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 1euz_1_A DATA FIRST_RESID 4 DATA SEQUENCE IDPFEMAVKQ LERAAQYMDI SEEALEWLKK PMRIVEVSVP IEMDDGSVKV DATA SEQUENCE FTGFRVQHNW ARGPTKGGIR WHPAETLSTV KALATWMTWK VAVVDLPYGG DATA SEQUENCE GKGGIIVNPK ELSEREQERL ARAYIRAVYD VIGPWTDIPA PDVYTNPKIM DATA SEQUENCE GWMMDEYETI MRRKGPAFGV ITGKPLSIGG SLGRGTATAQ GAIFTIREAA DATA SEQUENCE KALGIDLKGK KIAVQGYGNA GYYTAKLAKE QLGMTVVAVS DSRGGIYNPD DATA SEQUENCE GLDPDEVLKW KREHGSVKDF PGATNITNEE LLELEVDVLA PAAIEEVITE DATA SEQUENCE KNADNIKAKI VAEVANGPVT PEADDILREK GILQIPDFLC NAGGVTVSYF DATA SEQUENCE EWVQNINGYY WTEEEVREKL DKKMTKAFWE VYNTHKDKNI HMRDAAYVVA DATA SEQUENCE VSRVYQAMKD RGWVKK 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.174 176.117 0.095 0.000 1.063 4 I CA 0.000 61.360 61.300 0.099 0.000 1.566 4 I CB 0.000 38.032 38.000 0.054 0.000 1.214 5 D N 2.490 122.927 120.400 0.062 0.000 2.268 5 D HA -0.190 4.450 4.640 0.000 0.000 0.189 5 D C -1.076 175.262 176.300 0.063 0.000 1.010 5 D CA 2.987 57.018 54.000 0.053 0.000 0.862 5 D CB -0.287 40.544 40.800 0.052 0.000 0.943 5 D HN 0.430 nan 8.370 nan 0.000 0.451 6 P HA -0.070 nan 4.420 nan 0.000 0.216 6 P C 1.283 178.592 177.300 0.015 0.000 1.153 6 P CA 0.837 64.004 63.100 0.111 0.000 0.848 6 P CB -0.182 31.594 31.700 0.126 0.000 0.787 7 F N 1.269 121.137 119.950 -0.137 0.000 2.113 7 F HA -0.117 4.410 4.527 0.000 0.000 0.297 7 F C 1.917 177.611 175.800 -0.176 0.000 1.103 7 F CA 1.501 59.370 58.000 -0.218 0.000 1.248 7 F CB -0.796 38.102 39.000 -0.169 0.000 0.999 7 F HN -0.103 nan 8.300 nan 0.000 0.475 8 E N -0.222 119.852 120.200 -0.211 0.000 2.209 8 E HA -0.279 4.072 4.350 0.000 0.000 0.196 8 E C 2.265 178.738 176.600 -0.212 0.000 0.993 8 E CA 1.412 57.662 56.400 -0.250 0.000 0.819 8 E CB -0.295 29.359 29.700 -0.077 0.000 0.745 8 E HN 0.495 nan 8.360 nan 0.000 0.477 9 M N 0.298 119.828 119.600 -0.118 0.000 2.132 9 M HA -0.147 4.333 4.480 0.000 0.000 0.263 9 M C 2.278 178.556 176.300 -0.036 0.000 1.065 9 M CA 1.555 56.854 55.300 -0.001 0.000 1.122 9 M CB 0.001 32.701 32.600 0.167 0.000 1.365 9 M HN 0.159 nan 8.290 nan 0.000 0.411 10 A N -0.609 122.004 122.820 -0.344 0.000 1.898 10 A HA -0.107 4.213 4.320 0.000 0.000 0.216 10 A C 2.019 179.374 177.584 -0.381 0.000 1.181 10 A CA 1.646 53.319 52.037 -0.607 0.000 0.620 10 A CB -1.071 17.151 19.000 -1.298 0.000 0.819 10 A HN 0.383 nan 8.150 nan 0.000 0.442 11 V N -0.010 119.585 119.914 -0.532 0.000 2.287 11 V HA -0.294 3.826 4.120 0.000 0.000 0.248 11 V C 2.537 178.510 176.094 -0.201 0.000 1.053 11 V CA 2.534 64.600 62.300 -0.389 0.000 1.027 11 V CB -0.646 30.867 31.823 -0.517 0.000 0.646 11 V HN 0.522 nan 8.190 nan 0.000 0.447 12 K N 0.103 120.402 120.400 -0.169 0.000 2.097 12 K HA -0.177 4.143 4.320 0.000 0.000 0.206 12 K C 2.482 179.025 176.600 -0.094 0.000 1.049 12 K CA 1.745 57.969 56.287 -0.105 0.000 0.933 12 K CB -0.508 31.950 32.500 -0.071 0.000 0.717 12 K HN 0.622 nan 8.250 nan 0.000 0.442 13 Q N 0.363 120.123 119.800 -0.066 0.000 2.224 13 Q HA 0.002 4.342 4.340 0.000 0.000 0.203 13 Q C 1.966 177.821 176.000 -0.242 0.000 0.970 13 Q CA 1.592 57.318 55.803 -0.127 0.000 0.865 13 Q CB -0.603 28.159 28.738 0.040 0.000 0.922 13 Q HN 0.344 nan 8.270 nan 0.000 0.445 14 L N 0.304 121.442 121.223 -0.141 0.000 2.095 14 L HA 0.038 4.378 4.340 0.000 0.000 0.204 14 L C 2.144 178.920 176.870 -0.158 0.000 1.080 14 L CA 2.337 57.076 54.840 -0.167 0.000 0.759 14 L CB -0.297 41.763 42.059 0.002 0.000 0.914 14 L HN 0.506 nan 8.230 nan 0.000 0.439 15 E N -0.393 119.734 120.200 -0.123 0.000 2.160 15 E HA -0.268 4.082 4.350 0.000 0.000 0.195 15 E C 2.227 178.744 176.600 -0.138 0.000 0.991 15 E CA 1.191 57.520 56.400 -0.118 0.000 0.810 15 E CB -0.229 29.412 29.700 -0.100 0.000 0.742 15 E HN 0.449 nan 8.360 nan 0.000 0.466 16 R N 0.867 121.284 120.500 -0.138 0.000 2.070 16 R HA -0.135 4.205 4.340 0.000 0.000 0.233 16 R C 2.299 178.540 176.300 -0.098 0.000 1.137 16 R CA 1.434 57.463 56.100 -0.118 0.000 0.945 16 R CB -0.276 29.973 30.300 -0.085 0.000 0.845 16 R HN 0.163 nan 8.270 nan 0.000 0.430 17 A N 0.729 123.480 122.820 -0.115 0.000 1.978 17 A HA -0.097 4.223 4.320 0.000 0.000 0.220 17 A C 2.262 179.820 177.584 -0.044 0.000 1.170 17 A CA 1.634 53.662 52.037 -0.015 0.000 0.636 17 A CB -0.651 18.256 19.000 -0.154 0.000 0.810 17 A HN 0.570 nan 8.150 nan 0.000 0.448 18 A N -1.229 121.509 122.820 -0.135 0.000 2.172 18 A HA -0.078 4.243 4.320 0.000 0.000 0.216 18 A C 1.880 179.348 177.584 -0.194 0.000 1.154 18 A CA 1.302 53.249 52.037 -0.150 0.000 0.701 18 A CB -0.267 18.643 19.000 -0.149 0.000 0.789 18 A HN 0.478 nan 8.150 nan 0.000 0.465 19 Q N -1.492 118.115 119.800 -0.322 0.000 2.378 19 Q HA -0.026 4.314 4.340 0.000 0.000 0.205 19 Q C 0.290 175.900 176.000 -0.649 0.000 0.954 19 Q CA 0.982 56.472 55.803 -0.521 0.000 0.901 19 Q CB -0.285 28.023 28.738 -0.717 0.000 0.981 19 Q HN 0.878 nan 8.270 nan 0.000 0.483 20 Y N -0.221 120.053 120.300 -0.042 0.000 2.507 20 Y HA 0.319 4.869 4.550 0.000 0.000 0.254 20 Y C 0.910 176.800 175.900 -0.017 0.000 1.171 20 Y CA -0.365 57.721 58.100 -0.023 0.000 1.238 20 Y CB 0.248 38.700 38.460 -0.012 0.000 1.148 20 Y HN 0.038 nan 8.280 nan 0.000 0.525 21 M N -2.993 116.625 119.600 0.030 0.000 2.644 21 M HA 0.715 5.195 4.480 0.000 0.000 0.273 21 M C -1.394 174.902 176.300 -0.007 0.000 1.253 21 M CA -0.765 54.555 55.300 0.033 0.000 0.852 21 M CB 1.335 33.964 32.600 0.049 0.000 1.708 21 M HN -0.111 nan 8.290 nan 0.000 0.471 22 D N 1.981 122.398 120.400 0.027 0.000 2.347 22 D HA 0.664 5.304 4.640 0.000 0.000 0.235 22 D C -1.104 175.215 176.300 0.032 0.000 1.149 22 D CA -0.388 53.628 54.000 0.026 0.000 0.850 22 D CB 1.031 41.866 40.800 0.057 0.000 1.061 22 D HN 0.739 nan 8.370 nan 0.000 0.487 23 I N 1.324 121.833 120.570 -0.101 0.000 2.534 23 I HA 0.421 4.591 4.170 0.000 0.000 0.288 23 I C 0.486 176.485 176.117 -0.197 0.000 1.077 23 I CA -0.630 60.457 61.300 -0.356 0.000 1.051 23 I CB 2.050 39.702 38.000 -0.581 0.000 1.234 23 I HN 0.465 nan 8.210 nan 0.000 0.425 24 S N 4.236 119.877 115.700 -0.097 0.000 2.576 24 S HA 0.061 4.531 4.470 0.000 0.000 0.272 24 S C 0.948 175.529 174.600 -0.032 0.000 1.352 24 S CA -0.077 58.127 58.200 0.007 0.000 1.021 24 S CB 1.378 64.646 63.200 0.113 0.000 0.887 24 S HN 0.795 nan 8.310 nan 0.000 0.542 25 E N 1.318 121.519 120.200 0.002 0.000 2.077 25 E HA -0.201 4.149 4.350 0.000 0.000 0.193 25 E C 2.094 178.720 176.600 0.043 0.000 0.989 25 E CA 2.044 58.449 56.400 0.007 0.000 0.800 25 E CB -0.390 29.319 29.700 0.014 0.000 0.746 25 E HN 0.942 nan 8.360 nan 0.000 0.452 26 E N -0.496 119.748 120.200 0.074 0.000 2.150 26 E HA -0.135 4.215 4.350 0.000 0.000 0.193 26 E C 1.954 178.661 176.600 0.178 0.000 0.985 26 E CA 1.115 57.593 56.400 0.130 0.000 0.814 26 E CB -0.242 29.540 29.700 0.137 0.000 0.752 26 E HN 0.220 nan 8.360 nan 0.000 0.466 27 A N 1.593 124.481 122.820 0.114 0.000 1.968 27 A HA 0.020 4.340 4.320 0.000 0.000 0.217 27 A C 2.219 179.848 177.584 0.074 0.000 1.169 27 A CA 0.566 52.655 52.037 0.088 0.000 0.638 27 A CB -0.461 18.552 19.000 0.022 0.000 0.812 27 A HN 0.319 nan 8.150 nan 0.000 0.446 28 L N -0.538 120.692 121.223 0.012 0.000 2.027 28 L HA -0.125 4.215 4.340 0.000 0.000 0.206 28 L C 2.471 179.410 176.870 0.114 0.000 1.074 28 L CA 1.391 56.247 54.840 0.027 0.000 0.745 28 L CB -0.399 41.643 42.059 -0.029 0.000 0.898 28 L HN 0.349 nan 8.230 nan 0.000 0.433 29 E N -0.590 119.682 120.200 0.119 0.000 2.160 29 E HA -0.279 4.071 4.350 0.000 0.000 0.195 29 E C 1.725 178.442 176.600 0.195 0.000 0.991 29 E CA 0.992 57.469 56.400 0.128 0.000 0.810 29 E CB -0.315 29.446 29.700 0.102 0.000 0.742 29 E HN 0.600 nan 8.360 nan 0.000 0.466 30 W N 1.013 122.339 121.300 0.043 0.000 2.408 30 W HA -0.047 4.613 4.660 0.000 0.000 0.311 30 W C 1.800 178.355 176.519 0.061 0.000 1.190 30 W CA 0.735 58.102 57.345 0.036 0.000 1.321 30 W CB -0.530 28.966 29.460 0.059 0.000 1.143 30 W HN 0.019 nan 8.180 nan 0.000 0.501 31 L N 0.960 122.474 121.223 0.485 0.000 2.353 31 L HA -0.186 4.154 4.340 0.000 0.000 0.220 31 L C 2.366 179.526 176.870 0.483 0.000 1.133 31 L CA 1.076 56.200 54.840 0.475 0.000 0.798 31 L CB -0.505 41.842 42.059 0.480 0.000 0.922 31 L HN -0.119 nan 8.230 nan 0.000 0.445 32 K N -0.016 120.564 120.400 0.300 0.000 2.228 32 K HA -0.005 4.315 4.320 0.000 0.000 0.202 32 K C 0.378 177.152 176.600 0.290 0.000 1.051 32 K CA 0.601 57.014 56.287 0.211 0.000 0.960 32 K CB 0.191 32.748 32.500 0.095 0.000 0.743 32 K HN 0.205 nan 8.250 nan 0.000 0.458 33 K N 2.201 122.730 120.400 0.214 0.000 2.253 33 K HA 0.206 4.526 4.320 0.000 0.000 0.277 33 K C -2.670 173.983 176.600 0.088 0.000 1.053 33 K CA -2.202 54.160 56.287 0.125 0.000 0.892 33 K CB 1.267 33.733 32.500 -0.057 0.000 1.102 33 K HN -0.163 nan 8.250 nan 0.000 0.469 34 P HA -0.050 nan 4.420 nan 0.000 0.262 34 P C 0.241 177.482 177.300 -0.097 0.000 1.182 34 P CA 0.422 63.572 63.100 0.084 0.000 0.761 34 P CB 0.537 32.250 31.700 0.023 0.000 0.795 35 M N 1.718 121.216 119.600 -0.172 0.000 2.288 35 M HA -0.050 4.430 4.480 0.000 0.000 0.266 35 M C 1.071 177.361 176.300 -0.017 0.000 1.072 35 M CA 1.433 56.567 55.300 -0.277 0.000 1.132 35 M CB 0.070 32.263 32.600 -0.679 0.000 1.386 35 M HN 0.289 nan 8.290 nan 0.000 0.432 36 R N 0.410 120.990 120.500 0.134 0.000 2.522 36 R HA 0.551 4.892 4.340 0.000 0.000 0.283 36 R C -1.965 174.384 176.300 0.081 0.000 1.074 36 R CA -0.291 55.895 56.100 0.143 0.000 0.925 36 R CB 1.538 31.989 30.300 0.251 0.000 1.205 36 R HN 0.063 nan 8.270 nan 0.000 0.436 37 I N 4.212 124.802 120.570 0.032 0.000 2.433 37 I HA 0.403 4.573 4.170 0.000 0.000 0.292 37 I C -0.745 175.405 176.117 0.055 0.000 1.001 37 I CA -1.051 60.264 61.300 0.025 0.000 1.119 37 I CB 2.248 40.229 38.000 -0.032 0.000 1.289 37 I HN 0.253 nan 8.210 nan 0.000 0.438 38 V N 5.819 125.789 119.914 0.093 0.000 2.444 38 V HA 0.339 4.459 4.120 0.000 0.000 0.294 38 V C -0.303 175.895 176.094 0.174 0.000 1.022 38 V CA -0.544 61.815 62.300 0.098 0.000 0.850 38 V CB 1.745 33.606 31.823 0.064 0.000 0.992 38 V HN 0.707 nan 8.190 nan 0.000 0.426 39 E N 4.133 124.427 120.200 0.157 0.000 2.158 39 E HA 0.717 5.067 4.350 0.000 0.000 0.271 39 E C -1.257 175.364 176.600 0.035 0.000 0.911 39 E CA -0.507 55.987 56.400 0.156 0.000 0.767 39 E CB 2.036 31.868 29.700 0.219 0.000 1.120 39 E HN 0.608 nan 8.360 nan 0.000 0.405 40 V N 0.674 120.574 119.914 -0.025 0.000 2.925 40 V HA 0.531 4.651 4.120 0.000 0.000 0.311 40 V C -0.182 175.883 176.094 -0.049 0.000 1.104 40 V CA -1.053 61.230 62.300 -0.028 0.000 0.954 40 V CB 1.741 33.550 31.823 -0.024 0.000 1.022 40 V HN 0.585 nan 8.190 nan 0.000 0.427 41 S N 1.912 117.591 115.700 -0.036 0.000 2.549 41 S HA 0.433 4.903 4.470 0.000 0.000 0.286 41 S C -0.017 174.582 174.600 -0.002 0.000 1.314 41 S CA -0.239 57.942 58.200 -0.032 0.000 1.062 41 S CB 0.938 64.116 63.200 -0.037 0.000 0.865 41 S HN 0.919 nan 8.310 nan 0.000 0.498 42 V N 6.259 126.188 119.914 0.025 0.000 2.315 42 V HA 0.281 4.401 4.120 0.000 0.000 0.265 42 V C -2.196 173.942 176.094 0.073 0.000 1.019 42 V CA -1.658 60.687 62.300 0.075 0.000 0.824 42 V CB 0.819 32.727 31.823 0.142 0.000 1.072 42 V HN 0.660 nan 8.190 nan 0.000 0.448 43 P HA 0.474 nan 4.420 nan 0.000 0.280 43 P C -0.545 176.764 177.300 0.014 0.000 1.244 43 P CA -0.021 63.068 63.100 -0.018 0.000 0.784 43 P CB 1.845 33.523 31.700 -0.037 0.000 0.913 44 I N -1.581 118.997 120.570 0.013 0.000 3.042 44 I HA 0.585 4.755 4.170 0.000 0.000 0.310 44 I C -0.511 175.597 176.117 -0.015 0.000 1.117 44 I CA -1.519 59.791 61.300 0.017 0.000 1.003 44 I CB 2.722 40.757 38.000 0.059 0.000 1.228 44 I HN 0.159 nan 8.210 nan 0.000 0.443 45 E N 3.937 124.126 120.200 -0.018 0.000 2.167 45 E HA 0.389 4.739 4.350 0.000 0.000 0.284 45 E C -0.874 175.717 176.600 -0.016 0.000 1.016 45 E CA -0.689 55.695 56.400 -0.026 0.000 0.817 45 E CB 1.094 30.776 29.700 -0.029 0.000 1.080 45 E HN 0.564 nan 8.360 nan 0.000 0.397 46 M N 3.088 122.680 119.600 -0.014 0.000 2.228 46 M HA 0.033 4.513 4.480 0.000 0.000 0.326 46 M C 0.729 177.022 176.300 -0.012 0.000 1.122 46 M CA -0.369 54.930 55.300 -0.002 0.000 1.161 46 M CB 0.661 33.264 32.600 0.004 0.000 1.437 46 M HN 0.543 nan 8.290 nan 0.000 0.465 47 D N 1.041 121.436 120.400 -0.009 0.000 2.144 47 D HA -0.148 4.492 4.640 0.000 0.000 0.199 47 D C 0.890 177.184 176.300 -0.011 0.000 0.984 47 D CA 1.375 55.368 54.000 -0.011 0.000 0.834 47 D CB -0.283 40.513 40.800 -0.007 0.000 0.955 47 D HN 0.625 nan 8.370 nan 0.000 0.465 48 D N -0.808 119.586 120.400 -0.010 0.000 2.355 48 D HA 0.103 4.743 4.640 0.000 0.000 0.253 48 D C 1.476 177.766 176.300 -0.017 0.000 1.187 48 D CA 0.728 54.720 54.000 -0.012 0.000 0.900 48 D CB -0.307 40.486 40.800 -0.010 0.000 0.915 48 D HN 0.233 nan 8.370 nan 0.000 0.516 49 G N -0.304 108.485 108.800 -0.019 0.000 2.284 49 G HA2 -0.322 3.639 3.960 0.000 0.000 0.247 49 G HA3 -0.322 3.639 3.960 0.000 0.000 0.247 49 G C 0.516 175.397 174.900 -0.031 0.000 1.012 49 G CA 0.332 45.418 45.100 -0.023 0.000 0.618 49 G HN 0.612 nan 8.290 nan 0.000 0.521 50 S N 0.010 115.689 115.700 -0.035 0.000 2.576 50 S HA 0.536 5.006 4.470 0.000 0.000 0.276 50 S C 0.224 174.788 174.600 -0.060 0.000 1.339 50 S CA -0.256 57.914 58.200 -0.050 0.000 1.039 50 S CB 2.534 65.700 63.200 -0.058 0.000 0.902 50 S HN 0.842 nan 8.310 nan 0.000 0.516 51 V N 2.671 122.542 119.914 -0.072 0.000 2.364 51 V HA 0.362 4.482 4.120 0.000 0.000 0.272 51 V C 0.213 176.223 176.094 -0.140 0.000 1.036 51 V CA -0.344 61.904 62.300 -0.087 0.000 0.880 51 V CB 0.801 32.582 31.823 -0.071 0.000 0.991 51 V HN 0.825 nan 8.190 nan 0.000 0.460 52 K N 3.934 124.215 120.400 -0.198 0.000 2.244 52 K HA 0.649 4.969 4.320 0.000 0.000 0.260 52 K C -0.869 175.462 176.600 -0.449 0.000 0.951 52 K CA -0.585 55.472 56.287 -0.383 0.000 0.826 52 K CB 1.991 34.144 32.500 -0.578 0.000 1.108 52 K HN 0.499 nan 8.250 nan 0.000 0.433 53 V N 5.353 125.011 119.914 -0.427 0.000 2.294 53 V HA 0.475 4.596 4.120 0.000 0.000 0.272 53 V C -1.085 174.787 176.094 -0.370 0.000 1.027 53 V CA -0.484 61.631 62.300 -0.308 0.000 0.823 53 V CB -0.262 31.465 31.823 -0.159 0.000 1.030 53 V HN 0.630 nan 8.190 nan 0.000 0.457 54 F N 3.105 122.989 119.950 -0.110 0.000 2.406 54 F HA 0.462 4.989 4.527 0.000 0.000 0.327 54 F C 1.346 177.059 175.800 -0.145 0.000 1.153 54 F CA -0.099 57.820 58.000 -0.135 0.000 1.218 54 F CB 1.077 39.971 39.000 -0.177 0.000 1.215 54 F HN 0.401 nan 8.300 nan 0.000 0.570 55 T N 1.588 116.149 114.554 0.013 0.000 2.743 55 T HA 0.507 4.857 4.350 0.000 0.000 0.293 55 T C 0.263 174.764 174.700 -0.332 0.000 0.945 55 T CA -0.538 61.446 62.100 -0.193 0.000 1.030 55 T CB 0.724 69.434 68.868 -0.264 0.000 0.912 55 T HN 0.811 nan 8.240 nan 0.000 0.483 56 G N 2.047 110.661 108.800 -0.310 0.000 2.448 56 G HA2 0.722 4.683 3.960 0.000 0.000 0.324 56 G HA3 0.722 4.683 3.960 0.000 0.000 0.324 56 G C -1.459 173.297 174.900 -0.240 0.000 1.203 56 G CA -0.608 44.409 45.100 -0.139 0.000 0.954 56 G HN 0.520 nan 8.290 nan 0.000 0.480 57 F N -0.191 119.919 119.950 0.266 0.000 2.563 57 F HA 0.783 5.310 4.527 0.000 0.000 0.316 57 F C 0.201 176.142 175.800 0.234 0.000 1.076 57 F CA -1.090 57.019 58.000 0.181 0.000 0.921 57 F CB 2.971 42.040 39.000 0.115 0.000 1.209 57 F HN 0.391 nan 8.300 nan 0.000 0.462 58 R N 1.346 122.050 120.500 0.341 0.000 2.514 58 R HA 0.751 5.091 4.340 0.000 0.000 0.296 58 R C -2.246 174.142 176.300 0.147 0.000 1.012 58 R CA -0.504 55.736 56.100 0.234 0.000 0.897 58 R CB 1.591 31.989 30.300 0.163 0.000 1.184 58 R HN 0.489 nan 8.270 nan 0.000 0.440 59 V N 5.032 125.012 119.914 0.109 0.000 2.417 59 V HA 0.466 4.586 4.120 0.000 0.000 0.291 59 V C -0.380 175.768 176.094 0.090 0.000 1.024 59 V CA -0.657 61.682 62.300 0.064 0.000 0.861 59 V CB 1.790 33.609 31.823 -0.006 0.000 0.985 59 V HN 0.683 nan 8.190 nan 0.000 0.436 60 Q N 2.977 122.858 119.800 0.134 0.000 2.456 60 Q HA 0.307 4.647 4.340 0.000 0.000 0.252 60 Q C 0.783 176.926 176.000 0.238 0.000 1.042 60 Q CA -0.424 55.509 55.803 0.218 0.000 0.766 60 Q CB 1.140 30.052 28.738 0.291 0.000 1.196 60 Q HN 0.870 nan 8.270 nan 0.000 0.504 61 H N 2.815 121.929 119.070 0.073 0.000 2.293 61 H HA -0.003 4.553 4.556 0.000 0.000 0.300 61 H C -0.088 175.242 175.328 0.003 0.000 1.082 61 H CA 1.139 57.186 56.048 -0.002 0.000 1.308 61 H CB 0.788 30.494 29.762 -0.094 0.000 1.375 61 H HN 0.478 nan 8.280 nan 0.000 0.495 62 N N -0.975 117.613 118.700 -0.188 0.000 2.554 62 N HA -0.032 4.708 4.740 0.000 0.000 0.271 62 N C -1.511 174.062 175.510 0.104 0.000 1.081 62 N CA -0.390 52.524 53.050 -0.226 0.000 0.994 62 N CB 0.666 38.942 38.487 -0.352 0.000 1.641 62 N HN 0.402 nan 8.380 nan 0.000 0.511 63 W N 3.546 125.013 121.300 0.278 0.000 2.570 63 W HA 0.619 5.279 4.660 0.000 0.000 0.410 63 W C 0.765 177.446 176.519 0.271 0.000 0.889 63 W CA -0.408 57.086 57.345 0.249 0.000 2.386 63 W CB -0.460 29.137 29.460 0.227 0.000 1.228 63 W HN 0.553 nan 8.180 nan 0.000 0.692 64 A N 1.552 124.451 122.820 0.132 0.000 1.972 64 A HA -0.116 4.204 4.320 0.000 0.000 0.219 64 A C 2.139 179.672 177.584 -0.085 0.000 1.169 64 A CA 1.213 53.088 52.037 -0.271 0.000 0.635 64 A CB -0.225 18.478 19.000 -0.494 0.000 0.810 64 A HN 0.344 nan 8.150 nan 0.000 0.446 65 R N -1.090 119.442 120.500 0.054 0.000 2.280 65 R HA 0.276 4.617 4.340 0.000 0.000 0.195 65 R C 0.777 177.164 176.300 0.146 0.000 0.935 65 R CA 0.830 56.972 56.100 0.070 0.000 1.033 65 R CB 0.197 30.543 30.300 0.076 0.000 0.964 65 R HN 0.571 nan 8.270 nan 0.000 0.489 66 G N 1.088 110.030 108.800 0.237 0.000 2.341 66 G HA2 0.022 3.982 3.960 0.000 0.000 0.293 66 G HA3 0.022 3.982 3.960 0.000 0.000 0.293 66 G C -3.130 171.960 174.900 0.317 0.000 1.298 66 G CA -1.107 44.169 45.100 0.293 0.000 0.868 66 G HN -0.245 nan 8.290 nan 0.000 0.540 67 P HA 0.260 nan 4.420 nan 0.000 0.269 67 P C 0.728 178.034 177.300 0.010 0.000 1.209 67 P CA 0.391 63.565 63.100 0.123 0.000 0.776 67 P CB 0.394 32.103 31.700 0.015 0.000 0.876 68 T N -0.173 114.392 114.554 0.018 0.000 2.930 68 T HA 0.308 4.658 4.350 0.000 0.000 0.306 68 T C -0.066 174.465 174.700 -0.282 0.000 1.045 68 T CA -0.298 61.773 62.100 -0.049 0.000 1.134 68 T CB 0.472 69.383 68.868 0.072 0.000 0.961 68 T HN 0.284 nan 8.240 nan 0.000 0.545 69 K N 0.860 121.047 120.400 -0.354 0.000 2.371 69 K HA 0.746 5.066 4.320 0.000 0.000 0.251 69 K C -0.364 176.097 176.600 -0.231 0.000 0.934 69 K CA -0.117 55.882 56.287 -0.481 0.000 0.798 69 K CB 1.728 33.717 32.500 -0.852 0.000 1.204 69 K HN 1.240 nan 8.250 nan 0.000 0.427 70 G N 0.885 109.578 108.800 -0.178 0.000 2.386 70 G HA2 0.399 4.359 3.960 0.000 0.000 0.302 70 G HA3 0.399 4.359 3.960 0.000 0.000 0.302 70 G C -0.660 174.204 174.900 -0.061 0.000 1.629 70 G CA -0.444 44.601 45.100 -0.091 0.000 0.917 70 G HN 0.744 nan 8.290 nan 0.000 0.676 71 G N -0.992 107.780 108.800 -0.047 0.000 2.634 71 G HA2 0.563 4.523 3.960 0.000 0.000 0.255 71 G HA3 0.563 4.523 3.960 0.000 0.000 0.255 71 G C -0.155 174.728 174.900 -0.028 0.000 1.205 71 G CA -0.554 44.516 45.100 -0.050 0.000 0.884 71 G HN 0.766 nan 8.290 nan 0.000 0.549 72 I N 0.110 120.639 120.570 -0.068 0.000 2.378 72 I HA 0.341 4.511 4.170 0.000 0.000 0.291 72 I C 0.137 176.194 176.117 -0.100 0.000 0.992 72 I CA -0.524 60.730 61.300 -0.078 0.000 1.154 72 I CB 1.961 39.858 38.000 -0.172 0.000 1.315 72 I HN 0.305 nan 8.210 nan 0.000 0.448 73 R N 5.033 125.550 120.500 0.027 0.000 2.265 73 R HA 0.355 4.695 4.340 0.000 0.000 0.319 73 R C -1.526 174.973 176.300 0.332 0.000 1.006 73 R CA -0.503 55.664 56.100 0.113 0.000 0.880 73 R CB 1.181 31.557 30.300 0.126 0.000 1.077 73 R HN 0.436 nan 8.270 nan 0.000 0.454 74 W N 4.229 125.583 121.300 0.091 0.000 2.283 74 W HA 0.304 4.964 4.660 0.000 0.000 0.317 74 W C 0.095 176.747 176.519 0.220 0.000 1.042 74 W CA -0.239 57.142 57.345 0.060 0.000 1.348 74 W CB 0.191 29.635 29.460 -0.025 0.000 1.216 74 W HN 0.436 nan 8.180 nan 0.000 0.404 75 H N 4.601 123.809 119.070 0.229 0.000 3.086 75 H HA 0.140 4.696 4.556 0.000 0.000 0.353 75 H C -1.916 173.488 175.328 0.126 0.000 1.134 75 H CA -1.523 54.658 56.048 0.222 0.000 1.248 75 H CB 3.230 33.133 29.762 0.236 0.000 1.878 75 H HN -0.028 nan 8.280 nan 0.000 0.527 76 P HA 0.030 nan 4.420 nan 0.000 0.229 76 P C 0.732 177.969 177.300 -0.104 0.000 1.160 76 P CA 0.862 63.828 63.100 -0.223 0.000 0.777 76 P CB 0.258 31.828 31.700 -0.216 0.000 0.814 77 A N -0.739 122.017 122.820 -0.106 0.000 2.308 77 A HA 0.062 4.383 4.320 0.000 0.000 0.217 77 A C 0.867 178.614 177.584 0.272 0.000 1.216 77 A CA 0.066 52.206 52.037 0.172 0.000 0.864 77 A CB -0.590 18.594 19.000 0.306 0.000 0.902 77 A HN -0.039 nan 8.150 nan 0.000 0.499 78 E N 2.338 122.731 120.200 0.323 0.000 2.694 78 E HA 0.063 4.413 4.350 0.000 0.000 0.250 78 E C 0.315 177.067 176.600 0.252 0.000 0.963 78 E CA 0.714 57.291 56.400 0.295 0.000 0.949 78 E CB 0.271 30.177 29.700 0.343 0.000 0.911 78 E HN 0.551 nan 8.360 nan 0.000 0.500 79 T N -0.246 114.394 114.554 0.144 0.000 2.940 79 T HA 0.286 4.636 4.350 0.000 0.000 0.288 79 T C 1.062 175.619 174.700 -0.239 0.000 1.033 79 T CA -0.969 61.159 62.100 0.047 0.000 1.033 79 T CB 1.300 70.183 68.868 0.026 0.000 1.079 79 T HN 0.244 nan 8.240 nan 0.000 0.496 80 L N 1.570 122.475 121.223 -0.530 0.000 2.079 80 L HA 0.003 4.343 4.340 0.000 0.000 0.210 80 L C 2.657 179.253 176.870 -0.456 0.000 1.081 80 L CA 2.177 56.477 54.840 -0.900 0.000 0.752 80 L CB -1.183 40.439 42.059 -0.728 0.000 0.896 80 L HN 0.902 nan 8.230 nan 0.000 0.433 81 S N -1.719 113.827 115.700 -0.256 0.000 2.382 81 S HA -0.191 4.280 4.470 0.000 0.000 0.228 81 S C 1.855 176.412 174.600 -0.072 0.000 1.027 81 S CA 1.791 59.905 58.200 -0.144 0.000 0.991 81 S CB -0.370 62.814 63.200 -0.027 0.000 0.823 81 S HN 0.689 nan 8.310 nan 0.000 0.469 82 T N 1.391 115.912 114.554 -0.054 0.000 2.777 82 T HA -0.021 4.329 4.350 0.000 0.000 0.266 82 T C 1.841 176.525 174.700 -0.027 0.000 1.040 82 T CA 1.421 63.525 62.100 0.007 0.000 1.141 82 T CB -0.414 68.483 68.868 0.050 0.000 0.868 82 T HN 0.279 nan 8.240 nan 0.000 0.444 83 V N 1.488 121.340 119.914 -0.104 0.000 2.407 83 V HA -0.165 3.955 4.120 0.000 0.000 0.248 83 V C 2.431 178.452 176.094 -0.122 0.000 1.055 83 V CA 1.526 63.770 62.300 -0.094 0.000 1.049 83 V CB -0.514 31.219 31.823 -0.150 0.000 0.662 83 V HN 0.448 nan 8.190 nan 0.000 0.455 84 K N 0.272 120.545 120.400 -0.212 0.000 2.057 84 K HA -0.097 4.223 4.320 0.000 0.000 0.207 84 K C 2.341 178.879 176.600 -0.103 0.000 1.049 84 K CA 1.460 57.594 56.287 -0.255 0.000 0.931 84 K CB -0.412 31.714 32.500 -0.624 0.000 0.714 84 K HN 0.469 nan 8.250 nan 0.000 0.440 85 A N 1.294 124.078 122.820 -0.060 0.000 1.898 85 A HA -0.116 4.204 4.320 0.000 0.000 0.216 85 A C 2.076 179.433 177.584 -0.378 0.000 1.181 85 A CA 1.231 53.084 52.037 -0.307 0.000 0.620 85 A CB -0.616 18.196 19.000 -0.313 0.000 0.819 85 A HN 0.161 nan 8.150 nan 0.000 0.442 86 L N -0.908 120.289 121.223 -0.044 0.000 2.201 86 L HA -0.131 4.209 4.340 0.000 0.000 0.212 86 L C 2.983 179.852 176.870 -0.001 0.000 1.105 86 L CA 0.794 55.700 54.840 0.111 0.000 0.775 86 L CB -0.529 41.598 42.059 0.114 0.000 0.913 86 L HN 0.444 nan 8.230 nan 0.000 0.440 87 A N -0.096 122.675 122.820 -0.082 0.000 1.872 87 A HA -0.151 4.169 4.320 0.000 0.000 0.214 87 A C 2.383 179.820 177.584 -0.244 0.000 1.187 87 A CA 2.051 54.037 52.037 -0.085 0.000 0.614 87 A CB -0.864 18.119 19.000 -0.028 0.000 0.826 87 A HN 0.318 nan 8.150 nan 0.000 0.442 88 T N -1.100 113.161 114.554 -0.488 0.000 2.665 88 T HA -0.202 4.148 4.350 0.000 0.000 0.268 88 T C 1.620 175.757 174.700 -0.939 0.000 1.035 88 T CA 1.436 62.907 62.100 -1.049 0.000 1.151 88 T CB -0.342 67.975 68.868 -0.918 0.000 0.862 88 T HN 0.633 nan 8.240 nan 0.000 0.438 89 W N 0.868 121.922 121.300 -0.411 0.000 2.363 89 W HA 0.072 4.732 4.660 0.000 0.000 0.296 89 W C 2.302 178.624 176.519 -0.328 0.000 1.212 89 W CA 0.411 57.584 57.345 -0.287 0.000 1.260 89 W CB -1.097 28.304 29.460 -0.097 0.000 1.131 89 W HN 0.274 nan 8.180 nan 0.000 0.530 90 M N 0.221 119.782 119.600 -0.063 0.000 2.229 90 M HA -0.135 4.345 4.480 0.000 0.000 0.264 90 M C 1.898 178.141 176.300 -0.096 0.000 1.063 90 M CA 1.752 57.024 55.300 -0.047 0.000 1.114 90 M CB -0.842 31.738 32.600 -0.033 0.000 1.387 90 M HN -0.269 nan 8.290 nan 0.000 0.420 91 T N -0.372 114.023 114.554 -0.266 0.000 2.759 91 T HA -0.200 4.150 4.350 0.000 0.000 0.269 91 T C 1.195 175.844 174.700 -0.086 0.000 1.042 91 T CA 2.044 63.990 62.100 -0.256 0.000 1.140 91 T CB -0.545 68.060 68.868 -0.438 0.000 0.864 91 T HN 0.658 nan 8.240 nan 0.000 0.455 92 W N 1.278 122.656 121.300 0.131 0.000 2.453 92 W HA 0.116 4.776 4.660 0.000 0.000 0.289 92 W C 2.487 179.089 176.519 0.139 0.000 1.215 92 W CA -0.186 57.223 57.345 0.108 0.000 1.297 92 W CB -0.101 29.353 29.460 -0.010 0.000 1.113 92 W HN 0.124 nan 8.180 nan 0.000 0.551 93 K N 0.685 121.231 120.400 0.244 0.000 2.026 93 K HA -0.186 4.134 4.320 0.000 0.000 0.208 93 K C 1.944 178.676 176.600 0.220 0.000 1.048 93 K CA 2.145 58.592 56.287 0.267 0.000 0.929 93 K CB -0.737 31.845 32.500 0.137 0.000 0.713 93 K HN 0.187 nan 8.250 nan 0.000 0.439 94 V N -1.816 118.194 119.914 0.159 0.000 2.667 94 V HA -0.011 4.109 4.120 0.000 0.000 0.252 94 V C 2.104 178.271 176.094 0.122 0.000 1.065 94 V CA 1.539 63.920 62.300 0.134 0.000 1.083 94 V CB -0.628 31.292 31.823 0.162 0.000 0.692 94 V HN 0.193 nan 8.190 nan 0.000 0.468 95 A N 0.065 122.997 122.820 0.185 0.000 1.970 95 A HA 0.013 4.333 4.320 0.000 0.000 0.216 95 A C 2.369 180.044 177.584 0.153 0.000 1.170 95 A CA 1.550 53.696 52.037 0.182 0.000 0.645 95 A CB -0.571 18.596 19.000 0.279 0.000 0.816 95 A HN 0.432 nan 8.150 nan 0.000 0.447 96 V N -0.673 119.355 119.914 0.191 0.000 2.490 96 V HA -0.111 4.009 4.120 0.000 0.000 0.250 96 V C 1.959 178.064 176.094 0.018 0.000 1.061 96 V CA 2.141 64.493 62.300 0.086 0.000 1.064 96 V CB 0.398 32.227 31.823 0.010 0.000 0.670 96 V HN 0.335 nan 8.190 nan 0.000 0.461 97 V N 0.275 120.211 119.914 0.036 0.000 3.271 97 V HA 0.298 4.418 4.120 0.000 0.000 0.327 97 V C 0.578 176.665 176.094 -0.011 0.000 1.389 97 V CA 0.775 63.082 62.300 0.012 0.000 1.156 97 V CB -0.810 31.023 31.823 0.016 0.000 1.103 97 V HN 0.927 nan 8.190 nan 0.000 0.453 98 D N 0.471 120.867 120.400 -0.006 0.000 2.705 98 D HA -0.190 4.450 4.640 0.000 0.000 0.240 98 D C -0.391 175.826 176.300 -0.137 0.000 1.137 98 D CA 0.753 54.733 54.000 -0.032 0.000 0.677 98 D CB -1.244 39.553 40.800 -0.005 0.000 1.049 98 D HN 0.494 nan 8.370 nan 0.000 0.427 99 L N 0.440 121.543 121.223 -0.200 0.000 2.325 99 L HA 0.467 4.807 4.340 0.000 0.000 0.279 99 L C -1.329 175.321 176.870 -0.367 0.000 1.054 99 L CA -1.907 52.633 54.840 -0.500 0.000 0.804 99 L CB 1.237 42.993 42.059 -0.505 0.000 1.200 99 L HN -0.029 nan 8.230 nan 0.000 0.436 100 P HA 0.078 nan 4.420 nan 0.000 0.238 100 P C -1.297 175.942 177.300 -0.101 0.000 1.714 100 P CA 0.292 63.278 63.100 -0.190 0.000 0.908 100 P CB -0.297 31.367 31.700 -0.060 0.000 1.893 101 Y N -0.433 119.816 120.300 -0.086 0.000 2.576 101 Y HA 0.639 5.189 4.550 0.000 0.000 0.346 101 Y C 1.047 176.948 175.900 0.002 0.000 1.018 101 Y CA -1.269 56.780 58.100 -0.086 0.000 1.050 101 Y CB 1.493 39.860 38.460 -0.155 0.000 1.280 101 Y HN 0.031 nan 8.280 nan 0.000 0.474 102 G N -0.471 108.448 108.800 0.198 0.000 2.795 102 G HA2 0.566 4.526 3.960 0.000 0.000 0.267 102 G HA3 0.566 4.526 3.960 0.000 0.000 0.267 102 G C -0.649 174.290 174.900 0.065 0.000 1.362 102 G CA -0.715 44.474 45.100 0.147 0.000 1.048 102 G HN 0.820 nan 8.290 nan 0.000 0.547 103 G N -1.594 107.243 108.800 0.062 0.000 2.415 103 G HA2 0.661 4.621 3.960 0.000 0.000 0.327 103 G HA3 0.661 4.621 3.960 0.000 0.000 0.327 103 G C -0.306 174.618 174.900 0.040 0.000 1.182 103 G CA 0.160 45.265 45.100 0.009 0.000 0.924 103 G HN 1.022 nan 8.290 nan 0.000 0.470 104 G N -0.029 108.767 108.800 -0.006 0.000 2.695 104 G HA2 0.690 4.650 3.960 0.000 0.000 0.290 104 G HA3 0.690 4.650 3.960 0.000 0.000 0.290 104 G C -1.616 173.287 174.900 0.004 0.000 1.410 104 G CA -0.772 44.339 45.100 0.018 0.000 0.844 104 G HN 0.701 nan 8.290 nan 0.000 0.478 105 K N -1.429 118.990 120.400 0.033 0.000 2.587 105 K HA 0.671 4.991 4.320 0.000 0.000 0.276 105 K C -0.430 176.229 176.600 0.098 0.000 0.956 105 K CA -0.017 56.296 56.287 0.043 0.000 0.857 105 K CB 2.014 34.531 32.500 0.028 0.000 1.431 105 K HN 1.173 nan 8.250 nan 0.000 0.420 106 G N -0.194 108.679 108.800 0.122 0.000 2.694 106 G HA2 0.798 4.758 3.960 0.000 0.000 0.290 106 G HA3 0.798 4.758 3.960 0.000 0.000 0.290 106 G C -1.091 173.921 174.900 0.187 0.000 1.386 106 G CA -0.520 44.709 45.100 0.216 0.000 0.872 106 G HN 0.758 nan 8.290 nan 0.000 0.475 107 G N -1.227 107.737 108.800 0.272 0.000 2.646 107 G HA2 0.552 4.512 3.960 0.000 0.000 0.291 107 G HA3 0.552 4.512 3.960 0.000 0.000 0.291 107 G C -1.655 173.372 174.900 0.212 0.000 1.445 107 G CA -0.690 44.553 45.100 0.239 0.000 0.814 107 G HN 0.664 nan 8.290 nan 0.000 0.495 108 I N 0.799 121.457 120.570 0.146 0.000 2.433 108 I HA 0.350 4.520 4.170 0.000 0.000 0.292 108 I C -0.078 176.028 176.117 -0.018 0.000 1.001 108 I CA -0.798 60.479 61.300 -0.039 0.000 1.119 108 I CB 2.212 40.005 38.000 -0.345 0.000 1.289 108 I HN 0.271 nan 8.210 nan 0.000 0.438 109 I N 7.159 127.722 120.570 -0.012 0.000 2.372 109 I HA 0.199 4.369 4.170 0.000 0.000 0.298 109 I C -0.279 175.812 176.117 -0.043 0.000 1.137 109 I CA 0.210 61.531 61.300 0.035 0.000 1.314 109 I CB 0.119 38.170 38.000 0.084 0.000 1.444 109 I HN 0.274 nan 8.210 nan 0.000 0.541 110 V N 6.004 125.822 119.914 -0.160 0.000 3.098 110 V HA 0.345 4.465 4.120 0.000 0.000 0.294 110 V C -1.199 174.738 176.094 -0.261 0.000 1.351 110 V CA -0.769 61.326 62.300 -0.342 0.000 0.999 110 V CB 2.547 33.801 31.823 -0.948 0.000 1.104 110 V HN 0.698 nan 8.190 nan 0.000 0.438 111 N N 6.971 125.537 118.700 -0.223 0.000 2.420 111 N HA 0.512 5.252 4.740 0.000 0.000 0.249 111 N C -1.753 173.572 175.510 -0.308 0.000 1.033 111 N CA -1.866 51.043 53.050 -0.235 0.000 0.944 111 N CB 1.786 40.189 38.487 -0.140 0.000 1.113 111 N HN 0.587 nan 8.380 nan 0.000 0.502 112 P HA 0.104 nan 4.420 nan 0.000 0.267 112 P C 0.918 178.025 177.300 -0.323 0.000 1.289 112 P CA 0.248 63.126 63.100 -0.370 0.000 0.866 112 P CB 0.270 31.805 31.700 -0.274 0.000 1.309 113 K N 1.147 121.325 120.400 -0.370 0.000 2.113 113 K HA -0.150 4.170 4.320 0.000 0.000 0.208 113 K C 1.692 178.253 176.600 -0.064 0.000 1.047 113 K CA 1.505 57.680 56.287 -0.188 0.000 0.928 113 K CB -1.066 31.391 32.500 -0.072 0.000 0.716 113 K HN 0.171 nan 8.250 nan 0.000 0.446 114 E N -0.644 119.518 120.200 -0.063 0.000 2.603 114 E HA 0.265 4.615 4.350 0.000 0.000 0.211 114 E C -0.390 176.200 176.600 -0.017 0.000 0.995 114 E CA -0.280 56.107 56.400 -0.022 0.000 0.990 114 E CB 0.046 29.738 29.700 -0.013 0.000 1.036 114 E HN 0.532 nan 8.360 nan 0.000 0.475 115 L N 2.559 123.760 121.223 -0.036 0.000 2.499 115 L HA 0.007 4.347 4.340 0.000 0.000 0.273 115 L C 1.103 177.987 176.870 0.023 0.000 1.195 115 L CA 0.002 54.829 54.840 -0.022 0.000 0.882 115 L CB 0.208 42.231 42.059 -0.060 0.000 1.133 115 L HN 0.039 nan 8.230 nan 0.000 0.483 116 S N 2.076 117.789 115.700 0.022 0.000 2.580 116 S HA 0.026 4.496 4.470 0.000 0.000 0.266 116 S C 1.036 175.678 174.600 0.071 0.000 1.354 116 S CA -0.736 57.487 58.200 0.040 0.000 1.008 116 S CB 1.014 64.225 63.200 0.019 0.000 0.898 116 S HN 0.585 nan 8.310 nan 0.000 0.555 117 E N 1.168 121.429 120.200 0.103 0.000 2.097 117 E HA -0.212 4.139 4.350 0.000 0.000 0.196 117 E C 2.070 178.674 176.600 0.008 0.000 1.000 117 E CA 1.460 57.962 56.400 0.171 0.000 0.804 117 E CB -0.394 29.424 29.700 0.197 0.000 0.740 117 E HN 0.802 nan 8.360 nan 0.000 0.454 118 R N 0.919 121.398 120.500 -0.034 0.000 2.081 118 R HA -0.126 4.214 4.340 0.000 0.000 0.235 118 R C 2.077 178.305 176.300 -0.121 0.000 1.131 118 R CA 1.572 57.605 56.100 -0.111 0.000 0.960 118 R CB 0.047 30.309 30.300 -0.064 0.000 0.856 118 R HN 0.172 nan 8.270 nan 0.000 0.436 119 E N -0.170 119.995 120.200 -0.058 0.000 2.150 119 E HA -0.202 4.148 4.350 0.000 0.000 0.193 119 E C 2.132 178.696 176.600 -0.059 0.000 0.985 119 E CA 0.981 57.349 56.400 -0.054 0.000 0.814 119 E CB 0.034 29.717 29.700 -0.030 0.000 0.752 119 E HN 0.467 nan 8.360 nan 0.000 0.466 120 Q N 0.687 120.496 119.800 0.015 0.000 2.046 120 Q HA -0.210 4.130 4.340 0.000 0.000 0.200 120 Q C 2.150 178.247 176.000 0.163 0.000 0.975 120 Q CA 1.380 57.315 55.803 0.219 0.000 0.836 120 Q CB 0.009 29.036 28.738 0.483 0.000 0.896 120 Q HN 0.254 nan 8.270 nan 0.000 0.428 121 E N 0.633 120.578 120.200 -0.425 0.000 2.110 121 E HA -0.207 4.143 4.350 0.000 0.000 0.193 121 E C 1.911 178.346 176.600 -0.275 0.000 0.988 121 E CA 0.929 56.833 56.400 -0.827 0.000 0.804 121 E CB 0.155 29.000 29.700 -1.425 0.000 0.745 121 E HN 0.205 nan 8.360 nan 0.000 0.458 122 R N -0.105 120.283 120.500 -0.187 0.000 2.081 122 R HA -0.130 4.210 4.340 0.000 0.000 0.235 122 R C 2.502 178.799 176.300 -0.005 0.000 1.131 122 R CA 1.126 57.177 56.100 -0.082 0.000 0.960 122 R CB -0.365 29.893 30.300 -0.070 0.000 0.856 122 R HN 0.228 nan 8.270 nan 0.000 0.436 123 L N 0.773 121.983 121.223 -0.022 0.000 2.072 123 L HA -0.011 4.329 4.340 0.000 0.000 0.205 123 L C 2.300 179.276 176.870 0.177 0.000 1.079 123 L CA 1.625 56.422 54.840 -0.071 0.000 0.752 123 L CB -0.577 41.187 42.059 -0.492 0.000 0.906 123 L HN 0.110 nan 8.230 nan 0.000 0.436 124 A N -0.192 122.892 122.820 0.440 0.000 1.873 124 A HA -0.263 4.058 4.320 0.000 0.000 0.218 124 A C 2.429 180.260 177.584 0.412 0.000 1.193 124 A CA 2.100 54.502 52.037 0.609 0.000 0.629 124 A CB -0.601 18.791 19.000 0.654 0.000 0.826 124 A HN 0.482 nan 8.150 nan 0.000 0.447 125 R N -0.774 119.880 120.500 0.257 0.000 2.081 125 R HA -0.070 4.270 4.340 0.000 0.000 0.235 125 R C 2.438 178.841 176.300 0.171 0.000 1.131 125 R CA 1.223 57.435 56.100 0.186 0.000 0.960 125 R CB -0.474 29.876 30.300 0.082 0.000 0.856 125 R HN 0.521 nan 8.270 nan 0.000 0.436 126 A N 0.193 123.102 122.820 0.148 0.000 2.015 126 A HA -0.186 4.134 4.320 0.000 0.000 0.219 126 A C 1.875 179.556 177.584 0.162 0.000 1.163 126 A CA 0.879 52.987 52.037 0.119 0.000 0.646 126 A CB -0.516 18.535 19.000 0.085 0.000 0.806 126 A HN 0.404 nan 8.150 nan 0.000 0.448 127 Y N 0.770 121.147 120.300 0.128 0.000 2.133 127 Y HA -0.186 4.364 4.550 0.000 0.000 0.287 127 Y C 2.052 178.052 175.900 0.167 0.000 1.134 127 Y CA 1.524 59.715 58.100 0.151 0.000 1.133 127 Y CB -0.162 38.440 38.460 0.237 0.000 0.987 127 Y HN 0.233 nan 8.280 nan 0.000 0.502 128 I N 0.580 121.256 120.570 0.176 0.000 2.208 128 I HA -0.314 3.856 4.170 0.000 0.000 0.245 128 I C 2.322 178.524 176.117 0.143 0.000 1.097 128 I CA 1.633 63.025 61.300 0.155 0.000 1.363 128 I CB -1.355 36.821 38.000 0.293 0.000 1.051 128 I HN 0.275 nan 8.210 nan 0.000 0.413 129 R N 0.535 121.105 120.500 0.116 0.000 2.193 129 R HA -0.078 4.263 4.340 0.000 0.000 0.229 129 R C 2.255 178.583 176.300 0.046 0.000 1.110 129 R CA 1.298 57.444 56.100 0.076 0.000 0.988 129 R CB -0.262 30.062 30.300 0.039 0.000 0.871 129 R HN 0.402 nan 8.270 nan 0.000 0.458 130 A N 0.494 123.312 122.820 -0.004 0.000 1.943 130 A HA -0.024 4.296 4.320 0.000 0.000 0.213 130 A C 1.972 179.517 177.584 -0.066 0.000 1.181 130 A CA 0.990 53.004 52.037 -0.040 0.000 0.653 130 A CB 0.087 19.050 19.000 -0.062 0.000 0.833 130 A HN 0.212 nan 8.150 nan 0.000 0.451 131 V N -3.730 116.094 119.914 -0.150 0.000 3.542 131 V HA 0.146 4.266 4.120 0.000 0.000 0.296 131 V C 1.714 177.802 176.094 -0.010 0.000 1.364 131 V CA 0.538 62.754 62.300 -0.140 0.000 1.118 131 V CB -1.405 30.216 31.823 -0.336 0.000 0.972 131 V HN 0.444 nan 8.190 nan 0.000 0.430 132 Y N 2.633 122.929 120.300 -0.006 0.000 2.139 132 Y HA -0.260 4.290 4.550 0.000 0.000 0.282 132 Y C 2.086 178.043 175.900 0.095 0.000 1.179 132 Y CA 2.492 60.648 58.100 0.093 0.000 1.161 132 Y CB -0.109 38.387 38.460 0.060 0.000 0.970 132 Y HN 0.375 nan 8.280 nan 0.000 0.511 133 D N -0.595 119.882 120.400 0.127 0.000 2.310 133 D HA -0.094 4.546 4.640 0.000 0.000 0.212 133 D C 1.680 177.960 176.300 -0.033 0.000 0.965 133 D CA 1.517 55.560 54.000 0.071 0.000 0.879 133 D CB -0.059 40.798 40.800 0.095 0.000 0.921 133 D HN 0.476 nan 8.370 nan 0.000 0.510 134 V N -1.411 118.466 119.914 -0.062 0.000 3.380 134 V HA 0.299 4.419 4.120 0.000 0.000 0.307 134 V C 0.572 176.600 176.094 -0.110 0.000 1.434 134 V CA -0.544 61.705 62.300 -0.085 0.000 1.075 134 V CB -0.660 31.128 31.823 -0.059 0.000 0.954 134 V HN 0.030 nan 8.190 nan 0.000 0.444 135 I N -1.849 118.642 120.570 -0.133 0.000 3.170 135 I HA 1.095 5.265 4.170 0.000 0.000 0.312 135 I C 0.081 176.084 176.117 -0.190 0.000 1.085 135 I CA -0.602 60.603 61.300 -0.157 0.000 0.999 135 I CB 2.025 39.933 38.000 -0.154 0.000 1.233 135 I HN 0.249 nan 8.210 nan 0.000 0.467 136 G N 1.946 110.598 108.800 -0.247 0.000 2.350 136 G HA2 0.233 4.193 3.960 0.000 0.000 0.305 136 G HA3 0.233 4.193 3.960 0.000 0.000 0.305 136 G C -3.033 171.811 174.900 -0.093 0.000 1.479 136 G CA -0.564 44.416 45.100 -0.200 0.000 0.949 136 G HN 0.383 nan 8.290 nan 0.000 0.651 137 P HA 0.057 nan 4.420 nan 0.000 0.225 137 P C 0.593 177.855 177.300 -0.064 0.000 1.148 137 P CA 1.264 64.380 63.100 0.027 0.000 0.779 137 P CB 0.115 31.824 31.700 0.014 0.000 0.780 138 W N -2.136 119.308 121.300 0.241 0.000 2.684 138 W HA 0.213 4.873 4.660 0.000 0.000 0.381 138 W C 1.143 177.724 176.519 0.104 0.000 0.975 138 W CA 0.112 57.605 57.345 0.246 0.000 1.789 138 W CB 0.051 29.633 29.460 0.203 0.000 1.161 138 W HN -0.192 nan 8.180 nan 0.000 0.564 139 T N -1.708 112.924 114.554 0.131 0.000 3.138 139 T HA 0.066 4.416 4.350 0.000 0.000 0.245 139 T C -0.570 174.080 174.700 -0.084 0.000 0.982 139 T CA 0.471 62.564 62.100 -0.011 0.000 1.134 139 T CB 0.474 69.303 68.868 -0.064 0.000 1.032 139 T HN -0.241 nan 8.240 nan 0.000 0.442 140 D N 0.170 120.502 120.400 -0.112 0.000 2.614 140 D HA 0.305 4.945 4.640 0.000 0.000 0.203 140 D C -1.904 174.291 176.300 -0.175 0.000 1.312 140 D CA -0.373 53.542 54.000 -0.141 0.000 0.889 140 D CB 0.656 41.394 40.800 -0.103 0.000 1.615 140 D HN 0.141 nan 8.370 nan 0.000 0.567 141 I N 5.286 125.711 120.570 -0.242 0.000 2.371 141 I HA 0.373 4.544 4.170 0.000 0.000 0.282 141 I C -2.142 173.858 176.117 -0.195 0.000 1.031 141 I CA -1.681 59.473 61.300 -0.244 0.000 1.180 141 I CB 1.667 39.437 38.000 -0.383 0.000 1.336 141 I HN 0.117 nan 8.210 nan 0.000 0.467 142 P HA 0.585 nan 4.420 nan 0.000 0.297 142 P C -0.707 176.546 177.300 -0.078 0.000 1.303 142 P CA -0.411 62.651 63.100 -0.064 0.000 0.753 142 P CB 0.836 32.548 31.700 0.019 0.000 1.281 143 A N -1.715 121.063 122.820 -0.070 0.000 2.540 143 A HA 0.633 4.953 4.320 0.000 0.000 0.291 143 A C -3.000 174.520 177.584 -0.108 0.000 1.083 143 A CA -1.214 50.772 52.037 -0.085 0.000 0.650 143 A CB 0.200 19.151 19.000 -0.082 0.000 1.292 143 A HN 0.219 nan 8.150 nan 0.000 0.435 144 P HA 0.393 nan 4.420 nan 0.000 0.272 144 P C -0.610 176.611 177.300 -0.132 0.000 1.223 144 P CA 0.314 63.321 63.100 -0.156 0.000 0.784 144 P CB 0.862 32.473 31.700 -0.148 0.000 0.923 145 D N 0.115 120.425 120.400 -0.151 0.000 3.966 145 D HA 0.127 4.767 4.640 0.000 0.000 0.310 145 D C -0.810 175.421 176.300 -0.115 0.000 1.536 145 D CA -0.294 53.639 54.000 -0.112 0.000 0.980 145 D CB 1.065 41.817 40.800 -0.081 0.000 1.397 145 D HN -0.073 nan 8.370 nan 0.000 0.643 146 V N 2.607 122.469 119.914 -0.086 0.000 2.458 146 V HA -0.029 4.091 4.120 0.000 0.000 0.287 146 V C 0.125 176.248 176.094 0.049 0.000 1.009 146 V CA 0.804 63.051 62.300 -0.088 0.000 1.091 146 V CB -0.717 31.051 31.823 -0.091 0.000 0.960 146 V HN 0.646 nan 8.190 nan 0.000 0.476 147 Y N 1.883 122.162 120.300 -0.036 0.000 4.894 147 Y HA -0.240 4.310 4.550 0.000 0.000 0.270 147 Y C 1.158 176.954 175.900 -0.173 0.000 0.930 147 Y CA 1.148 59.240 58.100 -0.014 0.000 1.814 147 Y CB -2.036 36.506 38.460 0.138 0.000 1.235 147 Y HN 0.833 nan 8.280 nan 0.000 0.480 148 T N -0.237 114.205 114.554 -0.187 0.000 2.925 148 T HA 0.734 5.084 4.350 0.000 0.000 0.285 148 T C 0.005 174.543 174.700 -0.271 0.000 1.021 148 T CA 0.015 61.856 62.100 -0.431 0.000 1.042 148 T CB 2.890 71.351 68.868 -0.678 0.000 1.037 148 T HN 0.400 nan 8.240 nan 0.000 0.481 149 N N 0.317 118.846 118.700 -0.285 0.000 3.243 149 N HA 0.491 5.231 4.740 0.000 0.000 0.280 149 N C -2.780 172.584 175.510 -0.244 0.000 1.545 149 N CA -2.019 50.900 53.050 -0.218 0.000 0.854 149 N CB 0.243 38.622 38.487 -0.179 0.000 1.612 149 N HN 0.194 nan 8.380 nan 0.000 0.577 150 P HA -0.194 nan 4.420 nan 0.000 0.216 150 P C 1.039 178.152 177.300 -0.312 0.000 1.150 150 P CA 1.708 64.673 63.100 -0.225 0.000 0.837 150 P CB 0.233 31.822 31.700 -0.184 0.000 0.786 151 K N 0.080 120.245 120.400 -0.392 0.000 2.032 151 K HA -0.164 4.156 4.320 0.000 0.000 0.209 151 K C 1.943 177.992 176.600 -0.919 0.000 1.048 151 K CA 1.611 57.505 56.287 -0.655 0.000 0.927 151 K CB -0.606 31.500 32.500 -0.656 0.000 0.712 151 K HN 0.075 nan 8.250 nan 0.000 0.441 152 I N 0.869 121.055 120.570 -0.640 0.000 2.394 152 I HA -0.257 3.913 4.170 0.000 0.000 0.251 152 I C 2.319 178.338 176.117 -0.163 0.000 1.136 152 I CA 0.589 61.682 61.300 -0.345 0.000 1.425 152 I CB -0.179 37.611 38.000 -0.349 0.000 1.079 152 I HN 0.261 nan 8.210 nan 0.000 0.425 153 M N 0.400 119.871 119.600 -0.216 0.000 2.117 153 M HA -0.093 4.387 4.480 0.000 0.000 0.262 153 M C 2.463 178.718 176.300 -0.076 0.000 1.065 153 M CA 1.791 57.019 55.300 -0.121 0.000 1.114 153 M CB -1.901 30.612 32.600 -0.145 0.000 1.361 153 M HN 0.301 nan 8.290 nan 0.000 0.408 154 G N -0.566 108.134 108.800 -0.166 0.000 2.440 154 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 154 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 154 G C 1.243 176.198 174.900 0.093 0.000 1.154 154 G CA 0.472 45.506 45.100 -0.109 0.000 0.767 154 G HN 0.393 nan 8.290 nan 0.000 0.552 155 W N 0.630 121.948 121.300 0.030 0.000 2.363 155 W HA 0.101 4.761 4.660 0.000 0.000 0.296 155 W C 2.728 179.311 176.519 0.107 0.000 1.212 155 W CA 0.590 57.977 57.345 0.070 0.000 1.260 155 W CB -0.932 28.578 29.460 0.084 0.000 1.131 155 W HN 0.217 nan 8.180 nan 0.000 0.530 156 M N -0.735 119.071 119.600 0.344 0.000 2.099 156 M HA -0.218 4.262 4.480 0.000 0.000 0.262 156 M C 2.342 178.802 176.300 0.267 0.000 1.067 156 M CA 1.425 56.899 55.300 0.290 0.000 1.124 156 M CB -0.889 31.851 32.600 0.235 0.000 1.353 156 M HN -0.153 nan 8.290 nan 0.000 0.410 157 M N 0.978 120.700 119.600 0.203 0.000 2.073 157 M HA -0.275 4.205 4.480 0.000 0.000 0.258 157 M C 1.453 177.930 176.300 0.295 0.000 1.070 157 M CA 2.373 57.807 55.300 0.224 0.000 1.103 157 M CB -0.967 31.706 32.600 0.122 0.000 1.321 157 M HN 0.226 nan 8.290 nan 0.000 0.405 158 D N -0.343 120.206 120.400 0.248 0.000 2.133 158 D HA -0.251 4.389 4.640 0.000 0.000 0.195 158 D C 1.830 178.261 176.300 0.218 0.000 0.997 158 D CA 1.935 56.075 54.000 0.234 0.000 0.840 158 D CB -0.046 40.886 40.800 0.219 0.000 0.947 158 D HN 0.483 nan 8.370 nan 0.000 0.452 159 E N -1.257 119.083 120.200 0.233 0.000 2.106 159 E HA -0.186 4.164 4.350 0.000 0.000 0.192 159 E C 1.799 178.533 176.600 0.224 0.000 0.984 159 E CA 0.870 57.387 56.400 0.195 0.000 0.806 159 E CB -0.528 29.294 29.700 0.202 0.000 0.750 159 E HN 0.529 nan 8.360 nan 0.000 0.458 160 Y N 1.265 121.692 120.300 0.212 0.000 2.145 160 Y HA -0.147 4.403 4.550 0.000 0.000 0.286 160 Y C 2.211 178.267 175.900 0.260 0.000 1.145 160 Y CA 2.291 60.563 58.100 0.287 0.000 1.148 160 Y CB -0.210 38.395 38.460 0.243 0.000 0.981 160 Y HN 0.127 nan 8.280 nan 0.000 0.507 161 E N -0.976 119.392 120.200 0.280 0.000 2.118 161 E HA -0.217 4.133 4.350 0.000 0.000 0.195 161 E C 1.915 178.542 176.600 0.046 0.000 0.992 161 E CA 1.843 58.346 56.400 0.171 0.000 0.804 161 E CB -0.103 29.735 29.700 0.230 0.000 0.741 161 E HN 0.485 nan 8.360 nan 0.000 0.458 162 T N 0.798 115.381 114.554 0.048 0.000 2.821 162 T HA -0.063 4.287 4.350 0.000 0.000 0.267 162 T C 1.835 176.484 174.700 -0.086 0.000 1.046 162 T CA 0.929 63.028 62.100 -0.002 0.000 1.139 162 T CB -0.031 68.849 68.868 0.020 0.000 0.871 162 T HN 0.186 nan 8.240 nan 0.000 0.454 163 I N 0.527 120.997 120.570 -0.166 0.000 2.406 163 I HA 0.019 4.189 4.170 0.000 0.000 0.249 163 I C 2.394 178.284 176.117 -0.377 0.000 1.122 163 I CA 0.835 61.914 61.300 -0.368 0.000 1.431 163 I CB -0.261 37.327 38.000 -0.687 0.000 1.087 163 I HN 0.227 nan 8.210 nan 0.000 0.424 164 M N 0.822 120.256 119.600 -0.278 0.000 2.557 164 M HA -0.046 4.434 4.480 0.000 0.000 0.259 164 M C 0.106 176.371 176.300 -0.059 0.000 1.086 164 M CA 0.887 56.104 55.300 -0.138 0.000 1.096 164 M CB 0.042 32.508 32.600 -0.223 0.000 1.424 164 M HN 0.174 nan 8.290 nan 0.000 0.488 165 R N 1.033 121.495 120.500 -0.064 0.000 3.525 165 R HA -0.196 4.144 4.340 0.000 0.000 0.276 165 R C -0.190 176.110 176.300 0.000 0.000 1.116 165 R CA 0.952 57.035 56.100 -0.028 0.000 0.745 165 R CB -3.212 27.070 30.300 -0.030 0.000 1.185 165 R HN 0.634 nan 8.270 nan 0.000 0.454 166 R N -0.909 119.601 120.500 0.016 0.000 3.741 166 R HA -0.229 4.111 4.340 0.000 0.000 0.292 166 R C 0.934 177.252 176.300 0.029 0.000 1.176 166 R CA 1.552 57.669 56.100 0.027 0.000 0.794 166 R CB -0.620 29.688 30.300 0.014 0.000 1.213 166 R HN 0.271 nan 8.270 nan 0.000 0.494 167 K N -0.283 120.142 120.400 0.042 0.000 2.418 167 K HA 0.128 4.448 4.320 0.000 0.000 0.195 167 K C 1.226 177.867 176.600 0.068 0.000 1.035 167 K CA 1.216 57.531 56.287 0.046 0.000 1.003 167 K CB 0.711 33.239 32.500 0.045 0.000 0.793 167 K HN 0.425 nan 8.250 nan 0.000 0.494 168 G N 1.459 110.318 108.800 0.097 0.000 2.921 168 G HA2 0.339 4.299 3.960 0.000 0.000 0.291 168 G HA3 0.339 4.299 3.960 0.000 0.000 0.291 168 G C -2.800 172.170 174.900 0.117 0.000 1.370 168 G CA -0.832 44.344 45.100 0.127 0.000 0.847 168 G HN -0.193 nan 8.290 nan 0.000 0.532 169 P HA 0.308 nan 4.420 nan 0.000 0.244 169 P C 0.649 178.034 177.300 0.142 0.000 1.769 169 P CA 0.121 63.267 63.100 0.078 0.000 1.102 169 P CB 0.723 32.453 31.700 0.049 0.000 1.937 170 A N 2.061 124.992 122.820 0.186 0.000 1.969 170 A HA -0.139 4.181 4.320 0.000 0.000 0.218 170 A C 1.643 179.453 177.584 0.376 0.000 1.169 170 A CA 0.815 53.063 52.037 0.351 0.000 0.635 170 A CB -1.133 18.099 19.000 0.387 0.000 0.810 170 A HN 0.210 nan 8.150 nan 0.000 0.445 171 F N 0.624 120.644 119.950 0.115 0.000 2.154 171 F HA -0.122 4.405 4.527 0.000 0.000 0.301 171 F C 2.440 178.270 175.800 0.051 0.000 1.087 171 F CA 0.720 58.770 58.000 0.082 0.000 1.274 171 F CB -1.272 37.782 39.000 0.089 0.000 1.009 171 F HN 0.294 nan 8.300 nan 0.000 0.485 172 G N -1.146 107.785 108.800 0.219 0.000 2.956 172 G HA2 0.058 4.018 3.960 0.000 0.000 0.207 172 G HA3 0.058 4.018 3.960 0.000 0.000 0.207 172 G C 1.596 176.578 174.900 0.137 0.000 1.162 172 G CA 0.587 45.762 45.100 0.125 0.000 0.796 172 G HN 0.318 nan 8.290 nan 0.000 0.527 173 V N -0.381 119.547 119.914 0.022 0.000 3.129 173 V HA 0.473 4.593 4.120 0.000 0.000 0.259 173 V C 0.563 176.580 176.094 -0.129 0.000 1.116 173 V CA 0.747 62.933 62.300 -0.190 0.000 1.127 173 V CB -0.157 31.285 31.823 -0.635 0.000 0.742 173 V HN 0.276 nan 8.190 nan 0.000 0.474 174 I N -0.326 120.226 120.570 -0.030 0.000 2.787 174 I HA 0.396 4.566 4.170 0.000 0.000 0.294 174 I C -0.287 175.824 176.117 -0.011 0.000 1.365 174 I CA -0.135 61.143 61.300 -0.036 0.000 1.029 174 I CB 2.370 40.351 38.000 -0.032 0.000 1.313 174 I HN 0.202 nan 8.210 nan 0.000 0.431 175 T N 1.504 116.041 114.554 -0.028 0.000 2.938 175 T HA 0.724 5.074 4.350 0.000 0.000 0.285 175 T C 0.633 175.299 174.700 -0.058 0.000 1.028 175 T CA -0.016 62.072 62.100 -0.020 0.000 1.005 175 T CB 1.630 70.504 68.868 0.008 0.000 1.157 175 T HN 1.467 nan 8.240 nan 0.000 0.550 176 G N 0.513 109.275 108.800 -0.062 0.000 2.132 176 G HA2 -0.189 3.771 3.960 0.000 0.000 0.228 176 G HA3 -0.189 3.771 3.960 0.000 0.000 0.228 176 G C -0.151 174.678 174.900 -0.119 0.000 1.000 176 G CA 0.040 45.086 45.100 -0.089 0.000 0.693 176 G HN 0.871 nan 8.290 nan 0.000 0.515 177 K N 0.618 120.944 120.400 -0.124 0.000 2.154 177 K HA 0.470 4.790 4.320 0.000 0.000 0.264 177 K C -2.183 174.310 176.600 -0.179 0.000 1.008 177 K CA -1.859 54.325 56.287 -0.171 0.000 0.937 177 K CB 0.841 33.213 32.500 -0.213 0.000 1.002 177 K HN 0.023 nan 8.250 nan 0.000 0.469 178 P HA -0.066 nan 4.420 nan 0.000 0.268 178 P C 0.409 177.588 177.300 -0.201 0.000 1.208 178 P CA -0.214 62.776 63.100 -0.184 0.000 0.777 178 P CB 0.417 32.006 31.700 -0.185 0.000 0.875 179 L N 2.200 123.322 121.223 -0.168 0.000 2.131 179 L HA -0.176 4.164 4.340 0.000 0.000 0.210 179 L C 2.274 179.013 176.870 -0.219 0.000 1.092 179 L CA 2.193 56.923 54.840 -0.183 0.000 0.759 179 L CB -1.815 40.163 42.059 -0.135 0.000 0.903 179 L HN 0.436 nan 8.230 nan 0.000 0.435 180 S N -0.288 115.304 115.700 -0.180 0.000 2.447 180 S HA -0.085 4.385 4.470 0.000 0.000 0.233 180 S C 1.209 175.697 174.600 -0.187 0.000 1.006 180 S CA 0.887 58.997 58.200 -0.151 0.000 0.957 180 S CB -0.601 62.539 63.200 -0.100 0.000 0.773 180 S HN 0.519 nan 8.310 nan 0.000 0.507 181 I N -3.463 116.918 120.570 -0.315 0.000 2.976 181 I HA 0.773 4.943 4.170 0.000 0.000 0.328 181 I C 0.753 176.221 176.117 -1.081 0.000 1.396 181 I CA -0.346 60.590 61.300 -0.608 0.000 0.869 181 I CB 0.331 38.022 38.000 -0.516 0.000 2.156 181 I HN 0.238 nan 8.210 nan 0.000 0.595 182 G N 1.264 109.670 108.800 -0.657 0.000 2.157 182 G HA2 -0.187 3.773 3.960 0.000 0.000 0.239 182 G HA3 -0.187 3.773 3.960 0.000 0.000 0.239 182 G C 0.533 175.330 174.900 -0.172 0.000 0.982 182 G CA -0.328 44.553 45.100 -0.364 0.000 0.650 182 G HN 0.953 nan 8.290 nan 0.000 0.527 183 G N -0.244 108.408 108.800 -0.246 0.000 2.606 183 G HA2 0.534 4.494 3.960 0.000 0.000 0.252 183 G HA3 0.534 4.494 3.960 0.000 0.000 0.252 183 G C 0.241 175.096 174.900 -0.075 0.000 1.206 183 G CA 0.895 45.911 45.100 -0.140 0.000 0.861 183 G HN 1.114 nan 8.290 nan 0.000 0.561 184 S N -0.466 115.212 115.700 -0.037 0.000 2.549 184 S HA 0.549 5.019 4.470 0.000 0.000 0.297 184 S C 0.382 174.978 174.600 -0.008 0.000 1.115 184 S CA -0.827 57.369 58.200 -0.008 0.000 1.059 184 S CB 0.518 63.716 63.200 -0.005 0.000 1.046 184 S HN 0.431 nan 8.310 nan 0.000 0.506 185 L N 3.085 124.319 121.223 0.017 0.000 2.464 185 L HA 0.397 4.737 4.340 0.000 0.000 0.264 185 L C 1.709 178.614 176.870 0.059 0.000 1.199 185 L CA 0.538 55.396 54.840 0.029 0.000 0.818 185 L CB 0.110 42.199 42.059 0.051 0.000 1.102 185 L HN 1.077 nan 8.230 nan 0.000 0.473 186 G N 0.789 109.608 108.800 0.032 0.000 2.179 186 G HA2 -0.308 3.652 3.960 0.000 0.000 0.260 186 G HA3 -0.308 3.652 3.960 0.000 0.000 0.260 186 G C 1.160 176.060 174.900 -0.001 0.000 0.977 186 G CA 0.631 45.753 45.100 0.036 0.000 0.641 186 G HN 0.738 nan 8.290 nan 0.000 0.533 187 R N 0.446 120.935 120.500 -0.018 0.000 2.093 187 R HA 0.111 4.451 4.340 0.000 0.000 0.224 187 R C 2.779 179.036 176.300 -0.072 0.000 1.101 187 R CA 1.945 58.023 56.100 -0.036 0.000 0.979 187 R CB -0.680 29.597 30.300 -0.037 0.000 0.877 187 R HN 0.408 nan 8.270 nan 0.000 0.441 188 G N -0.426 108.314 108.800 -0.099 0.000 2.404 188 G HA2 -0.240 3.720 3.960 0.000 0.000 0.215 188 G HA3 -0.240 3.720 3.960 0.000 0.000 0.215 188 G C 1.269 176.036 174.900 -0.222 0.000 1.174 188 G CA 1.185 46.208 45.100 -0.129 0.000 0.780 188 G HN 0.506 nan 8.290 nan 0.000 0.537 189 T N -1.527 112.828 114.554 -0.333 0.000 3.188 189 T HA 0.594 4.944 4.350 0.000 0.000 0.250 189 T C 2.106 176.668 174.700 -0.230 0.000 1.077 189 T CA 0.928 62.755 62.100 -0.454 0.000 0.967 189 T CB 0.619 69.113 68.868 -0.623 0.000 1.006 189 T HN 0.262 nan 8.240 nan 0.000 0.552 190 A N 2.273 125.012 122.820 -0.136 0.000 1.855 190 A HA -0.019 4.301 4.320 0.000 0.000 0.215 190 A C 2.534 180.077 177.584 -0.069 0.000 1.191 190 A CA 1.979 53.973 52.037 -0.072 0.000 0.613 190 A CB -1.512 17.463 19.000 -0.042 0.000 0.829 190 A HN 0.514 nan 8.150 nan 0.000 0.442 191 T N 0.506 115.021 114.554 -0.064 0.000 2.665 191 T HA -0.141 4.209 4.350 0.000 0.000 0.268 191 T C 2.181 176.839 174.700 -0.069 0.000 1.035 191 T CA 2.051 64.121 62.100 -0.050 0.000 1.151 191 T CB -0.520 68.327 68.868 -0.036 0.000 0.862 191 T HN 0.613 nan 8.240 nan 0.000 0.438 192 A N 0.938 123.706 122.820 -0.087 0.000 1.872 192 A HA -0.090 4.230 4.320 0.000 0.000 0.214 192 A C 2.286 179.764 177.584 -0.178 0.000 1.187 192 A CA 1.808 53.785 52.037 -0.100 0.000 0.614 192 A CB -0.743 18.225 19.000 -0.053 0.000 0.826 192 A HN 0.429 nan 8.150 nan 0.000 0.442 193 Q N 0.163 119.831 119.800 -0.220 0.000 2.124 193 Q HA -0.048 4.292 4.340 0.000 0.000 0.202 193 Q C 1.884 177.596 176.000 -0.481 0.000 0.977 193 Q CA 2.216 57.799 55.803 -0.367 0.000 0.850 193 Q CB -1.022 27.561 28.738 -0.258 0.000 0.901 193 Q HN 0.487 nan 8.270 nan 0.000 0.429 194 G N -0.289 108.397 108.800 -0.191 0.000 2.422 194 G HA2 -0.168 3.792 3.960 0.000 0.000 0.218 194 G HA3 -0.168 3.792 3.960 0.000 0.000 0.218 194 G C 1.452 176.310 174.900 -0.071 0.000 1.146 194 G CA 0.853 45.930 45.100 -0.039 0.000 0.769 194 G HN 0.523 nan 8.290 nan 0.000 0.547 195 A N 0.599 123.349 122.820 -0.116 0.000 1.930 195 A HA 0.093 4.413 4.320 0.000 0.000 0.217 195 A C 2.261 179.763 177.584 -0.137 0.000 1.175 195 A CA 1.189 53.170 52.037 -0.094 0.000 0.627 195 A CB -0.301 18.651 19.000 -0.080 0.000 0.815 195 A HN 0.263 nan 8.150 nan 0.000 0.443 196 I N -1.021 119.405 120.570 -0.240 0.000 2.454 196 I HA -0.185 3.985 4.170 0.000 0.000 0.254 196 I C 1.938 177.940 176.117 -0.192 0.000 1.156 196 I CA 1.002 62.147 61.300 -0.258 0.000 1.433 196 I CB -0.620 37.170 38.000 -0.349 0.000 1.082 196 I HN 0.305 nan 8.210 nan 0.000 0.432 197 F N 0.333 120.256 119.950 -0.045 0.000 2.163 197 F HA -0.136 4.391 4.527 0.000 0.000 0.297 197 F C 2.825 178.558 175.800 -0.111 0.000 1.094 197 F CA 1.570 59.544 58.000 -0.044 0.000 1.290 197 F CB -1.858 37.144 39.000 0.003 0.000 1.017 197 F HN 0.179 nan 8.300 nan 0.000 0.483 198 T N -1.398 113.182 114.554 0.044 0.000 2.867 198 T HA -0.155 4.195 4.350 0.000 0.000 0.268 198 T C 2.128 176.609 174.700 -0.365 0.000 1.057 198 T CA 1.257 63.252 62.100 -0.176 0.000 1.136 198 T CB -0.931 67.912 68.868 -0.040 0.000 0.874 198 T HN 0.235 nan 8.240 nan 0.000 0.466 199 I N 0.968 121.417 120.570 -0.200 0.000 2.226 199 I HA -0.117 4.054 4.170 0.000 0.000 0.245 199 I C 3.131 179.128 176.117 -0.200 0.000 1.100 199 I CA 1.345 62.529 61.300 -0.193 0.000 1.374 199 I CB -0.339 37.591 38.000 -0.117 0.000 1.057 199 I HN 0.189 nan 8.210 nan 0.000 0.413 200 R N 0.634 121.057 120.500 -0.127 0.000 2.075 200 R HA -0.167 4.174 4.340 0.000 0.000 0.232 200 R C 2.114 178.339 176.300 -0.126 0.000 1.126 200 R CA 1.328 57.386 56.100 -0.070 0.000 0.963 200 R CB 0.005 30.331 30.300 0.044 0.000 0.858 200 R HN 0.250 nan 8.270 nan 0.000 0.435 201 E N 0.228 120.281 120.200 -0.244 0.000 2.152 201 E HA -0.101 4.249 4.350 0.000 0.000 0.192 201 E C 1.761 177.932 176.600 -0.715 0.000 0.983 201 E CA 1.084 57.299 56.400 -0.309 0.000 0.818 201 E CB -0.135 29.352 29.700 -0.356 0.000 0.758 201 E HN 0.423 nan 8.360 nan 0.000 0.467 202 A N 1.550 123.745 122.820 -1.042 0.000 1.873 202 A HA -0.048 4.272 4.320 0.000 0.000 0.215 202 A C 2.447 179.860 177.584 -0.284 0.000 1.186 202 A CA 1.936 53.508 52.037 -0.774 0.000 0.616 202 A CB -0.667 18.005 19.000 -0.546 0.000 0.823 202 A HN 0.257 nan 8.150 nan 0.000 0.442 203 A N -0.300 122.399 122.820 -0.202 0.000 1.892 203 A HA -0.236 4.084 4.320 0.000 0.000 0.218 203 A C 2.159 179.726 177.584 -0.028 0.000 1.188 203 A CA 2.073 54.060 52.037 -0.083 0.000 0.631 203 A CB -0.521 18.441 19.000 -0.064 0.000 0.822 203 A HN 0.515 nan 8.150 nan 0.000 0.447 204 K N -0.740 119.658 120.400 -0.003 0.000 2.009 204 K HA -0.136 4.184 4.320 0.000 0.000 0.210 204 K C 2.334 179.023 176.600 0.148 0.000 1.049 204 K CA 1.212 57.555 56.287 0.093 0.000 0.929 204 K CB -0.366 32.250 32.500 0.193 0.000 0.714 204 K HN 0.444 nan 8.250 nan 0.000 0.440 205 A N 0.801 123.726 122.820 0.175 0.000 1.948 205 A HA -0.173 4.147 4.320 0.000 0.000 0.220 205 A C 1.865 179.490 177.584 0.068 0.000 1.177 205 A CA 1.418 53.510 52.037 0.092 0.000 0.636 205 A CB -0.322 18.370 19.000 -0.513 0.000 0.815 205 A HN 0.201 nan 8.150 nan 0.000 0.449 206 L N -1.675 119.576 121.223 0.046 0.000 2.509 206 L HA 0.256 4.596 4.340 0.000 0.000 0.222 206 L C 1.765 178.669 176.870 0.058 0.000 1.123 206 L CA 1.218 56.100 54.840 0.070 0.000 0.856 206 L CB -0.384 41.703 42.059 0.046 0.000 0.985 206 L HN 0.681 nan 8.230 nan 0.000 0.456 207 G N -0.304 108.525 108.800 0.049 0.000 2.143 207 G HA2 -0.272 3.688 3.960 0.000 0.000 0.249 207 G HA3 -0.272 3.688 3.960 0.000 0.000 0.249 207 G C 0.417 175.330 174.900 0.023 0.000 0.981 207 G CA 0.257 45.380 45.100 0.038 0.000 0.665 207 G HN 0.296 nan 8.290 nan 0.000 0.528 208 I N 0.688 121.268 120.570 0.016 0.000 2.440 208 I HA 0.414 4.585 4.170 0.000 0.000 0.294 208 I C 0.133 176.252 176.117 0.003 0.000 0.995 208 I CA -0.571 60.733 61.300 0.008 0.000 1.306 208 I CB 1.429 39.430 38.000 0.001 0.000 1.407 208 I HN 0.161 nan 8.210 nan 0.000 0.501 209 D N 5.220 125.621 120.400 0.002 0.000 2.329 209 D HA 0.283 4.923 4.640 0.000 0.000 0.232 209 D C 0.653 176.951 176.300 -0.003 0.000 1.088 209 D CA -0.381 53.619 54.000 -0.000 0.000 0.835 209 D CB 1.019 41.820 40.800 0.001 0.000 1.078 209 D HN 0.425 nan 8.370 nan 0.000 0.495 210 L N 2.311 123.530 121.223 -0.007 0.000 2.549 210 L HA 0.032 4.373 4.340 0.000 0.000 0.229 210 L C 1.510 178.375 176.870 -0.008 0.000 1.158 210 L CA 0.312 55.146 54.840 -0.011 0.000 0.842 210 L CB -1.056 40.992 42.059 -0.018 0.000 0.952 210 L HN 0.447 nan 8.230 nan 0.000 0.452 211 K N 1.063 121.460 120.400 -0.005 0.000 2.395 211 K HA 0.377 4.697 4.320 0.000 0.000 0.283 211 K C 1.225 177.822 176.600 -0.005 0.000 1.068 211 K CA 0.474 56.759 56.287 -0.004 0.000 1.039 211 K CB -0.663 31.836 32.500 -0.001 0.000 0.924 211 K HN 0.443 nan 8.250 nan 0.000 0.468 212 G N 1.108 109.904 108.800 -0.007 0.000 2.159 212 G HA2 -0.204 3.756 3.960 0.000 0.000 0.256 212 G HA3 -0.204 3.756 3.960 0.000 0.000 0.256 212 G C 0.392 175.288 174.900 -0.007 0.000 0.977 212 G CA 0.403 45.499 45.100 -0.007 0.000 0.652 212 G HN 0.679 nan 8.290 nan 0.000 0.531 213 K N 0.209 120.605 120.400 -0.006 0.000 2.102 213 K HA 0.543 4.863 4.320 0.000 0.000 0.244 213 K C 0.548 177.144 176.600 -0.006 0.000 1.021 213 K CA -0.237 56.047 56.287 -0.004 0.000 0.913 213 K CB 0.633 33.130 32.500 -0.005 0.000 1.062 213 K HN 0.288 nan 8.250 nan 0.000 0.485 214 K N 0.787 121.187 120.400 0.001 0.000 2.182 214 K HA 0.467 4.787 4.320 0.000 0.000 0.262 214 K C -0.381 176.222 176.600 0.005 0.000 0.957 214 K CA -0.493 55.796 56.287 0.003 0.000 0.842 214 K CB 1.486 33.998 32.500 0.020 0.000 1.099 214 K HN 0.462 nan 8.250 nan 0.000 0.438 215 I N 1.314 121.885 120.570 0.001 0.000 2.608 215 I HA 0.559 4.729 4.170 0.000 0.000 0.295 215 I C -1.417 174.709 176.117 0.015 0.000 1.049 215 I CA -0.617 60.684 61.300 0.003 0.000 1.063 215 I CB 1.653 39.646 38.000 -0.011 0.000 1.248 215 I HN 0.737 nan 8.210 nan 0.000 0.424 216 A N 6.786 129.621 122.820 0.025 0.000 2.342 216 A HA 0.779 5.099 4.320 0.000 0.000 0.323 216 A C -1.483 176.121 177.584 0.033 0.000 1.125 216 A CA -0.488 51.572 52.037 0.037 0.000 0.785 216 A CB 1.659 20.691 19.000 0.054 0.000 1.221 216 A HN 0.450 nan 8.150 nan 0.000 0.463 217 V N 2.743 122.684 119.914 0.044 0.000 2.444 217 V HA 0.359 4.479 4.120 0.000 0.000 0.294 217 V C -0.045 176.092 176.094 0.071 0.000 1.022 217 V CA -0.482 61.853 62.300 0.058 0.000 0.850 217 V CB 1.487 33.361 31.823 0.085 0.000 0.992 217 V HN 0.948 nan 8.190 nan 0.000 0.426 218 Q N 3.456 123.289 119.800 0.056 0.000 2.377 218 Q HA 0.584 4.924 4.340 0.000 0.000 0.249 218 Q C 0.050 176.092 176.000 0.071 0.000 1.005 218 Q CA 0.315 56.152 55.803 0.056 0.000 0.912 218 Q CB 1.175 29.934 28.738 0.035 0.000 1.223 218 Q HN 1.156 nan 8.270 nan 0.000 0.459 219 G N 3.300 112.163 108.800 0.104 0.000 3.014 219 G HA2 -0.174 3.786 3.960 0.000 0.000 0.683 219 G HA3 -0.174 3.786 3.960 0.000 0.000 0.683 219 G C -1.553 173.489 174.900 0.237 0.000 1.271 219 G CA -0.767 44.406 45.100 0.122 0.000 0.843 219 G HN 0.581 nan 8.290 nan 0.000 0.612 220 Y N 2.143 122.455 120.300 0.019 0.000 2.696 220 Y HA 0.485 5.035 4.550 0.000 0.000 0.255 220 Y C 1.458 177.372 175.900 0.024 0.000 1.103 220 Y CA 0.233 58.351 58.100 0.029 0.000 1.126 220 Y CB 0.368 38.834 38.460 0.010 0.000 1.197 220 Y HN 0.979 nan 8.280 nan 0.000 0.574 221 G N 0.222 109.045 108.800 0.038 0.000 2.447 221 G HA2 -0.149 3.811 3.960 0.000 0.000 0.269 221 G HA3 -0.149 3.811 3.960 0.000 0.000 0.269 221 G C 1.143 176.018 174.900 -0.041 0.000 1.455 221 G CA 0.137 45.229 45.100 -0.014 0.000 1.061 221 G HN 0.402 nan 8.290 nan 0.000 0.545 222 N N -0.477 118.235 118.700 0.020 0.000 2.084 222 N HA -0.148 4.592 4.740 0.000 0.000 0.190 222 N C 2.465 178.063 175.510 0.146 0.000 1.030 222 N CA 1.372 54.497 53.050 0.126 0.000 0.849 222 N CB -0.175 38.388 38.487 0.127 0.000 1.012 222 N HN 0.423 nan 8.380 nan 0.000 0.423 223 A N 0.521 123.378 122.820 0.062 0.000 1.877 223 A HA -0.003 4.317 4.320 0.000 0.000 0.216 223 A C 2.320 179.905 177.584 0.001 0.000 1.186 223 A CA 1.920 53.978 52.037 0.035 0.000 0.620 223 A CB -1.306 17.700 19.000 0.009 0.000 0.822 223 A HN 0.486 nan 8.150 nan 0.000 0.443 224 G N -1.532 107.259 108.800 -0.016 0.000 2.404 224 G HA2 -0.253 3.707 3.960 0.000 0.000 0.215 224 G HA3 -0.253 3.707 3.960 0.000 0.000 0.215 224 G C 1.576 176.393 174.900 -0.139 0.000 1.174 224 G CA 1.292 46.380 45.100 -0.019 0.000 0.780 224 G HN 0.616 nan 8.290 nan 0.000 0.537 225 Y N 0.507 120.478 120.300 -0.549 0.000 2.128 225 Y HA -0.169 4.381 4.550 0.000 0.000 0.284 225 Y C 2.464 178.083 175.900 -0.469 0.000 1.154 225 Y CA 1.447 59.002 58.100 -0.908 0.000 1.149 225 Y CB -0.464 37.307 38.460 -1.149 0.000 0.976 225 Y HN 0.238 nan 8.280 nan 0.000 0.505 226 Y N 0.305 120.244 120.300 -0.602 0.000 2.314 226 Y HA -0.125 4.425 4.550 0.000 0.000 0.293 226 Y C 2.637 178.321 175.900 -0.361 0.000 1.129 226 Y CA 1.726 59.474 58.100 -0.586 0.000 1.201 226 Y CB -0.835 37.426 38.460 -0.331 0.000 0.999 226 Y HN 0.114 nan 8.280 nan 0.000 0.541 227 T N -0.160 114.330 114.554 -0.106 0.000 2.684 227 T HA -0.268 4.082 4.350 0.000 0.000 0.267 227 T C 2.241 176.880 174.700 -0.103 0.000 1.036 227 T CA 1.476 63.519 62.100 -0.094 0.000 1.148 227 T CB -0.642 68.191 68.868 -0.059 0.000 0.863 227 T HN 0.425 nan 8.240 nan 0.000 0.436 228 A N 1.592 124.349 122.820 -0.105 0.000 1.858 228 A HA -0.106 4.214 4.320 0.000 0.000 0.216 228 A C 2.250 179.767 177.584 -0.111 0.000 1.190 228 A CA 1.891 53.893 52.037 -0.059 0.000 0.617 228 A CB -0.591 18.446 19.000 0.062 0.000 0.827 228 A HN 0.452 nan 8.150 nan 0.000 0.443 229 K N -0.933 119.321 120.400 -0.244 0.000 2.032 229 K HA -0.161 4.159 4.320 0.000 0.000 0.209 229 K C 1.744 178.263 176.600 -0.134 0.000 1.048 229 K CA 1.581 57.721 56.287 -0.245 0.000 0.927 229 K CB -0.239 31.933 32.500 -0.547 0.000 0.712 229 K HN 0.308 nan 8.250 nan 0.000 0.441 230 L N 0.629 121.777 121.223 -0.125 0.000 2.131 230 L HA 0.010 4.350 4.340 0.000 0.000 0.206 230 L C 2.445 179.264 176.870 -0.084 0.000 1.087 230 L CA 1.656 56.440 54.840 -0.092 0.000 0.767 230 L CB -1.227 40.761 42.059 -0.118 0.000 0.917 230 L HN 0.202 nan 8.230 nan 0.000 0.441 231 A N -0.186 122.583 122.820 -0.086 0.000 1.892 231 A HA -0.302 4.018 4.320 0.000 0.000 0.218 231 A C 2.460 180.017 177.584 -0.045 0.000 1.188 231 A CA 2.245 54.243 52.037 -0.064 0.000 0.631 231 A CB -0.543 18.423 19.000 -0.057 0.000 0.822 231 A HN 0.396 nan 8.150 nan 0.000 0.447 232 K N -0.435 119.939 120.400 -0.043 0.000 2.009 232 K HA -0.210 4.110 4.320 0.000 0.000 0.210 232 K C 2.035 178.621 176.600 -0.022 0.000 1.049 232 K CA 1.871 58.140 56.287 -0.029 0.000 0.929 232 K CB -0.225 32.259 32.500 -0.027 0.000 0.714 232 K HN 0.618 nan 8.250 nan 0.000 0.440 233 E N -0.044 120.140 120.200 -0.027 0.000 2.015 233 E HA -0.183 4.167 4.350 0.000 0.000 0.191 233 E C 2.359 178.955 176.600 -0.006 0.000 0.991 233 E CA 1.545 57.937 56.400 -0.013 0.000 0.802 233 E CB 0.096 29.788 29.700 -0.012 0.000 0.759 233 E HN 0.389 nan 8.360 nan 0.000 0.447 234 Q N 0.036 119.828 119.800 -0.013 0.000 2.062 234 Q HA -0.008 4.332 4.340 0.000 0.000 0.196 234 Q C 2.259 178.264 176.000 0.008 0.000 0.967 234 Q CA 0.821 56.627 55.803 0.004 0.000 0.832 234 Q CB 0.111 28.849 28.738 -0.002 0.000 0.899 234 Q HN 0.278 nan 8.270 nan 0.000 0.442 235 L N -0.572 120.646 121.223 -0.008 0.000 2.492 235 L HA 0.174 4.514 4.340 0.000 0.000 0.223 235 L C 1.131 177.998 176.870 -0.006 0.000 1.132 235 L CA 0.529 55.366 54.840 -0.005 0.000 0.850 235 L CB -0.204 41.843 42.059 -0.021 0.000 0.966 235 L HN 0.473 nan 8.230 nan 0.000 0.454 236 G N 0.437 109.232 108.800 -0.008 0.000 2.143 236 G HA2 -0.289 3.671 3.960 0.000 0.000 0.248 236 G HA3 -0.289 3.671 3.960 0.000 0.000 0.248 236 G C 0.273 175.167 174.900 -0.011 0.000 0.991 236 G CA 0.065 45.161 45.100 -0.007 0.000 0.689 236 G HN 0.232 nan 8.290 nan 0.000 0.522 237 M N 0.505 120.095 119.600 -0.017 0.000 2.247 237 M HA 0.367 4.847 4.480 0.000 0.000 0.326 237 M C 0.502 176.790 176.300 -0.020 0.000 1.134 237 M CA 0.260 55.549 55.300 -0.018 0.000 1.136 237 M CB 0.791 33.378 32.600 -0.022 0.000 1.454 237 M HN 0.057 nan 8.290 nan 0.000 0.467 238 T N 1.920 116.462 114.554 -0.021 0.000 2.738 238 T HA 0.300 4.650 4.350 0.000 0.000 0.298 238 T C -0.144 174.535 174.700 -0.035 0.000 0.962 238 T CA -0.569 61.513 62.100 -0.029 0.000 0.972 238 T CB 0.106 68.954 68.868 -0.032 0.000 0.928 238 T HN 0.364 nan 8.240 nan 0.000 0.474 239 V N 5.764 125.655 119.914 -0.038 0.000 2.364 239 V HA 0.019 4.139 4.120 0.000 0.000 0.252 239 V C 1.648 177.699 176.094 -0.072 0.000 1.075 239 V CA 0.027 62.304 62.300 -0.039 0.000 1.033 239 V CB -0.217 31.589 31.823 -0.029 0.000 1.116 239 V HN 0.890 nan 8.190 nan 0.000 0.488 240 V N 1.907 121.777 119.914 -0.072 0.000 3.235 240 V HA 0.586 4.706 4.120 0.000 0.000 0.259 240 V C 0.810 176.821 176.094 -0.138 0.000 1.133 240 V CA 0.893 63.096 62.300 -0.162 0.000 1.128 240 V CB -0.204 31.536 31.823 -0.137 0.000 0.757 240 V HN 0.818 nan 8.190 nan 0.000 0.469 241 A N 0.133 122.943 122.820 -0.016 0.000 2.574 241 A HA 0.836 5.156 4.320 0.000 0.000 0.297 241 A C -0.840 176.739 177.584 -0.008 0.000 1.062 241 A CA 0.098 52.151 52.037 0.027 0.000 0.686 241 A CB 2.061 21.154 19.000 0.156 0.000 1.285 241 A HN 1.476 nan 8.150 nan 0.000 0.403 242 V N -0.733 119.143 119.914 -0.063 0.000 3.181 242 V HA 1.021 5.141 4.120 0.000 0.000 0.308 242 V C -0.486 175.544 176.094 -0.107 0.000 1.214 242 V CA 0.012 62.267 62.300 -0.076 0.000 1.053 242 V CB 1.667 33.376 31.823 -0.189 0.000 1.069 242 V HN 2.283 nan 8.190 nan 0.000 0.441 243 S N 0.519 116.184 115.700 -0.059 0.000 2.537 243 S HA 0.734 5.204 4.470 0.000 0.000 0.270 243 S C -1.158 173.452 174.600 0.016 0.000 1.142 243 S CA -0.146 58.032 58.200 -0.037 0.000 0.870 243 S CB 1.821 65.024 63.200 0.006 0.000 1.112 243 S HN 1.489 nan 8.310 nan 0.000 0.466 244 D N 1.220 121.629 120.400 0.015 0.000 2.567 244 D HA 0.475 5.115 4.640 0.000 0.000 0.275 244 D C 1.616 177.944 176.300 0.048 0.000 1.195 244 D CA -0.059 53.980 54.000 0.064 0.000 1.087 244 D CB -0.031 40.812 40.800 0.071 0.000 1.165 244 D HN 0.570 nan 8.370 nan 0.000 0.609 245 S N -1.866 113.863 115.700 0.048 0.000 2.399 245 S HA -0.184 4.286 4.470 0.000 0.000 0.231 245 S C 2.251 176.869 174.600 0.030 0.000 1.022 245 S CA 1.513 59.734 58.200 0.035 0.000 0.983 245 S CB -1.076 62.143 63.200 0.031 0.000 0.803 245 S HN 0.684 nan 8.310 nan 0.000 0.480 246 R N 1.887 122.407 120.500 0.034 0.000 2.064 246 R HA 0.504 4.844 4.340 0.000 0.000 0.228 246 R C 1.439 177.756 176.300 0.028 0.000 1.144 246 R CA 1.512 57.631 56.100 0.032 0.000 0.932 246 R CB -1.614 28.710 30.300 0.040 0.000 0.833 246 R HN 0.919 nan 8.270 nan 0.000 0.429 247 G N -3.626 105.191 108.800 0.028 0.000 2.554 247 G HA2 0.510 4.470 3.960 0.000 0.000 0.306 247 G HA3 0.510 4.470 3.960 0.000 0.000 0.306 247 G C -0.505 174.402 174.900 0.012 0.000 1.320 247 G CA -0.095 45.017 45.100 0.021 0.000 0.800 247 G HN 0.993 nan 8.290 nan 0.000 0.481 248 G N -1.175 107.631 108.800 0.010 0.000 2.568 248 G HA2 0.819 4.779 3.960 0.000 0.000 0.313 248 G HA3 0.819 4.779 3.960 0.000 0.000 0.313 248 G C -0.553 174.353 174.900 0.009 0.000 1.227 248 G CA -0.515 44.585 45.100 0.000 0.000 0.979 248 G HN 1.311 nan 8.290 nan 0.000 0.486 249 I N -2.528 118.042 120.570 0.000 0.000 2.934 249 I HA 0.828 4.998 4.170 0.000 0.000 0.306 249 I C -1.647 174.525 176.117 0.092 0.000 1.110 249 I CA -1.427 59.891 61.300 0.029 0.000 1.019 249 I CB 2.717 40.707 38.000 -0.017 0.000 1.227 249 I HN 0.491 nan 8.210 nan 0.000 0.434 250 Y N 3.042 123.322 120.300 -0.032 0.000 2.504 250 Y HA 0.623 5.173 4.550 0.000 0.000 0.344 250 Y C -1.637 174.253 175.900 -0.017 0.000 1.023 250 Y CA -0.720 57.364 58.100 -0.026 0.000 1.020 250 Y CB 1.896 40.342 38.460 -0.024 0.000 1.282 250 Y HN 0.808 nan 8.280 nan 0.000 0.454 251 N N 7.227 125.416 118.700 -0.852 0.000 2.697 251 N HA 0.235 4.975 4.740 0.000 0.000 0.271 251 N C -2.837 172.256 175.510 -0.695 0.000 1.149 251 N CA -1.624 51.043 53.050 -0.638 0.000 0.939 251 N CB 2.585 40.922 38.487 -0.250 0.000 1.534 251 N HN 0.425 nan 8.380 nan 0.000 0.556 252 P HA 0.054 nan 4.420 nan 0.000 0.230 252 P C -0.087 177.112 177.300 -0.168 0.000 1.158 252 P CA 0.887 63.787 63.100 -0.334 0.000 0.769 252 P CB 0.577 32.230 31.700 -0.079 0.000 0.807 253 D N -0.414 119.891 120.400 -0.160 0.000 2.369 253 D HA 0.240 4.880 4.640 0.000 0.000 0.211 253 D C 0.823 177.070 176.300 -0.089 0.000 1.077 253 D CA 0.446 54.389 54.000 -0.095 0.000 0.842 253 D CB 0.727 41.485 40.800 -0.070 0.000 0.947 253 D HN 0.152 nan 8.370 nan 0.000 0.509 254 G N 1.185 109.910 108.800 -0.125 0.000 3.226 254 G HA2 -0.112 3.848 3.960 0.000 0.000 0.685 254 G HA3 -0.112 3.848 3.960 0.000 0.000 0.685 254 G C -0.710 174.154 174.900 -0.061 0.000 1.207 254 G CA -0.931 44.115 45.100 -0.091 0.000 0.877 254 G HN 0.092 nan 8.290 nan 0.000 0.585 255 L N 1.187 122.370 121.223 -0.067 0.000 2.375 255 L HA 0.553 4.893 4.340 0.000 0.000 0.271 255 L C 0.532 177.384 176.870 -0.030 0.000 1.107 255 L CA -0.694 54.125 54.840 -0.035 0.000 0.806 255 L CB 1.310 43.288 42.059 -0.135 0.000 1.146 255 L HN 0.686 nan 8.230 nan 0.000 0.447 256 D N 2.337 122.739 120.400 0.003 0.000 2.317 256 D HA 0.266 4.906 4.640 0.000 0.000 0.234 256 D C -1.905 174.396 176.300 0.001 0.000 1.112 256 D CA -1.633 52.379 54.000 0.020 0.000 0.840 256 D CB 1.739 42.581 40.800 0.071 0.000 1.078 256 D HN 0.187 nan 8.370 nan 0.000 0.486 257 P HA -0.059 nan 4.420 nan 0.000 0.219 257 P C 0.504 177.968 177.300 0.274 0.000 1.150 257 P CA 0.570 63.779 63.100 0.182 0.000 0.814 257 P CB 0.335 32.121 31.700 0.143 0.000 0.787 258 D N -0.282 120.239 120.400 0.202 0.000 2.078 258 D HA -0.151 4.489 4.640 0.000 0.000 0.193 258 D C 1.908 178.274 176.300 0.109 0.000 0.990 258 D CA 1.179 55.283 54.000 0.173 0.000 0.827 258 D CB -0.579 40.300 40.800 0.132 0.000 0.975 258 D HN 0.228 nan 8.370 nan 0.000 0.451 259 E N 0.020 120.289 120.200 0.115 0.000 2.097 259 E HA -0.164 4.186 4.350 0.000 0.000 0.196 259 E C 2.233 178.892 176.600 0.098 0.000 1.000 259 E CA 0.942 57.452 56.400 0.184 0.000 0.804 259 E CB 0.003 29.883 29.700 0.300 0.000 0.740 259 E HN 0.086 nan 8.360 nan 0.000 0.454 260 V N 1.088 120.840 119.914 -0.269 0.000 2.343 260 V HA -0.245 3.875 4.120 0.000 0.000 0.247 260 V C 2.265 178.327 176.094 -0.054 0.000 1.051 260 V CA 1.443 63.404 62.300 -0.565 0.000 1.036 260 V CB -0.395 30.988 31.823 -0.734 0.000 0.654 260 V HN 0.231 nan 8.190 nan 0.000 0.451 261 L N -0.114 121.167 121.223 0.097 0.000 2.056 261 L HA -0.122 4.218 4.340 0.000 0.000 0.207 261 L C 2.403 179.296 176.870 0.037 0.000 1.078 261 L CA 1.929 56.808 54.840 0.065 0.000 0.749 261 L CB -0.708 41.188 42.059 -0.271 0.000 0.901 261 L HN 0.166 nan 8.230 nan 0.000 0.433 262 K N -1.053 119.396 120.400 0.081 0.000 2.032 262 K HA -0.269 4.051 4.320 0.000 0.000 0.209 262 K C 2.061 178.773 176.600 0.187 0.000 1.048 262 K CA 2.071 58.427 56.287 0.115 0.000 0.927 262 K CB -0.573 32.024 32.500 0.162 0.000 0.712 262 K HN 0.565 nan 8.250 nan 0.000 0.441 263 W N 2.188 123.569 121.300 0.136 0.000 2.335 263 W HA -0.255 4.405 4.660 0.000 0.000 0.311 263 W C 1.892 178.533 176.519 0.204 0.000 1.213 263 W CA 1.608 59.104 57.345 0.252 0.000 1.274 263 W CB -0.190 29.477 29.460 0.344 0.000 1.148 263 W HN 0.065 nan 8.180 nan 0.000 0.498 264 K N 0.526 121.078 120.400 0.252 0.000 2.103 264 K HA -0.248 4.072 4.320 0.000 0.000 0.207 264 K C 2.530 179.135 176.600 0.009 0.000 1.048 264 K CA 2.539 58.901 56.287 0.124 0.000 0.930 264 K CB -0.219 32.357 32.500 0.127 0.000 0.716 264 K HN 0.076 nan 8.250 nan 0.000 0.444 265 R N 0.467 120.961 120.500 -0.009 0.000 2.070 265 R HA -0.130 4.210 4.340 0.000 0.000 0.233 265 R C 2.375 178.598 176.300 -0.129 0.000 1.137 265 R CA 2.282 58.346 56.100 -0.060 0.000 0.945 265 R CB -1.887 28.382 30.300 -0.053 0.000 0.845 265 R HN 0.634 nan 8.270 nan 0.000 0.430 266 E N 0.567 120.648 120.200 -0.198 0.000 2.028 266 E HA -0.152 4.198 4.350 0.000 0.000 0.190 266 E C 2.011 178.256 176.600 -0.591 0.000 0.984 266 E CA 1.487 57.650 56.400 -0.395 0.000 0.800 266 E CB -0.601 28.806 29.700 -0.488 0.000 0.758 266 E HN 0.933 nan 8.360 nan 0.000 0.448 267 H N -1.844 116.960 119.070 -0.443 0.000 2.553 267 H HA 0.415 4.971 4.556 0.000 0.000 0.265 267 H C 1.757 176.973 175.328 -0.186 0.000 0.964 267 H CA 0.732 56.540 56.048 -0.400 0.000 1.156 267 H CB 1.141 30.492 29.762 -0.686 0.000 1.411 267 H HN 0.611 nan 8.280 nan 0.000 0.558 268 G N -0.410 108.345 108.800 -0.074 0.000 2.199 268 G HA2 -0.282 3.678 3.960 0.000 0.000 0.254 268 G HA3 -0.282 3.678 3.960 0.000 0.000 0.254 268 G C 0.391 175.315 174.900 0.041 0.000 0.982 268 G CA 0.451 45.541 45.100 -0.017 0.000 0.632 268 G HN 0.494 nan 8.290 nan 0.000 0.529 269 S N -2.426 113.330 115.700 0.093 0.000 2.587 269 S HA 0.494 4.964 4.470 0.000 0.000 0.269 269 S C 1.105 175.858 174.600 0.254 0.000 1.154 269 S CA 0.335 58.616 58.200 0.135 0.000 0.824 269 S CB 1.541 64.813 63.200 0.119 0.000 1.118 269 S HN 1.390 nan 8.310 nan 0.000 0.462 270 V N -0.172 119.842 119.914 0.167 0.000 2.809 270 V HA 0.286 4.406 4.120 0.000 0.000 0.256 270 V C 1.075 177.290 176.094 0.201 0.000 1.080 270 V CA 1.284 63.670 62.300 0.144 0.000 1.102 270 V CB -1.924 29.822 31.823 -0.129 0.000 0.705 270 V HN 0.936 nan 8.190 nan 0.000 0.475 271 K N 0.659 121.178 120.400 0.199 0.000 2.550 271 K HA 0.046 4.366 4.320 0.000 0.000 0.280 271 K C 0.792 177.539 176.600 0.246 0.000 0.987 271 K CA 0.873 57.261 56.287 0.168 0.000 1.048 271 K CB -0.967 31.616 32.500 0.139 0.000 0.879 271 K HN 0.697 nan 8.250 nan 0.000 0.491 272 D N -1.304 119.143 120.400 0.078 0.000 3.028 272 D HA -0.168 4.472 4.640 0.000 0.000 0.207 272 D C -0.068 176.007 176.300 -0.375 0.000 1.100 272 D CA 1.173 55.168 54.000 -0.008 0.000 0.995 272 D CB -1.896 38.994 40.800 0.149 0.000 1.108 272 D HN 0.720 nan 8.370 nan 0.000 0.421 273 F N 1.925 121.415 119.950 -0.767 0.000 2.580 273 F HA 0.158 4.685 4.527 0.000 0.000 0.398 273 F C -1.687 173.603 175.800 -0.850 0.000 1.023 273 F CA -1.127 56.046 58.000 -1.378 0.000 1.188 273 F CB 0.416 38.899 39.000 -0.862 0.000 1.005 273 F HN -0.249 nan 8.300 nan 0.000 0.546 274 P HA 0.154 nan 4.420 nan 0.000 0.257 274 P C 0.453 177.308 177.300 -0.743 0.000 1.189 274 P CA 1.671 64.187 63.100 -0.973 0.000 0.780 274 P CB 0.134 31.332 31.700 -0.838 0.000 0.772 275 G N 2.582 111.126 108.800 -0.426 0.000 2.195 275 G HA2 -0.116 3.844 3.960 0.000 0.000 0.224 275 G HA3 -0.116 3.844 3.960 0.000 0.000 0.224 275 G C 0.297 175.089 174.900 -0.180 0.000 0.990 275 G CA -0.083 44.858 45.100 -0.265 0.000 0.639 275 G HN 0.819 nan 8.290 nan 0.000 0.514 276 A N 0.511 123.221 122.820 -0.183 0.000 2.306 276 A HA 0.763 5.083 4.320 0.000 0.000 0.314 276 A C 0.460 178.027 177.584 -0.028 0.000 1.164 276 A CA 0.572 52.572 52.037 -0.060 0.000 0.822 276 A CB 0.711 19.734 19.000 0.038 0.000 1.130 276 A HN 0.707 nan 8.150 nan 0.000 0.496 277 T N 2.990 117.574 114.554 0.050 0.000 2.779 277 T HA 0.176 4.527 4.350 0.000 0.000 0.296 277 T C 0.138 174.882 174.700 0.073 0.000 0.938 277 T CA -0.005 62.142 62.100 0.079 0.000 1.119 277 T CB -0.209 68.758 68.868 0.165 0.000 0.891 277 T HN 0.635 nan 8.240 nan 0.000 0.526 278 N N 3.354 122.074 118.700 0.034 0.000 2.452 278 N HA 0.362 5.102 4.740 0.000 0.000 0.266 278 N C 0.100 175.625 175.510 0.025 0.000 1.209 278 N CA -0.135 52.933 53.050 0.030 0.000 0.929 278 N CB 0.203 38.703 38.487 0.021 0.000 1.063 278 N HN 0.652 nan 8.380 nan 0.000 0.472 279 I N -2.371 118.214 120.570 0.026 0.000 3.170 279 I HA 0.677 4.848 4.170 0.000 0.000 0.312 279 I C 0.073 176.191 176.117 0.002 0.000 1.085 279 I CA -1.062 60.238 61.300 0.001 0.000 0.999 279 I CB 1.904 39.895 38.000 -0.015 0.000 1.233 279 I HN 0.295 nan 8.210 nan 0.000 0.467 280 T N -0.742 113.807 114.554 -0.008 0.000 2.881 280 T HA 0.322 4.672 4.350 0.000 0.000 0.278 280 T C 0.551 175.251 174.700 0.000 0.000 0.982 280 T CA -0.418 61.681 62.100 -0.002 0.000 0.989 280 T CB 1.052 69.917 68.868 -0.006 0.000 1.058 280 T HN 0.718 nan 8.240 nan 0.000 0.529 281 N N 0.901 119.605 118.700 0.005 0.000 2.104 281 N HA -0.145 4.595 4.740 0.000 0.000 0.190 281 N C 1.889 177.401 175.510 0.004 0.000 1.024 281 N CA 1.349 54.404 53.050 0.008 0.000 0.853 281 N CB -0.072 38.422 38.487 0.012 0.000 1.008 281 N HN 0.750 nan 8.380 nan 0.000 0.424 282 E N 0.800 120.999 120.200 -0.001 0.000 2.358 282 E HA -0.119 4.231 4.350 0.000 0.000 0.195 282 E C 1.063 177.655 176.600 -0.013 0.000 1.010 282 E CA 0.809 57.206 56.400 -0.005 0.000 0.856 282 E CB -0.193 29.504 29.700 -0.005 0.000 0.795 282 E HN 0.525 nan 8.360 nan 0.000 0.504 283 E N 0.767 120.955 120.200 -0.020 0.000 2.122 283 E HA 0.008 4.358 4.350 0.000 0.000 0.190 283 E C 2.175 178.752 176.600 -0.039 0.000 0.977 283 E CA 0.182 56.558 56.400 -0.039 0.000 0.820 283 E CB -0.008 29.660 29.700 -0.054 0.000 0.770 283 E HN 0.149 nan 8.360 nan 0.000 0.462 284 L N 1.137 122.351 121.223 -0.015 0.000 2.042 284 L HA -0.202 4.138 4.340 0.000 0.000 0.210 284 L C 2.139 179.014 176.870 0.008 0.000 1.076 284 L CA 1.175 56.020 54.840 0.007 0.000 0.749 284 L CB -0.139 41.934 42.059 0.023 0.000 0.893 284 L HN 0.161 nan 8.230 nan 0.000 0.432 285 L N -0.536 120.689 121.223 0.004 0.000 2.189 285 L HA -0.253 4.087 4.340 0.000 0.000 0.214 285 L C 1.947 178.817 176.870 0.000 0.000 1.097 285 L CA 1.523 56.366 54.840 0.005 0.000 0.764 285 L CB -0.529 41.532 42.059 0.003 0.000 0.900 285 L HN 0.432 nan 8.230 nan 0.000 0.436 286 E N -0.760 119.434 120.200 -0.011 0.000 2.481 286 E HA 0.174 4.525 4.350 0.000 0.000 0.198 286 E C 0.450 177.037 176.600 -0.022 0.000 1.027 286 E CA -0.376 56.014 56.400 -0.016 0.000 0.900 286 E CB 0.409 30.095 29.700 -0.024 0.000 0.993 286 E HN 0.341 nan 8.360 nan 0.000 0.482 287 L N 1.957 123.167 121.223 -0.022 0.000 2.536 287 L HA -0.057 4.283 4.340 0.000 0.000 0.294 287 L C 0.754 177.629 176.870 0.008 0.000 1.257 287 L CA 0.602 55.431 54.840 -0.018 0.000 0.850 287 L CB 0.151 42.228 42.059 0.030 0.000 1.105 287 L HN 0.142 nan 8.230 nan 0.000 0.517 288 E N 2.436 122.645 120.200 0.015 0.000 1.941 288 E HA 0.337 4.687 4.350 0.000 0.000 0.275 288 E C -1.083 175.544 176.600 0.044 0.000 1.113 288 E CA -0.437 55.978 56.400 0.025 0.000 0.878 288 E CB 0.499 30.211 29.700 0.020 0.000 1.070 288 E HN 0.381 nan 8.360 nan 0.000 0.399 289 V N 0.943 120.878 119.914 0.035 0.000 3.040 289 V HA 0.349 4.469 4.120 0.000 0.000 0.312 289 V C 0.241 176.346 176.094 0.019 0.000 1.115 289 V CA -0.862 61.459 62.300 0.034 0.000 0.998 289 V CB 1.987 33.833 31.823 0.039 0.000 1.042 289 V HN 0.350 nan 8.190 nan 0.000 0.433 290 D N 0.946 121.353 120.400 0.013 0.000 2.183 290 D HA 0.104 4.744 4.640 0.000 0.000 0.203 290 D C 0.473 176.771 176.300 -0.003 0.000 0.969 290 D CA 1.494 55.497 54.000 0.004 0.000 0.842 290 D CB 0.265 41.065 40.800 -0.000 0.000 0.957 290 D HN 0.472 nan 8.370 nan 0.000 0.484 291 V N 1.370 121.282 119.914 -0.003 0.000 2.588 291 V HA 0.307 4.427 4.120 0.000 0.000 0.304 291 V C -0.581 175.513 176.094 0.000 0.000 1.042 291 V CA -0.858 61.436 62.300 -0.009 0.000 0.877 291 V CB 2.781 34.589 31.823 -0.025 0.000 0.996 291 V HN 0.001 nan 8.190 nan 0.000 0.425 292 L N 4.246 125.470 121.223 0.001 0.000 2.313 292 L HA 0.828 5.169 4.340 0.000 0.000 0.283 292 L C 0.003 176.875 176.870 0.003 0.000 1.013 292 L CA -0.494 54.351 54.840 0.008 0.000 0.816 292 L CB 1.655 43.721 42.059 0.011 0.000 1.236 292 L HN 0.816 nan 8.230 nan 0.000 0.419 293 A N 7.318 130.142 122.820 0.006 0.000 2.644 293 A HA 0.564 4.884 4.320 0.000 0.000 0.343 293 A C -2.472 175.119 177.584 0.012 0.000 1.324 293 A CA -1.376 50.663 52.037 0.003 0.000 0.846 293 A CB 0.229 19.226 19.000 -0.005 0.000 1.128 293 A HN 0.455 nan 8.150 nan 0.000 0.484 294 P HA 0.178 nan 4.420 nan 0.000 0.268 294 P C 0.146 177.453 177.300 0.012 0.000 1.282 294 P CA 0.556 63.665 63.100 0.014 0.000 0.880 294 P CB 0.771 32.477 31.700 0.010 0.000 0.971 295 A N 2.976 125.808 122.820 0.021 0.000 3.264 295 A HA 0.631 4.951 4.320 0.000 0.000 0.299 295 A C 0.649 178.246 177.584 0.023 0.000 1.272 295 A CA 0.047 52.095 52.037 0.018 0.000 1.030 295 A CB -0.176 18.837 19.000 0.022 0.000 1.102 295 A HN 0.516 nan 8.150 nan 0.000 0.615 296 A N -0.161 122.669 122.820 0.016 0.000 3.659 296 A HA 0.740 5.060 4.320 0.000 0.000 0.161 296 A C -0.322 177.264 177.584 0.003 0.000 0.887 296 A CA -0.398 51.648 52.037 0.015 0.000 1.478 296 A CB -0.182 18.834 19.000 0.026 0.000 2.236 296 A HN 0.310 nan 8.150 nan 0.000 0.915 297 I N 1.796 122.369 120.570 0.004 0.000 3.004 297 I HA 0.191 4.361 4.170 0.000 0.000 0.287 297 I C 0.875 176.988 176.117 -0.007 0.000 1.144 297 I CA -0.080 61.218 61.300 -0.003 0.000 1.353 297 I CB 0.544 38.545 38.000 0.001 0.000 1.417 297 I HN 0.773 nan 8.210 nan 0.000 0.602 298 E N 2.560 122.752 120.200 -0.014 0.000 2.322 298 E HA 0.208 4.558 4.350 0.000 0.000 0.257 298 E C -0.714 175.878 176.600 -0.014 0.000 1.155 298 E CA -0.695 55.693 56.400 -0.019 0.000 0.936 298 E CB 0.317 29.998 29.700 -0.031 0.000 1.130 298 E HN 0.541 nan 8.360 nan 0.000 0.465 299 E N -0.661 119.529 120.200 -0.016 0.000 2.149 299 E HA -0.224 4.126 4.350 0.000 0.000 0.191 299 E C 0.820 177.416 176.600 -0.006 0.000 1.384 299 E CA 0.495 56.887 56.400 -0.013 0.000 0.698 299 E CB -1.552 28.140 29.700 -0.013 0.000 1.086 299 E HN 0.527 nan 8.360 nan 0.000 0.338 300 V N -3.045 116.866 119.914 -0.004 0.000 3.307 300 V HA 0.193 4.313 4.120 0.000 0.000 0.253 300 V C 0.968 177.063 176.094 0.001 0.000 1.149 300 V CA 0.422 62.722 62.300 0.000 0.000 1.112 300 V CB 0.201 32.025 31.823 0.003 0.000 0.777 300 V HN 0.298 nan 8.190 nan 0.000 0.464 301 I N 2.916 123.486 120.570 0.001 0.000 2.362 301 I HA 0.583 4.753 4.170 0.000 0.000 0.289 301 I C 0.201 176.317 176.117 -0.001 0.000 0.994 301 I CA 0.075 61.376 61.300 0.002 0.000 1.158 301 I CB 1.643 39.647 38.000 0.007 0.000 1.315 301 I HN 0.406 nan 8.210 nan 0.000 0.451 302 T N -0.058 114.495 114.554 -0.001 0.000 2.804 302 T HA 0.272 4.622 4.350 0.000 0.000 0.290 302 T C 0.783 175.482 174.700 -0.001 0.000 1.099 302 T CA -0.701 61.396 62.100 -0.003 0.000 1.011 302 T CB 1.899 70.765 68.868 -0.004 0.000 1.291 302 T HN 0.630 nan 8.240 nan 0.000 0.523 303 E N 0.439 120.637 120.200 -0.003 0.000 2.169 303 E HA -0.283 4.067 4.350 0.000 0.000 0.202 303 E C 2.320 178.920 176.600 0.001 0.000 1.016 303 E CA 2.305 58.704 56.400 -0.001 0.000 0.817 303 E CB -0.458 29.241 29.700 -0.002 0.000 0.736 303 E HN 0.728 nan 8.360 nan 0.000 0.462 304 K N 0.974 121.374 120.400 -0.000 0.000 2.025 304 K HA -0.141 4.179 4.320 0.000 0.000 0.207 304 K C 1.465 178.065 176.600 -0.000 0.000 1.049 304 K CA 1.710 57.997 56.287 -0.000 0.000 0.933 304 K CB -0.905 31.594 32.500 -0.001 0.000 0.714 304 K HN 0.473 nan 8.250 nan 0.000 0.438 305 N N -0.677 118.023 118.700 0.000 0.000 2.205 305 N HA 0.279 5.019 4.740 0.000 0.000 0.201 305 N C 1.651 177.162 175.510 0.002 0.000 1.128 305 N CA 0.820 53.870 53.050 0.000 0.000 0.867 305 N CB 0.231 38.717 38.487 -0.001 0.000 0.996 305 N HN 0.329 nan 8.380 nan 0.000 0.503 306 A N 0.965 123.788 122.820 0.005 0.000 1.972 306 A HA -0.162 4.159 4.320 0.000 0.000 0.219 306 A C 1.791 179.381 177.584 0.010 0.000 1.169 306 A CA 1.692 53.734 52.037 0.009 0.000 0.635 306 A CB -0.700 18.307 19.000 0.012 0.000 0.810 306 A HN 0.299 nan 8.150 nan 0.000 0.446 307 D N -0.561 119.844 120.400 0.008 0.000 2.371 307 D HA -0.034 4.606 4.640 0.000 0.000 0.221 307 D C 1.116 177.418 176.300 0.004 0.000 0.986 307 D CA 0.860 54.864 54.000 0.007 0.000 0.899 307 D CB -0.358 40.445 40.800 0.006 0.000 0.902 307 D HN 0.594 nan 8.370 nan 0.000 0.530 308 N N -0.609 118.093 118.700 0.002 0.000 2.280 308 N HA 0.091 4.831 4.740 0.000 0.000 0.192 308 N C -0.243 175.266 175.510 -0.001 0.000 1.109 308 N CA -0.263 52.786 53.050 -0.002 0.000 0.855 308 N CB 0.593 39.076 38.487 -0.006 0.000 0.974 308 N HN 0.104 nan 8.380 nan 0.000 0.482 309 I N 1.359 121.931 120.570 0.003 0.000 2.618 309 I HA -0.036 4.134 4.170 0.000 0.000 0.284 309 I C 1.006 177.126 176.117 0.006 0.000 1.146 309 I CA 0.753 62.056 61.300 0.006 0.000 1.425 309 I CB 0.789 38.796 38.000 0.010 0.000 1.383 309 I HN 0.132 nan 8.210 nan 0.000 0.562 310 K N 3.837 124.241 120.400 0.006 0.000 2.402 310 K HA 0.282 4.602 4.320 0.000 0.000 0.203 310 K C 0.607 177.214 176.600 0.011 0.000 1.077 310 K CA -0.138 56.154 56.287 0.007 0.000 1.051 310 K CB 0.783 33.285 32.500 0.004 0.000 0.907 310 K HN 0.721 nan 8.250 nan 0.000 0.554 311 A N 1.927 124.754 122.820 0.012 0.000 2.540 311 A HA -0.017 4.303 4.320 0.000 0.000 0.239 311 A C 0.805 178.396 177.584 0.012 0.000 1.061 311 A CA 0.302 52.346 52.037 0.012 0.000 0.758 311 A CB 0.331 19.337 19.000 0.011 0.000 0.991 311 A HN 0.187 nan 8.150 nan 0.000 0.502 312 K N 1.241 121.647 120.400 0.011 0.000 2.103 312 K HA 0.075 4.396 4.320 0.000 0.000 0.204 312 K C -0.122 176.484 176.600 0.011 0.000 1.052 312 K CA 1.059 57.354 56.287 0.013 0.000 0.945 312 K CB -0.071 32.436 32.500 0.012 0.000 0.722 312 K HN 0.731 nan 8.250 nan 0.000 0.443 313 I N 1.165 121.736 120.570 0.001 0.000 2.465 313 I HA 0.146 4.316 4.170 0.000 0.000 0.291 313 I C -0.928 175.186 176.117 -0.005 0.000 1.014 313 I CA -0.889 60.406 61.300 -0.007 0.000 1.093 313 I CB 2.384 40.364 38.000 -0.032 0.000 1.267 313 I HN -0.305 nan 8.210 nan 0.000 0.431 314 V N 5.737 125.651 119.914 -0.000 0.000 2.313 314 V HA 0.475 4.595 4.120 0.000 0.000 0.278 314 V C 0.371 176.465 176.094 -0.000 0.000 1.017 314 V CA -0.616 61.686 62.300 0.003 0.000 0.823 314 V CB 1.308 33.139 31.823 0.014 0.000 1.010 314 V HN 0.812 nan 8.190 nan 0.000 0.443 315 A N 4.151 126.965 122.820 -0.009 0.000 2.415 315 A HA 0.426 4.747 4.320 0.000 0.000 0.309 315 A C 0.450 178.031 177.584 -0.006 0.000 1.356 315 A CA -0.401 51.626 52.037 -0.015 0.000 0.998 315 A CB -0.213 18.768 19.000 -0.033 0.000 1.145 315 A HN 0.858 nan 8.150 nan 0.000 0.545 316 E N 2.898 123.098 120.200 0.001 0.000 1.842 316 E HA 0.115 4.465 4.350 0.000 0.000 0.278 316 E C 0.719 177.319 176.600 0.001 0.000 1.171 316 E CA -0.345 56.058 56.400 0.005 0.000 1.127 316 E CB 0.302 30.010 29.700 0.014 0.000 1.100 316 E HN 0.533 nan 8.360 nan 0.000 0.456 317 V N 1.862 121.773 119.914 -0.005 0.000 2.307 317 V HA -0.185 3.935 4.120 0.000 0.000 0.245 317 V C 1.263 177.353 176.094 -0.005 0.000 1.045 317 V CA 1.615 63.910 62.300 -0.008 0.000 1.024 317 V CB -0.332 31.483 31.823 -0.013 0.000 0.651 317 V HN 0.607 nan 8.190 nan 0.000 0.449 318 A N 0.749 123.566 122.820 -0.004 0.000 2.406 318 A HA 0.182 4.502 4.320 0.000 0.000 0.243 318 A C 0.315 177.892 177.584 -0.012 0.000 1.082 318 A CA -0.151 51.881 52.037 -0.008 0.000 0.786 318 A CB -0.145 18.851 19.000 -0.006 0.000 1.029 318 A HN 0.487 nan 8.150 nan 0.000 0.495 319 N N 0.064 118.750 118.700 -0.024 0.000 2.472 319 N HA 0.410 5.151 4.740 0.000 0.000 0.277 319 N C 0.876 176.358 175.510 -0.046 0.000 1.081 319 N CA 1.252 54.280 53.050 -0.037 0.000 0.973 319 N CB 1.233 39.682 38.487 -0.064 0.000 1.105 319 N HN 1.272 nan 8.380 nan 0.000 0.470 320 G N 2.913 111.686 108.800 -0.044 0.000 2.147 320 G HA2 -0.173 3.787 3.960 0.000 0.000 0.244 320 G HA3 -0.173 3.787 3.960 0.000 0.000 0.244 320 G C -1.349 173.532 174.900 -0.031 0.000 1.005 320 G CA -0.189 44.881 45.100 -0.051 0.000 0.713 320 G HN 0.550 nan 8.290 nan 0.000 0.515 321 P HA 0.225 nan 4.420 nan 0.000 0.241 321 P C 0.267 177.563 177.300 -0.008 0.000 1.191 321 P CA 0.611 63.705 63.100 -0.010 0.000 0.771 321 P CB 0.557 32.256 31.700 -0.003 0.000 0.929 322 V N 0.655 120.563 119.914 -0.010 0.000 2.525 322 V HA 0.235 4.356 4.120 0.000 0.000 0.299 322 V C 0.681 176.759 176.094 -0.026 0.000 1.034 322 V CA -0.613 61.681 62.300 -0.010 0.000 0.863 322 V CB 1.686 33.510 31.823 0.002 0.000 0.999 322 V HN 0.077 nan 8.190 nan 0.000 0.423 323 T N 2.731 117.269 114.554 -0.026 0.000 2.816 323 T HA 0.352 4.702 4.350 0.000 0.000 0.282 323 T C -1.831 172.837 174.700 -0.052 0.000 0.993 323 T CA -1.611 60.467 62.100 -0.036 0.000 0.994 323 T CB 1.524 70.377 68.868 -0.025 0.000 1.025 323 T HN 0.388 nan 8.240 nan 0.000 0.529 324 P HA 0.017 nan 4.420 nan 0.000 0.218 324 P C 1.210 178.474 177.300 -0.061 0.000 1.149 324 P CA 0.844 63.895 63.100 -0.082 0.000 0.817 324 P CB 0.056 31.716 31.700 -0.067 0.000 0.785 325 E N -0.140 120.039 120.200 -0.034 0.000 2.072 325 E HA -0.121 4.229 4.350 0.000 0.000 0.191 325 E C 2.150 178.743 176.600 -0.011 0.000 0.985 325 E CA 1.473 57.862 56.400 -0.018 0.000 0.801 325 E CB -1.156 28.538 29.700 -0.010 0.000 0.750 325 E HN 0.104 nan 8.360 nan 0.000 0.452 326 A N 1.283 124.095 122.820 -0.013 0.000 1.940 326 A HA -0.253 4.067 4.320 0.000 0.000 0.219 326 A C 1.647 179.239 177.584 0.013 0.000 1.176 326 A CA 1.869 53.906 52.037 0.000 0.000 0.631 326 A CB -0.571 18.428 19.000 -0.001 0.000 0.814 326 A HN 0.122 nan 8.150 nan 0.000 0.446 327 D N 0.360 120.743 120.400 -0.028 0.000 2.106 327 D HA -0.151 4.489 4.640 0.000 0.000 0.191 327 D C 1.423 177.777 176.300 0.090 0.000 0.997 327 D CA 1.581 55.554 54.000 -0.045 0.000 0.834 327 D CB -0.450 40.117 40.800 -0.388 0.000 0.956 327 D HN 0.377 nan 8.370 nan 0.000 0.448 328 D N 0.011 120.430 120.400 0.033 0.000 2.149 328 D HA -0.114 4.526 4.640 0.000 0.000 0.198 328 D C 2.282 178.622 176.300 0.065 0.000 0.990 328 D CA 0.525 54.564 54.000 0.064 0.000 0.839 328 D CB -0.204 40.612 40.800 0.027 0.000 0.948 328 D HN 0.311 nan 8.370 nan 0.000 0.460 329 I N 0.179 120.777 120.570 0.048 0.000 2.235 329 I HA -0.179 3.992 4.170 0.000 0.000 0.241 329 I C 2.402 178.546 176.117 0.046 0.000 1.085 329 I CA 0.499 61.822 61.300 0.038 0.000 1.378 329 I CB -0.134 37.881 38.000 0.025 0.000 1.076 329 I HN -0.064 nan 8.210 nan 0.000 0.415 330 L N 0.327 121.585 121.223 0.059 0.000 2.079 330 L HA -0.218 4.122 4.340 0.000 0.000 0.210 330 L C 2.759 179.656 176.870 0.045 0.000 1.081 330 L CA 1.276 56.148 54.840 0.053 0.000 0.752 330 L CB -0.607 41.492 42.059 0.066 0.000 0.896 330 L HN 0.238 nan 8.230 nan 0.000 0.433 331 R N 0.407 120.946 120.500 0.066 0.000 2.070 331 R HA -0.205 4.135 4.340 0.000 0.000 0.233 331 R C 2.374 178.687 176.300 0.022 0.000 1.137 331 R CA 1.753 57.862 56.100 0.015 0.000 0.945 331 R CB -0.273 30.055 30.300 0.046 0.000 0.845 331 R HN 0.317 nan 8.270 nan 0.000 0.430 332 E N 1.364 121.586 120.200 0.035 0.000 2.265 332 E HA -0.209 4.141 4.350 0.000 0.000 0.196 332 E C 0.865 177.477 176.600 0.021 0.000 0.996 332 E CA 1.374 57.789 56.400 0.026 0.000 0.832 332 E CB 0.010 29.727 29.700 0.028 0.000 0.756 332 E HN 0.361 nan 8.360 nan 0.000 0.491 333 K N -0.255 120.158 120.400 0.023 0.000 2.487 333 K HA 0.070 4.391 4.320 0.000 0.000 0.192 333 K C 0.978 177.590 176.600 0.020 0.000 1.027 333 K CA 0.507 56.805 56.287 0.020 0.000 1.054 333 K CB 0.013 32.525 32.500 0.020 0.000 0.824 333 K HN 0.302 nan 8.250 nan 0.000 0.510 334 G N 2.280 111.092 108.800 0.021 0.000 2.198 334 G HA2 -0.267 3.693 3.960 0.000 0.000 0.260 334 G HA3 -0.267 3.693 3.960 0.000 0.000 0.260 334 G C -0.004 174.912 174.900 0.028 0.000 1.025 334 G CA -0.042 45.074 45.100 0.026 0.000 0.769 334 G HN 0.270 nan 8.290 nan 0.000 0.507 335 I N 0.129 120.710 120.570 0.018 0.000 2.342 335 I HA 0.355 4.526 4.170 0.000 0.000 0.291 335 I C 0.491 176.608 176.117 -0.000 0.000 1.010 335 I CA -1.010 60.300 61.300 0.016 0.000 1.308 335 I CB 1.404 39.414 38.000 0.017 0.000 1.400 335 I HN 0.077 nan 8.210 nan 0.000 0.488 336 L N 7.801 129.031 121.223 0.012 0.000 2.342 336 L HA 0.240 4.580 4.340 0.000 0.000 0.285 336 L C -0.102 176.760 176.870 -0.012 0.000 1.095 336 L CA 0.346 55.188 54.840 0.003 0.000 0.843 336 L CB 0.248 42.352 42.059 0.076 0.000 1.201 336 L HN 0.541 nan 8.230 nan 0.000 0.445 337 Q N 5.015 124.780 119.800 -0.059 0.000 2.267 337 Q HA 0.404 4.745 4.340 0.000 0.000 0.255 337 Q C -0.694 175.300 176.000 -0.011 0.000 0.923 337 Q CA -0.098 55.697 55.803 -0.013 0.000 0.925 337 Q CB 1.509 30.277 28.738 0.050 0.000 1.195 337 Q HN 0.613 nan 8.270 nan 0.000 0.417 338 I N 5.472 126.055 120.570 0.022 0.000 2.282 338 I HA 0.232 4.402 4.170 0.000 0.000 0.290 338 I C -2.151 173.962 176.117 -0.006 0.000 1.090 338 I CA -2.320 58.999 61.300 0.032 0.000 1.231 338 I CB 0.296 38.326 38.000 0.051 0.000 1.434 338 I HN 0.286 nan 8.210 nan 0.000 0.487 339 P HA -0.040 nan 4.420 nan 0.000 0.267 339 P C 0.171 177.462 177.300 -0.015 0.000 1.201 339 P CA -0.028 63.062 63.100 -0.016 0.000 0.775 339 P CB 0.522 32.185 31.700 -0.062 0.000 0.854 340 D N 2.556 122.990 120.400 0.056 0.000 2.106 340 D HA -0.264 4.376 4.640 0.000 0.000 0.191 340 D C 1.416 177.781 176.300 0.108 0.000 0.997 340 D CA 1.798 55.837 54.000 0.065 0.000 0.834 340 D CB -1.542 39.293 40.800 0.057 0.000 0.956 340 D HN 0.541 nan 8.370 nan 0.000 0.448 341 F N -0.268 119.641 119.950 -0.069 0.000 2.699 341 F HA 0.239 4.766 4.527 0.000 0.000 0.298 341 F C 1.761 177.530 175.800 -0.051 0.000 1.154 341 F CA -0.123 57.837 58.000 -0.067 0.000 1.457 341 F CB -0.271 38.676 39.000 -0.090 0.000 1.106 341 F HN 0.037 nan 8.300 nan 0.000 0.585 342 L N 0.002 121.037 121.223 -0.312 0.000 2.200 342 L HA 0.085 4.425 4.340 0.000 0.000 0.200 342 L C 2.393 179.221 176.870 -0.070 0.000 1.072 342 L CA 1.399 56.087 54.840 -0.254 0.000 0.787 342 L CB -1.070 40.788 42.059 -0.335 0.000 0.957 342 L HN 0.369 nan 8.230 nan 0.000 0.459 343 C N 1.753 121.027 119.300 -0.043 0.000 2.429 343 C HA -0.076 4.384 4.460 0.000 0.000 0.277 343 C C 2.231 177.220 174.990 -0.002 0.000 1.262 343 C CA 1.179 60.192 59.018 -0.008 0.000 1.733 343 C CB -1.405 26.330 27.740 -0.009 0.000 2.010 343 C HN 0.876 nan 8.230 nan 0.000 0.483 344 N N 0.760 119.464 118.700 0.008 0.000 2.251 344 N HA 0.248 4.988 4.740 0.000 0.000 0.217 344 N C 0.833 176.355 175.510 0.019 0.000 1.124 344 N CA 0.801 53.856 53.050 0.007 0.000 0.843 344 N CB -0.491 38.000 38.487 0.007 0.000 1.024 344 N HN 0.426 nan 8.380 nan 0.000 0.501 345 A N -0.175 122.662 122.820 0.028 0.000 2.248 345 A HA 0.211 4.532 4.320 0.000 0.000 0.210 345 A C 2.035 179.628 177.584 0.016 0.000 1.174 345 A CA 0.731 52.789 52.037 0.036 0.000 0.750 345 A CB -1.033 17.990 19.000 0.039 0.000 0.780 345 A HN 0.424 nan 8.150 nan 0.000 0.478 346 G N -0.468 108.339 108.800 0.011 0.000 2.509 346 G HA2 0.086 4.046 3.960 0.000 0.000 0.218 346 G HA3 0.086 4.046 3.960 0.000 0.000 0.218 346 G C 1.298 176.179 174.900 -0.031 0.000 1.124 346 G CA 1.042 46.143 45.100 0.001 0.000 0.776 346 G HN 0.582 nan 8.290 nan 0.000 0.547 347 G N 0.204 108.991 108.800 -0.021 0.000 2.404 347 G HA2 -0.124 3.836 3.960 0.000 0.000 0.214 347 G HA3 -0.124 3.836 3.960 0.000 0.000 0.214 347 G C 1.687 176.574 174.900 -0.021 0.000 1.189 347 G CA 0.965 46.050 45.100 -0.025 0.000 0.789 347 G HN 0.297 nan 8.290 nan 0.000 0.533 348 V N 0.916 120.830 119.914 -0.001 0.000 2.626 348 V HA -0.106 4.014 4.120 0.000 0.000 0.252 348 V C 2.936 179.047 176.094 0.028 0.000 1.067 348 V CA 2.713 65.029 62.300 0.027 0.000 1.081 348 V CB -0.545 31.307 31.823 0.049 0.000 0.686 348 V HN 0.392 nan 8.190 nan 0.000 0.468 349 T N -0.296 114.226 114.554 -0.053 0.000 2.701 349 T HA -0.123 4.227 4.350 0.000 0.000 0.263 349 T C 1.799 176.232 174.700 -0.445 0.000 1.040 349 T CA 1.767 63.748 62.100 -0.197 0.000 1.147 349 T CB -0.181 68.551 68.868 -0.226 0.000 0.865 349 T HN 0.355 nan 8.240 nan 0.000 0.426 350 V N 2.157 121.878 119.914 -0.321 0.000 2.913 350 V HA -0.113 4.007 4.120 0.000 0.000 0.260 350 V C 2.671 178.745 176.094 -0.033 0.000 1.098 350 V CA 1.743 63.920 62.300 -0.205 0.000 1.121 350 V CB -0.672 31.136 31.823 -0.027 0.000 0.714 350 V HN 0.626 nan 8.190 nan 0.000 0.487 351 S N -0.527 115.174 115.700 0.002 0.000 2.425 351 S HA -0.187 4.283 4.470 0.000 0.000 0.225 351 S C 2.036 176.746 174.600 0.183 0.000 1.024 351 S CA 0.975 59.215 58.200 0.066 0.000 0.951 351 S CB -0.550 62.673 63.200 0.038 0.000 0.796 351 S HN 0.622 nan 8.310 nan 0.000 0.498 352 Y N 1.930 122.310 120.300 0.134 0.000 2.128 352 Y HA -0.085 4.465 4.550 0.000 0.000 0.284 352 Y C 1.731 177.859 175.900 0.379 0.000 1.154 352 Y CA 1.548 59.799 58.100 0.251 0.000 1.149 352 Y CB -0.802 37.692 38.460 0.057 0.000 0.976 352 Y HN 0.263 nan 8.280 nan 0.000 0.505 353 F N 1.129 121.001 119.950 -0.130 0.000 2.161 353 F HA -0.182 4.346 4.527 0.000 0.000 0.300 353 F C 2.590 178.123 175.800 -0.444 0.000 1.089 353 F CA 1.524 59.333 58.000 -0.318 0.000 1.282 353 F CB -1.302 37.652 39.000 -0.077 0.000 1.010 353 F HN 0.294 nan 8.300 nan 0.000 0.485 354 E N -0.776 119.421 120.200 -0.005 0.000 2.051 354 E HA -0.287 4.063 4.350 0.000 0.000 0.192 354 E C 2.284 178.880 176.600 -0.007 0.000 0.991 354 E CA 1.553 57.929 56.400 -0.039 0.000 0.799 354 E CB -0.543 29.180 29.700 0.037 0.000 0.748 354 E HN 0.425 nan 8.360 nan 0.000 0.449 355 W N 0.750 121.978 121.300 -0.121 0.000 2.338 355 W HA -0.243 4.418 4.660 0.000 0.000 0.304 355 W C 1.918 178.325 176.519 -0.188 0.000 1.212 355 W CA 1.709 58.990 57.345 -0.106 0.000 1.264 355 W CB -0.444 29.022 29.460 0.010 0.000 1.142 355 W HN -0.068 nan 8.180 nan 0.000 0.512 356 V N 1.067 120.874 119.914 -0.178 0.000 2.332 356 V HA -0.375 3.745 4.120 0.000 0.000 0.248 356 V C 2.364 178.209 176.094 -0.415 0.000 1.055 356 V CA 2.481 64.557 62.300 -0.374 0.000 1.038 356 V CB -1.142 30.556 31.823 -0.208 0.000 0.651 356 V HN 0.305 nan 8.190 nan 0.000 0.450 357 Q N -0.255 119.215 119.800 -0.550 0.000 2.096 357 Q HA -0.205 4.135 4.340 0.000 0.000 0.204 357 Q C 2.231 177.850 176.000 -0.634 0.000 0.982 357 Q CA 1.688 57.052 55.803 -0.732 0.000 0.850 357 Q CB -0.228 27.954 28.738 -0.925 0.000 0.901 357 Q HN 0.664 nan 8.270 nan 0.000 0.422 358 N N 0.833 119.328 118.700 -0.340 0.000 2.062 358 N HA -0.102 4.638 4.740 0.000 0.000 0.191 358 N C 1.783 177.179 175.510 -0.190 0.000 1.042 358 N CA 1.013 54.003 53.050 -0.101 0.000 0.845 358 N CB -0.348 38.161 38.487 0.037 0.000 1.024 358 N HN 0.197 nan 8.380 nan 0.000 0.424 359 I N 1.278 121.630 120.570 -0.364 0.000 2.502 359 I HA -0.239 3.931 4.170 0.000 0.000 0.258 359 I C 0.845 176.844 176.117 -0.198 0.000 1.172 359 I CA 1.151 62.231 61.300 -0.366 0.000 1.430 359 I CB -0.249 37.235 38.000 -0.861 0.000 1.086 359 I HN 0.244 nan 8.210 nan 0.000 0.440 360 N N -0.267 118.309 118.700 -0.208 0.000 2.254 360 N HA 0.087 4.827 4.740 0.000 0.000 0.190 360 N C 1.174 176.644 175.510 -0.067 0.000 1.107 360 N CA 0.522 53.509 53.050 -0.104 0.000 0.869 360 N CB 0.733 39.182 38.487 -0.064 0.000 0.983 360 N HN 0.342 nan 8.380 nan 0.000 0.487 361 G N 1.287 110.012 108.800 -0.124 0.000 2.203 361 G HA2 -0.319 3.641 3.960 0.000 0.000 0.263 361 G HA3 -0.319 3.641 3.960 0.000 0.000 0.263 361 G C -0.539 174.353 174.900 -0.013 0.000 1.012 361 G CA 0.590 45.662 45.100 -0.046 0.000 0.749 361 G HN 0.487 nan 8.290 nan 0.000 0.512 362 Y N -0.717 119.348 120.300 -0.393 0.000 2.433 362 Y HA 0.628 5.178 4.550 0.000 0.000 0.337 362 Y C -0.820 174.766 175.900 -0.523 0.000 1.026 362 Y CA -1.757 56.194 58.100 -0.248 0.000 1.037 362 Y CB 1.323 39.750 38.460 -0.054 0.000 1.245 362 Y HN 0.126 nan 8.280 nan 0.000 0.443 363 Y N 4.122 124.146 120.300 -0.460 0.000 2.377 363 Y HA 0.409 4.959 4.550 0.000 0.000 0.339 363 Y C -0.815 174.980 175.900 -0.176 0.000 1.011 363 Y CA -0.855 57.046 58.100 -0.331 0.000 1.093 363 Y CB 1.105 39.420 38.460 -0.241 0.000 1.201 363 Y HN 0.502 nan 8.280 nan 0.000 0.455 364 W N 1.560 122.838 121.300 -0.037 0.000 2.359 364 W HA 0.418 5.078 4.660 0.000 0.000 0.344 364 W C 0.323 176.843 176.519 0.000 0.000 1.170 364 W CA -1.591 55.737 57.345 -0.029 0.000 1.296 364 W CB 0.341 29.781 29.460 -0.033 0.000 1.197 364 W HN 0.490 nan 8.180 nan 0.000 0.618 365 T N -1.553 113.150 114.554 0.248 0.000 2.788 365 T HA 0.075 4.425 4.350 0.000 0.000 0.287 365 T C 1.126 175.922 174.700 0.159 0.000 1.007 365 T CA -0.395 61.794 62.100 0.147 0.000 1.005 365 T CB 1.316 70.244 68.868 0.099 0.000 1.012 365 T HN 0.374 nan 8.240 nan 0.000 0.530 366 E N 0.830 121.096 120.200 0.109 0.000 2.033 366 E HA -0.243 4.107 4.350 0.000 0.000 0.199 366 E C 2.178 178.845 176.600 0.111 0.000 1.011 366 E CA 1.916 58.378 56.400 0.103 0.000 0.815 366 E CB -0.428 29.313 29.700 0.067 0.000 0.755 366 E HN 0.952 nan 8.360 nan 0.000 0.451 367 E N 1.405 121.655 120.200 0.084 0.000 2.097 367 E HA -0.264 4.086 4.350 0.000 0.000 0.196 367 E C 1.735 178.371 176.600 0.059 0.000 1.000 367 E CA 1.596 58.037 56.400 0.068 0.000 0.804 367 E CB -0.236 29.491 29.700 0.045 0.000 0.740 367 E HN 0.342 nan 8.360 nan 0.000 0.454 368 E N 0.318 120.553 120.200 0.059 0.000 2.072 368 E HA -0.117 4.234 4.350 0.000 0.000 0.191 368 E C 2.343 178.956 176.600 0.022 0.000 0.985 368 E CA 1.396 57.787 56.400 -0.016 0.000 0.801 368 E CB 0.067 29.747 29.700 -0.033 0.000 0.750 368 E HN 0.140 nan 8.360 nan 0.000 0.452 369 V N 1.189 121.243 119.914 0.235 0.000 2.343 369 V HA -0.281 3.839 4.120 0.000 0.000 0.247 369 V C 2.409 178.698 176.094 0.324 0.000 1.051 369 V CA 1.870 64.392 62.300 0.371 0.000 1.036 369 V CB -0.507 31.558 31.823 0.404 0.000 0.654 369 V HN 0.226 nan 8.190 nan 0.000 0.451 370 R N 0.016 120.660 120.500 0.241 0.000 2.073 370 R HA -0.209 4.131 4.340 0.000 0.000 0.234 370 R C 2.362 178.786 176.300 0.206 0.000 1.134 370 R CA 2.104 58.368 56.100 0.274 0.000 0.952 370 R CB -0.230 30.201 30.300 0.218 0.000 0.850 370 R HN 0.619 nan 8.270 nan 0.000 0.433 371 E N 0.046 120.291 120.200 0.076 0.000 2.085 371 E HA -0.222 4.128 4.350 0.000 0.000 0.194 371 E C 2.048 178.614 176.600 -0.057 0.000 0.994 371 E CA 1.617 57.996 56.400 -0.034 0.000 0.801 371 E CB 0.079 29.737 29.700 -0.071 0.000 0.743 371 E HN 0.182 nan 8.360 nan 0.000 0.453 372 K N 0.261 120.638 120.400 -0.038 0.000 2.062 372 K HA -0.108 4.212 4.320 0.000 0.000 0.205 372 K C 1.927 178.723 176.600 0.326 0.000 1.051 372 K CA 0.432 56.708 56.287 -0.018 0.000 0.941 372 K CB -0.166 32.076 32.500 -0.431 0.000 0.719 372 K HN -0.003 nan 8.250 nan 0.000 0.440 373 L N 1.527 123.052 121.223 0.504 0.000 2.017 373 L HA -0.214 4.126 4.340 0.000 0.000 0.208 373 L C 1.846 178.828 176.870 0.188 0.000 1.073 373 L CA 1.943 57.081 54.840 0.498 0.000 0.745 373 L CB -0.744 41.643 42.059 0.546 0.000 0.894 373 L HN 0.272 nan 8.230 nan 0.000 0.432 374 D N -0.162 120.093 120.400 -0.242 0.000 2.137 374 D HA -0.280 4.360 4.640 0.000 0.000 0.189 374 D C 2.107 178.198 176.300 -0.348 0.000 0.998 374 D CA 1.796 55.203 54.000 -0.990 0.000 0.839 374 D CB -0.032 40.158 40.800 -1.016 0.000 0.962 374 D HN 0.335 nan 8.370 nan 0.000 0.446 375 K N -0.012 120.293 120.400 -0.157 0.000 2.034 375 K HA -0.189 4.131 4.320 0.000 0.000 0.214 375 K C 2.286 178.915 176.600 0.049 0.000 1.051 375 K CA 1.197 57.462 56.287 -0.036 0.000 0.931 375 K CB -0.070 32.429 32.500 -0.003 0.000 0.715 375 K HN 0.094 nan 8.250 nan 0.000 0.446 376 K N 0.096 120.569 120.400 0.122 0.000 2.025 376 K HA -0.060 4.260 4.320 0.000 0.000 0.207 376 K C 2.133 178.807 176.600 0.123 0.000 1.049 376 K CA 1.087 57.467 56.287 0.155 0.000 0.933 376 K CB -0.091 32.550 32.500 0.235 0.000 0.714 376 K HN 0.144 nan 8.250 nan 0.000 0.438 377 M N 0.376 120.057 119.600 0.134 0.000 2.132 377 M HA -0.090 4.390 4.480 0.000 0.000 0.263 377 M C 2.161 178.559 176.300 0.163 0.000 1.065 377 M CA 1.511 56.907 55.300 0.159 0.000 1.122 377 M CB -1.410 31.352 32.600 0.269 0.000 1.365 377 M HN 0.046 nan 8.290 nan 0.000 0.411 378 T N 0.529 115.164 114.554 0.135 0.000 2.720 378 T HA -0.179 4.171 4.350 0.000 0.000 0.268 378 T C 1.916 176.815 174.700 0.332 0.000 1.037 378 T CA 1.542 63.774 62.100 0.220 0.000 1.144 378 T CB -0.131 68.821 68.868 0.140 0.000 0.864 378 T HN 0.380 nan 8.240 nan 0.000 0.444 379 K N 0.790 121.324 120.400 0.224 0.000 2.167 379 K HA 0.104 4.424 4.320 0.000 0.000 0.203 379 K C 2.458 179.157 176.600 0.164 0.000 1.052 379 K CA 0.912 57.333 56.287 0.223 0.000 0.956 379 K CB -0.207 32.375 32.500 0.136 0.000 0.735 379 K HN 0.274 nan 8.250 nan 0.000 0.451 380 A N 0.949 123.835 122.820 0.109 0.000 1.898 380 A HA -0.143 4.177 4.320 0.000 0.000 0.216 380 A C 1.930 179.486 177.584 -0.047 0.000 1.181 380 A CA 1.089 53.144 52.037 0.030 0.000 0.620 380 A CB -0.740 18.273 19.000 0.021 0.000 0.819 380 A HN 0.481 nan 8.150 nan 0.000 0.442 381 F N -0.759 119.124 119.950 -0.112 0.000 2.069 381 F HA -0.190 4.337 4.527 0.000 0.000 0.298 381 F C 2.002 177.574 175.800 -0.380 0.000 1.113 381 F CA 1.855 59.686 58.000 -0.282 0.000 1.214 381 F CB -0.596 38.169 39.000 -0.391 0.000 0.978 381 F HN 0.382 nan 8.300 nan 0.000 0.474 382 W N 0.911 122.204 121.300 -0.011 0.000 2.342 382 W HA -0.163 4.497 4.660 0.000 0.000 0.297 382 W C 2.589 179.079 176.519 -0.049 0.000 1.213 382 W CA 1.694 59.030 57.345 -0.014 0.000 1.251 382 W CB -0.643 28.865 29.460 0.079 0.000 1.136 382 W HN 0.106 nan 8.180 nan 0.000 0.526 383 E N -0.073 120.168 120.200 0.068 0.000 2.051 383 E HA -0.214 4.136 4.350 0.000 0.000 0.192 383 E C 2.018 178.572 176.600 -0.077 0.000 0.991 383 E CA 1.875 58.290 56.400 0.024 0.000 0.799 383 E CB -0.230 29.480 29.700 0.016 0.000 0.748 383 E HN 0.014 nan 8.360 nan 0.000 0.449 384 V N 0.173 119.958 119.914 -0.215 0.000 2.307 384 V HA -0.245 3.875 4.120 0.000 0.000 0.245 384 V C 1.948 177.872 176.094 -0.284 0.000 1.045 384 V CA 1.925 64.061 62.300 -0.274 0.000 1.024 384 V CB -0.640 30.952 31.823 -0.385 0.000 0.651 384 V HN 0.385 nan 8.190 nan 0.000 0.449 385 Y N 1.825 121.757 120.300 -0.613 0.000 2.081 385 Y HA -0.331 4.220 4.550 0.000 0.000 0.280 385 Y C 2.387 178.244 175.900 -0.071 0.000 1.163 385 Y CA 2.489 60.332 58.100 -0.428 0.000 1.135 385 Y CB -0.526 37.441 38.460 -0.822 0.000 0.970 385 Y HN 0.369 nan 8.280 nan 0.000 0.498 386 N N -1.465 117.303 118.700 0.112 0.000 2.223 386 N HA -0.161 4.579 4.740 0.000 0.000 0.185 386 N C 1.532 177.023 175.510 -0.033 0.000 1.016 386 N CA 1.563 54.669 53.050 0.092 0.000 0.863 386 N CB -0.203 38.396 38.487 0.186 0.000 0.983 386 N HN 0.306 nan 8.380 nan 0.000 0.429 387 T N -0.382 114.150 114.554 -0.037 0.000 2.821 387 T HA -0.163 4.187 4.350 0.000 0.000 0.267 387 T C 1.674 176.339 174.700 -0.059 0.000 1.046 387 T CA 1.345 63.422 62.100 -0.039 0.000 1.139 387 T CB -0.357 68.493 68.868 -0.030 0.000 0.871 387 T HN 0.510 nan 8.240 nan 0.000 0.454 388 H N 1.745 120.675 119.070 -0.233 0.000 2.357 388 H HA 0.038 4.595 4.556 0.000 0.000 0.301 388 H C 2.104 177.267 175.328 -0.274 0.000 1.082 388 H CA 1.366 57.249 56.048 -0.275 0.000 1.342 388 H CB -0.010 29.531 29.762 -0.368 0.000 1.389 388 H HN -0.018 nan 8.280 nan 0.000 0.511 389 K N 0.705 120.706 120.400 -0.666 0.000 1.984 389 K HA -0.094 4.226 4.320 0.000 0.000 0.209 389 K C 1.893 178.330 176.600 -0.271 0.000 1.046 389 K CA 1.430 57.370 56.287 -0.578 0.000 0.934 389 K CB -0.547 31.677 32.500 -0.460 0.000 0.717 389 K HN 0.455 nan 8.250 nan 0.000 0.438 390 D N 0.789 121.093 120.400 -0.161 0.000 2.178 390 D HA -0.109 4.531 4.640 0.000 0.000 0.201 390 D C 1.478 177.739 176.300 -0.066 0.000 0.980 390 D CA 1.054 55.004 54.000 -0.082 0.000 0.842 390 D CB 0.096 40.873 40.800 -0.038 0.000 0.948 390 D HN 0.196 nan 8.370 nan 0.000 0.472 391 K N 0.044 120.401 120.400 -0.071 0.000 2.367 391 K HA 0.011 4.331 4.320 0.000 0.000 0.194 391 K C 0.099 176.673 176.600 -0.043 0.000 1.027 391 K CA -0.142 56.126 56.287 -0.032 0.000 1.075 391 K CB 0.283 32.783 32.500 0.001 0.000 0.845 391 K HN -0.078 nan 8.250 nan 0.000 0.529 392 N N 1.842 120.477 118.700 -0.108 0.000 2.671 392 N HA -0.178 4.562 4.740 0.000 0.000 0.261 392 N C -0.856 174.619 175.510 -0.057 0.000 1.053 392 N CA 0.659 53.644 53.050 -0.109 0.000 0.732 392 N CB -1.562 36.886 38.487 -0.066 0.000 0.887 392 N HN 0.431 nan 8.380 nan 0.000 0.546 393 I N -3.307 117.228 120.570 -0.059 0.000 3.074 393 I HA 0.479 4.649 4.170 0.000 0.000 0.310 393 I C 0.520 176.650 176.117 0.022 0.000 1.153 393 I CA -1.189 60.067 61.300 -0.073 0.000 0.993 393 I CB 1.766 39.632 38.000 -0.224 0.000 1.237 393 I HN 0.064 nan 8.210 nan 0.000 0.443 394 H N 3.454 122.451 119.070 -0.122 0.000 2.852 394 H HA 0.110 4.666 4.556 0.000 0.000 0.362 394 H C 0.752 175.974 175.328 -0.177 0.000 1.122 394 H CA 0.371 56.355 56.048 -0.107 0.000 1.419 394 H CB 1.266 30.954 29.762 -0.124 0.000 1.401 394 H HN 0.688 nan 8.280 nan 0.000 0.609 395 M N 3.702 123.007 119.600 -0.491 0.000 2.106 395 M HA -0.225 4.255 4.480 0.000 0.000 0.259 395 M C 2.345 178.621 176.300 -0.040 0.000 1.068 395 M CA 1.514 56.586 55.300 -0.380 0.000 1.100 395 M CB -0.868 31.439 32.600 -0.490 0.000 1.351 395 M HN 0.674 nan 8.290 nan 0.000 0.404 396 R N 0.370 121.053 120.500 0.305 0.000 2.080 396 R HA -0.176 4.164 4.340 0.000 0.000 0.236 396 R C 1.650 178.072 176.300 0.203 0.000 1.137 396 R CA 1.872 58.086 56.100 0.190 0.000 0.943 396 R CB -0.139 30.230 30.300 0.115 0.000 0.846 396 R HN 0.362 nan 8.270 nan 0.000 0.431 397 D N -0.126 120.324 120.400 0.083 0.000 2.218 397 D HA -0.127 4.514 4.640 0.000 0.000 0.204 397 D C 1.611 177.915 176.300 0.008 0.000 0.976 397 D CA 1.265 55.253 54.000 -0.021 0.000 0.853 397 D CB -0.052 40.460 40.800 -0.480 0.000 0.939 397 D HN 0.393 nan 8.370 nan 0.000 0.481 398 A N 1.276 124.072 122.820 -0.039 0.000 1.897 398 A HA 0.025 4.345 4.320 0.000 0.000 0.215 398 A C 2.372 179.917 177.584 -0.065 0.000 1.181 398 A CA 1.745 53.749 52.037 -0.054 0.000 0.620 398 A CB -0.583 18.362 19.000 -0.091 0.000 0.821 398 A HN 0.215 nan 8.150 nan 0.000 0.443 399 A N -1.419 121.319 122.820 -0.136 0.000 1.940 399 A HA -0.154 4.166 4.320 0.000 0.000 0.219 399 A C 2.090 179.614 177.584 -0.100 0.000 1.176 399 A CA 1.711 53.567 52.037 -0.302 0.000 0.631 399 A CB -0.777 17.797 19.000 -0.709 0.000 0.814 399 A HN 0.626 nan 8.150 nan 0.000 0.446 400 Y N -0.964 119.419 120.300 0.139 0.000 2.243 400 Y HA -0.088 4.462 4.550 0.000 0.000 0.293 400 Y C 2.579 178.471 175.900 -0.013 0.000 1.124 400 Y CA 1.305 59.477 58.100 0.119 0.000 1.159 400 Y CB -0.081 38.393 38.460 0.025 0.000 1.008 400 Y HN 0.102 nan 8.280 nan 0.000 0.527 401 V N -1.156 118.848 119.914 0.150 0.000 2.407 401 V HA -0.253 3.867 4.120 0.000 0.000 0.248 401 V C 2.095 178.228 176.094 0.066 0.000 1.055 401 V CA 1.414 63.768 62.300 0.090 0.000 1.049 401 V CB -0.637 31.240 31.823 0.089 0.000 0.662 401 V HN 0.217 nan 8.190 nan 0.000 0.455 402 V N 0.144 120.085 119.914 0.045 0.000 2.307 402 V HA -0.239 3.881 4.120 0.000 0.000 0.245 402 V C 2.677 178.822 176.094 0.086 0.000 1.045 402 V CA 2.042 64.366 62.300 0.040 0.000 1.024 402 V CB -1.018 30.797 31.823 -0.013 0.000 0.651 402 V HN 0.558 nan 8.190 nan 0.000 0.449 403 A N -0.152 122.741 122.820 0.122 0.000 1.845 403 A HA -0.180 4.140 4.320 0.000 0.000 0.215 403 A C 2.346 180.079 177.584 0.249 0.000 1.195 403 A CA 2.262 54.442 52.037 0.239 0.000 0.616 403 A CB -0.857 18.371 19.000 0.380 0.000 0.832 403 A HN 0.327 nan 8.150 nan 0.000 0.443 404 V N -0.088 119.865 119.914 0.065 0.000 2.594 404 V HA -0.187 3.933 4.120 0.000 0.000 0.253 404 V C 2.725 178.906 176.094 0.146 0.000 1.069 404 V CA 2.130 64.423 62.300 -0.012 0.000 1.082 404 V CB -0.688 30.957 31.823 -0.296 0.000 0.680 404 V HN 0.545 nan 8.190 nan 0.000 0.469 405 S N -0.598 115.183 115.700 0.135 0.000 2.368 405 S HA -0.151 4.319 4.470 0.000 0.000 0.224 405 S C 2.137 176.834 174.600 0.160 0.000 1.029 405 S CA 1.265 59.569 58.200 0.173 0.000 0.988 405 S CB -0.241 63.030 63.200 0.118 0.000 0.838 405 S HN 0.526 nan 8.310 nan 0.000 0.462 406 R N 0.498 121.082 120.500 0.140 0.000 2.080 406 R HA -0.095 4.245 4.340 0.000 0.000 0.236 406 R C 2.249 178.619 176.300 0.118 0.000 1.137 406 R CA 1.632 57.798 56.100 0.111 0.000 0.943 406 R CB -0.856 29.516 30.300 0.119 0.000 0.846 406 R HN 0.284 nan 8.270 nan 0.000 0.431 407 V N 0.237 120.276 119.914 0.208 0.000 2.343 407 V HA -0.274 3.846 4.120 0.000 0.000 0.247 407 V C 2.060 178.245 176.094 0.153 0.000 1.051 407 V CA 1.787 64.208 62.300 0.203 0.000 1.036 407 V CB -0.744 31.310 31.823 0.385 0.000 0.654 407 V HN 0.319 nan 8.190 nan 0.000 0.451 408 Y N 1.251 121.579 120.300 0.046 0.000 2.181 408 Y HA -0.242 4.308 4.550 0.000 0.000 0.288 408 Y C 2.621 178.474 175.900 -0.080 0.000 1.146 408 Y CA 2.058 60.144 58.100 -0.023 0.000 1.164 408 Y CB -0.600 37.864 38.460 0.007 0.000 0.982 408 Y HN 0.253 nan 8.280 nan 0.000 0.515 409 Q N 0.649 120.383 119.800 -0.110 0.000 2.030 409 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 409 Q C 2.475 178.344 176.000 -0.218 0.000 0.986 409 Q CA 2.385 58.054 55.803 -0.223 0.000 0.843 409 Q CB -0.977 27.693 28.738 -0.113 0.000 0.904 409 Q HN 0.532 nan 8.270 nan 0.000 0.420 410 A N -0.003 122.716 122.820 -0.168 0.000 1.892 410 A HA -0.250 4.070 4.320 0.000 0.000 0.218 410 A C 2.178 179.504 177.584 -0.430 0.000 1.188 410 A CA 2.105 53.997 52.037 -0.242 0.000 0.631 410 A CB -0.673 18.217 19.000 -0.184 0.000 0.822 410 A HN 0.526 nan 8.150 nan 0.000 0.447 411 M N -0.989 118.352 119.600 -0.431 0.000 2.086 411 M HA -0.182 4.298 4.480 0.000 0.000 0.261 411 M C 2.222 178.249 176.300 -0.456 0.000 1.067 411 M CA 1.892 56.836 55.300 -0.594 0.000 1.116 411 M CB -0.354 32.022 32.600 -0.373 0.000 1.348 411 M HN 0.323 nan 8.290 nan 0.000 0.407 412 K N 0.130 120.322 120.400 -0.347 0.000 2.057 412 K HA -0.159 4.162 4.320 0.000 0.000 0.207 412 K C 1.389 177.844 176.600 -0.241 0.000 1.049 412 K CA 1.273 57.386 56.287 -0.290 0.000 0.931 412 K CB -0.181 32.089 32.500 -0.384 0.000 0.714 412 K HN 0.270 nan 8.250 nan 0.000 0.440 413 D N 0.137 120.383 120.400 -0.256 0.000 2.312 413 D HA -0.072 4.568 4.640 0.000 0.000 0.211 413 D C 1.490 177.674 176.300 -0.193 0.000 0.964 413 D CA 0.852 54.736 54.000 -0.193 0.000 0.877 413 D CB 0.108 40.808 40.800 -0.167 0.000 0.924 413 D HN 0.144 nan 8.370 nan 0.000 0.515 414 R N -0.689 119.625 120.500 -0.309 0.000 2.276 414 R HA 0.192 4.533 4.340 0.000 0.000 0.196 414 R C 1.333 177.583 176.300 -0.085 0.000 0.961 414 R CA 0.591 56.526 56.100 -0.275 0.000 1.024 414 R CB 0.485 30.386 30.300 -0.666 0.000 0.940 414 R HN 0.099 nan 8.270 nan 0.000 0.480 415 G N -0.137 108.614 108.800 -0.082 0.000 2.143 415 G HA2 -0.207 3.753 3.960 0.000 0.000 0.249 415 G HA3 -0.207 3.753 3.960 0.000 0.000 0.249 415 G C 0.351 175.352 174.900 0.169 0.000 0.981 415 G CA 0.119 45.244 45.100 0.042 0.000 0.665 415 G HN 0.260 nan 8.290 nan 0.000 0.528 416 W N 0.015 121.216 121.300 -0.165 0.000 2.358 416 W HA 0.300 4.960 4.660 0.000 0.000 0.303 416 W C 1.606 177.934 176.519 -0.319 0.000 1.208 416 W CA 1.395 58.561 57.345 -0.298 0.000 1.274 416 W CB -0.808 28.204 29.460 -0.747 0.000 1.138 416 W HN 0.795 nan 8.180 nan 0.000 0.515 417 V N -1.423 118.452 119.914 -0.065 0.000 2.656 417 V HA 0.457 4.577 4.120 0.000 0.000 0.307 417 V C 0.585 176.682 176.094 0.006 0.000 1.051 417 V CA -1.367 60.928 62.300 -0.008 0.000 0.893 417 V CB 2.070 33.885 31.823 -0.014 0.000 0.999 417 V HN -0.141 nan 8.190 nan 0.000 0.426 418 K N 1.992 122.416 120.400 0.040 0.000 2.525 418 K HA 0.270 4.590 4.320 0.000 0.000 0.192 418 K C 0.246 176.853 176.600 0.011 0.000 1.029 418 K CA 0.411 56.712 56.287 0.023 0.000 1.029 418 K CB 0.157 32.680 32.500 0.039 0.000 0.814 418 K HN 0.764 nan 8.250 nan 0.000 0.503 419 K N 0.000 120.421 120.400 0.035 0.000 2.780 419 K HA 0.000 4.320 4.320 0.000 0.000 0.191 419 K CA 0.000 56.329 56.287 0.070 0.000 0.838 419 K CB 0.000 32.553 32.500 0.088 0.000 1.064 419 K HN 0.000 nan 8.250 nan 0.000 0.543