 E CB -0.012 29.672 29.700 -0.027 0.000 0.777 87 E HN 0.613 nan 8.360 nan 0.000 0.460 88 N N 1.450 120.135 118.700 -0.025 0.000 3.044 88 N HA 0.313 6.191 4.740 1.897 0.000 0.254 88 N C -2.588 172.907 175.510 -0.024 0.000 1.253 88 N CA -1.220 51.819 53.050 -0.017 0.000 0.944 88 N CB 1.320 39.800 38.487 -0.011 0.000 1.217 88 N HN 0.112 nan 8.380 nan 0.000 0.498 89 P HA -0.061 nan 4.420 nan 0.000 0.267 89 P C 0.650 177.935 177.300 -0.025 0.000 1.195 89 P CA -0.028 63.050 63.100 -0.037 0.000 0.773 89 P CB 1.195 32.870 31.700 -0.042 0.000 0.837 90 R N 1.262 121.746 120.500 -0.027 0.000 2.064 90 R HA 0.044 5.522 4.340 1.897 0.000 0.221 90 R C 0.034 176.328 176.300 -0.009 0.000 1.136 90 R CA 0.912 57.001 56.100 -0.018 0.000 0.980 90 R CB -0.042 30.245 30.300 -0.022 0.000 0.876 90 R HN 0.572 nan 8.270 nan 0.000 0.437 91 N N -0.429 118.266 118.700 -0.009 0.000 2.546 91 N HA 0.273 6.151 4.740 1.897 0.000 0.238 91 N C -0.355 175.168 175.510 0.022 0.000 0.984 91 N CA -0.434 52.620 53.050 0.007 0.000 0.935 91 N CB 2.017 40.505 38.487 0.003 0.000 1.122 91 N HN 0.196 nan 8.380 nan 0.000 0.510 92 G N 1.505 110.326 108.800 0.036 0.000 2.472 92 G HA2 0.198 5.296 3.960 1.897 0.000 0.199 92 G HA3 0.198 5.296 3.960 1.897 0.000 0.199 92 G C -0.154 174.806 174.900 0.101 0.000 1.547 92 G CA -0.255 44.865 45.100 0.034 0.000 0.701 92 G HN 0.329 nan 8.290 nan 0.000 0.623 93 L N 2.773 124.069 121.223 0.121 0.000 2.297 93 L HA 0.225 5.703 4.340 1.897 0.000 0.277 93 L C 1.584 178.603 176.870 0.249 0.000 1.040 93 L CA -1.051 53.959 54.840 0.284 0.000 0.867 93 L CB 1.208 43.395 42.059 0.213 0.000 1.244 93 L HN 0.564 nan 8.230 nan 0.000 0.433 94 c N 1.076 119.812 118.600 0.227 0.000 2.393 94 c HA -0.230 5.478 4.570 1.897 0.000 0.276 94 c C 1.264 175.435 174.090 0.135 0.000 1.215 94 c CA 0.184 56.561 56.329 0.080 0.000 1.743 94 c CB -0.972 41.501 42.510 -0.061 0.000 2.044 94 c HN 0.601 nan 8.230 nan 0.000 0.464 95 Y N 4.226 124.570 120.300 0.074 0.000 2.436 95 Y HA 0.419 6.107 4.550 1.896 0.000 0.343 95 Y C -2.217 173.839 175.900 0.261 0.000 1.008 95 Y CA -2.710 55.495 58.100 0.175 0.000 1.241 95 Y CB 0.048 38.633 38.460 0.207 0.000 1.153 95 Y HN 0.199 nan 8.280 nan 0.000 0.521 96 P HA 0.182 nan 4.420 nan 0.000 0.266 96 P C 0.042 177.354 177.300 0.020 0.000 1.193 96 P CA 0.742 63.804 63.100 -0.064 0.000 0.770 96 P CB 0.779 32.375 31.700 -0.174 0.000 0.836 97 G N 0.402 109.223 108.800 0.034 0.000 2.435 97 G HA2 0.536 5.634 3.960 1.897 0.000 0.228 97 G HA3 0.536 5.634 3.960 1.897 0.000 0.228 97 G C -1.577 173.318 174.900 -0.008 0.000 1.198 97 G CA -0.267 44.839 45.100 0.010 0.000 0.948 97 G HN 0.593 nan 8.290 nan 0.000 0.487 98 S N -1.294 114.400 115.700 -0.010 0.000 2.556 98 S HA 0.754 6.362 4.470 1.897 0.000 0.271 98 S C -1.882 172.767 174.600 0.081 0.000 1.135 98 S CA -0.630 57.571 58.200 0.002 0.000 0.858 98 S CB 2.435 65.597 63.200 -0.063 0.000 1.114 98 S HN 1.212 nan 8.310 nan 0.000 0.468 99 F N 2.042 121.964 119.950 -0.046 0.000 2.553 99 F HA 0.483 6.150 4.527 1.899 0.000 0.335 99 F C -0.818 175.038 175.800 0.094 0.000 1.148 99 F CA -0.763 57.249 58.000 0.021 0.000 0.963 99 F CB 1.399 40.320 39.000 -0.132 0.000 1.217 99 F HN 0.586 nan 8.300 nan 0.000 0.441 100 N N 4.806 123.615 118.700 0.181 0.000 2.442 100 N HA 0.155 6.033 4.740 1.897 0.000 0.265 100 N C -0.627 175.091 175.510 0.348 0.000 1.138 100 N CA 0.506 53.659 53.050 0.171 0.000 0.956 100 N CB 0.517 38.990 38.487 -0.023 0.000 1.067 100 N HN 0.558 nan 8.380 nan 0.000 0.474 101 D N 0.810 121.406 120.400 0.327 0.000 2.809 101 D HA -0.226 5.552 4.640 1.897 0.000 0.234 101 D C 0.529 177.202 176.300 0.622 0.000 1.111 101 D CA 0.398 54.623 54.000 0.376 0.000 0.726 101 D CB -1.479 39.428 40.800 0.179 0.000 1.089 101 D HN 0.587 nan 8.370 nan 0.000 0.436 102 Y N 0.889 121.393 120.300 0.339 0.000 2.133 102 Y HA -0.136 5.545 4.550 1.884 0.000 0.287 102 Y C 2.005 177.919 175.900 0.025 0.000 1.134 102 Y CA 2.346 60.526 58.100 0.134 0.000 1.133 102 Y CB -0.014 38.445 38.460 -0.001 0.000 0.987 102 Y HN 0.058 nan 8.280 nan 0.000 0.502 103 E N -0.033 120.161 120.200 -0.010 0.000 2.150 103 E HA -0.145 5.343 4.350 1.897 0.000 0.193 103 E C 1.938 178.497 176.600 -0.069 0.000 0.985 103 E CA 1.166 57.470 56.400 -0.160 0.000 0.814 103 E CB -0.178 29.465 29.700 -0.095 0.000 0.752 103 E HN 0.385 nan 8.360 nan 0.000 0.466 104 E N 0.036 120.293 120.200 0.095 0.000 2.338 104 E HA -0.115 5.373 4.350 1.897 0.000 0.197 104 E C 1.755 178.513 176.600 0.264 0.000 1.007 104 E CA 0.378 56.896 56.400 0.196 0.000 0.849 104 E CB 0.093 29.959 29.700 0.278 0.000 0.774 104 E HN 0.231 nan 8.360 nan 0.000 0.506 105 L N 0.728 122.002 121.223 0.084 0.000 2.200 105 L HA 0.007 5.485 4.340 1.897 0.000 0.200 105 L C 1.912 178.555 176.870 -0.378 0.000 1.072 105 L CA 1.363 55.959 54.840 -0.406 0.000 0.787 105 L CB -0.149 41.341 42.059 -0.949 0.000 0.957 105 L HN -0.193 nan 8.230 nan 0.000 0.459 106 K N -0.687 119.452 120.400 -0.435 0.000 2.015 106 K HA -0.308 5.150 4.320 1.897 0.000 0.216 106 K C 2.283 178.769 176.600 -0.190 0.000 1.052 106 K CA 2.033 58.087 56.287 -0.387 0.000 0.937 106 K CB -0.814 31.393 32.500 -0.488 0.000 0.719 106 K HN 0.491 nan 8.250 nan 0.000 0.446 107 H N 1.195 120.152 119.070 -0.189 0.000 2.390 107 H HA -0.159 5.536 4.556 1.899 0.000 0.298 107 H C 2.073 177.370 175.328 -0.051 0.000 1.106 107 H CA 1.687 57.675 56.048 -0.099 0.000 1.297 107 H CB -0.045 29.672 29.762 -0.076 0.000 1.375 107 H HN 0.140 nan 8.280 nan 0.000 0.509 108 L N 2.464 123.688 121.223 0.001 0.000 1.970 108 L HA -0.153 5.325 4.340 1.897 0.000 0.212 108 L C 2.231 179.054 176.870 -0.078 0.000 1.071 108 L CA 2.044 56.869 54.840 -0.024 0.000 0.751 108 L CB -1.215 40.842 42.059 -0.005 0.000 0.889 108 L HN 0.442 nan 8.230 nan 0.000 0.432 109 I N -1.225 119.295 120.570 -0.085 0.000 3.686 109 I HA 0.100 5.408 4.170 1.897 0.000 0.308 109 I C 1.893 178.114 176.117 0.175 0.000 1.254 109 I CA 0.703 62.028 61.300 0.042 0.000 1.175 109 I CB -1.005 36.999 38.000 0.006 0.000 1.009 109 I HN 0.380 nan 8.210 nan 0.000 0.459 110 S N 0.438 116.149 115.700 0.017 0.000 2.428 110 S HA -0.044 5.564 4.470 1.897 0.000 0.230 110 S C 1.020 175.774 174.600 0.257 0.000 1.014 110 S CA 0.461 58.687 58.200 0.043 0.000 0.957 110 S CB -0.184 62.963 63.200 -0.089 0.000 0.784 110 S HN 0.576 nan 8.310 nan 0.000 0.499 111 S N 0.392 116.183 115.700 0.152 0.000 2.614 111 S HA 0.676 6.284 4.470 1.897 0.000 0.288 111 S C -0.652 173.838 174.600 -0.183 0.000 1.137 111 S CA -0.218 58.019 58.200 0.062 0.000 0.992 111 S CB 1.405 64.597 63.200 -0.013 0.000 1.026 111 S HN 0.971 nan 8.310 nan 0.000 0.486 112 V N 0.802 120.360 119.914 -0.593 0.000 3.105 112 V HA 0.999 6.257 4.120 1.897 0.000 0.311 112 V C -0.290 175.515 176.094 -0.481 0.000 1.287 112 V CA -0.294 61.680 62.300 -0.543 0.000 1.066 112 V CB 1.324 32.752 31.823 -0.659 0.000 1.105 112 V HN 1.136 nan 8.190 nan 0.000 0.462 113 T N 1.174 115.562 114.554 -0.277 0.000 3.894 113 T HA 0.326 5.814 4.350 1.897 0.000 0.196 113 T C -0.886 173.757 174.700 -0.094 0.000 0.537 113 T CA 0.099 62.097 62.100 -0.170 0.000 0.894 113 T CB -0.999 67.767 68.868 -0.169 0.000 1.332 113 T HN 1.790 nan 8.240 nan 0.000 0.505 114 H N 1.365 120.382 119.070 -0.088 0.000 3.664 114 H HA 0.891 6.585 4.556 1.896 0.000 0.282 114 H C -1.421 173.908 175.328 0.002 0.000 1.666 114 H CA -2.022 53.969 56.048 -0.095 0.000 1.548 114 H CB 0.188 29.935 29.762 -0.025 0.000 1.247 114 H HN 0.302 nan 8.280 nan 0.000 0.857 115 F N 0.249 120.130 119.950 -0.117 0.000 2.745 115 F HA 0.347 6.014 4.527 1.899 0.000 0.343 115 F C -1.064 174.660 175.800 -0.127 0.000 1.196 115 F CA -0.469 57.477 58.000 -0.090 0.000 1.021 115 F CB 1.463 40.503 39.000 0.067 0.000 1.297 115 F HN 0.789 nan 8.300 nan 0.000 0.486 116 E N 5.599 125.490 120.200 -0.515 0.000 2.224 116 E HA 0.321 5.809 4.350 1.897 0.000 0.265 116 E C -1.544 174.811 176.600 -0.409 0.000 0.878 116 E CA -0.931 55.231 56.400 -0.396 0.000 0.759 116 E CB 1.555 30.991 29.700 -0.440 0.000 1.164 116 E HN 0.571 nan 8.360 nan 0.000 0.414 117 K N 3.704 123.869 120.400 -0.393 0.000 2.201 117 K HA 0.387 5.845 4.320 1.897 0.000 0.278 117 K C -1.002 175.363 176.600 -0.392 0.000 1.027 117 K CA -0.669 55.226 56.287 -0.653 0.000 0.909 117 K CB 1.277 33.325 32.500 -0.753 0.000 1.062 117 K HN 0.330 nan 8.250 nan 0.000 0.465 118 V N 1.572 121.299 119.914 -0.312 0.000 2.577 118 V HA 0.391 5.649 4.120 1.897 0.000 0.303 118 V C -0.689 175.442 176.094 0.061 0.000 1.042 118 V CA -1.064 61.179 62.300 -0.094 0.000 0.872 118 V CB 1.485 33.247 31.823 -0.101 0.000 0.998 118 V HN 0.886 nan 8.190 nan 0.000 0.423 119 K N 4.026 124.535 120.400 0.182 0.000 2.430 119 K HA 0.195 5.653 4.320 1.897 0.000 0.280 119 K C 0.724 177.168 176.600 -0.260 0.000 1.063 119 K CA 0.811 57.018 56.287 -0.134 0.000 1.071 119 K CB 0.348 32.797 32.500 -0.085 0.000 0.899 119 K HN 0.899 nan 8.250 nan 0.000 0.473 120 I N 1.771 122.101 120.570 -0.401 0.000 4.032 120 I HA 0.105 5.413 4.170 1.897 0.000 0.313 120 I C 0.322 176.196 176.117 -0.406 0.000 1.272 120 I CA -0.216 60.724 61.300 -0.601 0.000 1.307 120 I CB 0.363 37.855 38.000 -0.847 0.000 1.155 120 I HN 0.351 nan 8.210 nan 0.000 0.431 121 L N 3.141 124.189 121.223 -0.292 0.000 2.678 121 L HA 0.514 5.992 4.340 1.897 0.000 0.250 121 L C -2.426 174.343 176.870 -0.168 0.000 1.455 121 L CA -1.386 53.343 54.840 -0.184 0.000 0.823 121 L CB 0.471 42.481 42.059 -0.081 0.000 1.107 121 L HN -0.058 nan 8.230 nan 0.000 0.514 122 P HA -0.149 nan 4.420 nan 0.000 0.265 122 P C 0.670 177.944 177.300 -0.044 0.000 1.167 122 P CA 0.598 63.620 63.100 -0.129 0.000 0.760 122 P CB 0.820 32.458 31.700 -0.103 0.000 0.783 123 K N 3.349 123.768 120.400 0.032 0.000 2.167 123 K HA -0.142 5.316 4.320 1.897 0.000 0.203 123 K C 1.251 177.990 176.600 0.231 0.000 1.052 123 K CA 1.448 57.851 56.287 0.194 0.000 0.956 123 K CB -0.154 32.414 32.500 0.113 0.000 0.735 123 K HN 0.520 nan 8.250 nan 0.000 0.451 124 D N 0.534 120.994 120.400 0.101 0.000 2.097 124 D HA -0.253 5.525 4.640 1.897 0.000 0.195 124 D C 1.577 177.923 176.300 0.077 0.000 0.989 124 D CA 0.912 54.961 54.000 0.082 0.000 0.827 124 D CB -0.606 40.214 40.800 0.033 0.000 0.966 124 D HN 0.118 nan 8.370 nan 0.000 0.456 125 R N -0.445 120.047 120.500 -0.014 0.000 2.387 125 R HA -0.066 5.412 4.340 1.897 0.000 0.203 125 R C 0.371 176.577 176.300 -0.157 0.000 1.121 125 R CA 0.028 56.070 56.100 -0.096 0.000 1.129 125 R CB -0.628 29.571 30.300 -0.168 0.000 0.905 125 R HN 0.305 nan 8.270 nan 0.000 0.477 126 W N 0.045 121.340 121.300 -0.009 0.000 3.391 126 W HA 0.022 5.820 4.660 1.896 0.000 0.372 126 W C 1.849 178.400 176.519 0.054 0.000 1.171 126 W CA 0.320 57.670 57.345 0.008 0.000 1.862 126 W CB 0.250 29.695 29.460 -0.025 0.000 1.048 126 W HN 0.196 nan 8.180 nan 0.000 0.726 127 T N -2.029 112.631 114.554 0.177 0.000 2.731 127 T HA -0.459 5.028 4.350 1.897 0.000 0.259 127 T C 1.498 176.255 174.700 0.095 0.000 1.054 127 T CA 2.121 64.285 62.100 0.107 0.000 1.158 127 T CB -0.465 68.431 68.868 0.047 0.000 0.847 127 T HN 0.369 nan 8.240 nan 0.000 0.470 128 Q N 0.747 120.619 119.800 0.120 0.000 2.291 128 Q HA 0.009 5.487 4.340 1.897 0.000 0.205 128 Q C 0.349 176.207 176.000 -0.237 0.000 0.970 128 Q CA 0.964 56.740 55.803 -0.045 0.000 0.876 128 Q CB -0.070 28.622 28.738 -0.075 0.000 0.935 128 Q HN 0.798 nan 8.270 nan 0.000 0.455 129 H N -1.157 117.887 119.070 -0.044 0.000 2.676 129 H HA 0.278 5.972 4.556 1.897 0.000 0.352 129 H C -0.435 174.813 175.328 -0.133 0.000 1.193 129 H CA -0.521 55.421 56.048 -0.177 0.000 1.243 129 H CB 1.123 30.702 29.762 -0.304 0.000 1.751 129 H HN -0.214 nan 8.280 nan 0.000 0.567 130 T N 0.800 115.318 114.554 -0.061 0.000 2.897 130 T HA 0.223 5.710 4.350 1.897 0.000 0.294 130 T C 0.783 175.420 174.700 -0.104 0.000 1.004 130 T CA -0.156 61.889 62.100 -0.092 0.000 1.106 130 T CB 0.463 69.240 68.868 -0.152 0.000 0.949 130 T HN 0.807 nan 8.240 nan 0.000 0.520 131 T N -2.352 112.157 114.554 -0.076 0.000 3.200 131 T HA 0.186 5.674 4.350 1.897 0.000 0.284 131 T C 0.913 175.576 174.700 -0.062 0.000 1.009 131 T CA -0.354 61.706 62.100 -0.067 0.000 0.907 131 T CB -0.143 68.735 68.868 0.015 0.000 1.120 131 T HN 0.640 nan 8.240 nan 0.000 0.534 132 T N -1.083 113.405 114.554 -0.109 0.000 3.483 132 T HA 0.568 6.056 4.350 1.897 0.000 0.258 132 T C 0.751 175.323 174.700 -0.214 0.000 1.013 132 T CA -0.364 61.669 62.100 -0.113 0.000 1.078 132 T CB -0.033 68.785 68.868 -0.083 0.000 1.111 132 T HN 0.362 nan 8.240 nan 0.000 0.538 133 G N -0.292 108.320 108.800 -0.314 0.000 2.503 133 G HA2 0.632 5.730 3.960 1.897 0.000 0.257 133 G HA3 0.632 5.730 3.960 1.897 0.000 0.257 133 G C 0.100 174.763 174.900 -0.395 0.000 1.214 133 G CA -0.153 44.599 45.100 -0.581 0.000 0.839 133 G HN 0.873 nan 8.290 nan 0.000 0.559 134 G N -1.464 107.091 108.800 -0.410 0.000 2.550 134 G HA2 0.621 5.719 3.960 1.897 0.000 0.293 134 G HA3 0.621 5.719 3.960 1.897 0.000 0.293 134 G C -1.308 173.571 174.900 -0.035 0.000 1.402 134 G CA 0.308 45.327 45.100 -0.135 0.000 0.784 134 G HN 1.186 nan 8.290 nan 0.000 0.482 135 S N -1.811 113.953 115.700 0.108 0.000 2.607 135 S HA 0.457 6.065 4.470 1.897 0.000 0.273 135 S C 0.183 174.865 174.600 0.137 0.000 1.148 135 S CA -0.322 57.977 58.200 0.164 0.000 0.833 135 S CB 2.015 65.414 63.200 0.332 0.000 1.130 135 S HN 0.657 nan 8.310 nan 0.000 0.470 136 Q N 1.204 121.085 119.800 0.134 0.000 2.392 136 Q HA 0.236 5.714 4.340 1.897 0.000 0.203 136 Q C 1.705 177.769 176.000 0.108 0.000 0.917 136 Q CA 0.954 56.812 55.803 0.092 0.000 0.939 136 Q CB -0.452 28.328 28.738 0.070 0.000 1.063 136 Q HN 0.922 nan 8.270 nan 0.000 0.516 137 G N -0.222 108.692 108.800 0.189 0.000 2.469 137 G HA2 -0.245 4.853 3.960 1.897 0.000 0.219 137 G HA3 -0.245 4.853 3.960 1.897 0.000 0.219 137 G C 0.760 175.722 174.900 0.102 0.000 1.150 137 G CA 0.890 46.103 45.100 0.189 0.000 0.763 137 G HN 0.433 nan 8.290 nan 0.000 0.561 138 c N 1.739 120.390 118.600 0.085 0.000 2.534 138 c HA 0.757 6.465 4.570 1.897 0.000 0.285 138 c C 1.133 175.208 174.090 -0.024 0.000 1.505 138 c CA -1.144 55.166 56.329 -0.031 0.000 1.715 138 c CB -1.330 41.094 42.510 -0.144 0.000 2.935 138 c HN 0.585 nan 8.230 nan 0.000 0.540 139 A N 0.662 123.475 122.820 -0.012 0.000 2.450 139 A HA 0.477 5.935 4.320 1.897 0.000 0.255 139 A C 0.983 178.513 177.584 -0.090 0.000 1.096 139 A CA 0.206 52.230 52.037 -0.023 0.000 0.778 139 A CB 0.488 19.488 19.000 0.001 0.000 1.031 139 A HN 0.401 nan 8.150 nan 0.000 0.494 140 V N 1.585 121.428 119.914 -0.118 0.000 2.403 140 V HA 0.076 5.334 4.120 1.897 0.000 0.239 140 V C 0.573 176.385 176.094 -0.470 0.000 1.041 140 V CA 1.329 63.433 62.300 -0.326 0.000 1.051 140 V CB -0.474 31.174 31.823 -0.291 0.000 0.704 140 V HN 0.818 nan 8.190 nan 0.000 0.472 141 F N 0.755 120.716 119.950 0.018 0.000 2.777 141 F HA 0.329 5.995 4.527 1.898 0.000 0.361 141 F C -0.148 175.659 175.800 0.013 0.000 1.254 141 F CA -1.354 56.654 58.000 0.015 0.000 1.181 141 F CB 0.537 39.546 39.000 0.014 0.000 1.082 141 F HN 0.263 nan 8.300 nan 0.000 0.510 142 D N -0.548 119.943 120.400 0.152 0.000 2.460 142 D HA 0.173 5.951 4.640 1.897 0.000 0.268 142 D C -0.380 175.958 176.300 0.064 0.000 1.153 142 D CA -0.299 53.745 54.000 0.073 0.000 0.929 142 D CB -0.341 40.480 40.800 0.036 0.000 1.015 142 D HN 0.170 nan 8.370 nan 0.000 0.502 143 N N 1.557 120.304 118.700 0.077 0.000 2.424 143 N HA 0.255 6.133 4.740 1.897 0.000 0.257 143 N C -2.413 173.119 175.510 0.037 0.000 1.250 143 N CA -1.280 51.804 53.050 0.056 0.000 0.946 143 N CB 0.364 38.890 38.487 0.065 0.000 1.175 143 N HN 0.120 nan 8.380 nan 0.000 0.477 144 P HA -0.067 nan 4.420 nan 0.000 0.264 144 P C -0.530 176.792 177.300 0.036 0.000 1.173 144 P CA 0.627 63.743 63.100 0.027 0.000 0.761 144 P CB 0.716 32.415 31.700 -0.003 0.000 0.794 145 S N 1.584 117.319 115.700 0.059 0.000 2.761 145 S HA 0.789 6.397 4.470 1.897 0.000 0.290 145 S C -2.133 172.578 174.600 0.185 0.000 1.222 145 S CA -0.367 57.887 58.200 0.090 0.000 0.954 145 S CB 0.271 63.499 63.200 0.046 0.000 1.281 145 S HN 0.247 nan 8.310 nan 0.000 0.527 146 F N 0.469 120.355 119.950 -0.107 0.000 2.769 146 F HA 0.510 6.176 4.527 1.898 0.000 0.313 146 F C -1.777 173.924 175.800 -0.164 0.000 1.146 146 F CA -1.386 56.490 58.000 -0.207 0.000 0.934 146 F CB 0.418 39.403 39.000 -0.024 0.000 1.283 146 F HN 0.588 nan 8.300 nan 0.000 0.443 147 F N 4.181 123.787 119.950 -0.573 0.000 2.580 147 F HA 0.112 5.778 4.527 1.898 0.000 0.398 147 F C 1.666 177.405 175.800 -0.102 0.000 1.023 147 F CA 0.164 57.943 58.000 -0.370 0.000 1.188 147 F CB 0.136 38.810 39.000 -0.544 0.000 1.005 147 F HN 0.311 nan 8.300 nan 0.000 0.546 148 R N 1.905 122.485 120.500 0.134 0.000 3.385 148 R HA 0.097 5.575 4.340 1.897 0.000 0.236 148 R C -0.332 176.089 176.300 0.202 0.000 1.663 148 R CA 0.159 56.355 56.100 0.160 0.000 1.444 148 R CB -0.526 29.841 30.300 0.112 0.000 1.218 148 R HN 0.591 nan 8.270 nan 0.000 0.575 149 N N -0.074 118.759 118.700 0.222 0.000 2.036 149 N HA 0.147 6.025 4.740 1.897 0.000 0.228 149 N C -0.604 175.052 175.510 0.244 0.000 1.368 149 N CA 0.072 53.300 53.050 0.297 0.000 0.846 149 N CB 0.758 39.370 38.487 0.209 0.000 1.145 149 N HN 0.111 nan 8.380 nan 0.000 0.502 150 M N 1.131 120.877 119.600 0.243 0.000 2.528 150 M HA 0.476 6.094 4.480 1.897 0.000 0.321 150 M C -0.330 176.201 176.300 0.385 0.000 1.153 150 M CA -0.959 54.514 55.300 0.288 0.000 0.951 150 M CB 2.074 34.858 32.600 0.307 0.000 1.705 150 M HN -0.360 nan 8.290 nan 0.000 0.451 151 V N 1.493 121.565 119.914 0.264 0.000 2.384 151 V HA 0.295 5.553 4.120 1.897 0.000 0.287 151 V C -0.741 175.435 176.094 0.137 0.000 1.020 151 V CA -0.732 61.662 62.300 0.156 0.000 0.850 151 V CB 1.958 33.747 31.823 -0.056 0.000 0.987 151 V HN 0.897 nan 8.190 nan 0.000 0.436 152 W N 6.683 127.877 121.300 -0.176 0.000 1.606 152 W HA 0.359 6.159 4.660 1.900 0.000 0.455 152 W C 0.051 176.419 176.519 -0.251 0.000 0.711 152 W CA -1.572 55.597 57.345 -0.293 0.000 1.876 152 W CB -0.209 28.853 29.460 -0.663 0.000 1.776 152 W HN 0.498 nan 8.180 nan 0.000 0.229 153 L N 5.317 126.541 121.223 0.002 0.000 2.667 153 L HA -0.113 5.365 4.340 1.897 0.000 0.278 153 L C 1.186 178.118 176.870 0.104 0.000 1.217 153 L CA 1.169 55.914 54.840 -0.157 0.000 0.935 153 L CB -0.429 41.352 42.059 -0.464 0.000 1.193 153 L HN 0.202 nan 8.230 nan 0.000 0.493 154 T N 0.483 114.989 114.554 -0.081 0.000 2.883 154 T HA 0.466 5.954 4.350 1.897 0.000 0.284 154 T C -0.364 174.253 174.700 -0.140 0.000 1.041 154 T CA -1.261 60.780 62.100 -0.098 0.000 1.007 154 T CB 1.799 70.423 68.868 -0.407 0.000 1.220 154 T HN 0.534 nan 8.240 nan 0.000 0.552 155 K N 0.425 120.784 120.400 -0.069 0.000 2.295 155 K HA 0.373 5.831 4.320 1.897 0.000 0.270 155 K C -0.362 176.146 176.600 -0.152 0.000 1.011 155 K CA -0.765 55.462 56.287 -0.100 0.000 0.953 155 K CB 0.624 33.159 32.500 0.059 0.000 0.956 155 K HN 0.774 nan 8.250 nan 0.000 0.477 156 K N 1.808 122.103 120.400 -0.175 0.000 2.345 156 K HA 0.412 5.870 4.320 1.897 0.000 0.255 156 K C 0.187 176.723 176.600 -0.106 0.000 0.934 156 K CA -0.004 56.200 56.287 -0.138 0.000 0.801 156 K CB 1.372 33.785 32.500 -0.146 0.000 1.137 156 K HN 0.886 nan 8.250 nan 0.000 0.424 157 G N 2.062 110.814 108.800 -0.080 0.000 2.550 157 G HA2 -0.303 4.795 3.960 1.897 0.000 0.277 157 G HA3 -0.303 4.795 3.960 1.897 0.000 0.277 157 G C 0.390 175.261 174.900 -0.049 0.000 1.190 157 G CA 0.221 45.286 45.100 -0.059 0.000 0.971 157 G HN 0.565 nan 8.290 nan 0.000 0.559 158 S N 1.359 117.039 115.700 -0.033 0.000 2.540 158 S HA 0.243 5.851 4.470 1.897 0.000 0.218 158 S C 0.692 175.294 174.600 0.004 0.000 0.977 158 S CA 0.123 58.314 58.200 -0.015 0.000 0.918 158 S CB -0.297 62.898 63.200 -0.008 0.000 0.806 158 S HN 0.493 nan 8.310 nan 0.000 0.496 159 N N 0.405 119.097 118.700 -0.013 0.000 2.417 159 N HA 0.297 6.175 4.740 1.897 0.000 0.300 159 N C -1.495 174.021 175.510 0.010 0.000 1.102 159 N CA -0.401 52.652 53.050 0.006 0.000 0.886 159 N CB 1.286 39.758 38.487 -0.026 0.000 1.203 159 N HN 0.208 nan 8.380 nan 0.000 0.496 160 Y N 2.391 122.672 120.300 -0.032 0.000 2.863 160 Y HA 0.324 6.012 4.550 1.896 0.000 0.348 160 Y C -2.349 173.553 175.900 0.003 0.000 1.028 160 Y CA -2.022 56.070 58.100 -0.012 0.000 1.213 160 Y CB 0.584 39.107 38.460 0.105 0.000 1.120 160 Y HN 0.440 nan 8.280 nan 0.000 0.598 161 P HA -0.098 nan 4.420 nan 0.000 0.266 161 P C -0.340 177.155 177.300 0.326 0.000 1.193 161 P CA 0.147 63.277 63.100 0.050 0.000 0.770 161 P CB 0.770 32.383 31.700 -0.144 0.000 0.836 162 V N 2.454 122.546 119.914 0.297 0.000 2.584 162 V HA 0.088 5.346 4.120 1.897 0.000 0.303 162 V C 0.740 177.071 176.094 0.396 0.000 1.035 162 V CA 0.529 63.025 62.300 0.326 0.000 1.172 162 V CB -0.240 31.712 31.823 0.215 0.000 0.896 162 V HN 0.691 nan 8.190 nan 0.000 0.486 163 A N 7.298 130.343 122.820 0.375 0.000 2.328 163 A HA 0.689 6.147 4.320 1.897 0.000 0.284 163 A C -0.053 177.734 177.584 0.338 0.000 1.160 163 A CA -0.576 51.640 52.037 0.299 0.000 0.818 163 A CB 0.370 19.343 19.000 -0.045 0.000 1.087 163 A HN 0.868 nan 8.150 nan 0.000 0.504 164 K N 2.090 122.693 120.400 0.338 0.000 2.578 164 K HA 0.592 6.050 4.320 1.897 0.000 0.250 164 K C -0.269 176.345 176.600 0.024 0.000 0.955 164 K CA -0.399 56.005 56.287 0.196 0.000 0.825 164 K CB 2.361 34.935 32.500 0.122 0.000 1.151 164 K HN 0.757 nan 8.250 nan 0.000 0.432 165 G N 0.300 109.184 108.800 0.141 0.000 2.524 165 G HA2 0.599 5.697 3.960 1.897 0.000 0.310 165 G HA3 0.599 5.697 3.960 1.897 0.000 0.310 165 G C -1.299 173.710 174.900 0.181 0.000 1.279 165 G CA -0.626 44.492 45.100 0.030 0.000 0.974 165 G HN 0.328 nan 8.290 nan 0.000 0.484 166 S N -0.250 115.513 115.700 0.105 0.000 2.566 166 S HA 0.575 6.183 4.470 1.897 0.000 0.273 166 S C -2.163 172.555 174.600 0.196 0.000 1.157 166 S CA -0.540 57.739 58.200 0.132 0.000 0.938 166 S CB 1.208 64.439 63.200 0.052 0.000 1.087 166 S HN 0.765 nan 8.310 nan 0.000 0.474 167 Y N 5.137 125.481 120.300 0.074 0.000 2.333 167 Y HA 0.474 6.162 4.550 1.896 0.000 0.324 167 Y C -0.601 175.342 175.900 0.070 0.000 1.033 167 Y CA -1.022 57.118 58.100 0.068 0.000 1.224 167 Y CB 0.953 39.470 38.460 0.095 0.000 1.120 167 Y HN 0.667 nan 8.280 nan 0.000 0.457 168 N N 5.643 124.133 118.700 -0.350 0.000 2.415 168 N HA -0.021 5.857 4.740 1.897 0.000 0.250 168 N C -0.479 174.638 175.510 -0.655 0.000 1.127 168 N CA 0.185 53.031 53.050 -0.340 0.000 0.945 168 N CB 0.185 38.585 38.487 -0.146 0.000 1.196 168 N HN 0.765 nan 8.380 nan 0.000 0.499 169 N N 2.576 120.940 118.700 -0.560 0.000 2.394 169 N HA -0.138 5.740 4.740 1.897 0.000 0.277 169 N C 0.561 176.114 175.510 0.073 0.000 1.346 169 N CA 0.592 53.392 53.050 -0.418 0.000 0.910 169 N CB 0.275 38.737 38.487 -0.043 0.000 1.201 169 N HN 0.603 nan 8.380 nan 0.000 0.488 170 T N 0.046 114.658 114.554 0.097 0.000 3.092 170 T HA 0.022 5.510 4.350 1.897 0.000 0.258 170 T C 1.642 176.608 174.700 0.442 0.000 1.031 170 T CA 0.533 62.828 62.100 0.324 0.000 0.925 170 T CB -0.230 68.690 68.868 0.086 0.000 1.036 170 T HN 0.434 nan 8.240 nan 0.000 0.544 171 S N 0.335 116.268 115.700 0.388 0.000 2.402 171 S HA 0.254 5.862 4.470 1.897 0.000 0.229 171 S C 2.189 176.955 174.600 0.278 0.000 1.021 171 S CA 1.376 59.747 58.200 0.285 0.000 0.974 171 S CB -0.875 62.459 63.200 0.224 0.000 0.800 171 S HN 1.341 nan 8.310 nan 0.000 0.484 172 G N 0.008 108.976 108.800 0.279 0.000 2.241 172 G HA2 -0.247 4.851 3.960 1.897 0.000 0.244 172 G HA3 -0.247 4.851 3.960 1.897 0.000 0.244 172 G C -0.071 174.812 174.900 -0.029 0.000 0.998 172 G CA 0.335 45.534 45.100 0.165 0.000 0.621 172 G HN 0.700 nan 8.290 nan 0.000 0.519 173 E N 0.733 120.945 120.200 0.019 0.000 2.207 173 E HA 0.626 6.114 4.350 1.897 0.000 0.270 173 E C 0.539 177.131 176.600 -0.013 0.000 0.927 173 E CA -0.568 55.842 56.400 0.017 0.000 0.799 173 E CB 0.713 30.481 29.700 0.113 0.000 1.172 173 E HN 0.416 nan 8.360 nan 0.000 0.404 174 Q N 1.855 121.643 119.800 -0.020 0.000 2.428 174 Q HA 0.114 5.592 4.340 1.897 0.000 0.276 174 Q C -0.422 175.624 176.000 0.077 0.000 1.059 174 Q CA 0.758 56.568 55.803 0.012 0.000 0.923 174 Q CB 0.649 29.404 28.738 0.028 0.000 1.283 174 Q HN 0.445 nan 8.270 nan 0.000 0.447 175 M N 3.352 123.024 119.600 0.121 0.000 2.149 175 M HA 0.257 5.875 4.480 1.897 0.000 0.273 175 M C -1.712 174.726 176.300 0.230 0.000 0.972 175 M CA -0.958 54.442 55.300 0.167 0.000 0.984 175 M CB 1.081 33.795 32.600 0.191 0.000 1.699 175 M HN 0.638 nan 8.290 nan 0.000 0.462 176 L N 6.758 128.128 121.223 0.244 0.000 2.477 176 L HA 0.456 5.934 4.340 1.897 0.000 0.272 176 L C -1.430 175.668 176.870 0.379 0.000 1.157 176 L CA 0.541 55.557 54.840 0.295 0.000 0.889 176 L CB 0.229 42.393 42.059 0.175 0.000 1.158 176 L HN 0.589 nan 8.230 nan 0.000 0.473 177 I N 6.667 127.497 120.570 0.433 0.000 2.465 177 I HA 0.397 5.705 4.170 1.897 0.000 0.291 177 I C -0.484 175.967 176.117 0.557 0.000 1.014 177 I CA -0.522 61.068 61.300 0.484 0.000 1.093 177 I CB 1.849 40.146 38.000 0.495 0.000 1.267 177 I HN 0.594 nan 8.210 nan 0.000 0.431 178 I N 5.464 126.319 120.570 0.476 0.000 2.466 178 I HA 0.355 5.663 4.170 1.897 0.000 0.289 178 I C -0.966 175.389 176.117 0.398 0.000 1.026 178 I CA -0.518 60.969 61.300 0.312 0.000 1.078 178 I CB 1.817 39.901 38.000 0.140 0.000 1.249 178 I HN 0.649 nan 8.210 nan 0.000 0.429 179 W N 5.354 126.825 121.300 0.286 0.000 2.850 179 W HA 0.940 6.742 4.660 1.903 0.000 0.349 179 W C -0.445 176.231 176.519 0.262 0.000 1.133 179 W CA -0.871 56.636 57.345 0.270 0.000 1.117 179 W CB 0.933 30.630 29.460 0.394 0.000 1.442 179 W HN 0.512 nan 8.180 nan 0.000 0.575 180 G N -0.229 108.749 108.800 0.298 0.000 2.733 180 G HA2 0.691 5.788 3.960 1.897 0.000 0.288 180 G HA3 0.691 5.788 3.960 1.897 0.000 0.288 180 G C -2.309 172.553 174.900 -0.063 0.000 1.373 180 G CA -1.151 43.842 45.100 -0.177 0.000 0.895 180 G HN 0.769 nan 8.290 nan 0.000 0.479 181 V N 0.705 120.477 119.914 -0.237 0.000 2.610 181 V HA 0.280 5.538 4.120 1.897 0.000 0.298 181 V C -1.186 174.948 176.094 0.067 0.000 1.067 181 V CA -0.757 61.528 62.300 -0.026 0.000 0.894 181 V CB 1.480 33.349 31.823 0.077 0.000 1.015 181 V HN 0.967 nan 8.190 nan 0.000 0.432 182 H N 4.148 123.191 119.070 -0.046 0.000 2.580 182 H HA 0.443 6.136 4.556 1.896 0.000 0.322 182 H C -0.118 175.321 175.328 0.184 0.000 1.082 182 H CA 0.050 56.135 56.048 0.061 0.000 1.383 182 H CB 0.557 30.357 29.762 0.063 0.000 1.450 182 H HN 0.694 nan 8.280 nan 0.000 0.505 183 H N 7.108 125.947 119.070 -0.385 0.000 2.572 183 H HA 0.208 5.903 4.556 1.899 0.000 0.248 183 H C -2.266 172.824 175.328 -0.397 0.000 1.397 183 H CA -2.151 53.704 56.048 -0.322 0.000 1.319 183 H CB 0.557 30.234 29.762 -0.141 0.000 1.452 183 H HN 0.551 nan 8.280 nan 0.000 0.535 184 P HA -0.033 nan 4.420 nan 0.000 0.268 184 P C 0.543 177.840 177.300 -0.005 0.000 1.208 184 P CA 0.130 63.137 63.100 -0.154 0.000 0.777 184 P CB 1.010 32.728 31.700 0.030 0.000 0.875 185 N N 0.645 119.388 118.700 0.072 0.000 2.430 185 N HA -0.133 5.745 4.740 1.897 0.000 0.186 185 N C -0.271 175.266 175.510 0.045 0.000 1.032 185 N CA 1.009 54.098 53.050 0.066 0.000 0.893 185 N CB -0.187 38.352 38.487 0.087 0.000 0.957 185 N HN 0.636 nan 8.380 nan 0.000 0.442 186 D N -3.485 116.940 120.400 0.042 0.000 2.997 186 D HA 0.013 5.790 4.640 1.897 0.000 0.276 186 D C -0.020 176.301 176.300 0.035 0.000 1.141 186 D CA -0.608 53.411 54.000 0.032 0.000 0.727 186 D CB 0.436 41.257 40.800 0.033 0.000 1.306 186 D HN -0.320 nan 8.370 nan 0.000 0.439 187 E N -0.145 120.069 120.200 0.024 0.000 2.108 187 E HA -0.285 5.203 4.350 1.897 0.000 0.203 187 E C 1.631 178.256 176.600 0.042 0.000 1.022 187 E CA 2.539 58.954 56.400 0.024 0.000 0.823 187 E CB -0.406 29.304 29.700 0.016 0.000 0.744 187 E HN 0.675 nan 8.360 nan 0.000 0.456 188 T N -0.057 114.522 114.554 0.041 0.000 2.857 188 T HA -0.144 5.344 4.350 1.897 0.000 0.266 188 T C 1.826 176.561 174.700 0.057 0.000 1.048 188 T CA 1.500 63.626 62.100 0.043 0.000 1.139 188 T CB -0.027 68.860 68.868 0.031 0.000 0.874 188 T HN 0.197 nan 8.240 nan 0.000 0.455 189 E N -0.057 120.186 120.200 0.072 0.000 2.209 189 E HA -0.263 5.225 4.350 1.897 0.000 0.196 189 E C 2.197 178.886 176.600 0.148 0.000 0.993 189 E CA 1.493 57.952 56.400 0.099 0.000 0.819 189 E CB -0.147 29.629 29.700 0.127 0.000 0.745 189 E HN 0.664 nan 8.360 nan 0.000 0.477 190 Q N 0.814 120.708 119.800 0.157 0.000 2.079 190 Q HA -0.124 5.354 4.340 1.897 0.000 0.200 190 Q C 2.022 178.161 176.000 0.232 0.000 0.974 190 Q CA 1.606 57.552 55.803 0.237 0.000 0.840 190 Q CB -0.085 28.718 28.738 0.109 0.000 0.898 190 Q HN 0.127 nan 8.270 nan 0.000 0.430 191 R N -0.714 119.858 120.500 0.120 0.000 2.093 191 R HA -0.001 5.477 4.340 1.897 0.000 0.224 191 R C 2.277 178.612 176.300 0.057 0.000 1.101 191 R CA 1.479 57.631 56.100 0.087 0.000 0.979 191 R CB -0.234 30.098 30.300 0.054 0.000 0.877 191 R HN 0.327 nan 8.270 nan 0.000 0.441 192 T N 1.637 116.213 114.554 0.038 0.000 2.635 192 T HA -0.167 5.321 4.350 1.897 0.000 0.267 192 T C 1.780 176.434 174.700 -0.076 0.000 1.040 192 T CA 1.426 63.520 62.100 -0.011 0.000 1.156 192 T CB -0.157 68.706 68.868 -0.008 0.000 0.863 192 T HN 0.136 nan 8.240 nan 0.000 0.430 193 L N -1.349 119.797 121.223 -0.129 0.000 2.095 193 L HA 0.030 5.508 4.340 1.897 0.000 0.204 193 L C 1.785 178.354 176.870 -0.501 0.000 1.080 193 L CA 1.302 55.866 54.840 -0.459 0.000 0.759 193 L CB -0.253 41.336 42.059 -0.783 0.000 0.914 193 L HN 0.349 nan 8.230 nan 0.000 0.439 194 Y N -2.170 118.192 120.300 0.102 0.000 2.471 194 Y HA 0.223 5.911 4.550 1.897 0.000 0.249 194 Y C 0.574 176.520 175.900 0.077 0.000 1.116 194 Y CA -0.820 57.352 58.100 0.119 0.000 1.240 194 Y CB 0.189 38.593 38.460 -0.093 0.000 1.251 194 Y HN 0.021 nan 8.280 nan 0.000 0.527 195 Q N 2.956 122.854 119.800 0.163 0.000 2.447 195 Q HA -0.267 5.211 4.340 1.897 0.000 0.348 195 Q C -0.907 175.148 176.000 0.092 0.000 1.421 195 Q CA 1.480 57.348 55.803 0.109 0.000 0.978 195 Q CB -1.850 26.948 28.738 0.100 0.000 1.191 195 Q HN 0.868 nan 8.270 nan 0.000 0.371 196 N N -2.051 116.690 118.700 0.067 0.000 7.634 196 N HA 0.188 6.065 4.740 1.897 0.000 0.083 196 N C -0.844 174.666 175.510 -0.001 0.000 0.871 196 N CA -0.344 52.724 53.050 0.031 0.000 1.287 196 N CB -0.204 38.302 38.487 0.032 0.000 1.222 196 N HN 0.068 nan 8.380 nan 0.000 1.355 197 V N 0.819 120.735 119.914 0.004 0.000 3.133 197 V HA 0.702 5.960 4.120 1.897 0.000 0.305 197 V C 1.755 177.842 176.094 -0.013 0.000 1.084 197 V CA 0.705 62.995 62.300 -0.017 0.000 1.089 197 V CB 0.831 32.649 31.823 -0.009 0.000 1.073 197 V HN 1.264 nan 8.190 nan 0.000 0.477 198 G N 0.991 109.779 108.800 -0.020 0.000 2.137 198 G HA2 -0.002 5.096 3.960 1.897 0.000 0.237 198 G HA3 -0.002 5.096 3.960 1.897 0.000 0.237 198 G C 0.290 175.220 174.900 0.049 0.000 1.002 198 G CA 0.139 45.249 45.100 0.017 0.000 0.702 198 G HN 1.607 nan 8.290 nan 0.000 0.515 199 A N -0.278 122.516 122.820 -0.044 0.000 2.425 199 A HA 0.736 6.194 4.320 1.897 0.000 0.242 199 A C 0.002 177.581 177.584 -0.008 0.000 1.077 199 A CA 0.749 52.712 52.037 -0.123 0.000 0.781 199 A CB 0.280 19.099 19.000 -0.303 0.000 1.020 199 A HN 1.877 nan 8.150 nan 0.000 0.494 200 Y N -1.846 118.393 120.300 -0.101 0.000 2.544 200 Y HA 0.633 6.321 4.550 1.896 0.000 0.342 200 Y C -1.172 174.704 175.900 -0.040 0.000 1.062 200 Y CA -1.508 56.552 58.100 -0.066 0.000 1.023 200 Y CB 1.064 39.501 38.460 -0.040 0.000 1.308 200 Y HN 0.339 nan 8.280 nan 0.000 0.457 201 V N 2.778 122.727 119.914 0.058 0.000 2.376 201 V HA 0.458 5.716 4.120 1.897 0.000 0.287 201 V C -0.530 175.623 176.094 0.099 0.000 1.015 201 V CA -0.437 61.871 62.300 0.014 0.000 0.834 201 V CB 1.209 33.062 31.823 0.049 0.000 1.001 201 V HN 0.843 nan 8.190 nan 0.000 0.428 202 S N 4.222 119.983 115.700 0.103 0.000 2.433 202 S HA 0.723 6.331 4.470 1.897 0.000 0.310 202 S C -0.534 173.980 174.600 -0.143 0.000 1.097 202 S CA -0.432 57.800 58.200 0.053 0.000 1.103 202 S CB 1.145 64.445 63.200 0.167 0.000 0.992 202 S HN 0.491 nan 8.310 nan 0.000 0.469 203 V N 3.411 123.138 119.914 -0.313 0.000 2.495 203 V HA 0.906 6.164 4.120 1.897 0.000 0.298 203 V C 0.545 176.394 176.094 -0.409 0.000 1.031 203 V CA -0.674 61.248 62.300 -0.628 0.000 0.871 203 V CB 1.456 32.545 31.823 -1.224 0.000 0.988 203 V HN 0.897 nan 8.190 nan 0.000 0.432 204 G N 2.076 110.649 108.800 -0.378 0.000 2.682 204 G HA2 0.803 5.901 3.960 1.897 0.000 0.300 204 G HA3 0.803 5.901 3.960 1.897 0.000 0.300 204 G C -0.645 174.139 174.900 -0.194 0.000 1.391 204 G CA 0.012 44.981 45.100 -0.219 0.000 0.990 204 G HN 0.903 nan 8.290 nan 0.000 0.501 205 T N -2.152 112.330 114.554 -0.120 0.000 2.618 205 T HA 0.513 6.001 4.350 1.897 0.000 0.286 205 T C 1.271 175.945 174.700 -0.044 0.000 1.027 205 T CA 0.036 62.091 62.100 -0.076 0.000 1.063 205 T CB 1.178 70.014 68.868 -0.052 0.000 1.440 205 T HN 0.246 nan 8.240 nan 0.000 0.505 206 S N 0.548 116.233 115.700 -0.024 0.000 2.442 206 S HA -0.027 5.580 4.470 1.897 0.000 0.236 206 S C 1.849 176.442 174.600 -0.011 0.000 1.007 206 S CA 1.801 59.992 58.200 -0.014 0.000 0.965 206 S CB -0.630 62.567 63.200 -0.005 0.000 0.773 206 S HN 0.974 nan 8.310 nan 0.000 0.504 207 T N -2.016 112.532 114.554 -0.010 0.000 2.986 207 T HA 0.394 5.882 4.350 1.897 0.000 0.264 207 T C 0.017 174.712 174.700 -0.009 0.000 0.964 207 T CA -0.433 61.664 62.100 -0.005 0.000 0.895 207 T CB -0.059 68.812 68.868 0.005 0.000 1.163 207 T HN 0.226 nan 8.240 nan 0.000 0.517 208 L N 1.544 122.756 121.223 -0.018 0.000 2.362 208 L HA 0.792 6.270 4.340 1.897 0.000 0.275 208 L C -1.554 175.286 176.870 -0.049 0.000 0.998 208 L CA -0.815 54.012 54.840 -0.021 0.000 0.820 208 L CB 1.932 43.992 42.059 0.002 0.000 1.270 208 L HN 0.210 nan 8.230 nan 0.000 0.415 209 N N 3.751 122.429 118.700 -0.037 0.000 2.461 209 N HA 0.461 6.339 4.740 1.897 0.000 0.284 209 N C -1.697 173.796 175.510 -0.028 0.000 1.049 209 N CA -0.668 52.352 53.050 -0.050 0.000 0.889 209 N CB 1.315 39.779 38.487 -0.039 0.000 1.365 209 N HN 0.670 nan 8.380 nan 0.000 0.499 210 K N 2.740 123.117 120.400 -0.039 0.000 2.535 210 K HA 0.459 5.917 4.320 1.897 0.000 0.250 210 K C -1.176 175.433 176.600 0.014 0.000 0.948 210 K CA -0.768 55.526 56.287 0.012 0.000 0.796 210 K CB 1.363 33.915 32.500 0.087 0.000 1.216 210 K HN 0.494 nan 8.250 nan 0.000 0.432 211 R N 0.990 121.511 120.500 0.036 0.000 2.607 211 R HA 0.575 6.053 4.340 1.897 0.000 0.261 211 R C -1.287 175.063 176.300 0.084 0.000 1.051 211 R CA -0.123 56.019 56.100 0.071 0.000 1.110 211 R CB 1.470 31.793 30.300 0.039 0.000 1.158 211 R HN 0.795 nan 8.270 nan 0.000 0.543 212 S N 1.223 116.983 115.700 0.101 0.000 2.556 212 S HA 0.436 6.044 4.470 1.897 0.000 0.280 212 S C -1.363 173.265 174.600 0.048 0.000 1.141 212 S CA -1.084 57.162 58.200 0.077 0.000 0.883 212 S CB 0.721 63.987 63.200 0.110 0.000 1.103 212 S HN 0.348 nan 8.310 nan 0.000 0.453 213 L N 1.026 122.246 121.223 -0.005 0.000 2.354 213 L HA 0.637 6.115 4.340 1.897 0.000 0.269 213 L C -2.605 174.155 176.870 -0.184 0.000 1.005 213 L CA -2.658 52.146 54.840 -0.059 0.000 0.819 213 L CB 1.512 43.551 42.059 -0.034 0.000 1.311 213 L HN 0.389 nan 8.230 nan 0.000 0.423 214 P HA -0.068 nan 4.420 nan 0.000 0.263 214 P C -0.694 176.355 177.300 -0.419 0.000 1.168 214 P CA 0.466 63.283 63.100 -0.472 0.000 0.759 214 P CB 0.357 31.851 31.700 -0.344 0.000 0.782 215 E N 2.910 122.730 120.200 -0.633 0.000 2.884 215 E HA 0.197 5.685 4.350 1.897 0.000 0.221 215 E C 0.072 176.630 176.600 -0.070 0.000 1.137 215 E CA -0.410 55.871 56.400 -0.199 0.000 1.160 215 E CB 0.106 29.828 29.700 0.036 0.000 1.385 215 E HN 0.433 nan 8.360 nan 0.000 0.442 216 I N 2.064 122.573 120.570 -0.101 0.000 2.668 216 I HA 0.030 5.338 4.170 1.897 0.000 0.285 216 I C 0.462 176.582 176.117 0.005 0.000 1.168 216 I CA 0.455 61.732 61.300 -0.038 0.000 1.424 216 I CB 0.377 38.350 38.000 -0.044 0.000 1.377 216 I HN 0.282 nan 8.210 nan 0.000 0.560 217 A N 4.822 127.657 122.820 0.026 0.000 2.515 217 A HA 0.628 6.086 4.320 1.897 0.000 0.296 217 A C -0.360 177.238 177.584 0.024 0.000 1.094 217 A CA -0.528 51.524 52.037 0.024 0.000 0.718 217 A CB 1.516 20.535 19.000 0.031 0.000 1.307 217 A HN 0.580 nan 8.150 nan 0.000 0.408 218 T N 3.119 117.685 114.554 0.020 0.000 2.782 218 T HA 0.441 5.929 4.350 1.897 0.000 0.298 218 T C 0.216 174.927 174.700 0.018 0.000 0.944 218 T CA -0.301 61.811 62.100 0.020 0.000 1.001 218 T CB -0.458 68.421 68.868 0.018 0.000 0.932 218 T HN 0.680 nan 8.240 nan 0.000 0.524 219 R N 3.188 123.699 120.500 0.019 0.000 2.892 219 R HA 0.735 6.213 4.340 1.897 0.000 0.265 219 R C -3.032 173.276 176.300 0.012 0.000 1.025 219 R CA -2.073 54.034 56.100 0.013 0.000 0.982 219 R CB -0.587 29.718 30.300 0.009 0.000 1.185 219 R HN 0.207 nan 8.270 nan 0.000 0.484 220 P HA 0.268 nan 4.420 nan 0.000 0.289 220 P C -0.904 176.396 177.300 0.001 0.000 1.299 220 P CA -0.545 62.558 63.100 0.005 0.000 0.766 220 P CB 0.470 32.172 31.700 0.003 0.000 1.226 221 E N -0.537 119.663 120.200 0.001 0.000 2.175 221 E HA 0.389 5.877 4.350 1.897 0.000 0.278 221 E C -1.136 175.455 176.600 -0.015 0.000 0.969 221 E CA -0.656 55.741 56.400 -0.005 0.000 0.796 221 E CB 1.235 30.938 29.700 0.005 0.000 1.104 221 E HN 0.046 nan 8.360 nan 0.000 0.395 222 V N 4.414 124.308 119.914 -0.033 0.000 2.349 222 V HA 0.137 5.395 4.120 1.897 0.000 0.284 222 V C -0.517 175.550 176.094 -0.044 0.000 1.014 222 V CA -0.950 61.328 62.300 -0.036 0.000 0.826 222 V CB 0.897 32.692 31.823 -0.045 0.000 1.009 222 V HN 0.785 nan 8.190 nan 0.000 0.431 223 N N 3.540 122.228 118.700 -0.019 0.000 2.758 223 N HA -0.175 5.703 4.740 1.897 0.000 0.248 223 N C 1.188 176.699 175.510 0.002 0.000 1.076 223 N CA 1.478 54.524 53.050 -0.007 0.000 0.696 223 N CB -1.376 37.108 38.487 -0.006 0.000 0.979 223 N HN 1.495 nan 8.380 nan 0.000 0.550 224 G N -1.798 107.004 108.800 0.004 0.000 2.200 224 G HA2 -0.382 4.716 3.960 1.897 0.000 0.268 224 G HA3 -0.382 4.716 3.960 1.897 0.000 0.268 224 G C -0.181 174.732 174.900 0.021 0.000 0.986 224 G CA 0.809 45.920 45.100 0.017 0.000 0.677 224 G HN 0.486 nan 8.290 nan 0.000 0.532 225 Q N -0.357 119.436 119.800 -0.013 0.000 2.290 225 Q HA 0.551 6.029 4.340 1.897 0.000 0.259 225 Q C 1.321 177.301 176.000 -0.034 0.000 0.941 225 Q CA 0.288 56.073 55.803 -0.031 0.000 0.912 225 Q CB 1.352 29.974 28.738 -0.193 0.000 1.244 225 Q HN 0.266 nan 8.270 nan 0.000 0.441 226 G N 2.106 110.925 108.800 0.032 0.000 2.492 226 G HA2 0.013 5.111 3.960 1.897 0.000 0.214 226 G HA3 0.013 5.111 3.960 1.897 0.000 0.214 226 G C 0.701 175.632 174.900 0.051 0.000 1.147 226 G CA 0.482 45.606 45.100 0.039 0.000 0.809 226 G HN 0.623 nan 8.290 nan 0.000 0.533 227 G N -0.283 108.596 108.800 0.131 0.000 2.683 227 G HA2 0.472 5.570 3.960 1.897 0.000 0.260 227 G HA3 0.472 5.570 3.960 1.897 0.000 0.260 227 G C -0.306 174.649 174.900 0.092 0.000 1.238 227 G CA -0.388 44.859 45.100 0.245 0.000 0.934 227 G HN 0.246 nan 8.290 nan 0.000 0.534 228 R N -0.960 119.649 120.500 0.182 0.000 2.707 228 R HA 0.430 5.908 4.340 1.897 0.000 0.272 228 R C -0.775 175.651 176.300 0.210 0.000 1.011 228 R CA -0.762 55.384 56.100 0.076 0.000 0.893 228 R CB 1.751 31.999 30.300 -0.087 0.000 1.233 228 R HN 0.500 nan 8.270 nan 0.000 0.464 229 M N 1.331 121.004 119.600 0.121 0.000 2.321 229 M HA 0.377 5.995 4.480 1.897 0.000 0.315 229 M C -0.330 175.701 176.300 -0.447 0.000 1.052 229 M CA -0.708 54.524 55.300 -0.112 0.000 0.936 229 M CB 2.537 35.114 32.600 -0.038 0.000 1.639 229 M HN 0.530 nan 8.290 nan 0.000 0.433 230 E N 3.118 122.937 120.200 -0.635 0.000 2.165 230 E HA 0.609 6.097 4.350 1.897 0.000 0.266 230 E C -1.910 174.240 176.600 -0.749 0.000 0.889 230 E CA -0.392 55.679 56.400 -0.549 0.000 0.756 230 E CB 1.244 30.708 29.700 -0.393 0.000 1.131 230 E HN 0.434 nan 8.360 nan 0.000 0.411 231 F N 1.997 121.686 119.950 -0.434 0.000 2.507 231 F HA 0.602 6.265 4.527 1.893 0.000 0.327 231 F C -0.081 175.179 175.800 -0.900 0.000 1.068 231 F CA -0.611 56.941 58.000 -0.747 0.000 0.965 231 F CB 2.495 40.875 39.000 -1.034 0.000 1.192 231 F HN 0.345 nan 8.300 nan 0.000 0.476 232 S N 1.917 117.140 115.700 -0.796 0.000 2.533 232 S HA 0.507 6.115 4.470 1.897 0.000 0.271 232 S C -1.624 172.383 174.600 -0.988 0.000 1.143 232 S CA -0.966 56.776 58.200 -0.763 0.000 0.891 232 S CB 1.728 64.504 63.200 -0.707 0.000 1.105 232 S HN 0.716 nan 8.310 nan 0.000 0.468 233 W N 0.674 121.628 121.300 -0.577 0.000 3.021 233 W HA 0.873 6.663 4.660 1.883 0.000 0.337 233 W C -0.595 175.937 176.519 0.020 0.000 1.171 233 W CA -0.886 56.274 57.345 -0.308 0.000 1.060 233 W CB 0.709 30.173 29.460 0.007 0.000 1.472 233 W HN 0.727 nan 8.180 nan 0.000 0.594 234 T N -0.357 114.519 114.554 0.537 0.000 2.661 234 T HA 0.577 6.065 4.350 1.897 0.000 0.305 234 T C -2.103 172.920 174.700 0.538 0.000 1.441 234 T CA -0.631 61.701 62.100 0.388 0.000 0.999 234 T CB 1.259 70.359 68.868 0.386 0.000 1.650 234 T HN 0.405 nan 8.240 nan 0.000 0.489 235 I N 2.810 123.596 120.570 0.360 0.000 2.540 235 I HA 0.363 5.671 4.170 1.897 0.000 0.280 235 I C -1.008 175.229 176.117 0.200 0.000 1.083 235 I CA -0.761 60.725 61.300 0.311 0.000 1.080 235 I CB 1.716 39.904 38.000 0.312 0.000 1.205 235 I HN 0.450 nan 8.210 nan 0.000 0.459 236 L N 6.685 128.024 121.223 0.193 0.000 2.369 236 L HA 0.287 5.765 4.340 1.897 0.000 0.279 236 L C 0.139 177.047 176.870 0.064 0.000 1.108 236 L CA 0.500 55.416 54.840 0.126 0.000 0.852 236 L CB 0.036 42.191 42.059 0.159 0.000 1.169 236 L HN 0.392 nan 8.230 nan 0.000 0.452 237 D N 4.082 124.490 120.400 0.013 0.000 2.360 237 D HA 0.105 5.883 4.640 1.897 0.000 0.242 237 D C 0.672 176.880 176.300 -0.153 0.000 1.184 237 D CA -0.200 53.764 54.000 -0.060 0.000 0.930 237 D CB 0.691 41.453 40.800 -0.064 0.000 1.161 237 D HN 0.359 nan 8.370 nan 0.000 0.447 238 I N 0.182 120.555 120.570 -0.329 0.000 3.207 238 I HA -0.266 5.042 4.170 1.897 0.000 0.318 238 I C 0.773 176.569 176.117 -0.535 0.000 1.200 238 I CA 0.556 61.401 61.300 -0.758 0.000 1.451 238 I CB -0.160 37.180 38.000 -1.100 0.000 1.299 238 I HN 0.562 nan 8.210 nan 0.000 0.564 239 W N 2.145 123.425 121.300 -0.032 0.000 7.938 239 W HA -0.319 5.480 4.660 1.899 0.000 0.407 239 W C 0.731 177.218 176.519 -0.054 0.000 1.487 239 W CA 0.110 57.422 57.345 -0.054 0.000 1.263 239 W CB -1.342 28.095 29.460 -0.037 0.000 2.646 239 W HN 0.551 nan 8.180 nan 0.000 1.751 240 D N -0.131 120.307 120.400 0.064 0.000 2.530 240 D HA 0.540 6.318 4.640 1.897 0.000 0.282 240 D C 0.158 176.456 176.300 -0.003 0.000 1.204 240 D CA 0.276 54.291 54.000 0.024 0.000 1.093 240 D CB 1.532 42.328 40.800 -0.006 0.000 1.154 240 D HN -0.141 nan 8.370 nan 0.000 0.593 241 T N -0.246 114.297 114.554 -0.018 0.000 3.933 241 T HA 0.283 5.771 4.350 1.897 0.000 0.357 241 T C -0.620 174.065 174.700 -0.026 0.000 1.077 241 T CA -0.773 61.304 62.100 -0.038 0.000 1.082 241 T CB -0.269 68.570 68.868 -0.049 0.000 1.158 241 T HN 0.384 nan 8.240 nan 0.000 0.472 242 I N 3.862 124.434 120.570 0.004 0.000 2.945 242 I HA 0.586 5.894 4.170 1.897 0.000 0.292 242 I C -0.412 175.620 176.117 -0.142 0.000 1.093 242 I CA -0.504 60.739 61.300 -0.096 0.000 1.336 242 I CB 0.795 38.746 38.000 -0.081 0.000 1.435 242 I HN 0.884 nan 8.210 nan 0.000 0.593 243 N N 4.202 122.685 118.700 -0.361 0.000 2.336 243 N HA 0.448 6.326 4.740 1.897 0.000 0.290 243 N C -1.827 173.393 175.510 -0.485 0.000 1.058 243 N CA -0.542 52.354 53.050 -0.257 0.000 0.865 243 N CB 1.702 40.108 38.487 -0.135 0.000 1.581 243 N HN 0.317 nan 8.380 nan 0.000 0.480 244 F N 0.863 120.811 119.950 -0.003 0.000 2.492 244 F HA 0.517 6.181 4.527 1.895 0.000 0.327 244 F C 0.204 176.036 175.800 0.052 0.000 1.079 244 F CA -0.608 57.395 58.000 0.005 0.000 0.967 244 F CB 1.948 41.002 39.000 0.090 0.000 1.169 244 F HN 0.341 nan 8.300 nan 0.000 0.472 245 E N 1.199 121.531 120.200 0.220 0.000 2.343 245 E HA 0.517 6.005 4.350 1.897 0.000 0.286 245 E C -1.776 174.837 176.600 0.021 0.000 0.915 245 E CA -0.440 56.053 56.400 0.154 0.000 0.784 245 E CB 1.766 31.567 29.700 0.167 0.000 1.251 245 E HN 0.541 nan 8.360 nan 0.000 0.407 246 S N 2.089 117.752 115.700 -0.061 0.000 2.543 246 S HA 0.317 5.925 4.470 1.897 0.000 0.271 246 S C -0.182 174.266 174.600 -0.253 0.000 1.148 246 S CA -0.090 57.936 58.200 -0.290 0.000 0.914 246 S CB 1.448 64.582 63.200 -0.109 0.000 1.096 246 S HN 0.576 nan 8.310 nan 0.000 0.471 247 T N 0.579 114.782 114.554 -0.585 0.000 3.223 247 T HA 0.615 6.103 4.350 1.897 0.000 0.259 247 T C 0.793 175.125 174.700 -0.612 0.000 1.015 247 T CA 0.138 62.038 62.100 -0.334 0.000 0.908 247 T CB -0.395 68.337 68.868 -0.225 0.000 1.054 247 T HN 1.604 nan 8.240 nan 0.000 0.567 248 G N 0.598 108.940 108.800 -0.763 0.000 2.312 248 G HA2 0.292 5.389 3.960 1.897 0.000 0.347 248 G HA3 0.292 5.389 3.960 1.897 0.000 0.347 248 G C -0.191 174.381 174.900 -0.547 0.000 1.564 248 G CA -0.307 44.174 45.100 -1.033 0.000 0.981 248 G HN 0.056 nan 8.290 nan 0.000 0.678 249 N N -2.173 116.219 118.700 -0.513 0.000 2.938 249 N HA -0.185 5.693 4.740 1.897 0.000 0.195 249 N C 0.886 176.340 175.510 -0.093 0.000 0.990 249 N CA 0.925 53.663 53.050 -0.521 0.000 1.020 249 N CB -0.663 37.491 38.487 -0.554 0.000 0.986 249 N HN 1.108 nan 8.380 nan 0.000 0.575 250 L N 3.044 124.254 121.223 -0.021 0.000 2.543 250 L HA 0.152 5.630 4.340 1.897 0.000 0.285 250 L C -0.103 176.796 176.870 0.048 0.000 1.236 250 L CA 0.745 55.605 54.840 0.035 0.000 0.871 250 L CB 0.301 42.356 42.059 -0.006 0.000 1.121 250 L HN 0.032 nan 8.230 nan 0.000 0.501 251 I N 5.285 125.893 120.570 0.063 0.000 2.389 251 I HA 0.511 5.819 4.170 1.897 0.000 0.288 251 I C 0.257 176.433 176.117 0.097 0.000 0.999 251 I CA -0.579 60.768 61.300 0.078 0.000 1.129 251 I CB 0.651 38.727 38.000 0.126 0.000 1.288 251 I HN 0.782 nan 8.210 nan 0.000 0.444 252 A N 8.874 131.682 122.820 -0.020 0.000 2.306 252 A HA 0.922 6.380 4.320 1.897 0.000 0.330 252 A C -2.548 175.053 177.584 0.029 0.000 1.146 252 A CA -1.493 50.479 52.037 -0.108 0.000 0.827 252 A CB 0.630 19.457 19.000 -0.289 0.000 1.178 252 A HN 0.447 nan 8.150 nan 0.000 0.490 253 P HA 0.176 nan 4.420 nan 0.000 0.272 253 P C 0.100 177.411 177.300 0.018 0.000 1.230 253 P CA 0.033 63.193 63.100 0.100 0.000 0.788 253 P CB 0.857 32.666 31.700 0.182 0.000 0.949 254 E N 0.252 120.428 120.200 -0.040 0.000 2.340 254 E HA 0.037 5.525 4.350 1.897 0.000 0.198 254 E C -0.501 175.759 176.600 -0.567 0.000 0.961 254 E CA 0.221 56.438 56.400 -0.304 0.000 0.905 254 E CB 0.244 29.689 29.700 -0.424 0.000 0.884 254 E HN 0.439 nan 8.360 nan 0.000 0.491 255 Y N -0.780 119.458 120.300 -0.102 0.000 2.425 255 Y HA 0.577 6.264 4.550 1.896 0.000 0.344 255 Y C 0.543 176.277 175.900 -0.277 0.000 0.969 255 Y CA -0.916 57.026 58.100 -0.264 0.000 1.052 255 Y CB 2.050 40.257 38.460 -0.422 0.000 1.215 255 Y HN -0.055 nan 8.280 nan 0.000 0.451 256 G N 1.385 110.095 108.800 -0.150 0.000 2.568 256 G HA2 0.672 5.770 3.960 1.897 0.000 0.293 256 G HA3 0.672 5.770 3.960 1.897 0.000 0.293 256 G C -1.640 173.016 174.900 -0.407 0.000 1.347 256 G CA -0.615 44.458 45.100 -0.045 0.000 1.039 256 G HN 0.431 nan 8.290 nan 0.000 0.523 257 F N -0.679 119.204 119.950 -0.112 0.000 2.547 257 F HA 0.411 6.079 4.527 1.902 0.000 0.316 257 F C 0.366 176.024 175.800 -0.235 0.000 1.121 257 F CA -0.932 56.872 58.000 -0.327 0.000 0.911 257 F CB 2.483 41.102 39.000 -0.634 0.000 1.179 257 F HN 0.097 nan 8.300 nan 0.000 0.443 258 K N 3.379 123.704 120.400 -0.124 0.000 2.368 258 K HA 0.503 5.961 4.320 1.897 0.000 0.282 258 K C -0.920 175.658 176.600 -0.037 0.000 1.035 258 K CA 0.013 56.270 56.287 -0.050 0.000 0.973 258 K CB 1.108 33.566 32.500 -0.071 0.000 0.957 258 K HN 0.559 nan 8.250 nan 0.000 0.474 259 I N 1.786 122.406 120.570 0.083 0.000 2.468 259 I HA 0.098 5.406 4.170 1.897 0.000 0.285 259 I C -1.057 175.134 176.117 0.124 0.000 1.039 259 I CA -0.140 61.246 61.300 0.142 0.000 1.074 259 I CB 1.827 39.924 38.000 0.161 0.000 1.228 259 I HN 0.462 nan 8.210 nan 0.000 0.436 260 S N 6.904 122.684 115.700 0.132 0.000 2.640 260 S HA 0.515 6.123 4.470 1.897 0.000 0.320 260 S C -0.594 173.995 174.600 -0.017 0.000 1.097 260 S CA -0.691 57.534 58.200 0.042 0.000 1.092 260 S CB 0.878 64.075 63.200 -0.005 0.000 0.988 260 S HN 0.434 nan 8.310 nan 0.000 0.470 261 K N 1.592 121.978 120.400 -0.024 0.000 2.245 261 K HA 0.536 5.994 4.320 1.897 0.000 0.234 261 K C 0.862 177.425 176.600 -0.061 0.000 1.021 261 K CA -0.850 55.406 56.287 -0.053 0.000 0.898 261 K CB 1.293 33.776 32.500 -0.028 0.000 1.163 261 K HN 0.653 nan 8.250 nan 0.000 0.459 262 R N -1.046 119.408 120.500 -0.076 0.000 2.532 262 R HA 0.242 5.720 4.340 1.897 0.000 0.312 262 R C 0.158 176.415 176.300 -0.073 0.000 0.923 262 R CA -0.109 55.949 56.100 -0.071 0.000 1.115 262 R CB 0.991 31.240 30.300 -0.085 0.000 1.703 262 R HN 0.659 nan 8.270 nan 0.000 0.498 263 G N 0.545 109.295 108.800 -0.082 0.000 2.488 263 G HA2 0.299 5.397 3.960 1.897 0.000 0.301 263 G HA3 0.299 5.397 3.960 1.897 0.000 0.301 263 G C -1.068 173.784 174.900 -0.080 0.000 1.339 263 G CA -0.261 44.790 45.100 -0.081 0.000 0.803 263 G HN 0.190 nan 8.290 nan 0.000 0.482 264 S N -1.229 114.442 115.700 -0.049 0.000 2.640 264 S HA 0.830 6.438 4.470 1.897 0.000 0.262 264 S C 0.460 175.046 174.600 -0.024 0.000 1.232 264 S CA 0.689 58.868 58.200 -0.035 0.000 0.988 264 S CB 1.434 64.693 63.200 0.098 0.000 1.034 264 S HN 2.328 nan 8.310 nan 0.000 0.569 265 S N -2.015 113.677 115.700 -0.013 0.000 2.653 265 S HA 0.546 6.154 4.470 1.897 0.000 0.264 265 S C -0.480 174.158 174.600 0.063 0.000 1.070 265 S CA -0.380 57.909 58.200 0.150 0.000 0.885 265 S CB 0.208 63.518 63.200 0.184 0.000 1.157 265 S HN 1.562 nan 8.310 nan 0.000 0.479 266 G N 0.093 108.958 108.800 0.109 0.000 3.016 266 G HA2 0.782 5.880 3.960 1.897 0.000 0.270 266 G HA3 0.782 5.880 3.960 1.897 0.000 0.270 266 G C -1.403 173.524 174.900 0.046 0.000 1.352 266 G CA -0.699 44.435 45.100 0.057 0.000 1.060 266 G HN 0.761 nan 8.290 nan 0.000 0.538 267 I N 0.558 121.128 120.570 -0.000 0.000 2.498 267 I HA 0.332 5.639 4.170 1.897 0.000 0.290 267 I C -0.496 175.610 176.117 -0.017 0.000 1.032 267 I CA -0.547 60.730 61.300 -0.038 0.000 1.073 267 I CB 2.226 40.158 38.000 -0.115 0.000 1.251 267 I HN 0.405 nan 8.210 nan 0.000 0.426 268 M N 7.154 126.762 119.600 0.014 0.000 2.088 268 M HA 0.330 5.948 4.480 1.897 0.000 0.346 268 M C -0.852 175.412 176.300 -0.059 0.000 1.111 268 M CA -0.321 54.986 55.300 0.010 0.000 1.017 268 M CB 0.389 33.080 32.600 0.151 0.000 1.568 268 M HN 0.362 nan 8.290 nan 0.000 0.445 269 K N 4.281 124.636 120.400 -0.075 0.000 2.150 269 K HA 0.208 5.666 4.320 1.897 0.000 0.261 269 K C -0.492 176.051 176.600 -0.095 0.000 1.127 269 K CA -0.074 56.163 56.287 -0.083 0.000 0.989 269 K CB 0.393 32.855 32.500 -0.063 0.000 1.475 269 K HN 0.702 nan 8.250 nan 0.000 0.391 270 T N 0.544 115.039 114.554 -0.097 0.000 2.901 270 T HA 0.218 5.706 4.350 1.897 0.000 0.293 270 T C -0.335 174.311 174.700 -0.089 0.000 1.084 270 T CA -0.564 61.478 62.100 -0.096 0.000 1.008 270 T CB 1.465 70.276 68.868 -0.094 0.000 1.170 270 T HN 0.469 nan 8.240 nan 0.000 0.509 271 E N 1.047 121.201 120.200 -0.076 0.000 2.609 271 E HA 0.319 5.806 4.350 1.897 0.000 0.208 271 E C 0.585 177.146 176.600 -0.064 0.000 1.013 271 E CA -0.481 55.877 56.400 -0.069 0.000 1.093 271 E CB 0.361 30.028 29.700 -0.054 0.000 1.129 271 E HN 0.716 nan 8.360 nan 0.000 0.450 272 G N -0.034 108.724 108.800 -0.069 0.000 2.736 272 G HA2 0.399 5.497 3.960 1.897 0.000 0.229 272 G HA3 0.399 5.497 3.960 1.897 0.000 0.229 272 G C -0.435 174.422 174.900 -0.071 0.000 1.380 272 G CA -0.186 44.879 45.100 -0.059 0.000 1.040 272 G HN 0.094 nan 8.290 nan 0.000 0.568 273 T N -1.499 113.020 114.554 -0.059 0.000 2.933 273 T HA 0.491 5.979 4.350 1.897 0.000 0.305 273 T C -0.280 174.389 174.700 -0.051 0.000 1.092 273 T CA -0.621 61.438 62.100 -0.069 0.000 1.008 273 T CB 1.070 69.900 68.868 -0.064 0.000 1.102 273 T HN 1.002 nan 8.240 nan 0.000 0.469 274 L N 2.393 123.579 121.223 -0.062 0.000 2.461 274 L HA 0.587 6.065 4.340 1.897 0.000 0.272 274 L C 0.351 177.209 176.870 -0.020 0.000 1.197 274 L CA 0.036 54.858 54.840 -0.030 0.000 0.836 274 L CB 0.356 42.391 42.059 -0.040 0.000 1.105 274 L HN 0.824 nan 8.230 nan 0.000 0.477 275 E N 1.849 122.048 120.200 -0.002 0.000 2.869 275 E HA 0.084 5.571 4.350 1.897 0.000 0.207 275 E C -0.692 175.910 176.600 0.004 0.000 0.986 275 E CA -0.317 56.082 56.400 -0.002 0.000 1.131 275 E CB 0.142 29.843 29.700 0.002 0.000 1.098 275 E HN 0.821 nan 8.360 nan 0.000 0.459 276 N N 1.130 119.834 118.700 0.007 0.000 2.473 276 N HA -0.237 5.640 4.740 1.897 0.000 0.298 276 N C -0.740 174.779 175.510 0.015 0.000 1.390 276 N CA 1.015 54.072 53.050 0.011 0.000 0.659 276 N CB -1.169 37.322 38.487 0.007 0.000 0.968 276 N HN 0.455 nan 8.380 nan 0.000 0.508 277 c N -0.021 118.592 118.600 0.022 0.000 3.094 277 c HA 0.845 6.553 4.570 1.897 0.000 0.323 277 c C -0.844 173.261 174.090 0.025 0.000 5.280 277 c CA 0.035 56.376 56.329 0.020 0.000 1.432 277 c CB 0.454 42.975 42.510 0.018 0.000 6.032 277 c HN 0.955 nan 8.230 nan 0.000 0.417 278 E N 0.051 120.264 120.200 0.023 0.000 2.537 278 E HA 0.648 6.136 4.350 1.897 0.000 0.301 278 E C -1.010 175.597 176.600 0.012 0.000 0.990 278 E CA 0.694 57.106 56.400 0.021 0.000 0.828 278 E CB 1.670 31.379 29.700 0.016 0.000 1.243 278 E HN 1.144 nan 8.360 nan 0.000 0.414 279 T N 2.183 116.741 114.554 0.008 0.000 2.754 279 T HA 0.580 6.068 4.350 1.897 0.000 0.296 279 T C -0.544 174.151 174.700 -0.009 0.000 1.205 279 T CA -0.405 61.689 62.100 -0.010 0.000 1.009 279 T CB 1.351 70.200 68.868 -0.032 0.000 1.368 279 T HN 0.318 nan 8.240 nan 0.000 0.509 280 K N -0.013 120.375 120.400 -0.021 0.000 2.438 280 K HA 0.419 5.877 4.320 1.897 0.000 0.206 280 K C -0.573 176.000 176.600 -0.046 0.000 1.081 280 K CA -0.052 56.231 56.287 -0.007 0.000 1.053 280 K CB 0.416 32.916 32.500 0.000 0.000 0.908 280 K HN 0.552 nan 8.250 nan 0.000 0.556 281 c N 1.048 119.594 118.600 -0.090 0.000 2.789 281 c HA 0.558 6.266 4.570 1.897 0.000 0.367 281 c C -1.174 172.812 174.090 -0.173 0.000 1.062 281 c CA -0.762 55.477 56.329 -0.150 0.000 1.297 281 c CB 0.206 42.649 42.510 -0.112 0.000 1.794 281 c HN 0.365 nan 8.230 nan 0.000 0.474 282 Q N 2.744 122.392 119.800 -0.254 0.000 2.199 282 Q HA 0.893 6.371 4.340 1.897 0.000 0.232 282 Q C -0.167 175.698 176.000 -0.226 0.000 0.969 282 Q CA 0.276 55.927 55.803 -0.253 0.000 0.925 282 Q CB 1.719 30.218 28.738 -0.398 0.000 1.198 282 Q HN 0.850 nan 8.270 nan 0.000 0.494 283 T N 1.980 116.413 114.554 -0.202 0.000 2.894 283 T HA 0.337 5.825 4.350 1.897 0.000 0.309 283 T C -2.377 172.186 174.700 -0.228 0.000 1.208 283 T CA -1.127 60.841 62.100 -0.219 0.000 1.016 283 T CB 1.577 70.294 68.868 -0.252 0.000 1.192 283 T HN 0.448 nan 8.240 nan 0.000 0.491 284 P HA 0.167 nan 4.420 nan 0.000 0.234 284 P C 0.481 177.615 177.300 -0.276 0.000 1.167 284 P CA 0.732 63.644 63.100 -0.314 0.000 0.763 284 P CB 0.087 31.477 31.700 -0.517 0.000 0.835 285 L N -3.256 117.787 121.223 -0.300 0.000 3.298 285 L HA 0.542 6.020 4.340 1.897 0.000 0.296 285 L C 0.752 177.382 176.870 -0.400 0.000 1.237 285 L CA -0.413 54.260 54.840 -0.279 0.000 1.038 285 L CB 0.650 42.552 42.059 -0.262 0.000 1.423 285 L HN -0.037 nan 8.230 nan 0.000 0.605 286 G N 0.443 109.066 108.800 -0.295 0.000 2.361 286 G HA2 0.360 5.458 3.960 1.897 0.000 0.305 286 G HA3 0.360 5.458 3.960 1.897 0.000 0.305 286 G C -1.753 173.089 174.900 -0.097 0.000 1.367 286 G CA -0.262 44.752 45.100 -0.142 0.000 0.951 286 G HN 0.027 nan 8.290 nan 0.000 0.615 287 A N 0.320 123.142 122.820 0.004 0.000 2.294 287 A HA 0.713 6.171 4.320 1.897 0.000 0.316 287 A C 0.396 177.982 177.584 0.004 0.000 1.359 287 A CA -0.425 51.600 52.037 -0.019 0.000 0.956 287 A CB -0.217 18.779 19.000 -0.008 0.000 1.155 287 A HN 0.806 nan 8.150 nan 0.000 0.544 288 I N 2.720 123.267 120.570 -0.039 0.000 2.471 288 I HA 0.118 5.426 4.170 1.897 0.000 0.286 288 I C 0.188 176.290 176.117 -0.024 0.000 1.079 288 I CA -0.163 61.119 61.300 -0.030 0.000 1.398 288 I CB 0.735 38.680 38.000 -0.092 0.000 1.403 288 I HN 0.610 nan 8.210 nan 0.000 0.530 289 N N 4.768 123.463 118.700 -0.008 0.000 2.448 289 N HA 0.506 6.384 4.740 1.897 0.000 0.279 289 N C -0.861 174.647 175.510 -0.003 0.000 1.025 289 N CA -0.167 52.879 53.050 -0.008 0.000 0.898 289 N CB 1.625 40.109 38.487 -0.005 0.000 1.303 289 N HN 0.769 nan 8.380 nan 0.000 0.495 290 T N 0.016 114.568 114.554 -0.003 0.000 2.658 290 T HA 0.431 5.919 4.350 1.897 0.000 0.305 290 T C -0.330 174.367 174.700 -0.005 0.000 1.551 290 T CA 0.122 62.224 62.100 0.002 0.000 0.985 290 T CB 0.269 69.147 68.868 0.016 0.000 1.731 290 T HN 0.446 nan 8.240 nan 0.000 0.486 291 T N -0.206 114.346 114.554 -0.004 0.000 3.131 291 T HA 0.398 5.886 4.350 1.897 0.000 0.283 291 T C 0.749 175.436 174.700 -0.021 0.000 0.906 291 T CA -0.311 61.779 62.100 -0.016 0.000 0.882 291 T CB -0.368 68.493 68.868 -0.012 0.000 1.208 291 T HN 0.529 nan 8.240 nan 0.000 0.561 292 L N 1.897 123.121 121.223 0.002 0.000 2.492 292 L HA 0.209 5.687 4.340 1.897 0.000 0.280 292 L C -1.379 175.459 176.870 -0.053 0.000 1.240 292 L CA -1.457 53.393 54.840 0.016 0.000 0.831 292 L CB 0.306 42.407 42.059 0.069 0.000 1.100 292 L HN -0.013 nan 8.230 nan 0.000 0.505 293 P HA 0.072 nan 4.420 nan 0.000 0.235 293 P C -0.436 176.375 177.300 -0.815 0.000 1.177 293 P CA 0.960 63.774 63.100 -0.477 0.000 0.785 293 P CB 0.318 31.680 31.700 -0.564 0.000 0.885 294 F N -1.198 118.711 119.950 -0.068 0.000 2.782 294 F HA 0.587 6.252 4.527 1.895 0.000 0.366 294 F C 0.845 176.661 175.800 0.027 0.000 1.171 294 F CA -0.703 57.243 58.000 -0.090 0.000 1.064 294 F CB 1.016 39.969 39.000 -0.078 0.000 1.449 294 F HN -0.143 nan 8.300 nan 0.000 0.520 295 H N -0.652 118.534 119.070 0.194 0.000 2.883 295 H HA 0.253 5.946 4.556 1.895 0.000 0.266 295 H C -2.070 173.313 175.328 0.091 0.000 1.446 295 H CA -0.768 55.353 56.048 0.123 0.000 1.179 295 H CB 1.121 30.948 29.762 0.109 0.000 1.806 295 H HN 0.626 nan 8.280 nan 0.000 0.467 296 N N 1.194 120.238 118.700 0.574 0.000 2.498 296 N HA 0.098 5.976 4.740 1.897 0.000 0.272 296 N C 0.032 175.801 175.510 0.431 0.000 1.534 296 N CA -0.211 53.096 53.050 0.428 0.000 0.873 296 N CB -0.331 38.199 38.487 0.070 0.000 1.415 296 N HN 0.570 nan 8.380 nan 0.000 0.496 297 I N 0.047 120.837 120.570 0.366 0.000 2.087 297 I HA -0.036 5.272 4.170 1.897 0.000 0.231 297 I C 0.436 176.671 176.117 0.197 0.000 1.058 297 I CA 1.032 62.425 61.300 0.155 0.000 1.328 297 I CB -0.292 37.653 38.000 -0.092 0.000 1.079 297 I HN 0.247 nan 8.210 nan 0.000 0.397 298 H N 0.085 119.180 119.070 0.043 0.000 2.894 298 H HA 0.217 5.909 4.556 1.892 0.000 0.367 298 H C -2.049 173.085 175.328 -0.323 0.000 1.144 298 H CA -1.392 54.587 56.048 -0.115 0.000 1.180 298 H CB 2.880 32.551 29.762 -0.150 0.000 1.758 298 H HN -0.148 nan 8.280 nan 0.000 0.541 299 P HA 0.023 nan 4.420 nan 0.000 0.221 299 P C 0.735 177.891 177.300 -0.240 0.000 1.155 299 P CA 0.580 63.123 63.100 -0.928 0.000 0.812 299 P CB 0.615 31.773 31.700 -0.904 0.000 0.801 300 L N 1.204 122.425 121.223 -0.003 0.000 2.416 300 L HA 0.102 5.580 4.340 1.897 0.000 0.243 300 L C 0.809 177.650 176.870 -0.049 0.000 1.373 300 L CA -0.222 54.627 54.840 0.015 0.000 1.227 300 L CB -1.401 40.698 42.059 0.066 0.000 1.428 300 L HN 0.089 nan 8.230 nan 0.000 0.425 301 T N -1.300 113.211 114.554 -0.072 0.000 2.922 301 T HA 0.602 6.090 4.350 1.897 0.000 0.285 301 T C -0.135 174.445 174.700 -0.201 0.000 1.005 301 T CA -0.554 61.476 62.100 -0.116 0.000 1.061 301 T CB 1.968 70.805 68.868 -0.052 0.000 1.007 301 T HN 0.198 nan 8.240 nan 0.000 0.502 302 I N 2.414 122.808 120.570 -0.294 0.000 2.439 302 I HA 0.621 5.929 4.170 1.897 0.000 0.283 302 I C 0.750 176.487 176.117 -0.632 0.000 1.023 302 I CA -0.346 60.689 61.300 -0.440 0.000 1.100 302 I CB 0.924 38.690 38.000 -0.391 0.000 1.238 302 I HN 1.239 nan 8.210 nan 0.000 0.445 303 G N 4.993 113.189 108.800 -1.007 0.000 2.331 303 G HA2 -0.095 5.003 3.960 1.897 0.000 0.479 303 G HA3 -0.095 5.003 3.960 1.897 0.000 0.479 303 G C -0.867 173.731 174.900 -0.503 0.000 1.262 303 G CA -0.958 43.494 45.100 -1.079 0.000 1.029 303 G HN 0.574 nan 8.290 nan 0.000 0.487 304 E N 0.236 120.316 120.200 -0.200 0.000 1.939 304 E HA 0.368 5.856 4.350 1.897 0.000 0.259 304 E C -0.024 176.517 176.600 -0.098 0.000 1.259 304 E CA 0.126 56.471 56.400 -0.091 0.000 0.971 304 E CB -0.107 29.594 29.700 0.002 0.000 1.055 304 E HN 0.563 nan 8.360 nan 0.000 0.420 305 c N 3.598 122.130 118.600 -0.112 0.000 2.667 305 c HA 0.480 6.188 4.570 1.897 0.000 0.323 305 c C -2.093 171.956 174.090 -0.068 0.000 1.214 305 c CA -1.911 54.387 56.329 -0.052 0.000 1.721 305 c CB 1.203 43.715 42.510 0.003 0.000 2.275 305 c HN 0.532 nan 8.230 nan 0.000 0.491 306 P HA 0.205 nan 4.420 nan 0.000 0.272 306 P C -0.523 176.650 177.300 -0.212 0.000 1.230 306 P CA -0.242 62.789 63.100 -0.115 0.000 0.788 306 P CB 0.459 32.163 31.700 0.006 0.000 0.949 307 K N 1.051 121.188 120.400 -0.439 0.000 2.380 307 K HA 0.073 5.531 4.320 1.897 0.000 0.267 307 K C -0.791 175.557 176.600 -0.420 0.000 0.990 307 K CA 0.144 56.145 56.287 -0.476 0.000 0.946 307 K CB -0.371 31.670 32.500 -0.766 0.000 0.937 307 K HN 0.411 nan 8.250 nan 0.000 0.491 308 Y N 3.497 123.526 120.300 -0.451 0.000 2.369 308 Y HA 0.438 6.129 4.550 1.901 0.000 0.337 308 Y C -0.772 175.086 175.900 -0.070 0.000 0.961 308 Y CA -0.914 56.916 58.100 -0.450 0.000 1.186 308 Y CB 0.626 38.886 38.460 -0.334 0.000 1.139 308 Y HN 0.250 nan 8.280 nan 0.000 0.494 309 V N 3.448 123.084 119.914 -0.465 0.000 2.715 309 V HA 0.520 5.778 4.120 1.897 0.000 0.310 309 V C 0.000 175.796 176.094 -0.497 0.000 1.054 309 V CA -1.228 60.899 62.300 -0.289 0.000 0.928 309 V CB 2.043 33.822 31.823 -0.072 0.000 1.007 309 V HN 0.792 nan 8.190 nan 0.000 0.437 310 K N 1.983 122.201 120.400 -0.303 0.000 2.862 310 K HA 0.270 5.728 4.320 1.897 0.000 0.229 310 K C 0.309 176.825 176.600 -0.140 0.000 1.107 310 K CA 0.143 56.283 56.287 -0.245 0.000 1.222 310 K CB -0.147 32.293 32.500 -0.100 0.000 1.067 310 K HN 0.991 nan 8.250 nan 0.000 0.464 311 S N -0.993 114.617 115.700 -0.151 0.000 2.509 311 S HA 0.213 5.821 4.470 1.897 0.000 0.297 311 S C 0.683 175.239 174.600 -0.074 0.000 1.118 311 S CA -0.901 57.237 58.200 -0.102 0.000 1.074 311 S CB 2.073 65.200 63.200 -0.122 0.000 1.038 311 S HN 0.160 nan 8.310 nan 0.000 0.498 312 E N 1.764 121.935 120.200 -0.048 0.000 2.007 312 E HA -0.089 5.399 4.350 1.897 0.000 0.194 312 E C 0.732 177.319 176.600 -0.022 0.000 0.999 312 E CA 1.325 57.709 56.400 -0.025 0.000 0.811 312 E CB 0.108 29.797 29.700 -0.019 0.000 0.762 312 E HN 0.823 nan 8.360 nan 0.000 0.450 313 R N -0.085 120.395 120.500 -0.033 0.000 2.513 313 R HA 0.406 5.884 4.340 1.897 0.000 0.301 313 R C -1.006 175.267 176.300 -0.046 0.000 0.968 313 R CA -0.468 55.615 56.100 -0.027 0.000 0.872 313 R CB 0.769 31.057 30.300 -0.019 0.000 1.177 313 R HN 0.005 nan 8.270 nan 0.000 0.444 314 L N 4.829 126.028 121.223 -0.040 0.000 2.426 314 L HA 0.272 5.750 4.340 1.897 0.000 0.255 314 L C -0.115 176.740 176.870 -0.025 0.000 1.080 314 L CA -1.046 53.760 54.840 -0.057 0.000 0.960 314 L CB 1.512 43.523 42.059 -0.080 0.000 1.326 314 L HN 0.551 nan 8.230 nan 0.000 0.441 315 V N 0.534 120.434 119.914 -0.024 0.000 2.385 315 V HA 0.294 5.552 4.120 1.897 0.000 0.269 315 V C 0.681 176.770 176.094 -0.008 0.000 1.043 315 V CA -0.443 61.852 62.300 -0.007 0.000 0.906 315 V CB 1.844 33.662 31.823 -0.007 0.000 0.995 315 V HN 0.592 nan 8.190 nan 0.000 0.467 316 L N 3.944 125.174 121.223 0.010 0.000 2.511 316 L HA 0.838 6.315 4.340 1.897 0.000 0.184 316 L C 0.730 177.614 176.870 0.023 0.000 1.382 316 L CA 0.352 55.201 54.840 0.015 0.000 3.034 316 L CB 0.668 42.746 42.059 0.032 0.000 2.913 316 L HN 0.941 nan 8.230 nan 0.000 1.071 317 A N -1.011 121.837 122.820 0.047 0.000 2.573 317 A HA 0.417 5.875 4.320 1.897 0.000 0.312 317 A C -0.439 177.210 177.584 0.109 0.000 1.041 317 A CA 0.082 52.155 52.037 0.061 0.000 0.880 317 A CB 0.186 19.209 19.000 0.038 0.000 1.249 317 A HN 0.507 nan 8.150 nan 0.000 0.385 318 T N -0.882 113.768 114.554 0.160 0.000 3.516 318 T HA 0.626 6.114 4.350 1.897 0.000 0.300 318 T C 0.318 175.237 174.700 0.364 0.000 0.995 318 T CA 0.225 62.484 62.100 0.265 0.000 0.982 318 T CB 0.172 69.201 68.868 0.268 0.000 1.199 318 T HN 2.319 nan 8.240 nan 0.000 0.481 319 G N 1.842 110.700 108.800 0.096 0.000 2.498 319 G HA2 0.476 5.574 3.960 1.897 0.000 0.301 319 G HA3 0.476 5.574 3.960 1.897 0.000 0.301 319 G C -0.543 173.904 174.900 -0.756 0.000 1.577 319 G CA -0.923 43.927 45.100 -0.417 0.000 0.868 319 G HN 0.793 nan 8.290 nan 0.000 0.599 320 L N -0.191 120.064 121.223 -1.614 0.000 2.552 320 L HA 0.208 5.686 4.340 1.897 0.000 0.315 320 L C 0.987 177.583 176.870 -0.456 0.000 1.301 320 L CA -0.272 54.026 54.840 -0.903 0.000 0.840 320 L CB 0.071 41.634 42.059 -0.827 0.000 1.067 320 L HN 0.765 nan 8.230 nan 0.000 0.558 321 R N 0.838 121.135 120.500 -0.338 0.000 2.707 321 R HA 0.355 5.832 4.340 1.897 0.000 0.270 321 R C -0.507 175.663 176.300 -0.217 0.000 1.083 321 R CA -0.679 55.283 56.100 -0.231 0.000 1.182 321 R CB -0.004 30.191 30.300 -0.175 0.000 1.084 321 R HN 0.709 nan 8.270 nan 0.000 0.528 322 N N -0.167 118.453 118.700 -0.133 0.000 2.354 322 N HA 0.365 6.242 4.740 1.897 0.000 0.287 322 N C -1.518 173.968 175.510 -0.040 0.000 1.016 322 N CA -0.724 52.276 53.050 -0.082 0.000 0.871 322 N CB 2.067 40.506 38.487 -0.081 0.000 1.299 322 N HN 0.554 nan 8.380 nan 0.000 0.482 323 V N 0.702 120.618 119.914 0.004 0.000 4.911 323 V HA 0.357 5.615 4.120 1.897 0.000 0.659 323 V C -2.592 173.514 176.094 0.021 0.000 1.968 323 V CA -1.238 61.068 62.300 0.009 0.000 3.229 323 V CB -0.359 31.469 31.823 0.008 0.000 0.706 323 V HN 0.429 nan 8.190 nan 0.000 0.593 324 P HA 0.208 nan 4.420 nan 0.000 0.270 324 P C 0.162 177.461 177.300 -0.002 0.000 1.216 324 P CA 0.597 63.692 63.100 -0.008 0.000 0.788 324 P CB 0.602 32.288 31.700 -0.023 0.000 0.883 331 L N -0.097 121.104 121.223 -0.037 0.000 2.341 331 L HA 0.398 5.876 4.340 1.897 0.000 0.214 331 L C 1.933 178.565 176.870 -0.396 0.000 1.115 331 L CA 1.329 56.035 54.840 -0.223 0.000 0.820 331 L CB -0.505 41.375 42.059 -0.298 0.000 0.944 331 L HN 0.407 nan 8.230 nan 0.000 0.452 332 F N -1.184 118.744 119.950 -0.037 0.000 2.682 332 F HA 0.311 5.976 4.527 1.896 0.000 0.308 332 F C 1.777 177.580 175.800 0.004 0.000 1.093 332 F CA 0.613 58.601 58.000 -0.021 0.000 1.244 332 F CB 0.509 39.483 39.000 -0.042 0.000 1.052 332 F HN 0.155 nan 8.300 nan 0.000 0.573 333 G N 0.538 109.398 108.800 0.100 0.000 2.363 333 G HA2 -0.394 4.704 3.960 1.897 0.000 0.238 333 G HA3 -0.394 4.704 3.960 1.897 0.000 0.238 333 G C 1.418 176.291 174.900 -0.046 0.000 1.062 333 G CA 0.448 45.604 45.100 0.093 0.000 0.629 333 G HN 0.516 nan 8.290 nan 0.000 0.514 334 A N 1.071 123.803 122.820 -0.147 0.000 1.827 334 A HA 0.396 5.853 4.320 1.897 0.000 0.215 334 A C 1.434 178.781 177.584 -0.395 0.000 1.212 334 A CA 1.378 53.081 52.037 -0.557 0.000 0.624 334 A CB -0.549 18.262 19.000 -0.315 0.000 0.853 334 A HN 0.989 nan 8.150 nan 0.000 0.450 335 I N -0.467 119.955 120.570 -0.246 0.000 2.710 335 I HA 0.196 5.504 4.170 1.897 0.000 0.286 335 I C 1.367 177.394 176.117 -0.150 0.000 1.181 335 I CA 0.546 61.679 61.300 -0.279 0.000 1.430 335 I CB 0.257 37.877 38.000 -0.634 0.000 1.367 335 I HN 0.680 nan 8.210 nan 0.000 0.577 336 A N 4.327 127.144 122.820 -0.006 0.000 2.744 336 A HA -0.171 5.287 4.320 1.897 0.000 0.300 336 A C 0.836 178.392 177.584 -0.047 0.000 1.512 336 A CA 1.205 53.236 52.037 -0.012 0.000 0.851 336 A CB -2.030 16.942 19.000 -0.048 0.000 0.987 336 A HN 1.120 nan 8.150 nan 0.000 0.507 337 G N -1.493 107.255 108.800 -0.087 0.000 3.377 337 G HA2 0.518 5.615 3.960 1.897 0.000 0.182 337 G HA3 0.518 5.615 3.960 1.897 0.000 0.182 337 G C 0.633 175.486 174.900 -0.078 0.000 1.166 337 G CA 0.150 45.204 45.100 -0.078 0.000 0.771 337 G HN 1.122 nan 8.290 nan 0.000 0.701 338 F N 0.902 120.813 119.950 -0.065 0.000 2.202 338 F HA 0.266 5.931 4.527 1.897 0.000 0.301 338 F C 1.218 176.956 175.800 -0.103 0.000 1.082 338 F CA 0.394 58.335 58.000 -0.099 0.000 1.313 338 F CB -0.499 38.408 39.000 -0.156 0.000 1.024 338 F HN -0.045 nan 8.300 nan 0.000 0.495 339 I N 2.125 122.266 120.570 -0.716 0.000 2.227 339 I HA 0.025 5.333 4.170 1.897 0.000 0.297 339 I C 1.437 177.423 176.117 -0.218 0.000 1.173 339 I CA 0.128 61.181 61.300 -0.411 0.000 1.356 339 I CB -0.106 37.555 38.000 -0.565 0.000 1.485 339 I HN 0.296 nan 8.210 nan 0.000 0.604 340 E N 3.499 123.643 120.200 -0.094 0.000 2.197 340 E HA -0.191 5.297 4.350 1.897 0.000 0.205 340 E C 1.018 177.589 176.600 -0.048 0.000 1.029 340 E CA 1.365 57.738 56.400 -0.045 0.000 0.828 340 E CB 0.269 29.966 29.700 -0.004 0.000 0.737 340 E HN 0.837 nan 8.360 nan 0.000 0.464 341 G N -2.312 106.409 108.800 -0.131 0.000 2.663 341 G HA2 0.536 5.634 3.960 1.897 0.000 0.299 341 G HA3 0.536 5.634 3.960 1.897 0.000 0.299 341 G C -0.767 173.827 174.900 -0.510 0.000 1.372 341 G CA -0.458 44.551 45.100 -0.152 0.000 0.781 341 G HN 0.226 nan 8.290 nan 0.000 0.491 342 G N -1.729 106.860 108.800 -0.352 0.000 2.509 342 G HA2 0.531 5.629 3.960 1.897 0.000 0.328 342 G HA3 0.531 5.629 3.960 1.897 0.000 0.328 342 G C -1.282 173.498 174.900 -0.200 0.000 1.194 342 G CA -0.607 44.165 45.100 -0.546 0.000 0.967 342 G HN 0.396 nan 8.290 nan 0.000 0.488 343 W N 0.968 122.078 121.300 -0.317 0.000 2.322 343 W HA 0.385 6.183 4.660 1.897 0.000 0.321 343 W C 0.911 177.179 176.519 -0.418 0.000 0.991 343 W CA -1.356 55.754 57.345 -0.392 0.000 1.448 343 W CB 0.959 30.066 29.460 -0.589 0.000 1.239 343 W HN 0.728 nan 8.180 nan 0.000 0.399 344 Q N 2.138 121.877 119.800 -0.103 0.000 2.242 344 Q HA -0.186 5.292 4.340 1.897 0.000 0.211 344 Q C 2.235 178.116 176.000 -0.199 0.000 0.992 344 Q CA 2.724 58.437 55.803 -0.151 0.000 0.889 344 Q CB -0.208 28.480 28.738 -0.082 0.000 0.913 344 Q HN 0.660 nan 8.270 nan 0.000 0.422 345 G N -0.119 108.503 108.800 -0.297 0.000 2.418 345 G HA2 -0.213 4.885 3.960 1.897 0.000 0.217 345 G HA3 -0.213 4.885 3.960 1.897 0.000 0.217 345 G C 0.594 175.262 174.900 -0.388 0.000 1.158 345 G CA 0.473 45.346 45.100 -0.380 0.000 0.771 345 G HN 0.411 nan 8.290 nan 0.000 0.545 346 M N 1.629 120.935 119.600 -0.491 0.000 2.146 346 M HA 0.388 6.005 4.480 1.897 0.000 0.352 346 M C -0.050 176.270 176.300 0.035 0.000 1.343 346 M CA -0.214 55.018 55.300 -0.113 0.000 1.115 346 M CB 1.218 33.879 32.600 0.101 0.000 1.657 346 M HN 0.040 nan 8.290 nan 0.000 0.471 347 V N 1.710 121.715 119.914 0.151 0.000 3.098 347 V HA 0.340 5.598 4.120 1.897 0.000 0.416 347 V C -0.557 175.640 176.094 0.172 0.000 1.449 347 V CA -0.405 62.053 62.300 0.263 0.000 1.486 347 V CB -0.218 31.688 31.823 0.139 0.000 1.277 347 V HN 0.902 nan 8.190 nan 0.000 0.623 348 D N -0.401 120.077 120.400 0.131 0.000 2.556 348 D HA 0.526 6.304 4.640 1.897 0.000 0.237 348 D C 0.620 176.891 176.300 -0.048 0.000 1.296 348 D CA 0.681 54.700 54.000 0.033 0.000 0.807 348 D CB 1.742 42.581 40.800 0.064 0.000 1.084 348 D HN 0.807 nan 8.370 nan 0.000 0.510 349 G N -0.610 108.134 108.800 -0.092 0.000 2.342 349 G HA2 0.180 5.278 3.960 1.897 0.000 0.297 349 G HA3 0.180 5.278 3.960 1.897 0.000 0.297 349 G C -1.084 173.662 174.900 -0.256 0.000 1.313 349 G CA -0.708 44.254 45.100 -0.229 0.000 0.830 349 G HN -0.063 nan 8.290 nan 0.000 0.506 350 W N -0.476 120.571 121.300 -0.422 0.000 2.588 350 W HA 0.347 6.145 4.660 1.896 0.000 0.277 350 W C -0.070 176.211 176.519 -0.398 0.000 1.221 350 W CA 0.452 57.459 57.345 -0.563 0.000 1.355 350 W CB -0.146 28.698 29.460 -1.026 0.000 1.083 350 W HN 0.364 nan 8.180 nan 0.000 0.581 351 Y N -0.515 119.930 120.300 0.241 0.000 2.462 351 Y HA 0.726 6.414 4.550 1.896 0.000 0.346 351 Y C 0.636 176.542 175.900 0.010 0.000 0.976 351 Y CA -1.477 56.672 58.100 0.082 0.000 1.044 351 Y CB 1.229 39.703 38.460 0.024 0.000 1.230 351 Y HN -0.117 nan 8.280 nan 0.000 0.455 352 G N 0.293 109.139 108.800 0.077 0.000 2.554 352 G HA2 0.522 5.619 3.960 1.897 0.000 0.306 352 G HA3 0.522 5.619 3.960 1.897 0.000 0.306 352 G C -2.243 172.681 174.900 0.040 0.000 1.320 352 G CA -0.897 44.200 45.100 -0.004 0.000 0.800 352 G HN 0.399 nan 8.290 nan 0.000 0.481 353 Y N -0.746 119.885 120.300 0.552 0.000 2.631 353 Y HA 0.791 6.479 4.550 1.897 0.000 0.328 353 Y C 0.277 176.567 175.900 0.651 0.000 1.118 353 Y CA -0.772 57.675 58.100 0.579 0.000 1.206 353 Y CB 2.061 40.718 38.460 0.328 0.000 1.337 353 Y HN 0.646 nan 8.280 nan 0.000 0.515 354 H N 1.017 120.398 119.070 0.517 0.000 3.287 354 H HA 0.246 5.940 4.556 1.897 0.000 0.329 354 H C -1.854 173.560 175.328 0.144 0.000 1.130 354 H CA -0.667 55.453 56.048 0.119 0.000 1.593 354 H CB 0.532 30.014 29.762 -0.467 0.000 1.916 354 H HN 1.036 nan 8.280 nan 0.000 0.503 355 H N 1.844 120.732 119.070 -0.304 0.000 2.457 355 H HA 0.544 6.238 4.556 1.896 0.000 0.335 355 H C -0.772 174.325 175.328 -0.385 0.000 1.115 355 H CA -1.054 54.835 56.048 -0.266 0.000 1.219 355 H CB 1.655 31.352 29.762 -0.108 0.000 1.471 355 H HN 0.181 nan 8.280 nan 0.000 0.491 356 S N 2.987 118.514 115.700 -0.287 0.000 2.466 356 S HA 0.138 5.746 4.470 1.897 0.000 0.313 356 S C -0.238 174.280 174.600 -0.137 0.000 1.078 356 S CA -0.641 57.406 58.200 -0.256 0.000 1.115 356 S CB -0.221 62.867 63.200 -0.187 0.000 1.006 356 S HN 0.662 nan 8.310 nan 0.000 0.487 357 N N 1.185 119.799 118.700 -0.143 0.000 2.741 357 N HA 0.328 6.205 4.740 1.897 0.000 0.310 357 N C 0.423 175.892 175.510 -0.067 0.000 1.295 357 N CA -0.876 52.129 53.050 -0.075 0.000 0.893 357 N CB 0.769 39.255 38.487 -0.002 0.000 1.247 357 N HN 0.156 nan 8.380 nan 0.000 0.596 358 D N -0.015 120.358 120.400 -0.046 0.000 2.351 358 D HA -0.079 5.699 4.640 1.897 0.000 0.216 358 D C -0.331 175.948 176.300 -0.036 0.000 0.968 358 D CA 1.298 55.278 54.000 -0.033 0.000 0.899 358 D CB 0.111 40.898 40.800 -0.020 0.000 0.907 358 D HN 0.436 nan 8.370 nan 0.000 0.514 359 Q N -0.636 119.138 119.800 -0.044 0.000 2.616 359 Q HA 0.476 5.954 4.340 1.897 0.000 0.250 359 Q C 0.911 176.859 176.000 -0.086 0.000 0.991 359 Q CA -0.333 55.443 55.803 -0.045 0.000 0.707 359 Q CB 1.762 30.489 28.738 -0.019 0.000 1.247 359 Q HN 0.021 nan 8.270 nan 0.000 0.491 360 G N 2.082 110.823 108.800 -0.098 0.000 2.685 360 G HA2 -0.409 4.689 3.960 1.897 0.000 0.357 360 G HA3 -0.409 4.689 3.960 1.897 0.000 0.357 360 G C -0.135 174.620 174.900 -0.242 0.000 1.272 360 G CA 0.084 45.104 45.100 -0.134 0.000 0.972 360 G HN 0.980 nan 8.290 nan 0.000 0.550 361 S N -1.882 113.664 115.700 -0.256 0.000 3.294 361 S HA 0.464 6.072 4.470 1.897 0.000 0.853 361 S C 0.521 174.901 174.600 -0.367 0.000 1.111 361 S CA 1.292 59.246 58.200 -0.411 0.000 1.104 361 S CB -1.126 61.480 63.200 -0.991 0.000 0.765 361 S HN 3.051 nan 8.310 nan 0.000 0.265 362 G N 1.294 109.898 108.800 -0.326 0.000 2.760 362 G HA2 0.335 5.433 3.960 1.897 0.000 0.540 362 G HA3 0.335 5.433 3.960 1.897 0.000 0.540 362 G C -1.589 173.228 174.900 -0.138 0.000 1.476 362 G CA -0.993 43.955 45.100 -0.254 0.000 0.949 362 G HN 0.798 nan 8.290 nan 0.000 0.633 363 Y N 0.254 120.621 120.300 0.112 0.000 2.387 363 Y HA 0.782 6.470 4.550 1.897 0.000 0.336 363 Y C 0.670 176.707 175.900 0.229 0.000 1.067 363 Y CA -0.086 58.105 58.100 0.152 0.000 1.114 363 Y CB 2.537 41.023 38.460 0.044 0.000 1.208 363 Y HN 1.236 nan 8.280 nan 0.000 0.458 364 A N 1.745 124.862 122.820 0.496 0.000 2.466 364 A HA 0.763 6.221 4.320 1.897 0.000 0.284 364 A C -0.958 176.867 177.584 0.402 0.000 1.049 364 A CA -0.575 51.695 52.037 0.389 0.000 0.760 364 A CB 0.235 19.443 19.000 0.347 0.000 1.274 364 A HN 0.880 nan 8.150 nan 0.000 0.412 365 A N 1.867 124.863 122.820 0.293 0.000 2.425 365 A HA 0.497 5.955 4.320 1.897 0.000 0.249 365 A C 0.100 177.813 177.584 0.215 0.000 1.084 365 A CA -0.049 52.124 52.037 0.227 0.000 0.781 365 A CB 0.119 19.208 19.000 0.148 0.000 1.019 365 A HN 0.779 nan 8.150 nan 0.000 0.490 366 D N 1.994 122.497 120.400 0.172 0.000 2.470 366 D HA 0.111 5.889 4.640 1.897 0.000 0.226 366 D C 1.054 177.448 176.300 0.156 0.000 1.196 366 D CA 0.162 54.289 54.000 0.211 0.000 0.979 366 D CB 0.179 41.066 40.800 0.145 0.000 1.059 366 D HN 0.513 nan 8.370 nan 0.000 0.515 367 K N 2.012 122.487 120.400 0.125 0.000 2.152 367 K HA -0.221 5.236 4.320 1.897 0.000 0.206 367 K C 1.590 178.237 176.600 0.079 0.000 1.048 367 K CA 1.052 57.380 56.287 0.069 0.000 0.933 367 K CB 0.197 32.725 32.500 0.046 0.000 0.721 367 K HN 0.549 nan 8.250 nan 0.000 0.447 368 E N 1.027 121.290 120.200 0.104 0.000 2.038 368 E HA -0.209 5.279 4.350 1.897 0.000 0.195 368 E C 1.905 178.577 176.600 0.120 0.000 1.000 368 E CA 2.090 58.549 56.400 0.099 0.000 0.803 368 E CB -0.032 29.728 29.700 0.101 0.000 0.750 368 E HN 0.266 nan 8.360 nan 0.000 0.448 369 S N -1.022 114.773 115.700 0.159 0.000 2.461 369 S HA -0.043 5.565 4.470 1.897 0.000 0.228 369 S C 1.964 176.763 174.600 0.333 0.000 1.005 369 S CA 1.145 59.468 58.200 0.206 0.000 0.942 369 S CB -0.225 63.086 63.200 0.185 0.000 0.776 369 S HN 0.237 nan 8.310 nan 0.000 0.514 370 T N 1.818 116.519 114.554 0.244 0.000 2.951 370 T HA 0.042 5.530 4.350 1.897 0.000 0.268 370 T C 1.936 176.693 174.700 0.095 0.000 1.073 370 T CA 0.963 63.131 62.100 0.113 0.000 1.134 370 T CB -0.187 68.634 68.868 -0.078 0.000 0.884 370 T HN 0.331 nan 8.240 nan 0.000 0.479 371 Q N 1.230 121.079 119.800 0.082 0.000 2.020 371 Q HA 0.016 5.494 4.340 1.897 0.000 0.198 371 Q C 2.328 178.401 176.000 0.122 0.000 0.974 371 Q CA 1.168 57.007 55.803 0.060 0.000 0.829 371 Q CB -0.358 28.404 28.738 0.040 0.000 0.894 371 Q HN 0.463 nan 8.270 nan 0.000 0.433 372 K N 0.213 120.700 120.400 0.145 0.000 2.218 372 K HA -0.157 5.301 4.320 1.897 0.000 0.205 372 K C 1.768 178.520 176.600 0.254 0.000 1.046 372 K CA 1.208 57.594 56.287 0.165 0.000 0.933 372 K CB 0.042 32.626 32.500 0.139 0.000 0.728 372 K HN 0.140 nan 8.250 nan 0.000 0.454 373 A N 0.310 123.326 122.820 0.328 0.000 1.861 373 A HA 0.018 5.476 4.320 1.897 0.000 0.212 373 A C 2.537 180.432 177.584 0.518 0.000 1.199 373 A CA 1.273 53.596 52.037 0.478 0.000 0.613 373 A CB -1.204 18.145 19.000 0.580 0.000 0.846 373 A HN 0.370 nan 8.150 nan 0.000 0.446 374 F N 0.414 120.617 119.950 0.422 0.000 2.161 374 F HA -0.185 5.480 4.527 1.897 0.000 0.300 374 F C 2.046 177.939 175.800 0.153 0.000 1.089 374 F CA 2.200 60.334 58.000 0.224 0.000 1.282 374 F CB -1.127 37.822 39.000 -0.085 0.000 1.010 374 F HN 0.345 nan 8.300 nan 0.000 0.485 375 D N 0.028 120.509 120.400 0.135 0.000 2.084 375 D HA -0.018 5.760 4.640 1.897 0.000 0.196 375 D C 2.586 178.940 176.300 0.089 0.000 0.985 375 D CA 1.713 55.767 54.000 0.091 0.000 0.826 375 D CB -1.171 39.678 40.800 0.081 0.000 0.978 375 D HN 0.378 nan 8.370 nan 0.000 0.456 376 G N 1.372 110.245 108.800 0.122 0.000 2.453 376 G HA2 -0.195 4.903 3.960 1.897 0.000 0.215 376 G HA3 -0.195 4.903 3.960 1.897 0.000 0.215 376 G C 1.589 176.487 174.900 -0.003 0.000 1.201 376 G CA 0.295 45.419 45.100 0.039 0.000 0.784 376 G HN 0.166 nan 8.290 nan 0.000 0.545 377 I N 1.616 122.226 120.570 0.068 0.000 2.399 377 I HA -0.166 5.141 4.170 1.897 0.000 0.254 377 I C 2.810 178.970 176.117 0.071 0.000 1.146 377 I CA 1.509 62.849 61.300 0.066 0.000 1.412 377 I CB -1.399 36.728 38.000 0.213 0.000 1.076 377 I HN 0.123 nan 8.210 nan 0.000 0.432 378 T N 1.050 115.653 114.554 0.081 0.000 2.701 378 T HA -0.153 5.335 4.350 1.897 0.000 0.263 378 T C 1.655 176.370 174.700 0.025 0.000 1.040 378 T CA 1.825 63.957 62.100 0.053 0.000 1.147 378 T CB -0.277 68.617 68.868 0.042 0.000 0.865 378 T HN 0.331 nan 8.240 nan 0.000 0.426 379 N N 0.764 119.471 118.700 0.012 0.000 2.205 379 N HA -0.067 5.811 4.740 1.897 0.000 0.186 379 N C 1.694 177.196 175.510 -0.013 0.000 1.015 379 N CA 0.890 53.938 53.050 -0.003 0.000 0.862 379 N CB -0.133 38.347 38.487 -0.011 0.000 0.986 379 N HN 0.424 nan 8.380 nan 0.000 0.429 380 K N 0.766 121.148 120.400 -0.030 0.000 2.002 380 K HA -0.099 5.359 4.320 1.897 0.000 0.209 380 K C 1.613 178.213 176.600 0.001 0.000 1.048 380 K CA 1.158 57.425 56.287 -0.034 0.000 0.930 380 K CB -0.209 32.250 32.500 -0.069 0.000 0.714 380 K HN -0.049 nan 8.250 nan 0.000 0.438 381 V N 2.196 122.120 119.914 0.018 0.000 2.343 381 V HA -0.259 4.999 4.120 1.897 0.000 0.247 381 V C 1.989 178.102 176.094 0.030 0.000 1.051 381 V CA 2.045 64.365 62.300 0.034 0.000 1.036 381 V CB -0.710 31.140 31.823 0.045 0.000 0.654 381 V HN 0.430 nan 8.190 nan 0.000 0.451 382 N N 0.051 118.763 118.700 0.020 0.000 2.106 382 N HA -0.113 5.765 4.740 1.897 0.000 0.188 382 N C 2.136 177.653 175.510 0.012 0.000 1.029 382 N CA 1.695 54.754 53.050 0.014 0.000 0.848 382 N CB -0.613 37.879 38.487 0.009 0.000 1.007 382 N HN 0.344 nan 8.380 nan 0.000 0.423 383 S N 0.510 116.216 115.700 0.010 0.000 2.359 383 S HA -0.107 5.501 4.470 1.897 0.000 0.223 383 S C 2.207 176.823 174.600 0.027 0.000 1.039 383 S CA 1.000 59.208 58.200 0.012 0.000 1.042 383 S CB -0.511 62.693 63.200 0.007 0.000 0.915 383 S HN 0.092 nan 8.310 nan 0.000 0.439 384 V N 1.598 121.537 119.914 0.041 0.000 2.370 384 V HA -0.225 5.033 4.120 1.897 0.000 0.252 384 V C 1.847 177.985 176.094 0.073 0.000 1.068 384 V CA 1.740 64.087 62.300 0.078 0.000 1.061 384 V CB -0.600 31.277 31.823 0.090 0.000 0.656 384 V HN 0.430 nan 8.190 nan 0.000 0.455 385 I N -0.913 119.679 120.570 0.036 0.000 2.731 385 I HA -0.075 5.233 4.170 1.897 0.000 0.235 385 I C 2.340 178.433 176.117 -0.039 0.000 1.064 385 I CA 0.793 62.091 61.300 -0.004 0.000 1.439 385 I CB -0.567 37.437 38.000 0.006 0.000 1.255 385 I HN 0.168 nan 8.210 nan 0.000 0.446 386 E N 1.294 121.481 120.200 -0.022 0.000 2.339 386 E HA -0.233 5.255 4.350 1.897 0.000 0.201 386 E C 1.679 178.259 176.600 -0.032 0.000 1.015 386 E CA 0.990 57.373 56.400 -0.028 0.000 0.841 386 E CB -0.055 29.637 29.700 -0.014 0.000 0.754 386 E HN 0.386 nan 8.360 nan 0.000 0.508 387 K N 0.018 120.404 120.400 -0.025 0.000 2.379 387 K HA 0.068 5.526 4.320 1.897 0.000 0.194 387 K C 0.611 177.188 176.600 -0.037 0.000 1.031 387 K CA -0.204 56.074 56.287 -0.015 0.000 1.037 387 K CB 0.104 32.612 32.500 0.013 0.000 0.824 387 K HN 0.072 nan 8.250 nan 0.000 0.516 388 M N 2.220 121.762 119.600 -0.097 0.000 2.260 388 M HA -0.048 5.570 4.480 1.897 0.000 0.348 388 M C -0.158 176.039 176.300 -0.171 0.000 1.342 388 M CA 0.553 55.733 55.300 -0.201 0.000 1.040 388 M CB -0.075 32.307 32.600 -0.364 0.000 1.810 388 M HN -0.002 nan 8.290 nan 0.000 0.453 389 N N 2.107 120.708 118.700 -0.165 0.000 2.499 389 N HA 0.344 6.222 4.740 1.897 0.000 0.281 389 N C -1.358 174.048 175.510 -0.174 0.000 1.098 389 N CA -0.237 52.741 53.050 -0.121 0.000 0.979 389 N CB 0.700 39.154 38.487 -0.056 0.000 1.121 389 N HN 0.725 nan 8.380 nan 0.000 0.466 390 T N 1.813 116.293 114.554 -0.124 0.000 3.031 390 T HA 0.268 5.755 4.350 1.897 0.000 0.305 390 T C -1.197 173.463 174.700 -0.067 0.000 0.985 390 T CA -0.530 61.495 62.100 -0.125 0.000 1.008 390 T CB 0.941 69.731 68.868 -0.129 0.000 1.005 390 T HN 0.557 nan 8.240 nan 0.000 0.444 391 Q N 2.428 122.193 119.800 -0.057 0.000 2.572 391 Q HA 0.581 6.059 4.340 1.897 0.000 0.284 391 Q C -1.089 174.929 176.000 0.031 0.000 1.091 391 Q CA -1.063 54.744 55.803 0.005 0.000 0.840 391 Q CB 1.986 30.733 28.738 0.015 0.000 1.433 391 Q HN 0.708 nan 8.270 nan 0.000 0.471 392 F N 0.623 120.545 119.950 -0.047 0.000 2.412 392 F HA 0.490 6.154 4.527 1.895 0.000 0.348 392 F C -0.217 175.560 175.800 -0.039 0.000 1.102 392 F CA 0.395 58.367 58.000 -0.046 0.000 1.196 392 F CB 0.532 39.508 39.000 -0.040 0.000 1.144 392 F HN 0.635 nan 8.300 nan 0.000 0.541 393 E N 3.638 123.500 120.200 -0.563 0.000 2.381 393 E HA 0.660 6.148 4.350 1.897 0.000 0.286 393 E C -2.014 174.337 176.600 -0.416 0.000 0.960 393 E CA -0.556 55.682 56.400 -0.270 0.000 0.793 393 E CB 0.880 30.499 29.700 -0.134 0.000 1.225 393 E HN 1.106 nan 8.360 nan 0.000 0.420 394 A N 1.183 123.906 122.820 -0.162 0.000 2.292 394 A HA 0.679 6.137 4.320 1.897 0.000 0.319 394 A C 0.898 178.454 177.584 -0.046 0.000 1.206 394 A CA -0.050 51.916 52.037 -0.117 0.000 0.835 394 A CB 1.053 20.050 19.000 -0.005 0.000 1.164 394 A HN 1.116 nan 8.150 nan 0.000 0.505 395 V N 2.579 122.460 119.914 -0.055 0.000 2.685 395 V HA 0.111 5.369 4.120 1.897 0.000 0.244 395 V C 1.570 177.676 176.094 0.020 0.000 1.054 395 V CA 1.361 63.653 62.300 -0.014 0.000 1.076 395 V CB -0.580 31.226 31.823 -0.027 0.000 0.725 395 V HN 0.931 nan 8.190 nan 0.000 0.467 396 G N 2.487 111.291 108.800 0.006 0.000 2.339 396 G HA2 0.497 5.595 3.960 1.897 0.000 0.287 396 G HA3 0.497 5.595 3.960 1.897 0.000 0.287 396 G C -0.264 174.635 174.900 -0.001 0.000 1.163 396 G CA -0.323 44.789 45.100 0.019 0.000 0.872 396 G HN 0.357 nan 8.290 nan 0.000 0.464 397 K N 1.634 122.023 120.400 -0.018 0.000 2.316 397 K HA 0.636 6.094 4.320 1.897 0.000 0.234 397 K C -0.933 175.488 176.600 -0.297 0.000 1.054 397 K CA -0.930 55.260 56.287 -0.162 0.000 0.879 397 K CB 1.968 34.324 32.500 -0.240 0.000 1.252 397 K HN 0.342 nan 8.250 nan 0.000 0.471 398 E N 0.620 120.528 120.200 -0.486 0.000 2.195 398 E HA 0.498 5.986 4.350 1.897 0.000 0.271 398 E C -1.047 175.129 176.600 -0.707 0.000 0.923 398 E CA -0.617 55.543 56.400 -0.400 0.000 0.790 398 E CB 1.227 30.790 29.700 -0.228 0.000 1.155 398 E HN 0.384 nan 8.360 nan 0.000 0.402 399 F N 0.119 120.084 119.950 0.025 0.000 2.578 399 F HA 0.212 4.754 4.527 0.026 0.000 0.311 399 F C 0.870 176.699 175.800 0.048 0.000 1.094 399 F CA -0.931 57.089 58.000 0.034 0.000 0.923 399 F CB 1.690 40.706 39.000 0.027 0.000 1.230 399 F HN 0.313 nan 8.300 nan 0.000 0.450 400 S N 0.514 116.354 115.700 0.234 0.000 2.617 400 S HA 0.097 5.705 4.470 1.897 0.000 0.259 400 S C 0.871 175.555 174.600 0.141 0.000 1.301 400 S CA -0.253 58.046 58.200 0.166 0.000 0.984 400 S CB 0.638 63.926 63.200 0.147 0.000 0.954 400 S HN 0.705 nan 8.310 nan 0.000 0.572 401 N N -0.477 118.283 118.700 0.100 0.000 2.381 401 N HA 0.050 5.928 4.740 1.897 0.000 0.182 401 N C 0.750 176.295 175.510 0.059 0.000 1.025 401 N CA 0.684 53.778 53.050 0.072 0.000 0.888 401 N CB -0.401 38.118 38.487 0.054 0.000 0.965 401 N HN 0.547 nan 8.380 nan 0.000 0.438 402 L N 0.567 121.830 121.223 0.067 0.000 2.791 402 L HA 0.253 5.731 4.340 1.897 0.000 0.239 402 L C -0.007 176.896 176.870 0.056 0.000 1.203 402 L CA 0.555 55.426 54.840 0.051 0.000 1.002 402 L CB -0.317 41.772 42.059 0.049 0.000 1.295 402 L HN 0.191 nan 8.230 nan 0.000 0.504 403 E N -1.101 119.141 120.200 0.071 0.000 2.887 403 E HA 0.035 5.522 4.350 1.897 0.000 0.206 403 E C 0.920 177.508 176.600 -0.021 0.000 0.983 403 E CA -0.263 56.178 56.400 0.067 0.000 1.141 403 E CB 0.809 30.622 29.700 0.189 0.000 1.061 403 E HN -0.061 nan 8.360 nan 0.000 0.468 404 K N 1.346 121.733 120.400 -0.023 0.000 2.020 404 K HA -0.141 5.317 4.320 1.897 0.000 0.212 404 K C 1.840 178.365 176.600 -0.125 0.000 1.050 404 K CA 1.457 57.706 56.287 -0.064 0.000 0.929 404 K CB -0.119 32.363 32.500 -0.030 0.000 0.714 404 K HN 0.102 nan 8.250 nan 0.000 0.443 405 R N -0.129 120.316 120.500 -0.092 0.000 2.080 405 R HA -0.148 5.330 4.340 1.897 0.000 0.236 405 R C 2.268 178.471 176.300 -0.162 0.000 1.137 405 R CA 1.554 57.594 56.100 -0.100 0.000 0.943 405 R CB -0.696 29.569 30.300 -0.058 0.000 0.846 405 R HN 0.121 nan 8.270 nan 0.000 0.431 406 L N 1.584 122.701 121.223 -0.176 0.000 2.042 406 L HA -0.220 5.258 4.340 1.897 0.000 0.210 406 L C 2.228 178.717 176.870 -0.634 0.000 1.076 406 L CA 1.966 56.657 54.840 -0.247 0.000 0.749 406 L CB -0.583 41.418 42.059 -0.097 0.000 0.893 406 L HN 0.236 nan 8.230 nan 0.000 0.432 407 E N -0.919 118.703 120.200 -0.963 0.000 2.110 407 E HA -0.293 5.195 4.350 1.897 0.000 0.193 407 E C 1.934 178.201 176.600 -0.554 0.000 0.988 407 E CA 1.422 56.995 56.400 -1.379 0.000 0.804 407 E CB -0.163 29.054 29.700 -0.804 0.000 0.745 407 E HN 0.659 nan 8.360 nan 0.000 0.458 408 N N 0.093 118.600 118.700 -0.321 0.000 2.171 408 N HA -0.138 5.740 4.740 1.897 0.000 0.184 408 N C 1.908 177.338 175.510 -0.134 0.000 1.021 408 N CA 0.695 53.645 53.050 -0.168 0.000 0.854 408 N CB -0.177 38.241 38.487 -0.115 0.000 0.994 408 N HN 0.171 nan 8.380 nan 0.000 0.426 409 L N 1.001 122.136 121.223 -0.147 0.000 2.043 409 L HA -0.168 5.310 4.340 1.897 0.000 0.212 409 L C 1.801 178.635 176.870 -0.061 0.000 1.075 409 L CA 1.862 56.647 54.840 -0.091 0.000 0.752 409 L CB -0.909 41.103 42.059 -0.078 0.000 0.891 409 L HN 0.385 nan 8.230 nan 0.000 0.432 410 N N -0.757 117.888 118.700 -0.091 0.000 2.270 410 N HA -0.243 5.635 4.740 1.897 0.000 0.181 410 N C 1.952 177.486 175.510 0.040 0.000 1.016 410 N CA 1.381 54.441 53.050 0.017 0.000 0.870 410 N CB -0.240 38.310 38.487 0.105 0.000 0.979 410 N HN 0.436 nan 8.380 nan 0.000 0.431 411 K N 0.958 121.351 120.400 -0.011 0.000 2.001 411 K HA -0.186 5.272 4.320 1.897 0.000 0.208 411 K C 2.047 178.657 176.600 0.016 0.000 1.048 411 K CA 1.260 57.557 56.287 0.018 0.000 0.932 411 K CB -0.234 32.262 32.500 -0.006 0.000 0.715 411 K HN 0.114 nan 8.250 nan 0.000 0.437 412 K N 0.552 120.943 120.400 -0.015 0.000 2.211 412 K HA -0.144 5.314 4.320 1.897 0.000 0.204 412 K C 2.178 178.759 176.600 -0.032 0.000 1.047 412 K CA 1.417 57.687 56.287 -0.027 0.000 0.935 412 K CB -0.078 32.394 32.500 -0.046 0.000 0.728 412 K HN 0.245 nan 8.250 nan 0.000 0.452 413 M N 0.430 120.027 119.600 -0.005 0.000 2.156 413 M HA -0.137 5.481 4.480 1.897 0.000 0.264 413 M C 1.374 177.734 176.300 0.100 0.000 1.067 413 M CA 1.580 56.882 55.300 0.004 0.000 1.131 413 M CB -0.052 32.599 32.600 0.084 0.000 1.368 413 M HN 0.167 nan 8.290 nan 0.000 0.416 414 E N 0.754 121.045 120.200 0.152 0.000 2.047 414 E HA -0.192 5.296 4.350 1.897 0.000 0.191 414 E C 1.626 178.339 176.600 0.189 0.000 0.987 414 E CA 1.379 57.909 56.400 0.217 0.000 0.799 414 E CB -0.556 29.239 29.700 0.159 0.000 0.752 414 E HN 0.549 nan 8.360 nan 0.000 0.449 415 D N 0.377 120.840 120.400 0.105 0.000 2.104 415 D HA -0.130 5.648 4.640 1.897 0.000 0.194 415 D C 1.985 178.310 176.300 0.042 0.000 0.994 415 D CA 1.505 55.553 54.000 0.080 0.000 0.830 415 D CB -0.757 40.065 40.800 0.036 0.000 0.959 415 D HN 0.298 nan 8.370 nan 0.000 0.452 416 G N 0.112 108.884 108.800 -0.047 0.000 2.529 416 G HA2 -0.297 4.801 3.960 1.897 0.000 0.219 416 G HA3 -0.297 4.801 3.960 1.897 0.000 0.219 416 G C 1.405 176.210 174.900 -0.159 0.000 1.177 416 G CA 0.579 45.573 45.100 -0.177 0.000 0.773 416 G HN 0.207 nan 8.290 nan 0.000 0.573 417 F N -0.006 119.982 119.950 0.064 0.000 2.325 417 F HA 0.159 5.821 4.527 1.891 0.000 0.299 417 F C 2.342 178.262 175.800 0.200 0.000 1.090 417 F CA 0.396 58.462 58.000 0.110 0.000 1.392 417 F CB -0.419 38.704 39.000 0.205 0.000 1.053 417 F HN 0.118 nan 8.300 nan 0.000 0.521 418 L N 0.079 121.506 121.223 0.339 0.000 2.056 418 L HA -0.160 5.318 4.340 1.897 0.000 0.207 418 L C 1.857 178.841 176.870 0.189 0.000 1.078 418 L CA 1.829 56.844 54.840 0.292 0.000 0.749 418 L CB -0.705 41.502 42.059 0.246 0.000 0.901 418 L HN -0.099 nan 8.230 nan 0.000 0.433 419 D N -0.951 119.511 120.400 0.103 0.000 2.144 419 D HA -0.152 5.626 4.640 1.897 0.000 0.199 419 D C 2.321 178.648 176.300 0.046 0.000 0.984 419 D CA 1.430 55.458 54.000 0.047 0.000 0.834 419 D CB -0.245 40.543 40.800 -0.021 0.000 0.955 419 D HN 0.254 nan 8.370 nan 0.000 0.465 420 V N -0.301 119.617 119.914 0.007 0.000 2.255 420 V HA -0.186 5.072 4.120 1.897 0.000 0.243 420 V C 2.037 178.113 176.094 -0.031 0.000 1.038 420 V CA 1.314 63.564 62.300 -0.084 0.000 1.008 420 V CB -0.647 31.038 31.823 -0.230 0.000 0.645 420 V HN 0.282 nan 8.190 nan 0.000 0.449 421 W N 0.125 121.533 121.300 0.179 0.000 2.421 421 W HA -0.154 5.641 4.660 1.893 0.000 0.270 421 W C 2.550 179.143 176.519 0.123 0.000 1.233 421 W CA 1.304 58.768 57.345 0.199 0.000 1.226 421 W CB -0.508 29.083 29.460 0.218 0.000 1.121 421 W HN 0.158 nan 8.180 nan 0.000 0.579 422 T N -0.600 114.110 114.554 0.260 0.000 2.668 422 T HA -0.258 5.230 4.350 1.897 0.000 0.258 422 T C 1.317 176.066 174.700 0.082 0.000 1.051 422 T CA 1.443 63.604 62.100 0.102 0.000 1.155 422 T CB -0.905 67.997 68.868 0.056 0.000 0.864 422 T HN 0.045 nan 8.240 nan 0.000 0.413 423 Y N 2.838 123.126 120.300 -0.020 0.000 1.967 423 Y HA -0.342 5.346 4.550 1.897 0.000 0.260 423 Y C 2.399 178.278 175.900 -0.035 0.000 1.181 423 Y CA 2.087 60.164 58.100 -0.039 0.000 1.097 423 Y CB -0.795 37.637 38.460 -0.047 0.000 0.934 423 Y HN 0.171 nan 8.280 nan 0.000 0.492 424 N N -0.112 118.674 118.700 0.143 0.000 2.049 424 N HA -0.280 5.598 4.740 1.897 0.000 0.198 424 N C 1.893 177.410 175.510 0.011 0.000 1.030 424 N CA 2.040 55.134 53.050 0.073 0.000 0.870 424 N CB -1.020 37.535 38.487 0.112 0.000 1.045 424 N HN 0.559 nan 8.380 nan 0.000 0.434 425 A N 0.308 123.113 122.820 -0.025 0.000 1.930 425 A HA -0.092 5.366 4.320 1.897 0.000 0.217 425 A C 2.200 179.607 177.584 -0.296 0.000 1.175 425 A CA 1.550 53.387 52.037 -0.334 0.000 0.627 425 A CB -0.564 17.759 19.000 -1.129 0.000 0.815 425 A HN 0.329 nan 8.150 nan 0.000 0.443 426 E N -0.129 119.926 120.200 -0.241 0.000 2.110 426 E HA -0.111 5.377 4.350 1.897 0.000 0.193 426 E C 1.893 178.361 176.600 -0.220 0.000 0.988 426 E CA 1.069 57.339 56.400 -0.218 0.000 0.804 426 E CB -0.155 29.435 29.700 -0.182 0.000 0.745 426 E HN 0.598 nan 8.360 nan 0.000 0.458 427 L N -0.248 120.811 121.223 -0.272 0.000 2.095 427 L HA -0.056 5.422 4.340 1.897 0.000 0.204 427 L C 2.422 179.205 176.870 -0.145 0.000 1.080 427 L CA 0.526 55.218 54.840 -0.247 0.000 0.759 427 L CB -0.460 41.391 42.059 -0.347 0.000 0.914 427 L HN 0.262 nan 8.230 nan 0.000 0.439 428 L N -0.325 120.833 121.223 -0.109 0.000 2.189 428 L HA -0.211 5.267 4.340 1.897 0.000 0.214 428 L C 2.243 179.081 176.870 -0.053 0.000 1.097 428 L CA 1.305 56.115 54.840 -0.049 0.000 0.764 428 L CB -0.178 41.888 42.059 0.011 0.000 0.900 428 L HN -0.069 nan 8.230 nan 0.000 0.436 429 V N -0.928 118.933 119.914 -0.087 0.000 2.302 429 V HA -0.232 5.026 4.120 1.897 0.000 0.243 429 V C 2.323 178.379 176.094 -0.064 0.000 1.036 429 V CA 1.577 63.833 62.300 -0.072 0.000 1.020 429 V CB -0.223 31.543 31.823 -0.095 0.000 0.657 429 V HN 0.350 nan 8.190 nan 0.000 0.453 430 L N -0.775 120.397 121.223 -0.084 0.000 1.933 430 L HA -0.176 5.302 4.340 1.897 0.000 0.220 430 L C 1.475 178.311 176.870 -0.056 0.000 1.078 430 L CA 1.503 56.299 54.840 -0.073 0.000 0.773 430 L CB -0.648 41.356 42.059 -0.092 0.000 0.890 430 L HN 0.309 nan 8.230 nan 0.000 0.434 431 M N -0.044 119.520 119.600 -0.061 0.000 2.243 431 M HA -0.108 5.510 4.480 1.897 0.000 0.309 431 M C 0.993 177.272 176.300 -0.035 0.000 1.050 431 M CA 0.589 55.864 55.300 -0.043 0.000 1.139 431 M CB 0.182 32.755 32.600 -0.044 0.000 1.457 431 M HN 0.234 nan 8.290 nan 0.000 0.440 432 E N -0.942 119.243 120.200 -0.026 0.000 4.278 432 E HA -0.216 5.272 4.350 1.897 0.000 0.339 432 E C 0.624 177.215 176.600 -0.015 0.000 0.624 432 E CA 1.705 58.090 56.400 -0.025 0.000 1.405 432 E CB -1.236 28.451 29.700 -0.022 0.000 1.797 432 E HN 0.846 nan 8.360 nan 0.000 0.400 433 N N 0.433 119.124 118.700 -0.014 0.000 2.349 433 N HA -0.029 5.849 4.740 1.897 0.000 0.180 433 N C 1.614 177.125 175.510 0.002 0.000 1.024 433 N CA 1.329 54.377 53.050 -0.004 0.000 0.869 433 N CB -0.198 38.280 38.487 -0.015 0.000 1.022 433 N HN 0.113 nan 8.380 nan 0.000 0.433 434 E N 0.407 120.602 120.200 -0.008 0.000 2.267 434 E HA -0.033 5.455 4.350 1.897 0.000 0.197 434 E C 1.468 178.080 176.600 0.020 0.000 0.998 434 E CA 1.109 57.508 56.400 -0.002 0.000 0.830 434 E CB 0.015 29.707 29.700 -0.013 0.000 0.751 434 E HN 0.363 nan 8.360 nan 0.000 0.491 435 M N -1.870 117.741 119.600 0.017 0.000 2.615 435 M HA 0.051 5.669 4.480 1.897 0.000 0.262 435 M C 1.873 178.200 176.300 0.045 0.000 1.198 435 M CA 0.765 56.083 55.300 0.030 0.000 1.165 435 M CB 0.169 32.765 32.600 -0.006 0.000 1.310 435 M HN -0.029 nan 8.290 nan 0.000 0.494 436 T N 1.781 116.354 114.554 0.031 0.000 2.737 436 T HA -0.066 5.422 4.350 1.897 0.000 0.265 436 T C 1.816 176.617 174.700 0.168 0.000 1.038 436 T CA 1.111 63.249 62.100 0.063 0.000 1.144 436 T CB -0.075 68.830 68.868 0.061 0.000 0.866 436 T HN 0.058 nan 8.240 nan 0.000 0.434 437 L N 1.761 123.059 121.223 0.125 0.000 1.970 437 L HA -0.077 5.401 4.340 1.897 0.000 0.212 437 L C 2.162 179.093 176.870 0.103 0.000 1.071 437 L CA 1.783 56.687 54.840 0.106 0.000 0.751 437 L CB -1.002 41.067 42.059 0.018 0.000 0.889 437 L HN 0.186 nan 8.230 nan 0.000 0.432 438 D N -1.381 119.088 120.400 0.116 0.000 2.311 438 D HA -0.218 5.560 4.640 1.897 0.000 0.212 438 D C 2.016 178.426 176.300 0.182 0.000 0.972 438 D CA 0.707 54.825 54.000 0.196 0.000 0.887 438 D CB -0.160 40.780 40.800 0.233 0.000 0.915 438 D HN 0.264 nan 8.370 nan 0.000 0.497 439 F N 1.388 121.295 119.950 -0.072 0.000 2.128 439 F HA -0.141 5.524 4.527 1.897 0.000 0.295 439 F C 2.314 177.918 175.800 -0.327 0.000 1.100 439 F CA 1.415 59.281 58.000 -0.223 0.000 1.260 439 F CB -0.244 38.606 39.000 -0.249 0.000 1.009 439 F HN 0.016 nan 8.300 nan 0.000 0.476 440 H N -0.510 118.382 119.070 -0.296 0.000 2.290 440 H HA -0.187 5.507 4.556 1.896 0.000 0.298 440 H C 1.898 176.942 175.328 -0.473 0.000 1.087 440 H CA 1.957 57.750 56.048 -0.424 0.000 1.291 440 H CB -0.854 28.719 29.762 -0.314 0.000 1.369 440 H HN 0.267 nan 8.280 nan 0.000 0.492 441 D N 0.328 120.612 120.400 -0.192 0.000 2.203 441 D HA -0.149 5.629 4.640 1.897 0.000 0.199 441 D C 2.326 178.439 176.300 -0.312 0.000 0.997 441 D CA 1.499 55.382 54.000 -0.196 0.000 0.863 441 D CB -0.134 40.660 40.800 -0.011 0.000 0.928 441 D HN 0.227 nan 8.370 nan 0.000 0.458 442 S N -1.171 114.162 115.700 -0.611 0.000 2.470 442 S HA 0.003 5.611 4.470 1.897 0.000 0.225 442 S C 1.689 175.844 174.600 -0.741 0.000 1.006 442 S CA 0.320 57.870 58.200 -1.082 0.000 0.934 442 S CB -0.211 61.950 63.200 -1.733 0.000 0.778 442 S HN 0.194 nan 8.310 nan 0.000 0.517 443 N N 1.337 119.565 118.700 -0.786 0.000 2.216 443 N HA 0.008 5.886 4.740 1.897 0.000 0.183 443 N C 1.697 176.767 175.510 -0.734 0.000 1.017 443 N CA 1.118 53.663 53.050 -0.842 0.000 0.861 443 N CB -0.526 37.238 38.487 -1.205 0.000 0.986 443 N HN 0.263 nan 8.380 nan 0.000 0.428 444 V N 1.836 121.363 119.914 -0.646 0.000 2.221 444 V HA -0.221 5.037 4.120 1.897 0.000 0.242 444 V C 2.314 178.326 176.094 -0.137 0.000 1.041 444 V CA 1.737 63.822 62.300 -0.358 0.000 0.995 444 V CB -0.579 31.110 31.823 -0.222 0.000 0.635 444 V HN 0.286 nan 8.190 nan 0.000 0.448 445 K N 0.846 121.190 120.400 -0.093 0.000 2.442 445 K HA -0.224 5.234 4.320 1.897 0.000 0.200 445 K C 1.490 178.144 176.600 0.089 0.000 1.045 445 K CA 2.010 58.355 56.287 0.097 0.000 0.937 445 K CB -0.437 32.148 32.500 0.141 0.000 0.757 445 K HN 0.446 nan 8.250 nan 0.000 0.474 446 N N -0.463 118.192 118.700 -0.075 0.000 2.376 446 N HA -0.002 5.876 4.740 1.897 0.000 0.177 446 N C 1.060 176.560 175.510 -0.015 0.000 1.024 446 N CA 0.545 53.554 53.050 -0.069 0.000 0.893 446 N CB 0.011 38.388 38.487 -0.183 0.000 0.980 446 N HN 0.159 nan 8.380 nan 0.000 0.439 447 L N -0.607 120.604 121.223 -0.020 0.000 2.127 447 L HA 0.054 5.531 4.340 1.897 0.000 0.203 447 L C 1.672 178.626 176.870 0.141 0.000 1.080 447 L CA 1.232 56.091 54.840 0.031 0.000 0.768 447 L CB -0.863 41.175 42.059 -0.035 0.000 0.924 447 L HN 0.189 nan 8.230 nan 0.000 0.444 448 Y N 0.125 120.488 120.300 0.105 0.000 2.365 448 Y HA -0.267 5.421 4.550 1.897 0.000 0.287 448 Y C 1.801 177.820 175.900 0.200 0.000 1.162 448 Y CA 1.942 60.185 58.100 0.239 0.000 1.260 448 Y CB -0.048 38.616 38.460 0.341 0.000 0.976 448 Y HN 0.326 nan 8.280 nan 0.000 0.548 449 D N -0.950 119.539 120.400 0.149 0.000 2.338 449 D HA -0.058 5.720 4.640 1.897 0.000 0.208 449 D C 1.915 178.196 176.300 -0.032 0.000 0.997 449 D CA 0.497 54.525 54.000 0.046 0.000 0.880 449 D CB -0.167 40.686 40.800 0.090 0.000 0.980 449 D HN 0.286 nan 8.370 nan 0.000 0.509 450 K N 0.967 121.362 120.400 -0.009 0.000 2.280 450 K HA -0.073 5.385 4.320 1.897 0.000 0.202 450 K C 1.518 178.065 176.600 -0.089 0.000 1.047 450 K CA 0.692 56.966 56.287 -0.022 0.000 0.942 450 K CB 0.302 32.819 32.500 0.028 0.000 0.739 450 K HN -0.061 nan 8.250 nan 0.000 0.457 451 V N 0.633 120.452 119.914 -0.158 0.000 2.326 451 V HA -0.096 5.162 4.120 1.897 0.000 0.237 451 V C 2.406 178.147 176.094 -0.589 0.000 1.044 451 V CA 1.315 63.389 62.300 -0.377 0.000 1.035 451 V CB -0.476 31.085 31.823 -0.437 0.000 0.675 451 V HN 0.357 nan 8.190 nan 0.000 0.470 452 R N -0.134 119.985 120.500 -0.635 0.000 2.153 452 R HA -0.245 5.233 4.340 1.897 0.000 0.252 452 R C 2.089 178.220 176.300 -0.283 0.000 1.158 452 R CA 2.201 58.039 56.100 -0.435 0.000 0.975 452 R CB -0.257 29.988 30.300 -0.091 0.000 0.871 452 R HN 0.419 nan 8.270 nan 0.000 0.450 453 M N -0.274 119.197 119.600 -0.215 0.000 2.558 453 M HA -0.069 5.548 4.480 1.897 0.000 0.255 453 M C 1.811 178.004 176.300 -0.178 0.000 1.113 453 M CA 1.055 56.262 55.300 -0.156 0.000 1.097 453 M CB 0.233 32.778 32.600 -0.092 0.000 1.426 453 M HN 0.295 nan 8.290 nan 0.000 0.488 454 Q N -0.086 119.568 119.800 -0.244 0.000 2.134 454 Q HA -0.036 5.442 4.340 1.897 0.000 0.195 454 Q C 1.828 177.620 176.000 -0.347 0.000 0.958 454 Q CA 0.878 56.541 55.803 -0.234 0.000 0.840 454 Q CB 0.290 28.870 28.738 -0.263 0.000 0.918 454 Q HN 0.311 nan 8.270 nan 0.000 0.467 455 L N 0.328 121.233 121.223 -0.531 0.000 2.023 455 L HA -0.076 5.402 4.340 1.897 0.000 0.205 455 L C 1.166 177.919 176.870 -0.195 0.000 1.073 455 L CA 1.443 55.972 54.840 -0.518 0.000 0.745 455 L CB -0.741 40.887 42.059 -0.718 0.000 0.900 455 L HN 0.242 nan 8.230 nan 0.000 0.435 456 R N -0.255 120.116 120.500 -0.215 0.000 3.992 456 R HA -0.272 5.206 4.340 1.897 0.000 0.330 456 R C 1.039 177.331 176.300 -0.013 0.000 0.242 456 R CA 1.511 57.529 56.100 -0.137 0.000 1.095 456 R CB -2.127 27.999 30.300 -0.290 0.000 1.002 456 R HN 0.462 nan 8.270 nan 0.000 0.559 457 D N 1.226 121.689 120.400 0.105 0.000 2.339 457 D HA 0.023 5.801 4.640 1.897 0.000 0.217 457 D C 0.916 177.417 176.300 0.336 0.000 1.050 457 D CA 0.360 54.487 54.000 0.212 0.000 0.856 457 D CB -0.435 40.506 40.800 0.236 0.000 0.922 457 D HN 0.272 nan 8.370 nan 0.000 0.518 458 N N 0.224 119.156 118.700 0.386 0.000 2.519 458 N HA -0.021 5.857 4.740 1.897 0.000 0.186 458 N C 0.486 176.119 175.510 0.205 0.000 1.062 458 N CA 0.847 54.173 53.050 0.460 0.000 0.910 458 N CB 0.367 39.236 38.487 0.637 0.000 0.958 458 N HN 0.430 nan 8.380 nan 0.000 0.445 459 V N -3.385 116.472 119.914 -0.095 0.000 3.216 459 V HA 0.481 5.739 4.120 1.897 0.000 0.302 459 V C -0.916 174.888 176.094 -0.483 0.000 1.286 459 V CA -1.408 60.611 62.300 -0.469 0.000 1.048 459 V CB 2.335 33.757 31.823 -0.669 0.000 1.081 459 V HN 0.054 nan 8.190 nan 0.000 0.442 460 K N 0.677 120.673 120.400 -0.673 0.000 2.110 460 K HA 0.613 6.071 4.320 1.897 0.000 0.263 460 K C -0.575 175.882 176.600 -0.238 0.000 0.975 460 K CA -0.454 55.586 56.287 -0.412 0.000 0.895 460 K CB 2.527 34.769 32.500 -0.431 0.000 1.060 460 K HN 0.870 nan 8.250 nan 0.000 0.448 461 E N 3.136 123.211 120.200 -0.208 0.000 1.993 461 E HA 0.060 5.548 4.350 1.897 0.000 0.271 461 E C 0.172 176.615 176.600 -0.262 0.000 1.008 461 E CA -0.453 55.733 56.400 -0.358 0.000 0.814 461 E CB 0.437 29.969 29.700 -0.280 0.000 1.098 461 E HN 0.582 nan 8.360 nan 0.000 0.407 462 L N 3.267 124.340 121.223 -0.250 0.000 2.261 462 L HA -0.028 5.450 4.340 1.897 0.000 0.216 462 L C 1.790 178.601 176.870 -0.098 0.000 1.114 462 L CA 1.749 56.514 54.840 -0.125 0.000 0.777 462 L CB -0.399 41.619 42.059 -0.070 0.000 0.910 462 L HN 0.895 nan 8.230 nan 0.000 0.440 463 G N -0.598 108.120 108.800 -0.137 0.000 2.159 463 G HA2 -0.334 4.764 3.960 1.897 0.000 0.256 463 G HA3 -0.334 4.764 3.960 1.897 0.000 0.256 463 G C 0.723 175.606 174.900 -0.028 0.000 0.977 463 G CA 0.584 45.604 45.100 -0.133 0.000 0.652 463 G HN 0.521 nan 8.290 nan 0.000 0.531 464 N N -0.086 118.640 118.700 0.043 0.000 2.187 464 N HA 0.422 6.300 4.740 1.897 0.000 0.212 464 N C 1.542 177.177 175.510 0.208 0.000 1.152 464 N CA 0.899 54.027 53.050 0.129 0.000 0.872 464 N CB 0.278 38.820 38.487 0.092 0.000 1.025 464 N HN 1.547 nan 8.380 nan 0.000 0.514 465 G N -0.513 108.441 108.800 0.257 0.000 2.278 465 G HA2 -0.228 4.870 3.960 1.897 0.000 0.210 465 G HA3 -0.228 4.870 3.960 1.897 0.000 0.210 465 G C -0.119 175.042 174.900 0.435 0.000 1.000 465 G CA 0.004 45.354 45.100 0.416 0.000 0.635 465 G HN 0.431 nan 8.290 nan 0.000 0.495 466 c N 1.123 119.849 118.600 0.210 0.000 2.405 466 c HA 0.785 6.493 4.570 1.897 0.000 0.365 466 c C 0.162 174.192 174.090 -0.101 0.000 1.233 466 c CA -0.483 55.953 56.329 0.179 0.000 2.230 466 c CB -0.112 42.495 42.510 0.161 0.000 2.443 466 c HN 0.288 nan 8.230 nan 0.000 0.556 467 F N 1.022 120.990 119.950 0.030 0.000 2.469 467 F HA 0.432 6.097 4.527 1.896 0.000 0.332 467 F C 0.330 176.042 175.800 -0.146 0.000 1.103 467 F CA -0.448 57.469 58.000 -0.138 0.000 0.979 467 F CB 1.007 39.828 39.000 -0.299 0.000 1.137 467 F HN 0.555 nan 8.300 nan 0.000 0.463 468 E N 3.193 123.355 120.200 -0.062 0.000 2.133 468 E HA 0.326 5.814 4.350 1.897 0.000 0.274 468 E C -1.307 175.179 176.600 -0.190 0.000 0.930 468 E CA -0.688 55.676 56.400 -0.059 0.000 0.770 468 E CB 0.840 30.503 29.700 -0.063 0.000 1.104 468 E HN 0.437 nan 8.360 nan 0.000 0.403 469 F N 3.348 123.209 119.950 -0.147 0.000 2.543 469 F HA 0.026 5.691 4.527 1.896 0.000 0.375 469 F C 0.493 176.212 175.800 -0.136 0.000 1.075 469 F CA -0.013 57.838 58.000 -0.249 0.000 1.225 469 F CB 0.429 39.244 39.000 -0.308 0.000 1.099 469 F HN 0.615 nan 8.300 nan 0.000 0.561 470 Y N 3.345 123.644 120.300 -0.002 0.000 2.581 470 Y HA 0.123 5.811 4.550 1.897 0.000 0.346 470 Y C 0.182 176.226 175.900 0.240 0.000 1.147 470 Y CA -0.382 57.788 58.100 0.117 0.000 1.353 470 Y CB -1.772 36.783 38.460 0.160 0.000 1.187 470 Y HN 0.648 nan 8.280 nan 0.000 0.505 471 H N -3.763 115.551 119.070 0.407 0.000 2.963 471 H HA 0.427 6.121 4.556 1.897 0.000 0.255 471 H C -1.236 174.227 175.328 0.224 0.000 1.516 471 H CA -1.444 54.788 56.048 0.306 0.000 1.181 471 H CB 0.577 30.549 29.762 0.351 0.000 1.900 471 H HN -0.353 nan 8.280 nan 0.000 0.686 472 K N 0.299 120.945 120.400 0.410 0.000 2.156 472 K HA 0.554 6.011 4.320 1.897 0.000 0.271 472 K C -1.131 175.561 176.600 0.153 0.000 0.995 472 K CA -0.521 55.880 56.287 0.190 0.000 0.890 472 K CB 1.768 34.365 32.500 0.161 0.000 1.073 472 K HN 0.641 nan 8.250 nan 0.000 0.454 473 c N 4.742 123.252 118.600 -0.151 0.000 2.801 473 c HA 0.145 5.853 4.570 1.897 0.000 0.296 473 c C -0.314 173.665 174.090 -0.185 0.000 1.054 473 c CA -0.948 55.196 56.329 -0.309 0.000 1.442 473 c CB -0.734 41.200 42.510 -0.961 0.000 1.860 473 c HN 0.874 nan 8.230 nan 0.000 0.459 474 D N 2.060 122.426 120.400 -0.057 0.000 2.352 474 D HA -0.006 5.772 4.640 1.897 0.000 0.238 474 D C 0.542 176.813 176.300 -0.050 0.000 1.286 474 D CA -0.042 53.938 54.000 -0.032 0.000 0.923 474 D CB 0.695 41.499 40.800 0.006 0.000 1.146 474 D HN 0.366 nan 8.370 nan 0.000 0.471 475 D N -1.089 119.299 120.400 -0.018 0.000 2.390 475 D HA -0.067 5.711 4.640 1.897 0.000 0.235 475 D C 1.064 177.342 176.300 -0.036 0.000 1.040 475 D CA 0.625 54.616 54.000 -0.015 0.000 0.923 475 D CB 0.077 40.892 40.800 0.025 0.000 0.886 475 D HN 0.443 nan 8.370 nan 0.000 0.532 476 E N -1.151 119.030 120.200 -0.031 0.000 2.434 476 E HA 0.054 5.542 4.350 1.897 0.000 0.207 476 E C 1.609 178.190 176.600 -0.031 0.000 0.929 476 E CA 0.039 56.425 56.400 -0.024 0.000 1.001 476 E CB -0.158 29.541 29.700 -0.001 0.000 1.016 476 E HN 0.185 nan 8.360 nan 0.000 0.502 477 c N 0.252 118.823 118.600 -0.048 0.000 2.522 477 c HA 0.055 5.763 4.570 1.897 0.000 0.280 477 c C 2.251 176.278 174.090 -0.106 0.000 1.303 477 c CA 0.365 56.646 56.329 -0.081 0.000 1.709 477 c CB -0.728 41.688 42.510 -0.157 0.000 2.071 477 c HN 0.363 nan 8.230 nan 0.000 0.492 478 M N 2.029 121.523 119.600 -0.177 0.000 2.115 478 M HA -0.153 5.465 4.480 1.897 0.000 0.258 478 M C 1.909 178.070 176.300 -0.232 0.000 1.071 478 M CA 2.323 57.479 55.300 -0.240 0.000 1.100 478 M CB -2.390 29.993 32.600 -0.362 0.000 1.292 478 M HN 0.647 nan 8.290 nan 0.000 0.415 479 N N 0.467 119.049 118.700 -0.197 0.000 2.417 479 N HA -0.158 5.720 4.740 1.897 0.000 0.187 479 N C 1.539 176.991 175.510 -0.097 0.000 1.027 479 N CA 1.930 54.892 53.050 -0.147 0.000 0.891 479 N CB -0.089 38.347 38.487 -0.086 0.000 0.956 479 N HN 0.450 nan 8.380 nan 0.000 0.442 480 S N -1.600 114.062 115.700 -0.063 0.000 2.446 480 S HA 0.038 5.646 4.470 1.897 0.000 0.225 480 S C 1.853 176.464 174.600 0.019 0.000 1.016 480 S CA 0.573 58.769 58.200 -0.006 0.000 0.943 480 S CB -0.391 62.820 63.200 0.020 0.000 0.786 480 S HN 0.088 nan 8.310 nan 0.000 0.508 481 V N 2.679 122.583 119.914 -0.016 0.000 2.270 481 V HA -0.123 5.135 4.120 1.897 0.000 0.245 481 V C 2.587 178.576 176.094 -0.175 0.000 1.043 481 V CA 2.096 64.354 62.300 -0.070 0.000 1.014 481 V CB -0.682 31.053 31.823 -0.146 0.000 0.645 481 V HN 0.529 nan 8.190 nan 0.000 0.447 482 K N 0.364 120.557 120.400 -0.345 0.000 2.097 482 K HA -0.201 5.257 4.320 1.897 0.000 0.206 482 K C 2.007 178.572 176.600 -0.058 0.000 1.049 482 K CA 1.522 57.610 56.287 -0.332 0.000 0.933 482 K CB -0.432 31.807 32.500 -0.435 0.000 0.717 482 K HN 0.280 nan 8.250 nan 0.000 0.442 483 N N 0.364 119.033 118.700 -0.052 0.000 2.417 483 N HA -0.139 5.739 4.740 1.897 0.000 0.187 483 N C 1.172 176.698 175.510 0.026 0.000 1.027 483 N CA 1.418 54.469 53.050 0.001 0.000 0.891 483 N CB -0.096 38.391 38.487 0.000 0.000 0.956 483 N HN 0.473 nan 8.380 nan 0.000 0.442 484 G N -1.514 107.301 108.800 0.025 0.000 2.205 484 G HA2 -0.261 4.837 3.960 1.897 0.000 0.261 484 G HA3 -0.261 4.837 3.960 1.897 0.000 0.261 484 G C 0.154 175.085 174.900 0.052 0.000 0.980 484 G CA 0.894 46.018 45.100 0.040 0.000 0.632 484 G HN 0.638 nan 8.290 nan 0.000 0.533 485 T N -1.744 112.846 114.554 0.060 0.000 2.977 485 T HA 0.635 6.123 4.350 1.897 0.000 0.346 485 T C -0.104 174.670 174.700 0.123 0.000 1.140 485 T CA -0.633 61.514 62.100 0.079 0.000 1.040 485 T CB 1.757 70.655 68.868 0.050 0.000 1.046 485 T HN 0.502 nan 8.240 nan 0.000 0.494 486 Y N 2.436 122.742 120.300 0.011 0.000 2.780 486 Y HA 0.570 6.258 4.550 1.897 0.000 0.449 486 Y C 0.065 176.010 175.900 0.074 0.000 1.395 486 Y CA -0.308 57.807 58.100 0.025 0.000 1.864 486 Y CB 0.833 39.307 38.460 0.022 0.000 1.728 486 Y HN 0.632 nan 8.280 nan 0.000 0.686 487 D N -0.771 119.353 120.400 -0.461 0.000 3.171 487 D HA -0.026 5.751 4.640 1.897 0.000 0.240 487 D C -0.508 175.695 176.300 -0.161 0.000 1.432 487 D CA -0.237 53.632 54.000 -0.219 0.000 0.892 487 D CB -1.066 39.637 40.800 -0.162 0.000 1.499 487 D HN 0.459 nan 8.370 nan 0.000 0.597 488 Y N 1.725 122.066 120.300 0.069 0.000 2.352 488 Y HA -0.091 5.597 4.550 1.897 0.000 0.292 488 Y C 1.844 177.804 175.900 0.100 0.000 1.136 488 Y CA 2.036 60.262 58.100 0.209 0.000 1.227 488 Y CB 0.235 38.846 38.460 0.251 0.000 0.991 488 Y HN 0.249 nan 8.280 nan 0.000 0.545 489 S N -0.824 114.900 115.700 0.039 0.000 2.851 489 S HA 0.080 5.688 4.470 1.897 0.000 0.227 489 S C 1.178 175.704 174.600 -0.125 0.000 0.958 489 S CA 0.391 58.557 58.200 -0.057 0.000 0.990 489 S CB -0.123 63.096 63.200 0.031 0.000 0.790 489 S HN 0.601 nan 8.310 nan 0.000 0.509 490 K N 0.209 120.510 120.400 -0.164 0.000 2.641 490 K HA 0.258 5.716 4.320 1.897 0.000 0.222 490 K C 0.477 176.891 176.600 -0.310 0.000 1.474 490 K CA -0.219 55.928 56.287 -0.232 0.000 0.873 490 K CB -0.269 32.076 32.500 -0.258 0.000 1.817 490 K HN 0.235 nan 8.250 nan 0.000 0.419 491 Y N 2.554 122.643 120.300 -0.352 0.000 2.751 491 Y HA -0.057 5.631 4.550 1.897 0.000 0.310 491 Y C 1.866 177.520 175.900 -0.409 0.000 1.176 491 Y CA 0.937 58.740 58.100 -0.495 0.000 1.360 491 Y CB -0.109 37.839 38.460 -0.854 0.000 0.999 491 Y HN 0.429 nan 8.280 nan 0.000 0.532 492 E N 1.585 121.622 120.200 -0.272 0.000 2.085 492 E HA -0.229 5.259 4.350 1.897 0.000 0.194 492 E C 0.777 177.285 176.600 -0.153 0.000 0.994 492 E CA 0.555 56.752 56.400 -0.338 0.000 0.801 492 E CB 0.030 29.428 29.700 -0.502 0.000 0.743 492 E HN 0.444 nan 8.360 nan 0.000 0.453 493 E N 0.475 120.586 120.200 -0.147 0.000 1.932 493 E HA -0.042 5.446 4.350 1.897 0.000 0.275 493 E C -0.455 176.111 176.600 -0.057 0.000 1.159 493 E CA 0.245 56.590 56.400 -0.091 0.000 0.905 493 E CB 0.301 29.939 29.700 -0.103 0.000 1.059 493 E HN 0.174 nan 8.360 nan 0.000 0.400 494 E N 2.179 122.382 120.200 0.004 0.000 2.316 494 E HA -0.012 5.476 4.350 1.897 0.000 0.094 494 E C -1.198 175.453 176.600 0.084 0.000 0.743 494 E CA 0.050 56.485 56.400 0.059 0.000 1.438 494 E CB -0.644 29.128 29.700 0.120 0.000 1.396 494 E HN 0.377 nan 8.360 nan 0.000 0.456 495 S N 2.087 117.812 115.700 0.042 0.000 2.571 495 S HA 0.073 5.681 4.470 1.897 0.000 0.298 495 S C 0.432 174.969 174.600 -0.105 0.000 1.280 495 S CA 0.461 58.653 58.200 -0.013 0.000 1.052 495 S CB 0.291 63.480 63.200 -0.018 0.000 0.799 495 S HN 0.331 nan 8.310 nan 0.000 0.501 496 K N 0.000 120.209 120.400 -0.318 0.000 2.780 496 K HA 0.000 5.458 4.320 1.897 0.000 0.191 496 K CA 0.000 56.076 56.287 -0.351 0.000 0.838 496 K CB 0.000 32.339 32.500 -0.268 0.000 1.064 496 K HN 0.000 nan 8.250 nan 0.000 0.543