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 1l0e_1_A DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSQTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.506 177.584 -0.130 0.000 1.274 4 A CA 0.000 52.016 52.037 -0.035 0.000 0.836 4 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 5 P HA 0.088 nan 4.420 nan 0.000 0.261 5 P C 0.901 178.099 177.300 -0.169 0.000 1.173 5 P CA 0.174 63.133 63.100 -0.235 0.000 0.760 5 P CB 0.604 32.069 31.700 -0.391 0.000 0.783 6 Q N 2.432 122.178 119.800 -0.091 0.000 2.181 6 Q HA -0.298 4.028 4.340 -0.022 0.000 0.205 6 Q C 1.946 177.909 176.000 -0.062 0.000 0.980 6 Q CA 1.577 57.353 55.803 -0.045 0.000 0.862 6 Q CB -0.035 28.689 28.738 -0.025 0.000 0.905 6 Q HN 0.551 nan 8.270 nan 0.000 0.429 7 Q N 0.136 119.870 119.800 -0.110 0.000 2.061 7 Q HA -0.204 4.122 4.340 -0.022 0.000 0.204 7 Q C 1.958 177.873 176.000 -0.142 0.000 0.984 7 Q CA 1.776 57.510 55.803 -0.115 0.000 0.846 7 Q CB -0.136 28.515 28.738 -0.145 0.000 0.902 7 Q HN 0.534 nan 8.270 nan 0.000 0.421 8 I N 1.080 121.512 120.570 -0.229 0.000 2.163 8 I HA -0.292 3.865 4.170 -0.022 0.000 0.240 8 I C 2.619 178.676 176.117 -0.101 0.000 1.081 8 I CA 1.153 62.320 61.300 -0.222 0.000 1.353 8 I CB -0.714 37.065 38.000 -0.367 0.000 1.054 8 I HN 0.424 nan 8.210 nan 0.000 0.407 9 N N 1.268 119.986 118.700 0.029 0.000 2.036 9 N HA -0.254 4.472 4.740 -0.022 0.000 0.195 9 N C 1.433 177.033 175.510 0.150 0.000 1.037 9 N CA 2.337 55.516 53.050 0.215 0.000 0.855 9 N CB -0.178 38.452 38.487 0.238 0.000 1.033 9 N HN 0.264 nan 8.380 nan 0.000 0.423 10 D N 0.770 121.211 120.400 0.068 0.000 2.084 10 D HA -0.140 4.487 4.640 -0.022 0.000 0.194 10 D C 1.991 178.307 176.300 0.026 0.000 0.990 10 D CA 0.642 54.679 54.000 0.062 0.000 0.826 10 D CB -0.538 40.276 40.800 0.025 0.000 0.971 10 D HN 0.334 nan 8.370 nan 0.000 0.453 11 I N 0.604 121.154 120.570 -0.033 0.000 2.226 11 I HA -0.220 3.937 4.170 -0.022 0.000 0.245 11 I C 2.151 178.216 176.117 -0.087 0.000 1.100 11 I CA 0.918 62.190 61.300 -0.046 0.000 1.374 11 I CB -0.166 37.800 38.000 -0.057 0.000 1.057 11 I HN -0.178 nan 8.210 nan 0.000 0.413 12 V N 0.808 120.598 119.914 -0.206 0.000 2.233 12 V HA -0.342 3.765 4.120 -0.022 0.000 0.247 12 V C 2.588 178.551 176.094 -0.217 0.000 1.050 12 V CA 2.320 64.406 62.300 -0.356 0.000 1.010 12 V CB -1.127 30.117 31.823 -0.965 0.000 0.637 12 V HN 0.472 nan 8.190 nan 0.000 0.444 13 H N 0.353 119.401 119.070 -0.036 0.000 2.352 13 H HA -0.101 4.441 4.556 -0.023 0.000 0.299 13 H C 2.538 177.894 175.328 0.047 0.000 1.097 13 H CA 1.770 57.899 56.048 0.134 0.000 1.311 13 H CB -0.125 29.745 29.762 0.179 0.000 1.377 13 H HN 0.377 nan 8.280 nan 0.000 0.504 14 R N -0.267 120.309 120.500 0.127 0.000 2.189 14 R HA -0.051 4.276 4.340 -0.022 0.000 0.223 14 R C 1.968 178.277 176.300 0.015 0.000 1.092 14 R CA 1.288 57.427 56.100 0.064 0.000 0.989 14 R CB 0.121 30.450 30.300 0.048 0.000 0.876 14 R HN 0.225 nan 8.270 nan 0.000 0.457 15 T N 0.521 115.065 114.554 -0.018 0.000 2.953 15 T HA 0.100 4.436 4.350 -0.022 0.000 0.247 15 T C 1.724 176.361 174.700 -0.105 0.000 1.029 15 T CA 0.353 62.429 62.100 -0.039 0.000 1.144 15 T CB 0.202 69.053 68.868 -0.027 0.000 0.870 15 T HN -0.008 nan 8.240 nan 0.000 0.446 16 I N 2.043 122.497 120.570 -0.193 0.000 2.439 16 I HA -0.063 4.094 4.170 -0.022 0.000 0.251 16 I C 2.523 178.373 176.117 -0.446 0.000 1.139 16 I CA 1.256 62.315 61.300 -0.403 0.000 1.438 16 I CB -1.779 35.758 38.000 -0.771 0.000 1.085 16 I HN 0.237 nan 8.210 nan 0.000 0.427 17 T N 2.150 116.541 114.554 -0.271 0.000 2.684 17 T HA -0.084 4.253 4.350 -0.022 0.000 0.267 17 T C -0.235 174.379 174.700 -0.143 0.000 1.036 17 T CA 1.647 63.638 62.100 -0.183 0.000 1.148 17 T CB -1.176 67.707 68.868 0.025 0.000 0.863 17 T HN 0.236 nan 8.240 nan 0.000 0.436 18 P HA 0.027 nan 4.420 nan 0.000 0.217 18 P C 1.599 178.835 177.300 -0.107 0.000 1.151 18 P CA 0.419 63.474 63.100 -0.074 0.000 0.828 18 P CB -0.118 31.556 31.700 -0.042 0.000 0.788 19 L N -0.437 120.695 121.223 -0.152 0.000 1.994 19 L HA -0.148 4.179 4.340 -0.022 0.000 0.208 19 L C 2.170 178.892 176.870 -0.245 0.000 1.071 19 L CA 1.871 56.599 54.840 -0.186 0.000 0.745 19 L CB -1.241 40.689 42.059 -0.215 0.000 0.892 19 L HN -0.144 nan 8.230 nan 0.000 0.431 20 I N -0.429 119.964 120.570 -0.294 0.000 2.208 20 I HA -0.311 3.846 4.170 -0.022 0.000 0.245 20 I C 2.592 178.614 176.117 -0.158 0.000 1.097 20 I CA 1.790 62.932 61.300 -0.263 0.000 1.363 20 I CB -0.438 37.390 38.000 -0.286 0.000 1.051 20 I HN 0.491 nan 8.210 nan 0.000 0.413 21 E N 0.538 120.666 120.200 -0.121 0.000 2.031 21 E HA -0.263 4.074 4.350 -0.022 0.000 0.193 21 E C 2.229 178.793 176.600 -0.061 0.000 0.994 21 E CA 1.199 57.559 56.400 -0.068 0.000 0.800 21 E CB 0.093 29.766 29.700 -0.045 0.000 0.752 21 E HN 0.380 nan 8.360 nan 0.000 0.447 22 Q N -0.060 119.700 119.800 -0.067 0.000 2.124 22 Q HA -0.120 4.206 4.340 -0.022 0.000 0.202 22 Q C 1.893 177.866 176.000 -0.044 0.000 0.977 22 Q CA 1.126 56.902 55.803 -0.046 0.000 0.850 22 Q CB -0.051 28.666 28.738 -0.036 0.000 0.901 22 Q HN 0.374 nan 8.270 nan 0.000 0.429 23 Q N 0.280 120.030 119.800 -0.083 0.000 2.360 23 Q HA 0.085 4.412 4.340 -0.022 0.000 0.202 23 Q C -0.233 175.734 176.000 -0.055 0.000 0.915 23 Q CA -0.025 55.737 55.803 -0.067 0.000 0.943 23 Q CB 0.417 29.058 28.738 -0.161 0.000 1.064 23 Q HN 0.349 nan 8.270 nan 0.000 0.511 24 K N 0.842 121.205 120.400 -0.063 0.000 3.148 24 K HA -0.175 4.131 4.320 -0.022 0.000 0.267 24 K C -0.532 176.042 176.600 -0.043 0.000 0.996 24 K CA 0.233 56.494 56.287 -0.044 0.000 0.737 24 K CB -1.911 30.575 32.500 -0.023 0.000 1.308 24 K HN 0.266 nan 8.250 nan 0.000 0.470 25 I N 0.679 121.203 120.570 -0.077 0.000 2.416 25 I HA 0.027 4.183 4.170 -0.022 0.000 0.288 25 I C -0.956 175.164 176.117 0.007 0.000 1.051 25 I CA -2.146 59.126 61.300 -0.048 0.000 1.375 25 I CB 0.875 38.787 38.000 -0.147 0.000 1.407 25 I HN -0.003 nan 8.210 nan 0.000 0.516 26 P HA -0.009 nan 4.420 nan 0.000 0.216 26 P C 0.357 177.762 177.300 0.175 0.000 1.153 26 P CA 0.502 63.619 63.100 0.028 0.000 0.844 26 P CB 0.297 31.905 31.700 -0.153 0.000 0.787 27 G N -1.504 107.440 108.800 0.240 0.000 2.718 27 G HA2 0.685 4.632 3.960 -0.022 0.000 0.295 27 G HA3 0.685 4.632 3.960 -0.022 0.000 0.295 27 G C -1.937 173.224 174.900 0.434 0.000 1.421 27 G CA -0.386 44.920 45.100 0.344 0.000 0.902 27 G HN 0.060 nan 8.290 nan 0.000 0.501 28 M N 0.832 120.725 119.600 0.487 0.000 2.471 28 M HA 0.724 5.191 4.480 -0.022 0.000 0.284 28 M C -1.635 174.982 176.300 0.528 0.000 1.203 28 M CA -0.572 54.980 55.300 0.420 0.000 0.915 28 M CB 2.235 34.963 32.600 0.214 0.000 1.734 28 M HN 1.178 nan 8.290 nan 0.000 0.485 29 A N 3.001 125.982 122.820 0.268 0.000 2.393 29 A HA 0.882 5.189 4.320 -0.022 0.000 0.306 29 A C -1.798 175.965 177.584 0.297 0.000 1.050 29 A CA -0.627 51.588 52.037 0.297 0.000 0.724 29 A CB 1.883 20.981 19.000 0.162 0.000 1.248 29 A HN 0.651 nan 8.150 nan 0.000 0.424 30 V N 0.785 120.975 119.914 0.460 0.000 2.709 30 V HA 0.807 4.914 4.120 -0.022 0.000 0.308 30 V C -0.006 176.373 176.094 0.474 0.000 1.062 30 V CA -0.177 62.385 62.300 0.437 0.000 0.901 30 V CB 1.918 34.044 31.823 0.506 0.000 1.003 30 V HN 1.483 nan 8.190 nan 0.000 0.425 31 A N 3.890 126.927 122.820 0.363 0.000 2.356 31 A HA 0.888 5.195 4.320 -0.022 0.000 0.310 31 A C -1.187 176.533 177.584 0.226 0.000 1.075 31 A CA -0.546 51.672 52.037 0.301 0.000 0.746 31 A CB 1.808 20.975 19.000 0.278 0.000 1.221 31 A HN 0.656 nan 8.150 nan 0.000 0.443 32 V N 3.303 123.358 119.914 0.234 0.000 2.459 32 V HA 0.392 4.498 4.120 -0.022 0.000 0.295 32 V C -0.804 175.396 176.094 0.178 0.000 1.029 32 V CA -0.334 62.087 62.300 0.202 0.000 0.874 32 V CB 1.459 33.418 31.823 0.226 0.000 0.985 32 V HN 0.732 nan 8.190 nan 0.000 0.438 33 I N 5.593 126.231 120.570 0.113 0.000 2.321 33 I HA 0.373 4.529 4.170 -0.022 0.000 0.291 33 I C -0.710 175.509 176.117 0.171 0.000 0.998 33 I CA -0.252 61.094 61.300 0.077 0.000 1.227 33 I CB 0.878 38.860 38.000 -0.030 0.000 1.368 33 I HN 0.607 nan 8.210 nan 0.000 0.466 34 Y N 5.570 125.935 120.300 0.108 0.000 2.329 34 Y HA 0.351 4.888 4.550 -0.022 0.000 0.328 34 Y C 0.120 176.070 175.900 0.082 0.000 0.992 34 Y CA -0.714 57.443 58.100 0.095 0.000 1.151 34 Y CB 1.048 39.588 38.460 0.133 0.000 1.150 34 Y HN 0.691 nan 8.280 nan 0.000 0.450 35 Q N 4.539 124.137 119.800 -0.337 0.000 2.475 35 Q HA -0.253 4.074 4.340 -0.022 0.000 0.280 35 Q C 1.040 176.984 176.000 -0.094 0.000 1.234 35 Q CA 1.166 56.813 55.803 -0.260 0.000 0.873 35 Q CB -1.680 26.892 28.738 -0.278 0.000 1.256 35 Q HN 1.448 nan 8.270 nan 0.000 0.475 36 G N -0.555 108.195 108.800 -0.082 0.000 2.184 36 G HA2 -0.336 3.611 3.960 -0.022 0.000 0.264 36 G HA3 -0.336 3.611 3.960 -0.022 0.000 0.264 36 G C 0.009 174.869 174.900 -0.067 0.000 0.975 36 G CA 0.779 45.833 45.100 -0.077 0.000 0.642 36 G HN 0.289 nan 8.290 nan 0.000 0.536 37 K N 1.070 121.447 120.400 -0.038 0.000 2.259 37 K HA 0.559 4.866 4.320 -0.022 0.000 0.252 37 K C -2.693 173.709 176.600 -0.330 0.000 0.936 37 K CA -1.956 54.226 56.287 -0.176 0.000 0.810 37 K CB 3.140 35.529 32.500 -0.185 0.000 1.143 37 K HN 0.072 nan 8.250 nan 0.000 0.427 38 P HA 0.265 nan 4.420 nan 0.000 0.290 38 P C -1.539 175.107 177.300 -1.090 0.000 1.275 38 P CA -0.518 62.215 63.100 -0.612 0.000 0.841 38 P CB 0.785 32.180 31.700 -0.509 0.000 1.042 39 Y N 0.928 120.920 120.300 -0.512 0.000 2.361 39 Y HA 0.422 4.958 4.550 -0.022 0.000 0.337 39 Y C -0.029 175.519 175.900 -0.586 0.000 0.965 39 Y CA -0.475 57.336 58.100 -0.482 0.000 1.091 39 Y CB 1.769 40.160 38.460 -0.114 0.000 1.182 39 Y HN 0.284 nan 8.280 nan 0.000 0.450 40 Y N 2.641 122.791 120.300 -0.250 0.000 2.420 40 Y HA 0.696 5.233 4.550 -0.022 0.000 0.334 40 Y C -0.886 174.527 175.900 -0.812 0.000 1.094 40 Y CA -1.163 56.761 58.100 -0.293 0.000 1.126 40 Y CB 1.396 39.756 38.460 -0.167 0.000 1.217 40 Y HN 0.389 nan 8.280 nan 0.000 0.462 41 F N 0.226 120.226 119.950 0.084 0.000 2.591 41 F HA 0.632 5.145 4.527 -0.023 0.000 0.309 41 F C -0.307 175.278 175.800 -0.359 0.000 1.098 41 F CA -0.898 56.940 58.000 -0.271 0.000 0.937 41 F CB 2.553 41.337 39.000 -0.360 0.000 1.250 41 F HN 0.420 nan 8.300 nan 0.000 0.447 42 T N -1.450 112.798 114.554 -0.510 0.000 2.900 42 T HA 0.675 5.011 4.350 -0.022 0.000 0.303 42 T C -1.673 172.791 174.700 -0.394 0.000 1.142 42 T CA -0.751 61.226 62.100 -0.206 0.000 1.007 42 T CB 1.878 70.744 68.868 -0.003 0.000 1.156 42 T HN 0.623 nan 8.240 nan 0.000 0.490 43 W N 0.240 121.626 121.300 0.144 0.000 3.167 43 W HA 0.509 5.155 4.660 -0.023 0.000 0.324 43 W C 0.763 177.320 176.519 0.063 0.000 1.230 43 W CA -0.241 57.165 57.345 0.102 0.000 1.184 43 W CB 1.684 31.211 29.460 0.112 0.000 1.414 43 W HN 1.402 nan 8.180 nan 0.000 0.551 44 G N 1.199 110.130 108.800 0.219 0.000 2.562 44 G HA2 -0.302 3.645 3.960 -0.022 0.000 0.250 44 G HA3 -0.302 3.645 3.960 -0.022 0.000 0.250 44 G C -1.703 173.053 174.900 -0.239 0.000 1.269 44 G CA -0.260 44.889 45.100 0.083 0.000 0.919 44 G HN 0.502 nan 8.290 nan 0.000 0.574 45 Y N 0.258 120.647 120.300 0.149 0.000 2.377 45 Y HA 0.605 5.143 4.550 -0.020 0.000 0.339 45 Y C 1.344 177.347 175.900 0.172 0.000 1.011 45 Y CA 0.091 58.270 58.100 0.131 0.000 1.093 45 Y CB 1.948 40.447 38.460 0.066 0.000 1.201 45 Y HN 0.834 nan 8.280 nan 0.000 0.455 46 A N 1.078 124.048 122.820 0.249 0.000 1.975 46 A HA -0.015 4.292 4.320 -0.022 0.000 0.215 46 A C 0.201 178.002 177.584 0.361 0.000 1.170 46 A CA 1.340 53.504 52.037 0.211 0.000 0.656 46 A CB 0.079 19.137 19.000 0.097 0.000 0.821 46 A HN 0.648 nan 8.150 nan 0.000 0.449 47 D N -1.145 119.498 120.400 0.405 0.000 2.479 47 D HA 0.388 5.014 4.640 -0.022 0.000 0.246 47 D C 0.632 177.131 176.300 0.332 0.000 1.336 47 D CA -0.452 53.824 54.000 0.460 0.000 0.967 47 D CB 0.654 41.709 40.800 0.424 0.000 1.275 47 D HN 0.130 nan 8.370 nan 0.000 0.577 48 I N 2.152 122.856 120.570 0.224 0.000 2.142 48 I HA -0.235 3.921 4.170 -0.022 0.000 0.240 48 I C 2.459 178.528 176.117 -0.081 0.000 1.078 48 I CA 1.324 62.578 61.300 -0.077 0.000 1.343 48 I CB -0.148 37.694 38.000 -0.264 0.000 1.046 48 I HN 0.448 nan 8.210 nan 0.000 0.405 49 A N 0.797 123.608 122.820 -0.015 0.000 1.908 49 A HA -0.218 4.088 4.320 -0.022 0.000 0.218 49 A C 2.167 179.747 177.584 -0.007 0.000 1.181 49 A CA 1.715 53.727 52.037 -0.041 0.000 0.627 49 A CB -0.448 18.513 19.000 -0.065 0.000 0.818 49 A HN 0.376 nan 8.150 nan 0.000 0.445 50 K N -0.700 119.733 120.400 0.055 0.000 2.417 50 K HA 0.111 4.418 4.320 -0.022 0.000 0.196 50 K C -0.400 176.272 176.600 0.120 0.000 1.023 50 K CA 0.163 56.500 56.287 0.083 0.000 1.122 50 K CB 0.110 32.681 32.500 0.117 0.000 0.850 50 K HN 0.460 nan 8.250 nan 0.000 0.521 51 K N 1.419 121.896 120.400 0.129 0.000 3.035 51 K HA -0.184 4.122 4.320 -0.022 0.000 0.262 51 K C -0.705 176.136 176.600 0.402 0.000 1.024 51 K CA 0.569 57.017 56.287 0.267 0.000 0.748 51 K CB -1.040 31.564 32.500 0.173 0.000 1.247 51 K HN 0.191 nan 8.250 nan 0.000 0.482 52 Q N 0.533 120.540 119.800 0.344 0.000 2.294 52 Q HA 0.222 4.548 4.340 -0.022 0.000 0.257 52 Q C -2.055 174.039 176.000 0.156 0.000 0.955 52 Q CA -1.845 54.087 55.803 0.215 0.000 0.936 52 Q CB 0.977 29.825 28.738 0.184 0.000 1.188 52 Q HN 0.150 nan 8.270 nan 0.000 0.420 53 P HA 0.138 nan 4.420 nan 0.000 0.276 53 P C -0.258 177.018 177.300 -0.041 0.000 1.252 53 P CA -0.455 62.531 63.100 -0.191 0.000 0.802 53 P CB 0.995 32.579 31.700 -0.194 0.000 1.035 54 V N 1.959 121.867 119.914 -0.012 0.000 2.555 54 V HA 0.262 4.369 4.120 -0.022 0.000 0.286 54 V C 1.203 177.343 176.094 0.078 0.000 1.044 54 V CA 0.606 62.976 62.300 0.116 0.000 1.026 54 V CB 0.452 32.447 31.823 0.285 0.000 0.981 54 V HN 0.881 nan 8.190 nan 0.000 0.480 55 T N 1.509 116.112 114.554 0.082 0.000 2.773 55 T HA 0.355 4.692 4.350 -0.022 0.000 0.278 55 T C 0.470 175.194 174.700 0.038 0.000 1.011 55 T CA -0.714 61.401 62.100 0.025 0.000 1.014 55 T CB 1.625 70.485 68.868 -0.013 0.000 1.293 55 T HN 0.440 nan 8.240 nan 0.000 0.554 56 Q N -0.396 119.370 119.800 -0.056 0.000 2.488 56 Q HA -0.003 4.323 4.340 -0.022 0.000 0.211 56 Q C 1.237 177.166 176.000 -0.118 0.000 0.967 56 Q CA 0.932 56.651 55.803 -0.139 0.000 0.926 56 Q CB -0.082 28.463 28.738 -0.323 0.000 0.992 56 Q HN 0.545 nan 8.270 nan 0.000 0.506 57 Q N -0.759 118.995 119.800 -0.077 0.000 2.282 57 Q HA 0.101 4.427 4.340 -0.022 0.000 0.206 57 Q C -0.167 175.828 176.000 -0.009 0.000 0.878 57 Q CA 0.237 55.982 55.803 -0.096 0.000 0.944 57 Q CB 1.030 29.685 28.738 -0.139 0.000 1.100 57 Q HN 0.053 nan 8.270 nan 0.000 0.509 58 T N 1.181 115.770 114.554 0.058 0.000 2.888 58 T HA 0.244 4.581 4.350 -0.022 0.000 0.301 58 T C -0.047 174.709 174.700 0.092 0.000 1.001 58 T CA 0.015 62.142 62.100 0.045 0.000 1.147 58 T CB 0.322 69.202 68.868 0.021 0.000 0.931 58 T HN 0.131 nan 8.240 nan 0.000 0.541 59 L N 3.809 125.041 121.223 0.014 0.000 2.289 59 L HA 0.545 4.871 4.340 -0.022 0.000 0.285 59 L C -0.577 176.276 176.870 -0.028 0.000 1.049 59 L CA -0.596 54.274 54.840 0.049 0.000 0.804 59 L CB 0.573 42.602 42.059 -0.050 0.000 1.195 59 L HN 0.540 nan 8.230 nan 0.000 0.428 60 F N 0.551 120.531 119.950 0.050 0.000 2.522 60 F HA 0.365 4.880 4.527 -0.020 0.000 0.324 60 F C 0.377 175.953 175.800 -0.373 0.000 1.077 60 F CA -0.819 57.162 58.000 -0.032 0.000 0.944 60 F CB 1.608 40.736 39.000 0.213 0.000 1.175 60 F HN 0.389 nan 8.300 nan 0.000 0.468 61 E N 2.778 122.462 120.200 -0.861 0.000 2.290 61 E HA 0.181 4.518 4.350 -0.022 0.000 0.277 61 E C 0.463 176.995 176.600 -0.113 0.000 1.035 61 E CA -0.066 56.026 56.400 -0.513 0.000 0.873 61 E CB 0.894 30.188 29.700 -0.677 0.000 1.029 61 E HN 0.621 nan 8.360 nan 0.000 0.419 62 L N 2.893 124.126 121.223 0.017 0.000 2.418 62 L HA 0.070 4.396 4.340 -0.022 0.000 0.218 62 L C 1.446 178.413 176.870 0.161 0.000 1.125 62 L CA 0.449 55.363 54.840 0.123 0.000 0.835 62 L CB -0.826 41.310 42.059 0.130 0.000 0.953 62 L HN 0.901 nan 8.230 nan 0.000 0.454 63 G N 0.852 109.751 108.800 0.164 0.000 2.611 63 G HA2 -0.410 3.537 3.960 -0.022 0.000 0.301 63 G HA3 -0.410 3.537 3.960 -0.022 0.000 0.301 63 G C 0.934 175.979 174.900 0.241 0.000 1.233 63 G CA 0.553 45.780 45.100 0.211 0.000 0.993 63 G HN 0.302 nan 8.290 nan 0.000 0.553 64 S N -0.265 115.570 115.700 0.225 0.000 2.440 64 S HA -0.040 4.416 4.470 -0.022 0.000 0.238 64 S C 2.274 176.986 174.600 0.186 0.000 1.010 64 S CA 1.593 59.940 58.200 0.245 0.000 0.972 64 S CB -0.157 63.178 63.200 0.225 0.000 0.774 64 S HN 0.917 nan 8.310 nan 0.000 0.501 65 V N 2.200 122.207 119.914 0.155 0.000 2.720 65 V HA -0.160 3.946 4.120 -0.022 0.000 0.256 65 V C 2.287 178.481 176.094 0.168 0.000 1.082 65 V CA 1.605 63.974 62.300 0.115 0.000 1.101 65 V CB -1.015 30.894 31.823 0.143 0.000 0.693 65 V HN 0.498 nan 8.190 nan 0.000 0.479 66 S N -0.275 115.560 115.700 0.224 0.000 2.419 66 S HA -0.301 4.156 4.470 -0.022 0.000 0.235 66 S C 1.882 176.650 174.600 0.280 0.000 1.019 66 S CA 1.425 59.798 58.200 0.287 0.000 0.982 66 S CB -0.317 62.996 63.200 0.188 0.000 0.789 66 S HN 0.716 nan 8.310 nan 0.000 0.490 67 Q N 0.638 120.555 119.800 0.196 0.000 2.291 67 Q HA -0.104 4.222 4.340 -0.022 0.000 0.206 67 Q C 2.457 178.498 176.000 0.067 0.000 0.976 67 Q CA 1.541 57.447 55.803 0.171 0.000 0.875 67 Q CB -0.574 28.295 28.738 0.219 0.000 0.927 67 Q HN 0.821 nan 8.270 nan 0.000 0.450 68 T N -1.871 112.620 114.554 -0.105 0.000 2.821 68 T HA -0.130 4.207 4.350 -0.022 0.000 0.267 68 T C 1.513 176.224 174.700 0.018 0.000 1.046 68 T CA 0.875 62.734 62.100 -0.400 0.000 1.139 68 T CB -0.433 67.820 68.868 -1.024 0.000 0.871 68 T HN 0.167 nan 8.240 nan 0.000 0.454 69 F N 2.113 122.116 119.950 0.089 0.000 2.146 69 F HA 0.007 4.520 4.527 -0.022 0.000 0.298 69 F C 3.054 178.912 175.800 0.097 0.000 1.096 69 F CA 1.425 59.432 58.000 0.011 0.000 1.275 69 F CB -1.092 37.787 39.000 -0.202 0.000 1.008 69 F HN 0.136 nan 8.300 nan 0.000 0.480 70 T N -0.529 114.226 114.554 0.335 0.000 2.746 70 T HA -0.146 4.191 4.350 -0.022 0.000 0.267 70 T C 2.352 177.253 174.700 0.334 0.000 1.039 70 T CA 1.427 63.741 62.100 0.357 0.000 1.142 70 T CB -1.030 68.045 68.868 0.344 0.000 0.866 70 T HN 0.452 nan 8.240 nan 0.000 0.444 71 G N 0.872 109.831 108.800 0.265 0.000 2.418 71 G HA2 -0.167 3.779 3.960 -0.022 0.000 0.217 71 G HA3 -0.167 3.779 3.960 -0.022 0.000 0.217 71 G C 1.699 176.762 174.900 0.271 0.000 1.158 71 G CA 0.819 46.064 45.100 0.241 0.000 0.771 71 G HN 0.435 nan 8.290 nan 0.000 0.545 72 V N 0.562 120.647 119.914 0.284 0.000 2.358 72 V HA -0.086 4.021 4.120 -0.022 0.000 0.246 72 V C 2.663 178.883 176.094 0.209 0.000 1.047 72 V CA 1.503 63.978 62.300 0.292 0.000 1.035 72 V CB -0.291 31.807 31.823 0.457 0.000 0.658 72 V HN 0.350 nan 8.190 nan 0.000 0.452 73 L N 1.262 122.584 121.223 0.166 0.000 2.083 73 L HA -0.034 4.293 4.340 -0.022 0.000 0.209 73 L C 2.286 179.176 176.870 0.033 0.000 1.083 73 L CA 2.402 57.261 54.840 0.030 0.000 0.752 73 L CB -1.135 40.859 42.059 -0.108 0.000 0.899 73 L HN 0.269 nan 8.230 nan 0.000 0.433 74 G N -1.228 107.653 108.800 0.135 0.000 2.402 74 G HA2 -0.170 3.777 3.960 -0.022 0.000 0.216 74 G HA3 -0.170 3.777 3.960 -0.022 0.000 0.216 74 G C 1.523 176.522 174.900 0.166 0.000 1.162 74 G CA 0.489 45.665 45.100 0.126 0.000 0.777 74 G HN 0.576 nan 8.290 nan 0.000 0.539 75 G N 0.702 109.620 108.800 0.197 0.000 2.442 75 G HA2 -0.246 3.700 3.960 -0.022 0.000 0.219 75 G HA3 -0.246 3.700 3.960 -0.022 0.000 0.219 75 G C 1.432 176.390 174.900 0.096 0.000 1.141 75 G CA 1.377 46.570 45.100 0.155 0.000 0.763 75 G HN 0.522 nan 8.290 nan 0.000 0.554 76 D N 0.458 120.903 120.400 0.075 0.000 2.144 76 D HA 0.060 4.686 4.640 -0.022 0.000 0.199 76 D C 2.611 178.915 176.300 0.007 0.000 0.984 76 D CA 1.345 55.367 54.000 0.036 0.000 0.834 76 D CB -0.238 40.574 40.800 0.019 0.000 0.955 76 D HN 0.246 nan 8.370 nan 0.000 0.465 77 A N -0.050 122.763 122.820 -0.012 0.000 1.969 77 A HA -0.048 4.259 4.320 -0.022 0.000 0.218 77 A C 2.279 179.855 177.584 -0.014 0.000 1.169 77 A CA 0.841 52.852 52.037 -0.044 0.000 0.635 77 A CB -0.641 18.294 19.000 -0.108 0.000 0.810 77 A HN 0.383 nan 8.150 nan 0.000 0.445 78 I N -0.314 120.269 120.570 0.022 0.000 2.202 78 I HA -0.236 3.920 4.170 -0.022 0.000 0.242 78 I C 2.959 179.098 176.117 0.038 0.000 1.091 78 I CA 0.981 62.307 61.300 0.043 0.000 1.368 78 I CB -0.338 37.709 38.000 0.078 0.000 1.058 78 I HN 0.334 nan 8.210 nan 0.000 0.410 79 A N 0.898 123.740 122.820 0.037 0.000 1.940 79 A HA -0.201 4.106 4.320 -0.022 0.000 0.219 79 A C 2.303 179.898 177.584 0.017 0.000 1.176 79 A CA 1.504 53.558 52.037 0.029 0.000 0.631 79 A CB -0.593 18.424 19.000 0.029 0.000 0.814 79 A HN 0.346 nan 8.150 nan 0.000 0.446 80 R N -1.358 119.148 120.500 0.009 0.000 2.316 80 R HA 0.131 4.458 4.340 -0.022 0.000 0.202 80 R C 1.321 177.626 176.300 0.007 0.000 1.029 80 R CA 0.521 56.622 56.100 0.001 0.000 1.018 80 R CB -0.263 30.029 30.300 -0.013 0.000 0.888 80 R HN 0.723 nan 8.270 nan 0.000 0.471 81 G N 1.096 109.906 108.800 0.016 0.000 2.153 81 G HA2 -0.320 3.626 3.960 -0.022 0.000 0.252 81 G HA3 -0.320 3.626 3.960 -0.022 0.000 0.252 81 G C 0.525 175.443 174.900 0.031 0.000 0.994 81 G CA 0.608 45.723 45.100 0.026 0.000 0.698 81 G HN 0.465 nan 8.290 nan 0.000 0.521 82 E N -0.641 119.569 120.200 0.016 0.000 2.170 82 E HA 0.254 4.591 4.350 -0.022 0.000 0.191 82 E C 1.521 178.148 176.600 0.045 0.000 0.981 82 E CA 1.149 57.559 56.400 0.017 0.000 0.830 82 E CB 0.184 29.868 29.700 -0.026 0.000 0.775 82 E HN 0.916 nan 8.360 nan 0.000 0.470 83 I N -3.010 117.569 120.570 0.015 0.000 3.191 83 I HA 0.493 4.649 4.170 -0.022 0.000 0.313 83 I C -1.408 174.756 176.117 0.078 0.000 1.193 83 I CA -1.258 60.056 61.300 0.024 0.000 0.968 83 I CB 2.301 40.135 38.000 -0.276 0.000 1.262 83 I HN -0.371 nan 8.210 nan 0.000 0.456 84 K N 2.108 122.594 120.400 0.143 0.000 2.427 84 K HA 0.495 4.802 4.320 -0.022 0.000 0.252 84 K C 0.039 176.720 176.600 0.135 0.000 0.931 84 K CA -0.764 55.599 56.287 0.126 0.000 0.793 84 K CB 2.882 35.459 32.500 0.128 0.000 1.211 84 K HN 0.624 nan 8.250 nan 0.000 0.426 85 L N 1.017 122.303 121.223 0.105 0.000 2.265 85 L HA -0.172 4.155 4.340 -0.022 0.000 0.215 85 L C 1.899 178.810 176.870 0.068 0.000 1.117 85 L CA 1.396 56.285 54.840 0.081 0.000 0.782 85 L CB -0.248 41.816 42.059 0.008 0.000 0.914 85 L HN 0.681 nan 8.230 nan 0.000 0.441 86 S N -2.769 112.979 115.700 0.080 0.000 2.603 86 S HA 0.020 4.476 4.470 -0.022 0.000 0.220 86 S C 0.500 175.167 174.600 0.111 0.000 0.967 86 S CA -0.284 57.959 58.200 0.072 0.000 0.920 86 S CB -0.312 62.927 63.200 0.065 0.000 0.773 86 S HN 0.205 nan 8.310 nan 0.000 0.529 87 D N 4.202 124.702 120.400 0.167 0.000 2.304 87 D HA 0.315 4.942 4.640 -0.022 0.000 0.250 87 D C -2.367 174.074 176.300 0.235 0.000 1.107 87 D CA -1.701 52.422 54.000 0.204 0.000 0.885 87 D CB 0.952 41.945 40.800 0.323 0.000 1.192 87 D HN 0.180 nan 8.370 nan 0.000 0.436 88 P HA -0.014 nan 4.420 nan 0.000 0.269 88 P C 0.621 178.070 177.300 0.248 0.000 1.209 88 P CA -0.132 63.090 63.100 0.204 0.000 0.776 88 P CB 0.753 32.540 31.700 0.144 0.000 0.876 89 T N 1.137 115.876 114.554 0.308 0.000 2.759 89 T HA -0.143 4.194 4.350 -0.022 0.000 0.269 89 T C 1.742 176.575 174.700 0.222 0.000 1.042 89 T CA 2.548 64.835 62.100 0.312 0.000 1.140 89 T CB -1.010 68.067 68.868 0.349 0.000 0.864 89 T HN 0.663 nan 8.240 nan 0.000 0.455 90 T N 0.428 115.074 114.554 0.153 0.000 3.007 90 T HA -0.023 4.314 4.350 -0.022 0.000 0.270 90 T C 1.743 176.446 174.700 0.005 0.000 1.107 90 T CA 1.065 63.207 62.100 0.070 0.000 1.118 90 T CB -0.259 68.641 68.868 0.054 0.000 0.889 90 T HN 0.427 nan 8.240 nan 0.000 0.506 91 K N 0.218 120.567 120.400 -0.085 0.000 2.148 91 K HA -0.094 4.212 4.320 -0.022 0.000 0.204 91 K C 1.024 177.332 176.600 -0.487 0.000 1.050 91 K CA 1.138 57.221 56.287 -0.340 0.000 0.942 91 K CB -0.176 31.986 32.500 -0.564 0.000 0.724 91 K HN 0.543 nan 8.250 nan 0.000 0.446 92 Y N -2.355 117.979 120.300 0.056 0.000 2.458 92 Y HA 0.146 4.683 4.550 -0.022 0.000 0.256 92 Y C 0.038 175.977 175.900 0.065 0.000 1.159 92 Y CA -0.537 57.575 58.100 0.021 0.000 1.261 92 Y CB 0.577 39.015 38.460 -0.036 0.000 1.119 92 Y HN 0.126 nan 8.280 nan 0.000 0.524 93 W N 3.386 124.673 121.300 -0.021 0.000 1.851 93 W HA 0.370 5.016 4.660 -0.023 0.000 0.303 93 W C -2.394 174.068 176.519 -0.095 0.000 0.969 93 W CA -3.286 54.013 57.345 -0.075 0.000 1.537 93 W CB 0.855 30.226 29.460 -0.149 0.000 1.682 93 W HN -0.171 nan 8.180 nan 0.000 0.367 94 P HA -0.196 nan 4.420 nan 0.000 0.223 94 P C 0.748 178.012 177.300 -0.061 0.000 1.144 94 P CA 1.641 64.754 63.100 0.022 0.000 0.783 94 P CB 0.501 32.215 31.700 0.024 0.000 0.771 95 E N -0.586 119.554 120.200 -0.101 0.000 2.418 95 E HA -0.040 4.297 4.350 -0.022 0.000 0.197 95 E C 0.731 177.071 176.600 -0.433 0.000 1.026 95 E CA 0.204 56.468 56.400 -0.228 0.000 0.862 95 E CB -0.713 28.882 29.700 -0.176 0.000 0.799 95 E HN 0.137 nan 8.360 nan 0.000 0.518 96 L N 1.682 122.550 121.223 -0.591 0.000 2.395 96 L HA 0.105 4.431 4.340 -0.022 0.000 0.268 96 L C 0.828 177.528 176.870 -0.285 0.000 1.223 96 L CA 0.410 54.861 54.840 -0.649 0.000 1.093 96 L CB -0.255 41.252 42.059 -0.919 0.000 1.349 96 L HN 0.046 nan 8.230 nan 0.000 0.427 97 T N -0.412 114.040 114.554 -0.171 0.000 3.044 97 T HA 0.330 4.666 4.350 -0.022 0.000 0.250 97 T C 0.927 175.648 174.700 0.036 0.000 1.081 97 T CA 0.230 62.302 62.100 -0.046 0.000 1.040 97 T CB -0.018 68.822 68.868 -0.047 0.000 0.962 97 T HN 0.527 nan 8.240 nan 0.000 0.506 98 A N 1.776 124.643 122.820 0.079 0.000 2.540 98 A HA 0.255 4.562 4.320 -0.022 0.000 0.239 98 A C 1.254 178.961 177.584 0.206 0.000 1.061 98 A CA -0.183 51.946 52.037 0.153 0.000 0.758 98 A CB 0.135 19.276 19.000 0.234 0.000 0.991 98 A HN 0.477 nan 8.150 nan 0.000 0.502 99 K N 0.843 121.304 120.400 0.103 0.000 2.362 99 K HA -0.130 4.177 4.320 -0.022 0.000 0.200 99 K C 2.004 178.629 176.600 0.042 0.000 1.046 99 K CA 1.176 57.508 56.287 0.075 0.000 0.952 99 K CB 0.104 32.619 32.500 0.026 0.000 0.753 99 K HN 0.898 nan 8.250 nan 0.000 0.466 100 Q N -0.229 119.562 119.800 -0.016 0.000 2.364 100 Q HA -0.175 4.152 4.340 -0.022 0.000 0.207 100 Q C 0.930 176.794 176.000 -0.226 0.000 0.970 100 Q CA 1.177 56.863 55.803 -0.196 0.000 0.888 100 Q CB -0.345 28.157 28.738 -0.394 0.000 0.951 100 Q HN 0.451 nan 8.270 nan 0.000 0.469 101 W N 1.939 123.281 121.300 0.069 0.000 2.800 101 W HA 0.137 4.784 4.660 -0.023 0.000 0.249 101 W C 0.196 176.776 176.519 0.102 0.000 1.294 101 W CA -0.494 56.923 57.345 0.120 0.000 1.402 101 W CB 0.035 29.556 29.460 0.102 0.000 1.126 101 W HN -0.013 nan 8.180 nan 0.000 0.652 102 N N 0.885 119.704 118.700 0.198 0.000 2.411 102 N HA 0.149 4.876 4.740 -0.022 0.000 0.265 102 N C 1.164 176.755 175.510 0.134 0.000 1.266 102 N CA 1.694 54.833 53.050 0.149 0.000 0.889 102 N CB 0.614 39.155 38.487 0.089 0.000 1.069 102 N HN 0.268 nan 8.380 nan 0.000 0.476 103 G N 1.877 110.779 108.800 0.170 0.000 2.175 103 G HA2 -0.261 3.685 3.960 -0.022 0.000 0.244 103 G HA3 -0.261 3.685 3.960 -0.022 0.000 0.244 103 G C 0.143 175.205 174.900 0.270 0.000 0.982 103 G CA -0.338 44.873 45.100 0.185 0.000 0.641 103 G HN 0.561 nan 8.290 nan 0.000 0.527 104 I N 2.912 123.663 120.570 0.302 0.000 2.312 104 I HA 0.394 4.551 4.170 -0.022 0.000 0.291 104 I C 1.165 177.573 176.117 0.486 0.000 1.031 104 I CA 0.120 61.677 61.300 0.427 0.000 1.293 104 I CB 1.133 39.322 38.000 0.315 0.000 1.403 104 I HN 0.299 nan 8.210 nan 0.000 0.484 105 T N 3.061 117.928 114.554 0.522 0.000 2.923 105 T HA 0.446 4.783 4.350 -0.022 0.000 0.281 105 T C 1.238 176.069 174.700 0.218 0.000 0.995 105 T CA -0.879 61.372 62.100 0.252 0.000 0.985 105 T CB 1.502 70.396 68.868 0.043 0.000 1.114 105 T HN 0.416 nan 8.240 nan 0.000 0.548 106 L N 0.308 121.657 121.223 0.210 0.000 2.127 106 L HA -0.035 4.291 4.340 -0.022 0.000 0.211 106 L C 2.534 179.446 176.870 0.070 0.000 1.089 106 L CA 0.963 55.950 54.840 0.246 0.000 0.757 106 L CB -0.777 41.456 42.059 0.291 0.000 0.899 106 L HN 0.611 nan 8.230 nan 0.000 0.434 107 L N -0.667 120.524 121.223 -0.053 0.000 2.046 107 L HA -0.240 4.087 4.340 -0.022 0.000 0.208 107 L C 2.712 179.525 176.870 -0.095 0.000 1.077 107 L CA 1.864 56.593 54.840 -0.185 0.000 0.747 107 L CB -0.742 41.208 42.059 -0.182 0.000 0.896 107 L HN 0.241 nan 8.230 nan 0.000 0.432 108 H N -0.370 118.771 119.070 0.119 0.000 2.387 108 H HA -0.104 4.439 4.556 -0.022 0.000 0.299 108 H C 2.374 177.698 175.328 -0.008 0.000 1.090 108 H CA 1.945 58.050 56.048 0.095 0.000 1.332 108 H CB -0.396 29.443 29.762 0.128 0.000 1.386 108 H HN 0.378 nan 8.280 nan 0.000 0.516 109 L N 0.055 121.355 121.223 0.128 0.000 2.056 109 L HA -0.108 4.219 4.340 -0.022 0.000 0.207 109 L C 2.810 179.573 176.870 -0.178 0.000 1.078 109 L CA 0.963 55.838 54.840 0.059 0.000 0.749 109 L CB -0.506 41.663 42.059 0.184 0.000 0.901 109 L HN 0.208 nan 8.230 nan 0.000 0.433 110 A N -0.261 122.293 122.820 -0.442 0.000 2.015 110 A HA -0.153 4.153 4.320 -0.022 0.000 0.219 110 A C 2.098 179.242 177.584 -0.734 0.000 1.163 110 A CA 1.964 53.498 52.037 -0.840 0.000 0.646 110 A CB -0.645 17.474 19.000 -1.469 0.000 0.806 110 A HN 0.514 nan 8.150 nan 0.000 0.448 111 T N -6.267 107.987 114.554 -0.500 0.000 3.134 111 T HA 0.309 4.646 4.350 -0.022 0.000 0.260 111 T C 0.303 174.824 174.700 -0.298 0.000 1.027 111 T CA 0.262 62.131 62.100 -0.384 0.000 0.913 111 T CB -0.773 68.149 68.868 0.090 0.000 1.046 111 T HN 0.672 nan 8.240 nan 0.000 0.553 112 Y N 0.953 121.249 120.300 -0.007 0.000 4.272 112 Y HA -0.273 4.263 4.550 -0.022 0.000 0.232 112 Y C 1.146 177.019 175.900 -0.045 0.000 1.149 112 Y CA 0.569 58.663 58.100 -0.008 0.000 1.961 112 Y CB -2.933 35.547 38.460 0.033 0.000 1.611 112 Y HN 0.590 nan 8.280 nan 0.000 0.682 113 T N -4.199 110.348 114.554 -0.010 0.000 3.228 113 T HA 0.665 5.002 4.350 -0.022 0.000 0.278 113 T C 1.296 175.962 174.700 -0.057 0.000 1.014 113 T CA 0.134 62.148 62.100 -0.142 0.000 0.904 113 T CB 0.804 69.308 68.868 -0.607 0.000 1.110 113 T HN 0.472 nan 8.240 nan 0.000 0.541 114 A N 1.186 124.039 122.820 0.054 0.000 2.168 114 A HA 0.581 4.888 4.320 -0.022 0.000 0.215 114 A C 1.918 179.571 177.584 0.116 0.000 1.152 114 A CA 0.646 52.704 52.037 0.036 0.000 0.716 114 A CB -0.756 18.268 19.000 0.039 0.000 0.794 114 A HN 1.416 nan 8.150 nan 0.000 0.465 115 G N -3.262 105.682 108.800 0.241 0.000 2.161 115 G HA2 0.395 4.341 3.960 -0.022 0.000 0.140 115 G HA3 0.395 4.341 3.960 -0.022 0.000 0.140 115 G C 0.971 176.025 174.900 0.258 0.000 1.040 115 G CA 0.335 45.635 45.100 0.333 0.000 0.735 115 G HN 1.976 nan 8.290 nan 0.000 0.496 116 G N -0.543 108.451 108.800 0.323 0.000 2.215 116 G HA2 -0.072 3.875 3.960 -0.022 0.000 0.198 116 G HA3 -0.072 3.875 3.960 -0.022 0.000 0.198 116 G C 0.367 175.417 174.900 0.249 0.000 1.047 116 G CA 0.013 45.159 45.100 0.077 0.000 0.747 116 G HN 1.171 nan 8.290 nan 0.000 0.495 117 L N 0.452 121.723 121.223 0.081 0.000 2.483 117 L HA 0.263 4.590 4.340 -0.022 0.000 0.276 117 L C -1.234 175.611 176.870 -0.041 0.000 1.213 117 L CA -1.403 53.240 54.840 -0.328 0.000 0.843 117 L CB 0.414 42.224 42.059 -0.416 0.000 1.107 117 L HN 0.051 nan 8.230 nan 0.000 0.487 118 P HA -0.046 nan 4.420 nan 0.000 0.269 118 P C 0.348 177.685 177.300 0.061 0.000 1.209 118 P CA -0.386 62.771 63.100 0.095 0.000 0.776 118 P CB 0.610 32.432 31.700 0.204 0.000 0.876 119 L N 1.840 123.092 121.223 0.048 0.000 2.042 119 L HA -0.140 4.186 4.340 -0.022 0.000 0.210 119 L C 0.453 177.329 176.870 0.010 0.000 1.076 119 L CA 2.214 57.057 54.840 0.005 0.000 0.749 119 L CB -0.609 41.481 42.059 0.053 0.000 0.893 119 L HN 0.432 nan 8.230 nan 0.000 0.432 120 Q N -1.593 118.229 119.800 0.036 0.000 2.413 120 Q HA 0.524 4.850 4.340 -0.022 0.000 0.276 120 Q C -0.981 174.998 176.000 -0.035 0.000 1.099 120 Q CA -0.755 55.058 55.803 0.017 0.000 0.814 120 Q CB 2.457 31.195 28.738 0.000 0.000 1.379 120 Q HN -0.124 nan 8.270 nan 0.000 0.436 121 V N 2.969 122.812 119.914 -0.118 0.000 2.530 121 V HA 0.271 4.377 4.120 -0.022 0.000 0.282 121 V C -2.061 173.823 176.094 -0.349 0.000 1.048 121 V CA -1.415 60.614 62.300 -0.451 0.000 0.997 121 V CB 0.655 32.254 31.823 -0.374 0.000 0.987 121 V HN 0.676 nan 8.190 nan 0.000 0.477 122 P HA 0.126 nan 4.420 nan 0.000 0.269 122 P C 0.295 177.498 177.300 -0.162 0.000 1.209 122 P CA -0.217 62.756 63.100 -0.212 0.000 0.776 122 P CB 0.524 32.126 31.700 -0.165 0.000 0.876 123 D N 1.406 121.758 120.400 -0.079 0.000 2.182 123 D HA -0.175 4.451 4.640 -0.022 0.000 0.201 123 D C 1.514 177.787 176.300 -0.045 0.000 0.986 123 D CA 1.147 55.120 54.000 -0.046 0.000 0.847 123 D CB -0.137 40.652 40.800 -0.018 0.000 0.942 123 D HN 0.575 nan 8.370 nan 0.000 0.467 124 E N 0.554 120.724 120.200 -0.050 0.000 2.478 124 E HA -0.064 4.273 4.350 -0.022 0.000 0.198 124 E C 0.423 176.999 176.600 -0.041 0.000 1.046 124 E CA 0.144 56.525 56.400 -0.032 0.000 0.870 124 E CB -0.080 29.611 29.700 -0.016 0.000 0.818 124 E HN 0.044 nan 8.360 nan 0.000 0.527 125 V N 3.017 122.879 119.914 -0.086 0.000 2.372 125 V HA 0.060 4.166 4.120 -0.022 0.000 0.261 125 V C 0.932 176.994 176.094 -0.053 0.000 1.055 125 V CA -0.074 62.173 62.300 -0.089 0.000 0.930 125 V CB 0.997 32.691 31.823 -0.215 0.000 1.031 125 V HN 0.096 nan 8.190 nan 0.000 0.479 126 K N 2.286 122.676 120.400 -0.017 0.000 2.313 126 K HA 0.202 4.508 4.320 -0.022 0.000 0.215 126 K C 1.213 177.817 176.600 0.007 0.000 1.109 126 K CA 0.597 56.880 56.287 -0.006 0.000 0.895 126 K CB -0.156 32.345 32.500 0.001 0.000 1.234 126 K HN 0.659 nan 8.250 nan 0.000 0.463 127 S N 1.166 116.879 115.700 0.021 0.000 2.608 127 S HA 0.033 4.490 4.470 -0.022 0.000 0.261 127 S C 1.406 176.042 174.600 0.059 0.000 1.314 127 S CA 0.118 58.338 58.200 0.033 0.000 0.992 127 S CB 1.178 64.401 63.200 0.037 0.000 0.935 127 S HN 0.301 nan 8.310 nan 0.000 0.564 128 S N 0.486 116.225 115.700 0.065 0.000 2.423 128 S HA -0.140 4.316 4.470 -0.022 0.000 0.231 128 S C 2.006 176.708 174.600 0.171 0.000 1.014 128 S CA 0.987 59.251 58.200 0.107 0.000 0.965 128 S CB -1.214 62.031 63.200 0.076 0.000 0.785 128 S HN 1.060 nan 8.310 nan 0.000 0.495 129 S N 2.073 117.846 115.700 0.122 0.000 2.387 129 S HA -0.132 4.325 4.470 -0.022 0.000 0.226 129 S C 1.465 176.139 174.600 0.124 0.000 1.026 129 S CA 1.101 59.373 58.200 0.120 0.000 0.972 129 S CB -0.709 62.537 63.200 0.078 0.000 0.814 129 S HN 0.407 nan 8.310 nan 0.000 0.477 130 D N 1.272 121.735 120.400 0.106 0.000 2.144 130 D HA -0.008 4.619 4.640 -0.022 0.000 0.199 130 D C 1.820 178.214 176.300 0.155 0.000 0.984 130 D CA 0.749 54.808 54.000 0.099 0.000 0.834 130 D CB -0.443 40.391 40.800 0.056 0.000 0.955 130 D HN 0.355 nan 8.370 nan 0.000 0.465 131 L N 0.408 121.754 121.223 0.206 0.000 2.056 131 L HA -0.069 4.258 4.340 -0.022 0.000 0.207 131 L C 2.093 179.262 176.870 0.497 0.000 1.078 131 L CA 1.021 56.066 54.840 0.342 0.000 0.749 131 L CB -0.584 41.693 42.059 0.363 0.000 0.901 131 L HN 0.004 nan 8.230 nan 0.000 0.433 132 L N -0.415 121.055 121.223 0.412 0.000 2.042 132 L HA -0.220 4.107 4.340 -0.022 0.000 0.210 132 L C 2.671 179.566 176.870 0.041 0.000 1.076 132 L CA 1.759 56.666 54.840 0.113 0.000 0.749 132 L CB -0.699 41.382 42.059 0.036 0.000 0.893 132 L HN 0.238 nan 8.230 nan 0.000 0.432 133 R N -1.601 118.963 120.500 0.107 0.000 2.083 133 R HA -0.238 4.088 4.340 -0.022 0.000 0.237 133 R C 2.322 178.700 176.300 0.131 0.000 1.137 133 R CA 2.016 58.171 56.100 0.092 0.000 0.951 133 R CB -0.633 29.727 30.300 0.099 0.000 0.851 133 R HN 0.457 nan 8.270 nan 0.000 0.434 134 F N 0.255 120.206 119.950 0.002 0.000 2.065 134 F HA -0.275 4.240 4.527 -0.021 0.000 0.298 134 F C 1.621 177.402 175.800 -0.030 0.000 1.112 134 F CA 1.601 59.558 58.000 -0.071 0.000 1.212 134 F CB -0.588 38.284 39.000 -0.214 0.000 0.975 134 F HN 0.014 nan 8.300 nan 0.000 0.476 135 Y N 0.353 120.626 120.300 -0.045 0.000 2.314 135 Y HA -0.138 4.399 4.550 -0.022 0.000 0.293 135 Y C 2.621 178.661 175.900 0.233 0.000 1.129 135 Y CA 1.347 59.439 58.100 -0.013 0.000 1.201 135 Y CB -0.863 37.560 38.460 -0.062 0.000 0.999 135 Y HN 0.135 nan 8.280 nan 0.000 0.541 136 Q N 0.160 120.058 119.800 0.164 0.000 2.124 136 Q HA -0.173 4.154 4.340 -0.022 0.000 0.202 136 Q C 1.468 177.576 176.000 0.180 0.000 0.977 136 Q CA 1.477 57.370 55.803 0.148 0.000 0.850 136 Q CB -0.527 28.207 28.738 -0.006 0.000 0.901 136 Q HN 0.664 nan 8.270 nan 0.000 0.429 137 N N -0.717 118.049 118.700 0.111 0.000 2.446 137 N HA -0.077 4.650 4.740 -0.022 0.000 0.179 137 N C 0.086 175.630 175.510 0.056 0.000 1.054 137 N CA -0.357 52.731 53.050 0.064 0.000 0.905 137 N CB 0.075 38.592 38.487 0.050 0.000 0.973 137 N HN 0.171 nan 8.380 nan 0.000 0.448 138 W N 2.986 124.203 121.300 -0.138 0.000 2.295 138 W HA 0.008 4.654 4.660 -0.022 0.000 0.335 138 W C -0.574 175.849 176.519 -0.159 0.000 1.351 138 W CA 0.016 57.241 57.345 -0.201 0.000 1.273 138 W CB 0.504 29.805 29.460 -0.264 0.000 1.214 138 W HN -0.043 nan 8.180 nan 0.000 0.563 139 Q N 8.573 127.869 119.800 -0.840 0.000 2.348 139 Q HA 0.309 4.636 4.340 -0.022 0.000 0.265 139 Q C -2.056 173.107 176.000 -1.395 0.000 0.998 139 Q CA -2.103 53.125 55.803 -0.959 0.000 0.831 139 Q CB 1.200 29.645 28.738 -0.488 0.000 1.251 139 Q HN 0.384 nan 8.270 nan 0.000 0.456 140 P HA 0.083 nan 4.420 nan 0.000 0.271 140 P C -0.190 176.676 177.300 -0.724 0.000 1.218 140 P CA 0.048 62.422 63.100 -1.209 0.000 0.780 140 P CB 1.030 32.141 31.700 -0.982 0.000 0.901 141 A N 2.714 125.076 122.820 -0.762 0.000 2.030 141 A HA 0.125 4.432 4.320 -0.022 0.000 0.215 141 A C 0.339 177.535 177.584 -0.647 0.000 1.164 141 A CA 0.560 52.098 52.037 -0.832 0.000 0.697 141 A CB -0.163 18.038 19.000 -1.332 0.000 0.827 141 A HN 0.577 nan 8.150 nan 0.000 0.457 142 W N -2.108 119.121 121.300 -0.118 0.000 2.962 142 W HA 0.702 5.349 4.660 -0.022 0.000 0.341 142 W C 0.112 176.558 176.519 -0.123 0.000 1.155 142 W CA -1.521 55.764 57.345 -0.100 0.000 1.165 142 W CB 0.807 30.226 29.460 -0.068 0.000 1.435 142 W HN 0.151 nan 8.180 nan 0.000 0.546 143 A N 3.660 126.563 122.820 0.139 0.000 2.406 143 A HA 0.447 4.754 4.320 -0.022 0.000 0.243 143 A C -1.932 175.655 177.584 0.005 0.000 1.082 143 A CA -0.804 51.250 52.037 0.028 0.000 0.786 143 A CB -0.783 18.233 19.000 0.027 0.000 1.029 143 A HN 0.230 nan 8.150 nan 0.000 0.495 144 P HA 0.225 nan 4.420 nan 0.000 0.271 144 P C 0.684 177.815 177.300 -0.281 0.000 1.218 144 P CA 1.344 64.257 63.100 -0.311 0.000 0.780 144 P CB 0.693 32.105 31.700 -0.481 0.000 0.901 145 G N 1.883 110.464 108.800 -0.366 0.000 2.176 145 G HA2 -0.267 3.679 3.960 -0.022 0.000 0.252 145 G HA3 -0.267 3.679 3.960 -0.022 0.000 0.252 145 G C 0.609 175.452 174.900 -0.095 0.000 1.024 145 G CA 0.760 45.802 45.100 -0.096 0.000 0.755 145 G HN 0.771 nan 8.290 nan 0.000 0.507 146 T N -4.627 109.835 114.554 -0.153 0.000 2.987 146 T HA 0.448 4.785 4.350 -0.022 0.000 0.248 146 T C 0.691 175.237 174.700 -0.256 0.000 0.997 146 T CA 0.891 62.916 62.100 -0.126 0.000 1.013 146 T CB 0.593 69.419 68.868 -0.071 0.000 1.077 146 T HN 0.461 nan 8.240 nan 0.000 0.483 147 Q N 0.404 120.006 119.800 -0.330 0.000 2.389 147 Q HA 0.526 4.853 4.340 -0.022 0.000 0.277 147 Q C -1.433 174.396 176.000 -0.285 0.000 1.082 147 Q CA -0.839 54.683 55.803 -0.468 0.000 0.810 147 Q CB 3.237 31.308 28.738 -1.112 0.000 1.374 147 Q HN 0.211 nan 8.270 nan 0.000 0.422 148 R N 1.954 122.322 120.500 -0.220 0.000 2.346 148 R HA 0.554 4.881 4.340 -0.022 0.000 0.311 148 R C -1.582 174.749 176.300 0.051 0.000 0.983 148 R CA -0.559 55.507 56.100 -0.056 0.000 0.880 148 R CB 0.692 30.976 30.300 -0.026 0.000 1.100 148 R HN 0.466 nan 8.270 nan 0.000 0.453 149 L N 5.805 127.136 121.223 0.180 0.000 2.457 149 L HA 0.248 4.575 4.340 -0.022 0.000 0.266 149 L C -1.393 175.544 176.870 0.111 0.000 0.979 149 L CA -0.680 54.284 54.840 0.207 0.000 0.857 149 L CB 1.100 43.385 42.059 0.376 0.000 1.213 149 L HN 0.638 nan 8.230 nan 0.000 0.418 150 Y N 4.825 125.046 120.300 -0.131 0.000 2.895 150 Y HA 0.350 4.886 4.550 -0.023 0.000 0.334 150 Y C -0.028 175.765 175.900 -0.179 0.000 1.261 150 Y CA 0.939 58.774 58.100 -0.441 0.000 1.560 150 Y CB 0.460 38.693 38.460 -0.378 0.000 1.253 150 Y HN 0.833 nan 8.280 nan 0.000 0.582 151 A N 6.083 128.315 122.820 -0.980 0.000 2.465 151 A HA 0.274 4.581 4.320 -0.022 0.000 0.292 151 A C -0.193 177.167 177.584 -0.373 0.000 1.041 151 A CA -0.861 50.880 52.037 -0.492 0.000 0.718 151 A CB 0.906 19.857 19.000 -0.082 0.000 1.266 151 A HN 0.873 nan 8.150 nan 0.000 0.403 152 N N 1.091 119.640 118.700 -0.253 0.000 2.331 152 N HA -0.135 4.592 4.740 -0.022 0.000 0.180 152 N C 1.854 177.420 175.510 0.094 0.000 1.019 152 N CA 1.637 54.683 53.050 -0.007 0.000 0.881 152 N CB 0.165 38.727 38.487 0.125 0.000 0.972 152 N HN 0.815 nan 8.380 nan 0.000 0.435 153 S N -0.582 115.186 115.700 0.113 0.000 2.515 153 S HA 0.023 4.479 4.470 -0.022 0.000 0.231 153 S C 1.998 176.766 174.600 0.281 0.000 0.987 153 S CA 0.728 59.079 58.200 0.252 0.000 0.936 153 S CB 0.172 63.562 63.200 0.318 0.000 0.766 153 S HN 0.154 nan 8.310 nan 0.000 0.528 154 S N 1.107 116.905 115.700 0.163 0.000 2.370 154 S HA 0.149 4.606 4.470 -0.022 0.000 0.214 154 S C 1.640 176.304 174.600 0.107 0.000 1.033 154 S CA 0.511 58.791 58.200 0.132 0.000 0.941 154 S CB -0.522 62.761 63.200 0.137 0.000 0.886 154 S HN 0.437 nan 8.310 nan 0.000 0.521 155 I N 2.239 122.873 120.570 0.107 0.000 2.361 155 I HA 0.071 4.228 4.170 -0.022 0.000 0.251 155 I C 2.076 178.267 176.117 0.124 0.000 1.133 155 I CA 1.534 62.883 61.300 0.082 0.000 1.413 155 I CB -0.966 37.106 38.000 0.121 0.000 1.073 155 I HN 0.388 nan 8.210 nan 0.000 0.424 156 G N 0.473 109.323 108.800 0.082 0.000 2.421 156 G HA2 -0.272 3.675 3.960 -0.022 0.000 0.216 156 G HA3 -0.272 3.675 3.960 -0.022 0.000 0.216 156 G C 1.596 176.462 174.900 -0.058 0.000 1.171 156 G CA 1.000 46.090 45.100 -0.018 0.000 0.775 156 G HN 0.433 nan 8.290 nan 0.000 0.543 157 L N -0.191 121.042 121.223 0.016 0.000 2.083 157 L HA 0.120 4.447 4.340 -0.022 0.000 0.209 157 L C 2.427 179.243 176.870 -0.091 0.000 1.083 157 L CA 1.515 56.296 54.840 -0.098 0.000 0.752 157 L CB -0.736 41.197 42.059 -0.210 0.000 0.899 157 L HN 0.236 nan 8.230 nan 0.000 0.433 158 F N 0.334 120.211 119.950 -0.122 0.000 2.126 158 F HA -0.088 4.426 4.527 -0.023 0.000 0.299 158 F C 2.154 177.881 175.800 -0.121 0.000 1.096 158 F CA 1.771 59.703 58.000 -0.113 0.000 1.255 158 F CB -0.971 37.974 39.000 -0.091 0.000 0.997 158 F HN 0.116 nan 8.300 nan 0.000 0.479 159 G N -0.322 108.369 108.800 -0.181 0.000 2.418 159 G HA2 -0.206 3.741 3.960 -0.022 0.000 0.217 159 G HA3 -0.206 3.741 3.960 -0.022 0.000 0.217 159 G C 1.826 176.553 174.900 -0.288 0.000 1.158 159 G CA 0.856 45.811 45.100 -0.242 0.000 0.771 159 G HN 0.639 nan 8.290 nan 0.000 0.545 160 A N 0.523 123.127 122.820 -0.362 0.000 1.902 160 A HA 0.117 4.423 4.320 -0.022 0.000 0.217 160 A C 2.424 179.818 177.584 -0.317 0.000 1.181 160 A CA 1.267 53.109 52.037 -0.324 0.000 0.623 160 A CB -0.361 18.420 19.000 -0.366 0.000 0.818 160 A HN 0.354 nan 8.150 nan 0.000 0.443 161 L N -1.003 119.996 121.223 -0.373 0.000 2.156 161 L HA -0.081 4.246 4.340 -0.022 0.000 0.208 161 L C 2.986 179.575 176.870 -0.468 0.000 1.095 161 L CA 0.794 55.413 54.840 -0.369 0.000 0.770 161 L CB -0.558 41.328 42.059 -0.289 0.000 0.914 161 L HN 0.412 nan 8.230 nan 0.000 0.439 162 A N 0.330 122.790 122.820 -0.599 0.000 2.019 162 A HA -0.128 4.178 4.320 -0.022 0.000 0.219 162 A C 2.082 179.437 177.584 -0.380 0.000 1.164 162 A CA 1.777 53.431 52.037 -0.638 0.000 0.644 162 A CB -0.650 17.801 19.000 -0.915 0.000 0.805 162 A HN 0.353 nan 8.150 nan 0.000 0.449 163 V N -3.737 116.022 119.914 -0.258 0.000 3.647 163 V HA 0.141 4.247 4.120 -0.022 0.000 0.279 163 V C 1.554 177.563 176.094 -0.143 0.000 1.314 163 V CA 0.872 63.069 62.300 -0.172 0.000 1.125 163 V CB -0.417 31.341 31.823 -0.108 0.000 0.907 163 V HN 0.390 nan 8.190 nan 0.000 0.434 164 K N 1.301 121.606 120.400 -0.157 0.000 2.026 164 K HA -0.046 4.261 4.320 -0.022 0.000 0.208 164 K C -0.075 176.497 176.600 -0.046 0.000 1.048 164 K CA 2.031 58.261 56.287 -0.094 0.000 0.929 164 K CB -1.294 31.165 32.500 -0.068 0.000 0.713 164 K HN 0.473 nan 8.250 nan 0.000 0.439 165 P HA -0.156 nan 4.420 nan 0.000 0.218 165 P C 1.367 178.651 177.300 -0.026 0.000 1.148 165 P CA 1.429 64.533 63.100 0.006 0.000 0.822 165 P CB -0.008 31.713 31.700 0.036 0.000 0.784 166 S N -1.217 114.448 115.700 -0.058 0.000 2.419 166 S HA -0.030 4.427 4.470 -0.022 0.000 0.233 166 S C 1.923 176.489 174.600 -0.057 0.000 1.016 166 S CA 1.288 59.449 58.200 -0.064 0.000 0.974 166 S CB -1.600 61.543 63.200 -0.094 0.000 0.786 166 S HN 0.306 nan 8.310 nan 0.000 0.492 167 G N 0.433 109.201 108.800 -0.055 0.000 2.179 167 G HA2 -0.228 3.719 3.960 -0.022 0.000 0.260 167 G HA3 -0.228 3.719 3.960 -0.022 0.000 0.260 167 G C -0.045 174.821 174.900 -0.057 0.000 0.977 167 G CA 0.490 45.561 45.100 -0.048 0.000 0.641 167 G HN 0.598 nan 8.290 nan 0.000 0.533 168 L N 1.383 122.563 121.223 -0.073 0.000 2.352 168 L HA 0.672 4.999 4.340 -0.022 0.000 0.269 168 L C 1.372 178.194 176.870 -0.081 0.000 1.034 168 L CA -0.410 54.380 54.840 -0.082 0.000 0.806 168 L CB 1.618 43.612 42.059 -0.108 0.000 1.244 168 L HN 0.355 nan 8.230 nan 0.000 0.447 169 S N 0.177 115.835 115.700 -0.071 0.000 2.600 169 S HA 0.068 4.525 4.470 -0.022 0.000 0.265 169 S C 0.845 175.417 174.600 -0.048 0.000 1.325 169 S CA -0.306 57.868 58.200 -0.045 0.000 1.002 169 S CB 0.453 63.632 63.200 -0.035 0.000 0.921 169 S HN 0.550 nan 8.310 nan 0.000 0.554 170 F N 1.145 121.005 119.950 -0.151 0.000 2.126 170 F HA -0.073 4.440 4.527 -0.022 0.000 0.299 170 F C 2.488 178.178 175.800 -0.185 0.000 1.096 170 F CA 2.192 60.087 58.000 -0.175 0.000 1.255 170 F CB -0.412 38.482 39.000 -0.176 0.000 0.997 170 F HN 0.944 nan 8.300 nan 0.000 0.479 171 E N -0.387 119.768 120.200 -0.075 0.000 2.077 171 E HA -0.311 4.025 4.350 -0.022 0.000 0.193 171 E C 2.183 178.634 176.600 -0.248 0.000 0.989 171 E CA 1.295 57.598 56.400 -0.162 0.000 0.800 171 E CB -0.258 29.429 29.700 -0.023 0.000 0.746 171 E HN 0.459 nan 8.360 nan 0.000 0.452 172 Q N 0.334 120.025 119.800 -0.182 0.000 2.167 172 Q HA -0.053 4.274 4.340 -0.022 0.000 0.202 172 Q C 1.766 177.622 176.000 -0.241 0.000 0.970 172 Q CA 1.718 57.420 55.803 -0.169 0.000 0.855 172 Q CB -0.290 28.381 28.738 -0.112 0.000 0.911 172 Q HN 0.351 nan 8.270 nan 0.000 0.438 173 A N -0.158 122.477 122.820 -0.307 0.000 1.898 173 A HA -0.132 4.175 4.320 -0.022 0.000 0.216 173 A C 2.043 179.348 177.584 -0.465 0.000 1.181 173 A CA 1.622 53.454 52.037 -0.342 0.000 0.620 173 A CB -0.584 18.204 19.000 -0.354 0.000 0.819 173 A HN 0.503 nan 8.150 nan 0.000 0.442 174 M N -0.065 119.121 119.600 -0.689 0.000 2.086 174 M HA -0.178 4.288 4.480 -0.022 0.000 0.261 174 M C 2.132 177.887 176.300 -0.909 0.000 1.067 174 M CA 1.960 56.719 55.300 -0.903 0.000 1.116 174 M CB -0.615 31.283 32.600 -1.170 0.000 1.348 174 M HN 0.519 nan 8.290 nan 0.000 0.407 175 Q N -1.351 118.065 119.800 -0.639 0.000 2.050 175 Q HA -0.163 4.164 4.340 -0.022 0.000 0.202 175 Q C 1.933 177.804 176.000 -0.214 0.000 0.980 175 Q CA 2.285 57.884 55.803 -0.340 0.000 0.840 175 Q CB -0.448 28.211 28.738 -0.132 0.000 0.898 175 Q HN 0.527 nan 8.270 nan 0.000 0.424 176 T N 0.361 114.791 114.554 -0.207 0.000 2.857 176 T HA -0.045 4.292 4.350 -0.022 0.000 0.266 176 T C 1.602 176.225 174.700 -0.128 0.000 1.048 176 T CA 1.029 63.046 62.100 -0.138 0.000 1.139 176 T CB -0.000 68.793 68.868 -0.124 0.000 0.874 176 T HN 0.218 nan 8.240 nan 0.000 0.455 177 R N -0.175 120.219 120.500 -0.177 0.000 2.265 177 R HA 0.262 4.589 4.340 -0.022 0.000 0.194 177 R C 1.640 177.885 176.300 -0.092 0.000 0.931 177 R CA 0.301 56.324 56.100 -0.128 0.000 1.032 177 R CB 0.317 30.532 30.300 -0.142 0.000 0.980 177 R HN 0.228 nan 8.270 nan 0.000 0.497 178 V N -0.729 119.093 119.914 -0.153 0.000 3.134 178 V HA 0.021 4.127 4.120 -0.022 0.000 0.222 178 V C 1.524 177.688 176.094 0.116 0.000 1.247 178 V CA 0.466 62.752 62.300 -0.023 0.000 1.281 178 V CB -0.379 31.389 31.823 -0.092 0.000 1.169 178 V HN -0.036 nan 8.190 nan 0.000 0.512 179 F N 1.572 121.448 119.950 -0.123 0.000 2.046 179 F HA -0.203 4.311 4.527 -0.022 0.000 0.297 179 F C 2.646 178.365 175.800 -0.135 0.000 1.123 179 F CA 1.710 59.604 58.000 -0.177 0.000 1.199 179 F CB -1.329 37.487 39.000 -0.306 0.000 0.972 179 F HN 0.204 nan 8.300 nan 0.000 0.474 180 Q N -0.187 119.658 119.800 0.075 0.000 2.030 180 Q HA -0.178 4.149 4.340 -0.022 0.000 0.204 180 Q C -0.207 175.801 176.000 0.014 0.000 0.986 180 Q CA 2.066 57.872 55.803 0.005 0.000 0.843 180 Q CB -1.589 27.136 28.738 -0.022 0.000 0.904 180 Q HN 0.261 nan 8.270 nan 0.000 0.420 181 P HA -0.174 nan 4.420 nan 0.000 0.216 181 P C 0.651 177.982 177.300 0.051 0.000 1.150 181 P CA 1.283 64.401 63.100 0.029 0.000 0.843 181 P CB 0.030 31.750 31.700 0.033 0.000 0.787 182 L N -1.678 119.600 121.223 0.092 0.000 2.592 182 L HA 0.154 4.481 4.340 -0.022 0.000 0.227 182 L C 0.398 177.310 176.870 0.070 0.000 1.127 182 L CA 0.090 54.998 54.840 0.112 0.000 0.884 182 L CB -0.623 41.571 42.059 0.225 0.000 1.065 182 L HN -0.048 nan 8.230 nan 0.000 0.457 183 K N 0.878 121.294 120.400 0.027 0.000 3.125 183 K HA -0.164 4.143 4.320 -0.022 0.000 0.268 183 K C -0.306 176.262 176.600 -0.054 0.000 1.078 183 K CA 0.401 56.677 56.287 -0.018 0.000 0.775 183 K CB -1.830 30.667 32.500 -0.005 0.000 1.253 183 K HN 0.330 nan 8.250 nan 0.000 0.486 184 L N 1.352 122.519 121.223 -0.093 0.000 2.389 184 L HA 0.151 4.478 4.340 -0.022 0.000 0.265 184 L C 1.016 177.622 176.870 -0.440 0.000 1.167 184 L CA -0.506 54.194 54.840 -0.233 0.000 1.045 184 L CB 0.158 42.048 42.059 -0.282 0.000 1.351 184 L HN 0.159 nan 8.230 nan 0.000 0.419 185 N N 0.206 118.670 118.700 -0.394 0.000 2.398 185 N HA -0.012 4.714 4.740 -0.022 0.000 0.188 185 N C 0.574 175.442 175.510 -1.071 0.000 1.122 185 N CA 0.604 53.287 53.050 -0.611 0.000 0.866 185 N CB 0.299 38.526 38.487 -0.432 0.000 0.970 185 N HN 0.519 nan 8.380 nan 0.000 0.462 186 H N -0.591 118.118 119.070 -0.601 0.000 2.676 186 H HA 0.270 4.812 4.556 -0.023 0.000 0.238 186 H C -0.363 174.421 175.328 -0.908 0.000 1.276 186 H CA -0.076 55.623 56.048 -0.582 0.000 0.983 186 H CB 0.429 30.091 29.762 -0.167 0.000 2.000 186 H HN -0.137 nan 8.280 nan 0.000 0.584 187 T N 0.927 114.630 114.554 -1.418 0.000 2.812 187 T HA 0.364 4.701 4.350 -0.022 0.000 0.282 187 T C -0.708 173.030 174.700 -1.603 0.000 0.990 187 T CA -0.518 60.760 62.100 -1.371 0.000 0.960 187 T CB 1.365 69.321 68.868 -1.521 0.000 0.948 187 T HN 0.244 nan 8.240 nan 0.000 0.438 188 W N 1.718 122.704 121.300 -0.523 0.000 3.033 188 W HA 0.599 5.247 4.660 -0.021 0.000 0.336 188 W C 0.524 176.925 176.519 -0.197 0.000 1.173 188 W CA -0.865 56.307 57.345 -0.288 0.000 1.185 188 W CB 1.054 30.346 29.460 -0.279 0.000 1.425 188 W HN 0.465 nan 8.180 nan 0.000 0.536 189 I N 1.085 121.758 120.570 0.173 0.000 2.927 189 I HA 0.041 4.198 4.170 -0.022 0.000 0.268 189 I C -0.121 176.008 176.117 0.021 0.000 1.153 189 I CA 0.529 61.873 61.300 0.073 0.000 1.459 189 I CB 0.026 38.080 38.000 0.091 0.000 1.149 189 I HN 0.369 nan 8.210 nan 0.000 0.443 190 N N 0.250 118.973 118.700 0.038 0.000 2.442 190 N HA 0.292 5.019 4.740 -0.022 0.000 0.274 190 N C -0.880 174.532 175.510 -0.164 0.000 1.002 190 N CA -0.325 52.690 53.050 -0.059 0.000 0.910 190 N CB 2.390 40.850 38.487 -0.046 0.000 1.244 190 N HN -0.214 nan 8.380 nan 0.000 0.492 191 V N 3.814 123.540 119.914 -0.313 0.000 2.485 191 V HA 0.151 4.258 4.120 -0.022 0.000 0.287 191 V C -1.745 174.018 176.094 -0.551 0.000 1.022 191 V CA -0.978 60.968 62.300 -0.589 0.000 1.067 191 V CB 0.057 31.466 31.823 -0.689 0.000 0.967 191 V HN 0.579 nan 8.190 nan 0.000 0.479 192 P HA 0.230 nan 4.420 nan 0.000 0.274 192 P C -2.027 175.050 177.300 -0.371 0.000 1.231 192 P CA -1.460 61.321 63.100 -0.531 0.000 0.790 192 P CB 0.177 31.481 31.700 -0.660 0.000 0.951 193 P HA -0.224 nan 4.420 nan 0.000 0.216 193 P C 1.127 178.343 177.300 -0.139 0.000 1.150 193 P CA 1.834 64.849 63.100 -0.143 0.000 0.843 193 P CB -0.335 31.308 31.700 -0.095 0.000 0.787 194 A N -0.200 122.519 122.820 -0.168 0.000 2.070 194 A HA -0.159 4.147 4.320 -0.022 0.000 0.220 194 A C 1.804 179.312 177.584 -0.128 0.000 1.159 194 A CA 1.382 53.344 52.037 -0.124 0.000 0.656 194 A CB -0.689 18.241 19.000 -0.115 0.000 0.800 194 A HN 0.116 nan 8.150 nan 0.000 0.453 195 E N -0.281 119.782 120.200 -0.228 0.000 2.481 195 E HA 0.022 4.359 4.350 -0.022 0.000 0.198 195 E C 1.119 177.641 176.600 -0.130 0.000 1.027 195 E CA 0.111 56.398 56.400 -0.189 0.000 0.900 195 E CB -0.096 29.378 29.700 -0.377 0.000 0.993 195 E HN 0.746 nan 8.360 nan 0.000 0.482 196 E N 1.438 121.575 120.200 -0.106 0.000 2.204 196 E HA -0.197 4.140 4.350 -0.022 0.000 0.195 196 E C 1.865 178.481 176.600 0.027 0.000 0.990 196 E CA 1.129 57.517 56.400 -0.019 0.000 0.821 196 E CB -0.132 29.565 29.700 -0.004 0.000 0.750 196 E HN 0.291 nan 8.360 nan 0.000 0.477 197 K N 0.392 120.801 120.400 0.016 0.000 2.211 197 K HA -0.149 4.157 4.320 -0.022 0.000 0.204 197 K C 1.106 177.732 176.600 0.043 0.000 1.047 197 K CA 1.730 58.040 56.287 0.037 0.000 0.935 197 K CB -0.164 32.351 32.500 0.026 0.000 0.728 197 K HN 0.037 nan 8.250 nan 0.000 0.452 198 N N -0.594 118.126 118.700 0.033 0.000 2.236 198 N HA 0.019 4.746 4.740 -0.022 0.000 0.196 198 N C -0.892 174.654 175.510 0.061 0.000 1.114 198 N CA -0.389 52.683 53.050 0.036 0.000 0.859 198 N CB 0.293 38.794 38.487 0.024 0.000 0.982 198 N HN 0.216 nan 8.380 nan 0.000 0.493 199 Y N 2.092 122.317 120.300 -0.124 0.000 2.486 199 Y HA 0.339 4.878 4.550 -0.018 0.000 0.348 199 Y C 0.340 176.136 175.900 -0.174 0.000 1.000 199 Y CA -1.374 56.604 58.100 -0.202 0.000 1.253 199 Y CB 0.239 38.505 38.460 -0.322 0.000 1.140 199 Y HN -0.004 nan 8.280 nan 0.000 0.526 200 A N 6.128 129.001 122.820 0.088 0.000 2.406 200 A HA 0.042 4.349 4.320 -0.022 0.000 0.243 200 A C -1.152 176.442 177.584 0.017 0.000 1.082 200 A CA -0.240 51.812 52.037 0.026 0.000 0.786 200 A CB 0.322 19.274 19.000 -0.079 0.000 1.029 200 A HN 0.937 nan 8.150 nan 0.000 0.495 201 W N 0.157 121.503 121.300 0.076 0.000 2.376 201 W HA 0.501 5.158 4.660 -0.005 0.000 0.322 201 W C 0.825 177.084 176.519 -0.433 0.000 1.160 201 W CA 0.431 57.631 57.345 -0.242 0.000 1.218 201 W CB 1.387 30.547 29.460 -0.499 0.000 1.205 201 W HN 0.932 nan 8.180 nan 0.000 0.559 202 G N 1.407 110.008 108.800 -0.331 0.000 2.476 202 G HA2 0.491 4.437 3.960 -0.022 0.000 0.286 202 G HA3 0.491 4.437 3.960 -0.022 0.000 0.286 202 G C -2.133 172.379 174.900 -0.646 0.000 1.177 202 G CA -0.432 44.169 45.100 -0.832 0.000 0.870 202 G HN 0.420 nan 8.290 nan 0.000 0.528 203 Y N -0.292 119.911 120.300 -0.162 0.000 2.361 203 Y HA 0.542 5.077 4.550 -0.025 0.000 0.337 203 Y C 0.448 176.336 175.900 -0.019 0.000 0.965 203 Y CA -0.800 57.269 58.100 -0.052 0.000 1.091 203 Y CB 2.305 40.744 38.460 -0.036 0.000 1.182 203 Y HN 0.473 nan 8.280 nan 0.000 0.450 204 R N 3.233 123.787 120.500 0.091 0.000 2.473 204 R HA 0.270 4.596 4.340 -0.022 0.000 0.303 204 R C -0.701 175.641 176.300 0.069 0.000 1.002 204 R CA -0.264 55.882 56.100 0.076 0.000 0.884 204 R CB 0.633 30.963 30.300 0.051 0.000 1.173 204 R HN 0.914 nan 8.270 nan 0.000 0.464 205 E N 2.704 122.946 120.200 0.070 0.000 2.513 205 E HA -0.251 4.086 4.350 -0.022 0.000 0.257 205 E C 0.509 177.141 176.600 0.054 0.000 1.098 205 E CA 0.903 57.333 56.400 0.050 0.000 0.752 205 E CB -1.288 28.432 29.700 0.033 0.000 1.324 205 E HN 1.199 nan 8.360 nan 0.000 0.403 206 G N -0.100 108.755 108.800 0.092 0.000 2.234 206 G HA2 -0.371 3.576 3.960 -0.022 0.000 0.260 206 G HA3 -0.371 3.576 3.960 -0.022 0.000 0.260 206 G C 0.258 175.251 174.900 0.156 0.000 0.987 206 G CA 0.950 46.112 45.100 0.103 0.000 0.625 206 G HN 0.284 nan 8.290 nan 0.000 0.532 207 K N 0.903 121.361 120.400 0.096 0.000 2.156 207 K HA 0.681 4.988 4.320 -0.022 0.000 0.271 207 K C 0.505 177.040 176.600 -0.109 0.000 0.995 207 K CA -0.007 56.284 56.287 0.007 0.000 0.890 207 K CB 1.677 34.154 32.500 -0.037 0.000 1.073 207 K HN 0.470 nan 8.250 nan 0.000 0.454 208 A N 2.417 125.055 122.820 -0.304 0.000 2.454 208 A HA 0.366 4.672 4.320 -0.022 0.000 0.260 208 A C -0.057 177.324 177.584 -0.338 0.000 1.106 208 A CA -0.367 51.278 52.037 -0.654 0.000 0.780 208 A CB -0.229 18.187 19.000 -0.974 0.000 1.044 208 A HN 0.540 nan 8.150 nan 0.000 0.498 209 V N 1.018 120.862 119.914 -0.116 0.000 2.971 209 V HA 0.686 4.793 4.120 -0.022 0.000 0.309 209 V C -0.722 175.466 176.094 0.157 0.000 1.130 209 V CA -0.842 61.501 62.300 0.072 0.000 0.964 209 V CB 1.212 33.062 31.823 0.045 0.000 1.029 209 V HN 0.966 nan 8.190 nan 0.000 0.427 210 H N 0.630 119.831 119.070 0.218 0.000 2.670 210 H HA 0.703 5.248 4.556 -0.018 0.000 0.361 210 H C -0.468 174.953 175.328 0.156 0.000 1.169 210 H CA -0.968 55.140 56.048 0.100 0.000 1.198 210 H CB 2.294 31.971 29.762 -0.142 0.000 1.700 210 H HN 0.783 nan 8.280 nan 0.000 0.542 211 V N 2.134 122.241 119.914 0.321 0.000 2.673 211 V HA 0.002 4.109 4.120 -0.022 0.000 0.303 211 V C -0.187 176.031 176.094 0.206 0.000 1.046 211 V CA 0.329 62.770 62.300 0.235 0.000 1.126 211 V CB 0.809 32.773 31.823 0.236 0.000 0.934 211 V HN 0.747 nan 8.190 nan 0.000 0.487 212 S N 7.096 122.899 115.700 0.170 0.000 2.610 212 S HA 0.501 4.958 4.470 -0.022 0.000 0.273 212 S C -2.299 172.397 174.600 0.160 0.000 1.274 212 S CA -0.682 57.604 58.200 0.143 0.000 1.023 212 S CB 1.146 64.409 63.200 0.106 0.000 0.962 212 S HN 0.817 nan 8.310 nan 0.000 0.523 213 P HA 0.489 nan 4.420 nan 0.000 0.271 213 P C -0.239 177.120 177.300 0.098 0.000 1.218 213 P CA -0.130 63.024 63.100 0.090 0.000 0.780 213 P CB 0.502 32.233 31.700 0.051 0.000 0.901 214 G N -0.027 108.823 108.800 0.082 0.000 2.673 214 G HA2 0.545 4.492 3.960 -0.022 0.000 0.292 214 G HA3 0.545 4.492 3.960 -0.022 0.000 0.292 214 G C -1.373 173.527 174.900 -0.001 0.000 1.450 214 G CA -0.483 44.664 45.100 0.079 0.000 0.837 214 G HN 0.537 nan 8.290 nan 0.000 0.505 215 A N 0.460 123.265 122.820 -0.025 0.000 2.540 215 A HA 0.521 4.828 4.320 -0.022 0.000 0.239 215 A C 1.477 179.004 177.584 -0.094 0.000 1.061 215 A CA 0.624 52.624 52.037 -0.061 0.000 0.758 215 A CB -0.378 18.582 19.000 -0.067 0.000 0.991 215 A HN 1.779 nan 8.150 nan 0.000 0.502 216 L N 0.273 121.410 121.223 -0.144 0.000 4.179 216 L HA -0.327 4.000 4.340 -0.022 0.000 0.418 216 L C 1.132 177.768 176.870 -0.391 0.000 1.168 216 L CA 0.716 55.418 54.840 -0.229 0.000 0.972 216 L CB -1.806 40.181 42.059 -0.119 0.000 2.005 216 L HN 1.008 nan 8.230 nan 0.000 0.935 217 D N 0.138 120.258 120.400 -0.468 0.000 2.144 217 D HA -0.121 4.506 4.640 -0.022 0.000 0.200 217 D C 1.969 177.837 176.300 -0.720 0.000 0.978 217 D CA 1.374 54.798 54.000 -0.959 0.000 0.833 217 D CB -0.076 40.351 40.800 -0.621 0.000 0.961 217 D HN 0.445 nan 8.370 nan 0.000 0.470 218 A N 0.705 123.279 122.820 -0.411 0.000 1.902 218 A HA -0.198 4.109 4.320 -0.022 0.000 0.217 218 A C 2.080 179.473 177.584 -0.319 0.000 1.181 218 A CA 1.807 53.699 52.037 -0.242 0.000 0.623 218 A CB -0.590 18.351 19.000 -0.098 0.000 0.818 218 A HN 0.208 nan 8.150 nan 0.000 0.443 219 E N -0.352 119.453 120.200 -0.659 0.000 2.158 219 E HA 0.155 4.491 4.350 -0.022 0.000 0.191 219 E C 2.013 178.457 176.600 -0.260 0.000 0.982 219 E CA 1.174 57.117 56.400 -0.761 0.000 0.823 219 E CB -0.238 28.915 29.700 -0.912 0.000 0.766 219 E HN 0.577 nan 8.360 nan 0.000 0.468 220 A N -0.148 122.526 122.820 -0.244 0.000 2.014 220 A HA 0.074 4.380 4.320 -0.022 0.000 0.210 220 A C 0.670 178.347 177.584 0.156 0.000 1.188 220 A CA 0.612 52.645 52.037 -0.007 0.000 0.731 220 A CB -0.040 19.009 19.000 0.081 0.000 0.858 220 A HN 0.413 nan 8.150 nan 0.000 0.464 221 Y N -4.041 116.291 120.300 0.052 0.000 2.990 221 Y HA 0.511 5.047 4.550 -0.023 0.000 0.240 221 Y C 0.758 176.684 175.900 0.044 0.000 1.060 221 Y CA -0.524 57.619 58.100 0.072 0.000 1.167 221 Y CB -0.390 38.121 38.460 0.085 0.000 1.242 221 Y HN -0.020 nan 8.280 nan 0.000 0.650 222 G N 0.509 109.280 108.800 -0.048 0.000 3.088 222 G HA2 0.331 4.278 3.960 -0.022 0.000 0.217 222 G HA3 0.331 4.278 3.960 -0.022 0.000 0.217 222 G C -0.183 174.708 174.900 -0.015 0.000 1.159 222 G CA 0.065 45.142 45.100 -0.039 0.000 0.760 222 G HN 0.144 nan 8.290 nan 0.000 0.550 223 V N 0.627 120.532 119.914 -0.016 0.000 2.546 223 V HA 0.432 4.538 4.120 -0.022 0.000 0.284 223 V C -0.318 175.695 176.094 -0.135 0.000 1.050 223 V CA -0.405 61.827 62.300 -0.114 0.000 0.981 223 V CB 1.434 33.107 31.823 -0.249 0.000 0.990 223 V HN 0.125 nan 8.190 nan 0.000 0.474 224 K N 2.474 122.756 120.400 -0.196 0.000 2.324 224 K HA 0.784 5.090 4.320 -0.022 0.000 0.253 224 K C -0.570 175.907 176.600 -0.204 0.000 0.932 224 K CA -0.183 55.981 56.287 -0.204 0.000 0.799 224 K CB 2.048 34.338 32.500 -0.350 0.000 1.154 224 K HN 0.705 nan 8.250 nan 0.000 0.425 225 S N 0.251 115.889 115.700 -0.104 0.000 2.625 225 S HA 0.631 5.088 4.470 -0.022 0.000 0.271 225 S C -1.107 173.537 174.600 0.074 0.000 1.161 225 S CA -0.698 57.435 58.200 -0.111 0.000 0.820 225 S CB 0.979 64.076 63.200 -0.173 0.000 1.137 225 S HN 0.673 nan 8.310 nan 0.000 0.470 226 T N 0.267 114.852 114.554 0.051 0.000 2.912 226 T HA 0.509 4.846 4.350 -0.022 0.000 0.280 226 T C 1.241 176.014 174.700 0.122 0.000 0.989 226 T CA -0.541 61.636 62.100 0.129 0.000 0.995 226 T CB 0.752 69.639 68.868 0.031 0.000 1.077 226 T HN 0.431 nan 8.240 nan 0.000 0.531 227 I N 0.720 121.370 120.570 0.133 0.000 2.493 227 I HA -0.038 4.119 4.170 -0.022 0.000 0.254 227 I C 2.288 178.478 176.117 0.121 0.000 1.160 227 I CA 1.386 62.766 61.300 0.133 0.000 1.445 227 I CB -0.651 37.441 38.000 0.152 0.000 1.086 227 I HN 0.806 nan 8.210 nan 0.000 0.433 228 E N -0.100 120.065 120.200 -0.060 0.000 2.046 228 E HA -0.205 4.131 4.350 -0.022 0.000 0.190 228 E C 1.685 178.334 176.600 0.080 0.000 0.982 228 E CA 1.378 57.732 56.400 -0.077 0.000 0.800 228 E CB -0.189 29.354 29.700 -0.261 0.000 0.756 228 E HN 0.446 nan 8.360 nan 0.000 0.449 229 D N 0.201 120.625 120.400 0.039 0.000 2.178 229 D HA -0.120 4.506 4.640 -0.022 0.000 0.201 229 D C 1.788 178.180 176.300 0.153 0.000 0.980 229 D CA 0.919 54.948 54.000 0.048 0.000 0.842 229 D CB 0.014 40.767 40.800 -0.077 0.000 0.948 229 D HN 0.064 nan 8.370 nan 0.000 0.472 230 M N 0.084 119.792 119.600 0.180 0.000 2.254 230 M HA 0.051 4.518 4.480 -0.022 0.000 0.265 230 M C 2.163 178.631 176.300 0.281 0.000 1.066 230 M CA 0.571 56.039 55.300 0.279 0.000 1.123 230 M CB -0.965 31.780 32.600 0.242 0.000 1.388 230 M HN -0.021 nan 8.290 nan 0.000 0.425 231 A N -0.189 122.776 122.820 0.241 0.000 1.898 231 A HA -0.172 4.135 4.320 -0.022 0.000 0.216 231 A C 2.373 180.034 177.584 0.128 0.000 1.181 231 A CA 1.701 53.851 52.037 0.188 0.000 0.620 231 A CB -0.646 18.517 19.000 0.273 0.000 0.819 231 A HN 0.453 nan 8.150 nan 0.000 0.442 232 R N -1.336 119.261 120.500 0.162 0.000 2.092 232 R HA -0.161 4.165 4.340 -0.022 0.000 0.231 232 R C 2.133 178.540 176.300 0.178 0.000 1.119 232 R CA 1.478 57.654 56.100 0.127 0.000 0.970 232 R CB -0.369 30.006 30.300 0.124 0.000 0.864 232 R HN 0.834 nan 8.270 nan 0.000 0.440 233 W N 0.433 121.749 121.300 0.027 0.000 2.355 233 W HA -0.197 4.450 4.660 -0.021 0.000 0.309 233 W C 1.423 177.883 176.519 -0.098 0.000 1.206 233 W CA 1.148 58.498 57.345 0.009 0.000 1.284 233 W CB -0.074 29.426 29.460 0.068 0.000 1.145 233 W HN -0.041 nan 8.180 nan 0.000 0.502 234 V N 1.608 121.467 119.914 -0.092 0.000 2.343 234 V HA -0.357 3.750 4.120 -0.022 0.000 0.247 234 V C 2.418 178.191 176.094 -0.535 0.000 1.051 234 V CA 2.348 64.384 62.300 -0.439 0.000 1.036 234 V CB -1.064 30.623 31.823 -0.227 0.000 0.654 234 V HN 0.279 nan 8.190 nan 0.000 0.451 235 Q N -0.210 119.422 119.800 -0.280 0.000 2.096 235 Q HA -0.193 4.134 4.340 -0.022 0.000 0.204 235 Q C 2.475 178.300 176.000 -0.293 0.000 0.982 235 Q CA 1.979 57.632 55.803 -0.250 0.000 0.850 235 Q CB -0.342 28.320 28.738 -0.127 0.000 0.901 235 Q HN 0.602 nan 8.270 nan 0.000 0.422 236 S N 0.983 116.526 115.700 -0.262 0.000 2.382 236 S HA -0.099 4.358 4.470 -0.022 0.000 0.228 236 S C 1.570 175.918 174.600 -0.420 0.000 1.027 236 S CA 0.988 59.036 58.200 -0.253 0.000 0.991 236 S CB -0.189 62.930 63.200 -0.135 0.000 0.823 236 S HN 0.372 nan 8.310 nan 0.000 0.469 237 N N 1.029 119.308 118.700 -0.703 0.000 2.354 237 N HA 0.125 4.851 4.740 -0.022 0.000 0.179 237 N C 1.610 176.639 175.510 -0.803 0.000 1.021 237 N CA 0.500 53.039 53.050 -0.851 0.000 0.887 237 N CB -0.135 37.599 38.487 -1.255 0.000 0.974 237 N HN 0.330 nan 8.380 nan 0.000 0.437 238 L N 0.525 121.266 121.223 -0.804 0.000 2.093 238 L HA -0.033 4.293 4.340 -0.022 0.000 0.208 238 L C 0.773 177.473 176.870 -0.283 0.000 1.085 238 L CA 1.137 55.672 54.840 -0.507 0.000 0.755 238 L CB 0.106 41.916 42.059 -0.416 0.000 0.904 238 L HN -0.075 nan 8.230 nan 0.000 0.435 239 K N -0.524 119.719 120.400 -0.262 0.000 2.842 239 K HA 0.195 4.501 4.320 -0.022 0.000 0.176 239 K C -1.862 174.648 176.600 -0.150 0.000 1.080 239 K CA -1.153 55.031 56.287 -0.172 0.000 0.954 239 K CB 1.270 33.685 32.500 -0.141 0.000 1.203 239 K HN -0.090 nan 8.250 nan 0.000 0.611 240 P HA -0.146 nan 4.420 nan 0.000 0.222 240 P C 1.067 178.323 177.300 -0.073 0.000 1.147 240 P CA 0.835 63.868 63.100 -0.111 0.000 0.790 240 P CB 0.284 31.923 31.700 -0.101 0.000 0.780 241 L N -0.246 120.935 121.223 -0.070 0.000 2.275 241 L HA -0.100 4.227 4.340 -0.022 0.000 0.215 241 L C 1.790 178.632 176.870 -0.046 0.000 1.119 241 L CA 1.189 55.998 54.840 -0.052 0.000 0.790 241 L CB -0.897 41.132 42.059 -0.050 0.000 0.919 241 L HN -0.074 nan 8.230 nan 0.000 0.443 242 D N 0.222 120.589 120.400 -0.055 0.000 2.347 242 D HA 0.087 4.714 4.640 -0.022 0.000 0.215 242 D C 0.804 177.083 176.300 -0.034 0.000 0.976 242 D CA 0.583 54.556 54.000 -0.046 0.000 0.884 242 D CB 0.110 40.877 40.800 -0.056 0.000 0.915 242 D HN 0.253 nan 8.370 nan 0.000 0.526 243 I N 1.411 121.961 120.570 -0.032 0.000 2.416 243 I HA -0.006 4.151 4.170 -0.022 0.000 0.288 243 I C 1.232 177.343 176.117 -0.010 0.000 1.051 243 I CA -0.289 61.001 61.300 -0.016 0.000 1.375 243 I CB 0.982 38.976 38.000 -0.011 0.000 1.407 243 I HN -0.266 nan 8.210 nan 0.000 0.516 244 N N 3.378 122.075 118.700 -0.006 0.000 2.216 244 N HA -0.099 4.628 4.740 -0.022 0.000 0.183 244 N C -0.088 175.420 175.510 -0.003 0.000 1.017 244 N CA 0.893 53.940 53.050 -0.006 0.000 0.861 244 N CB -0.029 38.455 38.487 -0.005 0.000 0.986 244 N HN 0.511 nan 8.380 nan 0.000 0.428 245 E N 1.024 121.225 120.200 0.002 0.000 2.292 245 E HA 0.035 4.372 4.350 -0.022 0.000 0.265 245 E C 0.648 177.250 176.600 0.004 0.000 1.093 245 E CA 0.154 56.556 56.400 0.003 0.000 0.922 245 E CB 0.575 30.280 29.700 0.007 0.000 1.001 245 E HN 0.197 nan 8.360 nan 0.000 0.444 246 K N 1.352 121.752 120.400 0.000 0.000 2.020 246 K HA -0.210 4.097 4.320 -0.022 0.000 0.212 246 K C 1.922 178.526 176.600 0.006 0.000 1.050 246 K CA 2.093 58.380 56.287 0.001 0.000 0.929 246 K CB -0.305 32.195 32.500 -0.001 0.000 0.714 246 K HN 0.628 nan 8.250 nan 0.000 0.443 247 T N -0.042 114.516 114.554 0.007 0.000 2.915 247 T HA -0.075 4.262 4.350 -0.022 0.000 0.269 247 T C 1.796 176.510 174.700 0.023 0.000 1.071 247 T CA 0.709 62.817 62.100 0.013 0.000 1.132 247 T CB -0.111 68.760 68.868 0.005 0.000 0.878 247 T HN 0.036 nan 8.240 nan 0.000 0.479 248 L N 1.052 122.290 121.223 0.024 0.000 2.095 248 L HA 0.172 4.499 4.340 -0.022 0.000 0.204 248 L C 2.744 179.639 176.870 0.042 0.000 1.080 248 L CA 1.653 56.520 54.840 0.045 0.000 0.759 248 L CB -1.034 41.056 42.059 0.051 0.000 0.914 248 L HN 0.345 nan 8.230 nan 0.000 0.439 249 Q N -0.828 118.985 119.800 0.021 0.000 2.096 249 Q HA -0.303 4.024 4.340 -0.022 0.000 0.204 249 Q C 2.293 178.299 176.000 0.009 0.000 0.982 249 Q CA 2.239 58.044 55.803 0.004 0.000 0.850 249 Q CB -0.192 28.542 28.738 -0.006 0.000 0.901 249 Q HN 0.714 nan 8.270 nan 0.000 0.422 250 Q N -0.816 118.995 119.800 0.018 0.000 2.079 250 Q HA -0.122 4.205 4.340 -0.022 0.000 0.200 250 Q C 1.955 177.984 176.000 0.048 0.000 0.974 250 Q CA 1.483 57.301 55.803 0.025 0.000 0.840 250 Q CB -0.350 28.403 28.738 0.025 0.000 0.898 250 Q HN 0.531 nan 8.270 nan 0.000 0.430 251 G N 1.184 110.020 108.800 0.061 0.000 2.440 251 G HA2 -0.254 3.693 3.960 -0.022 0.000 0.218 251 G HA3 -0.254 3.693 3.960 -0.022 0.000 0.218 251 G C 1.405 176.374 174.900 0.115 0.000 1.154 251 G CA 0.967 46.123 45.100 0.094 0.000 0.767 251 G HN 0.379 nan 8.290 nan 0.000 0.552 252 I N 0.289 120.911 120.570 0.085 0.000 2.226 252 I HA -0.238 3.919 4.170 -0.022 0.000 0.245 252 I C 3.030 179.181 176.117 0.056 0.000 1.100 252 I CA 1.259 62.598 61.300 0.065 0.000 1.374 252 I CB -0.318 37.663 38.000 -0.032 0.000 1.057 252 I HN 0.281 nan 8.210 nan 0.000 0.413 253 Q N 0.462 120.281 119.800 0.032 0.000 2.124 253 Q HA -0.168 4.159 4.340 -0.022 0.000 0.202 253 Q C 2.391 178.428 176.000 0.061 0.000 0.977 253 Q CA 1.292 57.107 55.803 0.019 0.000 0.850 253 Q CB -0.099 28.639 28.738 0.001 0.000 0.901 253 Q HN 0.537 nan 8.270 nan 0.000 0.429 254 L N 0.004 121.288 121.223 0.102 0.000 2.141 254 L HA -0.134 4.193 4.340 -0.022 0.000 0.209 254 L C 2.394 179.421 176.870 0.262 0.000 1.094 254 L CA 0.765 55.704 54.840 0.166 0.000 0.763 254 L CB -0.460 41.702 42.059 0.171 0.000 0.908 254 L HN 0.202 nan 8.230 nan 0.000 0.437 255 A N -0.780 122.189 122.820 0.248 0.000 2.015 255 A HA -0.176 4.131 4.320 -0.022 0.000 0.219 255 A C 2.060 179.872 177.584 0.380 0.000 1.163 255 A CA 1.101 53.338 52.037 0.335 0.000 0.646 255 A CB -0.231 19.000 19.000 0.385 0.000 0.806 255 A HN 0.475 nan 8.150 nan 0.000 0.448 256 Q N 0.106 120.045 119.800 0.232 0.000 2.319 256 Q HA 0.172 4.499 4.340 -0.022 0.000 0.202 256 Q C -0.055 175.976 176.000 0.052 0.000 0.896 256 Q CA -0.293 55.585 55.803 0.126 0.000 0.942 256 Q CB 0.349 29.076 28.738 -0.018 0.000 1.083 256 Q HN 0.518 nan 8.270 nan 0.000 0.510 257 S N 0.857 116.580 115.700 0.038 0.000 2.593 257 S HA 0.234 4.691 4.470 -0.022 0.000 0.269 257 S C 0.072 174.505 174.600 -0.278 0.000 1.334 257 S CA -0.243 57.831 58.200 -0.210 0.000 1.015 257 S CB 0.626 63.580 63.200 -0.410 0.000 0.912 257 S HN 0.227 nan 8.310 nan 0.000 0.541 258 R N 1.195 121.489 120.500 -0.344 0.000 2.198 258 R HA 0.254 4.581 4.340 -0.022 0.000 0.339 258 R C -0.412 175.719 176.300 -0.281 0.000 1.020 258 R CA -0.145 55.865 56.100 -0.150 0.000 0.864 258 R CB 0.398 30.611 30.300 -0.146 0.000 1.105 258 R HN 0.690 nan 8.270 nan 0.000 0.463 259 Y N 0.652 120.969 120.300 0.029 0.000 2.479 259 Y HA 0.144 4.681 4.550 -0.022 0.000 0.283 259 Y C 0.154 175.746 175.900 -0.513 0.000 1.109 259 Y CA 0.313 58.270 58.100 -0.239 0.000 1.239 259 Y CB 0.558 38.894 38.460 -0.207 0.000 1.108 259 Y HN 0.470 nan 8.280 nan 0.000 0.548 260 W N -0.381 121.095 121.300 0.292 0.000 3.083 260 W HA 0.570 5.217 4.660 -0.022 0.000 0.333 260 W C -0.921 175.704 176.519 0.177 0.000 1.217 260 W CA -0.989 56.480 57.345 0.207 0.000 1.170 260 W CB 1.155 30.725 29.460 0.184 0.000 1.437 260 W HN -0.469 nan 8.180 nan 0.000 0.557 261 Q N 1.209 121.208 119.800 0.332 0.000 2.347 261 Q HA 0.651 4.978 4.340 -0.022 0.000 0.271 261 Q C -1.380 174.638 176.000 0.029 0.000 1.064 261 Q CA -0.511 55.310 55.803 0.030 0.000 0.800 261 Q CB 2.577 31.252 28.738 -0.105 0.000 1.304 261 Q HN 0.446 nan 8.270 nan 0.000 0.438 262 T N 2.385 116.905 114.554 -0.057 0.000 3.031 262 T HA 0.601 4.937 4.350 -0.022 0.000 0.305 262 T C 0.306 174.960 174.700 -0.078 0.000 0.985 262 T CA 0.764 62.842 62.100 -0.035 0.000 1.008 262 T CB 0.636 69.504 68.868 -0.001 0.000 1.005 262 T HN 1.077 nan 8.240 nan 0.000 0.444 263 G N 5.001 113.756 108.800 -0.076 0.000 2.583 263 G HA2 -0.250 3.696 3.960 -0.022 0.000 0.292 263 G HA3 -0.250 3.696 3.960 -0.022 0.000 0.292 263 G C 0.274 175.101 174.900 -0.122 0.000 1.203 263 G CA 0.573 45.629 45.100 -0.074 0.000 0.987 263 G HN 0.704 nan 8.290 nan 0.000 0.554 264 D N 1.036 121.380 120.400 -0.094 0.000 2.328 264 D HA 0.181 4.807 4.640 -0.022 0.000 0.221 264 D C 1.096 177.322 176.300 -0.123 0.000 1.072 264 D CA 0.301 54.244 54.000 -0.094 0.000 0.850 264 D CB 0.213 40.997 40.800 -0.028 0.000 0.922 264 D HN 0.361 nan 8.370 nan 0.000 0.516 265 M N 0.684 120.188 119.600 -0.160 0.000 2.472 265 M HA 0.299 4.766 4.480 -0.022 0.000 0.331 265 M C -1.666 174.520 176.300 -0.190 0.000 1.170 265 M CA -0.529 54.742 55.300 -0.048 0.000 1.009 265 M CB 1.642 34.297 32.600 0.091 0.000 1.672 265 M HN -0.227 nan 8.290 nan 0.000 0.453 266 Y N 1.689 122.107 120.300 0.197 0.000 2.393 266 Y HA 0.431 4.968 4.550 -0.022 0.000 0.341 266 Y C -0.282 175.784 175.900 0.277 0.000 0.988 266 Y CA -0.639 57.589 58.100 0.213 0.000 1.078 266 Y CB 1.627 40.179 38.460 0.153 0.000 1.203 266 Y HN 0.592 nan 8.280 nan 0.000 0.453 267 Q N 1.759 121.852 119.800 0.488 0.000 2.290 267 Q HA 0.619 4.946 4.340 -0.022 0.000 0.259 267 Q C -0.152 176.160 176.000 0.519 0.000 0.941 267 Q CA -0.271 55.824 55.803 0.486 0.000 0.912 267 Q CB 1.335 30.385 28.738 0.520 0.000 1.244 267 Q HN 0.894 nan 8.270 nan 0.000 0.441 268 G N 2.736 111.811 108.800 0.458 0.000 2.890 268 G HA2 0.513 4.460 3.960 -0.022 0.000 0.189 268 G HA3 0.513 4.460 3.960 -0.022 0.000 0.189 268 G C -1.006 174.076 174.900 0.303 0.000 1.342 268 G CA -0.837 44.559 45.100 0.495 0.000 1.026 268 G HN 0.579 nan 8.290 nan 0.000 0.579 269 L N 1.152 122.520 121.223 0.242 0.000 2.272 269 L HA 0.477 4.804 4.340 -0.022 0.000 0.284 269 L C 1.295 178.216 176.870 0.085 0.000 1.045 269 L CA 0.385 55.234 54.840 0.015 0.000 0.842 269 L CB 0.560 42.610 42.059 -0.015 0.000 1.224 269 L HN 1.054 nan 8.230 nan 0.000 0.430 270 G N 2.136 110.964 108.800 0.046 0.000 3.909 270 G HA2 -0.292 3.654 3.960 -0.022 0.000 0.218 270 G HA3 -0.292 3.654 3.960 -0.022 0.000 0.218 270 G C -0.047 174.897 174.900 0.072 0.000 1.404 270 G CA -0.246 44.868 45.100 0.024 0.000 0.905 270 G HN 0.500 nan 8.290 nan 0.000 0.589 271 W N 2.218 123.634 121.300 0.194 0.000 2.150 271 W HA 0.611 5.258 4.660 -0.022 0.000 0.341 271 W C 0.818 177.463 176.519 0.211 0.000 1.276 271 W CA -0.238 57.210 57.345 0.172 0.000 1.238 271 W CB 0.450 29.990 29.460 0.132 0.000 1.128 271 W HN 0.347 nan 8.180 nan 0.000 0.581 272 E N 1.104 121.612 120.200 0.513 0.000 2.277 272 E HA 0.624 4.961 4.350 -0.022 0.000 0.266 272 E C -0.879 176.006 176.600 0.474 0.000 0.901 272 E CA -1.131 55.544 56.400 0.459 0.000 0.782 272 E CB 1.811 31.754 29.700 0.406 0.000 1.228 272 E HN 0.169 nan 8.360 nan 0.000 0.424 273 M N 1.486 121.335 119.600 0.415 0.000 2.575 273 M HA 0.488 4.954 4.480 -0.022 0.000 0.284 273 M C -1.652 174.887 176.300 0.399 0.000 1.253 273 M CA -0.370 55.118 55.300 0.315 0.000 0.861 273 M CB 1.744 34.445 32.600 0.169 0.000 1.733 273 M HN 0.296 nan 8.290 nan 0.000 0.462 274 L N 0.368 121.795 121.223 0.340 0.000 2.393 274 L HA 0.565 4.891 4.340 -0.022 0.000 0.260 274 L C -0.832 176.221 176.870 0.306 0.000 1.002 274 L CA -0.655 54.394 54.840 0.348 0.000 0.818 274 L CB 1.978 44.166 42.059 0.214 0.000 1.369 274 L HN 0.570 nan 8.230 nan 0.000 0.412 275 D N 0.754 121.326 120.400 0.286 0.000 2.382 275 D HA 0.014 4.640 4.640 -0.022 0.000 0.245 275 D C -0.972 175.485 176.300 0.262 0.000 1.120 275 D CA 0.159 54.285 54.000 0.211 0.000 0.890 275 D CB 1.318 42.211 40.800 0.154 0.000 1.201 275 D HN 0.366 nan 8.370 nan 0.000 0.433 276 W N 3.968 125.316 121.300 0.081 0.000 2.496 276 W HA 0.276 4.922 4.660 -0.022 0.000 0.327 276 W C -2.228 174.331 176.519 0.067 0.000 1.086 276 W CA -1.731 55.675 57.345 0.100 0.000 1.222 276 W CB 1.351 30.885 29.460 0.123 0.000 1.304 276 W HN 0.250 nan 8.180 nan 0.000 0.547 277 P HA 0.341 nan 4.420 nan 0.000 0.274 277 P C -1.386 175.567 177.300 -0.579 0.000 1.246 277 P CA -0.137 62.181 63.100 -1.305 0.000 0.795 277 P CB 2.431 33.526 31.700 -1.008 0.000 1.006 278 V N 0.765 120.336 119.914 -0.571 0.000 3.108 278 V HA 0.332 4.439 4.120 -0.022 0.000 0.287 278 V C -1.553 174.389 176.094 -0.255 0.000 1.436 278 V CA -0.778 61.367 62.300 -0.258 0.000 1.001 278 V CB 2.139 33.896 31.823 -0.110 0.000 1.141 278 V HN 0.929 nan 8.190 nan 0.000 0.443 279 N N 6.409 124.894 118.700 -0.357 0.000 2.482 279 N HA 0.648 5.374 4.740 -0.022 0.000 0.279 279 N C -1.920 173.138 175.510 -0.753 0.000 1.182 279 N CA -1.647 51.000 53.050 -0.671 0.000 0.969 279 N CB 0.924 39.078 38.487 -0.555 0.000 1.201 279 N HN 0.354 nan 8.380 nan 0.000 0.523 280 P HA -0.179 nan 4.420 nan 0.000 0.216 280 P C 0.935 178.015 177.300 -0.367 0.000 1.153 280 P CA 2.426 65.131 63.100 -0.658 0.000 0.858 280 P CB -0.566 30.765 31.700 -0.615 0.000 0.789 281 D N 0.191 120.393 120.400 -0.329 0.000 2.123 281 D HA -0.152 4.475 4.640 -0.022 0.000 0.196 281 D C 2.116 178.313 176.300 -0.170 0.000 0.992 281 D CA 1.947 55.823 54.000 -0.207 0.000 0.833 281 D CB -1.190 39.500 40.800 -0.184 0.000 0.954 281 D HN 0.152 nan 8.370 nan 0.000 0.455 282 S N -0.350 115.231 115.700 -0.200 0.000 2.383 282 S HA 0.007 4.464 4.470 -0.022 0.000 0.227 282 S C 2.179 176.709 174.600 -0.117 0.000 1.026 282 S CA 0.799 58.912 58.200 -0.144 0.000 0.981 282 S CB -0.212 62.899 63.200 -0.148 0.000 0.818 282 S HN 0.605 nan 8.310 nan 0.000 0.472 283 I N 1.445 121.910 120.570 -0.175 0.000 2.179 283 I HA -0.191 3.965 4.170 -0.022 0.000 0.242 283 I C 2.051 178.178 176.117 0.017 0.000 1.088 283 I CA 1.230 62.460 61.300 -0.117 0.000 1.357 283 I CB -0.442 37.395 38.000 -0.272 0.000 1.051 283 I HN 0.236 nan 8.210 nan 0.000 0.409 284 I N 0.847 121.400 120.570 -0.027 0.000 2.127 284 I HA -0.323 3.833 4.170 -0.022 0.000 0.241 284 I C 2.184 178.305 176.117 0.005 0.000 1.075 284 I CA 1.460 62.761 61.300 0.002 0.000 1.334 284 I CB -0.625 37.350 38.000 -0.043 0.000 1.040 284 I HN 0.308 nan 8.210 nan 0.000 0.405 285 N N 0.887 119.573 118.700 -0.023 0.000 2.309 285 N HA -0.079 4.648 4.740 -0.022 0.000 0.182 285 N C 1.427 176.940 175.510 0.004 0.000 1.018 285 N CA 1.369 54.408 53.050 -0.018 0.000 0.876 285 N CB -0.326 38.139 38.487 -0.037 0.000 0.972 285 N HN 0.390 nan 8.380 nan 0.000 0.434 286 G N 0.166 108.978 108.800 0.021 0.000 4.084 286 G HA2 0.345 4.292 3.960 -0.022 0.000 0.293 286 G HA3 0.345 4.292 3.960 -0.022 0.000 0.293 286 G C -0.121 174.853 174.900 0.123 0.000 1.303 286 G CA -0.083 45.048 45.100 0.050 0.000 1.289 286 G HN 0.301 nan 8.290 nan 0.000 0.609 287 S N -2.719 113.047 115.700 0.111 0.000 2.661 287 S HA 0.577 5.033 4.470 -0.022 0.000 0.268 287 S C -0.584 174.039 174.600 0.038 0.000 1.162 287 S CA -0.010 58.274 58.200 0.139 0.000 0.817 287 S CB 0.589 63.958 63.200 0.282 0.000 1.141 287 S HN 0.518 nan 8.310 nan 0.000 0.477 288 D N 0.870 121.252 120.400 -0.031 0.000 2.389 288 D HA 0.363 4.990 4.640 -0.022 0.000 0.263 288 D C -0.478 175.770 176.300 -0.086 0.000 1.255 288 D CA -0.008 53.906 54.000 -0.143 0.000 0.914 288 D CB -0.435 40.174 40.800 -0.317 0.000 1.116 288 D HN 0.480 nan 8.370 nan 0.000 0.502 289 N N 1.368 120.029 118.700 -0.064 0.000 2.443 289 N HA 0.397 5.124 4.740 -0.022 0.000 0.269 289 N C 1.755 177.235 175.510 -0.050 0.000 0.985 289 N CA 0.092 53.115 53.050 -0.045 0.000 0.921 289 N CB 1.897 40.371 38.487 -0.021 0.000 1.195 289 N HN 0.575 nan 8.380 nan 0.000 0.492 290 K N 3.144 123.510 120.400 -0.057 0.000 2.163 290 K HA -0.188 4.119 4.320 -0.022 0.000 0.210 290 K C 1.628 178.219 176.600 -0.016 0.000 1.048 290 K CA 1.388 57.649 56.287 -0.042 0.000 0.928 290 K CB -0.948 31.527 32.500 -0.041 0.000 0.716 290 K HN 0.609 nan 8.250 nan 0.000 0.459 291 I N 0.293 120.855 120.570 -0.013 0.000 2.170 291 I HA -0.003 4.154 4.170 -0.022 0.000 0.208 291 I C 1.706 177.828 176.117 0.007 0.000 1.047 291 I CA 0.491 61.791 61.300 -0.001 0.000 1.354 291 I CB -0.641 37.358 38.000 -0.002 0.000 1.139 291 I HN 0.396 nan 8.210 nan 0.000 0.397 292 A N 1.821 124.646 122.820 0.007 0.000 2.454 292 A HA 0.281 4.588 4.320 -0.022 0.000 0.260 292 A C -0.441 177.157 177.584 0.024 0.000 1.106 292 A CA -0.103 51.944 52.037 0.016 0.000 0.780 292 A CB -0.045 18.963 19.000 0.013 0.000 1.044 292 A HN 0.342 nan 8.150 nan 0.000 0.498 293 L N 3.534 124.782 121.223 0.041 0.000 2.278 293 L HA 0.602 4.929 4.340 -0.022 0.000 0.287 293 L C 0.304 177.215 176.870 0.068 0.000 1.072 293 L CA 0.184 55.062 54.840 0.063 0.000 0.819 293 L CB 0.521 42.630 42.059 0.084 0.000 1.176 293 L HN 0.740 nan 8.230 nan 0.000 0.435 294 A N 4.869 127.728 122.820 0.064 0.000 2.342 294 A HA 0.872 5.178 4.320 -0.022 0.000 0.323 294 A C -0.387 177.238 177.584 0.069 0.000 1.125 294 A CA -0.248 51.824 52.037 0.057 0.000 0.785 294 A CB 1.084 20.099 19.000 0.026 0.000 1.221 294 A HN 1.046 nan 8.150 nan 0.000 0.463 295 A N 3.091 125.952 122.820 0.069 0.000 2.276 295 A HA 0.665 4.972 4.320 -0.022 0.000 0.300 295 A C 0.171 177.692 177.584 -0.105 0.000 1.235 295 A CA -0.468 51.582 52.037 0.021 0.000 0.867 295 A CB 0.232 19.295 19.000 0.105 0.000 1.137 295 A HN 0.770 nan 8.150 nan 0.000 0.527 296 R N 3.106 123.514 120.500 -0.153 0.000 2.532 296 R HA 0.397 4.724 4.340 -0.022 0.000 0.297 296 R C -3.107 173.069 176.300 -0.207 0.000 0.984 296 R CA -1.853 54.161 56.100 -0.144 0.000 0.884 296 R CB 1.937 32.198 30.300 -0.066 0.000 1.182 296 R HN 0.401 nan 8.270 nan 0.000 0.442 297 P HA -0.013 nan 4.420 nan 0.000 0.268 297 P C -0.452 176.785 177.300 -0.106 0.000 1.205 297 P CA -0.265 62.717 63.100 -0.196 0.000 0.771 297 P CB 0.747 32.359 31.700 -0.147 0.000 0.858 298 V N 0.188 120.051 119.914 -0.085 0.000 2.815 298 V HA 0.614 4.721 4.120 -0.022 0.000 0.314 298 V C -0.470 175.736 176.094 0.188 0.000 1.064 298 V CA -1.043 61.286 62.300 0.049 0.000 0.952 298 V CB 2.241 34.063 31.823 -0.002 0.000 1.020 298 V HN 0.271 nan 8.190 nan 0.000 0.439 299 K N 2.205 122.770 120.400 0.274 0.000 2.274 299 K HA 0.791 5.098 4.320 -0.022 0.000 0.262 299 K C -0.179 176.645 176.600 0.373 0.000 0.961 299 K CA -0.359 56.085 56.287 0.262 0.000 0.833 299 K CB 2.106 34.690 32.500 0.140 0.000 1.102 299 K HN 1.074 nan 8.250 nan 0.000 0.436 300 A N 3.654 126.651 122.820 0.295 0.000 2.425 300 A HA 0.308 4.615 4.320 -0.022 0.000 0.249 300 A C -0.064 177.459 177.584 -0.101 0.000 1.084 300 A CA -0.334 51.637 52.037 -0.109 0.000 0.781 300 A CB -0.078 18.790 19.000 -0.220 0.000 1.019 300 A HN 0.758 nan 8.150 nan 0.000 0.490 301 I N 2.441 122.886 120.570 -0.208 0.000 2.306 301 I HA 0.211 4.368 4.170 -0.022 0.000 0.288 301 I C -0.250 175.772 176.117 -0.157 0.000 1.036 301 I CA 0.129 61.365 61.300 -0.107 0.000 1.221 301 I CB 1.176 39.137 38.000 -0.065 0.000 1.385 301 I HN 0.534 nan 8.210 nan 0.000 0.472 302 T N 6.491 120.986 114.554 -0.098 0.000 2.893 302 T HA 0.408 4.745 4.350 -0.022 0.000 0.324 302 T C -1.678 172.987 174.700 -0.057 0.000 1.082 302 T CA -0.970 61.079 62.100 -0.084 0.000 0.983 302 T CB 0.817 69.652 68.868 -0.055 0.000 1.005 302 T HN 0.459 nan 8.240 nan 0.000 0.475 303 P HA 0.496 nan 4.420 nan 0.000 0.278 303 P C -3.026 174.194 177.300 -0.135 0.000 1.266 303 P CA -1.945 61.103 63.100 -0.086 0.000 0.807 303 P CB 0.052 31.715 31.700 -0.062 0.000 1.094 304 P HA 0.053 nan 4.420 nan 0.000 0.266 304 P C -0.300 176.840 177.300 -0.267 0.000 1.195 304 P CA 0.456 63.356 63.100 -0.333 0.000 0.768 304 P CB -0.039 31.288 31.700 -0.622 0.000 0.838 305 T N 5.619 120.020 114.554 -0.256 0.000 2.814 305 T HA 0.240 4.577 4.350 -0.022 0.000 0.297 305 T C -2.111 172.461 174.700 -0.213 0.000 0.956 305 T CA -1.055 60.924 62.100 -0.201 0.000 1.123 305 T CB -0.121 68.628 68.868 -0.198 0.000 0.902 305 T HN 0.267 nan 8.240 nan 0.000 0.528 306 P HA 0.197 nan 4.420 nan 0.000 0.270 306 P C -0.445 176.779 177.300 -0.128 0.000 1.223 306 P CA -0.451 62.570 63.100 -0.131 0.000 0.785 306 P CB 0.309 31.954 31.700 -0.092 0.000 0.923 307 A N 2.329 125.087 122.820 -0.104 0.000 2.592 307 A HA 0.023 4.330 4.320 -0.022 0.000 0.250 307 A C 0.145 177.667 177.584 -0.104 0.000 1.017 307 A CA 0.341 52.318 52.037 -0.100 0.000 0.794 307 A CB -0.801 18.153 19.000 -0.077 0.000 0.917 307 A HN 0.368 nan 8.150 nan 0.000 0.515 308 V N 6.271 126.113 119.914 -0.121 0.000 2.385 308 V HA 0.132 4.239 4.120 -0.022 0.000 0.269 308 V C 1.579 177.625 176.094 -0.081 0.000 1.043 308 V CA -0.385 61.852 62.300 -0.106 0.000 0.906 308 V CB 0.891 32.632 31.823 -0.136 0.000 0.995 308 V HN 1.062 nan 8.190 nan 0.000 0.467 309 R N 3.709 124.173 120.500 -0.061 0.000 2.103 309 R HA -0.123 4.204 4.340 -0.022 0.000 0.242 309 R C 1.381 177.664 176.300 -0.029 0.000 1.142 309 R CA 1.595 57.664 56.100 -0.051 0.000 0.960 309 R CB -0.163 30.113 30.300 -0.041 0.000 0.858 309 R HN 0.743 nan 8.270 nan 0.000 0.439 310 A N 1.716 124.544 122.820 0.014 0.000 3.077 310 A HA 0.214 4.521 4.320 -0.022 0.000 0.255 310 A C -0.477 177.191 177.584 0.139 0.000 1.728 310 A CA 0.099 52.198 52.037 0.104 0.000 1.383 310 A CB -0.008 19.068 19.000 0.126 0.000 1.097 310 A HN 0.070 nan 8.150 nan 0.000 0.634 311 S N 0.307 116.045 115.700 0.063 0.000 2.570 311 S HA 0.548 5.005 4.470 -0.022 0.000 0.286 311 S C -0.938 173.686 174.600 0.039 0.000 1.099 311 S CA -0.587 57.658 58.200 0.076 0.000 0.913 311 S CB 1.257 64.422 63.200 -0.057 0.000 1.085 311 S HN 0.680 nan 8.310 nan 0.000 0.480 312 W N 3.863 125.131 121.300 -0.052 0.000 2.283 312 W HA 0.560 5.206 4.660 -0.023 0.000 0.317 312 W C -1.884 174.460 176.519 -0.292 0.000 1.042 312 W CA -0.565 56.677 57.345 -0.172 0.000 1.348 312 W CB 0.520 30.010 29.460 0.050 0.000 1.216 312 W HN 0.327 nan 8.180 nan 0.000 0.404 313 V N 7.717 127.177 119.914 -0.755 0.000 2.427 313 V HA 0.408 4.515 4.120 -0.022 0.000 0.286 313 V C 0.053 175.740 176.094 -0.678 0.000 1.034 313 V CA -0.239 61.579 62.300 -0.803 0.000 0.893 313 V CB 1.129 31.935 31.823 -1.694 0.000 0.982 313 V HN 0.684 nan 8.190 nan 0.000 0.452 314 H N 2.566 121.528 119.070 -0.179 0.000 2.960 314 H HA 0.917 5.460 4.556 -0.022 0.000 0.323 314 H C -1.255 174.253 175.328 0.300 0.000 1.326 314 H CA -1.327 54.710 56.048 -0.019 0.000 1.124 314 H CB 2.225 31.952 29.762 -0.057 0.000 1.853 314 H HN 0.423 nan 8.280 nan 0.000 0.536 315 K N 0.753 121.167 120.400 0.024 0.000 2.570 315 K HA 0.314 4.621 4.320 -0.022 0.000 0.256 315 K C -1.677 174.890 176.600 -0.054 0.000 0.939 315 K CA -0.310 55.942 56.287 -0.058 0.000 0.833 315 K CB 2.644 35.117 32.500 -0.045 0.000 1.318 315 K HN 0.813 nan 8.250 nan 0.000 0.433 316 T N 1.346 115.916 114.554 0.026 0.000 2.925 316 T HA 0.890 5.227 4.350 -0.022 0.000 0.285 316 T C -0.566 174.183 174.700 0.081 0.000 1.021 316 T CA -0.131 62.081 62.100 0.187 0.000 1.042 316 T CB 0.997 69.986 68.868 0.203 0.000 1.037 316 T HN 0.692 nan 8.240 nan 0.000 0.481 317 G N 0.799 109.669 108.800 0.117 0.000 2.704 317 G HA2 0.782 4.729 3.960 -0.022 0.000 0.293 317 G HA3 0.782 4.729 3.960 -0.022 0.000 0.293 317 G C -1.606 173.365 174.900 0.118 0.000 1.421 317 G CA -0.238 44.928 45.100 0.109 0.000 0.870 317 G HN 1.037 nan 8.290 nan 0.000 0.492 318 A N -0.034 122.858 122.820 0.120 0.000 2.604 318 A HA 0.975 5.282 4.320 -0.022 0.000 0.295 318 A C -0.126 177.539 177.584 0.135 0.000 1.067 318 A CA 0.108 52.226 52.037 0.136 0.000 0.683 318 A CB 1.614 20.659 19.000 0.076 0.000 1.281 318 A HN 1.910 nan 8.150 nan 0.000 0.407 319 T N -2.053 112.618 114.554 0.194 0.000 2.831 319 T HA 0.628 4.965 4.350 -0.022 0.000 0.287 319 T C 1.270 176.077 174.700 0.177 0.000 1.070 319 T CA 0.109 62.303 62.100 0.158 0.000 1.010 319 T CB 1.114 70.129 68.868 0.245 0.000 1.264 319 T HN 1.640 nan 8.240 nan 0.000 0.532 320 G N -0.332 108.552 108.800 0.141 0.000 2.475 320 G HA2 0.143 4.090 3.960 -0.022 0.000 0.220 320 G HA3 0.143 4.090 3.960 -0.022 0.000 0.220 320 G C 1.104 176.088 174.900 0.140 0.000 1.125 320 G CA 0.617 45.788 45.100 0.118 0.000 0.755 320 G HN 1.205 nan 8.290 nan 0.000 0.565 321 G N -1.354 107.572 108.800 0.210 0.000 3.519 321 G HA2 0.485 4.432 3.960 -0.022 0.000 0.269 321 G HA3 0.485 4.432 3.960 -0.022 0.000 0.269 321 G C -0.484 174.379 174.900 -0.062 0.000 1.028 321 G CA -0.479 44.663 45.100 0.070 0.000 0.809 321 G HN 0.178 nan 8.290 nan 0.000 0.521 322 F N -0.312 119.766 119.950 0.214 0.000 2.588 322 F HA 0.690 5.203 4.527 -0.023 0.000 0.310 322 F C 0.319 176.252 175.800 0.222 0.000 1.082 322 F CA -1.055 57.109 58.000 0.274 0.000 0.929 322 F CB 2.556 41.739 39.000 0.305 0.000 1.254 322 F HN 0.020 nan 8.300 nan 0.000 0.455 323 G N 0.778 109.843 108.800 0.443 0.000 2.666 323 G HA2 0.574 4.520 3.960 -0.022 0.000 0.303 323 G HA3 0.574 4.520 3.960 -0.022 0.000 0.303 323 G C -1.506 173.561 174.900 0.280 0.000 1.412 323 G CA -0.741 44.503 45.100 0.240 0.000 0.979 323 G HN 0.734 nan 8.290 nan 0.000 0.507 324 S N 0.797 116.632 115.700 0.224 0.000 2.599 324 S HA 0.836 5.292 4.470 -0.022 0.000 0.287 324 S C -1.526 173.253 174.600 0.298 0.000 1.105 324 S CA -0.968 57.381 58.200 0.250 0.000 0.899 324 S CB 2.387 65.725 63.200 0.230 0.000 1.100 324 S HN 0.947 nan 8.310 nan 0.000 0.482 325 Y N 0.474 120.866 120.300 0.154 0.000 2.442 325 Y HA 0.624 5.161 4.550 -0.023 0.000 0.330 325 Y C -1.846 174.181 175.900 0.213 0.000 1.100 325 Y CA -0.747 57.457 58.100 0.173 0.000 1.034 325 Y CB 1.722 40.290 38.460 0.180 0.000 1.285 325 Y HN 0.779 nan 8.280 nan 0.000 0.440 326 V N 4.532 124.233 119.914 -0.355 0.000 2.709 326 V HA 0.978 5.084 4.120 -0.022 0.000 0.308 326 V C -0.851 175.019 176.094 -0.373 0.000 1.062 326 V CA -0.333 61.889 62.300 -0.129 0.000 0.901 326 V CB 1.501 33.461 31.823 0.229 0.000 1.003 326 V HN 0.970 nan 8.190 nan 0.000 0.425 327 A N 4.556 127.209 122.820 -0.278 0.000 2.547 327 A HA 1.019 5.326 4.320 -0.022 0.000 0.297 327 A C -1.303 176.007 177.584 -0.456 0.000 1.056 327 A CA -0.512 51.189 52.037 -0.560 0.000 0.688 327 A CB 1.782 20.277 19.000 -0.842 0.000 1.282 327 A HN 1.415 nan 8.150 nan 0.000 0.400 328 F N -0.695 118.800 119.950 -0.758 0.000 2.686 328 F HA 0.851 5.364 4.527 -0.023 0.000 0.311 328 F C -1.342 174.088 175.800 -0.616 0.000 1.128 328 F CA -1.233 56.396 58.000 -0.618 0.000 0.946 328 F CB 1.408 40.112 39.000 -0.493 0.000 1.336 328 F HN 0.317 nan 8.300 nan 0.000 0.457 329 I N 2.287 122.658 120.570 -0.331 0.000 2.493 329 I HA 0.298 4.455 4.170 -0.022 0.000 0.279 329 I C -2.163 173.844 176.117 -0.184 0.000 1.045 329 I CA -1.869 59.203 61.300 -0.379 0.000 1.106 329 I CB 1.896 39.543 38.000 -0.588 0.000 1.216 329 I HN 0.382 nan 8.210 nan 0.000 0.459 330 P HA -0.241 nan 4.420 nan 0.000 0.216 330 P C 1.259 178.504 177.300 -0.092 0.000 1.157 330 P CA 1.414 64.478 63.100 -0.059 0.000 0.880 330 P CB 0.144 31.817 31.700 -0.045 0.000 0.791 331 E N -0.549 119.598 120.200 -0.087 0.000 2.472 331 E HA -0.133 4.203 4.350 -0.022 0.000 0.200 331 E C 1.124 177.676 176.600 -0.081 0.000 1.046 331 E CA 0.842 57.204 56.400 -0.064 0.000 0.871 331 E CB -0.420 29.268 29.700 -0.020 0.000 0.806 331 E HN 0.112 nan 8.360 nan 0.000 0.533 332 K N 0.656 120.980 120.400 -0.126 0.000 2.374 332 K HA 0.090 4.396 4.320 -0.022 0.000 0.202 332 K C -0.311 176.187 176.600 -0.169 0.000 1.040 332 K CA 0.181 56.382 56.287 -0.143 0.000 1.085 332 K CB 0.590 32.984 32.500 -0.177 0.000 0.873 332 K HN 0.187 nan 8.250 nan 0.000 0.539 333 E N 0.963 121.071 120.200 -0.153 0.000 2.440 333 E HA -0.236 4.101 4.350 -0.022 0.000 0.246 333 E C -0.595 175.909 176.600 -0.161 0.000 1.165 333 E CA 0.286 56.593 56.400 -0.156 0.000 0.726 333 E CB -1.427 28.179 29.700 -0.158 0.000 1.271 333 E HN 0.045 nan 8.360 nan 0.000 0.397 334 L N -0.183 120.947 121.223 -0.156 0.000 2.365 334 L HA 0.791 5.118 4.340 -0.022 0.000 0.273 334 L C 0.234 177.033 176.870 -0.120 0.000 1.000 334 L CA 0.209 54.972 54.840 -0.128 0.000 0.819 334 L CB 2.009 43.973 42.059 -0.158 0.000 1.284 334 L HN 0.074 nan 8.230 nan 0.000 0.418 335 G N 4.156 112.914 108.800 -0.069 0.000 2.649 335 G HA2 0.645 4.592 3.960 -0.022 0.000 0.290 335 G HA3 0.645 4.592 3.960 -0.022 0.000 0.290 335 G C -2.160 172.733 174.900 -0.011 0.000 1.426 335 G CA -0.439 44.622 45.100 -0.064 0.000 0.794 335 G HN 0.782 nan 8.290 nan 0.000 0.483 336 I N -0.503 120.069 120.570 0.003 0.000 2.841 336 I HA 0.631 4.788 4.170 -0.022 0.000 0.298 336 I C -1.471 174.714 176.117 0.114 0.000 1.304 336 I CA -0.950 60.397 61.300 0.078 0.000 1.019 336 I CB 2.323 40.383 38.000 0.100 0.000 1.282 336 I HN 0.415 nan 8.210 nan 0.000 0.432 337 V N 6.856 126.870 119.914 0.168 0.000 2.638 337 V HA 0.536 4.643 4.120 -0.022 0.000 0.306 337 V C -0.604 175.620 176.094 0.217 0.000 1.052 337 V CA -0.444 61.971 62.300 0.192 0.000 0.885 337 V CB 1.900 33.841 31.823 0.196 0.000 0.999 337 V HN 0.635 nan 8.190 nan 0.000 0.424 338 M N 5.976 125.719 119.600 0.239 0.000 2.142 338 M HA 0.628 5.094 4.480 -0.022 0.000 0.299 338 M C -1.361 175.040 176.300 0.167 0.000 0.960 338 M CA -0.155 55.283 55.300 0.229 0.000 0.920 338 M CB 1.976 34.764 32.600 0.312 0.000 1.541 338 M HN 0.392 nan 8.290 nan 0.000 0.429 339 L N 2.843 124.062 121.223 -0.007 0.000 2.356 339 L HA 0.991 5.318 4.340 -0.022 0.000 0.277 339 L C -0.515 176.213 176.870 -0.235 0.000 0.996 339 L CA -0.718 53.981 54.840 -0.235 0.000 0.822 339 L CB 1.874 43.464 42.059 -0.780 0.000 1.256 339 L HN 0.808 nan 8.230 nan 0.000 0.413 340 A N 1.898 124.847 122.820 0.215 0.000 2.498 340 A HA 0.617 4.924 4.320 -0.022 0.000 0.298 340 A C -0.586 177.383 177.584 0.642 0.000 1.075 340 A CA -0.756 51.543 52.037 0.436 0.000 0.714 340 A CB 1.363 20.612 19.000 0.414 0.000 1.299 340 A HN 0.752 nan 8.150 nan 0.000 0.407 341 N N 1.110 120.113 118.700 0.504 0.000 2.758 341 N HA 0.214 4.941 4.740 -0.022 0.000 0.293 341 N C -0.543 174.968 175.510 0.000 0.000 1.273 341 N CA -0.137 52.888 53.050 -0.041 0.000 1.022 341 N CB 0.275 38.694 38.487 -0.114 0.000 1.334 341 N HN 0.595 nan 8.380 nan 0.000 0.519 342 K N 0.237 120.734 120.400 0.162 0.000 2.550 342 K HA 0.203 4.509 4.320 -0.022 0.000 0.252 342 K C -1.631 175.150 176.600 0.302 0.000 0.943 342 K CA -0.650 55.756 56.287 0.198 0.000 0.806 342 K CB 1.201 33.821 32.500 0.200 0.000 1.289 342 K HN -0.007 nan 8.250 nan 0.000 0.435 343 N N 4.095 122.925 118.700 0.216 0.000 2.508 343 N HA 0.084 4.811 4.740 -0.022 0.000 0.253 343 N C -1.286 174.320 175.510 0.161 0.000 1.145 343 N CA -0.084 53.068 53.050 0.170 0.000 0.973 343 N CB -0.134 38.427 38.487 0.125 0.000 1.305 343 N HN 0.429 nan 8.380 nan 0.000 0.506 344 Y N 1.575 121.924 120.300 0.081 0.000 2.432 344 Y HA 0.731 5.267 4.550 -0.023 0.000 0.322 344 Y C -2.417 173.508 175.900 0.040 0.000 1.246 344 Y CA -3.406 54.725 58.100 0.052 0.000 1.268 344 Y CB -0.633 37.852 38.460 0.042 0.000 1.276 344 Y HN 0.286 nan 8.280 nan 0.000 0.499 345 P HA -0.040 nan 4.420 nan 0.000 0.260 345 P C 0.121 177.340 177.300 -0.135 0.000 1.172 345 P CA 0.434 63.515 63.100 -0.033 0.000 0.760 345 P CB 0.641 32.365 31.700 0.041 0.000 0.773 346 N N 4.806 123.422 118.700 -0.141 0.000 2.104 346 N HA -0.132 4.594 4.740 -0.022 0.000 0.190 346 N C -0.872 174.566 175.510 -0.120 0.000 1.024 346 N CA 1.753 54.708 53.050 -0.159 0.000 0.853 346 N CB -1.794 36.634 38.487 -0.098 0.000 1.008 346 N HN 0.446 nan 8.380 nan 0.000 0.424 347 P HA -0.086 nan 4.420 nan 0.000 0.216 347 P C 1.104 178.388 177.300 -0.026 0.000 1.150 347 P CA 1.537 64.611 63.100 -0.043 0.000 0.843 347 P CB -0.044 31.640 31.700 -0.026 0.000 0.787 348 A N -0.270 122.561 122.820 0.018 0.000 1.969 348 A HA -0.195 4.112 4.320 -0.022 0.000 0.218 348 A C 2.172 179.821 177.584 0.108 0.000 1.169 348 A CA 1.298 53.391 52.037 0.093 0.000 0.635 348 A CB -0.854 18.269 19.000 0.204 0.000 0.810 348 A HN 0.116 nan 8.150 nan 0.000 0.445 349 R N -0.650 119.860 120.500 0.016 0.000 2.066 349 R HA -0.058 4.268 4.340 -0.022 0.000 0.232 349 R C 2.002 178.150 176.300 -0.253 0.000 1.131 349 R CA 1.442 57.489 56.100 -0.088 0.000 0.955 349 R CB -0.748 29.347 30.300 -0.342 0.000 0.851 349 R HN 0.344 nan 8.270 nan 0.000 0.432 350 V N 2.046 121.762 119.914 -0.329 0.000 2.343 350 V HA -0.241 3.866 4.120 -0.022 0.000 0.247 350 V C 1.694 177.847 176.094 0.098 0.000 1.051 350 V CA 1.940 64.156 62.300 -0.140 0.000 1.036 350 V CB -0.491 31.307 31.823 -0.043 0.000 0.654 350 V HN 0.265 nan 8.190 nan 0.000 0.451 351 D N 0.432 120.866 120.400 0.056 0.000 2.123 351 D HA -0.147 4.479 4.640 -0.022 0.000 0.196 351 D C 2.223 178.642 176.300 0.199 0.000 0.992 351 D CA 1.769 55.834 54.000 0.110 0.000 0.833 351 D CB -0.288 40.542 40.800 0.051 0.000 0.954 351 D HN 0.459 nan 8.370 nan 0.000 0.455 352 A N 1.023 123.934 122.820 0.151 0.000 1.898 352 A HA 0.016 4.322 4.320 -0.022 0.000 0.216 352 A C 2.325 180.042 177.584 0.221 0.000 1.181 352 A CA 2.087 54.214 52.037 0.151 0.000 0.620 352 A CB -0.679 18.378 19.000 0.094 0.000 0.819 352 A HN 0.230 nan 8.150 nan 0.000 0.442 353 A N -1.579 121.421 122.820 0.301 0.000 1.902 353 A HA -0.183 4.124 4.320 -0.022 0.000 0.217 353 A C 2.010 179.904 177.584 0.517 0.000 1.181 353 A CA 1.555 53.855 52.037 0.437 0.000 0.623 353 A CB -0.913 18.506 19.000 0.699 0.000 0.818 353 A HN 0.820 nan 8.150 nan 0.000 0.443 354 W N 0.357 121.897 121.300 0.400 0.000 2.358 354 W HA -0.203 4.443 4.660 -0.023 0.000 0.303 354 W C 2.490 179.144 176.519 0.225 0.000 1.208 354 W CA 2.042 59.577 57.345 0.315 0.000 1.274 354 W CB -0.243 29.247 29.460 0.050 0.000 1.138 354 W HN 0.510 nan 8.180 nan 0.000 0.515 355 Q N 0.178 120.214 119.800 0.394 0.000 2.096 355 Q HA -0.255 4.072 4.340 -0.022 0.000 0.204 355 Q C 2.059 178.074 176.000 0.025 0.000 0.982 355 Q CA 2.705 58.638 55.803 0.216 0.000 0.850 355 Q CB -0.486 28.383 28.738 0.218 0.000 0.901 355 Q HN 0.429 nan 8.270 nan 0.000 0.422 356 I N 0.088 120.693 120.570 0.058 0.000 2.233 356 I HA -0.269 3.887 4.170 -0.022 0.000 0.243 356 I C 2.115 178.216 176.117 -0.027 0.000 1.093 356 I CA 0.847 62.152 61.300 0.009 0.000 1.380 356 I CB -0.130 37.887 38.000 0.029 0.000 1.067 356 I HN 0.263 nan 8.210 nan 0.000 0.413 357 L N 0.343 121.557 121.223 -0.014 0.000 2.156 357 L HA -0.175 4.151 4.340 -0.022 0.000 0.208 357 L C 2.381 179.161 176.870 -0.150 0.000 1.095 357 L CA 1.139 55.943 54.840 -0.061 0.000 0.770 357 L CB -0.845 41.192 42.059 -0.037 0.000 0.914 357 L HN 0.434 nan 8.230 nan 0.000 0.439 358 N N 0.901 119.387 118.700 -0.357 0.000 2.120 358 N HA -0.201 4.526 4.740 -0.022 0.000 0.188 358 N C 1.861 177.262 175.510 -0.182 0.000 1.024 358 N CA 1.399 54.184 53.050 -0.441 0.000 0.852 358 N CB 0.164 37.909 38.487 -1.237 0.000 1.003 358 N HN 0.304 nan 8.380 nan 0.000 0.424 359 A N 1.169 123.903 122.820 -0.143 0.000 1.972 359 A HA -0.018 4.288 4.320 -0.022 0.000 0.219 359 A C 2.036 179.615 177.584 -0.008 0.000 1.169 359 A CA 0.772 52.777 52.037 -0.054 0.000 0.635 359 A CB -0.374 18.602 19.000 -0.040 0.000 0.810 359 A HN 0.363 nan 8.150 nan 0.000 0.446 360 L N -0.219 121.009 121.223 0.009 0.000 2.611 360 L HA 0.067 4.394 4.340 -0.022 0.000 0.229 360 L C 0.967 177.909 176.870 0.120 0.000 1.137 360 L CA -0.394 54.505 54.840 0.098 0.000 0.901 360 L CB -0.414 41.737 42.059 0.154 0.000 1.098 360 L HN 0.450 nan 8.230 nan 0.000 0.456 361 Q N 0.000 119.838 119.800 0.063 0.000 2.315 361 Q HA 0.000 4.327 4.340 -0.022 0.000 0.214 361 Q CA 0.000 55.844 55.803 0.069 0.000 1.022 361 Q CB 0.000 28.814 28.738 0.126 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481