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 2w19_1_A DATA FIRST_RESID 3 DATA SEQUENCE WTVDIPIDQL PSLPPLPTDL RTRLDAALAK PAAQQPTWPA DQALAMRTVL DATA SEQUENCE ESVPPVTVPS EIVRLQEQLA QVAKGEAFLL QGGDCAETFM DNTEPHIRGN DATA SEQUENCE VRALLQMAVV LTYGASMPVV KVARIAGQYA KPRSADIDAL GLRSYRGDMI DATA SEQUENCE NGFAPDAAAR EHDPSRLVRA YANASAAMNL VRALTSSGLA SLHLVHDWNR DATA SEQUENCE EFVRTSPAGA RYEALATEID RGLRFMSACG VADRNLQTAE IYASHEALVL DATA SEQUENCE DYERAMLRLS DXXXGEPQLF DLSAHTVWIG ERTRQIDGAH IAFAQVIANP DATA SEQUENCE VGVKLGPNMT PELAVEYVER LDPHNKPGRL TLVSRMGNHK VRDLLPPIVE DATA SEQUENCE KVQATGHQVI WQCDPMHGNX XXXXXXXXTR HFDRIVDEVQ GFFEVHRALG DATA SEQUENCE THPGGIHVEI TXXXXXXXXX XXXXXXXXXX XXXXXXXXXX RLNTQQSLEL DATA SEQUENCE AFLVAEMLRD 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 3 W HA 0.000 nan 4.660 nan 0.000 0.303 3 W C 0.000 176.526 176.519 0.012 0.000 1.175 3 W CA 0.000 57.351 57.345 0.009 0.000 1.226 3 W CB 0.000 29.464 29.460 0.007 0.000 1.126 4 T N -0.117 114.444 114.554 0.012 0.000 2.930 4 T HA 0.837 5.187 4.350 -0.000 0.000 0.290 4 T C -0.273 174.431 174.700 0.007 0.000 1.052 4 T CA -0.069 62.038 62.100 0.012 0.000 1.017 4 T CB 0.958 69.837 68.868 0.017 0.000 1.137 4 T HN 2.247 nan 8.240 nan 0.000 0.511 5 V N -1.092 118.825 119.914 0.004 0.000 2.555 5 V HA 0.687 4.807 4.120 -0.000 0.000 0.302 5 V C -1.205 174.887 176.094 -0.003 0.000 1.038 5 V CA -1.046 61.253 62.300 -0.001 0.000 0.887 5 V CB 1.399 33.219 31.823 -0.004 0.000 0.991 5 V HN 0.850 nan 8.190 nan 0.000 0.434 6 D N 4.674 125.072 120.400 -0.004 0.000 2.277 6 D HA 0.528 5.168 4.640 -0.000 0.000 0.249 6 D C -0.292 176.001 176.300 -0.011 0.000 1.134 6 D CA -0.044 53.952 54.000 -0.007 0.000 0.863 6 D CB 1.313 42.110 40.800 -0.005 0.000 1.143 6 D HN 0.466 nan 8.370 nan 0.000 0.458 7 I N 3.764 124.324 120.570 -0.017 0.000 2.354 7 I HA 0.272 4.442 4.170 -0.000 0.000 0.286 7 I C -1.991 174.114 176.117 -0.020 0.000 1.007 7 I CA -2.390 58.898 61.300 -0.020 0.000 1.167 7 I CB 0.415 38.399 38.000 -0.027 0.000 1.320 7 I HN 0.069 nan 8.210 nan 0.000 0.458 8 P HA 0.224 nan 4.420 nan 0.000 0.264 8 P C -0.080 177.208 177.300 -0.020 0.000 1.193 8 P CA -0.043 63.047 63.100 -0.018 0.000 0.763 8 P CB 0.567 32.258 31.700 -0.015 0.000 0.810 9 I N 3.099 123.655 120.570 -0.024 0.000 2.363 9 I HA 0.041 4.211 4.170 -0.000 0.000 0.292 9 I C 0.535 176.637 176.117 -0.025 0.000 1.075 9 I CA -0.172 61.112 61.300 -0.027 0.000 1.333 9 I CB 0.104 38.082 38.000 -0.036 0.000 1.415 9 I HN 0.221 nan 8.210 nan 0.000 0.502 10 D N 7.666 128.054 120.400 -0.020 0.000 2.412 10 D HA 0.006 4.646 4.640 -0.000 0.000 0.257 10 D C -0.081 176.204 176.300 -0.025 0.000 1.217 10 D CA 0.254 54.243 54.000 -0.019 0.000 0.897 10 D CB 0.735 41.527 40.800 -0.014 0.000 1.132 10 D HN 0.492 nan 8.370 nan 0.000 0.493 11 Q N 2.385 122.170 119.800 -0.025 0.000 2.369 11 Q HA 0.365 4.705 4.340 -0.000 0.000 0.247 11 Q C -0.233 175.752 176.000 -0.025 0.000 1.083 11 Q CA 0.179 55.965 55.803 -0.028 0.000 0.905 11 Q CB 0.792 29.515 28.738 -0.026 0.000 1.305 11 Q HN 0.325 nan 8.270 nan 0.000 0.465 12 L N 2.689 123.894 121.223 -0.029 0.000 2.319 12 L HA 0.652 4.992 4.340 -0.000 0.000 0.267 12 L C -1.911 174.943 176.870 -0.027 0.000 1.011 12 L CA -2.589 52.235 54.840 -0.026 0.000 0.818 12 L CB 0.948 42.991 42.059 -0.026 0.000 1.316 12 L HN 0.416 nan 8.230 nan 0.000 0.432 13 P HA 0.073 nan 4.420 nan 0.000 0.266 13 P C -0.714 176.571 177.300 -0.026 0.000 1.195 13 P CA -0.277 62.810 63.100 -0.021 0.000 0.768 13 P CB 0.457 32.146 31.700 -0.017 0.000 0.838 14 S N 2.287 117.972 115.700 -0.024 0.000 2.580 14 S HA 0.335 4.805 4.470 -0.000 0.000 0.274 14 S C 0.237 174.824 174.600 -0.023 0.000 1.329 14 S CA -0.785 57.399 58.200 -0.026 0.000 1.036 14 S CB 0.304 63.490 63.200 -0.023 0.000 0.919 14 S HN 0.264 nan 8.310 nan 0.000 0.515 15 L N 1.314 122.522 121.223 -0.025 0.000 2.469 15 L HA 0.460 4.800 4.340 -0.000 0.000 0.253 15 L C -1.971 174.889 176.870 -0.016 0.000 1.143 15 L CA -2.473 52.355 54.840 -0.020 0.000 0.804 15 L CB -0.328 41.717 42.059 -0.023 0.000 1.214 15 L HN 0.457 nan 8.230 nan 0.000 0.476 16 P HA 0.090 nan 4.420 nan 0.000 0.266 16 P C -2.399 174.896 177.300 -0.009 0.000 1.195 16 P CA -0.598 62.496 63.100 -0.009 0.000 0.768 16 P CB -0.395 31.302 31.700 -0.007 0.000 0.838 17 P HA 0.115 nan 4.420 nan 0.000 0.272 17 P C -0.083 177.216 177.300 -0.002 0.000 1.240 17 P CA -0.238 62.859 63.100 -0.005 0.000 0.791 17 P CB 0.411 32.108 31.700 -0.004 0.000 0.978 18 L N 1.680 122.904 121.223 0.001 0.000 2.492 18 L HA 0.099 4.439 4.340 -0.000 0.000 0.280 18 L C -1.777 175.096 176.870 0.005 0.000 1.240 18 L CA -1.477 53.367 54.840 0.006 0.000 0.831 18 L CB -0.784 41.280 42.059 0.008 0.000 1.100 18 L HN 0.288 nan 8.230 nan 0.000 0.505 19 P HA 0.009 nan 4.420 nan 0.000 0.267 19 P C 0.469 177.771 177.300 0.003 0.000 1.200 19 P CA 0.006 63.109 63.100 0.005 0.000 0.772 19 P CB 0.512 32.216 31.700 0.006 0.000 0.855 20 T N 0.542 115.097 114.554 0.002 0.000 2.788 20 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 20 T C 1.246 175.946 174.700 0.002 0.000 1.044 20 T CA 1.927 64.028 62.100 0.002 0.000 1.139 20 T CB -0.695 68.174 68.868 0.002 0.000 0.867 20 T HN 0.632 nan 8.240 nan 0.000 0.454 21 D N 1.799 122.199 120.400 0.001 0.000 2.097 21 D HA -0.085 4.555 4.640 -0.000 0.000 0.197 21 D C 2.068 178.366 176.300 -0.003 0.000 0.984 21 D CA 0.954 54.954 54.000 -0.000 0.000 0.826 21 D CB -0.928 39.872 40.800 -0.000 0.000 0.973 21 D HN 0.352 nan 8.370 nan 0.000 0.460 22 L N -0.448 120.773 121.223 -0.004 0.000 2.093 22 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 22 L C 2.942 179.806 176.870 -0.009 0.000 1.085 22 L CA 0.850 55.684 54.840 -0.011 0.000 0.755 22 L CB -0.313 41.740 42.059 -0.010 0.000 0.904 22 L HN -0.072 nan 8.230 nan 0.000 0.435 23 R N -0.626 119.873 120.500 -0.001 0.000 2.092 23 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 23 R C 2.327 178.630 176.300 0.005 0.000 1.119 23 R CA 1.753 57.855 56.100 0.004 0.000 0.970 23 R CB -0.381 29.923 30.300 0.007 0.000 0.864 23 R HN 0.295 nan 8.270 nan 0.000 0.440 24 T N 0.411 114.966 114.554 0.003 0.000 2.720 24 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 24 T C 1.723 176.425 174.700 0.002 0.000 1.037 24 T CA 1.279 63.381 62.100 0.004 0.000 1.144 24 T CB -0.114 68.755 68.868 0.002 0.000 0.864 24 T HN 0.291 nan 8.240 nan 0.000 0.444 25 R N 0.206 120.704 120.500 -0.004 0.000 2.073 25 R HA 0.020 4.360 4.340 -0.000 0.000 0.234 25 R C 2.438 178.733 176.300 -0.007 0.000 1.134 25 R CA 0.999 57.093 56.100 -0.009 0.000 0.952 25 R CB -0.641 29.647 30.300 -0.020 0.000 0.850 25 R HN 0.228 nan 8.270 nan 0.000 0.433 26 L N 1.534 122.753 121.223 -0.007 0.000 2.012 26 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 26 L C 1.405 178.296 176.870 0.034 0.000 1.073 26 L CA 1.948 56.794 54.840 0.010 0.000 0.748 26 L CB -0.416 41.653 42.059 0.017 0.000 0.891 26 L HN 0.074 nan 8.230 nan 0.000 0.431 27 D N -0.275 120.140 120.400 0.026 0.000 2.144 27 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 27 D C 2.183 178.497 176.300 0.023 0.000 0.984 27 D CA 1.429 55.445 54.000 0.027 0.000 0.834 27 D CB -0.171 40.641 40.800 0.020 0.000 0.955 27 D HN 0.520 nan 8.370 nan 0.000 0.465 28 A N 1.001 123.831 122.820 0.017 0.000 1.898 28 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 28 A C 2.329 179.925 177.584 0.020 0.000 1.181 28 A CA 2.084 54.129 52.037 0.015 0.000 0.620 28 A CB -0.690 18.315 19.000 0.009 0.000 0.819 28 A HN 0.229 nan 8.150 nan 0.000 0.442 29 A N -0.309 122.526 122.820 0.024 0.000 1.908 29 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 29 A C 1.984 179.596 177.584 0.046 0.000 1.181 29 A CA 1.513 53.572 52.037 0.037 0.000 0.627 29 A CB -0.540 18.487 19.000 0.044 0.000 0.818 29 A HN 0.467 nan 8.150 nan 0.000 0.445 30 L N -0.858 120.394 121.223 0.049 0.000 2.591 30 L HA 0.069 4.409 4.340 -0.000 0.000 0.228 30 L C 2.487 179.369 176.870 0.020 0.000 1.133 30 L CA 0.399 55.261 54.840 0.036 0.000 0.880 30 L CB -0.197 41.891 42.059 0.048 0.000 1.033 30 L HN 0.428 nan 8.230 nan 0.000 0.450 31 A N -0.226 122.606 122.820 0.021 0.000 2.167 31 A HA -0.014 4.306 4.320 -0.000 0.000 0.214 31 A C 1.050 178.643 177.584 0.015 0.000 1.151 31 A CA 0.334 52.381 52.037 0.017 0.000 0.735 31 A CB -0.135 18.875 19.000 0.016 0.000 0.802 31 A HN 0.232 nan 8.150 nan 0.000 0.467 32 K N 1.135 121.546 120.400 0.018 0.000 2.258 32 K HA 0.293 4.613 4.320 -0.000 0.000 0.264 32 K C -2.545 174.065 176.600 0.018 0.000 1.007 32 K CA -1.793 54.507 56.287 0.021 0.000 0.941 32 K CB 0.269 32.786 32.500 0.030 0.000 0.966 32 K HN 0.127 nan 8.250 nan 0.000 0.480 33 P HA 0.051 nan 4.420 nan 0.000 0.271 33 P C -1.445 175.879 177.300 0.040 0.000 1.216 33 P CA -0.281 62.834 63.100 0.025 0.000 0.776 33 P CB 0.972 32.688 31.700 0.027 0.000 0.881 34 A N 2.458 125.300 122.820 0.035 0.000 2.319 34 A HA 0.659 4.979 4.320 -0.000 0.000 0.310 34 A C 0.087 177.735 177.584 0.106 0.000 1.152 34 A CA -0.727 51.354 52.037 0.074 0.000 0.783 34 A CB 0.900 19.874 19.000 -0.043 0.000 1.184 34 A HN 0.604 nan 8.150 nan 0.000 0.474 35 A N 2.150 125.060 122.820 0.149 0.000 2.351 35 A HA 0.545 4.865 4.320 -0.000 0.000 0.257 35 A C 0.677 178.295 177.584 0.058 0.000 1.087 35 A CA -0.012 52.065 52.037 0.066 0.000 0.798 35 A CB 0.023 19.035 19.000 0.020 0.000 1.033 35 A HN 1.257 nan 8.150 nan 0.000 0.488 36 Q N -1.104 118.696 119.800 0.001 0.000 2.503 36 Q HA -0.138 4.202 4.340 -0.000 0.000 0.267 36 Q C -0.544 175.429 176.000 -0.045 0.000 1.030 36 Q CA 0.938 56.722 55.803 -0.032 0.000 1.041 36 Q CB -1.604 27.094 28.738 -0.066 0.000 1.406 36 Q HN 0.834 nan 8.270 nan 0.000 0.524 37 Q N 0.800 120.575 119.800 -0.042 0.000 2.230 37 Q HA 0.465 4.805 4.340 -0.000 0.000 0.248 37 Q C -1.782 174.100 176.000 -0.196 0.000 0.915 37 Q CA -1.676 54.065 55.803 -0.102 0.000 0.900 37 Q CB 0.502 29.199 28.738 -0.069 0.000 1.229 37 Q HN 0.065 nan 8.270 nan 0.000 0.439 38 P HA 0.016 nan 4.420 nan 0.000 0.270 38 P C 0.310 177.347 177.300 -0.438 0.000 1.223 38 P CA 0.080 62.855 63.100 -0.542 0.000 0.785 38 P CB 0.375 31.110 31.700 -1.608 0.000 0.923 39 T N -3.327 111.117 114.554 -0.182 0.000 3.176 39 T HA 0.186 4.536 4.350 -0.000 0.000 0.263 39 T C 0.269 174.946 174.700 -0.037 0.000 1.021 39 T CA -0.707 61.289 62.100 -0.174 0.000 0.905 39 T CB -0.879 67.843 68.868 -0.243 0.000 1.057 39 T HN 0.416 nan 8.240 nan 0.000 0.558 40 W N 1.844 123.202 121.300 0.097 0.000 2.112 40 W HA 0.583 5.243 4.660 -0.000 0.000 0.349 40 W C -2.823 173.718 176.519 0.038 0.000 1.289 40 W CA -3.284 54.101 57.345 0.067 0.000 1.256 40 W CB -1.160 28.353 29.460 0.089 0.000 1.148 40 W HN -0.069 nan 8.180 nan 0.000 0.590 41 P HA 0.199 nan 4.420 nan 0.000 0.268 41 P C 0.634 178.042 177.300 0.179 0.000 1.205 41 P CA 0.282 63.493 63.100 0.184 0.000 0.771 41 P CB 0.908 32.672 31.700 0.106 0.000 0.858 42 A N 3.350 126.252 122.820 0.138 0.000 1.972 42 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 42 A C 1.791 179.409 177.584 0.058 0.000 1.169 42 A CA 1.857 53.962 52.037 0.115 0.000 0.635 42 A CB -1.013 18.038 19.000 0.084 0.000 0.810 42 A HN 0.687 nan 8.150 nan 0.000 0.446 43 D N -0.371 120.051 120.400 0.038 0.000 2.144 43 D HA -0.214 4.426 4.640 -0.000 0.000 0.200 43 D C 1.783 178.072 176.300 -0.019 0.000 0.978 43 D CA 1.528 55.534 54.000 0.009 0.000 0.833 43 D CB -0.677 40.128 40.800 0.009 0.000 0.961 43 D HN 0.632 nan 8.370 nan 0.000 0.470 44 Q N 0.567 120.349 119.800 -0.030 0.000 2.049 44 Q HA 0.026 4.366 4.340 -0.000 0.000 0.198 44 Q C 2.549 178.444 176.000 -0.176 0.000 0.971 44 Q CA 1.417 57.166 55.803 -0.091 0.000 0.833 44 Q CB -0.254 28.432 28.738 -0.088 0.000 0.896 44 Q HN 0.390 nan 8.270 nan 0.000 0.434 45 A N 1.349 124.048 122.820 -0.202 0.000 1.892 45 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 45 A C 2.099 179.621 177.584 -0.104 0.000 1.188 45 A CA 1.611 53.509 52.037 -0.231 0.000 0.631 45 A CB -0.812 18.192 19.000 0.007 0.000 0.822 45 A HN 0.371 nan 8.150 nan 0.000 0.447 46 L N -0.260 120.937 121.223 -0.044 0.000 2.042 46 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 46 L C 2.652 179.492 176.870 -0.050 0.000 1.076 46 L CA 2.370 57.193 54.840 -0.029 0.000 0.749 46 L CB -1.010 41.044 42.059 -0.010 0.000 0.893 46 L HN 0.363 nan 8.230 nan 0.000 0.432 47 A N -0.725 122.057 122.820 -0.064 0.000 1.908 47 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 47 A C 2.203 179.736 177.584 -0.085 0.000 1.181 47 A CA 2.291 54.287 52.037 -0.068 0.000 0.627 47 A CB -0.538 18.421 19.000 -0.068 0.000 0.818 47 A HN 0.506 nan 8.150 nan 0.000 0.445 48 M N -0.753 118.776 119.600 -0.119 0.000 2.156 48 M HA -0.044 4.436 4.480 -0.000 0.000 0.264 48 M C 2.167 178.410 176.300 -0.096 0.000 1.067 48 M CA 1.268 56.491 55.300 -0.127 0.000 1.131 48 M CB -1.236 31.242 32.600 -0.203 0.000 1.368 48 M HN 0.408 nan 8.290 nan 0.000 0.416 49 R N -0.558 119.894 120.500 -0.080 0.000 2.105 49 R HA -0.112 4.228 4.340 -0.000 0.000 0.239 49 R C 2.148 178.407 176.300 -0.068 0.000 1.135 49 R CA 1.826 57.891 56.100 -0.059 0.000 0.967 49 R CB -0.707 29.576 30.300 -0.029 0.000 0.861 49 R HN 0.382 nan 8.270 nan 0.000 0.442 50 T N 0.729 115.246 114.554 -0.062 0.000 2.788 50 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 50 T C 2.011 176.666 174.700 -0.075 0.000 1.044 50 T CA 1.210 63.274 62.100 -0.059 0.000 1.139 50 T CB -0.141 68.699 68.868 -0.047 0.000 0.867 50 T HN -0.002 nan 8.240 nan 0.000 0.454 51 V N 1.606 121.470 119.914 -0.083 0.000 2.255 51 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 51 V C 2.466 178.472 176.094 -0.147 0.000 1.051 51 V CA 1.583 63.824 62.300 -0.098 0.000 1.018 51 V CB -0.650 31.120 31.823 -0.089 0.000 0.641 51 V HN 0.450 nan 8.190 nan 0.000 0.445 52 L N -0.458 120.666 121.223 -0.165 0.000 2.275 52 L HA -0.145 4.194 4.340 -0.000 0.000 0.215 52 L C 2.451 179.182 176.870 -0.232 0.000 1.119 52 L CA 1.203 55.888 54.840 -0.259 0.000 0.790 52 L CB -0.568 41.354 42.059 -0.227 0.000 0.919 52 L HN 0.414 nan 8.230 nan 0.000 0.443 53 E N -0.276 119.835 120.200 -0.147 0.000 2.333 53 E HA -0.160 4.190 4.350 -0.000 0.000 0.198 53 E C 1.782 178.319 176.600 -0.105 0.000 1.007 53 E CA 1.343 57.678 56.400 -0.108 0.000 0.845 53 E CB 0.102 29.761 29.700 -0.069 0.000 0.766 53 E HN 0.491 nan 8.360 nan 0.000 0.507 54 S N -0.590 115.037 115.700 -0.121 0.000 2.603 54 S HA 0.105 4.575 4.470 -0.000 0.000 0.232 54 S C 0.655 175.185 174.600 -0.117 0.000 1.016 54 S CA -0.450 57.692 58.200 -0.097 0.000 0.976 54 S CB -0.096 63.062 63.200 -0.070 0.000 0.921 54 S HN 0.077 nan 8.310 nan 0.000 0.516 55 V N -0.247 119.544 119.914 -0.205 0.000 3.003 55 V HA 0.548 4.668 4.120 -0.000 0.000 0.305 55 V C -2.796 173.226 176.094 -0.120 0.000 1.078 55 V CA -2.165 59.996 62.300 -0.231 0.000 1.083 55 V CB -0.575 30.862 31.823 -0.644 0.000 1.039 55 V HN 0.019 nan 8.190 nan 0.000 0.481 56 P HA 0.242 nan 4.420 nan 0.000 0.265 56 P C -2.486 174.896 177.300 0.137 0.000 1.193 56 P CA -0.642 62.505 63.100 0.078 0.000 0.765 56 P CB -0.301 31.470 31.700 0.118 0.000 0.823 57 P HA 0.008 nan 4.420 nan 0.000 0.272 57 P C 0.575 177.963 177.300 0.146 0.000 1.240 57 P CA -0.103 63.058 63.100 0.102 0.000 0.791 57 P CB 0.827 32.552 31.700 0.042 0.000 0.978 58 V N 0.045 120.049 119.914 0.149 0.000 2.407 58 V HA -0.043 4.077 4.120 -0.000 0.000 0.245 58 V C 1.552 177.657 176.094 0.017 0.000 1.041 58 V CA 2.337 64.694 62.300 0.095 0.000 1.040 58 V CB -0.974 30.918 31.823 0.115 0.000 0.671 58 V HN 0.807 nan 8.190 nan 0.000 0.455 59 T N -1.355 113.185 114.554 -0.025 0.000 2.910 59 T HA 0.730 5.080 4.350 -0.000 0.000 0.287 59 T C -0.713 173.987 174.700 0.000 0.000 1.050 59 T CA -0.251 61.801 62.100 -0.080 0.000 1.011 59 T CB 2.060 70.710 68.868 -0.363 0.000 1.195 59 T HN 0.312 nan 8.240 nan 0.000 0.540 60 V N -2.062 117.876 119.914 0.040 0.000 2.914 60 V HA 0.603 4.723 4.120 -0.000 0.000 0.314 60 V C -2.400 173.669 176.094 -0.042 0.000 1.084 60 V CA -2.609 59.688 62.300 -0.006 0.000 0.963 60 V CB 1.393 33.215 31.823 -0.001 0.000 1.025 60 V HN 0.597 nan 8.190 nan 0.000 0.432 61 P HA -0.155 nan 4.420 nan 0.000 0.216 61 P C 1.970 179.135 177.300 -0.224 0.000 1.153 61 P CA 2.524 65.312 63.100 -0.520 0.000 0.858 61 P CB 0.056 31.219 31.700 -0.894 0.000 0.789 62 S N -0.413 115.218 115.700 -0.115 0.000 2.400 62 S HA -0.220 4.250 4.470 -0.000 0.000 0.232 62 S C 1.807 176.443 174.600 0.060 0.000 1.025 62 S CA 1.317 59.505 58.200 -0.020 0.000 0.993 62 S CB -1.209 61.984 63.200 -0.011 0.000 0.808 62 S HN 0.283 nan 8.310 nan 0.000 0.478 63 E N 1.022 121.292 120.200 0.115 0.000 2.152 63 E HA 0.050 4.400 4.350 -0.000 0.000 0.192 63 E C 1.960 178.706 176.600 0.243 0.000 0.983 63 E CA 1.164 57.690 56.400 0.210 0.000 0.818 63 E CB -0.313 29.588 29.700 0.334 0.000 0.758 63 E HN 0.593 nan 8.360 nan 0.000 0.467 64 I N 0.511 121.236 120.570 0.258 0.000 2.286 64 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 64 I C 2.282 178.504 176.117 0.175 0.000 1.104 64 I CA 0.556 62.011 61.300 0.257 0.000 1.397 64 I CB -0.103 38.126 38.000 0.382 0.000 1.072 64 I HN -0.032 nan 8.210 nan 0.000 0.417 65 V N 1.040 121.061 119.914 0.179 0.000 2.287 65 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 65 V C 2.662 178.797 176.094 0.069 0.000 1.053 65 V CA 2.169 64.548 62.300 0.132 0.000 1.027 65 V CB -0.770 31.120 31.823 0.112 0.000 0.646 65 V HN 0.419 nan 8.190 nan 0.000 0.447 66 R N -0.285 120.258 120.500 0.070 0.000 2.081 66 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 66 R C 2.267 178.565 176.300 -0.003 0.000 1.131 66 R CA 1.857 57.992 56.100 0.059 0.000 0.960 66 R CB -0.432 29.931 30.300 0.105 0.000 0.856 66 R HN 0.437 nan 8.270 nan 0.000 0.436 67 L N 1.177 122.337 121.223 -0.106 0.000 2.042 67 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 67 L C 2.352 179.100 176.870 -0.204 0.000 1.076 67 L CA 2.052 56.652 54.840 -0.399 0.000 0.749 67 L CB -0.746 40.903 42.059 -0.683 0.000 0.893 67 L HN 0.264 nan 8.230 nan 0.000 0.432 68 Q N 0.202 119.947 119.800 -0.090 0.000 2.061 68 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 68 Q C 2.071 178.046 176.000 -0.041 0.000 0.984 68 Q CA 2.370 58.144 55.803 -0.049 0.000 0.846 68 Q CB -0.281 28.458 28.738 0.002 0.000 0.902 68 Q HN 0.689 nan 8.270 nan 0.000 0.421 69 E N -0.417 119.769 120.200 -0.023 0.000 2.110 69 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 69 E C 2.154 178.742 176.600 -0.020 0.000 0.988 69 E CA 1.335 57.728 56.400 -0.012 0.000 0.804 69 E CB -0.074 29.630 29.700 0.006 0.000 0.745 69 E HN 0.525 nan 8.360 nan 0.000 0.458 70 Q N 0.154 119.932 119.800 -0.036 0.000 2.187 70 Q HA -0.033 4.307 4.340 -0.000 0.000 0.199 70 Q C 2.230 178.203 176.000 -0.046 0.000 0.957 70 Q CA 0.676 56.462 55.803 -0.029 0.000 0.857 70 Q CB 0.105 28.830 28.738 -0.022 0.000 0.929 70 Q HN 0.303 nan 8.270 nan 0.000 0.453 71 L N 0.062 121.238 121.223 -0.079 0.000 2.156 71 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 71 L C 2.452 179.294 176.870 -0.048 0.000 1.095 71 L CA 0.612 55.407 54.840 -0.075 0.000 0.770 71 L CB -0.531 41.468 42.059 -0.101 0.000 0.914 71 L HN 0.199 nan 8.230 nan 0.000 0.439 72 A N -0.397 122.399 122.820 -0.039 0.000 1.940 72 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 72 A C 2.261 179.830 177.584 -0.025 0.000 1.176 72 A CA 1.372 53.391 52.037 -0.029 0.000 0.631 72 A CB -0.313 18.674 19.000 -0.021 0.000 0.814 72 A HN 0.375 nan 8.150 nan 0.000 0.446 73 Q N -0.341 119.447 119.800 -0.019 0.000 2.119 73 Q HA -0.077 4.263 4.340 -0.000 0.000 0.201 73 Q C 2.352 178.342 176.000 -0.017 0.000 0.972 73 Q CA 1.474 57.267 55.803 -0.017 0.000 0.847 73 Q CB -0.857 27.879 28.738 -0.003 0.000 0.903 73 Q HN 0.501 nan 8.270 nan 0.000 0.433 74 V N 1.448 121.366 119.914 0.007 0.000 2.287 74 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 74 V C 2.421 178.556 176.094 0.067 0.000 1.053 74 V CA 1.890 64.226 62.300 0.060 0.000 1.027 74 V CB -1.205 30.636 31.823 0.030 0.000 0.646 74 V HN 0.331 nan 8.190 nan 0.000 0.447 75 A N -0.327 122.502 122.820 0.014 0.000 1.940 75 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 75 A C 2.165 179.748 177.584 -0.002 0.000 1.176 75 A CA 1.935 53.977 52.037 0.008 0.000 0.631 75 A CB -0.431 18.549 19.000 -0.033 0.000 0.814 75 A HN 0.586 nan 8.150 nan 0.000 0.446 76 K N -1.472 118.900 120.400 -0.047 0.000 2.487 76 K HA 0.240 4.560 4.320 -0.000 0.000 0.192 76 K C 0.930 177.423 176.600 -0.178 0.000 1.027 76 K CA 0.442 56.684 56.287 -0.074 0.000 1.054 76 K CB -0.045 32.422 32.500 -0.054 0.000 0.824 76 K HN 0.675 nan 8.250 nan 0.000 0.510 77 G N 1.842 110.410 108.800 -0.388 0.000 2.132 77 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.234 77 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.234 77 G C 0.235 174.825 174.900 -0.517 0.000 0.989 77 G CA 0.151 44.700 45.100 -0.919 0.000 0.676 77 G HN 0.465 nan 8.290 nan 0.000 0.522 78 E N -0.444 119.610 120.200 -0.244 0.000 2.538 78 E HA 0.580 4.930 4.350 -0.000 0.000 0.207 78 E C 0.810 177.412 176.600 0.004 0.000 1.002 78 E CA 0.542 56.890 56.400 -0.086 0.000 0.952 78 E CB 0.842 30.510 29.700 -0.055 0.000 1.031 78 E HN 0.953 nan 8.360 nan 0.000 0.476 79 A N 0.657 123.513 122.820 0.060 0.000 2.581 79 A HA 0.663 4.983 4.320 -0.000 0.000 0.290 79 A C -2.077 175.708 177.584 0.335 0.000 1.119 79 A CA -0.652 51.483 52.037 0.163 0.000 0.670 79 A CB 1.130 20.192 19.000 0.103 0.000 1.280 79 A HN 0.111 nan 8.150 nan 0.000 0.425 80 F N -0.044 119.985 119.950 0.132 0.000 2.551 80 F HA 0.686 5.213 4.527 -0.000 0.000 0.316 80 F C -1.097 174.743 175.800 0.066 0.000 1.089 80 F CA -1.023 57.053 58.000 0.126 0.000 0.915 80 F CB 1.950 41.021 39.000 0.118 0.000 1.186 80 F HN 0.554 nan 8.300 nan 0.000 0.456 81 L N 6.995 127.897 121.223 -0.536 0.000 2.264 81 L HA 0.568 4.908 4.340 -0.000 0.000 0.289 81 L C -1.672 174.951 176.870 -0.412 0.000 1.044 81 L CA -0.562 54.058 54.840 -0.367 0.000 0.807 81 L CB 1.042 42.910 42.059 -0.318 0.000 1.192 81 L HN 0.626 nan 8.230 nan 0.000 0.425 82 L N 5.227 126.374 121.223 -0.127 0.000 2.280 82 L HA 0.550 4.890 4.340 -0.000 0.000 0.287 82 L C -0.685 176.122 176.870 -0.105 0.000 1.023 82 L CA 0.185 54.990 54.840 -0.059 0.000 0.819 82 L CB 1.242 43.344 42.059 0.071 0.000 1.212 82 L HN 0.827 nan 8.230 nan 0.000 0.420 83 Q N 3.489 123.174 119.800 -0.191 0.000 2.330 83 Q HA 0.803 5.143 4.340 -0.000 0.000 0.269 83 Q C -0.911 174.947 176.000 -0.238 0.000 1.022 83 Q CA -0.537 55.089 55.803 -0.295 0.000 0.796 83 Q CB 1.941 30.310 28.738 -0.615 0.000 1.271 83 Q HN 0.938 nan 8.270 nan 0.000 0.450 84 G N 0.867 109.592 108.800 -0.125 0.000 2.547 84 G HA2 0.708 4.668 3.960 -0.000 0.000 0.291 84 G HA3 0.708 4.668 3.960 -0.000 0.000 0.291 84 G C -0.881 174.031 174.900 0.020 0.000 1.471 84 G CA -0.004 45.083 45.100 -0.021 0.000 0.798 84 G HN 1.003 nan 8.290 nan 0.000 0.504 85 G N -0.532 108.295 108.800 0.045 0.000 2.339 85 G HA2 0.382 4.342 3.960 -0.000 0.000 0.275 85 G HA3 0.382 4.342 3.960 -0.000 0.000 0.275 85 G C -1.642 173.301 174.900 0.071 0.000 1.323 85 G CA -0.522 44.602 45.100 0.041 0.000 0.927 85 G HN 0.723 nan 8.290 nan 0.000 0.486 86 D N -0.041 120.405 120.400 0.076 0.000 2.493 86 D HA 0.191 4.831 4.640 -0.000 0.000 0.240 86 D C 1.680 178.049 176.300 0.116 0.000 1.142 86 D CA 0.459 54.521 54.000 0.103 0.000 0.872 86 D CB 1.402 42.284 40.800 0.137 0.000 1.173 86 D HN 0.707 nan 8.370 nan 0.000 0.467 87 C N 2.962 122.325 119.300 0.105 0.000 2.398 87 C HA 0.027 4.487 4.460 -0.000 0.000 0.276 87 C C 0.881 175.941 174.990 0.117 0.000 1.222 87 C CA 1.211 60.299 59.018 0.118 0.000 1.746 87 C CB -0.723 27.066 27.740 0.081 0.000 2.039 87 C HN 0.650 nan 8.230 nan 0.000 0.470 88 A N 0.204 123.070 122.820 0.078 0.000 2.408 88 A HA 0.623 4.943 4.320 -0.000 0.000 0.295 88 A C -0.807 176.783 177.584 0.011 0.000 1.040 88 A CA -0.444 51.617 52.037 0.039 0.000 0.707 88 A CB 0.667 19.700 19.000 0.056 0.000 1.235 88 A HN 0.631 nan 8.150 nan 0.000 0.418 89 E N 1.187 121.342 120.200 -0.075 0.000 2.354 89 E HA 0.445 4.795 4.350 -0.000 0.000 0.269 89 E C 0.222 176.867 176.600 0.075 0.000 1.036 89 E CA 0.033 56.390 56.400 -0.072 0.000 0.876 89 E CB 1.090 30.553 29.700 -0.395 0.000 1.009 89 E HN 0.715 nan 8.360 nan 0.000 0.416 90 T N -1.132 113.488 114.554 0.109 0.000 2.908 90 T HA 0.290 4.640 4.350 -0.000 0.000 0.290 90 T C 0.543 175.366 174.700 0.204 0.000 1.034 90 T CA -0.795 61.343 62.100 0.063 0.000 1.010 90 T CB 0.531 69.356 68.868 -0.071 0.000 1.068 90 T HN 0.197 nan 8.240 nan 0.000 0.481 91 F N 0.869 120.868 119.950 0.082 0.000 2.161 91 F HA 0.024 4.551 4.527 -0.000 0.000 0.300 91 F C 2.498 178.290 175.800 -0.014 0.000 1.089 91 F CA 0.874 58.867 58.000 -0.012 0.000 1.282 91 F CB -0.944 37.997 39.000 -0.098 0.000 1.010 91 F HN 0.618 nan 8.300 nan 0.000 0.485 92 M N -0.107 119.570 119.600 0.128 0.000 2.213 92 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 92 M C 0.586 176.876 176.300 -0.018 0.000 1.062 92 M CA 1.882 57.202 55.300 0.034 0.000 1.105 92 M CB -0.201 32.385 32.600 -0.023 0.000 1.385 92 M HN -0.064 nan 8.290 nan 0.000 0.417 93 D N 0.237 120.595 120.400 -0.070 0.000 2.368 93 D HA 0.054 4.694 4.640 -0.000 0.000 0.218 93 D C -0.189 176.042 176.300 -0.114 0.000 1.112 93 D CA 0.136 54.017 54.000 -0.200 0.000 0.834 93 D CB -0.439 40.074 40.800 -0.478 0.000 0.953 93 D HN 0.317 nan 8.370 nan 0.000 0.505 94 N N 1.565 120.300 118.700 0.058 0.000 3.124 94 N HA 0.007 4.747 4.740 -0.000 0.000 0.284 94 N C -0.665 174.909 175.510 0.107 0.000 1.209 94 N CA 0.038 53.178 53.050 0.149 0.000 1.149 94 N CB -0.058 38.570 38.487 0.235 0.000 1.434 94 N HN -0.038 nan 8.380 nan 0.000 0.529 95 T N -2.546 112.073 114.554 0.109 0.000 2.926 95 T HA 0.291 4.641 4.350 -0.000 0.000 0.289 95 T C 0.925 175.676 174.700 0.084 0.000 1.054 95 T CA -0.744 61.402 62.100 0.077 0.000 1.015 95 T CB 1.699 70.601 68.868 0.056 0.000 1.167 95 T HN 0.087 nan 8.240 nan 0.000 0.526 96 E N 0.640 120.870 120.200 0.050 0.000 2.038 96 E HA -0.086 4.263 4.350 -0.000 0.000 0.195 96 E C -0.842 175.775 176.600 0.028 0.000 1.000 96 E CA 1.829 58.249 56.400 0.033 0.000 0.803 96 E CB -1.438 28.274 29.700 0.020 0.000 0.750 96 E HN 0.501 nan 8.360 nan 0.000 0.448 97 P HA -0.118 nan 4.420 nan 0.000 0.216 97 P C 1.217 178.533 177.300 0.028 0.000 1.150 97 P CA 1.643 64.753 63.100 0.017 0.000 0.837 97 P CB -0.260 31.453 31.700 0.022 0.000 0.786 98 H N -0.541 118.516 119.070 -0.021 0.000 2.357 98 H HA -0.000 4.556 4.556 -0.000 0.000 0.301 98 H C 1.856 177.171 175.328 -0.021 0.000 1.082 98 H CA 1.394 57.430 56.048 -0.020 0.000 1.342 98 H CB -0.841 28.918 29.762 -0.005 0.000 1.389 98 H HN -0.029 nan 8.280 nan 0.000 0.511 99 I N -0.122 120.441 120.570 -0.011 0.000 2.202 99 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 99 I C 2.740 178.797 176.117 -0.099 0.000 1.091 99 I CA 1.339 62.603 61.300 -0.060 0.000 1.368 99 I CB -0.300 37.715 38.000 0.024 0.000 1.058 99 I HN 0.231 nan 8.210 nan 0.000 0.410 100 R N 1.097 121.551 120.500 -0.077 0.000 2.091 100 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 100 R C 2.324 178.523 176.300 -0.169 0.000 1.136 100 R CA 1.754 57.794 56.100 -0.100 0.000 0.959 100 R CB -0.597 29.655 30.300 -0.079 0.000 0.856 100 R HN 0.422 nan 8.270 nan 0.000 0.437 101 G N 0.595 109.283 108.800 -0.186 0.000 2.440 101 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.218 101 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.218 101 G C 1.158 175.921 174.900 -0.227 0.000 1.154 101 G CA 0.878 45.843 45.100 -0.224 0.000 0.767 101 G HN 0.333 nan 8.290 nan 0.000 0.552 102 N N 0.312 118.863 118.700 -0.248 0.000 2.188 102 N HA -0.081 4.659 4.740 -0.000 0.000 0.184 102 N C 2.352 177.788 175.510 -0.123 0.000 1.018 102 N CA 1.018 53.952 53.050 -0.193 0.000 0.858 102 N CB -0.469 37.887 38.487 -0.219 0.000 0.989 102 N HN 0.198 nan 8.380 nan 0.000 0.426 103 V N 1.584 121.432 119.914 -0.109 0.000 2.295 103 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 103 V C 2.593 178.647 176.094 -0.068 0.000 1.049 103 V CA 1.526 63.787 62.300 -0.064 0.000 1.024 103 V CB -0.452 31.345 31.823 -0.044 0.000 0.648 103 V HN 0.297 nan 8.190 nan 0.000 0.447 104 R N 0.268 120.683 120.500 -0.143 0.000 2.080 104 R HA -0.218 4.122 4.340 -0.000 0.000 0.236 104 R C 2.332 178.562 176.300 -0.115 0.000 1.137 104 R CA 1.986 57.960 56.100 -0.210 0.000 0.943 104 R CB -0.582 29.399 30.300 -0.532 0.000 0.846 104 R HN 0.470 nan 8.270 nan 0.000 0.431 105 A N 1.061 123.797 122.820 -0.140 0.000 1.883 105 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 105 A C 2.090 179.645 177.584 -0.048 0.000 1.186 105 A CA 1.460 53.438 52.037 -0.098 0.000 0.624 105 A CB -0.721 18.213 19.000 -0.110 0.000 0.822 105 A HN 0.390 nan 8.150 nan 0.000 0.444 106 L N -0.341 120.860 121.223 -0.037 0.000 2.042 106 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 106 L C 2.414 179.295 176.870 0.019 0.000 1.076 106 L CA 1.667 56.502 54.840 -0.008 0.000 0.749 106 L CB -0.464 41.592 42.059 -0.005 0.000 0.893 106 L HN 0.434 nan 8.230 nan 0.000 0.432 107 L N -1.504 119.743 121.223 0.040 0.000 2.093 107 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 107 L C 2.575 179.502 176.870 0.094 0.000 1.085 107 L CA 1.114 56.001 54.840 0.079 0.000 0.755 107 L CB -0.519 41.616 42.059 0.126 0.000 0.904 107 L HN 0.385 nan 8.230 nan 0.000 0.435 108 Q N -0.466 119.394 119.800 0.101 0.000 2.050 108 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 108 Q C 2.348 178.347 176.000 -0.001 0.000 0.980 108 Q CA 1.611 57.471 55.803 0.095 0.000 0.840 108 Q CB -0.147 28.640 28.738 0.082 0.000 0.898 108 Q HN 0.508 nan 8.270 nan 0.000 0.424 109 M N -0.067 119.514 119.600 -0.032 0.000 2.108 109 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 109 M C 2.338 178.618 176.300 -0.033 0.000 1.066 109 M CA 1.576 56.837 55.300 -0.064 0.000 1.107 109 M CB -0.329 32.249 32.600 -0.035 0.000 1.356 109 M HN 0.233 nan 8.290 nan 0.000 0.406 110 A N -0.628 122.202 122.820 0.016 0.000 1.930 110 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 110 A C 2.280 179.883 177.584 0.033 0.000 1.175 110 A CA 1.638 53.702 52.037 0.046 0.000 0.627 110 A CB -0.969 18.068 19.000 0.062 0.000 0.815 110 A HN 0.354 nan 8.150 nan 0.000 0.443 111 V N -0.392 119.536 119.914 0.024 0.000 2.379 111 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 111 V C 2.371 178.452 176.094 -0.022 0.000 1.044 111 V CA 2.235 64.546 62.300 0.019 0.000 1.036 111 V CB -0.303 31.543 31.823 0.038 0.000 0.664 111 V HN 0.308 nan 8.190 nan 0.000 0.453 112 V N 0.190 120.045 119.914 -0.098 0.000 2.343 112 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 112 V C 2.430 178.458 176.094 -0.109 0.000 1.051 112 V CA 2.451 64.624 62.300 -0.212 0.000 1.036 112 V CB -0.561 30.910 31.823 -0.587 0.000 0.654 112 V HN 0.505 nan 8.190 nan 0.000 0.451 113 L N -0.477 120.692 121.223 -0.091 0.000 2.093 113 L HA -0.139 4.200 4.340 -0.000 0.000 0.208 113 L C 2.632 179.469 176.870 -0.054 0.000 1.085 113 L CA 1.760 56.547 54.840 -0.088 0.000 0.755 113 L CB -0.911 41.133 42.059 -0.026 0.000 0.904 113 L HN 0.360 nan 8.230 nan 0.000 0.435 114 T N -1.233 113.331 114.554 0.015 0.000 2.720 114 T HA -0.280 4.070 4.350 -0.000 0.000 0.268 114 T C 1.690 176.406 174.700 0.026 0.000 1.037 114 T CA 1.590 63.712 62.100 0.037 0.000 1.144 114 T CB -0.424 68.481 68.868 0.063 0.000 0.864 114 T HN 0.307 nan 8.240 nan 0.000 0.444 115 Y N 1.683 121.946 120.300 -0.061 0.000 2.145 115 Y HA -0.050 4.500 4.550 -0.000 0.000 0.286 115 Y C 2.581 178.449 175.900 -0.053 0.000 1.145 115 Y CA 1.411 59.477 58.100 -0.056 0.000 1.148 115 Y CB -0.685 37.730 38.460 -0.075 0.000 0.981 115 Y HN 0.205 nan 8.280 nan 0.000 0.507 116 G N -0.544 108.245 108.800 -0.018 0.000 2.402 116 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 116 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 116 G C 1.757 176.571 174.900 -0.143 0.000 1.162 116 G CA 0.783 45.831 45.100 -0.087 0.000 0.777 116 G HN 0.561 nan 8.290 nan 0.000 0.539 117 A N -0.185 122.549 122.820 -0.142 0.000 1.969 117 A HA 0.273 4.593 4.320 -0.000 0.000 0.218 117 A C 1.836 179.379 177.584 -0.068 0.000 1.169 117 A CA 1.589 53.560 52.037 -0.110 0.000 0.635 117 A CB -0.320 18.614 19.000 -0.110 0.000 0.810 117 A HN 0.816 nan 8.150 nan 0.000 0.445 118 S N -1.508 114.128 115.700 -0.106 0.000 3.641 118 S HA -0.175 4.295 4.470 -0.000 0.000 0.346 118 S C -0.059 174.525 174.600 -0.026 0.000 1.074 118 S CA 1.349 59.491 58.200 -0.095 0.000 1.026 118 S CB -2.164 60.970 63.200 -0.111 0.000 0.908 118 S HN 1.277 nan 8.310 nan 0.000 0.479 119 M N -3.267 116.338 119.600 0.008 0.000 2.732 119 M HA 0.676 5.156 4.480 -0.000 0.000 0.272 119 M C -3.433 172.910 176.300 0.073 0.000 1.203 119 M CA -2.270 53.057 55.300 0.045 0.000 0.841 119 M CB 1.079 33.721 32.600 0.069 0.000 1.685 119 M HN -0.218 nan 8.290 nan 0.000 0.492 120 P HA 0.256 nan 4.420 nan 0.000 0.267 120 P C -1.087 176.295 177.300 0.136 0.000 1.200 120 P CA -0.342 62.812 63.100 0.090 0.000 0.772 120 P CB 0.606 32.350 31.700 0.074 0.000 0.855 121 V N 3.693 123.689 119.914 0.137 0.000 2.409 121 V HA 0.169 4.289 4.120 -0.000 0.000 0.291 121 V C 0.108 176.280 176.094 0.129 0.000 1.020 121 V CA -0.727 61.678 62.300 0.175 0.000 0.848 121 V CB 1.939 33.877 31.823 0.192 0.000 0.990 121 V HN 0.228 nan 8.190 nan 0.000 0.430 122 V N 5.867 125.846 119.914 0.107 0.000 2.488 122 V HA 0.280 4.400 4.120 -0.000 0.000 0.277 122 V C 0.292 176.444 176.094 0.096 0.000 1.046 122 V CA -0.508 61.852 62.300 0.100 0.000 0.986 122 V CB 0.954 32.794 31.823 0.029 0.000 0.989 122 V HN 0.787 nan 8.190 nan 0.000 0.475 123 K N 4.215 124.705 120.400 0.149 0.000 2.293 123 K HA 0.624 4.944 4.320 -0.000 0.000 0.267 123 K C -1.198 175.500 176.600 0.163 0.000 1.010 123 K CA -0.473 55.879 56.287 0.109 0.000 0.875 123 K CB 1.854 34.398 32.500 0.074 0.000 1.106 123 K HN 0.461 nan 8.250 nan 0.000 0.450 124 V N 2.693 122.660 119.914 0.089 0.000 2.376 124 V HA 0.373 4.493 4.120 -0.000 0.000 0.287 124 V C -0.087 176.042 176.094 0.058 0.000 1.015 124 V CA -1.032 61.334 62.300 0.110 0.000 0.834 124 V CB 1.335 33.181 31.823 0.039 0.000 1.001 124 V HN 0.879 nan 8.190 nan 0.000 0.428 125 A N 5.199 128.080 122.820 0.101 0.000 2.354 125 A HA 0.594 4.914 4.320 -0.000 0.000 0.269 125 A C 0.426 178.090 177.584 0.133 0.000 1.109 125 A CA -0.484 51.603 52.037 0.083 0.000 0.800 125 A CB 0.260 19.306 19.000 0.076 0.000 1.045 125 A HN 0.841 nan 8.150 nan 0.000 0.489 126 R N 1.253 121.833 120.500 0.134 0.000 2.429 126 R HA 0.525 4.865 4.340 -0.000 0.000 0.302 126 R C -0.746 175.632 176.300 0.130 0.000 1.268 126 R CA 0.378 56.611 56.100 0.221 0.000 1.090 126 R CB -0.188 30.277 30.300 0.276 0.000 1.102 126 R HN 0.688 nan 8.270 nan 0.000 0.522 127 I N -0.460 120.181 120.570 0.118 0.000 3.021 127 I HA 0.288 4.458 4.170 -0.000 0.000 0.305 127 I C -0.764 175.383 176.117 0.051 0.000 1.434 127 I CA -0.471 60.859 61.300 0.050 0.000 0.969 127 I CB 1.901 39.938 38.000 0.061 0.000 1.328 127 I HN 0.634 nan 8.210 nan 0.000 0.486 128 A N 3.555 126.379 122.820 0.006 0.000 2.791 128 A HA 0.043 4.363 4.320 -0.000 0.000 0.292 128 A C 0.814 178.420 177.584 0.036 0.000 1.487 128 A CA 1.458 53.532 52.037 0.062 0.000 0.760 128 A CB -2.238 16.821 19.000 0.099 0.000 1.031 128 A HN 2.146 nan 8.150 nan 0.000 0.503 129 G N -2.243 106.428 108.800 -0.216 0.000 4.106 129 G HA2 0.236 4.196 3.960 -0.000 0.000 0.220 129 G HA3 0.236 4.196 3.960 -0.000 0.000 0.220 129 G C 0.060 174.576 174.900 -0.640 0.000 0.853 129 G CA 0.670 45.517 45.100 -0.422 0.000 0.920 129 G HN 1.212 nan 8.290 nan 0.000 0.715 130 Q N 1.009 120.472 119.800 -0.561 0.000 3.184 130 Q HA 0.504 4.844 4.340 -0.000 0.000 0.288 130 Q C -0.131 175.628 176.000 -0.401 0.000 1.412 130 Q CA -0.305 55.305 55.803 -0.322 0.000 0.991 130 Q CB -0.871 27.809 28.738 -0.096 0.000 1.688 130 Q HN 0.625 nan 8.270 nan 0.000 0.554 131 Y N -0.399 119.795 120.300 -0.176 0.000 2.612 131 Y HA 0.600 5.150 4.550 -0.000 0.000 0.250 131 Y C 0.200 175.954 175.900 -0.243 0.000 1.175 131 Y CA -0.419 57.554 58.100 -0.212 0.000 1.205 131 Y CB 1.102 39.441 38.460 -0.201 0.000 1.201 131 Y HN 0.393 nan 8.280 nan 0.000 0.532 132 A N 1.488 124.251 122.820 -0.096 0.000 2.488 132 A HA 0.734 5.054 4.320 -0.000 0.000 0.298 132 A C -1.207 176.293 177.584 -0.139 0.000 1.044 132 A CA -0.844 51.105 52.037 -0.147 0.000 0.693 132 A CB 1.493 20.416 19.000 -0.127 0.000 1.272 132 A HN 0.215 nan 8.150 nan 0.000 0.402 133 K N 1.809 122.107 120.400 -0.170 0.000 2.482 133 K HA 0.806 5.126 4.320 -0.000 0.000 0.257 133 K C -3.189 173.336 176.600 -0.125 0.000 0.969 133 K CA -1.881 54.335 56.287 -0.119 0.000 0.842 133 K CB 2.752 35.199 32.500 -0.088 0.000 1.359 133 K HN 0.392 nan 8.250 nan 0.000 0.441 134 P HA 0.297 nan 4.420 nan 0.000 0.276 134 P C -1.011 176.258 177.300 -0.052 0.000 1.261 134 P CA -0.648 62.406 63.100 -0.078 0.000 0.800 134 P CB 0.719 32.376 31.700 -0.071 0.000 1.066 135 R N -0.167 120.309 120.500 -0.039 0.000 2.725 135 R HA 0.259 4.599 4.340 -0.000 0.000 0.277 135 R C 1.306 177.602 176.300 -0.008 0.000 0.987 135 R CA -0.543 55.548 56.100 -0.016 0.000 0.901 135 R CB 1.452 31.744 30.300 -0.013 0.000 1.207 135 R HN 0.600 nan 8.270 nan 0.000 0.463 136 S N 0.184 115.887 115.700 0.004 0.000 2.387 136 S HA 0.077 4.547 4.470 -0.000 0.000 0.226 136 S C 0.827 175.429 174.600 0.003 0.000 1.026 136 S CA 0.692 58.895 58.200 0.005 0.000 0.972 136 S CB 0.219 63.426 63.200 0.012 0.000 0.814 136 S HN 0.659 nan 8.310 nan 0.000 0.477 137 A N 0.498 123.321 122.820 0.005 0.000 2.401 137 A HA 0.658 4.978 4.320 -0.000 0.000 0.310 137 A C -0.046 177.541 177.584 0.005 0.000 1.075 137 A CA -0.445 51.594 52.037 0.004 0.000 0.746 137 A CB 1.360 20.363 19.000 0.005 0.000 1.277 137 A HN 0.112 nan 8.150 nan 0.000 0.425 138 D N 0.555 120.956 120.400 0.001 0.000 2.355 138 D HA 0.118 4.758 4.640 -0.000 0.000 0.218 138 D C 0.052 176.355 176.300 0.005 0.000 1.004 138 D CA 0.871 54.873 54.000 0.003 0.000 0.880 138 D CB -0.048 40.746 40.800 -0.010 0.000 0.911 138 D HN 0.507 nan 8.370 nan 0.000 0.528 139 I N 1.551 122.122 120.570 0.002 0.000 2.382 139 I HA 0.215 4.385 4.170 -0.000 0.000 0.286 139 I C -0.154 175.964 176.117 0.001 0.000 1.002 139 I CA -1.121 60.179 61.300 -0.000 0.000 1.135 139 I CB 1.598 39.595 38.000 -0.005 0.000 1.288 139 I HN -0.100 nan 8.210 nan 0.000 0.448 140 D N 5.539 125.939 120.400 -0.000 0.000 2.478 140 D HA 0.256 4.896 4.640 -0.000 0.000 0.269 140 D C 1.081 177.375 176.300 -0.011 0.000 1.232 140 D CA -0.568 53.430 54.000 -0.003 0.000 1.059 140 D CB 0.922 41.719 40.800 -0.005 0.000 1.104 140 D HN 0.480 nan 8.370 nan 0.000 0.566 141 A N -0.783 122.029 122.820 -0.013 0.000 2.121 141 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 141 A C 2.035 179.606 177.584 -0.022 0.000 1.154 141 A CA 0.604 52.632 52.037 -0.014 0.000 0.679 141 A CB -0.771 18.223 19.000 -0.011 0.000 0.795 141 A HN 0.525 nan 8.150 nan 0.000 0.458 142 L N -1.378 119.826 121.223 -0.033 0.000 2.611 142 L HA 0.245 4.585 4.340 -0.000 0.000 0.229 142 L C 1.534 178.386 176.870 -0.030 0.000 1.137 142 L CA 0.449 55.266 54.840 -0.037 0.000 0.901 142 L CB -0.173 41.850 42.059 -0.059 0.000 1.098 142 L HN 0.510 nan 8.230 nan 0.000 0.456 143 G N 0.717 109.504 108.800 -0.023 0.000 2.143 143 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 143 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 143 G C 0.038 174.928 174.900 -0.018 0.000 0.991 143 G CA 0.005 45.094 45.100 -0.018 0.000 0.689 143 G HN 0.246 nan 8.290 nan 0.000 0.522 144 L N -0.392 120.818 121.223 -0.021 0.000 2.334 144 L HA 0.589 4.929 4.340 -0.000 0.000 0.270 144 L C 1.343 178.211 176.870 -0.004 0.000 1.018 144 L CA -1.318 53.512 54.840 -0.017 0.000 0.811 144 L CB 0.956 42.996 42.059 -0.032 0.000 1.271 144 L HN 0.050 nan 8.230 nan 0.000 0.443 145 R N 0.691 121.195 120.500 0.007 0.000 2.585 145 R HA 0.068 4.408 4.340 -0.000 0.000 0.275 145 R C -0.230 176.101 176.300 0.051 0.000 1.018 145 R CA -0.152 55.963 56.100 0.026 0.000 1.072 145 R CB 0.270 30.590 30.300 0.034 0.000 0.953 145 R HN 0.562 nan 8.270 nan 0.000 0.419 146 S N 2.511 118.246 115.700 0.059 0.000 2.560 146 S HA -0.064 4.406 4.470 -0.000 0.000 0.284 146 S C -0.286 174.384 174.600 0.116 0.000 1.327 146 S CA -0.375 57.867 58.200 0.071 0.000 1.055 146 S CB 0.275 63.503 63.200 0.045 0.000 0.868 146 S HN 0.453 nan 8.310 nan 0.000 0.506 147 Y N 2.758 123.048 120.300 -0.017 0.000 2.465 147 Y HA 0.129 4.679 4.550 -0.000 0.000 0.331 147 Y C 1.110 177.005 175.900 -0.009 0.000 1.102 147 Y CA 0.074 58.169 58.100 -0.009 0.000 1.358 147 Y CB 0.246 38.708 38.460 0.003 0.000 1.213 147 Y HN 0.621 nan 8.280 nan 0.000 0.525 148 R N 4.261 124.464 120.500 -0.495 0.000 2.577 148 R HA 0.302 4.642 4.340 -0.000 0.000 0.344 148 R C -0.059 175.857 176.300 -0.640 0.000 1.037 148 R CA 0.238 56.048 56.100 -0.482 0.000 1.102 148 R CB 0.626 30.719 30.300 -0.345 0.000 1.313 148 R HN 0.996 nan 8.270 nan 0.000 0.561 149 G N 0.796 108.855 108.800 -1.234 0.000 2.663 149 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.686 149 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.686 149 G C -0.404 174.277 174.900 -0.365 0.000 1.246 149 G CA -0.684 43.952 45.100 -0.775 0.000 0.795 149 G HN 0.122 nan 8.290 nan 0.000 0.627 150 D N 0.060 120.313 120.400 -0.245 0.000 2.310 150 D HA -0.068 4.572 4.640 -0.000 0.000 0.212 150 D C 2.413 178.520 176.300 -0.321 0.000 0.965 150 D CA 1.261 54.991 54.000 -0.451 0.000 0.879 150 D CB -0.009 39.989 40.800 -1.336 0.000 0.921 150 D HN 0.488 nan 8.370 nan 0.000 0.510 151 M N -0.453 119.051 119.600 -0.161 0.000 2.460 151 M HA -0.043 4.437 4.480 -0.000 0.000 0.263 151 M C 1.144 177.527 176.300 0.137 0.000 1.071 151 M CA 1.137 56.453 55.300 0.026 0.000 1.096 151 M CB 0.276 32.853 32.600 -0.038 0.000 1.408 151 M HN -0.026 nan 8.290 nan 0.000 0.463 152 I N -0.724 119.852 120.570 0.011 0.000 3.518 152 I HA 0.090 4.260 4.170 -0.000 0.000 0.260 152 I C 0.244 176.355 176.117 -0.010 0.000 1.148 152 I CA -0.133 61.135 61.300 -0.053 0.000 1.440 152 I CB 0.198 37.949 38.000 -0.416 0.000 1.485 152 I HN 0.311 nan 8.210 nan 0.000 0.456 153 N N 0.593 119.281 118.700 -0.021 0.000 3.204 153 N HA 0.313 5.053 4.740 -0.000 0.000 0.285 153 N C -0.560 175.090 175.510 0.233 0.000 1.536 153 N CA -0.476 52.643 53.050 0.115 0.000 0.832 153 N CB 0.589 39.147 38.487 0.119 0.000 1.645 153 N HN -0.025 nan 8.380 nan 0.000 0.586 154 G N -1.061 107.873 108.800 0.224 0.000 2.377 154 G HA2 0.370 4.330 3.960 -0.000 0.000 0.299 154 G HA3 0.370 4.330 3.960 -0.000 0.000 0.299 154 G C -0.238 174.707 174.900 0.076 0.000 1.150 154 G CA -0.730 44.480 45.100 0.184 0.000 0.847 154 G HN 0.505 nan 8.290 nan 0.000 0.501 155 F N 2.807 122.497 119.950 -0.432 0.000 2.269 155 F HA 0.177 4.704 4.527 -0.000 0.000 0.301 155 F C 1.957 177.543 175.800 -0.356 0.000 1.082 155 F CA 0.628 58.108 58.000 -0.866 0.000 1.360 155 F CB 0.087 38.526 39.000 -0.935 0.000 1.041 155 F HN 0.496 nan 8.300 nan 0.000 0.512 156 A N 2.200 124.942 122.820 -0.131 0.000 2.546 156 A HA 0.131 4.451 4.320 -0.000 0.000 0.243 156 A C -2.046 175.409 177.584 -0.215 0.000 1.063 156 A CA -0.785 51.178 52.037 -0.123 0.000 0.757 156 A CB -0.841 18.148 19.000 -0.018 0.000 0.991 156 A HN 0.233 nan 8.150 nan 0.000 0.503 157 P HA 0.181 nan 4.420 nan 0.000 0.230 157 P C -1.249 175.991 177.300 -0.100 0.000 1.791 157 P CA 0.243 63.227 63.100 -0.194 0.000 1.020 157 P CB -0.665 30.921 31.700 -0.190 0.000 1.977 158 D N -0.961 119.396 120.400 -0.072 0.000 2.661 158 D HA 0.453 5.093 4.640 -0.000 0.000 0.228 158 D C 0.939 177.230 176.300 -0.014 0.000 1.210 158 D CA -1.047 52.932 54.000 -0.035 0.000 0.826 158 D CB 0.699 41.486 40.800 -0.022 0.000 1.542 158 D HN -0.129 nan 8.370 nan 0.000 0.447 159 A N 1.425 124.242 122.820 -0.005 0.000 1.908 159 A HA 0.038 4.358 4.320 -0.000 0.000 0.218 159 A C 2.215 179.813 177.584 0.024 0.000 1.181 159 A CA 2.438 54.479 52.037 0.007 0.000 0.627 159 A CB -1.356 17.646 19.000 0.003 0.000 0.818 159 A HN 0.817 nan 8.150 nan 0.000 0.445 160 A N -0.211 122.623 122.820 0.023 0.000 1.877 160 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 160 A C 2.521 180.137 177.584 0.054 0.000 1.186 160 A CA 2.255 54.313 52.037 0.036 0.000 0.620 160 A CB -1.093 17.924 19.000 0.029 0.000 0.822 160 A HN 1.166 nan 8.150 nan 0.000 0.443 161 A N -0.928 121.919 122.820 0.046 0.000 1.972 161 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 161 A C 2.095 179.737 177.584 0.096 0.000 1.169 161 A CA 1.389 53.463 52.037 0.062 0.000 0.635 161 A CB -0.347 18.674 19.000 0.035 0.000 0.810 161 A HN 0.361 nan 8.150 nan 0.000 0.446 162 R N 0.369 120.921 120.500 0.088 0.000 2.275 162 R HA 0.102 4.442 4.340 -0.000 0.000 0.199 162 R C -0.191 176.223 176.300 0.190 0.000 0.989 162 R CA 0.102 56.278 56.100 0.127 0.000 1.016 162 R CB -0.238 30.111 30.300 0.082 0.000 0.918 162 R HN 0.485 nan 8.270 nan 0.000 0.473 163 E N 1.226 121.520 120.200 0.157 0.000 2.392 163 E HA 0.003 4.353 4.350 -0.000 0.000 0.264 163 E C -0.204 176.586 176.600 0.316 0.000 1.024 163 E CA 0.191 56.701 56.400 0.183 0.000 0.903 163 E CB 0.399 30.167 29.700 0.114 0.000 0.963 163 E HN 0.268 nan 8.360 nan 0.000 0.432 164 H N 1.881 121.024 119.070 0.122 0.000 2.878 164 H HA 0.045 4.601 4.556 -0.000 0.000 0.290 164 H C -0.325 175.254 175.328 0.418 0.000 1.065 164 H CA -0.226 55.947 56.048 0.210 0.000 1.477 164 H CB 0.669 30.456 29.762 0.042 0.000 1.484 164 H HN 0.208 nan 8.280 nan 0.000 0.504 165 D N 5.878 126.605 120.400 0.546 0.000 2.453 165 D HA 0.130 4.770 4.640 -0.000 0.000 0.238 165 D C -1.877 174.497 176.300 0.123 0.000 1.088 165 D CA -2.693 51.492 54.000 0.309 0.000 0.854 165 D CB 1.724 42.636 40.800 0.187 0.000 1.076 165 D HN 0.232 nan 8.370 nan 0.000 0.533 166 P HA -0.105 nan 4.420 nan 0.000 0.225 166 P C 1.210 178.208 177.300 -0.502 0.000 1.148 166 P CA 0.667 63.151 63.100 -1.027 0.000 0.779 166 P CB 0.074 31.155 31.700 -1.032 0.000 0.780 167 S N -0.164 115.403 115.700 -0.221 0.000 2.447 167 S HA -0.089 4.381 4.470 -0.000 0.000 0.233 167 S C 1.941 176.499 174.600 -0.070 0.000 1.006 167 S CA 0.422 58.548 58.200 -0.123 0.000 0.957 167 S CB -0.902 62.260 63.200 -0.064 0.000 0.773 167 S HN 0.095 nan 8.310 nan 0.000 0.507 168 R N 0.599 121.086 120.500 -0.021 0.000 2.241 168 R HA 0.169 4.509 4.340 -0.000 0.000 0.224 168 R C 1.979 178.316 176.300 0.063 0.000 1.101 168 R CA 0.996 57.146 56.100 0.084 0.000 0.995 168 R CB -0.604 29.815 30.300 0.199 0.000 0.870 168 R HN 0.447 nan 8.270 nan 0.000 0.463 169 L N -0.248 120.967 121.223 -0.013 0.000 2.046 169 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 169 L C 2.172 179.123 176.870 0.135 0.000 1.077 169 L CA 1.092 55.977 54.840 0.075 0.000 0.747 169 L CB -0.320 41.748 42.059 0.016 0.000 0.896 169 L HN 0.027 nan 8.230 nan 0.000 0.432 170 V N -0.659 119.279 119.914 0.041 0.000 2.488 170 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 170 V C 2.566 178.672 176.094 0.021 0.000 1.046 170 V CA 1.289 63.629 62.300 0.066 0.000 1.053 170 V CB -0.506 31.317 31.823 0.000 0.000 0.679 170 V HN 0.385 nan 8.190 nan 0.000 0.458 171 R N 0.237 120.676 120.500 -0.102 0.000 2.096 171 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 171 R C 2.286 178.236 176.300 -0.583 0.000 1.127 171 R CA 1.508 57.401 56.100 -0.344 0.000 0.968 171 R CB -0.334 29.750 30.300 -0.359 0.000 0.861 171 R HN 0.502 nan 8.270 nan 0.000 0.440 172 A N 0.078 122.725 122.820 -0.287 0.000 1.873 172 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 172 A C 1.966 179.521 177.584 -0.048 0.000 1.186 172 A CA 1.350 53.242 52.037 -0.243 0.000 0.616 172 A CB -0.926 17.986 19.000 -0.147 0.000 0.823 172 A HN 0.586 nan 8.150 nan 0.000 0.442 173 Y N 0.882 121.237 120.300 0.092 0.000 2.081 173 Y HA -0.189 4.361 4.550 -0.000 0.000 0.280 173 Y C 2.631 178.553 175.900 0.037 0.000 1.163 173 Y CA 1.607 59.813 58.100 0.177 0.000 1.135 173 Y CB -0.747 37.808 38.460 0.157 0.000 0.970 173 Y HN 0.304 nan 8.280 nan 0.000 0.498 174 A N 0.751 123.423 122.820 -0.248 0.000 1.908 174 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 174 A C 2.195 179.591 177.584 -0.312 0.000 1.181 174 A CA 2.064 53.903 52.037 -0.331 0.000 0.627 174 A CB -0.943 17.949 19.000 -0.180 0.000 0.818 174 A HN 0.698 nan 8.150 nan 0.000 0.445 175 N N -0.050 118.468 118.700 -0.303 0.000 2.188 175 N HA -0.091 4.649 4.740 -0.000 0.000 0.184 175 N C 2.014 177.531 175.510 0.012 0.000 1.018 175 N CA 1.284 54.232 53.050 -0.169 0.000 0.858 175 N CB -0.299 38.012 38.487 -0.294 0.000 0.989 175 N HN 0.487 nan 8.380 nan 0.000 0.426 176 A N 1.253 124.098 122.820 0.042 0.000 1.877 176 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 176 A C 2.455 180.017 177.584 -0.037 0.000 1.186 176 A CA 2.146 54.245 52.037 0.104 0.000 0.620 176 A CB -0.778 18.332 19.000 0.184 0.000 0.822 176 A HN 0.459 nan 8.150 nan 0.000 0.443 177 S N 0.088 115.645 115.700 -0.239 0.000 2.402 177 S HA 0.092 4.562 4.470 -0.000 0.000 0.229 177 S C 2.071 176.595 174.600 -0.127 0.000 1.021 177 S CA 1.244 59.305 58.200 -0.232 0.000 0.974 177 S CB -0.604 62.310 63.200 -0.476 0.000 0.800 177 S HN 0.857 nan 8.310 nan 0.000 0.484 178 A N 2.244 124.989 122.820 -0.125 0.000 1.898 178 A HA 0.360 4.680 4.320 -0.000 0.000 0.216 178 A C 2.556 180.133 177.584 -0.013 0.000 1.181 178 A CA 1.606 53.606 52.037 -0.061 0.000 0.620 178 A CB -1.506 17.456 19.000 -0.063 0.000 0.819 178 A HN 0.822 nan 8.150 nan 0.000 0.442 179 A N -0.847 121.982 122.820 0.015 0.000 1.883 179 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 179 A C 2.210 179.815 177.584 0.036 0.000 1.186 179 A CA 2.389 54.455 52.037 0.047 0.000 0.624 179 A CB -0.517 18.536 19.000 0.088 0.000 0.822 179 A HN 0.542 nan 8.150 nan 0.000 0.444 180 M N 0.148 119.767 119.600 0.031 0.000 2.132 180 M HA -0.109 4.371 4.480 -0.000 0.000 0.263 180 M C 1.753 178.070 176.300 0.028 0.000 1.065 180 M CA 2.074 57.398 55.300 0.039 0.000 1.122 180 M CB -0.704 31.920 32.600 0.041 0.000 1.365 180 M HN 0.530 nan 8.290 nan 0.000 0.411 181 N N -0.062 118.644 118.700 0.011 0.000 2.061 181 N HA -0.215 4.524 4.740 -0.000 0.000 0.193 181 N C 1.539 177.057 175.510 0.013 0.000 1.030 181 N CA 1.914 54.970 53.050 0.009 0.000 0.856 181 N CB -0.422 38.064 38.487 -0.003 0.000 1.023 181 N HN 0.400 nan 8.380 nan 0.000 0.424 182 L N -0.051 121.180 121.223 0.013 0.000 2.093 182 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 182 L C 2.070 178.949 176.870 0.015 0.000 1.085 182 L CA 1.196 56.044 54.840 0.014 0.000 0.755 182 L CB -0.625 41.444 42.059 0.017 0.000 0.904 182 L HN 0.079 nan 8.230 nan 0.000 0.435 183 V N 0.012 119.938 119.914 0.020 0.000 2.287 183 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 183 V C 2.718 178.819 176.094 0.011 0.000 1.053 183 V CA 2.222 64.532 62.300 0.017 0.000 1.027 183 V CB -0.696 31.145 31.823 0.030 0.000 0.646 183 V HN 0.465 nan 8.190 nan 0.000 0.447 184 R N 0.143 120.653 120.500 0.016 0.000 2.073 184 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 184 R C 2.473 178.777 176.300 0.007 0.000 1.134 184 R CA 1.521 57.626 56.100 0.009 0.000 0.952 184 R CB -0.700 29.610 30.300 0.018 0.000 0.850 184 R HN 0.535 nan 8.270 nan 0.000 0.433 185 A N 1.272 124.098 122.820 0.011 0.000 1.908 185 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 185 A C 2.194 179.787 177.584 0.014 0.000 1.181 185 A CA 1.294 53.338 52.037 0.012 0.000 0.627 185 A CB -0.562 18.445 19.000 0.012 0.000 0.818 185 A HN 0.184 nan 8.150 nan 0.000 0.445 186 L N -0.270 120.962 121.223 0.014 0.000 2.056 186 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 186 L C 2.895 179.779 176.870 0.023 0.000 1.078 186 L CA 1.745 56.597 54.840 0.020 0.000 0.749 186 L CB -0.835 41.233 42.059 0.014 0.000 0.901 186 L HN 0.633 nan 8.230 nan 0.000 0.433 187 T N -4.936 109.624 114.554 0.010 0.000 3.035 187 T HA -0.048 4.302 4.350 -0.000 0.000 0.268 187 T C 1.639 176.341 174.700 0.003 0.000 1.109 187 T CA 0.988 63.090 62.100 0.003 0.000 1.119 187 T CB -0.098 68.755 68.868 -0.023 0.000 0.900 187 T HN 0.123 nan 8.240 nan 0.000 0.503 188 S N 1.430 117.133 115.700 0.006 0.000 2.575 188 S HA 0.242 4.712 4.470 -0.000 0.000 0.215 188 S C 1.114 175.723 174.600 0.015 0.000 0.966 188 S CA -0.134 58.071 58.200 0.007 0.000 0.911 188 S CB -0.041 63.162 63.200 0.005 0.000 0.780 188 S HN 0.822 nan 8.310 nan 0.000 0.514 189 S N 0.340 116.054 115.700 0.023 0.000 2.738 189 S HA 0.603 5.073 4.470 -0.000 0.000 0.284 189 S C 1.409 176.028 174.600 0.031 0.000 1.146 189 S CA -0.209 58.008 58.200 0.028 0.000 0.997 189 S CB 0.881 64.102 63.200 0.035 0.000 1.081 189 S HN 0.159 nan 8.310 nan 0.000 0.553 190 G N -0.298 108.519 108.800 0.029 0.000 2.534 190 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.217 190 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.217 190 G C 1.181 176.086 174.900 0.008 0.000 1.128 190 G CA 0.556 45.666 45.100 0.016 0.000 0.784 190 G HN 0.766 nan 8.290 nan 0.000 0.542 191 L N 0.898 122.159 121.223 0.063 0.000 2.043 191 L HA -0.036 4.304 4.340 -0.000 0.000 0.212 191 L C 2.768 179.721 176.870 0.138 0.000 1.075 191 L CA 2.210 57.145 54.840 0.159 0.000 0.752 191 L CB -0.191 42.001 42.059 0.220 0.000 0.891 191 L HN 0.176 nan 8.230 nan 0.000 0.432 192 A N -0.936 121.938 122.820 0.091 0.000 2.239 192 A HA 0.024 4.344 4.320 -0.000 0.000 0.209 192 A C 1.404 179.004 177.584 0.027 0.000 1.171 192 A CA 0.666 52.749 52.037 0.078 0.000 0.768 192 A CB -0.698 18.335 19.000 0.055 0.000 0.790 192 A HN 0.481 nan 8.150 nan 0.000 0.478 193 S N -0.243 115.443 115.700 -0.023 0.000 2.546 193 S HA 0.197 4.667 4.470 -0.000 0.000 0.290 193 S C 1.343 175.898 174.600 -0.074 0.000 1.290 193 S CA -0.391 57.784 58.200 -0.041 0.000 1.069 193 S CB -0.017 63.133 63.200 -0.082 0.000 0.846 193 S HN 0.425 nan 8.310 nan 0.000 0.495 194 L N 4.421 125.654 121.223 0.017 0.000 2.043 194 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 194 L C 2.575 179.457 176.870 0.019 0.000 1.075 194 L CA 1.845 56.704 54.840 0.032 0.000 0.752 194 L CB -0.700 41.395 42.059 0.061 0.000 0.891 194 L HN 0.872 nan 8.230 nan 0.000 0.432 195 H N -0.825 118.215 119.070 -0.051 0.000 2.436 195 H HA -0.056 4.500 4.556 -0.000 0.000 0.294 195 H C 2.185 177.421 175.328 -0.154 0.000 1.048 195 H CA 0.785 56.799 56.048 -0.056 0.000 1.353 195 H CB -0.298 29.437 29.762 -0.044 0.000 1.414 195 H HN 0.255 nan 8.280 nan 0.000 0.536 196 L N 0.897 121.606 121.223 -0.857 0.000 2.056 196 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 196 L C 2.977 179.198 176.870 -1.081 0.000 1.078 196 L CA 0.862 55.165 54.840 -0.895 0.000 0.749 196 L CB -0.330 41.262 42.059 -0.777 0.000 0.901 196 L HN 0.067 nan 8.230 nan 0.000 0.433 197 V N -1.066 118.453 119.914 -0.659 0.000 2.343 197 V HA -0.349 3.771 4.120 -0.000 0.000 0.247 197 V C 2.433 178.469 176.094 -0.096 0.000 1.051 197 V CA 2.150 64.260 62.300 -0.316 0.000 1.036 197 V CB -0.690 31.183 31.823 0.083 0.000 0.654 197 V HN 0.536 nan 8.190 nan 0.000 0.451 198 H N 0.061 119.036 119.070 -0.158 0.000 2.462 198 H HA -0.084 4.472 4.556 -0.000 0.000 0.292 198 H C 1.958 177.258 175.328 -0.046 0.000 1.049 198 H CA 1.276 57.301 56.048 -0.037 0.000 1.334 198 H CB -0.129 29.625 29.762 -0.013 0.000 1.404 198 H HN 0.391 nan 8.280 nan 0.000 0.544 199 D N -0.198 120.055 120.400 -0.245 0.000 2.182 199 D HA -0.206 4.434 4.640 -0.000 0.000 0.201 199 D C 1.691 177.900 176.300 -0.151 0.000 0.986 199 D CA 0.826 54.675 54.000 -0.252 0.000 0.847 199 D CB -0.325 40.274 40.800 -0.335 0.000 0.942 199 D HN 0.525 nan 8.370 nan 0.000 0.467 200 W N 1.400 122.676 121.300 -0.040 0.000 2.358 200 W HA -0.044 4.616 4.660 -0.000 0.000 0.303 200 W C 2.014 178.542 176.519 0.016 0.000 1.208 200 W CA 0.297 57.636 57.345 -0.009 0.000 1.274 200 W CB -1.183 28.273 29.460 -0.007 0.000 1.138 200 W HN 0.039 nan 8.180 nan 0.000 0.515 201 N N 0.317 119.116 118.700 0.165 0.000 2.166 201 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 201 N C 1.758 177.352 175.510 0.140 0.000 1.019 201 N CA 1.245 54.391 53.050 0.159 0.000 0.856 201 N CB -0.590 37.913 38.487 0.027 0.000 0.993 201 N HN 0.250 nan 8.380 nan 0.000 0.426 202 R N 0.314 120.762 120.500 -0.086 0.000 2.119 202 R HA -0.033 4.307 4.340 -0.000 0.000 0.222 202 R C 1.775 178.094 176.300 0.031 0.000 1.088 202 R CA 0.680 56.756 56.100 -0.040 0.000 0.984 202 R CB -0.028 30.216 30.300 -0.093 0.000 0.884 202 R HN 0.196 nan 8.270 nan 0.000 0.447 203 E N 0.824 121.073 120.200 0.082 0.000 2.106 203 E HA -0.178 4.171 4.350 -0.000 0.000 0.192 203 E C 1.512 178.183 176.600 0.119 0.000 0.984 203 E CA 0.950 57.410 56.400 0.100 0.000 0.806 203 E CB -0.232 29.560 29.700 0.154 0.000 0.750 203 E HN 0.252 nan 8.360 nan 0.000 0.458 204 F N 0.186 120.164 119.950 0.048 0.000 2.069 204 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 204 F C 1.926 177.732 175.800 0.009 0.000 1.113 204 F CA 1.595 59.617 58.000 0.036 0.000 1.214 204 F CB -0.717 38.322 39.000 0.065 0.000 0.978 204 F HN -0.058 nan 8.300 nan 0.000 0.474 205 V N 1.126 120.831 119.914 -0.348 0.000 2.392 205 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 205 V C 2.673 178.593 176.094 -0.291 0.000 1.059 205 V CA 2.337 64.367 62.300 -0.449 0.000 1.051 205 V CB -0.814 30.903 31.823 -0.177 0.000 0.658 205 V HN 0.374 nan 8.190 nan 0.000 0.455 206 R N -0.024 120.382 120.500 -0.156 0.000 2.148 206 R HA -0.111 4.229 4.340 -0.000 0.000 0.223 206 R C 2.134 178.372 176.300 -0.104 0.000 1.088 206 R CA 1.758 57.797 56.100 -0.101 0.000 0.985 206 R CB -0.020 30.253 30.300 -0.045 0.000 0.880 206 R HN 0.725 nan 8.270 nan 0.000 0.451 207 T N -3.804 110.679 114.554 -0.118 0.000 2.975 207 T HA 0.139 4.489 4.350 -0.000 0.000 0.257 207 T C 0.677 175.307 174.700 -0.117 0.000 1.003 207 T CA -0.289 61.761 62.100 -0.084 0.000 0.932 207 T CB 0.427 69.280 68.868 -0.025 0.000 1.087 207 T HN -0.016 nan 8.240 nan 0.000 0.512 208 S N 2.528 118.087 115.700 -0.234 0.000 2.564 208 S HA 0.313 4.782 4.470 -0.000 0.000 0.278 208 S C -1.466 173.026 174.600 -0.181 0.000 1.333 208 S CA -1.199 56.858 58.200 -0.238 0.000 1.048 208 S CB 1.001 63.879 63.200 -0.537 0.000 0.900 208 S HN 0.104 nan 8.310 nan 0.000 0.505 209 P HA 0.112 nan 4.420 nan 0.000 0.221 209 P C 0.541 177.775 177.300 -0.109 0.000 1.150 209 P CA 0.768 63.812 63.100 -0.093 0.000 0.800 209 P CB 0.034 31.698 31.700 -0.061 0.000 0.787 210 A N -0.442 122.315 122.820 -0.105 0.000 2.337 210 A HA 0.348 4.668 4.320 -0.000 0.000 0.227 210 A C 2.153 179.628 177.584 -0.181 0.000 1.259 210 A CA 0.568 52.543 52.037 -0.102 0.000 0.870 210 A CB -1.350 17.664 19.000 0.024 0.000 0.927 210 A HN 0.214 nan 8.150 nan 0.000 0.497 211 G N 0.388 109.042 108.800 -0.242 0.000 2.440 211 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.218 211 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.218 211 G C 1.681 176.425 174.900 -0.260 0.000 1.154 211 G CA 1.163 46.076 45.100 -0.312 0.000 0.767 211 G HN 0.761 nan 8.290 nan 0.000 0.552 212 A N 0.617 123.302 122.820 -0.225 0.000 2.032 212 A HA -0.096 4.224 4.320 -0.000 0.000 0.221 212 A C 2.303 179.726 177.584 -0.268 0.000 1.165 212 A CA 2.184 54.102 52.037 -0.198 0.000 0.645 212 A CB -0.372 18.537 19.000 -0.153 0.000 0.807 212 A HN 0.342 nan 8.150 nan 0.000 0.453 213 R N -1.518 118.715 120.500 -0.444 0.000 2.189 213 R HA -0.072 4.268 4.340 -0.000 0.000 0.218 213 R C 0.541 176.392 176.300 -0.749 0.000 1.074 213 R CA 1.486 57.184 56.100 -0.670 0.000 0.991 213 R CB -0.454 29.251 30.300 -0.991 0.000 0.883 213 R HN 0.599 nan 8.270 nan 0.000 0.457 214 Y N -0.894 119.273 120.300 -0.221 0.000 2.500 214 Y HA 0.353 4.903 4.550 -0.000 0.000 0.246 214 Y C 1.598 177.335 175.900 -0.272 0.000 1.146 214 Y CA -0.634 57.243 58.100 -0.371 0.000 1.230 214 Y CB 0.178 38.130 38.460 -0.848 0.000 1.214 214 Y HN 0.080 nan 8.280 nan 0.000 0.526 215 E N 1.242 121.387 120.200 -0.090 0.000 2.072 215 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 215 E C 2.199 178.815 176.600 0.026 0.000 0.985 215 E CA 1.076 57.453 56.400 -0.039 0.000 0.801 215 E CB 0.186 29.846 29.700 -0.067 0.000 0.750 215 E HN 0.430 nan 8.360 nan 0.000 0.452 216 A N 1.313 124.147 122.820 0.023 0.000 1.883 216 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 216 A C 2.171 179.816 177.584 0.102 0.000 1.186 216 A CA 1.393 53.460 52.037 0.050 0.000 0.624 216 A CB -0.645 18.377 19.000 0.037 0.000 0.822 216 A HN 0.332 nan 8.150 nan 0.000 0.444 217 L N -0.446 120.880 121.223 0.171 0.000 2.109 217 L HA 0.059 4.399 4.340 -0.000 0.000 0.207 217 L C 2.670 179.714 176.870 0.290 0.000 1.086 217 L CA 1.982 56.977 54.840 0.258 0.000 0.760 217 L CB -0.966 41.352 42.059 0.432 0.000 0.910 217 L HN 0.347 nan 8.230 nan 0.000 0.437 218 A N -1.573 121.487 122.820 0.400 0.000 1.902 218 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 218 A C 2.265 180.037 177.584 0.313 0.000 1.181 218 A CA 2.322 54.643 52.037 0.473 0.000 0.623 218 A CB -1.171 18.041 19.000 0.353 0.000 0.818 218 A HN 0.481 nan 8.150 nan 0.000 0.443 219 T N -0.728 113.923 114.554 0.161 0.000 2.821 219 T HA -0.123 4.226 4.350 -0.000 0.000 0.267 219 T C 1.848 176.562 174.700 0.023 0.000 1.046 219 T CA 1.468 63.623 62.100 0.091 0.000 1.139 219 T CB -0.166 68.736 68.868 0.055 0.000 0.871 219 T HN 0.677 nan 8.240 nan 0.000 0.454 220 E N 0.439 120.628 120.200 -0.018 0.000 2.072 220 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 220 E C 2.135 178.513 176.600 -0.369 0.000 0.985 220 E CA 0.854 57.185 56.400 -0.114 0.000 0.801 220 E CB -0.158 29.515 29.700 -0.045 0.000 0.750 220 E HN 0.474 nan 8.360 nan 0.000 0.452 221 I N 1.047 121.290 120.570 -0.545 0.000 2.226 221 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 221 I C 2.259 178.105 176.117 -0.453 0.000 1.100 221 I CA 1.400 62.225 61.300 -0.792 0.000 1.374 221 I CB -0.267 37.253 38.000 -0.801 0.000 1.057 221 I HN 0.163 nan 8.210 nan 0.000 0.413 222 D N 0.885 121.178 120.400 -0.177 0.000 2.117 222 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 222 D C 2.327 178.624 176.300 -0.005 0.000 0.987 222 D CA 1.463 55.470 54.000 0.011 0.000 0.829 222 D CB 0.061 40.956 40.800 0.159 0.000 0.961 222 D HN 0.116 nan 8.370 nan 0.000 0.460 223 R N -0.532 119.957 120.500 -0.019 0.000 2.120 223 R HA 0.022 4.362 4.340 -0.000 0.000 0.234 223 R C 2.450 178.779 176.300 0.049 0.000 1.123 223 R CA 1.146 57.255 56.100 0.015 0.000 0.975 223 R CB -0.428 29.873 30.300 0.002 0.000 0.866 223 R HN 0.219 nan 8.270 nan 0.000 0.446 224 G N 1.013 109.814 108.800 0.001 0.000 2.421 224 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 224 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 224 G C 1.387 176.379 174.900 0.153 0.000 1.171 224 G CA 0.517 45.684 45.100 0.112 0.000 0.775 224 G HN 0.135 nan 8.290 nan 0.000 0.543 225 L N -0.555 120.693 121.223 0.042 0.000 2.046 225 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 225 L C 3.097 179.996 176.870 0.049 0.000 1.077 225 L CA 0.998 55.862 54.840 0.041 0.000 0.747 225 L CB -0.268 41.799 42.059 0.012 0.000 0.896 225 L HN 0.098 nan 8.230 nan 0.000 0.432 226 R N -0.866 119.671 120.500 0.062 0.000 2.115 226 R HA -0.145 4.194 4.340 -0.000 0.000 0.230 226 R C 2.163 178.515 176.300 0.088 0.000 1.111 226 R CA 1.283 57.413 56.100 0.050 0.000 0.976 226 R CB -0.330 30.002 30.300 0.053 0.000 0.870 226 R HN 0.237 nan 8.270 nan 0.000 0.445 227 F N 0.680 120.625 119.950 -0.009 0.000 2.113 227 F HA -0.211 4.316 4.527 -0.000 0.000 0.297 227 F C 1.986 177.784 175.800 -0.004 0.000 1.103 227 F CA 1.474 59.473 58.000 -0.001 0.000 1.248 227 F CB -0.036 38.972 39.000 0.014 0.000 0.999 227 F HN -0.076 nan 8.300 nan 0.000 0.475 228 M N -0.336 119.231 119.600 -0.055 0.000 2.088 228 M HA -0.300 4.180 4.480 -0.000 0.000 0.256 228 M C 2.595 178.792 176.300 -0.172 0.000 1.071 228 M CA 2.214 57.428 55.300 -0.143 0.000 1.097 228 M CB -0.853 31.740 32.600 -0.012 0.000 1.315 228 M HN 0.322 nan 8.290 nan 0.000 0.406 229 S N -0.078 115.555 115.700 -0.112 0.000 2.368 229 S HA -0.101 4.369 4.470 -0.000 0.000 0.225 229 S C 1.923 176.448 174.600 -0.126 0.000 1.030 229 S CA 1.356 59.486 58.200 -0.116 0.000 0.999 229 S CB -0.195 62.935 63.200 -0.117 0.000 0.844 229 S HN 0.500 nan 8.310 nan 0.000 0.459 230 A N 0.010 122.750 122.820 -0.133 0.000 1.972 230 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 230 A C 2.263 179.739 177.584 -0.180 0.000 1.169 230 A CA 1.469 53.432 52.037 -0.124 0.000 0.635 230 A CB -1.169 17.787 19.000 -0.073 0.000 0.810 230 A HN 0.707 nan 8.150 nan 0.000 0.446 231 C N -1.043 118.077 119.300 -0.301 0.000 2.539 231 C HA 0.407 4.867 4.460 -0.000 0.000 0.271 231 C C 1.968 176.853 174.990 -0.174 0.000 1.412 231 C CA 0.382 59.225 59.018 -0.291 0.000 1.729 231 C CB -1.327 26.135 27.740 -0.463 0.000 1.739 231 C HN 1.060 nan 8.230 nan 0.000 0.570 232 G N -0.146 108.571 108.800 -0.138 0.000 2.159 232 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.227 232 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.227 232 G C 0.040 174.891 174.900 -0.082 0.000 0.986 232 G CA 0.122 45.166 45.100 -0.094 0.000 0.651 232 G HN 0.353 nan 8.290 nan 0.000 0.523 233 V N 1.445 121.302 119.914 -0.095 0.000 2.455 233 V HA 0.635 4.755 4.120 -0.000 0.000 0.273 233 V C 0.880 176.939 176.094 -0.058 0.000 1.045 233 V CA 0.296 62.556 62.300 -0.068 0.000 0.976 233 V CB 1.005 32.788 31.823 -0.066 0.000 0.993 233 V HN 1.037 nan 8.190 nan 0.000 0.475 234 A N 3.325 126.121 122.820 -0.040 0.000 2.306 234 A HA 0.576 4.896 4.320 -0.000 0.000 0.330 234 A C 0.951 178.529 177.584 -0.008 0.000 1.146 234 A CA -0.457 51.561 52.037 -0.032 0.000 0.827 234 A CB 0.683 19.667 19.000 -0.027 0.000 1.178 234 A HN 0.909 nan 8.150 nan 0.000 0.490 235 D N 1.156 121.561 120.400 0.009 0.000 2.157 235 D HA -0.287 4.353 4.640 -0.000 0.000 0.191 235 D C 1.480 177.793 176.300 0.021 0.000 1.004 235 D CA 1.956 55.977 54.000 0.035 0.000 0.854 235 D CB -0.346 40.496 40.800 0.069 0.000 0.936 235 D HN 0.633 nan 8.370 nan 0.000 0.446 236 R N -0.110 120.397 120.500 0.012 0.000 2.178 236 R HA -0.179 4.161 4.340 -0.000 0.000 0.257 236 R C 1.533 177.836 176.300 0.006 0.000 1.163 236 R CA 1.610 57.715 56.100 0.008 0.000 0.981 236 R CB -0.381 29.920 30.300 0.001 0.000 0.878 236 R HN 0.367 nan 8.270 nan 0.000 0.454 237 N N -0.077 118.625 118.700 0.004 0.000 2.439 237 N HA 0.066 4.806 4.740 -0.000 0.000 0.176 237 N C 0.625 176.140 175.510 0.008 0.000 1.029 237 N CA 0.207 53.259 53.050 0.003 0.000 0.886 237 N CB 0.162 38.648 38.487 -0.002 0.000 1.057 237 N HN 0.030 nan 8.380 nan 0.000 0.437 238 L N 1.938 123.168 121.223 0.011 0.000 2.492 238 L HA -0.088 4.252 4.340 -0.000 0.000 0.280 238 L C 1.475 178.355 176.870 0.016 0.000 1.240 238 L CA 0.333 55.183 54.840 0.016 0.000 0.831 238 L CB 0.068 42.140 42.059 0.023 0.000 1.100 238 L HN 0.258 nan 8.230 nan 0.000 0.505 239 Q N -0.591 119.220 119.800 0.018 0.000 2.049 239 Q HA -0.344 3.996 4.340 -0.000 0.000 0.409 239 Q C 0.463 176.468 176.000 0.008 0.000 0.726 239 Q CA 2.186 57.998 55.803 0.015 0.000 0.896 239 Q CB -1.068 27.680 28.738 0.016 0.000 3.134 239 Q HN 0.802 nan 8.270 nan 0.000 0.836 240 T N -0.513 114.042 114.554 0.002 0.000 2.828 240 T HA 0.540 4.890 4.350 -0.000 0.000 0.290 240 T C -0.046 174.647 174.700 -0.012 0.000 1.019 240 T CA -0.072 62.028 62.100 0.000 0.000 1.031 240 T CB 0.722 69.590 68.868 -0.000 0.000 1.001 240 T HN 0.679 nan 8.240 nan 0.000 0.531 241 A N 2.656 125.471 122.820 -0.009 0.000 2.540 241 A HA 0.318 4.638 4.320 -0.000 0.000 0.239 241 A C 0.215 177.757 177.584 -0.069 0.000 1.061 241 A CA -0.031 51.995 52.037 -0.018 0.000 0.758 241 A CB -0.217 18.784 19.000 0.002 0.000 0.991 241 A HN 0.890 nan 8.150 nan 0.000 0.502 242 E N 1.532 121.667 120.200 -0.109 0.000 2.185 242 E HA 0.481 4.831 4.350 -0.000 0.000 0.261 242 E C -1.240 175.178 176.600 -0.303 0.000 0.879 242 E CA -0.108 56.129 56.400 -0.272 0.000 0.756 242 E CB 1.615 31.119 29.700 -0.327 0.000 1.152 242 E HN 0.606 nan 8.360 nan 0.000 0.416 243 I N 3.630 124.017 120.570 -0.306 0.000 2.362 243 I HA 0.298 4.468 4.170 -0.000 0.000 0.289 243 I C -0.723 175.223 176.117 -0.285 0.000 0.994 243 I CA -0.821 60.361 61.300 -0.195 0.000 1.158 243 I CB 0.724 38.691 38.000 -0.056 0.000 1.315 243 I HN 0.435 nan 8.210 nan 0.000 0.451 244 Y N 4.060 124.353 120.300 -0.013 0.000 2.354 244 Y HA 0.615 5.165 4.550 -0.000 0.000 0.322 244 Y C 0.626 176.660 175.900 0.224 0.000 1.253 244 Y CA -0.576 57.532 58.100 0.015 0.000 1.272 244 Y CB 1.207 39.608 38.460 -0.097 0.000 1.255 244 Y HN 0.551 nan 8.280 nan 0.000 0.500 245 A N 1.437 124.652 122.820 0.660 0.000 2.317 245 A HA 0.754 5.074 4.320 -0.000 0.000 0.327 245 A C -0.573 177.209 177.584 0.329 0.000 1.178 245 A CA -0.324 51.941 52.037 0.379 0.000 0.817 245 A CB 0.437 19.596 19.000 0.265 0.000 1.189 245 A HN 0.735 nan 8.150 nan 0.000 0.489 246 S N 1.535 117.402 115.700 0.279 0.000 2.588 246 S HA 0.916 5.386 4.470 -0.000 0.000 0.275 246 S C -0.784 173.977 174.600 0.269 0.000 1.130 246 S CA -0.648 57.703 58.200 0.252 0.000 0.855 246 S CB 1.650 65.060 63.200 0.350 0.000 1.116 246 S HN 1.376 nan 8.310 nan 0.000 0.472 247 H N -0.672 118.378 119.070 -0.034 0.000 2.948 247 H HA 0.488 5.044 4.556 -0.000 0.000 0.315 247 H C -1.304 173.285 175.328 -1.232 0.000 1.360 247 H CA -0.654 55.134 56.048 -0.432 0.000 1.125 247 H CB 0.982 30.607 29.762 -0.228 0.000 1.844 247 H HN 0.826 nan 8.280 nan 0.000 0.529 248 E N 0.919 120.246 120.200 -1.454 0.000 2.265 248 E HA 0.363 4.713 4.350 -0.000 0.000 0.272 248 E C -0.330 175.963 176.600 -0.513 0.000 1.067 248 E CA -0.418 55.138 56.400 -1.407 0.000 0.900 248 E CB 0.389 29.570 29.700 -0.864 0.000 1.017 248 E HN 0.610 nan 8.360 nan 0.000 0.431 249 A N 5.649 128.208 122.820 -0.435 0.000 2.545 249 A HA 0.071 4.391 4.320 -0.000 0.000 0.297 249 A C 0.243 177.810 177.584 -0.029 0.000 1.340 249 A CA -0.175 51.787 52.037 -0.125 0.000 1.016 249 A CB -0.035 18.922 19.000 -0.071 0.000 1.122 249 A HN 0.720 nan 8.150 nan 0.000 0.537 250 L N 3.921 125.145 121.223 0.003 0.000 2.519 250 L HA 0.280 4.620 4.340 -0.000 0.000 0.194 250 L C 0.575 177.523 176.870 0.130 0.000 1.072 250 L CA 1.248 56.109 54.840 0.035 0.000 0.845 250 L CB 0.285 42.298 42.059 -0.078 0.000 1.138 250 L HN 0.296 nan 8.230 nan 0.000 0.487 251 V N 2.729 122.675 119.914 0.054 0.000 2.356 251 V HA 0.107 4.226 4.120 -0.000 0.000 0.258 251 V C 1.422 177.541 176.094 0.042 0.000 1.065 251 V CA 0.035 62.370 62.300 0.058 0.000 0.935 251 V CB 0.696 32.574 31.823 0.091 0.000 1.061 251 V HN 0.312 nan 8.190 nan 0.000 0.484 252 L N 1.957 123.136 121.223 -0.072 0.000 2.291 252 L HA -0.052 4.288 4.340 -0.000 0.000 0.214 252 L C 1.964 178.787 176.870 -0.079 0.000 1.120 252 L CA 0.821 55.520 54.840 -0.235 0.000 0.799 252 L CB -0.235 41.606 42.059 -0.362 0.000 0.925 252 L HN 0.575 nan 8.230 nan 0.000 0.446 253 D N -0.453 119.995 120.400 0.081 0.000 2.123 253 D HA -0.245 4.395 4.640 -0.000 0.000 0.196 253 D C 1.865 178.257 176.300 0.153 0.000 0.992 253 D CA 1.396 55.486 54.000 0.150 0.000 0.833 253 D CB -0.080 40.899 40.800 0.298 0.000 0.954 253 D HN 0.305 nan 8.370 nan 0.000 0.455 254 Y N 1.837 122.179 120.300 0.069 0.000 2.133 254 Y HA -0.153 4.397 4.550 -0.000 0.000 0.287 254 Y C 2.149 178.080 175.900 0.052 0.000 1.134 254 Y CA 1.399 59.539 58.100 0.066 0.000 1.133 254 Y CB 0.060 38.577 38.460 0.095 0.000 0.987 254 Y HN -0.178 nan 8.280 nan 0.000 0.502 255 E N 0.689 120.931 120.200 0.071 0.000 2.077 255 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 255 E C 2.259 178.899 176.600 0.066 0.000 0.989 255 E CA 1.679 58.077 56.400 -0.003 0.000 0.800 255 E CB -0.497 29.060 29.700 -0.238 0.000 0.746 255 E HN 0.693 nan 8.360 nan 0.000 0.452 256 R N 0.826 121.337 120.500 0.017 0.000 2.115 256 R HA 0.105 4.445 4.340 -0.000 0.000 0.230 256 R C 2.180 178.520 176.300 0.067 0.000 1.111 256 R CA 1.307 57.502 56.100 0.159 0.000 0.976 256 R CB -0.448 29.928 30.300 0.126 0.000 0.870 256 R HN 0.059 nan 8.270 nan 0.000 0.445 257 A N 1.432 124.242 122.820 -0.016 0.000 2.015 257 A HA 0.030 4.350 4.320 -0.000 0.000 0.219 257 A C 1.949 179.467 177.584 -0.110 0.000 1.163 257 A CA 0.947 52.942 52.037 -0.069 0.000 0.646 257 A CB -0.155 18.783 19.000 -0.103 0.000 0.806 257 A HN 0.241 nan 8.150 nan 0.000 0.448 258 M N -0.018 119.499 119.600 -0.138 0.000 2.563 258 M HA 0.287 4.767 4.480 -0.000 0.000 0.231 258 M C -0.031 176.265 176.300 -0.006 0.000 1.136 258 M CA 0.094 55.317 55.300 -0.128 0.000 1.026 258 M CB -1.038 31.425 32.600 -0.229 0.000 1.597 258 M HN 0.219 nan 8.290 nan 0.000 0.495 259 L N 1.808 123.054 121.223 0.038 0.000 2.416 259 L HA 0.175 4.515 4.340 -0.000 0.000 0.272 259 L C 0.493 177.390 176.870 0.044 0.000 1.161 259 L CA 0.121 55.001 54.840 0.065 0.000 0.845 259 L CB 0.284 42.385 42.059 0.070 0.000 1.119 259 L HN 0.128 nan 8.230 nan 0.000 0.464 260 R N 2.594 123.138 120.500 0.073 0.000 2.808 260 R HA 0.506 4.845 4.340 -0.000 0.000 0.272 260 R C -1.244 175.119 176.300 0.105 0.000 0.995 260 R CA -1.176 54.960 56.100 0.060 0.000 0.917 260 R CB 2.062 32.383 30.300 0.035 0.000 1.217 260 R HN 0.305 nan 8.270 nan 0.000 0.471 261 L N 0.629 121.894 121.223 0.071 0.000 2.305 261 L HA 0.500 4.840 4.340 -0.000 0.000 0.281 261 L C -0.139 176.781 176.870 0.082 0.000 1.085 261 L CA 0.689 55.584 54.840 0.091 0.000 0.813 261 L CB 1.131 43.219 42.059 0.048 0.000 1.157 261 L HN 0.693 nan 8.230 nan 0.000 0.436 262 S N 2.623 118.424 115.700 0.168 0.000 2.643 262 S HA 0.538 5.008 4.470 -0.000 0.000 0.270 262 S C -1.265 173.464 174.600 0.215 0.000 1.166 262 S CA -0.809 57.436 58.200 0.075 0.000 0.815 262 S CB 1.006 64.055 63.200 -0.251 0.000 1.139 262 S HN 0.714 nan 8.310 nan 0.000 0.472 268 E N 1.412 121.617 120.200 0.008 0.000 2.319 268 E HA 0.684 5.034 4.350 -0.000 0.000 0.268 268 E C -2.726 173.893 176.600 0.032 0.000 1.050 268 E CA -1.806 54.600 56.400 0.010 0.000 0.878 268 E CB -0.206 29.489 29.700 -0.008 0.000 1.066 268 E HN 0.132 nan 8.360 nan 0.000 0.406 269 P HA 0.054 nan 4.420 nan 0.000 0.261 269 P C -0.743 176.584 177.300 0.044 0.000 1.173 269 P CA 0.583 63.712 63.100 0.047 0.000 0.760 269 P CB 0.350 32.067 31.700 0.029 0.000 0.783 270 Q N 1.496 121.347 119.800 0.085 0.000 2.416 270 Q HA 0.476 4.815 4.340 -0.000 0.000 0.281 270 Q C -0.838 175.204 176.000 0.069 0.000 1.067 270 Q CA -0.998 54.820 55.803 0.024 0.000 0.809 270 Q CB 1.979 30.686 28.738 -0.052 0.000 1.418 270 Q HN 0.316 nan 8.270 nan 0.000 0.411 271 L N 1.966 123.160 121.223 -0.049 0.000 2.305 271 L HA 0.441 4.781 4.340 -0.000 0.000 0.281 271 L C -0.873 175.924 176.870 -0.120 0.000 1.085 271 L CA -0.145 54.683 54.840 -0.020 0.000 0.813 271 L CB 0.214 42.217 42.059 -0.093 0.000 1.157 271 L HN 0.420 nan 8.230 nan 0.000 0.436 272 F N 0.890 120.817 119.950 -0.038 0.000 2.469 272 F HA 0.237 4.764 4.527 -0.000 0.000 0.332 272 F C 0.420 176.213 175.800 -0.012 0.000 1.103 272 F CA -0.866 57.120 58.000 -0.023 0.000 0.979 272 F CB 1.388 40.390 39.000 0.003 0.000 1.137 272 F HN 0.362 nan 8.300 nan 0.000 0.463 273 D N 3.891 124.377 120.400 0.144 0.000 2.365 273 D HA 0.175 4.815 4.640 -0.000 0.000 0.237 273 D C 0.227 176.620 176.300 0.156 0.000 1.190 273 D CA 0.171 54.262 54.000 0.152 0.000 0.867 273 D CB 0.592 41.504 40.800 0.187 0.000 1.050 273 D HN 0.525 nan 8.370 nan 0.000 0.491 274 L N 3.109 124.404 121.223 0.120 0.000 2.728 274 L HA 0.041 4.380 4.340 -0.000 0.000 0.235 274 L C 1.847 178.763 176.870 0.076 0.000 1.197 274 L CA -0.065 54.825 54.840 0.084 0.000 0.992 274 L CB -0.159 41.935 42.059 0.058 0.000 1.263 274 L HN 0.328 nan 8.230 nan 0.000 0.484 275 S N -0.978 114.790 115.700 0.113 0.000 2.527 275 S HA 0.330 4.800 4.470 -0.000 0.000 0.222 275 S C 0.743 175.501 174.600 0.264 0.000 0.985 275 S CA 0.236 58.556 58.200 0.199 0.000 0.921 275 S CB 0.343 63.699 63.200 0.260 0.000 0.772 275 S HN 0.329 nan 8.310 nan 0.000 0.529 276 A N -0.257 122.649 122.820 0.143 0.000 2.536 276 A HA 0.692 5.012 4.320 -0.000 0.000 0.293 276 A C -0.270 177.295 177.584 -0.031 0.000 1.119 276 A CA -0.572 51.510 52.037 0.076 0.000 0.654 276 A CB -0.123 18.945 19.000 0.113 0.000 1.291 276 A HN 0.265 nan 8.150 nan 0.000 0.439 277 H N -0.741 118.431 119.070 0.170 0.000 2.418 277 H HA 0.324 4.880 4.556 -0.000 0.000 0.300 277 H C 0.729 176.110 175.328 0.090 0.000 1.041 277 H CA 1.691 57.834 56.048 0.159 0.000 1.364 277 H CB 0.613 30.513 29.762 0.231 0.000 1.439 277 H HN 0.627 nan 8.280 nan 0.000 0.540 278 T N 0.462 115.128 114.554 0.187 0.000 2.900 278 T HA 0.536 4.886 4.350 -0.000 0.000 0.303 278 T C -1.481 173.251 174.700 0.053 0.000 1.142 278 T CA -0.580 61.581 62.100 0.102 0.000 1.007 278 T CB 1.104 70.019 68.868 0.080 0.000 1.156 278 T HN 0.114 nan 8.240 nan 0.000 0.490 279 V N 1.593 121.521 119.914 0.023 0.000 3.040 279 V HA 1.033 5.153 4.120 -0.000 0.000 0.312 279 V C -1.239 174.913 176.094 0.098 0.000 1.115 279 V CA -1.220 61.025 62.300 -0.092 0.000 0.998 279 V CB 1.538 33.223 31.823 -0.230 0.000 1.042 279 V HN 1.107 nan 8.190 nan 0.000 0.433 280 W N 1.520 122.793 121.300 -0.045 0.000 2.929 280 W HA 0.934 5.594 4.660 -0.000 0.000 0.345 280 W C -1.588 174.906 176.519 -0.042 0.000 1.151 280 W CA -1.525 55.797 57.345 -0.037 0.000 1.111 280 W CB 1.182 30.631 29.460 -0.018 0.000 1.449 280 W HN 0.598 nan 8.180 nan 0.000 0.572 281 I N 2.720 123.380 120.570 0.149 0.000 2.389 281 I HA 0.537 4.707 4.170 -0.000 0.000 0.288 281 I C 0.888 177.051 176.117 0.076 0.000 0.999 281 I CA -0.769 60.537 61.300 0.009 0.000 1.129 281 I CB 1.329 39.324 38.000 -0.008 0.000 1.288 281 I HN 0.769 nan 8.210 nan 0.000 0.444 282 G N 3.042 111.841 108.800 -0.001 0.000 2.616 282 G HA2 0.103 4.063 3.960 -0.000 0.000 0.268 282 G HA3 0.103 4.063 3.960 -0.000 0.000 0.268 282 G C 0.645 175.509 174.900 -0.060 0.000 1.213 282 G CA -0.134 44.976 45.100 0.017 0.000 0.926 282 G HN 0.703 nan 8.290 nan 0.000 0.523 283 E N -0.392 119.769 120.200 -0.066 0.000 2.118 283 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 283 E C 2.352 178.928 176.600 -0.041 0.000 0.992 283 E CA 1.282 57.651 56.400 -0.052 0.000 0.804 283 E CB 0.017 29.687 29.700 -0.050 0.000 0.741 283 E HN 0.523 nan 8.360 nan 0.000 0.458 284 R N -1.013 119.450 120.500 -0.061 0.000 2.317 284 R HA 0.105 4.445 4.340 -0.000 0.000 0.208 284 R C 0.885 177.131 176.300 -0.089 0.000 0.914 284 R CA 1.185 57.251 56.100 -0.057 0.000 1.060 284 R CB 0.368 30.636 30.300 -0.054 0.000 1.015 284 R HN 0.207 nan 8.270 nan 0.000 0.498 285 T N -2.310 112.156 114.554 -0.147 0.000 3.231 285 T HA 0.120 4.470 4.350 -0.000 0.000 0.292 285 T C 0.865 175.498 174.700 -0.113 0.000 1.001 285 T CA -0.657 61.298 62.100 -0.241 0.000 0.920 285 T CB 0.131 68.574 68.868 -0.708 0.000 1.140 285 T HN 0.222 nan 8.240 nan 0.000 0.525 286 R N 0.696 121.180 120.500 -0.027 0.000 2.480 286 R HA 0.375 4.715 4.340 -0.000 0.000 0.277 286 R C -0.479 175.935 176.300 0.191 0.000 1.008 286 R CA -0.624 55.507 56.100 0.052 0.000 1.090 286 R CB -0.447 29.825 30.300 -0.045 0.000 1.234 286 R HN 0.186 nan 8.270 nan 0.000 0.549 287 Q N 0.958 120.838 119.800 0.132 0.000 2.269 287 Q HA -0.065 4.275 4.340 -0.000 0.000 0.300 287 Q C 0.925 177.014 176.000 0.149 0.000 1.070 287 Q CA 0.046 55.923 55.803 0.124 0.000 0.957 287 Q CB 0.619 29.408 28.738 0.085 0.000 1.131 287 Q HN 0.290 nan 8.270 nan 0.000 0.377 288 I N 1.989 122.623 120.570 0.106 0.000 2.264 288 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 288 I C 0.512 176.658 176.117 0.049 0.000 1.111 288 I CA 1.674 63.005 61.300 0.050 0.000 1.382 288 I CB 0.150 38.081 38.000 -0.114 0.000 1.060 288 I HN 0.634 nan 8.210 nan 0.000 0.418 289 D N 0.700 121.124 120.400 0.039 0.000 2.491 289 D HA 0.242 4.882 4.640 -0.000 0.000 0.228 289 D C 0.624 176.956 176.300 0.053 0.000 1.183 289 D CA 0.229 54.251 54.000 0.036 0.000 0.827 289 D CB -0.096 40.714 40.800 0.017 0.000 0.989 289 D HN 0.351 nan 8.370 nan 0.000 0.494 290 G N -0.296 108.554 108.800 0.083 0.000 2.511 290 G HA2 0.432 4.392 3.960 -0.000 0.000 0.316 290 G HA3 0.432 4.392 3.960 -0.000 0.000 0.316 290 G C 1.042 176.000 174.900 0.097 0.000 1.210 290 G CA -0.170 44.989 45.100 0.097 0.000 0.969 290 G HN 0.054 nan 8.290 nan 0.000 0.492 291 A N -0.618 122.244 122.820 0.069 0.000 1.930 291 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 291 A C 1.973 179.558 177.584 0.002 0.000 1.175 291 A CA 1.966 54.006 52.037 0.004 0.000 0.627 291 A CB -0.735 18.210 19.000 -0.092 0.000 0.815 291 A HN 0.759 nan 8.150 nan 0.000 0.443 292 H N -0.340 118.765 119.070 0.058 0.000 2.321 292 H HA -0.041 4.515 4.556 -0.000 0.000 0.300 292 H C 1.928 177.331 175.328 0.124 0.000 1.087 292 H CA 1.729 57.815 56.048 0.064 0.000 1.319 292 H CB -0.079 29.688 29.762 0.008 0.000 1.379 292 H HN 0.340 nan 8.280 nan 0.000 0.501 293 I N 0.569 121.273 120.570 0.224 0.000 2.315 293 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 293 I C 2.544 178.740 176.117 0.133 0.000 1.117 293 I CA 1.207 62.610 61.300 0.172 0.000 1.404 293 I CB -1.305 36.813 38.000 0.197 0.000 1.071 293 I HN 0.289 nan 8.210 nan 0.000 0.419 294 A N 0.574 123.466 122.820 0.120 0.000 1.902 294 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 294 A C 2.303 179.938 177.584 0.084 0.000 1.181 294 A CA 1.373 53.458 52.037 0.081 0.000 0.623 294 A CB -1.024 18.017 19.000 0.069 0.000 0.818 294 A HN 0.373 nan 8.150 nan 0.000 0.443 295 F N 0.951 120.891 119.950 -0.016 0.000 2.075 295 F HA -0.072 4.455 4.527 -0.000 0.000 0.297 295 F C 2.558 178.345 175.800 -0.021 0.000 1.113 295 F CA 1.428 59.411 58.000 -0.027 0.000 1.218 295 F CB -0.466 38.507 39.000 -0.046 0.000 0.984 295 F HN 0.242 nan 8.300 nan 0.000 0.472 296 A N -0.284 122.625 122.820 0.148 0.000 1.986 296 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 296 A C 2.181 179.720 177.584 -0.074 0.000 1.171 296 A CA 1.909 53.964 52.037 0.030 0.000 0.640 296 A CB -0.921 18.134 19.000 0.092 0.000 0.811 296 A HN 0.641 nan 8.150 nan 0.000 0.451 297 Q N -0.945 118.821 119.800 -0.056 0.000 2.167 297 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 297 Q C 1.913 177.832 176.000 -0.135 0.000 0.970 297 Q CA 1.524 57.278 55.803 -0.081 0.000 0.855 297 Q CB -0.076 28.634 28.738 -0.047 0.000 0.911 297 Q HN 0.514 nan 8.270 nan 0.000 0.438 298 V N 1.171 120.968 119.914 -0.196 0.000 3.052 298 V HA -0.014 4.106 4.120 -0.000 0.000 0.254 298 V C 1.279 177.198 176.094 -0.291 0.000 1.100 298 V CA 0.432 62.599 62.300 -0.222 0.000 1.112 298 V CB -0.139 31.547 31.823 -0.229 0.000 0.738 298 V HN 0.312 nan 8.190 nan 0.000 0.469 299 I N -1.678 118.663 120.570 -0.381 0.000 2.612 299 I HA 0.563 4.733 4.170 -0.000 0.000 0.295 299 I C 1.246 177.164 176.117 -0.332 0.000 1.011 299 I CA -0.078 60.993 61.300 -0.382 0.000 1.326 299 I CB 1.414 39.162 38.000 -0.420 0.000 1.427 299 I HN -0.031 nan 8.210 nan 0.000 0.537 300 A N 3.748 126.273 122.820 -0.492 0.000 2.123 300 A HA 0.107 4.427 4.320 -0.000 0.000 0.214 300 A C 0.782 178.147 177.584 -0.365 0.000 1.152 300 A CA 0.150 51.842 52.037 -0.576 0.000 0.728 300 A CB -1.004 17.241 19.000 -1.258 0.000 0.814 300 A HN 0.879 nan 8.150 nan 0.000 0.464 301 N N 1.265 119.821 118.700 -0.240 0.000 2.395 301 N HA 0.283 5.023 4.740 -0.000 0.000 0.246 301 N C -2.808 172.675 175.510 -0.046 0.000 1.246 301 N CA -0.706 52.311 53.050 -0.054 0.000 0.879 301 N CB -0.126 38.369 38.487 0.013 0.000 1.098 301 N HN 0.113 nan 8.380 nan 0.000 0.444 302 P HA 0.003 nan 4.420 nan 0.000 0.266 302 P C -0.714 176.583 177.300 -0.005 0.000 1.195 302 P CA -0.093 62.992 63.100 -0.024 0.000 0.768 302 P CB 0.543 32.221 31.700 -0.037 0.000 0.838 303 V N 0.087 119.995 119.914 -0.010 0.000 3.040 303 V HA 0.988 5.108 4.120 -0.000 0.000 0.312 303 V C -0.138 175.965 176.094 0.016 0.000 1.115 303 V CA -0.917 61.395 62.300 0.020 0.000 0.998 303 V CB 2.014 33.845 31.823 0.015 0.000 1.042 303 V HN 0.635 nan 8.190 nan 0.000 0.433 304 G N 0.313 109.158 108.800 0.075 0.000 2.519 304 G HA2 0.696 4.656 3.960 -0.000 0.000 0.307 304 G HA3 0.696 4.656 3.960 -0.000 0.000 0.307 304 G C -1.530 173.397 174.900 0.046 0.000 1.266 304 G CA -0.892 44.238 45.100 0.051 0.000 0.970 304 G HN 1.136 nan 8.290 nan 0.000 0.481 305 V N 2.011 121.887 119.914 -0.063 0.000 2.577 305 V HA 0.377 4.497 4.120 -0.000 0.000 0.303 305 V C -0.634 175.378 176.094 -0.136 0.000 1.042 305 V CA -1.339 60.869 62.300 -0.152 0.000 0.872 305 V CB 1.838 33.409 31.823 -0.419 0.000 0.998 305 V HN 0.590 nan 8.190 nan 0.000 0.423 306 K N 5.154 125.493 120.400 -0.102 0.000 2.379 306 K HA 0.446 4.766 4.320 -0.000 0.000 0.284 306 K C -0.731 175.816 176.600 -0.089 0.000 1.044 306 K CA 0.105 56.322 56.287 -0.116 0.000 0.974 306 K CB 0.827 33.251 32.500 -0.126 0.000 0.962 306 K HN 0.536 nan 8.250 nan 0.000 0.474 307 L N 2.566 123.766 121.223 -0.039 0.000 2.316 307 L HA 0.390 4.730 4.340 -0.000 0.000 0.280 307 L C 0.916 177.803 176.870 0.027 0.000 1.006 307 L CA -0.770 54.083 54.840 0.022 0.000 0.836 307 L CB 1.722 43.834 42.059 0.087 0.000 1.221 307 L HN 0.637 nan 8.230 nan 0.000 0.418 308 G N 2.450 111.266 108.800 0.026 0.000 2.568 308 G HA2 0.437 4.397 3.960 -0.000 0.000 0.293 308 G HA3 0.437 4.397 3.960 -0.000 0.000 0.293 308 G C -1.970 172.946 174.900 0.027 0.000 1.347 308 G CA -1.046 44.068 45.100 0.023 0.000 1.039 308 G HN 0.399 nan 8.290 nan 0.000 0.523 309 P HA -0.048 nan 4.420 nan 0.000 0.222 309 P C 1.111 178.415 177.300 0.006 0.000 1.147 309 P CA 0.674 63.772 63.100 -0.002 0.000 0.790 309 P CB 0.212 31.900 31.700 -0.020 0.000 0.780 310 N N -1.010 117.701 118.700 0.019 0.000 2.521 310 N HA 0.009 4.749 4.740 -0.000 0.000 0.188 310 N C 0.718 176.249 175.510 0.034 0.000 1.146 310 N CA 0.185 53.248 53.050 0.023 0.000 0.893 310 N CB -0.593 37.910 38.487 0.026 0.000 0.975 310 N HN 0.201 nan 8.380 nan 0.000 0.451 311 M N 1.694 121.322 119.600 0.047 0.000 2.252 311 M HA 0.004 4.484 4.480 -0.000 0.000 0.348 311 M C 0.309 176.638 176.300 0.049 0.000 1.334 311 M CA -0.152 55.190 55.300 0.069 0.000 1.071 311 M CB 0.345 33.002 32.600 0.095 0.000 1.763 311 M HN 0.130 nan 8.290 nan 0.000 0.452 312 T N 3.323 117.905 114.554 0.045 0.000 2.928 312 T HA 0.575 4.924 4.350 -0.000 0.000 0.284 312 T C -2.166 172.559 174.700 0.041 0.000 1.008 312 T CA -1.745 60.371 62.100 0.028 0.000 1.057 312 T CB 0.991 69.864 68.868 0.009 0.000 1.018 312 T HN 0.528 nan 8.240 nan 0.000 0.493 313 P HA -0.055 nan 4.420 nan 0.000 0.218 313 P C 1.101 178.421 177.300 0.033 0.000 1.148 313 P CA 0.946 64.073 63.100 0.045 0.000 0.822 313 P CB 0.124 31.840 31.700 0.026 0.000 0.784 314 E N -0.702 119.502 120.200 0.007 0.000 2.047 314 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 314 E C 1.831 178.400 176.600 -0.051 0.000 0.987 314 E CA 0.718 57.108 56.400 -0.017 0.000 0.799 314 E CB -1.262 28.425 29.700 -0.023 0.000 0.752 314 E HN 0.096 nan 8.360 nan 0.000 0.449 315 L N 0.555 121.741 121.223 -0.062 0.000 2.083 315 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 315 L C 2.003 178.769 176.870 -0.174 0.000 1.083 315 L CA 1.954 56.698 54.840 -0.161 0.000 0.752 315 L CB -0.841 41.145 42.059 -0.122 0.000 0.899 315 L HN 0.115 nan 8.230 nan 0.000 0.433 316 A N -1.213 121.627 122.820 0.033 0.000 1.933 316 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 316 A C 2.271 179.909 177.584 0.090 0.000 1.175 316 A CA 1.898 54.039 52.037 0.172 0.000 0.628 316 A CB -1.038 18.088 19.000 0.209 0.000 0.814 316 A HN 0.296 nan 8.150 nan 0.000 0.444 317 V N 0.054 119.980 119.914 0.020 0.000 2.427 317 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 317 V C 2.387 178.432 176.094 -0.081 0.000 1.051 317 V CA 2.132 64.420 62.300 -0.020 0.000 1.048 317 V CB -0.736 31.079 31.823 -0.013 0.000 0.666 317 V HN 0.616 nan 8.190 nan 0.000 0.456 318 E N -0.808 119.311 120.200 -0.136 0.000 2.110 318 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 318 E C 2.187 178.676 176.600 -0.185 0.000 0.988 318 E CA 1.590 57.873 56.400 -0.194 0.000 0.804 318 E CB -0.189 29.340 29.700 -0.285 0.000 0.745 318 E HN 0.692 nan 8.360 nan 0.000 0.458 319 Y N 0.171 120.441 120.300 -0.051 0.000 2.181 319 Y HA -0.204 4.346 4.550 -0.000 0.000 0.288 319 Y C 2.355 178.192 175.900 -0.106 0.000 1.146 319 Y CA 0.582 58.647 58.100 -0.059 0.000 1.164 319 Y CB -0.802 37.634 38.460 -0.040 0.000 0.982 319 Y HN -0.105 nan 8.280 nan 0.000 0.515 320 V N 0.129 120.047 119.914 0.007 0.000 2.287 320 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 320 V C 2.038 177.971 176.094 -0.268 0.000 1.053 320 V CA 2.209 64.410 62.300 -0.164 0.000 1.027 320 V CB -0.569 31.115 31.823 -0.231 0.000 0.646 320 V HN 0.408 nan 8.190 nan 0.000 0.447 321 E N -0.540 119.526 120.200 -0.222 0.000 2.106 321 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 321 E C 2.523 179.056 176.600 -0.113 0.000 0.984 321 E CA 0.751 57.040 56.400 -0.185 0.000 0.806 321 E CB -0.111 29.516 29.700 -0.122 0.000 0.750 321 E HN 0.443 nan 8.360 nan 0.000 0.458 322 R N 0.272 120.726 120.500 -0.076 0.000 2.073 322 R HA -0.000 4.340 4.340 -0.000 0.000 0.229 322 R C 2.229 178.496 176.300 -0.055 0.000 1.120 322 R CA 0.868 56.940 56.100 -0.046 0.000 0.967 322 R CB -0.211 30.090 30.300 0.002 0.000 0.862 322 R HN 0.245 nan 8.270 nan 0.000 0.436 323 L N -0.123 121.077 121.223 -0.039 0.000 2.554 323 L HA 0.090 4.430 4.340 -0.000 0.000 0.225 323 L C 0.283 177.107 176.870 -0.076 0.000 1.104 323 L CA 0.288 55.101 54.840 -0.046 0.000 0.866 323 L CB 0.167 42.221 42.059 -0.008 0.000 1.047 323 L HN -0.022 nan 8.230 nan 0.000 0.468 324 D N -0.175 120.173 120.400 -0.087 0.000 2.861 324 D HA 0.131 4.771 4.640 -0.000 0.000 0.357 324 D C -1.599 174.706 176.300 0.008 0.000 1.250 324 D CA -1.641 52.338 54.000 -0.034 0.000 0.802 324 D CB 0.738 41.564 40.800 0.042 0.000 1.141 324 D HN -0.070 nan 8.370 nan 0.000 0.489 325 P HA -0.101 nan 4.420 nan 0.000 0.221 325 P C 0.601 177.872 177.300 -0.048 0.000 1.150 325 P CA 0.978 64.000 63.100 -0.130 0.000 0.800 325 P CB 0.057 31.572 31.700 -0.309 0.000 0.787 326 H N -1.228 117.877 119.070 0.058 0.000 2.526 326 H HA 0.180 4.736 4.556 -0.000 0.000 0.274 326 H C 0.232 175.558 175.328 -0.003 0.000 0.999 326 H CA -0.298 55.761 56.048 0.019 0.000 1.157 326 H CB -0.724 29.036 29.762 -0.004 0.000 1.407 326 H HN 0.108 nan 8.280 nan 0.000 0.568 327 N N 1.729 120.490 118.700 0.103 0.000 2.671 327 N HA -0.196 4.543 4.740 -0.000 0.000 0.261 327 N C -1.199 174.315 175.510 0.007 0.000 1.053 327 N CA 0.001 53.025 53.050 -0.043 0.000 0.732 327 N CB -0.295 38.029 38.487 -0.271 0.000 0.887 327 N HN 0.392 nan 8.380 nan 0.000 0.546 328 K N 1.510 121.942 120.400 0.054 0.000 2.292 328 K HA 0.307 4.627 4.320 -0.000 0.000 0.270 328 K C -2.489 174.116 176.600 0.009 0.000 1.062 328 K CA -1.675 54.630 56.287 0.029 0.000 0.916 328 K CB 1.281 33.807 32.500 0.043 0.000 1.166 328 K HN 0.119 nan 8.250 nan 0.000 0.458 329 P HA -0.089 nan 4.420 nan 0.000 0.262 329 P C 0.744 178.026 177.300 -0.030 0.000 1.182 329 P CA 0.928 64.016 63.100 -0.019 0.000 0.761 329 P CB 0.652 32.339 31.700 -0.021 0.000 0.795 330 G N 3.315 112.085 108.800 -0.049 0.000 2.205 330 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.261 330 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.261 330 G C 1.302 176.164 174.900 -0.063 0.000 0.980 330 G CA 0.558 45.620 45.100 -0.064 0.000 0.632 330 G HN 0.618 nan 8.290 nan 0.000 0.533 331 R N 0.070 120.543 120.500 -0.045 0.000 2.096 331 R HA 0.255 4.595 4.340 -0.000 0.000 0.235 331 R C 1.128 177.394 176.300 -0.056 0.000 1.127 331 R CA 1.762 57.837 56.100 -0.042 0.000 0.968 331 R CB -0.283 30.004 30.300 -0.022 0.000 0.861 331 R HN 0.812 nan 8.270 nan 0.000 0.440 332 L N 0.855 122.034 121.223 -0.074 0.000 2.313 332 L HA 0.476 4.816 4.340 -0.000 0.000 0.283 332 L C -1.297 175.483 176.870 -0.149 0.000 1.013 332 L CA -0.158 54.623 54.840 -0.098 0.000 0.816 332 L CB 2.239 44.238 42.059 -0.100 0.000 1.236 332 L HN 0.093 nan 8.230 nan 0.000 0.419 333 T N 6.221 120.692 114.554 -0.137 0.000 2.779 333 T HA 0.542 4.892 4.350 -0.000 0.000 0.280 333 T C -0.338 174.261 174.700 -0.168 0.000 0.987 333 T CA -0.290 61.709 62.100 -0.167 0.000 0.966 333 T CB 0.822 69.620 68.868 -0.117 0.000 0.933 333 T HN 0.419 nan 8.240 nan 0.000 0.442 334 L N 3.656 124.743 121.223 -0.226 0.000 2.265 334 L HA 0.502 4.842 4.340 -0.000 0.000 0.289 334 L C -0.433 176.454 176.870 0.027 0.000 1.033 334 L CA -0.981 53.785 54.840 -0.124 0.000 0.814 334 L CB 1.305 43.240 42.059 -0.206 0.000 1.203 334 L HN 0.360 nan 8.230 nan 0.000 0.423 335 V N 2.377 122.288 119.914 -0.006 0.000 2.318 335 V HA 0.144 4.264 4.120 -0.000 0.000 0.271 335 V C 0.572 176.673 176.094 0.011 0.000 1.030 335 V CA -0.309 61.976 62.300 -0.026 0.000 0.844 335 V CB 1.220 32.959 31.823 -0.139 0.000 1.015 335 V HN 0.787 nan 8.190 nan 0.000 0.460 336 S N 5.555 121.306 115.700 0.084 0.000 2.505 336 S HA 0.475 4.945 4.470 -0.000 0.000 0.276 336 S C 0.250 174.851 174.600 0.002 0.000 1.274 336 S CA -0.654 57.605 58.200 0.098 0.000 1.053 336 S CB -0.054 63.283 63.200 0.229 0.000 0.919 336 S HN 0.834 nan 8.310 nan 0.000 0.490 337 R N 4.564 125.068 120.500 0.007 0.000 2.718 337 R HA 0.369 4.709 4.340 -0.000 0.000 0.266 337 R C 0.116 176.433 176.300 0.028 0.000 1.776 337 R CA -0.350 55.753 56.100 0.006 0.000 1.567 337 R CB -0.148 30.149 30.300 -0.004 0.000 1.336 337 R HN 0.443 nan 8.270 nan 0.000 0.619 338 M N 0.418 120.035 119.600 0.029 0.000 2.486 338 M HA 0.343 4.822 4.480 -0.000 0.000 0.264 338 M C 0.546 176.847 176.300 0.002 0.000 1.125 338 M CA 0.906 56.210 55.300 0.007 0.000 1.144 338 M CB -0.285 32.309 32.600 -0.010 0.000 1.353 338 M HN 0.797 nan 8.290 nan 0.000 0.466 339 G N 2.515 111.350 108.800 0.059 0.000 2.784 339 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.686 339 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.686 339 G C 0.318 175.321 174.900 0.171 0.000 1.156 339 G CA -0.103 45.097 45.100 0.167 0.000 0.757 339 G HN 0.410 nan 8.290 nan 0.000 0.642 340 N N 1.037 119.880 118.700 0.239 0.000 2.289 340 N HA -0.207 4.533 4.740 -0.000 0.000 0.184 340 N C 1.640 177.264 175.510 0.190 0.000 1.016 340 N CA 2.303 55.450 53.050 0.161 0.000 0.872 340 N CB -0.470 38.075 38.487 0.098 0.000 0.973 340 N HN 0.997 nan 8.380 nan 0.000 0.433 341 H N -0.251 118.830 119.070 0.018 0.000 2.529 341 H HA 0.222 4.778 4.556 -0.000 0.000 0.277 341 H C 0.937 176.272 175.328 0.013 0.000 0.999 341 H CA 0.580 56.637 56.048 0.016 0.000 1.256 341 H CB -0.135 29.637 29.762 0.017 0.000 1.402 341 H HN 0.288 nan 8.280 nan 0.000 0.566 342 K N 0.193 120.415 120.400 -0.296 0.000 2.399 342 K HA 0.123 4.443 4.320 -0.000 0.000 0.196 342 K C 2.027 178.562 176.600 -0.108 0.000 1.103 342 K CA 0.524 56.659 56.287 -0.253 0.000 0.986 342 K CB 0.724 33.006 32.500 -0.364 0.000 0.952 342 K HN 0.036 nan 8.250 nan 0.000 0.541 343 V N 2.190 122.072 119.914 -0.052 0.000 2.392 343 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 343 V C 1.894 177.965 176.094 -0.038 0.000 1.059 343 V CA 1.856 64.147 62.300 -0.014 0.000 1.051 343 V CB -0.218 31.635 31.823 0.051 0.000 0.658 343 V HN 0.251 nan 8.190 nan 0.000 0.455 344 R N -0.348 120.131 120.500 -0.034 0.000 2.148 344 R HA -0.087 4.253 4.340 -0.000 0.000 0.227 344 R C 1.886 178.145 176.300 -0.068 0.000 1.103 344 R CA 1.593 57.662 56.100 -0.052 0.000 0.983 344 R CB -0.266 30.019 30.300 -0.026 0.000 0.874 344 R HN 0.595 nan 8.270 nan 0.000 0.451 345 D N 0.145 120.509 120.400 -0.061 0.000 2.201 345 D HA -0.011 4.629 4.640 -0.000 0.000 0.209 345 D C 1.914 178.174 176.300 -0.068 0.000 0.961 345 D CA 0.868 54.831 54.000 -0.060 0.000 0.861 345 D CB 0.179 40.948 40.800 -0.053 0.000 0.997 345 D HN 0.165 nan 8.370 nan 0.000 0.486 346 L N 0.165 121.347 121.223 -0.069 0.000 2.298 346 L HA 0.054 4.394 4.340 -0.000 0.000 0.209 346 L C 2.216 179.045 176.870 -0.068 0.000 1.084 346 L CA 0.121 54.925 54.840 -0.059 0.000 0.816 346 L CB -0.007 42.022 42.059 -0.049 0.000 0.967 346 L HN -0.004 nan 8.230 nan 0.000 0.460 347 L N 1.117 122.283 121.223 -0.094 0.000 2.056 347 L HA -0.003 4.337 4.340 -0.000 0.000 0.207 347 L C -0.532 176.200 176.870 -0.230 0.000 1.078 347 L CA 1.872 56.624 54.840 -0.146 0.000 0.749 347 L CB -1.353 40.605 42.059 -0.169 0.000 0.901 347 L HN 0.022 nan 8.230 nan 0.000 0.433 348 P HA -0.125 nan 4.420 nan 0.000 0.215 348 P C -1.411 175.783 177.300 -0.175 0.000 1.157 348 P CA 2.057 65.012 63.100 -0.241 0.000 0.874 348 P CB -1.300 30.291 31.700 -0.182 0.000 0.790 349 P HA -0.054 nan 4.420 nan 0.000 0.221 349 P C 1.565 178.838 177.300 -0.045 0.000 1.150 349 P CA 1.078 64.137 63.100 -0.067 0.000 0.800 349 P CB -0.477 31.197 31.700 -0.044 0.000 0.787 350 I N -0.982 119.558 120.570 -0.051 0.000 2.202 350 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 350 I C 2.282 178.404 176.117 0.008 0.000 1.091 350 I CA 1.260 62.570 61.300 0.017 0.000 1.368 350 I CB -0.824 37.208 38.000 0.054 0.000 1.058 350 I HN -0.199 nan 8.210 nan 0.000 0.410 351 V N 0.771 120.536 119.914 -0.248 0.000 2.295 351 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 351 V C 2.379 178.424 176.094 -0.081 0.000 1.049 351 V CA 1.935 63.967 62.300 -0.447 0.000 1.024 351 V CB -0.717 30.593 31.823 -0.855 0.000 0.648 351 V HN 0.436 nan 8.190 nan 0.000 0.447 352 E N -0.267 119.882 120.200 -0.086 0.000 2.058 352 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 352 E C 2.406 179.033 176.600 0.044 0.000 0.997 352 E CA 1.155 57.544 56.400 -0.019 0.000 0.801 352 E CB -0.187 29.489 29.700 -0.040 0.000 0.746 352 E HN 0.420 nan 8.360 nan 0.000 0.450 353 K N 0.650 121.081 120.400 0.051 0.000 2.026 353 K HA -0.120 4.199 4.320 -0.000 0.000 0.208 353 K C 2.264 178.934 176.600 0.117 0.000 1.048 353 K CA 0.838 57.167 56.287 0.070 0.000 0.929 353 K CB -0.413 32.120 32.500 0.056 0.000 0.713 353 K HN 0.036 nan 8.250 nan 0.000 0.439 354 V N 1.925 121.956 119.914 0.195 0.000 2.295 354 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 354 V C 2.498 178.737 176.094 0.242 0.000 1.049 354 V CA 1.629 64.077 62.300 0.247 0.000 1.024 354 V CB -0.406 31.674 31.823 0.429 0.000 0.648 354 V HN 0.344 nan 8.190 nan 0.000 0.447 355 Q N -0.218 119.751 119.800 0.282 0.000 2.181 355 Q HA -0.151 4.189 4.340 -0.000 0.000 0.205 355 Q C 2.290 178.376 176.000 0.144 0.000 0.980 355 Q CA 1.831 57.770 55.803 0.226 0.000 0.862 355 Q CB -0.600 28.255 28.738 0.195 0.000 0.905 355 Q HN 0.681 nan 8.270 nan 0.000 0.429 356 A N 0.726 123.615 122.820 0.115 0.000 2.167 356 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 356 A C 2.152 179.792 177.584 0.092 0.000 1.151 356 A CA 1.454 53.541 52.037 0.084 0.000 0.735 356 A CB -0.529 18.506 19.000 0.060 0.000 0.802 356 A HN 0.497 nan 8.150 nan 0.000 0.467 357 T N -3.984 110.643 114.554 0.123 0.000 2.962 357 T HA 0.257 4.607 4.350 -0.000 0.000 0.270 357 T C 1.643 176.465 174.700 0.203 0.000 1.088 357 T CA 1.335 63.535 62.100 0.167 0.000 1.127 357 T CB -0.368 68.612 68.868 0.187 0.000 0.883 357 T HN 1.601 nan 8.240 nan 0.000 0.493 358 G N 0.839 109.725 108.800 0.142 0.000 2.176 358 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.253 358 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.253 358 G C 0.075 174.983 174.900 0.014 0.000 0.979 358 G CA 0.234 45.370 45.100 0.061 0.000 0.641 358 G HN 0.753 nan 8.290 nan 0.000 0.530 359 H N 0.461 119.542 119.070 0.018 0.000 2.547 359 H HA 0.418 4.974 4.556 -0.000 0.000 0.362 359 H C 0.160 175.481 175.328 -0.011 0.000 1.181 359 H CA 0.135 56.181 56.048 -0.003 0.000 1.376 359 H CB 0.689 30.440 29.762 -0.019 0.000 1.488 359 H HN 0.329 nan 8.280 nan 0.000 0.583 360 Q N 2.239 122.083 119.800 0.073 0.000 2.506 360 Q HA 0.266 4.606 4.340 -0.000 0.000 0.242 360 Q C -0.165 175.798 176.000 -0.062 0.000 1.060 360 Q CA -0.588 55.221 55.803 0.010 0.000 0.826 360 Q CB 1.594 30.331 28.738 -0.001 0.000 1.169 360 Q HN 0.395 nan 8.270 nan 0.000 0.521 361 V N -0.208 119.599 119.914 -0.178 0.000 2.997 361 V HA 0.551 4.671 4.120 -0.000 0.000 0.311 361 V C 0.113 175.974 176.094 -0.390 0.000 1.066 361 V CA -0.846 61.251 62.300 -0.339 0.000 1.039 361 V CB 1.061 32.526 31.823 -0.597 0.000 1.081 361 V HN 0.529 nan 8.190 nan 0.000 0.467 362 I N 1.690 122.054 120.570 -0.343 0.000 2.365 362 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 362 I C -0.726 175.182 176.117 -0.349 0.000 1.004 362 I CA 0.017 61.163 61.300 -0.255 0.000 1.311 362 I CB 1.036 38.945 38.000 -0.151 0.000 1.401 362 I HN 0.696 nan 8.210 nan 0.000 0.491 363 W N 6.405 127.694 121.300 -0.019 0.000 2.308 363 W HA 0.433 5.093 4.660 -0.000 0.000 0.311 363 W C 0.165 176.744 176.519 0.100 0.000 1.088 363 W CA -0.366 57.017 57.345 0.063 0.000 1.309 363 W CB 0.690 30.150 29.460 -0.001 0.000 1.229 363 W HN 0.418 nan 8.180 nan 0.000 0.427 364 Q N 3.242 123.188 119.800 0.244 0.000 2.365 364 Q HA 0.475 4.815 4.340 -0.000 0.000 0.269 364 Q C -1.069 174.769 176.000 -0.271 0.000 1.061 364 Q CA -0.770 54.993 55.803 -0.066 0.000 0.816 364 Q CB 2.271 30.927 28.738 -0.137 0.000 1.325 364 Q HN 0.599 nan 8.270 nan 0.000 0.446 365 C N 3.411 122.272 119.300 -0.733 0.000 2.285 365 C HA 0.380 4.840 4.460 -0.000 0.000 0.335 365 C C -0.584 174.195 174.990 -0.350 0.000 1.267 365 C CA -0.366 58.164 59.018 -0.812 0.000 1.762 365 C CB 0.255 27.162 27.740 -1.388 0.000 2.365 365 C HN 0.804 nan 8.230 nan 0.000 0.527 366 D N 7.346 127.610 120.400 -0.227 0.000 2.473 366 D HA 0.332 4.972 4.640 -0.000 0.000 0.226 366 D C -1.662 174.579 176.300 -0.100 0.000 1.089 366 D CA -2.027 51.883 54.000 -0.150 0.000 0.883 366 D CB 1.337 42.024 40.800 -0.189 0.000 1.029 366 D HN 0.448 nan 8.370 nan 0.000 0.517 367 P HA 0.065 nan 4.420 nan 0.000 0.257 367 P C 0.896 178.149 177.300 -0.079 0.000 1.325 367 P CA 0.088 63.141 63.100 -0.079 0.000 0.850 367 P CB 0.308 31.950 31.700 -0.096 0.000 1.324 368 M N -1.195 118.360 119.600 -0.075 0.000 2.553 368 M HA 0.077 4.557 4.480 -0.000 0.000 0.255 368 M C 1.827 178.070 176.300 -0.096 0.000 1.181 368 M CA 1.400 56.630 55.300 -0.117 0.000 1.210 368 M CB -1.519 30.954 32.600 -0.212 0.000 1.280 368 M HN 0.063 nan 8.290 nan 0.000 0.495 369 H N 0.326 119.375 119.070 -0.035 0.000 2.521 369 H HA 0.068 4.624 4.556 -0.000 0.000 0.286 369 H C 1.954 177.290 175.328 0.013 0.000 1.034 369 H CA 1.342 57.381 56.048 -0.016 0.000 1.278 369 H CB -0.247 29.482 29.762 -0.057 0.000 1.386 369 H HN 0.510 nan 8.280 nan 0.000 0.567 370 G N -1.013 107.855 108.800 0.113 0.000 3.088 370 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.217 370 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.217 370 G C 0.354 175.330 174.900 0.126 0.000 1.159 370 G CA -0.200 44.966 45.100 0.110 0.000 0.760 370 G HN 0.150 nan 8.290 nan 0.000 0.550 382 R N 0.938 121.483 120.500 0.075 0.000 2.784 382 R HA 0.513 4.853 4.340 -0.000 0.000 0.266 382 R C 1.044 177.439 176.300 0.159 0.000 1.044 382 R CA 1.071 57.241 56.100 0.116 0.000 1.151 382 R CB -1.162 29.214 30.300 0.126 0.000 1.037 382 R HN 0.914 nan 8.270 nan 0.000 0.478 383 H N 0.320 119.439 119.070 0.081 0.000 2.293 383 H HA -0.115 4.441 4.556 -0.000 0.000 0.300 383 H C 1.707 177.100 175.328 0.108 0.000 1.082 383 H CA 2.807 58.901 56.048 0.076 0.000 1.308 383 H CB -0.330 29.477 29.762 0.075 0.000 1.375 383 H HN 0.725 nan 8.280 nan 0.000 0.495 384 F N 1.140 121.077 119.950 -0.022 0.000 2.134 384 F HA -0.175 4.351 4.527 -0.000 0.000 0.299 384 F C 1.878 177.653 175.800 -0.042 0.000 1.097 384 F CA 1.828 59.786 58.000 -0.070 0.000 1.264 384 F CB -0.194 38.817 39.000 0.018 0.000 1.001 384 F HN 0.196 nan 8.300 nan 0.000 0.479 385 D N -0.076 120.383 120.400 0.098 0.000 2.178 385 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 385 D C 2.394 178.654 176.300 -0.066 0.000 0.980 385 D CA 1.018 55.028 54.000 0.016 0.000 0.842 385 D CB -0.273 40.580 40.800 0.089 0.000 0.948 385 D HN 0.363 nan 8.370 nan 0.000 0.472 386 R N 0.095 120.558 120.500 -0.062 0.000 2.062 386 R HA 0.036 4.376 4.340 -0.000 0.000 0.229 386 R C 2.565 178.789 176.300 -0.126 0.000 1.128 386 R CA 0.489 56.552 56.100 -0.063 0.000 0.960 386 R CB -0.205 30.081 30.300 -0.023 0.000 0.855 386 R HN 0.204 nan 8.270 nan 0.000 0.432 387 I N 0.393 120.814 120.570 -0.248 0.000 2.118 387 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 387 I C 2.295 178.262 176.117 -0.250 0.000 1.070 387 I CA 1.408 62.539 61.300 -0.282 0.000 1.327 387 I CB -0.348 37.410 38.000 -0.402 0.000 1.034 387 I HN -0.012 nan 8.210 nan 0.000 0.405 388 V N 0.732 120.427 119.914 -0.365 0.000 2.332 388 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 388 V C 2.154 178.187 176.094 -0.102 0.000 1.055 388 V CA 2.381 64.517 62.300 -0.273 0.000 1.038 388 V CB -0.701 30.917 31.823 -0.343 0.000 0.651 388 V HN 0.486 nan 8.190 nan 0.000 0.450 389 D N -0.261 120.094 120.400 -0.074 0.000 2.144 389 D HA -0.215 4.424 4.640 -0.000 0.000 0.200 389 D C 2.187 178.508 176.300 0.035 0.000 0.978 389 D CA 1.441 55.439 54.000 -0.004 0.000 0.833 389 D CB -0.009 40.795 40.800 0.007 0.000 0.961 389 D HN 0.587 nan 8.370 nan 0.000 0.470 390 E N -0.636 119.577 120.200 0.023 0.000 2.072 390 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 390 E C 1.996 178.670 176.600 0.124 0.000 0.985 390 E CA 0.979 57.417 56.400 0.064 0.000 0.801 390 E CB 0.144 29.864 29.700 0.034 0.000 0.750 390 E HN 0.149 nan 8.360 nan 0.000 0.452 391 V N 1.096 121.068 119.914 0.098 0.000 2.343 391 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 391 V C 2.531 178.861 176.094 0.394 0.000 1.051 391 V CA 2.019 64.457 62.300 0.228 0.000 1.036 391 V CB -0.769 31.148 31.823 0.155 0.000 0.654 391 V HN 0.313 nan 8.190 nan 0.000 0.451 392 Q N 1.377 121.301 119.800 0.206 0.000 2.030 392 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 392 Q C 2.216 178.349 176.000 0.222 0.000 0.986 392 Q CA 2.478 58.388 55.803 0.178 0.000 0.843 392 Q CB -1.096 27.686 28.738 0.073 0.000 0.904 392 Q HN 0.520 nan 8.270 nan 0.000 0.420 393 G N -0.382 108.521 108.800 0.171 0.000 2.440 393 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 393 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 393 G C 1.324 176.310 174.900 0.143 0.000 1.154 393 G CA 0.752 45.928 45.100 0.125 0.000 0.767 393 G HN 0.477 nan 8.290 nan 0.000 0.552 394 F N 0.700 120.690 119.950 0.066 0.000 2.095 394 F HA -0.028 4.499 4.527 -0.000 0.000 0.298 394 F C 2.288 178.119 175.800 0.051 0.000 1.104 394 F CA 1.460 59.478 58.000 0.030 0.000 1.232 394 F CB -0.253 38.799 39.000 0.085 0.000 0.987 394 F HN 0.118 nan 8.300 nan 0.000 0.475 395 F N 1.135 121.181 119.950 0.160 0.000 2.134 395 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 395 F C 2.431 178.207 175.800 -0.041 0.000 1.097 395 F CA 1.991 60.026 58.000 0.058 0.000 1.264 395 F CB -0.805 38.274 39.000 0.132 0.000 1.001 395 F HN 0.022 nan 8.300 nan 0.000 0.479 396 E N -0.256 120.029 120.200 0.142 0.000 2.085 396 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 396 E C 2.328 178.877 176.600 -0.085 0.000 0.994 396 E CA 1.609 58.029 56.400 0.034 0.000 0.801 396 E CB -0.417 29.302 29.700 0.032 0.000 0.743 396 E HN 0.176 nan 8.360 nan 0.000 0.453 397 V N 1.260 121.053 119.914 -0.202 0.000 2.287 397 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 397 V C 2.149 177.973 176.094 -0.450 0.000 1.053 397 V CA 1.895 63.979 62.300 -0.360 0.000 1.027 397 V CB -0.591 30.922 31.823 -0.518 0.000 0.646 397 V HN 0.363 nan 8.190 nan 0.000 0.447 398 H N -0.074 118.759 119.070 -0.395 0.000 2.389 398 H HA -0.018 4.538 4.556 -0.000 0.000 0.299 398 H C 2.578 177.789 175.328 -0.195 0.000 1.081 398 H CA 1.192 57.010 56.048 -0.383 0.000 1.345 398 H CB -0.078 29.348 29.762 -0.559 0.000 1.393 398 H HN 0.282 nan 8.280 nan 0.000 0.520 399 R N 0.924 121.413 120.500 -0.019 0.000 2.073 399 R HA -0.027 4.313 4.340 -0.000 0.000 0.234 399 R C 2.446 178.737 176.300 -0.016 0.000 1.134 399 R CA 1.099 57.208 56.100 0.016 0.000 0.952 399 R CB -1.118 29.210 30.300 0.047 0.000 0.850 399 R HN 0.313 nan 8.270 nan 0.000 0.433 400 A N 0.911 123.700 122.820 -0.050 0.000 1.933 400 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 400 A C 2.272 179.818 177.584 -0.063 0.000 1.175 400 A CA 1.172 53.175 52.037 -0.056 0.000 0.628 400 A CB -0.457 18.498 19.000 -0.074 0.000 0.814 400 A HN 0.224 nan 8.150 nan 0.000 0.444 401 L N -1.519 119.648 121.223 -0.093 0.000 2.509 401 L HA 0.180 4.520 4.340 -0.000 0.000 0.222 401 L C 1.692 178.542 176.870 -0.033 0.000 1.123 401 L CA 0.510 55.300 54.840 -0.083 0.000 0.856 401 L CB -0.226 41.744 42.059 -0.149 0.000 0.985 401 L HN 0.583 nan 8.230 nan 0.000 0.456 402 G N 0.953 109.746 108.800 -0.012 0.000 2.153 402 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.252 402 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.252 402 G C 0.385 175.312 174.900 0.045 0.000 0.994 402 G CA 0.524 45.636 45.100 0.019 0.000 0.698 402 G HN 0.411 nan 8.290 nan 0.000 0.521 403 T N -2.967 111.619 114.554 0.053 0.000 2.897 403 T HA 0.608 4.958 4.350 -0.000 0.000 0.278 403 T C 0.016 174.761 174.700 0.075 0.000 0.981 403 T CA -0.428 61.733 62.100 0.101 0.000 0.973 403 T CB 1.929 70.865 68.868 0.114 0.000 1.092 403 T HN 0.392 nan 8.240 nan 0.000 0.543 404 H N 1.990 121.025 119.070 -0.058 0.000 2.552 404 H HA 0.295 4.851 4.556 -0.000 0.000 0.311 404 H C -2.417 172.636 175.328 -0.457 0.000 1.071 404 H CA -2.410 53.558 56.048 -0.133 0.000 1.307 404 H CB 1.178 30.936 29.762 -0.006 0.000 1.416 404 H HN 0.350 nan 8.280 nan 0.000 0.464 405 P HA 0.082 nan 4.420 nan 0.000 0.277 405 P C 0.701 177.619 177.300 -0.637 0.000 1.354 405 P CA 0.002 62.538 63.100 -0.940 0.000 0.891 405 P CB 0.724 31.776 31.700 -1.079 0.000 1.058 406 G N 2.429 110.985 108.800 -0.407 0.000 2.603 406 G HA2 0.375 4.335 3.960 -0.000 0.000 0.214 406 G HA3 0.375 4.335 3.960 -0.000 0.000 0.214 406 G C 0.579 175.131 174.900 -0.581 0.000 1.140 406 G CA 0.411 45.272 45.100 -0.398 0.000 0.800 406 G HN 0.736 nan 8.290 nan 0.000 0.533 407 G N -0.706 107.704 108.800 -0.649 0.000 0.000 407 G HA2 0.479 4.439 3.960 -0.000 0.000 0.000 407 G HA3 0.479 4.439 3.960 -0.000 0.000 0.000 407 G C -1.583 172.982 174.900 -0.558 0.000 0.000 407 G CA -0.399 44.009 45.100 -1.153 0.000 0.000 407 G HN 0.716 nan 8.290 nan 0.000 0.000 408 I N -2.615 117.715 120.570 -0.400 0.000 2.828 408 I HA 0.795 4.965 4.170 -0.000 0.000 0.302 408 I C -1.040 174.997 176.117 -0.133 0.000 1.101 408 I CA -1.141 60.059 61.300 -0.168 0.000 1.031 408 I CB 2.698 40.715 38.000 0.028 0.000 1.231 408 I HN 0.677 nan 8.210 nan 0.000 0.427 409 H N 4.147 123.094 119.070 -0.206 0.000 2.970 409 H HA 0.697 5.253 4.556 -0.000 0.000 0.315 409 H C -1.478 173.761 175.328 -0.148 0.000 0.992 409 H CA -0.769 55.152 56.048 -0.211 0.000 1.363 409 H CB 1.622 31.199 29.762 -0.309 0.000 1.532 409 H HN 0.697 nan 8.280 nan 0.000 0.514 410 V N 1.629 121.636 119.914 0.154 0.000 2.823 410 V HA 0.555 4.675 4.120 -0.000 0.000 0.312 410 V C -0.386 175.770 176.094 0.103 0.000 1.072 410 V CA -0.961 61.386 62.300 0.079 0.000 0.937 410 V CB 2.182 34.022 31.823 0.028 0.000 1.013 410 V HN 0.754 nan 8.190 nan 0.000 0.430 411 E N 2.939 123.172 120.200 0.055 0.000 2.158 411 E HA 0.623 4.973 4.350 -0.000 0.000 0.271 411 E C -1.195 175.433 176.600 0.047 0.000 0.911 411 E CA -0.596 55.841 56.400 0.062 0.000 0.767 411 E CB 2.399 32.116 29.700 0.029 0.000 1.120 411 E HN 0.697 nan 8.360 nan 0.000 0.405 412 I N 2.147 122.747 120.570 0.051 0.000 2.359 412 I HA 0.314 4.484 4.170 -0.000 0.000 0.294 412 I C 0.396 176.545 176.117 0.053 0.000 0.987 412 I CA -0.176 61.149 61.300 0.041 0.000 1.225 412 I CB 1.833 39.843 38.000 0.016 0.000 1.366 412 I HN 0.406 nan 8.210 nan 0.000 0.466 444 L N 2.434 123.739 121.223 0.137 0.000 2.329 444 L HA 0.518 4.858 4.340 -0.000 0.000 0.279 444 L C 0.102 177.027 176.870 0.090 0.000 1.014 444 L CA -1.147 53.773 54.840 0.133 0.000 0.814 444 L CB 1.914 44.040 42.059 0.112 0.000 1.257 444 L HN 1.044 nan 8.230 nan 0.000 0.424 445 N N 0.285 119.034 118.700 0.082 0.000 2.364 445 N HA 0.134 4.873 4.740 -0.000 0.000 0.264 445 N C 0.621 176.147 175.510 0.028 0.000 1.263 445 N CA -0.407 52.672 53.050 0.048 0.000 0.959 445 N CB 0.258 38.769 38.487 0.039 0.000 1.204 445 N HN 0.447 nan 8.380 nan 0.000 0.550 446 T N -0.704 113.852 114.554 0.003 0.000 2.777 446 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 446 T C 1.538 176.203 174.700 -0.059 0.000 1.040 446 T CA 1.466 63.546 62.100 -0.033 0.000 1.141 446 T CB -0.427 68.410 68.868 -0.050 0.000 0.868 446 T HN 0.626 nan 8.240 nan 0.000 0.444 447 Q N 0.520 120.306 119.800 -0.023 0.000 2.096 447 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 447 Q C 2.346 178.328 176.000 -0.031 0.000 0.982 447 Q CA 1.511 57.310 55.803 -0.008 0.000 0.850 447 Q CB -0.044 28.760 28.738 0.111 0.000 0.901 447 Q HN 0.588 nan 8.270 nan 0.000 0.422 448 Q N -0.592 119.214 119.800 0.010 0.000 2.123 448 Q HA -0.124 4.216 4.340 -0.000 0.000 0.199 448 Q C 2.255 178.350 176.000 0.158 0.000 0.966 448 Q CA 1.529 57.369 55.803 0.062 0.000 0.845 448 Q CB 0.054 28.858 28.738 0.111 0.000 0.907 448 Q HN 0.467 nan 8.270 nan 0.000 0.439 449 S N 0.627 116.366 115.700 0.066 0.000 2.383 449 S HA -0.143 4.327 4.470 -0.000 0.000 0.227 449 S C 1.907 176.489 174.600 -0.031 0.000 1.026 449 S CA 0.733 58.955 58.200 0.037 0.000 0.981 449 S CB -0.333 62.870 63.200 0.005 0.000 0.818 449 S HN 0.222 nan 8.310 nan 0.000 0.472 450 L N 2.093 123.230 121.223 -0.143 0.000 2.017 450 L HA 0.013 4.353 4.340 -0.000 0.000 0.208 450 L C 2.530 179.286 176.870 -0.189 0.000 1.073 450 L CA 1.834 56.506 54.840 -0.280 0.000 0.745 450 L CB -0.927 40.753 42.059 -0.633 0.000 0.894 450 L HN 0.345 nan 8.230 nan 0.000 0.432 451 E N -0.913 119.181 120.200 -0.177 0.000 2.085 451 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 451 E C 2.127 178.780 176.600 0.089 0.000 0.994 451 E CA 1.477 57.797 56.400 -0.134 0.000 0.801 451 E CB -0.364 29.382 29.700 0.076 0.000 0.743 451 E HN 0.358 nan 8.360 nan 0.000 0.453 452 L N 0.911 122.248 121.223 0.189 0.000 2.083 452 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 452 L C 2.198 179.100 176.870 0.054 0.000 1.083 452 L CA 1.950 56.863 54.840 0.122 0.000 0.752 452 L CB -0.556 41.543 42.059 0.066 0.000 0.899 452 L HN 0.042 nan 8.230 nan 0.000 0.433 453 A N -1.057 121.766 122.820 0.006 0.000 1.902 453 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 453 A C 2.132 179.659 177.584 -0.096 0.000 1.181 453 A CA 1.913 53.911 52.037 -0.066 0.000 0.623 453 A CB -1.088 17.824 19.000 -0.147 0.000 0.818 453 A HN 0.444 nan 8.150 nan 0.000 0.443 454 F N -0.009 119.893 119.950 -0.079 0.000 2.102 454 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 454 F C 2.158 178.000 175.800 0.070 0.000 1.105 454 F CA 1.621 59.616 58.000 -0.008 0.000 1.239 454 F CB -0.417 38.517 39.000 -0.110 0.000 0.991 454 F HN 0.097 nan 8.300 nan 0.000 0.474 455 L N -1.008 120.375 121.223 0.265 0.000 2.093 455 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 455 L C 2.266 179.146 176.870 0.016 0.000 1.085 455 L CA 0.593 55.545 54.840 0.187 0.000 0.755 455 L CB -0.750 41.426 42.059 0.195 0.000 0.904 455 L HN -0.041 nan 8.230 nan 0.000 0.435 456 V N 0.011 119.907 119.914 -0.029 0.000 2.427 456 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 456 V C 2.776 178.743 176.094 -0.211 0.000 1.051 456 V CA 1.561 63.772 62.300 -0.148 0.000 1.048 456 V CB -0.868 30.938 31.823 -0.028 0.000 0.666 456 V HN 0.457 nan 8.190 nan 0.000 0.456 457 A N -0.018 122.730 122.820 -0.120 0.000 1.917 457 A HA -0.294 4.025 4.320 -0.000 0.000 0.219 457 A C 2.179 179.718 177.584 -0.075 0.000 1.182 457 A CA 2.169 54.141 52.037 -0.107 0.000 0.633 457 A CB -0.503 18.465 19.000 -0.052 0.000 0.819 457 A HN 0.635 nan 8.150 nan 0.000 0.448 458 E N -0.835 119.354 120.200 -0.018 0.000 2.110 458 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 458 E C 2.069 178.599 176.600 -0.116 0.000 0.988 458 E CA 1.380 57.771 56.400 -0.014 0.000 0.804 458 E CB -0.268 29.461 29.700 0.048 0.000 0.745 458 E HN 0.693 nan 8.360 nan 0.000 0.458 459 M N 0.295 119.741 119.600 -0.256 0.000 2.159 459 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 459 M C 2.133 178.173 176.300 -0.433 0.000 1.063 459 M CA 1.194 56.206 55.300 -0.480 0.000 1.110 459 M CB -0.113 31.885 32.600 -1.003 0.000 1.374 459 M HN 0.102 nan 8.290 nan 0.000 0.411 460 L N -0.667 120.355 121.223 -0.336 0.000 2.275 460 L HA -0.143 4.197 4.340 -0.000 0.000 0.215 460 L C 2.466 179.309 176.870 -0.044 0.000 1.119 460 L CA 0.838 55.613 54.840 -0.108 0.000 0.790 460 L CB -0.408 41.540 42.059 -0.185 0.000 0.919 460 L HN 0.239 nan 8.230 nan 0.000 0.443 461 R N 0.421 120.880 120.500 -0.068 0.000 2.070 461 R HA 0.078 4.418 4.340 -0.000 0.000 0.227 461 R C 0.681 176.975 176.300 -0.010 0.000 1.147 461 R CA 1.460 57.536 56.100 -0.040 0.000 0.924 461 R CB -0.408 29.874 30.300 -0.031 0.000 0.827 461 R HN 0.431 nan 8.270 nan 0.000 0.431 462 D N 0.000 120.396 120.400 -0.007 0.000 6.856 462 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 462 D CA 0.000 nan 54.000 nan 0.000 0.868 462 D CB 0.000 nan 40.800 nan 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683