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 1oyh_1_I DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYR SPEKXXXXXX XXXXXIPEAT NRRVWELSKA DATA SEQUENCE NSRFATTFYQ HLADSKNDND NIFLSPLSIS TAFAMTKLGA cNDTLQQLME DATA SEQUENCE VFKFDTISEK TSDQIHFFFA KLNcRLYRKA NKASKLVSAN RLFGDKSLTF DATA SEQUENCE NETYQDISEL VYGAKLQPLD FKENAEQSRA AINKWVSNKT EGRITDVIPS DATA SEQUENCE EAINELTVLV LVNTIYFKGL WKSKFSPENT RKELFYKADG EScSASMMYQ DATA SEQUENCE EGKFRYRRVA EGTQVLELPF KGDDITMVLI LPKPEKSLAK VEKELTPEVL DATA SEQUENCE QEWLDELEEM MLVVHMPRFR IEDGFSLKEQ LQDMGLVDLF SPEKSKLPGI DATA SEQUENCE VAEGRDDLYV SDAFHKAFLE VNEEGSAAAA STAVVIAGRS LNPNRVTFKA DATA SEQUENCE NRPFLVFIRE VPLNTIIFMG RVANPcV 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.102 176.094 0.013 0.000 1.182 5 V CA 0.000 62.308 62.300 0.013 0.000 1.235 5 V CB 0.000 31.829 31.823 0.011 0.000 1.184 6 D N 3.439 123.851 120.400 0.020 0.000 2.493 6 D HA 0.443 5.107 4.640 0.040 0.000 0.239 6 D C 1.202 177.517 176.300 0.025 0.000 1.049 6 D CA -0.833 53.178 54.000 0.019 0.000 1.008 6 D CB 2.566 43.379 40.800 0.021 0.000 1.398 6 D HN 0.451 nan 8.370 nan 0.000 0.513 7 I N 0.132 120.713 120.570 0.019 0.000 2.300 7 I HA -0.322 3.873 4.170 0.040 0.000 0.252 7 I C 1.544 177.679 176.117 0.030 0.000 1.119 7 I CA 1.396 62.706 61.300 0.017 0.000 1.384 7 I CB 0.123 38.130 38.000 0.012 0.000 1.062 7 I HN 0.402 nan 8.210 nan 0.000 0.426 8 c N 0.116 118.736 118.600 0.035 0.000 2.514 8 c HA 0.029 4.624 4.570 0.040 0.000 0.271 8 c C 2.243 176.362 174.090 0.048 0.000 1.399 8 c CA 1.119 57.469 56.329 0.036 0.000 1.765 8 c CB -1.130 41.400 42.510 0.033 0.000 1.893 8 c HN 0.677 nan 8.230 nan 0.000 0.531 9 T N -1.947 112.639 114.554 0.053 0.000 3.085 9 T HA 0.446 4.821 4.350 0.040 0.000 0.264 9 T C 0.524 175.274 174.700 0.083 0.000 1.019 9 T CA 0.279 62.416 62.100 0.062 0.000 0.910 9 T CB -0.037 68.857 68.868 0.044 0.000 1.059 9 T HN 0.340 nan 8.240 nan 0.000 0.542 10 A N 1.776 124.656 122.820 0.100 0.000 2.511 10 A HA 0.507 4.851 4.320 0.040 0.000 0.242 10 A C 0.154 177.867 177.584 0.215 0.000 1.069 10 A CA -0.052 52.061 52.037 0.126 0.000 0.763 10 A CB 0.138 19.213 19.000 0.125 0.000 1.001 10 A HN 0.530 nan 8.150 nan 0.000 0.498 11 K N 2.564 123.023 120.400 0.099 0.000 2.281 11 K HA 0.444 4.788 4.320 0.040 0.000 0.242 11 K C -2.156 174.321 176.600 -0.205 0.000 0.971 11 K CA -1.913 54.355 56.287 -0.033 0.000 0.834 11 K CB 1.633 34.103 32.500 -0.050 0.000 1.181 11 K HN 0.236 nan 8.250 nan 0.000 0.435 12 P HA -0.276 nan 4.420 nan 0.000 0.217 12 P C 0.787 177.958 177.300 -0.215 0.000 1.151 12 P CA 1.331 64.126 63.100 -0.507 0.000 0.849 12 P CB 0.177 31.494 31.700 -0.637 0.000 0.787 13 R N -0.255 120.146 120.500 -0.165 0.000 2.316 13 R HA -0.073 4.292 4.340 0.040 0.000 0.202 13 R C 0.587 176.852 176.300 -0.058 0.000 1.029 13 R CA 1.418 57.462 56.100 -0.093 0.000 1.018 13 R CB -0.906 29.348 30.300 -0.076 0.000 0.888 13 R HN 0.159 nan 8.270 nan 0.000 0.471 14 D N 0.448 120.818 120.400 -0.050 0.000 2.346 14 D HA 0.069 4.733 4.640 0.040 0.000 0.206 14 D C -0.005 176.291 176.300 -0.006 0.000 1.001 14 D CA 0.391 54.381 54.000 -0.017 0.000 0.871 14 D CB 0.366 41.169 40.800 0.004 0.000 0.943 14 D HN 0.180 nan 8.370 nan 0.000 0.518 15 I N 2.933 123.497 120.570 -0.011 0.000 2.779 15 I HA 0.150 4.344 4.170 0.040 0.000 0.294 15 I C -2.237 173.874 176.117 -0.010 0.000 1.241 15 I CA -2.270 59.034 61.300 0.007 0.000 1.069 15 I CB 0.734 38.768 38.000 0.057 0.000 1.772 15 I HN -0.257 nan 8.210 nan 0.000 0.582 16 P HA 0.239 nan 4.420 nan 0.000 0.271 16 P C -0.433 176.858 177.300 -0.015 0.000 1.220 16 P CA -0.076 63.012 63.100 -0.020 0.000 0.768 16 P CB 1.022 32.711 31.700 -0.018 0.000 0.848 17 M N 0.982 120.574 119.600 -0.012 0.000 2.043 17 M HA 0.438 4.943 4.480 0.040 0.000 0.322 17 M C 0.620 176.912 176.300 -0.012 0.000 0.962 17 M CA -0.704 54.590 55.300 -0.010 0.000 0.927 17 M CB -0.841 31.771 32.600 0.021 0.000 1.466 17 M HN 0.541 nan 8.290 nan 0.000 0.412 18 N N 4.838 123.526 118.700 -0.020 0.000 2.374 18 N HA 0.390 5.154 4.740 0.040 0.000 0.269 18 N C -1.285 174.217 175.510 -0.014 0.000 1.310 18 N CA -0.433 52.606 53.050 -0.019 0.000 0.877 18 N CB -0.660 37.812 38.487 -0.024 0.000 1.096 18 N HN 0.848 nan 8.380 nan 0.000 0.484 19 P HA 0.119 nan 4.420 nan 0.000 0.302 19 P C 1.469 178.768 177.300 -0.003 0.000 1.301 19 P CA 1.780 64.878 63.100 -0.003 0.000 0.770 19 P CB -0.017 31.680 31.700 -0.005 0.000 1.458 20 M N -4.018 115.583 119.600 0.001 0.000 2.880 20 M HA -0.203 4.301 4.480 0.040 0.000 0.173 20 M C 0.550 176.855 176.300 0.008 0.000 0.657 20 M CA 1.909 57.210 55.300 0.002 0.000 0.661 20 M CB -3.068 29.530 32.600 -0.004 0.000 2.393 20 M HN 0.442 nan 8.290 nan 0.000 0.280 21 c N 1.251 119.858 118.600 0.011 0.000 3.362 21 c HA 0.774 5.368 4.570 0.040 0.000 0.276 21 c C -0.055 174.061 174.090 0.044 0.000 1.102 21 c CA -0.782 55.561 56.329 0.023 0.000 1.361 21 c CB -0.255 42.254 42.510 -0.001 0.000 1.822 21 c HN 0.742 nan 8.230 nan 0.000 0.538 22 I N 1.666 122.275 120.570 0.065 0.000 2.656 22 I HA 0.336 4.531 4.170 0.040 0.000 0.292 22 I C -1.261 174.934 176.117 0.130 0.000 1.144 22 I CA -0.679 60.671 61.300 0.083 0.000 1.038 22 I CB 2.307 40.331 38.000 0.039 0.000 1.244 22 I HN 0.390 nan 8.210 nan 0.000 0.420 23 Y N 5.436 125.755 120.300 0.031 0.000 2.341 23 Y HA 0.556 5.130 4.550 0.040 0.000 0.337 23 Y C -0.263 175.660 175.900 0.039 0.000 1.014 23 Y CA -0.853 57.270 58.100 0.038 0.000 1.111 23 Y CB 1.173 39.666 38.460 0.055 0.000 1.194 23 Y HN 0.449 nan 8.280 nan 0.000 0.462 24 R N 3.613 123.721 120.500 -0.653 0.000 2.233 24 R HA 0.392 4.756 4.340 0.040 0.000 0.334 24 R C -0.712 175.173 176.300 -0.692 0.000 1.037 24 R CA -0.088 55.738 56.100 -0.457 0.000 0.920 24 R CB 0.265 30.396 30.300 -0.281 0.000 1.137 24 R HN 0.704 nan 8.270 nan 0.000 0.492 25 S N 6.232 121.727 115.700 -0.340 0.000 2.576 25 S HA 0.245 4.739 4.470 0.040 0.000 0.276 25 S C -2.052 172.509 174.600 -0.064 0.000 1.339 25 S CA -0.807 57.332 58.200 -0.101 0.000 1.039 25 S CB 0.667 63.956 63.200 0.149 0.000 0.902 25 S HN 0.548 nan 8.310 nan 0.000 0.516 26 P HA 0.239 nan 4.420 nan 0.000 0.271 26 P C -0.222 177.090 177.300 0.020 0.000 1.244 26 P CA -0.163 62.941 63.100 0.006 0.000 0.793 26 P CB 0.292 32.015 31.700 0.039 0.000 0.984 27 E N -0.707 119.501 120.200 0.014 0.000 2.280 27 E HA 0.622 4.997 4.350 0.040 0.000 0.264 27 E C 0.185 176.798 176.600 0.021 0.000 1.064 27 E CA -0.410 56.001 56.400 0.018 0.000 0.900 27 E CB 0.404 30.112 29.700 0.013 0.000 1.123 27 E HN 0.843 nan 8.360 nan 0.000 0.418 41 P HA 0.604 nan 4.420 nan 0.000 0.276 41 P C -0.154 176.992 177.300 -0.257 0.000 1.230 41 P CA 1.023 63.935 63.100 -0.313 0.000 0.776 41 P CB 0.367 31.896 31.700 -0.284 0.000 0.888 42 E N 1.487 121.588 120.200 -0.165 0.000 2.404 42 E HA 0.401 4.775 4.350 0.040 0.000 0.261 42 E C 1.076 177.613 176.600 -0.105 0.000 1.074 42 E CA 0.145 56.471 56.400 -0.123 0.000 0.917 42 E CB -0.006 29.642 29.700 -0.086 0.000 0.965 42 E HN 0.891 nan 8.360 nan 0.000 0.433 43 A N 1.105 123.875 122.820 -0.084 0.000 3.396 43 A HA -0.135 4.209 4.320 0.040 0.000 0.267 43 A C 1.008 178.551 177.584 -0.068 0.000 1.139 43 A CA 1.529 53.529 52.037 -0.062 0.000 1.115 43 A CB -2.281 16.690 19.000 -0.048 0.000 1.133 43 A HN 1.238 nan 8.150 nan 0.000 0.920 44 T N 0.888 115.379 114.554 -0.105 0.000 2.829 44 T HA 0.419 4.794 4.350 0.040 0.000 0.282 44 T C 0.015 174.664 174.700 -0.085 0.000 0.990 44 T CA -0.216 61.821 62.100 -0.104 0.000 1.028 44 T CB 1.075 69.833 68.868 -0.183 0.000 0.951 44 T HN 0.468 nan 8.240 nan 0.000 0.460 45 N N 1.498 120.178 118.700 -0.034 0.000 2.405 45 N HA 0.157 4.921 4.740 0.040 0.000 0.260 45 N C 1.731 177.260 175.510 0.032 0.000 1.152 45 N CA -0.475 52.569 53.050 -0.011 0.000 0.948 45 N CB 0.388 38.864 38.487 -0.018 0.000 1.111 45 N HN 0.669 nan 8.380 nan 0.000 0.485 46 R N 2.822 123.343 120.500 0.036 0.000 2.154 46 R HA -0.246 4.118 4.340 0.040 0.000 0.248 46 R C 2.383 178.703 176.300 0.035 0.000 1.155 46 R CA 2.333 58.508 56.100 0.124 0.000 0.979 46 R CB -1.732 28.620 30.300 0.087 0.000 0.869 46 R HN 0.773 nan 8.270 nan 0.000 0.452 47 R N 0.549 121.003 120.500 -0.076 0.000 2.075 47 R HA -0.007 4.358 4.340 0.040 0.000 0.230 47 R C 2.889 178.963 176.300 -0.375 0.000 1.140 47 R CA 2.438 58.342 56.100 -0.327 0.000 0.928 47 R CB -1.813 28.423 30.300 -0.107 0.000 0.834 47 R HN 1.036 nan 8.270 nan 0.000 0.429 48 V N -2.897 116.910 119.914 -0.179 0.000 2.720 48 V HA -0.135 4.009 4.120 0.040 0.000 0.256 48 V C 2.143 178.187 176.094 -0.084 0.000 1.082 48 V CA 1.686 63.892 62.300 -0.157 0.000 1.101 48 V CB -0.796 30.966 31.823 -0.101 0.000 0.693 48 V HN 0.699 nan 8.190 nan 0.000 0.479 49 W N 1.289 122.472 121.300 -0.195 0.000 2.381 49 W HA 0.050 4.737 4.660 0.045 0.000 0.301 49 W C 2.339 178.763 176.519 -0.159 0.000 1.205 49 W CA 1.705 58.961 57.345 -0.148 0.000 1.285 49 W CB 0.002 29.392 29.460 -0.117 0.000 1.133 49 W HN 0.195 nan 8.180 nan 0.000 0.521 50 E N 0.279 120.285 120.200 -0.324 0.000 2.047 50 E HA -0.206 4.168 4.350 0.040 0.000 0.191 50 E C 2.120 178.496 176.600 -0.374 0.000 0.987 50 E CA 1.434 57.551 56.400 -0.471 0.000 0.799 50 E CB -1.184 28.281 29.700 -0.392 0.000 0.752 50 E HN 0.337 nan 8.360 nan 0.000 0.449 51 L N 1.560 122.576 121.223 -0.344 0.000 2.079 51 L HA -0.181 4.183 4.340 0.040 0.000 0.210 51 L C 2.256 179.017 176.870 -0.181 0.000 1.081 51 L CA 2.207 56.910 54.840 -0.229 0.000 0.752 51 L CB -0.784 41.091 42.059 -0.306 0.000 0.896 51 L HN 0.070 nan 8.230 nan 0.000 0.433 52 S N -1.179 114.394 115.700 -0.211 0.000 2.382 52 S HA -0.213 4.281 4.470 0.040 0.000 0.228 52 S C 1.974 176.482 174.600 -0.153 0.000 1.027 52 S CA 1.247 59.358 58.200 -0.148 0.000 0.991 52 S CB -0.542 62.596 63.200 -0.103 0.000 0.823 52 S HN 0.512 nan 8.310 nan 0.000 0.469 53 K N 1.782 122.017 120.400 -0.276 0.000 2.097 53 K HA 0.178 4.522 4.320 0.040 0.000 0.205 53 K C 2.495 179.015 176.600 -0.135 0.000 1.050 53 K CA 1.062 57.194 56.287 -0.258 0.000 0.938 53 K CB -0.492 31.744 32.500 -0.439 0.000 0.718 53 K HN 0.459 nan 8.250 nan 0.000 0.442 54 A N 1.771 124.532 122.820 -0.098 0.000 1.898 54 A HA -0.168 4.176 4.320 0.040 0.000 0.216 54 A C 1.769 179.382 177.584 0.048 0.000 1.181 54 A CA 1.556 53.593 52.037 -0.001 0.000 0.620 54 A CB -0.448 18.605 19.000 0.087 0.000 0.819 54 A HN 0.206 nan 8.150 nan 0.000 0.442 55 N N 0.264 119.007 118.700 0.070 0.000 2.188 55 N HA -0.075 4.689 4.740 0.040 0.000 0.184 55 N C 1.812 177.401 175.510 0.132 0.000 1.018 55 N CA 1.495 54.629 53.050 0.139 0.000 0.858 55 N CB -0.396 38.168 38.487 0.128 0.000 0.989 55 N HN 0.398 nan 8.380 nan 0.000 0.426 56 S N 0.505 116.236 115.700 0.051 0.000 2.453 56 S HA 0.076 4.570 4.470 0.040 0.000 0.231 56 S C 1.838 176.456 174.600 0.030 0.000 1.005 56 S CA 0.437 58.660 58.200 0.038 0.000 0.949 56 S CB 0.247 63.444 63.200 -0.005 0.000 0.774 56 S HN 0.326 nan 8.310 nan 0.000 0.510 57 R N -0.139 120.378 120.500 0.028 0.000 2.090 57 R HA 0.013 4.378 4.340 0.040 0.000 0.228 57 R C 2.007 178.335 176.300 0.047 0.000 1.110 57 R CA 1.236 57.346 56.100 0.018 0.000 0.973 57 R CB -0.369 29.934 30.300 0.004 0.000 0.869 57 R HN 0.438 nan 8.270 nan 0.000 0.440 58 F N 1.675 121.609 119.950 -0.027 0.000 2.146 58 F HA -0.066 4.460 4.527 -0.002 0.000 0.298 58 F C 2.162 177.997 175.800 0.058 0.000 1.096 58 F CA 0.999 58.988 58.000 -0.017 0.000 1.275 58 F CB -0.445 38.540 39.000 -0.025 0.000 1.008 58 F HN -0.041 nan 8.300 nan 0.000 0.480 59 A N 0.269 123.025 122.820 -0.108 0.000 1.859 59 A HA -0.277 4.068 4.320 0.040 0.000 0.217 59 A C 2.327 179.880 177.584 -0.052 0.000 1.198 59 A CA 3.145 55.106 52.037 -0.126 0.000 0.629 59 A CB -1.739 17.281 19.000 0.033 0.000 0.830 59 A HN 0.548 nan 8.150 nan 0.000 0.446 60 T N -3.858 110.703 114.554 0.012 0.000 2.821 60 T HA -0.110 4.265 4.350 0.040 0.000 0.267 60 T C 1.817 176.553 174.700 0.060 0.000 1.046 60 T CA 2.070 64.217 62.100 0.079 0.000 1.139 60 T CB -0.932 67.968 68.868 0.055 0.000 0.871 60 T HN 0.311 nan 8.240 nan 0.000 0.454 61 T N 1.199 115.730 114.554 -0.038 0.000 2.674 61 T HA 0.026 4.400 4.350 0.040 0.000 0.265 61 T C 1.291 175.939 174.700 -0.087 0.000 1.039 61 T CA 1.452 63.517 62.100 -0.059 0.000 1.150 61 T CB -0.648 68.173 68.868 -0.079 0.000 0.864 61 T HN 0.456 nan 8.240 nan 0.000 0.427 62 F N 0.364 120.048 119.950 -0.445 0.000 2.171 62 F HA -0.127 4.432 4.527 0.055 0.000 0.300 62 F C 2.125 177.827 175.800 -0.163 0.000 1.090 62 F CA 1.138 58.875 58.000 -0.438 0.000 1.293 62 F CB -0.323 38.139 39.000 -0.896 0.000 1.013 62 F HN 0.196 nan 8.300 nan 0.000 0.486 63 Y N 1.142 121.464 120.300 0.036 0.000 2.181 63 Y HA -0.238 4.338 4.550 0.045 0.000 0.288 63 Y C 2.432 178.329 175.900 -0.006 0.000 1.146 63 Y CA 2.094 60.224 58.100 0.049 0.000 1.164 63 Y CB -0.557 37.929 38.460 0.045 0.000 0.982 63 Y HN 0.178 nan 8.280 nan 0.000 0.515 64 Q N -1.464 118.358 119.800 0.037 0.000 2.172 64 Q HA -0.222 4.142 4.340 0.040 0.000 0.200 64 Q C 2.105 178.022 176.000 -0.139 0.000 0.964 64 Q CA 1.245 57.030 55.803 -0.030 0.000 0.855 64 Q CB -0.344 28.419 28.738 0.041 0.000 0.918 64 Q HN 0.589 nan 8.270 nan 0.000 0.444 65 H N 0.647 119.574 119.070 -0.238 0.000 2.363 65 H HA -0.090 4.489 4.556 0.039 0.000 0.301 65 H C 2.060 177.195 175.328 -0.322 0.000 1.074 65 H CA 1.113 56.997 56.048 -0.272 0.000 1.354 65 H CB 0.199 29.764 29.762 -0.329 0.000 1.397 65 H HN 0.196 nan 8.280 nan 0.000 0.516 66 L N 1.193 122.242 121.223 -0.290 0.000 1.988 66 L HA -0.032 4.332 4.340 0.040 0.000 0.207 66 L C 2.675 179.384 176.870 -0.268 0.000 1.071 66 L CA 2.206 56.884 54.840 -0.270 0.000 0.744 66 L CB -1.238 40.668 42.059 -0.254 0.000 0.893 66 L HN 0.237 nan 8.230 nan 0.000 0.433 67 A N -1.267 121.305 122.820 -0.414 0.000 2.070 67 A HA -0.245 4.099 4.320 0.040 0.000 0.220 67 A C 1.979 179.438 177.584 -0.207 0.000 1.159 67 A CA 1.765 53.600 52.037 -0.336 0.000 0.656 67 A CB -0.889 17.830 19.000 -0.469 0.000 0.800 67 A HN 0.595 nan 8.150 nan 0.000 0.453 68 D N -0.451 119.812 120.400 -0.229 0.000 2.269 68 D HA -0.078 4.586 4.640 0.040 0.000 0.208 68 D C 2.005 178.193 176.300 -0.186 0.000 0.963 68 D CA 1.404 55.287 54.000 -0.195 0.000 0.864 68 D CB 0.053 40.709 40.800 -0.240 0.000 0.936 68 D HN 0.495 nan 8.370 nan 0.000 0.505 69 S N -1.725 113.854 115.700 -0.201 0.000 2.557 69 S HA 0.224 4.718 4.470 0.040 0.000 0.223 69 S C 0.690 175.232 174.600 -0.097 0.000 0.969 69 S CA -0.501 57.608 58.200 -0.151 0.000 0.927 69 S CB 0.399 63.503 63.200 -0.161 0.000 0.806 69 S HN -0.062 nan 8.310 nan 0.000 0.489 70 K N 1.619 121.962 120.400 -0.095 0.000 2.258 70 K HA 0.340 4.684 4.320 0.040 0.000 0.236 70 K C -0.788 175.781 176.600 -0.051 0.000 1.008 70 K CA -0.858 55.390 56.287 -0.065 0.000 0.869 70 K CB 0.882 33.344 32.500 -0.063 0.000 1.171 70 K HN 0.168 nan 8.250 nan 0.000 0.447 71 N N 1.586 120.265 118.700 -0.035 0.000 2.444 71 N HA -0.021 4.743 4.740 0.040 0.000 0.271 71 N C -0.135 175.367 175.510 -0.014 0.000 1.069 71 N CA 0.054 53.091 53.050 -0.022 0.000 0.965 71 N CB 1.091 39.568 38.487 -0.017 0.000 1.092 71 N HN 0.455 nan 8.380 nan 0.000 0.476 72 D N 2.284 122.682 120.400 -0.004 0.000 2.191 72 D HA -0.199 4.465 4.640 0.040 0.000 0.195 72 D C 0.744 177.055 176.300 0.020 0.000 1.003 72 D CA 1.385 55.392 54.000 0.012 0.000 0.867 72 D CB 0.031 40.845 40.800 0.022 0.000 0.926 72 D HN 0.615 nan 8.370 nan 0.000 0.450 73 N N 1.143 119.853 118.700 0.017 0.000 2.521 73 N HA -0.047 4.717 4.740 0.040 0.000 0.188 73 N C -0.384 175.123 175.510 -0.005 0.000 1.146 73 N CA 0.493 53.555 53.050 0.020 0.000 0.893 73 N CB 0.297 38.798 38.487 0.023 0.000 0.975 73 N HN 0.268 nan 8.380 nan 0.000 0.451 74 D N 0.768 121.161 120.400 -0.012 0.000 2.163 74 D HA 0.217 4.881 4.640 0.040 0.000 0.248 74 D C 0.303 176.587 176.300 -0.026 0.000 1.035 74 D CA -0.332 53.653 54.000 -0.024 0.000 0.872 74 D CB 0.980 41.766 40.800 -0.022 0.000 1.183 74 D HN -0.070 nan 8.370 nan 0.000 0.445 75 N N 0.770 119.445 118.700 -0.042 0.000 2.381 75 N HA 0.442 5.207 4.740 0.040 0.000 0.254 75 N C -0.076 175.459 175.510 0.043 0.000 1.264 75 N CA -0.026 52.999 53.050 -0.043 0.000 0.942 75 N CB 1.187 39.620 38.487 -0.090 0.000 1.190 75 N HN 0.374 nan 8.380 nan 0.000 0.495 76 I N -0.082 120.561 120.570 0.121 0.000 2.827 76 I HA 0.415 4.609 4.170 0.040 0.000 0.298 76 I C -1.561 174.818 176.117 0.437 0.000 1.235 76 I CA -0.651 60.810 61.300 0.269 0.000 1.021 76 I CB 2.240 40.419 38.000 0.298 0.000 1.259 76 I HN 0.290 nan 8.210 nan 0.000 0.427 77 F N 6.899 127.044 119.950 0.326 0.000 2.683 77 F HA 0.606 5.172 4.527 0.066 0.000 0.333 77 F C -1.791 174.309 175.800 0.499 0.000 1.160 77 F CA -0.585 57.607 58.000 0.320 0.000 1.099 77 F CB 1.227 40.339 39.000 0.187 0.000 1.344 77 F HN 0.287 nan 8.300 nan 0.000 0.534 78 L N 1.867 123.078 121.223 -0.020 0.000 2.397 78 L HA 0.881 5.245 4.340 0.040 0.000 0.251 78 L C -0.995 175.906 176.870 0.053 0.000 1.064 78 L CA -1.034 53.890 54.840 0.140 0.000 0.859 78 L CB 1.938 43.955 42.059 -0.069 0.000 1.468 78 L HN 0.379 nan 8.230 nan 0.000 0.411 79 S N 0.651 116.495 115.700 0.240 0.000 2.269 79 S HA 0.485 4.979 4.470 0.040 0.000 0.194 79 S C -1.729 172.726 174.600 -0.242 0.000 1.547 79 S CA -1.353 56.782 58.200 -0.109 0.000 1.186 79 S CB 0.469 63.616 63.200 -0.089 0.000 1.069 79 S HN 0.632 nan 8.310 nan 0.000 0.473 80 P HA -0.168 nan 4.420 nan 0.000 0.216 80 P C 1.616 178.898 177.300 -0.031 0.000 1.150 80 P CA 0.682 63.705 63.100 -0.129 0.000 0.843 80 P CB 0.095 31.755 31.700 -0.068 0.000 0.787 81 L N 0.334 121.516 121.223 -0.068 0.000 2.042 81 L HA -0.125 4.239 4.340 0.040 0.000 0.210 81 L C 2.718 179.598 176.870 0.017 0.000 1.076 81 L CA 2.298 57.143 54.840 0.009 0.000 0.749 81 L CB -1.690 40.341 42.059 -0.046 0.000 0.893 81 L HN -0.032 nan 8.230 nan 0.000 0.432 82 S N -0.638 115.012 115.700 -0.084 0.000 2.356 82 S HA -0.173 4.321 4.470 0.040 0.000 0.223 82 S C 2.083 176.603 174.600 -0.134 0.000 1.032 82 S CA 1.624 59.782 58.200 -0.069 0.000 1.005 82 S CB -0.469 62.707 63.200 -0.041 0.000 0.867 82 S HN 0.496 nan 8.310 nan 0.000 0.449 83 I N 1.190 121.618 120.570 -0.236 0.000 2.127 83 I HA -0.162 4.032 4.170 0.040 0.000 0.241 83 I C 2.701 178.757 176.117 -0.101 0.000 1.075 83 I CA 1.435 62.653 61.300 -0.138 0.000 1.334 83 I CB -0.615 37.285 38.000 -0.167 0.000 1.040 83 I HN 0.313 nan 8.210 nan 0.000 0.405 84 S N 0.136 115.762 115.700 -0.124 0.000 2.383 84 S HA -0.177 4.318 4.470 0.040 0.000 0.229 84 S C 2.005 176.532 174.600 -0.123 0.000 1.030 84 S CA 1.980 60.056 58.200 -0.206 0.000 1.002 84 S CB -0.360 62.914 63.200 0.123 0.000 0.829 84 S HN 0.498 nan 8.310 nan 0.000 0.467 85 T N 2.200 116.710 114.554 -0.073 0.000 2.770 85 T HA 0.054 4.429 4.350 0.040 0.000 0.263 85 T C 2.216 176.624 174.700 -0.486 0.000 1.039 85 T CA 1.077 63.013 62.100 -0.273 0.000 1.142 85 T CB -0.545 68.338 68.868 0.025 0.000 0.868 85 T HN 0.443 nan 8.240 nan 0.000 0.435 86 A N 1.215 123.814 122.820 -0.367 0.000 1.892 86 A HA -0.068 4.276 4.320 0.040 0.000 0.218 86 A C 1.969 179.159 177.584 -0.657 0.000 1.188 86 A CA 1.558 53.302 52.037 -0.488 0.000 0.631 86 A CB -1.135 17.609 19.000 -0.426 0.000 0.822 86 A HN 0.467 nan 8.150 nan 0.000 0.447 87 F N -0.052 119.580 119.950 -0.530 0.000 2.293 87 F HA 0.009 4.554 4.527 0.031 0.000 0.300 87 F C 2.661 178.167 175.800 -0.490 0.000 1.086 87 F CA 0.750 58.405 58.000 -0.576 0.000 1.375 87 F CB -0.273 38.077 39.000 -1.083 0.000 1.045 87 F HN 0.269 nan 8.300 nan 0.000 0.516 88 A N -0.132 122.435 122.820 -0.423 0.000 1.897 88 A HA -0.171 4.174 4.320 0.040 0.000 0.215 88 A C 2.294 179.589 177.584 -0.482 0.000 1.181 88 A CA 1.387 53.171 52.037 -0.421 0.000 0.620 88 A CB -0.641 17.852 19.000 -0.845 0.000 0.821 88 A HN 0.320 nan 8.150 nan 0.000 0.443 89 M N -0.080 118.919 119.600 -1.002 0.000 2.117 89 M HA -0.130 4.374 4.480 0.040 0.000 0.262 89 M C 1.948 178.003 176.300 -0.407 0.000 1.065 89 M CA 2.406 57.042 55.300 -1.106 0.000 1.114 89 M CB -1.105 30.730 32.600 -1.275 0.000 1.361 89 M HN 0.402 nan 8.290 nan 0.000 0.408 90 T N 1.503 115.848 114.554 -0.348 0.000 2.746 90 T HA -0.181 4.193 4.350 0.040 0.000 0.267 90 T C 1.576 176.259 174.700 -0.028 0.000 1.039 90 T CA 2.083 64.101 62.100 -0.137 0.000 1.142 90 T CB -0.407 68.323 68.868 -0.230 0.000 0.866 90 T HN 0.592 nan 8.240 nan 0.000 0.444 91 K N 1.448 121.822 120.400 -0.043 0.000 2.519 91 K HA 0.021 4.366 4.320 0.040 0.000 0.196 91 K C 1.980 178.556 176.600 -0.040 0.000 1.041 91 K CA 0.841 57.133 56.287 0.009 0.000 0.954 91 K CB -0.526 32.035 32.500 0.101 0.000 0.774 91 K HN 0.301 nan 8.250 nan 0.000 0.480 92 L N 0.597 121.749 121.223 -0.118 0.000 2.127 92 L HA -0.093 4.272 4.340 0.040 0.000 0.211 92 L C 2.187 178.772 176.870 -0.474 0.000 1.089 92 L CA 1.407 56.078 54.840 -0.283 0.000 0.757 92 L CB -0.287 41.709 42.059 -0.104 0.000 0.899 92 L HN 0.554 nan 8.230 nan 0.000 0.434 93 G N -1.292 107.027 108.800 -0.802 0.000 3.337 93 G HA2 0.433 4.417 3.960 0.040 0.000 0.246 93 G HA3 0.433 4.417 3.960 0.040 0.000 0.246 93 G C 0.374 175.052 174.900 -0.370 0.000 1.131 93 G CA 0.358 44.922 45.100 -0.894 0.000 0.773 93 G HN 0.306 nan 8.290 nan 0.000 0.544 94 A N -0.906 121.785 122.820 -0.215 0.000 2.257 94 A HA 0.779 5.123 4.320 0.040 0.000 0.289 94 A C -0.396 177.150 177.584 -0.064 0.000 1.095 94 A CA -0.454 51.523 52.037 -0.100 0.000 0.836 94 A CB 1.130 20.103 19.000 -0.046 0.000 1.111 94 A HN 0.576 nan 8.150 nan 0.000 0.497 95 c N -0.717 117.864 118.600 -0.032 0.000 3.306 95 c HA 0.546 5.141 4.570 0.040 0.000 0.335 95 c C 0.601 174.694 174.090 0.005 0.000 1.382 95 c CA 0.038 56.362 56.329 -0.009 0.000 1.254 95 c CB -0.039 42.460 42.510 -0.019 0.000 1.555 95 c HN 1.236 nan 8.230 nan 0.000 0.463 96 N N 0.880 119.594 118.700 0.024 0.000 1.192 96 N HA -0.231 4.533 4.740 0.040 0.000 0.127 96 N C -0.156 175.369 175.510 0.026 0.000 0.811 96 N CA 1.741 54.810 53.050 0.031 0.000 0.897 96 N CB -0.944 37.554 38.487 0.017 0.000 1.110 96 N HN 0.866 nan 8.380 nan 0.000 0.573 97 D N 0.218 120.626 120.400 0.013 0.000 2.144 97 D HA -0.027 4.638 4.640 0.040 0.000 0.200 97 D C 1.760 178.044 176.300 -0.026 0.000 0.978 97 D CA 1.670 55.668 54.000 -0.003 0.000 0.833 97 D CB -0.648 40.153 40.800 0.001 0.000 0.961 97 D HN 0.398 nan 8.370 nan 0.000 0.470 98 T N 1.392 115.935 114.554 -0.019 0.000 2.684 98 T HA -0.157 4.218 4.350 0.040 0.000 0.267 98 T C 1.911 176.592 174.700 -0.030 0.000 1.036 98 T CA 0.776 62.859 62.100 -0.029 0.000 1.148 98 T CB -0.382 68.470 68.868 -0.026 0.000 0.863 98 T HN 0.061 nan 8.240 nan 0.000 0.436 99 L N 1.289 122.500 121.223 -0.021 0.000 2.017 99 L HA -0.095 4.269 4.340 0.040 0.000 0.208 99 L C 2.560 179.378 176.870 -0.088 0.000 1.073 99 L CA 2.003 56.835 54.840 -0.013 0.000 0.745 99 L CB -0.902 41.171 42.059 0.023 0.000 0.894 99 L HN 0.300 nan 8.230 nan 0.000 0.432 100 Q N -1.047 118.664 119.800 -0.149 0.000 2.079 100 Q HA -0.258 4.106 4.340 0.040 0.000 0.200 100 Q C 2.273 178.088 176.000 -0.309 0.000 0.974 100 Q CA 1.895 57.452 55.803 -0.409 0.000 0.840 100 Q CB -0.237 28.351 28.738 -0.251 0.000 0.898 100 Q HN 0.685 nan 8.270 nan 0.000 0.430 101 Q N 0.064 119.772 119.800 -0.153 0.000 2.096 101 Q HA -0.161 4.203 4.340 0.040 0.000 0.204 101 Q C 2.187 178.125 176.000 -0.104 0.000 0.982 101 Q CA 1.613 57.345 55.803 -0.119 0.000 0.850 101 Q CB -0.068 28.623 28.738 -0.078 0.000 0.901 101 Q HN 0.451 nan 8.270 nan 0.000 0.422 102 L N -0.313 120.897 121.223 -0.021 0.000 2.046 102 L HA -0.202 4.162 4.340 0.040 0.000 0.208 102 L C 2.415 179.395 176.870 0.183 0.000 1.077 102 L CA 0.687 55.618 54.840 0.151 0.000 0.747 102 L CB -0.311 41.875 42.059 0.211 0.000 0.896 102 L HN 0.367 nan 8.230 nan 0.000 0.432 103 M N -0.639 118.992 119.600 0.053 0.000 2.159 103 M HA -0.182 4.323 4.480 0.040 0.000 0.263 103 M C 2.050 178.344 176.300 -0.010 0.000 1.063 103 M CA 1.727 57.083 55.300 0.092 0.000 1.110 103 M CB -0.824 31.657 32.600 -0.199 0.000 1.374 103 M HN 0.321 nan 8.290 nan 0.000 0.411 104 E N -0.496 119.625 120.200 -0.131 0.000 2.060 104 E HA -0.062 4.313 4.350 0.040 0.000 0.189 104 E C 2.156 178.655 176.600 -0.169 0.000 0.974 104 E CA 0.730 57.061 56.400 -0.116 0.000 0.808 104 E CB -0.004 29.627 29.700 -0.116 0.000 0.768 104 E HN 0.211 nan 8.360 nan 0.000 0.453 105 V N 0.934 120.686 119.914 -0.270 0.000 2.343 105 V HA -0.219 3.926 4.120 0.040 0.000 0.247 105 V C 1.571 177.291 176.094 -0.624 0.000 1.051 105 V CA 1.584 63.613 62.300 -0.452 0.000 1.036 105 V CB -0.422 31.002 31.823 -0.666 0.000 0.654 105 V HN 0.187 nan 8.190 nan 0.000 0.451 106 F N 0.250 119.931 119.950 -0.449 0.000 2.731 106 F HA 0.256 4.798 4.527 0.024 0.000 0.304 106 F C 1.327 176.675 175.800 -0.754 0.000 1.133 106 F CA -0.360 57.136 58.000 -0.839 0.000 1.380 106 F CB -0.339 37.894 39.000 -1.278 0.000 1.079 106 F HN 0.046 nan 8.300 nan 0.000 0.550 107 K N -1.696 118.546 120.400 -0.264 0.000 3.274 107 K HA -0.264 4.080 4.320 0.040 0.000 0.305 107 K C 0.805 177.400 176.600 -0.009 0.000 1.225 107 K CA 0.725 56.950 56.287 -0.103 0.000 0.904 107 K CB -2.663 29.817 32.500 -0.032 0.000 1.227 107 K HN 0.298 nan 8.250 nan 0.000 0.453 108 F N 1.859 121.881 119.950 0.120 0.000 2.333 108 F HA -0.111 4.432 4.527 0.026 0.000 0.300 108 F C 2.183 178.063 175.800 0.134 0.000 1.083 108 F CA 1.582 59.660 58.000 0.130 0.000 1.395 108 F CB -0.387 38.698 39.000 0.142 0.000 1.056 108 F HN 0.205 nan 8.300 nan 0.000 0.529 109 D N -0.751 119.820 120.400 0.287 0.000 2.363 109 D HA -0.094 4.570 4.640 0.040 0.000 0.220 109 D C 1.543 177.949 176.300 0.177 0.000 0.994 109 D CA 1.193 55.357 54.000 0.273 0.000 0.890 109 D CB -1.324 39.658 40.800 0.303 0.000 0.906 109 D HN 0.343 nan 8.370 nan 0.000 0.530 110 T N -1.580 113.050 114.554 0.127 0.000 3.148 110 T HA 0.172 4.546 4.350 0.040 0.000 0.253 110 T C 1.026 175.756 174.700 0.051 0.000 1.134 110 T CA -0.369 61.772 62.100 0.068 0.000 1.051 110 T CB -0.545 68.341 68.868 0.029 0.000 0.959 110 T HN 0.112 nan 8.240 nan 0.000 0.525 111 I N 3.328 123.954 120.570 0.092 0.000 2.291 111 I HA 0.192 4.387 4.170 0.040 0.000 0.290 111 I C 1.618 177.781 176.117 0.077 0.000 1.050 111 I CA -0.337 60.999 61.300 0.060 0.000 1.245 111 I CB 0.721 38.778 38.000 0.096 0.000 1.405 111 I HN 0.388 nan 8.210 nan 0.000 0.478 112 S N 5.711 121.435 115.700 0.040 0.000 3.905 112 S HA -0.386 4.108 4.470 0.040 0.000 0.537 112 S C 0.572 175.208 174.600 0.059 0.000 0.934 112 S CA 1.998 60.225 58.200 0.045 0.000 3.401 112 S CB -0.599 62.629 63.200 0.046 0.000 2.340 112 S HN 0.774 nan 8.310 nan 0.000 0.480 113 E N 0.636 120.879 120.200 0.073 0.000 4.139 113 E HA 0.471 4.845 4.350 0.040 0.000 0.227 113 E C -1.133 175.515 176.600 0.079 0.000 1.187 113 E CA -0.508 55.926 56.400 0.057 0.000 1.324 113 E CB 0.944 30.664 29.700 0.033 0.000 1.207 113 E HN 0.309 nan 8.360 nan 0.000 0.422 114 K N 1.375 121.855 120.400 0.132 0.000 2.098 114 K HA 0.331 4.675 4.320 0.040 0.000 0.257 114 K C 0.280 176.941 176.600 0.102 0.000 0.999 114 K CA -0.315 56.065 56.287 0.156 0.000 0.924 114 K CB 0.846 33.529 32.500 0.304 0.000 1.028 114 K HN 0.178 nan 8.250 nan 0.000 0.466 115 T N -2.243 112.346 114.554 0.059 0.000 2.907 115 T HA 0.157 4.531 4.350 0.040 0.000 0.284 115 T C 1.168 175.902 174.700 0.056 0.000 1.004 115 T CA -0.356 61.771 62.100 0.044 0.000 1.063 115 T CB 1.402 70.277 68.868 0.011 0.000 0.992 115 T HN 0.491 nan 8.240 nan 0.000 0.483 116 S N 1.269 117.040 115.700 0.119 0.000 2.402 116 S HA -0.284 4.210 4.470 0.040 0.000 0.233 116 S C 1.514 176.113 174.600 -0.002 0.000 1.030 116 S CA 1.726 59.974 58.200 0.080 0.000 1.003 116 S CB -0.998 62.303 63.200 0.169 0.000 0.813 116 S HN 0.977 nan 8.310 nan 0.000 0.477 117 D N 1.103 121.538 120.400 0.059 0.000 2.219 117 D HA -0.159 4.505 4.640 0.040 0.000 0.205 117 D C 2.016 178.314 176.300 -0.003 0.000 0.970 117 D CA 1.027 55.094 54.000 0.111 0.000 0.851 117 D CB -0.454 40.382 40.800 0.059 0.000 0.943 117 D HN 0.604 nan 8.370 nan 0.000 0.488 118 Q N -0.124 119.591 119.800 -0.142 0.000 2.187 118 Q HA 0.032 4.396 4.340 0.040 0.000 0.199 118 Q C 2.367 177.949 176.000 -0.697 0.000 0.957 118 Q CA 0.609 56.188 55.803 -0.373 0.000 0.857 118 Q CB 0.016 28.520 28.738 -0.390 0.000 0.929 118 Q HN 0.438 nan 8.270 nan 0.000 0.453 119 I N 0.824 121.112 120.570 -0.471 0.000 2.264 119 I HA -0.301 3.894 4.170 0.040 0.000 0.248 119 I C 2.044 178.003 176.117 -0.264 0.000 1.111 119 I CA 1.105 62.179 61.300 -0.377 0.000 1.382 119 I CB -0.309 37.404 38.000 -0.479 0.000 1.060 119 I HN 0.299 nan 8.210 nan 0.000 0.418 120 H N -0.785 118.272 119.070 -0.021 0.000 2.462 120 H HA -0.140 4.441 4.556 0.042 0.000 0.292 120 H C 1.959 177.312 175.328 0.040 0.000 1.049 120 H CA 1.227 57.320 56.048 0.074 0.000 1.334 120 H CB -0.288 29.512 29.762 0.063 0.000 1.404 120 H HN 0.347 nan 8.280 nan 0.000 0.544 121 F N 1.227 121.098 119.950 -0.132 0.000 2.206 121 F HA -0.110 4.447 4.527 0.050 0.000 0.298 121 F C 1.733 177.519 175.800 -0.023 0.000 1.090 121 F CA 0.586 58.505 58.000 -0.135 0.000 1.323 121 F CB -0.503 38.347 39.000 -0.250 0.000 1.028 121 F HN -0.134 nan 8.300 nan 0.000 0.492 122 F N -0.631 119.199 119.950 -0.199 0.000 2.234 122 F HA -0.093 4.458 4.527 0.039 0.000 0.299 122 F C 2.197 177.805 175.800 -0.321 0.000 1.087 122 F CA 0.781 58.571 58.000 -0.350 0.000 1.340 122 F CB -1.741 37.123 39.000 -0.227 0.000 1.031 122 F HN -0.033 nan 8.300 nan 0.000 0.500 123 F N 0.138 120.068 119.950 -0.033 0.000 2.259 123 F HA -0.006 4.540 4.527 0.032 0.000 0.298 123 F C 2.424 178.134 175.800 -0.149 0.000 1.088 123 F CA 0.856 58.824 58.000 -0.054 0.000 1.358 123 F CB -0.865 38.127 39.000 -0.013 0.000 1.040 123 F HN -0.057 nan 8.300 nan 0.000 0.505 124 A N 0.311 123.108 122.820 -0.038 0.000 1.883 124 A HA -0.207 4.137 4.320 0.040 0.000 0.217 124 A C 2.343 179.870 177.584 -0.095 0.000 1.186 124 A CA 1.685 53.669 52.037 -0.088 0.000 0.624 124 A CB -0.527 18.441 19.000 -0.053 0.000 0.822 124 A HN 0.227 nan 8.150 nan 0.000 0.444 125 K N -0.778 119.492 120.400 -0.215 0.000 2.032 125 K HA -0.156 4.188 4.320 0.040 0.000 0.209 125 K C 1.982 178.515 176.600 -0.111 0.000 1.048 125 K CA 1.449 57.618 56.287 -0.197 0.000 0.927 125 K CB -0.710 31.602 32.500 -0.313 0.000 0.712 125 K HN 0.431 nan 8.250 nan 0.000 0.441 126 L N 2.532 123.687 121.223 -0.113 0.000 1.994 126 L HA -0.148 4.216 4.340 0.040 0.000 0.208 126 L C 1.640 178.495 176.870 -0.025 0.000 1.071 126 L CA 1.831 56.613 54.840 -0.097 0.000 0.745 126 L CB -0.845 41.100 42.059 -0.189 0.000 0.892 126 L HN 0.127 nan 8.230 nan 0.000 0.431 127 N N -0.648 118.110 118.700 0.095 0.000 2.223 127 N HA -0.220 4.544 4.740 0.040 0.000 0.185 127 N C 2.108 177.721 175.510 0.171 0.000 1.016 127 N CA 1.462 54.655 53.050 0.238 0.000 0.863 127 N CB -1.086 37.610 38.487 0.347 0.000 0.983 127 N HN 0.643 nan 8.380 nan 0.000 0.429 128 c N 2.313 120.956 118.600 0.072 0.000 2.413 128 c HA -0.019 4.575 4.570 0.040 0.000 0.276 128 c C 2.557 176.656 174.090 0.014 0.000 1.236 128 c CA 0.705 57.066 56.329 0.054 0.000 1.735 128 c CB -0.595 41.925 42.510 0.017 0.000 2.031 128 c HN 0.356 nan 8.230 nan 0.000 0.474 129 R N 0.934 121.411 120.500 -0.038 0.000 2.115 129 R HA 0.084 4.449 4.340 0.040 0.000 0.226 129 R C 2.174 178.391 176.300 -0.138 0.000 1.100 129 R CA 1.054 57.115 56.100 -0.065 0.000 0.980 129 R CB -1.122 29.138 30.300 -0.066 0.000 0.875 129 R HN 0.542 nan 8.270 nan 0.000 0.445 130 L N -0.323 120.729 121.223 -0.285 0.000 2.093 130 L HA -0.114 4.251 4.340 0.040 0.000 0.208 130 L C 1.557 178.026 176.870 -0.668 0.000 1.085 130 L CA 1.375 55.861 54.840 -0.590 0.000 0.755 130 L CB -0.219 41.234 42.059 -1.010 0.000 0.904 130 L HN 0.108 nan 8.230 nan 0.000 0.435 131 Y N -2.689 117.638 120.300 0.045 0.000 2.535 131 Y HA 0.187 4.760 4.550 0.039 0.000 0.264 131 Y C 2.386 178.312 175.900 0.044 0.000 1.087 131 Y CA -0.366 57.766 58.100 0.052 0.000 1.285 131 Y CB 0.088 38.582 38.460 0.057 0.000 1.200 131 Y HN -0.154 nan 8.280 nan 0.000 0.514 132 R N 1.078 121.663 120.500 0.142 0.000 2.223 132 R HA 0.182 4.546 4.340 0.040 0.000 0.198 132 R C 0.650 176.982 176.300 0.054 0.000 0.984 132 R CA 0.504 56.661 56.100 0.094 0.000 1.018 132 R CB -0.226 30.124 30.300 0.082 0.000 0.945 132 R HN 0.198 nan 8.270 nan 0.000 0.479 133 K N 0.942 121.358 120.400 0.027 0.000 2.185 133 K HA 0.733 5.077 4.320 0.040 0.000 0.269 133 K C -0.259 176.354 176.600 0.022 0.000 0.987 133 K CA 0.077 56.375 56.287 0.019 0.000 0.865 133 K CB 1.578 34.079 32.500 0.003 0.000 1.090 133 K HN 0.191 nan 8.250 nan 0.000 0.450 134 A N 0.385 123.224 122.820 0.033 0.000 4.258 134 A HA 0.913 5.257 4.320 0.040 0.000 0.158 134 A C 0.207 177.820 177.584 0.048 0.000 0.780 134 A CA 0.453 52.516 52.037 0.044 0.000 1.200 134 A CB -0.329 18.706 19.000 0.058 0.000 2.104 134 A HN 2.430 nan 8.150 nan 0.000 0.922 135 N N -3.152 115.580 118.700 0.054 0.000 7.398 135 N HA 0.552 5.317 4.740 0.040 0.000 0.090 135 N C 0.316 175.860 175.510 0.056 0.000 0.909 135 N CA 1.018 54.099 53.050 0.053 0.000 1.210 135 N CB -0.690 37.831 38.487 0.056 0.000 1.316 135 N HN 2.020 nan 8.380 nan 0.000 1.133 136 K N -0.753 119.674 120.400 0.046 0.000 2.242 136 K HA 0.396 4.740 4.320 0.040 0.000 0.206 136 K C 1.437 178.059 176.600 0.038 0.000 1.045 136 K CA 2.697 59.008 56.287 0.041 0.000 0.930 136 K CB -0.584 31.935 32.500 0.032 0.000 0.726 136 K HN 2.407 nan 8.250 nan 0.000 0.462 137 A N -0.666 122.181 122.820 0.045 0.000 2.366 137 A HA 0.603 4.947 4.320 0.040 0.000 0.322 137 A C 0.907 178.543 177.584 0.087 0.000 1.397 137 A CA 0.696 52.762 52.037 0.049 0.000 0.984 137 A CB -0.885 18.149 19.000 0.058 0.000 1.149 137 A HN 1.965 nan 8.150 nan 0.000 0.540 138 S N 1.462 117.217 115.700 0.091 0.000 4.055 138 S HA -0.107 4.388 4.470 0.040 0.000 0.323 138 S C 0.020 174.739 174.600 0.199 0.000 1.068 138 S CA 0.797 59.135 58.200 0.230 0.000 0.892 138 S CB -1.886 61.455 63.200 0.234 0.000 0.846 138 S HN 1.208 nan 8.310 nan 0.000 0.532 139 K N 0.484 120.980 120.400 0.160 0.000 2.110 139 K HA 0.838 5.182 4.320 0.040 0.000 0.263 139 K C -0.596 176.145 176.600 0.236 0.000 0.975 139 K CA -0.809 55.574 56.287 0.160 0.000 0.895 139 K CB 0.561 33.135 32.500 0.125 0.000 1.060 139 K HN 0.309 nan 8.250 nan 0.000 0.448 140 L N 3.840 125.218 121.223 0.258 0.000 2.341 140 L HA 0.376 4.740 4.340 0.040 0.000 0.278 140 L C -1.189 175.925 176.870 0.407 0.000 1.005 140 L CA -0.617 54.428 54.840 0.341 0.000 0.818 140 L CB 2.018 44.228 42.059 0.252 0.000 1.259 140 L HN 0.434 nan 8.230 nan 0.000 0.418 141 V N 2.709 122.837 119.914 0.357 0.000 2.350 141 V HA 0.427 4.571 4.120 0.040 0.000 0.276 141 V C 0.210 176.410 176.094 0.177 0.000 1.028 141 V CA -0.502 61.944 62.300 0.244 0.000 0.860 141 V CB 1.467 33.431 31.823 0.234 0.000 0.990 141 V HN 0.798 nan 8.190 nan 0.000 0.453 142 S N 4.319 119.999 115.700 -0.033 0.000 2.475 142 S HA 0.720 5.214 4.470 0.040 0.000 0.281 142 S C 0.029 174.580 174.600 -0.081 0.000 1.198 142 S CA -0.173 57.938 58.200 -0.149 0.000 1.063 142 S CB 0.834 63.632 63.200 -0.670 0.000 0.972 142 S HN 1.051 nan 8.310 nan 0.000 0.486 143 A N 5.277 128.099 122.820 0.003 0.000 2.483 143 A HA 0.561 4.905 4.320 0.040 0.000 0.308 143 A C -0.733 176.956 177.584 0.176 0.000 1.291 143 A CA -0.852 51.214 52.037 0.048 0.000 0.774 143 A CB 0.076 19.020 19.000 -0.093 0.000 1.134 143 A HN 0.900 nan 8.150 nan 0.000 0.471 144 N N 1.375 120.184 118.700 0.182 0.000 2.491 144 N HA 0.589 5.353 4.740 0.040 0.000 0.274 144 N C -0.719 174.751 175.510 -0.067 0.000 1.023 144 N CA -0.504 52.558 53.050 0.020 0.000 0.902 144 N CB 1.875 40.302 38.487 -0.100 0.000 1.267 144 N HN 0.667 nan 8.380 nan 0.000 0.503 145 R N 2.353 122.749 120.500 -0.173 0.000 2.584 145 R HA 0.455 4.819 4.340 0.040 0.000 0.276 145 R C -2.008 173.919 176.300 -0.621 0.000 1.046 145 R CA -0.795 54.971 56.100 -0.557 0.000 0.906 145 R CB 1.181 30.870 30.300 -1.017 0.000 1.215 145 R HN 0.322 nan 8.270 nan 0.000 0.449 146 L N 5.100 125.903 121.223 -0.700 0.000 2.277 146 L HA 0.491 4.856 4.340 0.040 0.000 0.284 146 L C -1.566 175.017 176.870 -0.478 0.000 1.028 146 L CA -0.209 54.342 54.840 -0.481 0.000 0.835 146 L CB 0.809 42.605 42.059 -0.438 0.000 1.215 146 L HN 0.520 nan 8.230 nan 0.000 0.425 147 F N 3.427 123.374 119.950 -0.005 0.000 2.411 147 F HA 0.653 5.205 4.527 0.040 0.000 0.355 147 F C 1.107 177.085 175.800 0.296 0.000 1.117 147 F CA -0.324 57.738 58.000 0.105 0.000 1.139 147 F CB 1.387 40.527 39.000 0.233 0.000 1.120 147 F HN 0.548 nan 8.300 nan 0.000 0.493 148 G N 2.436 111.485 108.800 0.415 0.000 2.513 148 G HA2 0.361 4.345 3.960 0.040 0.000 0.317 148 G HA3 0.361 4.345 3.960 0.040 0.000 0.317 148 G C -1.424 173.541 174.900 0.108 0.000 1.277 148 G CA -0.789 44.528 45.100 0.362 0.000 0.955 148 G HN 0.563 nan 8.290 nan 0.000 0.484 149 D N 0.848 121.350 120.400 0.171 0.000 2.478 149 D HA -0.016 4.648 4.640 0.040 0.000 0.234 149 D C 1.634 177.895 176.300 -0.065 0.000 1.154 149 D CA 0.233 54.243 54.000 0.015 0.000 0.874 149 D CB 0.820 41.727 40.800 0.178 0.000 1.198 149 D HN 0.329 nan 8.370 nan 0.000 0.455 150 K N 1.087 121.425 120.400 -0.103 0.000 2.173 150 K HA -0.197 4.147 4.320 0.040 0.000 0.207 150 K C 1.942 178.502 176.600 -0.066 0.000 1.046 150 K CA 1.531 57.770 56.287 -0.080 0.000 0.929 150 K CB -0.296 32.160 32.500 -0.072 0.000 0.720 150 K HN 0.572 nan 8.250 nan 0.000 0.453 151 S N 0.740 116.410 115.700 -0.050 0.000 2.507 151 S HA -0.041 4.453 4.470 0.040 0.000 0.235 151 S C 0.893 175.438 174.600 -0.092 0.000 0.988 151 S CA 0.312 58.482 58.200 -0.051 0.000 0.944 151 S CB -0.400 62.787 63.200 -0.022 0.000 0.762 151 S HN 0.117 nan 8.310 nan 0.000 0.526 152 L N 1.571 122.706 121.223 -0.147 0.000 2.312 152 L HA 0.469 4.833 4.340 0.040 0.000 0.281 152 L C -0.134 176.517 176.870 -0.366 0.000 1.070 152 L CA -0.349 54.321 54.840 -0.284 0.000 0.805 152 L CB 1.313 43.124 42.059 -0.413 0.000 1.174 152 L HN 0.024 nan 8.230 nan 0.000 0.434 153 T N 2.464 116.801 114.554 -0.360 0.000 2.792 153 T HA 0.527 4.902 4.350 0.040 0.000 0.280 153 T C -0.535 173.978 174.700 -0.312 0.000 0.990 153 T CA -0.309 61.640 62.100 -0.251 0.000 0.960 153 T CB 0.654 69.459 68.868 -0.105 0.000 0.939 153 T HN 0.093 nan 8.240 nan 0.000 0.439 154 F N 3.121 123.071 119.950 -0.001 0.000 2.394 154 F HA 0.350 4.903 4.527 0.043 0.000 0.340 154 F C 1.220 177.057 175.800 0.062 0.000 1.105 154 F CA -0.986 57.042 58.000 0.046 0.000 1.124 154 F CB 0.665 39.626 39.000 -0.065 0.000 1.145 154 F HN 0.408 nan 8.300 nan 0.000 0.505 155 N N 3.035 121.918 118.700 0.306 0.000 2.407 155 N HA -0.090 4.674 4.740 0.040 0.000 0.250 155 N C 1.150 176.761 175.510 0.168 0.000 1.236 155 N CA 0.077 53.235 53.050 0.181 0.000 0.879 155 N CB 0.786 39.358 38.487 0.141 0.000 1.088 155 N HN 0.677 nan 8.380 nan 0.000 0.450 156 E N 2.296 122.551 120.200 0.092 0.000 2.130 156 E HA -0.182 4.192 4.350 0.040 0.000 0.196 156 E C 1.237 177.872 176.600 0.058 0.000 0.998 156 E CA 1.567 58.002 56.400 0.059 0.000 0.806 156 E CB -0.784 28.935 29.700 0.032 0.000 0.738 156 E HN 0.595 nan 8.360 nan 0.000 0.459 157 T N 0.752 115.347 114.554 0.069 0.000 2.821 157 T HA -0.136 4.238 4.350 0.040 0.000 0.267 157 T C 1.467 176.232 174.700 0.108 0.000 1.046 157 T CA 1.105 63.240 62.100 0.058 0.000 1.139 157 T CB -0.404 68.485 68.868 0.034 0.000 0.871 157 T HN 0.193 nan 8.240 nan 0.000 0.454 158 Y N 2.440 122.722 120.300 -0.029 0.000 2.114 158 Y HA -0.144 4.429 4.550 0.038 0.000 0.284 158 Y C 2.424 178.274 175.900 -0.083 0.000 1.143 158 Y CA 1.145 59.215 58.100 -0.050 0.000 1.135 158 Y CB -0.814 37.649 38.460 0.005 0.000 0.980 158 Y HN 0.337 nan 8.280 nan 0.000 0.499 159 Q N -0.395 119.368 119.800 -0.063 0.000 2.020 159 Q HA -0.200 4.164 4.340 0.040 0.000 0.202 159 Q C 1.866 177.792 176.000 -0.124 0.000 0.982 159 Q CA 1.557 57.238 55.803 -0.204 0.000 0.838 159 Q CB -0.310 28.355 28.738 -0.121 0.000 0.899 159 Q HN 0.377 nan 8.270 nan 0.000 0.423 160 D N 0.998 121.370 120.400 -0.047 0.000 2.127 160 D HA -0.185 4.479 4.640 0.040 0.000 0.190 160 D C 1.908 178.187 176.300 -0.034 0.000 1.000 160 D CA 1.271 55.251 54.000 -0.034 0.000 0.839 160 D CB -0.272 40.522 40.800 -0.010 0.000 0.955 160 D HN 0.235 nan 8.370 nan 0.000 0.446 161 I N 0.694 121.256 120.570 -0.013 0.000 2.315 161 I HA -0.207 3.987 4.170 0.040 0.000 0.248 161 I C 2.276 178.397 176.117 0.006 0.000 1.117 161 I CA 0.719 62.014 61.300 -0.008 0.000 1.404 161 I CB -0.136 37.864 38.000 -0.000 0.000 1.071 161 I HN -0.111 nan 8.210 nan 0.000 0.419 162 S N 0.004 115.695 115.700 -0.015 0.000 2.419 162 S HA -0.199 4.295 4.470 0.040 0.000 0.233 162 S C 1.849 176.433 174.600 -0.025 0.000 1.016 162 S CA 1.179 59.380 58.200 0.002 0.000 0.974 162 S CB -0.196 62.840 63.200 -0.273 0.000 0.786 162 S HN 0.465 nan 8.310 nan 0.000 0.492 163 E N 0.701 120.855 120.200 -0.077 0.000 2.014 163 E HA -0.059 4.315 4.350 0.040 0.000 0.190 163 E C 2.090 178.659 176.600 -0.051 0.000 0.980 163 E CA 0.667 57.023 56.400 -0.074 0.000 0.807 163 E CB -0.165 29.487 29.700 -0.079 0.000 0.770 163 E HN 0.290 nan 8.360 nan 0.000 0.451 164 L N 0.491 121.685 121.223 -0.048 0.000 2.042 164 L HA -0.166 4.199 4.340 0.040 0.000 0.210 164 L C 2.062 178.882 176.870 -0.083 0.000 1.076 164 L CA 1.574 56.386 54.840 -0.047 0.000 0.749 164 L CB -0.280 41.760 42.059 -0.032 0.000 0.893 164 L HN 0.054 nan 8.230 nan 0.000 0.432 165 V N -1.851 117.969 119.914 -0.157 0.000 2.500 165 V HA -0.136 4.008 4.120 0.040 0.000 0.243 165 V C 1.498 177.275 176.094 -0.527 0.000 1.039 165 V CA 1.243 63.318 62.300 -0.375 0.000 1.053 165 V CB -0.473 30.989 31.823 -0.601 0.000 0.695 165 V HN 0.438 nan 8.190 nan 0.000 0.463 166 Y N 0.208 120.474 120.300 -0.057 0.000 2.467 166 Y HA 0.502 5.071 4.550 0.030 0.000 0.250 166 Y C 1.876 177.705 175.900 -0.119 0.000 1.155 166 Y CA 0.055 58.099 58.100 -0.094 0.000 1.249 166 Y CB -0.030 38.334 38.460 -0.160 0.000 1.146 166 Y HN 0.269 nan 8.280 nan 0.000 0.524 167 G N 1.108 109.905 108.800 -0.006 0.000 2.321 167 G HA2 -0.188 3.797 3.960 0.040 0.000 0.287 167 G HA3 -0.188 3.797 3.960 0.040 0.000 0.287 167 G C 0.204 175.083 174.900 -0.035 0.000 1.018 167 G CA 0.380 45.461 45.100 -0.032 0.000 0.855 167 G HN 0.628 nan 8.290 nan 0.000 0.507 168 A N -0.800 121.986 122.820 -0.055 0.000 2.324 168 A HA 0.859 5.204 4.320 0.040 0.000 0.330 168 A C 0.092 177.525 177.584 -0.251 0.000 1.165 168 A CA -0.059 51.891 52.037 -0.144 0.000 0.813 168 A CB 1.282 20.172 19.000 -0.184 0.000 1.197 168 A HN 0.799 nan 8.150 nan 0.000 0.484 169 K N 1.589 121.781 120.400 -0.346 0.000 2.164 169 K HA 0.629 4.973 4.320 0.040 0.000 0.258 169 K C -1.439 174.792 176.600 -0.615 0.000 0.951 169 K CA -0.252 55.784 56.287 -0.418 0.000 0.844 169 K CB 0.946 33.224 32.500 -0.369 0.000 1.099 169 K HN 0.524 nan 8.250 nan 0.000 0.435 170 L N 4.287 125.096 121.223 -0.690 0.000 2.352 170 L HA 0.298 4.662 4.340 0.040 0.000 0.272 170 L C -0.388 176.122 176.870 -0.600 0.000 1.109 170 L CA -0.771 53.447 54.840 -1.036 0.000 0.952 170 L CB 0.790 41.765 42.059 -1.806 0.000 1.314 170 L HN 0.624 nan 8.230 nan 0.000 0.427 171 Q N 4.972 124.468 119.800 -0.507 0.000 2.314 171 Q HA 0.326 4.690 4.340 0.040 0.000 0.257 171 Q C -2.469 173.527 176.000 -0.008 0.000 0.975 171 Q CA -1.592 54.062 55.803 -0.248 0.000 0.933 171 Q CB 1.234 29.782 28.738 -0.318 0.000 1.195 171 Q HN 0.179 nan 8.270 nan 0.000 0.426 172 P HA 0.229 nan 4.420 nan 0.000 0.281 172 P C -1.120 176.106 177.300 -0.124 0.000 1.252 172 P CA -0.009 63.087 63.100 -0.006 0.000 0.778 172 P CB 0.730 32.428 31.700 -0.003 0.000 0.895 173 L N 2.021 123.050 121.223 -0.323 0.000 2.422 173 L HA 0.375 4.739 4.340 0.040 0.000 0.264 173 L C 0.049 176.575 176.870 -0.572 0.000 0.984 173 L CA -0.889 53.659 54.840 -0.487 0.000 0.819 173 L CB 2.276 43.889 42.059 -0.743 0.000 1.330 173 L HN 0.194 nan 8.230 nan 0.000 0.410 174 D N 1.396 121.603 120.400 -0.323 0.000 2.545 174 D HA 0.087 4.751 4.640 0.040 0.000 0.227 174 D C 0.710 176.962 176.300 -0.080 0.000 1.150 174 D CA 0.085 53.982 54.000 -0.172 0.000 1.046 174 D CB 0.200 40.950 40.800 -0.083 0.000 1.098 174 D HN 0.228 nan 8.370 nan 0.000 0.502 175 F N 1.682 121.634 119.950 0.003 0.000 2.259 175 F HA -0.013 4.538 4.527 0.039 0.000 0.298 175 F C 2.159 177.963 175.800 0.006 0.000 1.088 175 F CA 0.624 58.626 58.000 0.003 0.000 1.358 175 F CB -0.275 38.733 39.000 0.013 0.000 1.040 175 F HN 0.250 nan 8.300 nan 0.000 0.505 176 K N 0.294 120.807 120.400 0.189 0.000 1.987 176 K HA -0.211 4.133 4.320 0.040 0.000 0.216 176 K C 1.568 178.216 176.600 0.080 0.000 1.051 176 K CA 2.161 58.515 56.287 0.112 0.000 0.942 176 K CB -0.352 32.192 32.500 0.073 0.000 0.722 176 K HN 0.258 nan 8.250 nan 0.000 0.444 177 E N -0.517 119.718 120.200 0.058 0.000 2.498 177 E HA 0.072 4.447 4.350 0.040 0.000 0.203 177 E C -0.250 176.373 176.600 0.038 0.000 1.013 177 E CA -0.044 56.381 56.400 0.041 0.000 0.927 177 E CB 0.535 30.250 29.700 0.024 0.000 1.012 177 E HN 0.277 nan 8.360 nan 0.000 0.482 178 N N -0.085 118.645 118.700 0.050 0.000 2.571 178 N HA 0.202 4.966 4.740 0.040 0.000 0.298 178 N C 0.546 176.107 175.510 0.084 0.000 1.671 178 N CA -0.106 52.968 53.050 0.041 0.000 0.900 178 N CB 1.220 39.710 38.487 0.006 0.000 1.365 178 N HN -0.002 nan 8.380 nan 0.000 0.493 179 A N 0.720 123.612 122.820 0.120 0.000 1.865 179 A HA -0.227 4.117 4.320 0.040 0.000 0.217 179 A C 2.127 179.779 177.584 0.113 0.000 1.191 179 A CA 1.589 53.730 52.037 0.173 0.000 0.623 179 A CB -0.261 18.800 19.000 0.102 0.000 0.826 179 A HN 0.295 nan 8.150 nan 0.000 0.444 180 E N 0.269 120.503 120.200 0.056 0.000 2.051 180 E HA -0.199 4.175 4.350 0.040 0.000 0.192 180 E C 2.311 178.923 176.600 0.019 0.000 0.991 180 E CA 1.709 58.125 56.400 0.026 0.000 0.799 180 E CB -0.306 29.401 29.700 0.013 0.000 0.748 180 E HN 0.743 nan 8.360 nan 0.000 0.449 181 Q N -0.305 119.506 119.800 0.018 0.000 2.364 181 Q HA 0.019 4.383 4.340 0.040 0.000 0.207 181 Q C 1.984 177.979 176.000 -0.009 0.000 0.970 181 Q CA 1.101 56.904 55.803 0.001 0.000 0.888 181 Q CB -0.154 28.581 28.738 -0.004 0.000 0.951 181 Q HN 0.087 nan 8.270 nan 0.000 0.469 182 S N 1.198 116.907 115.700 0.015 0.000 2.371 182 S HA -0.019 4.475 4.470 0.040 0.000 0.221 182 S C 1.881 176.468 174.600 -0.021 0.000 1.036 182 S CA 0.670 58.862 58.200 -0.013 0.000 0.965 182 S CB -0.068 63.170 63.200 0.063 0.000 0.845 182 S HN 0.474 nan 8.310 nan 0.000 0.475 183 R N 1.661 122.181 120.500 0.033 0.000 2.103 183 R HA -0.136 4.228 4.340 0.040 0.000 0.242 183 R C 2.208 178.480 176.300 -0.045 0.000 1.142 183 R CA 1.622 57.710 56.100 -0.019 0.000 0.960 183 R CB -0.542 29.746 30.300 -0.020 0.000 0.858 183 R HN 0.355 nan 8.270 nan 0.000 0.439 184 A N 0.505 123.308 122.820 -0.029 0.000 1.933 184 A HA -0.066 4.279 4.320 0.040 0.000 0.218 184 A C 2.344 179.916 177.584 -0.020 0.000 1.175 184 A CA 1.617 53.640 52.037 -0.024 0.000 0.628 184 A CB -0.675 18.315 19.000 -0.016 0.000 0.814 184 A HN 0.584 nan 8.150 nan 0.000 0.444 185 A N -0.256 122.540 122.820 -0.039 0.000 1.968 185 A HA 0.037 4.381 4.320 0.040 0.000 0.217 185 A C 2.076 179.648 177.584 -0.021 0.000 1.169 185 A CA 1.270 53.289 52.037 -0.029 0.000 0.638 185 A CB -0.485 18.477 19.000 -0.064 0.000 0.812 185 A HN 0.490 nan 8.150 nan 0.000 0.446 186 I N 0.032 120.519 120.570 -0.138 0.000 2.202 186 I HA -0.227 3.968 4.170 0.040 0.000 0.242 186 I C 1.993 178.167 176.117 0.096 0.000 1.091 186 I CA 1.070 62.274 61.300 -0.160 0.000 1.368 186 I CB -0.447 37.335 38.000 -0.364 0.000 1.058 186 I HN 0.270 nan 8.210 nan 0.000 0.410 187 N N 1.388 120.108 118.700 0.032 0.000 2.223 187 N HA -0.183 4.581 4.740 0.040 0.000 0.185 187 N C 2.017 177.557 175.510 0.051 0.000 1.016 187 N CA 1.913 54.987 53.050 0.040 0.000 0.863 187 N CB -0.423 38.060 38.487 -0.007 0.000 0.983 187 N HN 0.400 nan 8.380 nan 0.000 0.429 188 K N 0.294 120.732 120.400 0.063 0.000 2.062 188 K HA -0.104 4.240 4.320 0.040 0.000 0.205 188 K C 1.864 178.525 176.600 0.101 0.000 1.051 188 K CA 1.162 57.482 56.287 0.056 0.000 0.941 188 K CB -1.507 31.025 32.500 0.053 0.000 0.719 188 K HN 0.349 nan 8.250 nan 0.000 0.440 189 W N 1.042 122.348 121.300 0.010 0.000 2.335 189 W HA -0.196 4.486 4.660 0.038 0.000 0.311 189 W C 1.848 178.388 176.519 0.036 0.000 1.213 189 W CA 1.919 59.291 57.345 0.044 0.000 1.274 189 W CB -0.311 29.223 29.460 0.123 0.000 1.148 189 W HN 0.044 nan 8.180 nan 0.000 0.498 190 V N 0.096 120.032 119.914 0.036 0.000 2.261 190 V HA -0.343 3.801 4.120 0.040 0.000 0.246 190 V C 2.535 178.496 176.094 -0.222 0.000 1.047 190 V CA 2.274 64.480 62.300 -0.156 0.000 1.015 190 V CB -1.577 30.284 31.823 0.062 0.000 0.642 190 V HN 0.338 nan 8.190 nan 0.000 0.446 191 S N 0.419 116.038 115.700 -0.136 0.000 2.374 191 S HA -0.324 4.170 4.470 0.040 0.000 0.227 191 S C 1.929 176.391 174.600 -0.230 0.000 1.037 191 S CA 2.412 60.510 58.200 -0.170 0.000 1.024 191 S CB -0.650 62.484 63.200 -0.110 0.000 0.861 191 S HN 0.693 nan 8.310 nan 0.000 0.456 192 N N 0.433 119.004 118.700 -0.215 0.000 2.289 192 N HA -0.043 4.722 4.740 0.040 0.000 0.184 192 N C 1.546 176.875 175.510 -0.301 0.000 1.016 192 N CA 1.071 53.989 53.050 -0.220 0.000 0.872 192 N CB -0.020 38.367 38.487 -0.166 0.000 0.973 192 N HN 0.284 nan 8.380 nan 0.000 0.433 193 K N -0.871 119.279 120.400 -0.416 0.000 2.243 193 K HA 0.063 4.408 4.320 0.040 0.000 0.201 193 K C 1.285 177.648 176.600 -0.395 0.000 1.051 193 K CA 1.105 57.147 56.287 -0.409 0.000 0.970 193 K CB -0.570 31.588 32.500 -0.569 0.000 0.755 193 K HN 0.383 nan 8.250 nan 0.000 0.465 194 T N -1.044 113.207 114.554 -0.505 0.000 3.244 194 T HA 0.181 4.555 4.350 0.040 0.000 0.254 194 T C 0.051 174.067 174.700 -1.140 0.000 1.024 194 T CA -0.306 61.222 62.100 -0.954 0.000 0.920 194 T CB -0.345 68.203 68.868 -0.535 0.000 1.042 194 T HN 0.216 nan 8.240 nan 0.000 0.572 195 E N 0.234 120.033 120.200 -0.668 0.000 2.494 195 E HA -0.274 4.100 4.350 0.040 0.000 0.249 195 E C 1.167 177.577 176.600 -0.316 0.000 1.184 195 E CA 0.519 56.686 56.400 -0.388 0.000 0.727 195 E CB -1.682 27.868 29.700 -0.250 0.000 1.281 195 E HN 0.979 nan 8.360 nan 0.000 0.405 196 G N -0.500 108.109 108.800 -0.319 0.000 2.225 196 G HA2 -0.411 3.573 3.960 0.040 0.000 0.254 196 G HA3 -0.411 3.573 3.960 0.040 0.000 0.254 196 G C 0.951 175.676 174.900 -0.292 0.000 0.988 196 G CA 0.447 45.400 45.100 -0.246 0.000 0.625 196 G HN 0.212 nan 8.290 nan 0.000 0.527 197 R N 0.231 120.494 120.500 -0.396 0.000 2.081 197 R HA 0.122 4.486 4.340 0.040 0.000 0.235 197 R C 1.426 177.453 176.300 -0.455 0.000 1.131 197 R CA 1.142 56.915 56.100 -0.545 0.000 0.960 197 R CB -0.502 29.437 30.300 -0.601 0.000 0.856 197 R HN 0.538 nan 8.270 nan 0.000 0.436 198 I N 1.888 122.293 120.570 -0.276 0.000 2.328 198 I HA 0.106 4.301 4.170 0.040 0.000 0.287 198 I C 0.607 176.655 176.117 -0.114 0.000 1.012 198 I CA -0.182 61.039 61.300 -0.130 0.000 1.195 198 I CB 1.868 39.855 38.000 -0.021 0.000 1.350 198 I HN 0.057 nan 8.210 nan 0.000 0.464 199 T N -0.950 113.549 114.554 -0.092 0.000 3.044 199 T HA 0.130 4.504 4.350 0.040 0.000 0.260 199 T C 0.279 174.952 174.700 -0.044 0.000 1.019 199 T CA -0.197 61.859 62.100 -0.073 0.000 0.921 199 T CB -0.070 68.748 68.868 -0.083 0.000 1.053 199 T HN 0.640 nan 8.240 nan 0.000 0.533 200 D N 1.667 122.048 120.400 -0.032 0.000 2.997 200 D HA 0.118 4.782 4.640 0.040 0.000 0.362 200 D C 1.360 177.641 176.300 -0.031 0.000 1.298 200 D CA -0.341 53.637 54.000 -0.037 0.000 0.756 200 D CB 0.236 41.008 40.800 -0.047 0.000 1.216 200 D HN 0.255 nan 8.370 nan 0.000 0.496 201 V N -1.807 118.113 119.914 0.010 0.000 2.380 201 V HA -0.107 4.037 4.120 0.040 0.000 0.251 201 V C 1.015 177.062 176.094 -0.078 0.000 1.063 201 V CA 0.849 63.182 62.300 0.055 0.000 1.055 201 V CB -0.740 31.180 31.823 0.163 0.000 0.657 201 V HN 0.309 nan 8.190 nan 0.000 0.455 202 I N 2.288 122.760 120.570 -0.162 0.000 2.297 202 I HA 0.477 4.671 4.170 0.040 0.000 0.291 202 I C -2.504 173.414 176.117 -0.331 0.000 1.033 202 I CA -2.788 58.262 61.300 -0.417 0.000 1.253 202 I CB 0.301 38.157 38.000 -0.241 0.000 1.396 202 I HN 0.179 nan 8.210 nan 0.000 0.476 203 P HA 0.051 nan 4.420 nan 0.000 0.272 203 P C 0.006 177.208 177.300 -0.164 0.000 1.240 203 P CA -0.235 62.731 63.100 -0.223 0.000 0.791 203 P CB 0.446 32.026 31.700 -0.200 0.000 0.978 204 S N 1.040 116.680 115.700 -0.100 0.000 2.544 204 S HA -0.007 4.487 4.470 0.040 0.000 0.290 204 S C -0.069 174.495 174.600 -0.059 0.000 1.276 204 S CA -0.283 57.875 58.200 -0.069 0.000 1.075 204 S CB -0.791 62.382 63.200 -0.047 0.000 0.849 204 S HN 0.552 nan 8.310 nan 0.000 0.494 205 E N 0.877 121.048 120.200 -0.049 0.000 2.302 205 E HA -0.212 4.162 4.350 0.040 0.000 0.186 205 E C 0.295 176.878 176.600 -0.028 0.000 1.444 205 E CA 0.544 56.925 56.400 -0.031 0.000 0.671 205 E CB -1.982 27.708 29.700 -0.017 0.000 1.122 205 E HN 0.956 nan 8.360 nan 0.000 0.366 206 A N 1.002 123.796 122.820 -0.043 0.000 2.600 206 A HA 0.386 4.730 4.320 0.040 0.000 0.252 206 A C 0.387 177.976 177.584 0.008 0.000 1.200 206 A CA -0.136 51.899 52.037 -0.003 0.000 0.981 206 A CB 0.859 19.809 19.000 -0.083 0.000 1.207 206 A HN 0.261 nan 8.150 nan 0.000 0.577 207 I N 2.395 122.937 120.570 -0.047 0.000 2.476 207 I HA 0.271 4.465 4.170 0.040 0.000 0.281 207 I C -0.931 175.142 176.117 -0.073 0.000 1.040 207 I CA -0.693 60.539 61.300 -0.114 0.000 1.094 207 I CB 1.728 39.635 38.000 -0.156 0.000 1.219 207 I HN 0.451 nan 8.210 nan 0.000 0.450 208 N N 3.306 121.965 118.700 -0.068 0.000 2.906 208 N HA 0.365 5.129 4.740 0.040 0.000 0.327 208 N C 0.242 175.755 175.510 0.005 0.000 1.344 208 N CA -0.826 52.215 53.050 -0.014 0.000 0.823 208 N CB 0.440 38.928 38.487 0.002 0.000 1.351 208 N HN 0.251 nan 8.380 nan 0.000 0.604 209 E N -0.526 119.696 120.200 0.036 0.000 2.472 209 E HA 0.047 4.422 4.350 0.040 0.000 0.200 209 E C 0.647 177.284 176.600 0.061 0.000 1.046 209 E CA 0.743 57.181 56.400 0.063 0.000 0.871 209 E CB -0.452 29.280 29.700 0.054 0.000 0.806 209 E HN 0.522 nan 8.360 nan 0.000 0.533 210 L N 0.289 121.535 121.223 0.039 0.000 2.667 210 L HA 0.183 4.547 4.340 0.040 0.000 0.232 210 L C 0.251 177.141 176.870 0.032 0.000 1.138 210 L CA -0.139 54.734 54.840 0.054 0.000 0.921 210 L CB 0.181 42.277 42.059 0.061 0.000 1.180 210 L HN -0.082 nan 8.230 nan 0.000 0.487 211 T N -0.080 114.445 114.554 -0.050 0.000 2.851 211 T HA 0.210 4.584 4.350 0.040 0.000 0.298 211 T C 1.026 175.662 174.700 -0.107 0.000 0.977 211 T CA -0.134 61.851 62.100 -0.192 0.000 1.126 211 T CB 2.447 70.995 68.868 -0.533 0.000 0.916 211 T HN -0.140 nan 8.240 nan 0.000 0.529 212 V N 3.341 123.179 119.914 -0.127 0.000 2.840 212 V HA 0.388 4.532 4.120 0.040 0.000 0.234 212 V C 0.299 176.424 176.094 0.051 0.000 1.159 212 V CA 0.303 62.581 62.300 -0.036 0.000 1.194 212 V CB 0.060 31.748 31.823 -0.226 0.000 0.971 212 V HN 0.594 nan 8.190 nan 0.000 0.494 213 L N 0.711 121.884 121.223 -0.083 0.000 2.409 213 L HA 0.649 5.013 4.340 0.040 0.000 0.272 213 L C -1.594 175.296 176.870 0.034 0.000 0.980 213 L CA -0.385 54.483 54.840 0.047 0.000 0.826 213 L CB 2.494 44.546 42.059 -0.012 0.000 1.268 213 L HN -0.015 nan 8.230 nan 0.000 0.407 214 V N 4.311 124.325 119.914 0.166 0.000 2.483 214 V HA 0.379 4.523 4.120 0.040 0.000 0.297 214 V C -0.545 175.656 176.094 0.179 0.000 1.027 214 V CA -0.563 61.832 62.300 0.158 0.000 0.855 214 V CB 2.241 34.205 31.823 0.234 0.000 0.995 214 V HN 0.429 nan 8.190 nan 0.000 0.424 215 L N 6.825 128.074 121.223 0.043 0.000 2.292 215 L HA 0.751 5.115 4.340 0.040 0.000 0.284 215 L C -0.510 176.399 176.870 0.066 0.000 1.065 215 L CA 0.278 55.084 54.840 -0.057 0.000 0.806 215 L CB 1.527 43.432 42.059 -0.257 0.000 1.175 215 L HN 0.449 nan 8.230 nan 0.000 0.431 216 V N 5.117 125.094 119.914 0.104 0.000 2.686 216 V HA 0.630 4.774 4.120 0.040 0.000 0.306 216 V C -1.093 175.124 176.094 0.205 0.000 1.065 216 V CA -0.616 61.846 62.300 0.270 0.000 0.894 216 V CB 2.080 34.206 31.823 0.505 0.000 1.004 216 V HN 1.014 nan 8.190 nan 0.000 0.424 217 N N 1.757 120.609 118.700 0.254 0.000 2.504 217 N HA 0.840 5.605 4.740 0.040 0.000 0.268 217 N C -0.961 174.779 175.510 0.382 0.000 1.184 217 N CA -0.508 52.678 53.050 0.227 0.000 0.875 217 N CB 2.628 41.154 38.487 0.067 0.000 1.630 217 N HN 0.685 nan 8.380 nan 0.000 0.486 218 T N -1.644 113.098 114.554 0.312 0.000 2.749 218 T HA 0.613 4.988 4.350 0.040 0.000 0.310 218 T C -1.355 173.525 174.700 0.300 0.000 1.496 218 T CA -0.821 61.504 62.100 0.375 0.000 1.006 218 T CB 0.860 69.895 68.868 0.278 0.000 1.457 218 T HN 0.532 nan 8.240 nan 0.000 0.497 219 I N 1.332 122.142 120.570 0.399 0.000 2.569 219 I HA 0.489 4.683 4.170 0.040 0.000 0.290 219 I C -1.675 174.835 176.117 0.654 0.000 1.088 219 I CA -1.048 60.493 61.300 0.402 0.000 1.047 219 I CB 2.321 40.447 38.000 0.210 0.000 1.237 219 I HN 0.746 nan 8.210 nan 0.000 0.421 220 Y N 7.062 127.595 120.300 0.387 0.000 2.352 220 Y HA 0.624 5.198 4.550 0.040 0.000 0.339 220 Y C -1.597 174.549 175.900 0.410 0.000 0.992 220 Y CA -1.230 57.082 58.100 0.354 0.000 1.100 220 Y CB 1.438 40.000 38.460 0.171 0.000 1.192 220 Y HN 0.403 nan 8.280 nan 0.000 0.458 221 F N 6.830 126.591 119.950 -0.315 0.000 2.574 221 F HA 0.545 5.112 4.527 0.067 0.000 0.313 221 F C -1.820 173.619 175.800 -0.601 0.000 1.130 221 F CA -0.855 56.945 58.000 -0.332 0.000 0.936 221 F CB 1.407 40.403 39.000 -0.006 0.000 1.219 221 F HN 0.502 nan 8.300 nan 0.000 0.445 222 K N 4.727 124.295 120.400 -1.387 0.000 2.471 222 K HA 0.893 5.237 4.320 0.040 0.000 0.252 222 K C -1.097 174.700 176.600 -1.339 0.000 0.938 222 K CA -0.941 54.648 56.287 -1.164 0.000 0.796 222 K CB 2.071 34.186 32.500 -0.642 0.000 1.161 222 K HN 0.876 nan 8.250 nan 0.000 0.425 223 G N 2.953 111.000 108.800 -1.256 0.000 2.696 223 G HA2 0.524 4.508 3.960 0.040 0.000 0.295 223 G HA3 0.524 4.508 3.960 0.040 0.000 0.295 223 G C -1.354 173.428 174.900 -0.196 0.000 1.398 223 G CA -1.111 43.553 45.100 -0.726 0.000 0.920 223 G HN 0.453 nan 8.290 nan 0.000 0.492 224 L N 0.396 121.651 121.223 0.054 0.000 2.322 224 L HA 0.445 4.809 4.340 0.040 0.000 0.279 224 L C -0.112 176.945 176.870 0.312 0.000 1.036 224 L CA -0.836 54.066 54.840 0.104 0.000 0.807 224 L CB 1.571 43.680 42.059 0.084 0.000 1.226 224 L HN 0.594 nan 8.230 nan 0.000 0.433 225 W N 2.482 123.900 121.300 0.197 0.000 2.193 225 W HA 0.011 4.692 4.660 0.035 0.000 0.338 225 W C 1.513 178.067 176.519 0.058 0.000 1.310 225 W CA -0.315 57.060 57.345 0.051 0.000 1.243 225 W CB 0.685 30.175 29.460 0.049 0.000 1.165 225 W HN 0.608 nan 8.180 nan 0.000 0.566 226 K N 1.194 121.782 120.400 0.314 0.000 2.217 226 K HA -0.119 4.225 4.320 0.040 0.000 0.202 226 K C 0.713 177.363 176.600 0.083 0.000 1.051 226 K CA 1.147 57.533 56.287 0.165 0.000 0.952 226 K CB 0.070 32.637 32.500 0.112 0.000 0.736 226 K HN 0.237 nan 8.250 nan 0.000 0.453 227 S N 1.040 116.778 115.700 0.063 0.000 2.395 227 S HA 0.267 4.761 4.470 0.040 0.000 0.207 227 S C -1.128 173.399 174.600 -0.123 0.000 1.454 227 S CA -0.921 57.239 58.200 -0.066 0.000 1.211 227 S CB 0.409 63.492 63.200 -0.195 0.000 1.093 227 S HN 0.180 nan 8.310 nan 0.000 0.472 228 K N 2.132 122.547 120.400 0.026 0.000 2.286 228 K HA 0.281 4.626 4.320 0.040 0.000 0.256 228 K C -0.614 175.949 176.600 -0.062 0.000 0.999 228 K CA 0.204 56.567 56.287 0.127 0.000 0.908 228 K CB 0.326 32.957 32.500 0.218 0.000 0.981 228 K HN 0.422 nan 8.250 nan 0.000 0.500 229 F N -0.400 119.585 119.950 0.058 0.000 2.497 229 F HA 0.242 4.792 4.527 0.038 0.000 0.331 229 F C 0.787 176.623 175.800 0.059 0.000 1.060 229 F CA -0.683 57.328 58.000 0.019 0.000 0.989 229 F CB 1.758 40.762 39.000 0.007 0.000 1.245 229 F HN 0.292 nan 8.300 nan 0.000 0.486 230 S N 1.712 117.562 115.700 0.250 0.000 2.442 230 S HA 0.371 4.865 4.470 0.040 0.000 0.297 230 S C -1.935 172.758 174.600 0.155 0.000 1.131 230 S CA -1.710 56.590 58.200 0.166 0.000 1.092 230 S CB 1.255 64.526 63.200 0.118 0.000 0.998 230 S HN 0.269 nan 8.310 nan 0.000 0.478 231 P HA -0.138 nan 4.420 nan 0.000 0.216 231 P C 0.818 178.162 177.300 0.074 0.000 1.150 231 P CA 1.262 64.413 63.100 0.086 0.000 0.843 231 P CB 0.103 31.843 31.700 0.066 0.000 0.787 232 E N -1.004 119.238 120.200 0.071 0.000 2.267 232 E HA -0.147 4.227 4.350 0.040 0.000 0.197 232 E C 1.113 177.747 176.600 0.057 0.000 0.998 232 E CA 0.742 57.175 56.400 0.055 0.000 0.830 232 E CB -0.494 29.236 29.700 0.049 0.000 0.751 232 E HN 0.386 nan 8.360 nan 0.000 0.491 233 N N 0.353 119.106 118.700 0.090 0.000 2.280 233 N HA 0.004 4.768 4.740 0.040 0.000 0.192 233 N C -0.061 175.502 175.510 0.089 0.000 1.109 233 N CA 0.306 53.410 53.050 0.090 0.000 0.855 233 N CB 0.671 39.274 38.487 0.192 0.000 0.974 233 N HN -0.047 nan 8.380 nan 0.000 0.482 234 T N 2.304 116.910 114.554 0.086 0.000 2.907 234 T HA 0.370 4.744 4.350 0.040 0.000 0.298 234 T C 0.577 175.305 174.700 0.046 0.000 1.017 234 T CA -0.206 61.935 62.100 0.068 0.000 1.118 234 T CB 0.830 69.727 68.868 0.048 0.000 0.948 234 T HN 0.338 nan 8.240 nan 0.000 0.531 235 R N 0.561 121.090 120.500 0.048 0.000 2.663 235 R HA 0.416 4.780 4.340 0.040 0.000 0.267 235 R C -1.492 174.834 176.300 0.044 0.000 1.038 235 R CA -1.319 54.802 56.100 0.036 0.000 0.886 235 R CB 0.879 31.194 30.300 0.024 0.000 1.249 235 R HN 0.148 nan 8.270 nan 0.000 0.463 236 K N 2.116 122.536 120.400 0.032 0.000 2.453 236 K HA 0.070 4.414 4.320 0.040 0.000 0.280 236 K C -0.537 176.087 176.600 0.039 0.000 1.045 236 K CA 0.704 57.010 56.287 0.031 0.000 1.059 236 K CB 0.325 32.837 32.500 0.020 0.000 0.901 236 K HN 0.603 nan 8.250 nan 0.000 0.475 237 E N 1.890 122.120 120.200 0.049 0.000 2.393 237 E HA 0.358 4.732 4.350 0.040 0.000 0.273 237 E C -0.566 176.051 176.600 0.028 0.000 0.918 237 E CA -0.889 55.543 56.400 0.053 0.000 0.773 237 E CB 1.813 31.567 29.700 0.090 0.000 1.275 237 E HN 0.277 nan 8.360 nan 0.000 0.451 238 L N 2.374 123.586 121.223 -0.019 0.000 2.331 238 L HA 0.346 4.710 4.340 0.040 0.000 0.278 238 L C -0.393 176.283 176.870 -0.323 0.000 1.106 238 L CA -0.257 54.475 54.840 -0.180 0.000 0.824 238 L CB 0.184 42.084 42.059 -0.264 0.000 1.142 238 L HN 0.392 nan 8.230 nan 0.000 0.443 239 F N 3.225 122.905 119.950 -0.449 0.000 2.436 239 F HA 0.397 4.947 4.527 0.039 0.000 0.340 239 F C -0.718 174.746 175.800 -0.561 0.000 1.113 239 F CA -0.583 57.208 58.000 -0.348 0.000 1.022 239 F CB 0.908 39.837 39.000 -0.119 0.000 1.128 239 F HN 0.187 nan 8.300 nan 0.000 0.466 240 Y N 5.535 125.532 120.300 -0.504 0.000 2.595 240 Y HA 0.342 4.915 4.550 0.039 0.000 0.336 240 Y C 0.233 175.968 175.900 -0.275 0.000 0.996 240 Y CA -0.832 57.101 58.100 -0.277 0.000 1.260 240 Y CB 0.367 38.686 38.460 -0.235 0.000 1.108 240 Y HN 0.409 nan 8.280 nan 0.000 0.509 241 K N 0.938 121.393 120.400 0.093 0.000 2.230 241 K HA 0.315 4.659 4.320 0.040 0.000 0.253 241 K C 1.120 177.781 176.600 0.101 0.000 1.008 241 K CA 0.250 56.649 56.287 0.186 0.000 0.910 241 K CB 0.705 33.325 32.500 0.200 0.000 0.994 241 K HN 0.735 nan 8.250 nan 0.000 0.495 242 A N 1.732 124.610 122.820 0.096 0.000 2.024 242 A HA -0.173 4.171 4.320 0.040 0.000 0.220 242 A C 1.211 178.824 177.584 0.049 0.000 1.164 242 A CA 2.018 54.092 52.037 0.060 0.000 0.643 242 A CB -0.611 18.422 19.000 0.055 0.000 0.806 242 A HN 0.872 nan 8.150 nan 0.000 0.451 243 D N -2.102 118.331 120.400 0.054 0.000 2.344 243 D HA 0.312 4.976 4.640 0.040 0.000 0.242 243 D C 1.172 177.499 176.300 0.045 0.000 1.159 243 D CA 0.840 54.865 54.000 0.042 0.000 0.859 243 D CB -0.639 40.183 40.800 0.036 0.000 0.925 243 D HN 0.621 nan 8.370 nan 0.000 0.510 244 G N -0.342 108.491 108.800 0.055 0.000 2.507 244 G HA2 -0.336 3.649 3.960 0.040 0.000 0.240 244 G HA3 -0.336 3.649 3.960 0.040 0.000 0.240 244 G C 0.397 175.347 174.900 0.085 0.000 1.119 244 G CA 0.314 45.451 45.100 0.062 0.000 0.664 244 G HN 0.428 nan 8.290 nan 0.000 0.516 245 E N 1.294 121.535 120.200 0.068 0.000 2.425 245 E HA 0.485 4.860 4.350 0.040 0.000 0.258 245 E C 0.671 177.310 176.600 0.065 0.000 1.151 245 E CA 0.818 57.255 56.400 0.062 0.000 0.958 245 E CB 1.232 30.958 29.700 0.043 0.000 0.968 245 E HN 0.902 nan 8.360 nan 0.000 0.451 246 S N -0.723 114.990 115.700 0.022 0.000 2.569 246 S HA 0.714 5.208 4.470 0.040 0.000 0.280 246 S C -0.290 174.277 174.600 -0.056 0.000 1.111 246 S CA -0.902 57.248 58.200 -0.082 0.000 0.887 246 S CB 1.018 64.075 63.200 -0.238 0.000 1.095 246 S HN 0.706 nan 8.310 nan 0.000 0.476 247 c N -0.367 118.199 118.600 -0.057 0.000 3.236 247 c HA 0.887 5.482 4.570 0.040 0.000 0.312 247 c C 0.133 174.209 174.090 -0.025 0.000 1.374 247 c CA -0.796 55.518 56.329 -0.024 0.000 1.455 247 c CB 0.892 43.401 42.510 -0.002 0.000 1.834 247 c HN 0.959 nan 8.230 nan 0.000 0.460 248 S N 0.800 116.490 115.700 -0.016 0.000 2.448 248 S HA 0.639 5.133 4.470 0.040 0.000 0.279 248 S C 0.060 174.661 174.600 0.002 0.000 1.195 248 S CA 0.289 58.486 58.200 -0.006 0.000 1.051 248 S CB -0.355 62.843 63.200 -0.004 0.000 0.948 248 S HN 1.653 nan 8.310 nan 0.000 0.493 249 A N 4.062 126.897 122.820 0.026 0.000 2.354 249 A HA 0.723 5.067 4.320 0.040 0.000 0.321 249 A C -0.087 177.524 177.584 0.044 0.000 1.125 249 A CA -0.762 51.293 52.037 0.029 0.000 0.799 249 A CB 1.372 20.406 19.000 0.057 0.000 1.293 249 A HN 0.701 nan 8.150 nan 0.000 0.452 250 S N 1.412 117.134 115.700 0.036 0.000 2.681 250 S HA 0.277 4.771 4.470 0.040 0.000 0.313 250 S C -0.090 174.539 174.600 0.049 0.000 1.137 250 S CA -0.104 58.116 58.200 0.034 0.000 1.045 250 S CB -0.558 62.651 63.200 0.015 0.000 1.208 250 S HN 0.581 nan 8.310 nan 0.000 0.523 251 M N 4.859 124.504 119.600 0.075 0.000 2.146 251 M HA 0.355 4.859 4.480 0.040 0.000 0.352 251 M C -0.343 176.000 176.300 0.072 0.000 1.343 251 M CA 0.165 55.528 55.300 0.105 0.000 1.115 251 M CB 0.034 32.733 32.600 0.166 0.000 1.657 251 M HN 0.493 nan 8.290 nan 0.000 0.471 252 M N 4.149 123.738 119.600 -0.018 0.000 2.368 252 M HA 0.384 4.889 4.480 0.040 0.000 0.311 252 M C -1.121 175.250 176.300 0.119 0.000 1.168 252 M CA -0.504 54.742 55.300 -0.090 0.000 1.044 252 M CB 1.290 33.512 32.600 -0.630 0.000 1.506 252 M HN 0.682 nan 8.290 nan 0.000 0.475 253 Y N 1.156 121.543 120.300 0.143 0.000 2.519 253 Y HA 0.480 5.055 4.550 0.041 0.000 0.336 253 Y C -1.447 174.547 175.900 0.156 0.000 1.089 253 Y CA -0.542 57.600 58.100 0.069 0.000 1.025 253 Y CB 1.621 40.002 38.460 -0.131 0.000 1.318 253 Y HN 0.768 nan 8.280 nan 0.000 0.452 254 Q N 2.915 122.263 119.800 -0.754 0.000 2.776 254 Q HA 0.499 4.864 4.340 0.040 0.000 0.289 254 Q C -2.274 173.294 176.000 -0.721 0.000 0.912 254 Q CA -1.198 54.214 55.803 -0.652 0.000 0.789 254 Q CB 2.328 30.755 28.738 -0.519 0.000 1.498 254 Q HN 0.705 nan 8.270 nan 0.000 0.408 255 E N -0.052 119.898 120.200 -0.417 0.000 2.248 255 E HA 0.799 5.173 4.350 0.040 0.000 0.267 255 E C -0.706 175.805 176.600 -0.147 0.000 0.877 255 E CA -0.926 55.324 56.400 -0.249 0.000 0.759 255 E CB 2.208 31.799 29.700 -0.181 0.000 1.182 255 E HN 0.859 nan 8.360 nan 0.000 0.418 256 G N 1.462 110.214 108.800 -0.080 0.000 2.430 256 G HA2 0.292 4.276 3.960 0.040 0.000 0.300 256 G HA3 0.292 4.276 3.960 0.040 0.000 0.300 256 G C -1.670 173.014 174.900 -0.359 0.000 1.330 256 G CA -0.971 43.973 45.100 -0.259 0.000 0.813 256 G HN 0.327 nan 8.290 nan 0.000 0.487 257 K N -0.158 119.878 120.400 -0.607 0.000 2.248 257 K HA 0.697 5.042 4.320 0.040 0.000 0.281 257 K C -1.511 174.585 176.600 -0.841 0.000 1.054 257 K CA -0.345 55.648 56.287 -0.491 0.000 0.903 257 K CB 0.357 32.661 32.500 -0.328 0.000 1.077 257 K HN 0.239 nan 8.250 nan 0.000 0.474 258 F N 1.995 121.856 119.950 -0.148 0.000 2.601 258 F HA 0.439 4.989 4.527 0.038 0.000 0.309 258 F C 0.059 175.816 175.800 -0.072 0.000 1.089 258 F CA -0.972 56.944 58.000 -0.141 0.000 0.940 258 F CB 1.777 40.650 39.000 -0.211 0.000 1.273 258 F HN 0.302 nan 8.300 nan 0.000 0.450 259 R N 1.690 122.273 120.500 0.138 0.000 2.442 259 R HA 0.353 4.717 4.340 0.040 0.000 0.291 259 R C -1.355 175.038 176.300 0.155 0.000 1.069 259 R CA -0.092 56.070 56.100 0.102 0.000 1.022 259 R CB 0.652 30.991 30.300 0.064 0.000 0.976 259 R HN 0.725 nan 8.270 nan 0.000 0.443 260 Y N 1.151 121.435 120.300 -0.026 0.000 2.705 260 Y HA 0.556 5.130 4.550 0.041 0.000 0.332 260 Y C -1.519 174.352 175.900 -0.048 0.000 1.221 260 Y CA -1.222 56.844 58.100 -0.057 0.000 1.059 260 Y CB 1.872 40.298 38.460 -0.057 0.000 1.298 260 Y HN 0.539 nan 8.280 nan 0.000 0.459 261 R N 2.558 122.416 120.500 -1.071 0.000 3.971 261 R HA 0.289 4.654 4.340 0.040 0.000 0.243 261 R C -2.353 173.371 176.300 -0.959 0.000 1.054 261 R CA -0.548 55.077 56.100 -0.791 0.000 1.243 261 R CB 0.829 30.915 30.300 -0.357 0.000 1.244 261 R HN 0.854 nan 8.270 nan 0.000 0.547 262 R N 3.537 123.646 120.500 -0.652 0.000 2.254 262 R HA 0.564 4.929 4.340 0.040 0.000 0.318 262 R C 0.203 176.289 176.300 -0.356 0.000 1.031 262 R CA -0.366 55.484 56.100 -0.417 0.000 0.905 262 R CB 0.848 31.059 30.300 -0.149 0.000 1.050 262 R HN 0.515 nan 8.270 nan 0.000 0.456 263 V N 1.163 120.800 119.914 -0.461 0.000 3.352 263 V HA 0.732 4.876 4.120 0.040 0.000 0.299 263 V C 0.171 176.100 176.094 -0.275 0.000 1.228 263 V CA -0.959 61.065 62.300 -0.460 0.000 1.017 263 V CB 0.859 32.077 31.823 -1.008 0.000 1.237 263 V HN 0.877 nan 8.190 nan 0.000 0.472 264 A N -0.148 122.591 122.820 -0.133 0.000 2.615 264 A HA 0.085 4.429 4.320 0.040 0.000 0.240 264 A C 0.873 178.452 177.584 -0.008 0.000 1.003 264 A CA 1.290 53.334 52.037 0.011 0.000 0.778 264 A CB -1.290 17.812 19.000 0.170 0.000 0.907 264 A HN 1.410 nan 8.150 nan 0.000 0.507 265 E N 0.326 120.530 120.200 0.006 0.000 2.539 265 E HA -0.270 4.104 4.350 0.040 0.000 0.253 265 E C 0.985 177.573 176.600 -0.019 0.000 1.145 265 E CA 1.329 57.733 56.400 0.007 0.000 0.738 265 E CB -1.624 28.098 29.700 0.038 0.000 1.308 265 E HN 2.480 nan 8.360 nan 0.000 0.409 266 G N -0.483 108.286 108.800 -0.052 0.000 2.147 266 G HA2 -0.319 3.665 3.960 0.040 0.000 0.244 266 G HA3 -0.319 3.665 3.960 0.040 0.000 0.244 266 G C 0.194 175.045 174.900 -0.082 0.000 1.005 266 G CA 0.545 45.609 45.100 -0.060 0.000 0.713 266 G HN 0.285 nan 8.290 nan 0.000 0.515 267 T N 1.177 115.643 114.554 -0.147 0.000 2.794 267 T HA 0.457 4.831 4.350 0.040 0.000 0.296 267 T C 0.479 175.032 174.700 -0.246 0.000 0.949 267 T CA 0.101 62.095 62.100 -0.177 0.000 1.101 267 T CB 1.066 69.780 68.868 -0.256 0.000 0.905 267 T HN 0.411 nan 8.240 nan 0.000 0.516 268 Q N 2.143 121.900 119.800 -0.073 0.000 2.256 268 Q HA 0.509 4.873 4.340 0.040 0.000 0.254 268 Q C -0.825 175.212 176.000 0.062 0.000 0.916 268 Q CA -0.662 55.154 55.803 0.023 0.000 0.932 268 Q CB 1.580 30.559 28.738 0.402 0.000 1.207 268 Q HN 0.383 nan 8.270 nan 0.000 0.426 269 V N 4.077 123.872 119.914 -0.197 0.000 2.417 269 V HA 0.460 4.604 4.120 0.040 0.000 0.291 269 V C -0.816 175.194 176.094 -0.140 0.000 1.024 269 V CA -0.771 61.453 62.300 -0.128 0.000 0.861 269 V CB 1.480 33.180 31.823 -0.205 0.000 0.985 269 V HN 0.546 nan 8.190 nan 0.000 0.436 270 L N 4.041 125.164 121.223 -0.166 0.000 2.410 270 L HA 0.651 5.015 4.340 0.040 0.000 0.270 270 L C -0.521 176.246 176.870 -0.171 0.000 0.983 270 L CA -0.135 54.532 54.840 -0.289 0.000 0.822 270 L CB 2.041 43.528 42.059 -0.953 0.000 1.285 270 L HN 0.797 nan 8.230 nan 0.000 0.409 271 E N 5.188 125.341 120.200 -0.079 0.000 2.129 271 E HA 0.438 4.812 4.350 0.040 0.000 0.268 271 E C -1.660 174.946 176.600 0.009 0.000 0.900 271 E CA -0.555 55.847 56.400 0.004 0.000 0.755 271 E CB 1.018 30.756 29.700 0.063 0.000 1.117 271 E HN 0.686 nan 8.360 nan 0.000 0.410 272 L N 7.570 128.765 121.223 -0.047 0.000 2.277 272 L HA 0.449 4.813 4.340 0.040 0.000 0.284 272 L C -2.091 174.795 176.870 0.026 0.000 1.028 272 L CA -2.017 52.751 54.840 -0.119 0.000 0.835 272 L CB 1.062 42.781 42.059 -0.568 0.000 1.215 272 L HN 0.411 nan 8.230 nan 0.000 0.425 273 P HA 0.242 nan 4.420 nan 0.000 0.277 273 P C -0.932 176.459 177.300 0.153 0.000 1.240 273 P CA -0.241 62.944 63.100 0.142 0.000 0.798 273 P CB 1.004 32.785 31.700 0.135 0.000 0.979 274 F N -0.113 120.052 119.950 0.358 0.000 2.408 274 F HA 0.237 4.785 4.527 0.035 0.000 0.325 274 F C 1.398 177.336 175.800 0.229 0.000 1.082 274 F CA -0.548 57.655 58.000 0.339 0.000 1.032 274 F CB 0.979 40.193 39.000 0.357 0.000 1.259 274 F HN 0.007 nan 8.300 nan 0.000 0.503 275 K N 0.515 121.149 120.400 0.390 0.000 2.524 275 K HA 0.370 4.714 4.320 0.040 0.000 0.279 275 K C 0.817 177.552 176.600 0.225 0.000 0.993 275 K CA 0.693 57.122 56.287 0.236 0.000 1.030 275 K CB 0.049 32.654 32.500 0.176 0.000 0.891 275 K HN 1.021 nan 8.250 nan 0.000 0.488 276 G N 1.046 109.943 108.800 0.160 0.000 2.284 276 G HA2 -0.270 3.714 3.960 0.040 0.000 0.216 276 G HA3 -0.270 3.714 3.960 0.040 0.000 0.216 276 G C 0.408 175.383 174.900 0.125 0.000 1.009 276 G CA 0.465 45.647 45.100 0.135 0.000 0.625 276 G HN 0.761 nan 8.290 nan 0.000 0.501 277 D N -0.152 120.341 120.400 0.155 0.000 2.304 277 D HA -0.187 4.478 4.640 0.040 0.000 0.162 277 D C 0.915 177.291 176.300 0.126 0.000 1.458 277 D CA 1.784 55.861 54.000 0.129 0.000 1.334 277 D CB -1.548 39.300 40.800 0.080 0.000 1.250 277 D HN 0.542 nan 8.370 nan 0.000 0.458 278 D N 0.719 121.188 120.400 0.115 0.000 2.178 278 D HA 0.005 4.669 4.640 0.040 0.000 0.202 278 D C 1.213 177.569 176.300 0.093 0.000 0.974 278 D CA 0.838 54.887 54.000 0.083 0.000 0.841 278 D CB 0.584 41.416 40.800 0.054 0.000 0.953 278 D HN 0.410 nan 8.370 nan 0.000 0.478 279 I N 0.813 121.473 120.570 0.150 0.000 2.433 279 I HA 0.159 4.354 4.170 0.040 0.000 0.292 279 I C 0.151 176.521 176.117 0.422 0.000 1.001 279 I CA -0.384 61.006 61.300 0.150 0.000 1.119 279 I CB 2.155 40.097 38.000 -0.097 0.000 1.289 279 I HN -0.163 nan 8.210 nan 0.000 0.438 280 T N 2.960 117.753 114.554 0.398 0.000 2.883 280 T HA 0.628 5.002 4.350 0.040 0.000 0.296 280 T C -0.729 174.276 174.700 0.509 0.000 1.117 280 T CA -0.908 61.465 62.100 0.455 0.000 1.006 280 T CB 2.165 71.186 68.868 0.255 0.000 1.191 280 T HN 0.551 nan 8.240 nan 0.000 0.508 281 M N 2.700 122.567 119.600 0.444 0.000 2.205 281 M HA 0.663 5.167 4.480 0.040 0.000 0.344 281 M C -1.744 174.756 176.300 0.334 0.000 1.085 281 M CA -0.588 55.012 55.300 0.500 0.000 1.001 281 M CB 1.039 34.011 32.600 0.620 0.000 1.626 281 M HN 0.581 nan 8.290 nan 0.000 0.442 282 V N 6.682 126.820 119.914 0.373 0.000 2.435 282 V HA 0.498 4.642 4.120 0.040 0.000 0.290 282 V C -0.400 175.920 176.094 0.376 0.000 1.030 282 V CA -0.685 61.785 62.300 0.284 0.000 0.881 282 V CB 1.641 33.601 31.823 0.229 0.000 0.983 282 V HN 0.802 nan 8.190 nan 0.000 0.445 283 L N 5.624 126.997 121.223 0.250 0.000 2.341 283 L HA 0.607 4.971 4.340 0.040 0.000 0.278 283 L C -1.101 175.986 176.870 0.361 0.000 1.005 283 L CA -0.663 54.384 54.840 0.346 0.000 0.818 283 L CB 1.934 44.102 42.059 0.180 0.000 1.259 283 L HN 0.438 nan 8.230 nan 0.000 0.418 284 I N 4.495 125.354 120.570 0.481 0.000 2.355 284 I HA 0.369 4.564 4.170 0.040 0.000 0.288 284 I C -0.565 175.803 176.117 0.418 0.000 0.999 284 I CA -0.223 61.324 61.300 0.411 0.000 1.163 284 I CB 1.649 39.930 38.000 0.468 0.000 1.316 284 I HN 0.311 nan 8.210 nan 0.000 0.454 285 L N 10.171 131.586 121.223 0.320 0.000 2.372 285 L HA 0.725 5.090 4.340 0.040 0.000 0.273 285 L C -2.521 174.408 176.870 0.098 0.000 0.989 285 L CA -1.556 53.412 54.840 0.213 0.000 0.841 285 L CB 1.695 43.770 42.059 0.028 0.000 1.225 285 L HN 0.304 nan 8.230 nan 0.000 0.414 286 P HA 0.194 nan 4.420 nan 0.000 0.276 286 P C -1.205 176.097 177.300 0.003 0.000 1.252 286 P CA -0.581 62.550 63.100 0.053 0.000 0.802 286 P CB 0.696 32.448 31.700 0.087 0.000 1.035 287 K N 1.153 121.546 120.400 -0.011 0.000 2.230 287 K HA 0.138 4.483 4.320 0.040 0.000 0.253 287 K C -1.974 174.603 176.600 -0.037 0.000 1.008 287 K CA -1.145 55.122 56.287 -0.033 0.000 0.910 287 K CB -0.838 31.645 32.500 -0.029 0.000 0.994 287 K HN 0.118 nan 8.250 nan 0.000 0.495 288 P HA -0.194 nan 4.420 nan 0.000 0.216 288 P C 0.470 177.738 177.300 -0.052 0.000 1.153 288 P CA 1.445 64.500 63.100 -0.075 0.000 0.858 288 P CB 0.105 31.741 31.700 -0.106 0.000 0.789 289 E N -0.392 119.783 120.200 -0.041 0.000 2.160 289 E HA -0.131 4.243 4.350 0.040 0.000 0.195 289 E C 0.951 177.545 176.600 -0.010 0.000 0.991 289 E CA 1.100 57.483 56.400 -0.027 0.000 0.810 289 E CB -0.530 29.157 29.700 -0.022 0.000 0.742 289 E HN 0.267 nan 8.360 nan 0.000 0.466 290 K N 0.236 120.635 120.400 -0.001 0.000 2.098 290 K HA 0.313 4.658 4.320 0.040 0.000 0.258 290 K C -0.378 176.240 176.600 0.029 0.000 0.973 290 K CA -0.393 55.906 56.287 0.020 0.000 0.898 290 K CB 1.418 33.938 32.500 0.033 0.000 1.057 290 K HN -0.022 nan 8.250 nan 0.000 0.447 291 S N 2.911 118.635 115.700 0.040 0.000 2.554 291 S HA 0.110 4.605 4.470 0.040 0.000 0.278 291 S C 0.930 175.576 174.600 0.077 0.000 1.242 291 S CA -0.764 57.466 58.200 0.049 0.000 1.051 291 S CB 0.929 64.154 63.200 0.041 0.000 0.986 291 S HN 0.648 nan 8.310 nan 0.000 0.502 292 L N 5.747 127.023 121.223 0.088 0.000 2.191 292 L HA 0.120 4.485 4.340 0.040 0.000 0.212 292 L C 2.322 179.268 176.870 0.127 0.000 1.103 292 L CA 2.388 57.302 54.840 0.125 0.000 0.769 292 L CB -1.293 40.843 42.059 0.128 0.000 0.908 292 L HN 0.872 nan 8.230 nan 0.000 0.438 293 A N -0.369 122.506 122.820 0.093 0.000 1.883 293 A HA -0.236 4.109 4.320 0.040 0.000 0.217 293 A C 2.325 179.959 177.584 0.083 0.000 1.186 293 A CA 1.991 54.075 52.037 0.079 0.000 0.624 293 A CB -0.492 18.536 19.000 0.047 0.000 0.822 293 A HN 0.510 nan 8.150 nan 0.000 0.444 294 K N -0.479 119.967 120.400 0.077 0.000 2.097 294 K HA -0.064 4.280 4.320 0.040 0.000 0.206 294 K C 1.844 178.507 176.600 0.106 0.000 1.049 294 K CA 1.395 57.728 56.287 0.077 0.000 0.933 294 K CB -0.383 32.157 32.500 0.067 0.000 0.717 294 K HN 0.329 nan 8.250 nan 0.000 0.442 295 V N 1.949 121.947 119.914 0.140 0.000 2.515 295 V HA -0.195 3.950 4.120 0.040 0.000 0.250 295 V C 1.941 178.141 176.094 0.177 0.000 1.058 295 V CA 1.628 64.043 62.300 0.190 0.000 1.064 295 V CB -0.421 31.551 31.823 0.249 0.000 0.675 295 V HN 0.327 nan 8.190 nan 0.000 0.461 296 E N 0.109 120.416 120.200 0.178 0.000 2.072 296 E HA -0.219 4.155 4.350 0.040 0.000 0.191 296 E C 2.229 178.916 176.600 0.145 0.000 0.985 296 E CA 1.108 57.634 56.400 0.210 0.000 0.801 296 E CB -0.131 29.717 29.700 0.246 0.000 0.750 296 E HN 0.577 nan 8.360 nan 0.000 0.452 297 K N 0.662 121.119 120.400 0.095 0.000 2.217 297 K HA -0.093 4.252 4.320 0.040 0.000 0.202 297 K C 1.808 178.433 176.600 0.041 0.000 1.051 297 K CA 0.891 57.211 56.287 0.055 0.000 0.952 297 K CB 0.099 32.620 32.500 0.036 0.000 0.736 297 K HN 0.136 nan 8.250 nan 0.000 0.453 298 E N 0.559 120.788 120.200 0.049 0.000 2.318 298 E HA 0.042 4.416 4.350 0.040 0.000 0.193 298 E C 0.162 176.735 176.600 -0.044 0.000 0.998 298 E CA -0.084 56.327 56.400 0.018 0.000 0.859 298 E CB 0.290 30.023 29.700 0.054 0.000 0.812 298 E HN 0.155 nan 8.360 nan 0.000 0.492 299 L N 3.348 124.551 121.223 -0.033 0.000 2.565 299 L HA 0.040 4.404 4.340 0.040 0.000 0.275 299 L C 0.384 177.190 176.870 -0.107 0.000 1.137 299 L CA 0.140 54.901 54.840 -0.132 0.000 0.915 299 L CB -0.031 42.008 42.059 -0.032 0.000 1.232 299 L HN 0.141 nan 8.230 nan 0.000 0.473 300 T N 0.555 115.002 114.554 -0.178 0.000 2.950 300 T HA 0.413 4.787 4.350 0.040 0.000 0.288 300 T C -1.952 172.655 174.700 -0.155 0.000 1.035 300 T CA -2.013 60.013 62.100 -0.124 0.000 1.028 300 T CB 1.857 70.661 68.868 -0.108 0.000 1.109 300 T HN 0.178 nan 8.240 nan 0.000 0.514 301 P HA -0.148 nan 4.420 nan 0.000 0.216 301 P C 1.495 178.715 177.300 -0.133 0.000 1.150 301 P CA 1.082 64.118 63.100 -0.105 0.000 0.843 301 P CB 0.120 31.775 31.700 -0.074 0.000 0.787 302 E N -0.760 119.362 120.200 -0.130 0.000 2.112 302 E HA -0.049 4.325 4.350 0.040 0.000 0.190 302 E C 2.061 178.547 176.600 -0.190 0.000 0.979 302 E CA 0.901 57.227 56.400 -0.122 0.000 0.814 302 E CB -1.371 28.278 29.700 -0.084 0.000 0.762 302 E HN 0.110 nan 8.360 nan 0.000 0.460 303 V N 1.936 121.681 119.914 -0.282 0.000 2.295 303 V HA -0.235 3.909 4.120 0.040 0.000 0.246 303 V C 2.538 178.188 176.094 -0.740 0.000 1.049 303 V CA 1.624 63.625 62.300 -0.499 0.000 1.024 303 V CB -0.645 30.819 31.823 -0.598 0.000 0.648 303 V HN 0.139 nan 8.190 nan 0.000 0.447 304 L N 0.225 121.092 121.223 -0.594 0.000 2.012 304 L HA -0.216 4.148 4.340 0.040 0.000 0.210 304 L C 2.479 179.203 176.870 -0.242 0.000 1.073 304 L CA 2.370 56.918 54.840 -0.487 0.000 0.748 304 L CB -0.855 40.981 42.059 -0.371 0.000 0.891 304 L HN 0.369 nan 8.230 nan 0.000 0.431 305 Q N -0.248 119.449 119.800 -0.173 0.000 2.084 305 Q HA -0.242 4.122 4.340 0.040 0.000 0.202 305 Q C 2.224 178.216 176.000 -0.012 0.000 0.978 305 Q CA 1.915 57.679 55.803 -0.065 0.000 0.844 305 Q CB -0.484 28.231 28.738 -0.038 0.000 0.898 305 Q HN 0.600 nan 8.270 nan 0.000 0.426 306 E N -0.907 119.271 120.200 -0.037 0.000 2.077 306 E HA -0.167 4.207 4.350 0.040 0.000 0.193 306 E C 1.489 178.197 176.600 0.180 0.000 0.989 306 E CA 1.191 57.621 56.400 0.050 0.000 0.800 306 E CB -0.274 29.445 29.700 0.033 0.000 0.746 306 E HN 0.468 nan 8.360 nan 0.000 0.452 307 W N 1.160 122.430 121.300 -0.050 0.000 2.335 307 W HA -0.107 4.579 4.660 0.044 0.000 0.311 307 W C 2.449 178.927 176.519 -0.068 0.000 1.213 307 W CA 0.581 57.888 57.345 -0.065 0.000 1.274 307 W CB -1.207 28.205 29.460 -0.080 0.000 1.148 307 W HN 0.101 nan 8.180 nan 0.000 0.498 308 L N -0.142 121.182 121.223 0.168 0.000 2.127 308 L HA -0.215 4.149 4.340 0.040 0.000 0.211 308 L C 1.859 178.765 176.870 0.059 0.000 1.089 308 L CA 1.366 56.252 54.840 0.077 0.000 0.757 308 L CB -0.893 41.187 42.059 0.035 0.000 0.899 308 L HN -0.117 nan 8.230 nan 0.000 0.434 309 D N -0.045 120.395 120.400 0.066 0.000 2.310 309 D HA -0.133 4.531 4.640 0.040 0.000 0.212 309 D C 1.903 178.226 176.300 0.038 0.000 0.965 309 D CA 0.864 54.892 54.000 0.048 0.000 0.879 309 D CB 0.057 40.887 40.800 0.049 0.000 0.921 309 D HN 0.442 nan 8.370 nan 0.000 0.510 310 E N -0.102 120.123 120.200 0.042 0.000 2.442 310 E HA 0.066 4.440 4.350 0.040 0.000 0.195 310 E C 0.503 177.093 176.600 -0.016 0.000 1.030 310 E CA -0.153 56.253 56.400 0.010 0.000 0.869 310 E CB 0.414 30.111 29.700 -0.006 0.000 0.857 310 E HN 0.263 nan 8.360 nan 0.000 0.505 311 L N 1.732 122.949 121.223 -0.009 0.000 2.485 311 L HA 0.086 4.450 4.340 0.040 0.000 0.275 311 L C 0.184 177.062 176.870 0.013 0.000 1.207 311 L CA 0.415 55.249 54.840 -0.009 0.000 0.855 311 L CB 0.135 42.198 42.059 0.007 0.000 1.114 311 L HN -0.019 nan 8.230 nan 0.000 0.485 312 E N 1.439 121.659 120.200 0.033 0.000 2.366 312 E HA 0.241 4.615 4.350 0.040 0.000 0.278 312 E C -1.231 175.397 176.600 0.047 0.000 0.923 312 E CA -0.632 55.788 56.400 0.034 0.000 0.761 312 E CB 1.491 31.208 29.700 0.029 0.000 1.231 312 E HN 0.438 nan 8.360 nan 0.000 0.443 313 E N 2.603 122.813 120.200 0.016 0.000 2.442 313 E HA 0.196 4.571 4.350 0.040 0.000 0.262 313 E C -0.323 176.278 176.600 0.001 0.000 1.004 313 E CA 0.567 56.963 56.400 -0.006 0.000 0.928 313 E CB 0.714 30.390 29.700 -0.040 0.000 0.937 313 E HN 0.455 nan 8.360 nan 0.000 0.446 314 M N 2.171 121.762 119.600 -0.015 0.000 2.605 314 M HA 0.226 4.731 4.480 0.040 0.000 0.281 314 M C -1.810 174.452 176.300 -0.062 0.000 1.166 314 M CA -0.585 54.702 55.300 -0.023 0.000 0.875 314 M CB 1.810 34.421 32.600 0.019 0.000 1.732 314 M HN 0.336 nan 8.290 nan 0.000 0.504 315 M N 5.642 125.198 119.600 -0.072 0.000 2.144 315 M HA 0.589 5.093 4.480 0.040 0.000 0.356 315 M C -1.015 175.235 176.300 -0.083 0.000 1.217 315 M CA -0.298 54.953 55.300 -0.083 0.000 1.087 315 M CB 0.398 32.952 32.600 -0.077 0.000 1.609 315 M HN 0.731 nan 8.290 nan 0.000 0.467 316 L N 1.316 122.498 121.223 -0.069 0.000 2.630 316 L HA 0.823 5.187 4.340 0.040 0.000 0.258 316 L C -1.382 175.436 176.870 -0.087 0.000 1.072 316 L CA -1.151 53.627 54.840 -0.103 0.000 0.885 316 L CB 1.813 43.739 42.059 -0.222 0.000 1.502 316 L HN 0.231 nan 8.230 nan 0.000 0.406 317 V N 1.342 121.207 119.914 -0.082 0.000 2.439 317 V HA 0.564 4.708 4.120 0.040 0.000 0.282 317 V C -0.100 175.950 176.094 -0.073 0.000 1.039 317 V CA -0.491 61.740 62.300 -0.115 0.000 0.913 317 V CB 1.526 33.375 31.823 0.043 0.000 0.983 317 V HN 0.497 nan 8.190 nan 0.000 0.460 318 V N 4.505 124.279 119.914 -0.233 0.000 2.444 318 V HA 0.448 4.593 4.120 0.040 0.000 0.294 318 V C -1.002 175.067 176.094 -0.042 0.000 1.022 318 V CA -0.625 61.626 62.300 -0.083 0.000 0.850 318 V CB 1.607 33.235 31.823 -0.324 0.000 0.992 318 V HN 0.955 nan 8.190 nan 0.000 0.426 319 H N 5.448 124.608 119.070 0.149 0.000 2.638 319 H HA 0.729 5.309 4.556 0.040 0.000 0.317 319 H C -0.107 175.290 175.328 0.116 0.000 1.006 319 H CA -0.372 55.779 56.048 0.170 0.000 1.222 319 H CB 1.422 31.282 29.762 0.163 0.000 1.419 319 H HN 0.736 nan 8.280 nan 0.000 0.489 320 M N 3.092 122.776 119.600 0.140 0.000 2.386 320 M HA 0.652 5.156 4.480 0.040 0.000 0.293 320 M C -3.265 173.067 176.300 0.052 0.000 1.120 320 M CA -2.079 53.264 55.300 0.072 0.000 0.909 320 M CB 3.563 36.167 32.600 0.008 0.000 1.661 320 M HN 0.192 nan 8.290 nan 0.000 0.452 321 P HA 0.316 nan 4.420 nan 0.000 0.276 321 P C -1.222 176.206 177.300 0.213 0.000 1.244 321 P CA -0.215 63.010 63.100 0.208 0.000 0.801 321 P CB 0.883 32.753 31.700 0.283 0.000 1.006 322 R N 1.424 121.970 120.500 0.077 0.000 2.615 322 R HA 0.612 4.977 4.340 0.040 0.000 0.270 322 R C -0.050 176.312 176.300 0.102 0.000 1.081 322 R CA -0.012 56.065 56.100 -0.038 0.000 1.154 322 R CB 0.167 30.430 30.300 -0.061 0.000 1.063 322 R HN 0.582 nan 8.270 nan 0.000 0.519 323 F N -2.170 117.750 119.950 -0.049 0.000 2.725 323 F HA 0.452 5.000 4.527 0.035 0.000 0.309 323 F C -1.355 174.349 175.800 -0.160 0.000 1.132 323 F CA -1.311 56.630 58.000 -0.099 0.000 0.957 323 F CB 1.458 40.400 39.000 -0.097 0.000 1.286 323 F HN 0.302 nan 8.300 nan 0.000 0.440 324 R N 3.277 123.818 120.500 0.068 0.000 2.502 324 R HA 0.768 5.133 4.340 0.040 0.000 0.300 324 R C -2.123 174.124 176.300 -0.088 0.000 0.984 324 R CA -0.586 55.449 56.100 -0.109 0.000 0.882 324 R CB 1.527 31.794 30.300 -0.055 0.000 1.180 324 R HN 0.899 nan 8.270 nan 0.000 0.444 325 I N 2.956 123.381 120.570 -0.241 0.000 2.465 325 I HA 0.305 4.499 4.170 0.040 0.000 0.291 325 I C -0.708 175.320 176.117 -0.149 0.000 1.014 325 I CA -0.649 60.554 61.300 -0.162 0.000 1.093 325 I CB 2.283 40.177 38.000 -0.177 0.000 1.267 325 I HN 0.613 nan 8.210 nan 0.000 0.431 326 E N 4.765 124.997 120.200 0.054 0.000 2.316 326 E HA 0.336 4.711 4.350 0.040 0.000 0.254 326 E C -1.757 174.938 176.600 0.157 0.000 0.902 326 E CA -0.526 55.998 56.400 0.207 0.000 0.801 326 E CB 1.261 31.142 29.700 0.302 0.000 1.270 326 E HN 0.440 nan 8.360 nan 0.000 0.414 327 D N 2.670 123.197 120.400 0.212 0.000 2.408 327 D HA 0.472 5.136 4.640 0.040 0.000 0.243 327 D C -0.680 175.661 176.300 0.068 0.000 1.075 327 D CA -0.174 53.878 54.000 0.088 0.000 0.832 327 D CB 1.696 42.601 40.800 0.175 0.000 1.162 327 D HN 0.447 nan 8.370 nan 0.000 0.515 328 G N 1.749 110.495 108.800 -0.090 0.000 2.388 328 G HA2 0.591 4.575 3.960 0.040 0.000 0.330 328 G HA3 0.591 4.575 3.960 0.040 0.000 0.330 328 G C -1.073 173.756 174.900 -0.119 0.000 1.142 328 G CA -0.407 44.706 45.100 0.023 0.000 0.908 328 G HN 0.304 nan 8.290 nan 0.000 0.473 329 F N 0.153 120.251 119.950 0.247 0.000 2.551 329 F HA 0.597 5.159 4.527 0.058 0.000 0.316 329 F C 0.450 176.494 175.800 0.406 0.000 1.089 329 F CA -0.955 57.236 58.000 0.319 0.000 0.915 329 F CB 2.915 42.158 39.000 0.405 0.000 1.186 329 F HN 0.383 nan 8.300 nan 0.000 0.456 330 S N 3.283 119.305 115.700 0.537 0.000 2.577 330 S HA 0.427 4.921 4.470 0.040 0.000 0.294 330 S C 0.736 175.523 174.600 0.312 0.000 1.161 330 S CA -0.551 57.930 58.200 0.468 0.000 1.143 330 S CB 0.080 63.532 63.200 0.420 0.000 0.991 330 S HN 0.709 nan 8.310 nan 0.000 0.475 331 L N 4.235 125.628 121.223 0.284 0.000 2.201 331 L HA -0.015 4.349 4.340 0.040 0.000 0.212 331 L C 2.696 179.616 176.870 0.083 0.000 1.105 331 L CA 0.760 55.769 54.840 0.282 0.000 0.775 331 L CB -0.305 41.992 42.059 0.395 0.000 0.913 331 L HN 0.617 nan 8.230 nan 0.000 0.440 332 K N 0.891 121.193 120.400 -0.162 0.000 2.015 332 K HA -0.316 4.029 4.320 0.040 0.000 0.216 332 K C 1.998 178.377 176.600 -0.368 0.000 1.052 332 K CA 2.318 58.219 56.287 -0.644 0.000 0.937 332 K CB -0.133 31.887 32.500 -0.800 0.000 0.719 332 K HN 0.341 nan 8.250 nan 0.000 0.446 333 E N 0.423 120.522 120.200 -0.167 0.000 2.035 333 E HA -0.321 4.053 4.350 0.040 0.000 0.204 333 E C 2.220 178.787 176.600 -0.055 0.000 1.025 333 E CA 2.020 58.371 56.400 -0.082 0.000 0.835 333 E CB -0.136 29.557 29.700 -0.011 0.000 0.764 333 E HN 0.413 nan 8.360 nan 0.000 0.457 334 Q N 0.005 119.793 119.800 -0.020 0.000 2.046 334 Q HA -0.150 4.214 4.340 0.040 0.000 0.200 334 Q C 2.511 178.419 176.000 -0.154 0.000 0.975 334 Q CA 1.364 57.111 55.803 -0.092 0.000 0.836 334 Q CB -0.063 28.599 28.738 -0.125 0.000 0.896 334 Q HN 0.403 nan 8.270 nan 0.000 0.428 335 L N 0.392 121.598 121.223 -0.028 0.000 2.042 335 L HA -0.264 4.101 4.340 0.040 0.000 0.210 335 L C 2.595 179.456 176.870 -0.015 0.000 1.076 335 L CA 1.488 56.322 54.840 -0.010 0.000 0.749 335 L CB -0.483 41.641 42.059 0.109 0.000 0.893 335 L HN 0.368 nan 8.230 nan 0.000 0.432 336 Q N -0.305 119.496 119.800 0.002 0.000 2.050 336 Q HA -0.257 4.107 4.340 0.040 0.000 0.202 336 Q C 1.611 177.599 176.000 -0.021 0.000 0.980 336 Q CA 1.840 57.666 55.803 0.038 0.000 0.840 336 Q CB -0.200 28.540 28.738 0.003 0.000 0.898 336 Q HN 0.394 nan 8.270 nan 0.000 0.424 337 D N -0.431 119.934 120.400 -0.059 0.000 2.392 337 D HA -0.064 4.600 4.640 0.040 0.000 0.228 337 D C 1.035 177.267 176.300 -0.113 0.000 1.003 337 D CA 0.723 54.692 54.000 -0.052 0.000 0.917 337 D CB 0.217 41.015 40.800 -0.003 0.000 0.890 337 D HN 0.175 nan 8.370 nan 0.000 0.532 338 M N -1.996 117.500 119.600 -0.174 0.000 2.333 338 M HA 0.274 4.778 4.480 0.040 0.000 0.257 338 M C 1.157 177.373 176.300 -0.139 0.000 1.078 338 M CA 0.333 55.510 55.300 -0.206 0.000 1.005 338 M CB 1.403 33.826 32.600 -0.295 0.000 1.444 338 M HN 0.127 nan 8.290 nan 0.000 0.496 339 G N 1.253 109.999 108.800 -0.091 0.000 2.192 339 G HA2 -0.177 3.807 3.960 0.040 0.000 0.193 339 G HA3 -0.177 3.807 3.960 0.040 0.000 0.193 339 G C -0.343 174.517 174.900 -0.066 0.000 0.999 339 G CA -0.613 44.443 45.100 -0.074 0.000 0.659 339 G HN 0.285 nan 8.290 nan 0.000 0.503 340 L N 2.661 123.854 121.223 -0.049 0.000 2.352 340 L HA 0.671 5.035 4.340 0.040 0.000 0.272 340 L C 1.293 178.246 176.870 0.138 0.000 1.109 340 L CA -0.064 54.773 54.840 -0.005 0.000 0.952 340 L CB 0.970 43.017 42.059 -0.019 0.000 1.314 340 L HN 0.016 nan 8.230 nan 0.000 0.427 341 V N 1.834 121.795 119.914 0.079 0.000 2.635 341 V HA -0.000 4.144 4.120 0.040 0.000 0.233 341 V C 1.587 177.746 176.094 0.108 0.000 1.097 341 V CA 0.744 63.122 62.300 0.129 0.000 1.134 341 V CB -0.412 31.451 31.823 0.066 0.000 0.841 341 V HN 0.536 nan 8.190 nan 0.000 0.496 342 D N 0.848 121.268 120.400 0.033 0.000 2.157 342 D HA -0.251 4.413 4.640 0.040 0.000 0.191 342 D C 1.910 178.204 176.300 -0.011 0.000 1.004 342 D CA 1.716 55.724 54.000 0.014 0.000 0.854 342 D CB -0.543 40.254 40.800 -0.006 0.000 0.936 342 D HN 0.277 nan 8.370 nan 0.000 0.446 343 L N -0.452 120.697 121.223 -0.123 0.000 2.089 343 L HA -0.196 4.168 4.340 0.040 0.000 0.213 343 L C 1.314 178.025 176.870 -0.264 0.000 1.079 343 L CA 1.677 56.351 54.840 -0.277 0.000 0.758 343 L CB -0.402 41.336 42.059 -0.536 0.000 0.891 343 L HN 0.006 nan 8.230 nan 0.000 0.433 344 F N -1.723 118.317 119.950 0.150 0.000 2.641 344 F HA 0.340 4.888 4.527 0.036 0.000 0.302 344 F C 1.106 177.009 175.800 0.171 0.000 1.098 344 F CA -0.113 58.004 58.000 0.195 0.000 1.318 344 F CB -0.346 38.735 39.000 0.136 0.000 1.035 344 F HN -0.047 nan 8.300 nan 0.000 0.551 345 S N 0.730 116.554 115.700 0.207 0.000 2.456 345 S HA 0.346 4.840 4.470 0.040 0.000 0.316 345 S C -1.806 172.749 174.600 -0.074 0.000 1.089 345 S CA -1.602 56.627 58.200 0.049 0.000 1.101 345 S CB 1.283 64.507 63.200 0.041 0.000 0.995 345 S HN -0.157 nan 8.310 nan 0.000 0.468 346 P HA -0.095 nan 4.420 nan 0.000 0.218 346 P C 0.972 178.179 177.300 -0.154 0.000 1.148 346 P CA 0.975 63.815 63.100 -0.433 0.000 0.822 346 P CB 0.229 31.548 31.700 -0.635 0.000 0.784 347 E N -0.106 120.030 120.200 -0.105 0.000 2.086 347 E HA -0.043 4.331 4.350 0.040 0.000 0.190 347 E C 1.616 178.202 176.600 -0.024 0.000 0.975 347 E CA 1.045 57.414 56.400 -0.052 0.000 0.813 347 E CB -0.440 29.235 29.700 -0.042 0.000 0.768 347 E HN 0.388 nan 8.360 nan 0.000 0.457 348 K N 1.204 121.595 120.400 -0.015 0.000 2.262 348 K HA 0.093 4.437 4.320 0.040 0.000 0.200 348 K C 1.219 177.825 176.600 0.009 0.000 1.049 348 K CA 0.043 56.330 56.287 0.000 0.000 0.979 348 K CB 0.224 32.728 32.500 0.006 0.000 0.773 348 K HN -0.122 nan 8.250 nan 0.000 0.474 349 S N 1.720 117.434 115.700 0.022 0.000 2.575 349 S HA -0.018 4.477 4.470 0.040 0.000 0.295 349 S C -0.220 174.397 174.600 0.027 0.000 1.267 349 S CA 0.083 58.306 58.200 0.038 0.000 1.074 349 S CB 0.228 63.492 63.200 0.107 0.000 0.829 349 S HN -0.001 nan 8.310 nan 0.000 0.497 350 K N 4.543 124.949 120.400 0.010 0.000 2.562 350 K HA 0.418 4.762 4.320 0.040 0.000 0.206 350 K C -1.439 175.150 176.600 -0.017 0.000 1.033 350 K CA -0.206 56.080 56.287 -0.001 0.000 1.029 350 K CB 0.809 33.306 32.500 -0.005 0.000 1.393 350 K HN 0.425 nan 8.250 nan 0.000 0.539 351 L N 3.900 125.115 121.223 -0.012 0.000 2.599 351 L HA 0.322 4.687 4.340 0.040 0.000 0.241 351 L C -1.673 175.168 176.870 -0.049 0.000 1.207 351 L CA -1.660 53.156 54.840 -0.040 0.000 0.987 351 L CB 1.049 43.106 42.059 -0.002 0.000 1.318 351 L HN 0.265 nan 8.230 nan 0.000 0.458 352 P HA -0.008 nan 4.420 nan 0.000 0.251 352 P C 1.094 178.348 177.300 -0.078 0.000 1.251 352 P CA 0.491 63.556 63.100 -0.057 0.000 0.763 352 P CB 0.388 32.058 31.700 -0.050 0.000 1.067 353 G N -0.411 108.312 108.800 -0.129 0.000 2.796 353 G HA2 0.177 4.161 3.960 0.040 0.000 0.210 353 G HA3 0.177 4.161 3.960 0.040 0.000 0.210 353 G C 0.579 175.545 174.900 0.110 0.000 1.146 353 G CA -0.048 44.970 45.100 -0.136 0.000 0.779 353 G HN 0.223 nan 8.290 nan 0.000 0.535 354 I N 1.278 121.881 120.570 0.055 0.000 2.404 354 I HA 0.483 4.677 4.170 0.040 0.000 0.293 354 I C -0.921 175.150 176.117 -0.076 0.000 0.992 354 I CA -0.883 60.404 61.300 -0.022 0.000 1.149 354 I CB 2.344 40.341 38.000 -0.005 0.000 1.315 354 I HN -0.292 nan 8.210 nan 0.000 0.446 355 V N 4.656 124.492 119.914 -0.131 0.000 2.789 355 V HA 0.831 4.976 4.120 0.040 0.000 0.311 355 V C -0.424 175.603 176.094 -0.111 0.000 1.073 355 V CA -0.545 61.702 62.300 -0.089 0.000 0.921 355 V CB 2.008 33.796 31.823 -0.058 0.000 1.009 355 V HN 0.848 nan 8.190 nan 0.000 0.426 356 A N 2.237 125.017 122.820 -0.068 0.000 2.398 356 A HA 0.786 5.131 4.320 0.040 0.000 0.301 356 A C -0.005 177.561 177.584 -0.031 0.000 1.041 356 A CA -0.067 51.935 52.037 -0.058 0.000 0.711 356 A CB 1.385 20.358 19.000 -0.044 0.000 1.240 356 A HN 1.323 nan 8.150 nan 0.000 0.420 357 E N 1.109 121.291 120.200 -0.029 0.000 2.924 357 E HA 0.366 4.740 4.350 0.040 0.000 0.236 357 E C 1.390 177.985 176.600 -0.009 0.000 1.028 357 E CA 0.838 57.227 56.400 -0.018 0.000 0.952 357 E CB -1.041 28.649 29.700 -0.016 0.000 0.918 357 E HN 2.597 nan 8.360 nan 0.000 0.536 358 G N 2.476 111.272 108.800 -0.007 0.000 2.416 358 G HA2 -0.350 3.634 3.960 0.040 0.000 0.301 358 G HA3 -0.350 3.634 3.960 0.040 0.000 0.301 358 G C 0.469 175.371 174.900 0.005 0.000 0.985 358 G CA 0.818 45.917 45.100 -0.001 0.000 0.934 358 G HN 0.906 nan 8.290 nan 0.000 0.513 359 R N 0.119 120.622 120.500 0.005 0.000 2.221 359 R HA 0.294 4.658 4.340 0.040 0.000 0.327 359 R C 1.404 177.718 176.300 0.023 0.000 1.033 359 R CA -0.379 55.731 56.100 0.018 0.000 0.887 359 R CB 0.402 30.714 30.300 0.019 0.000 1.057 359 R HN 0.263 nan 8.270 nan 0.000 0.455 360 D N 2.588 123.004 120.400 0.027 0.000 2.240 360 D HA -0.198 4.466 4.640 0.040 0.000 0.204 360 D C -0.146 176.174 176.300 0.033 0.000 1.018 360 D CA 1.716 55.730 54.000 0.023 0.000 0.887 360 D CB -0.024 40.787 40.800 0.018 0.000 1.087 360 D HN 0.632 nan 8.370 nan 0.000 0.464 361 D N 0.044 120.476 120.400 0.053 0.000 2.308 361 D HA 0.457 5.121 4.640 0.040 0.000 0.242 361 D C -0.445 175.979 176.300 0.206 0.000 1.059 361 D CA -0.440 53.608 54.000 0.081 0.000 0.830 361 D CB 1.512 42.319 40.800 0.012 0.000 1.161 361 D HN 0.093 nan 8.370 nan 0.000 0.494 362 L N 2.468 123.808 121.223 0.195 0.000 2.305 362 L HA 0.513 4.877 4.340 0.040 0.000 0.284 362 L C -1.020 176.024 176.870 0.290 0.000 1.013 362 L CA -1.008 53.961 54.840 0.214 0.000 0.819 362 L CB 0.467 42.568 42.059 0.071 0.000 1.227 362 L HN 0.494 nan 8.230 nan 0.000 0.417 363 Y N 1.414 121.735 120.300 0.035 0.000 2.689 363 Y HA 0.630 5.204 4.550 0.040 0.000 0.333 363 Y C -0.890 175.049 175.900 0.065 0.000 1.190 363 Y CA -1.687 56.435 58.100 0.037 0.000 1.063 363 Y CB 0.791 39.282 38.460 0.051 0.000 1.294 363 Y HN 0.038 nan 8.280 nan 0.000 0.466 364 V N 2.560 122.460 119.914 -0.024 0.000 2.408 364 V HA 0.147 4.291 4.120 0.040 0.000 0.267 364 V C 0.626 176.776 176.094 0.094 0.000 1.047 364 V CA 0.427 62.711 62.300 -0.027 0.000 0.937 364 V CB 0.591 32.421 31.823 0.011 0.000 0.999 364 V HN 1.015 nan 8.190 nan 0.000 0.472 365 S N 3.131 118.764 115.700 -0.110 0.000 2.368 365 S HA -0.026 4.468 4.470 0.040 0.000 0.224 365 S C 0.573 175.231 174.600 0.096 0.000 1.029 365 S CA 0.986 59.184 58.200 -0.003 0.000 0.988 365 S CB -0.036 63.099 63.200 -0.108 0.000 0.838 365 S HN 0.908 nan 8.310 nan 0.000 0.462 366 D N -2.002 118.413 120.400 0.025 0.000 2.755 366 D HA 0.552 5.216 4.640 0.040 0.000 0.277 366 D C -1.920 174.222 176.300 -0.262 0.000 1.261 366 D CA -0.275 53.630 54.000 -0.158 0.000 0.759 366 D CB 1.909 42.497 40.800 -0.353 0.000 1.279 366 D HN 0.159 nan 8.370 nan 0.000 0.420 367 A N 1.188 123.748 122.820 -0.433 0.000 2.408 367 A HA 0.704 5.048 4.320 0.040 0.000 0.295 367 A C -1.644 175.697 177.584 -0.404 0.000 1.040 367 A CA -0.498 51.381 52.037 -0.263 0.000 0.707 367 A CB 0.651 19.741 19.000 0.151 0.000 1.235 367 A HN 0.245 nan 8.150 nan 0.000 0.418 368 F N 0.841 120.940 119.950 0.248 0.000 2.522 368 F HA 0.716 5.266 4.527 0.039 0.000 0.324 368 F C 0.179 176.188 175.800 0.348 0.000 1.077 368 F CA -0.332 57.838 58.000 0.283 0.000 0.944 368 F CB 2.189 41.319 39.000 0.217 0.000 1.175 368 F HN 0.764 nan 8.300 nan 0.000 0.468 369 H N 1.340 120.697 119.070 0.479 0.000 2.954 369 H HA 0.548 5.132 4.556 0.046 0.000 0.361 369 H C -1.665 173.943 175.328 0.467 0.000 1.122 369 H CA -0.919 55.359 56.048 0.385 0.000 1.217 369 H CB 1.798 31.725 29.762 0.276 0.000 1.776 369 H HN 0.658 nan 8.280 nan 0.000 0.533 370 K N 3.357 123.662 120.400 -0.159 0.000 2.426 370 K HA 0.855 5.199 4.320 0.040 0.000 0.251 370 K C -1.744 174.797 176.600 -0.098 0.000 0.941 370 K CA -0.825 55.443 56.287 -0.033 0.000 0.808 370 K CB 1.938 34.506 32.500 0.113 0.000 1.265 370 K HN 0.675 nan 8.250 nan 0.000 0.432 371 A N 2.606 125.526 122.820 0.167 0.000 2.435 371 A HA 0.734 5.078 4.320 0.040 0.000 0.304 371 A C -1.945 175.965 177.584 0.543 0.000 1.064 371 A CA -0.582 51.692 52.037 0.395 0.000 0.727 371 A CB 0.874 20.140 19.000 0.442 0.000 1.284 371 A HN 0.609 nan 8.150 nan 0.000 0.415 372 F N 2.378 122.550 119.950 0.370 0.000 2.553 372 F HA 0.645 5.196 4.527 0.040 0.000 0.335 372 F C -1.496 174.294 175.800 -0.017 0.000 1.148 372 F CA -1.013 57.099 58.000 0.187 0.000 0.963 372 F CB 1.693 40.788 39.000 0.158 0.000 1.217 372 F HN 0.484 nan 8.300 nan 0.000 0.441 373 L N 6.050 126.617 121.223 -1.093 0.000 2.356 373 L HA 0.568 4.933 4.340 0.040 0.000 0.277 373 L C -1.280 174.959 176.870 -1.051 0.000 0.996 373 L CA -0.242 53.916 54.840 -1.136 0.000 0.822 373 L CB 1.716 42.775 42.059 -1.666 0.000 1.256 373 L HN 0.698 nan 8.230 nan 0.000 0.413 374 E N 4.209 123.930 120.200 -0.798 0.000 2.244 374 E HA 0.547 4.921 4.350 0.040 0.000 0.260 374 E C -1.957 174.355 176.600 -0.480 0.000 0.884 374 E CA -0.564 55.508 56.400 -0.547 0.000 0.777 374 E CB 1.949 31.475 29.700 -0.289 0.000 1.197 374 E HN 0.492 nan 8.360 nan 0.000 0.416 375 V N 4.788 124.318 119.914 -0.640 0.000 2.495 375 V HA 0.489 4.633 4.120 0.040 0.000 0.298 375 V C -0.418 175.458 176.094 -0.363 0.000 1.031 375 V CA -0.554 61.391 62.300 -0.591 0.000 0.871 375 V CB 1.609 32.824 31.823 -1.014 0.000 0.988 375 V HN 0.845 nan 8.190 nan 0.000 0.432 376 N N 2.163 120.762 118.700 -0.168 0.000 3.243 376 N HA 0.363 5.127 4.740 0.040 0.000 0.280 376 N C 0.234 175.817 175.510 0.123 0.000 1.545 376 N CA -0.887 52.127 53.050 -0.060 0.000 0.854 376 N CB 0.830 39.282 38.487 -0.058 0.000 1.612 376 N HN 0.225 nan 8.380 nan 0.000 0.577 377 E N -0.367 119.905 120.200 0.120 0.000 2.171 377 E HA -0.157 4.217 4.350 0.040 0.000 0.197 377 E C 0.767 177.635 176.600 0.448 0.000 0.997 377 E CA 1.388 57.965 56.400 0.294 0.000 0.810 377 E CB -0.052 29.770 29.700 0.204 0.000 0.738 377 E HN 0.490 nan 8.360 nan 0.000 0.467 378 E N -0.868 119.476 120.200 0.240 0.000 2.230 378 E HA 0.125 4.499 4.350 0.040 0.000 0.192 378 E C 1.163 177.780 176.600 0.028 0.000 0.987 378 E CA 0.902 57.407 56.400 0.175 0.000 0.841 378 E CB 0.654 30.389 29.700 0.057 0.000 0.783 378 E HN 0.254 nan 8.360 nan 0.000 0.481 379 G N 0.613 109.239 108.800 -0.290 0.000 2.217 379 G HA2 -0.167 3.817 3.960 0.040 0.000 0.126 379 G HA3 -0.167 3.817 3.960 0.040 0.000 0.126 379 G C -0.759 173.743 174.900 -0.663 0.000 1.293 379 G CA -0.048 44.365 45.100 -1.145 0.000 1.219 379 G HN 0.070 nan 8.290 nan 0.000 0.477 380 S N 1.010 116.423 115.700 -0.478 0.000 2.790 380 S HA 0.820 5.314 4.470 0.040 0.000 0.202 380 S C 0.218 174.588 174.600 -0.384 0.000 1.383 380 S CA 1.109 59.072 58.200 -0.395 0.000 1.026 380 S CB -0.699 62.262 63.200 -0.399 0.000 1.253 380 S HN 2.234 nan 8.310 nan 0.000 0.489 381 A N 2.386 125.053 122.820 -0.255 0.000 3.269 381 A HA 0.791 5.135 4.320 0.040 0.000 0.296 381 A C -0.753 176.779 177.584 -0.086 0.000 1.061 381 A CA -0.292 51.641 52.037 -0.174 0.000 0.577 381 A CB -0.288 18.597 19.000 -0.192 0.000 1.557 381 A HN 1.265 nan 8.150 nan 0.000 0.712 382 A N 0.071 122.860 122.820 -0.053 0.000 2.450 382 A HA 0.647 4.991 4.320 0.040 0.000 0.255 382 A C 0.795 178.367 177.584 -0.020 0.000 1.096 382 A CA 0.541 52.565 52.037 -0.022 0.000 0.778 382 A CB -0.576 18.416 19.000 -0.012 0.000 1.031 382 A HN 2.422 nan 8.150 nan 0.000 0.494 383 A N 1.781 124.595 122.820 -0.010 0.000 2.409 383 A HA 0.614 4.958 4.320 0.040 0.000 0.246 383 A C 0.754 178.345 177.584 0.011 0.000 1.099 383 A CA 0.664 52.702 52.037 0.001 0.000 0.789 383 A CB 0.035 19.037 19.000 0.002 0.000 1.053 383 A HN 2.523 nan 8.150 nan 0.000 0.503 384 A N -1.171 121.663 122.820 0.024 0.000 2.594 384 A HA 0.679 5.024 4.320 0.040 0.000 0.307 384 A C 0.294 177.899 177.584 0.035 0.000 1.203 384 A CA 0.339 52.392 52.037 0.027 0.000 0.644 384 A CB 0.019 19.038 19.000 0.032 0.000 1.349 384 A HN 1.054 nan 8.150 nan 0.000 0.510 385 S N 0.278 115.999 115.700 0.035 0.000 2.629 385 S HA 0.174 4.669 4.470 0.040 0.000 0.236 385 S C -0.012 174.614 174.600 0.045 0.000 1.010 385 S CA 0.206 58.428 58.200 0.037 0.000 0.981 385 S CB 0.151 63.368 63.200 0.028 0.000 0.919 385 S HN 0.739 nan 8.310 nan 0.000 0.514 386 T N 3.856 118.441 114.554 0.051 0.000 2.750 386 T HA 0.244 4.619 4.350 0.040 0.000 0.277 386 T C 0.470 175.208 174.700 0.063 0.000 0.996 386 T CA 0.262 62.396 62.100 0.056 0.000 1.195 386 T CB 0.103 69.011 68.868 0.067 0.000 0.963 386 T HN 0.381 nan 8.240 nan 0.000 0.516 387 A N 3.858 126.708 122.820 0.051 0.000 2.248 387 A HA 0.801 5.146 4.320 0.040 0.000 0.316 387 A C -0.249 177.363 177.584 0.048 0.000 1.101 387 A CA -0.682 51.386 52.037 0.052 0.000 0.875 387 A CB 1.033 20.058 19.000 0.041 0.000 1.207 387 A HN 0.642 nan 8.150 nan 0.000 0.504 388 V N 0.013 119.954 119.914 0.046 0.000 2.709 388 V HA 0.510 4.654 4.120 0.040 0.000 0.308 388 V C -0.910 175.200 176.094 0.026 0.000 1.062 388 V CA -0.447 61.873 62.300 0.034 0.000 0.901 388 V CB 1.808 33.650 31.823 0.032 0.000 1.003 388 V HN 0.635 nan 8.190 nan 0.000 0.425 389 V N 5.852 125.775 119.914 0.015 0.000 2.407 389 V HA 0.529 4.673 4.120 0.040 0.000 0.291 389 V C -0.451 175.644 176.094 0.002 0.000 1.018 389 V CA -0.299 62.008 62.300 0.011 0.000 0.842 389 V CB 1.689 33.518 31.823 0.010 0.000 0.996 389 V HN 0.701 nan 8.190 nan 0.000 0.426 390 I N 4.622 125.193 120.570 0.002 0.000 2.390 390 I HA 0.670 4.864 4.170 0.040 0.000 0.283 390 I C 0.429 176.542 176.117 -0.005 0.000 1.016 390 I CA -0.391 60.904 61.300 -0.008 0.000 1.151 390 I CB 1.561 39.553 38.000 -0.014 0.000 1.293 390 I HN 0.649 nan 8.210 nan 0.000 0.458 391 A N 4.198 127.013 122.820 -0.008 0.000 2.306 391 A HA 0.702 5.046 4.320 0.040 0.000 0.314 391 A C 0.919 178.497 177.584 -0.010 0.000 1.164 391 A CA -0.012 52.022 52.037 -0.006 0.000 0.822 391 A CB 0.844 19.841 19.000 -0.005 0.000 1.130 391 A HN 1.094 nan 8.150 nan 0.000 0.496 392 G N 0.942 109.738 108.800 -0.008 0.000 2.350 392 G HA2 -0.211 3.773 3.960 0.040 0.000 0.298 392 G HA3 -0.211 3.773 3.960 0.040 0.000 0.298 392 G C 0.116 175.008 174.900 -0.013 0.000 1.037 392 G CA 0.840 45.934 45.100 -0.009 0.000 1.074 392 G HN 1.157 nan 8.290 nan 0.000 0.511 393 R N -0.657 119.836 120.500 -0.013 0.000 2.480 393 R HA 0.667 5.031 4.340 0.040 0.000 0.306 393 R C -0.848 175.445 176.300 -0.012 0.000 0.958 393 R CA -0.262 55.828 56.100 -0.018 0.000 0.861 393 R CB 1.656 31.942 30.300 -0.023 0.000 1.171 393 R HN 0.308 nan 8.270 nan 0.000 0.445 394 S N 6.025 121.717 115.700 -0.014 0.000 2.789 394 S HA 0.398 4.893 4.470 0.040 0.000 0.286 394 S C -0.741 173.850 174.600 -0.014 0.000 1.153 394 S CA -0.728 57.466 58.200 -0.010 0.000 1.084 394 S CB 0.480 63.675 63.200 -0.008 0.000 1.036 394 S HN 0.564 nan 8.310 nan 0.000 0.484 395 L N 3.456 124.671 121.223 -0.013 0.000 2.375 395 L HA 0.509 4.873 4.340 0.040 0.000 0.268 395 L C 0.957 177.821 176.870 -0.011 0.000 1.058 395 L CA -1.114 53.715 54.840 -0.018 0.000 0.803 395 L CB 0.599 42.644 42.059 -0.022 0.000 1.212 395 L HN 0.596 nan 8.230 nan 0.000 0.451 396 N N 3.560 122.251 118.700 -0.015 0.000 2.365 396 N HA -0.033 4.731 4.740 0.040 0.000 0.265 396 N C -1.550 173.958 175.510 -0.005 0.000 1.288 396 N CA -0.832 52.211 53.050 -0.011 0.000 0.869 396 N CB 1.113 39.592 38.487 -0.014 0.000 1.071 396 N HN 0.382 nan 8.380 nan 0.000 0.480 397 P HA -0.103 nan 4.420 nan 0.000 0.221 397 P C -0.318 176.985 177.300 0.006 0.000 1.145 397 P CA 1.085 64.188 63.100 0.006 0.000 0.795 397 P CB 0.335 32.038 31.700 0.006 0.000 0.775 398 N N 0.808 119.509 118.700 0.001 0.000 2.908 398 N HA 0.106 4.870 4.740 0.040 0.000 0.316 398 N C 0.173 175.680 175.510 -0.005 0.000 1.619 398 N CA -0.201 52.850 53.050 0.001 0.000 1.045 398 N CB 0.572 39.060 38.487 0.001 0.000 1.357 398 N HN 0.402 nan 8.380 nan 0.000 0.501 399 R N -1.346 119.148 120.500 -0.009 0.000 2.536 399 R HA 0.540 4.905 4.340 0.040 0.000 0.279 399 R C -0.004 176.276 176.300 -0.033 0.000 1.001 399 R CA -0.662 55.423 56.100 -0.026 0.000 1.027 399 R CB 0.896 31.177 30.300 -0.032 0.000 1.096 399 R HN -0.276 nan 8.270 nan 0.000 0.502 400 V N 1.367 121.239 119.914 -0.071 0.000 2.843 400 V HA 0.100 4.244 4.120 0.040 0.000 0.305 400 V C 0.570 176.609 176.094 -0.090 0.000 1.065 400 V CA 0.217 62.459 62.300 -0.095 0.000 1.116 400 V CB 1.338 33.037 31.823 -0.206 0.000 0.968 400 V HN 0.893 nan 8.190 nan 0.000 0.487 401 T N 4.162 118.700 114.554 -0.027 0.000 2.856 401 T HA 0.588 4.962 4.350 0.040 0.000 0.283 401 T C -1.196 173.557 174.700 0.089 0.000 1.008 401 T CA -0.474 61.653 62.100 0.045 0.000 0.997 401 T CB 0.776 69.690 68.868 0.077 0.000 0.992 401 T HN 0.455 nan 8.240 nan 0.000 0.454 402 F N 4.663 124.594 119.950 -0.032 0.000 2.430 402 F HA 0.553 5.105 4.527 0.040 0.000 0.362 402 F C -0.239 175.587 175.800 0.043 0.000 1.103 402 F CA -0.790 57.197 58.000 -0.021 0.000 1.045 402 F CB 0.886 39.835 39.000 -0.086 0.000 1.276 402 F HN 0.491 nan 8.300 nan 0.000 0.444 403 K N 5.132 125.362 120.400 -0.284 0.000 2.414 403 K HA 0.625 4.970 4.320 0.040 0.000 0.251 403 K C -0.526 175.875 176.600 -0.332 0.000 1.037 403 K CA -0.530 55.634 56.287 -0.205 0.000 0.980 403 K CB 1.032 33.382 32.500 -0.250 0.000 1.280 403 K HN 0.650 nan 8.250 nan 0.000 0.451 404 A N 4.429 127.081 122.820 -0.281 0.000 3.056 404 A HA 0.080 4.424 4.320 0.040 0.000 0.274 404 A C 0.056 177.703 177.584 0.104 0.000 1.661 404 A CA -0.537 51.374 52.037 -0.209 0.000 1.363 404 A CB -0.544 18.222 19.000 -0.390 0.000 1.139 404 A HN 0.823 nan 8.150 nan 0.000 0.598 405 N N 1.153 119.859 118.700 0.009 0.000 2.321 405 N HA 0.102 4.866 4.740 0.040 0.000 0.242 405 N C -0.077 175.092 175.510 -0.568 0.000 1.141 405 N CA -0.370 52.675 53.050 -0.008 0.000 0.864 405 N CB -0.005 38.523 38.487 0.068 0.000 1.100 405 N HN 0.731 nan 8.380 nan 0.000 0.510 406 R N -2.050 118.159 120.500 -0.485 0.000 2.739 406 R HA 0.605 4.969 4.340 0.040 0.000 0.271 406 R C -3.294 172.993 176.300 -0.022 0.000 1.010 406 R CA -1.855 53.884 56.100 -0.602 0.000 0.897 406 R CB 0.191 30.358 30.300 -0.222 0.000 1.236 406 R HN -0.211 nan 8.270 nan 0.000 0.466 407 P HA -0.068 nan 4.420 nan 0.000 0.263 407 P C -1.242 176.197 177.300 0.233 0.000 1.175 407 P CA 0.490 63.723 63.100 0.221 0.000 0.761 407 P CB 0.085 31.868 31.700 0.137 0.000 0.794 408 F N 0.711 120.764 119.950 0.172 0.000 2.631 408 F HA 0.586 5.134 4.527 0.035 0.000 0.308 408 F C -1.193 174.705 175.800 0.164 0.000 1.097 408 F CA -1.584 56.519 58.000 0.171 0.000 0.952 408 F CB 0.698 39.817 39.000 0.199 0.000 1.307 408 F HN -0.032 nan 8.300 nan 0.000 0.450 409 L N 2.001 123.450 121.223 0.376 0.000 2.456 409 L HA 0.760 5.125 4.340 0.040 0.000 0.257 409 L C -0.553 176.559 176.870 0.404 0.000 1.162 409 L CA -1.223 53.774 54.840 0.261 0.000 0.808 409 L CB 1.384 43.645 42.059 0.338 0.000 1.136 409 L HN 0.583 nan 8.230 nan 0.000 0.466 410 V N 0.921 120.932 119.914 0.163 0.000 2.733 410 V HA 0.482 4.626 4.120 0.040 0.000 0.306 410 V C -1.064 175.044 176.094 0.025 0.000 1.084 410 V CA -0.524 61.962 62.300 0.311 0.000 0.905 410 V CB 1.977 34.011 31.823 0.351 0.000 1.010 410 V HN 0.387 nan 8.190 nan 0.000 0.424 411 F N 4.276 124.415 119.950 0.316 0.000 2.565 411 F HA 0.688 5.205 4.527 -0.017 0.000 0.313 411 F C -0.436 175.566 175.800 0.337 0.000 1.091 411 F CA -0.880 57.280 58.000 0.267 0.000 0.915 411 F CB 2.085 41.191 39.000 0.175 0.000 1.208 411 F HN 0.146 nan 8.300 nan 0.000 0.453 412 I N 3.794 124.659 120.570 0.493 0.000 2.410 412 I HA 0.448 4.643 4.170 0.040 0.000 0.286 412 I C -0.433 175.857 176.117 0.289 0.000 1.009 412 I CA -0.675 60.890 61.300 0.441 0.000 1.111 412 I CB 1.517 39.817 38.000 0.500 0.000 1.262 412 I HN 0.678 nan 8.210 nan 0.000 0.443 413 R N 3.692 124.330 120.500 0.231 0.000 2.807 413 R HA 0.614 4.978 4.340 0.040 0.000 0.276 413 R C -0.529 175.811 176.300 0.067 0.000 0.979 413 R CA -0.828 55.352 56.100 0.132 0.000 0.928 413 R CB 2.350 32.736 30.300 0.144 0.000 1.191 413 R HN 0.291 nan 8.270 nan 0.000 0.471 414 E N 2.671 122.880 120.200 0.015 0.000 2.014 414 E HA 0.104 4.478 4.350 0.040 0.000 0.275 414 E C 0.719 177.333 176.600 0.023 0.000 0.997 414 E CA -0.315 56.079 56.400 -0.009 0.000 0.804 414 E CB 1.524 31.189 29.700 -0.058 0.000 1.090 414 E HN 0.591 nan 8.360 nan 0.000 0.401 415 V N 6.312 126.254 119.914 0.046 0.000 2.255 415 V HA -0.193 3.952 4.120 0.040 0.000 0.247 415 V C -0.842 175.273 176.094 0.034 0.000 1.051 415 V CA 1.673 64.002 62.300 0.049 0.000 1.018 415 V CB -1.246 30.613 31.823 0.060 0.000 0.641 415 V HN 0.517 nan 8.190 nan 0.000 0.445 416 P HA -0.081 nan 4.420 nan 0.000 0.221 416 P C 1.215 178.522 177.300 0.012 0.000 1.145 416 P CA 1.293 64.398 63.100 0.009 0.000 0.795 416 P CB -0.029 31.672 31.700 0.002 0.000 0.775 417 L N -2.074 119.156 121.223 0.013 0.000 2.857 417 L HA 0.241 4.605 4.340 0.040 0.000 0.249 417 L C 0.259 177.156 176.870 0.045 0.000 1.172 417 L CA -0.242 54.608 54.840 0.017 0.000 0.980 417 L CB -0.547 41.496 42.059 -0.028 0.000 1.299 417 L HN -0.078 nan 8.230 nan 0.000 0.535 418 N N 1.589 120.328 118.700 0.066 0.000 2.702 418 N HA -0.152 4.613 4.740 0.040 0.000 0.255 418 N C -0.213 175.317 175.510 0.034 0.000 0.983 418 N CA 1.069 54.164 53.050 0.075 0.000 0.768 418 N CB -0.633 37.945 38.487 0.152 0.000 0.918 418 N HN 0.259 nan 8.380 nan 0.000 0.540 419 T N 0.772 115.337 114.554 0.018 0.000 2.823 419 T HA 0.533 4.908 4.350 0.040 0.000 0.279 419 T C 0.880 175.594 174.700 0.023 0.000 0.998 419 T CA -0.463 61.639 62.100 0.002 0.000 0.994 419 T CB 1.632 70.481 68.868 -0.031 0.000 0.960 419 T HN 0.050 nan 8.240 nan 0.000 0.448 420 I N 4.221 124.815 120.570 0.040 0.000 2.301 420 I HA 0.254 4.449 4.170 0.040 0.000 0.292 420 I C 1.153 177.259 176.117 -0.018 0.000 1.046 420 I CA -0.247 61.104 61.300 0.085 0.000 1.282 420 I CB 0.779 38.870 38.000 0.151 0.000 1.409 420 I HN 0.690 nan 8.210 nan 0.000 0.484 421 I N 5.402 125.929 120.570 -0.071 0.000 2.400 421 I HA 0.022 4.217 4.170 0.040 0.000 0.248 421 I C 0.130 175.865 176.117 -0.637 0.000 1.109 421 I CA 1.121 62.221 61.300 -0.334 0.000 1.425 421 I CB 0.077 37.877 38.000 -0.333 0.000 1.094 421 I HN 0.324 nan 8.210 nan 0.000 0.425 422 F N 0.340 120.275 119.950 -0.024 0.000 2.643 422 F HA 0.598 5.179 4.527 0.090 0.000 0.314 422 F C -0.250 175.445 175.800 -0.175 0.000 1.096 422 F CA -1.016 56.873 58.000 -0.184 0.000 0.953 422 F CB 1.801 40.675 39.000 -0.209 0.000 1.345 422 F HN -0.228 nan 8.300 nan 0.000 0.468 423 M N 0.754 120.275 119.600 -0.132 0.000 2.465 423 M HA 0.933 5.437 4.480 0.040 0.000 0.284 423 M C -1.165 175.046 176.300 -0.149 0.000 1.212 423 M CA -0.369 54.743 55.300 -0.314 0.000 0.910 423 M CB 2.426 34.737 32.600 -0.482 0.000 1.725 423 M HN 0.743 nan 8.290 nan 0.000 0.477 424 G N 1.280 109.996 108.800 -0.139 0.000 2.650 424 G HA2 0.743 4.727 3.960 0.040 0.000 0.310 424 G HA3 0.743 4.727 3.960 0.040 0.000 0.310 424 G C -2.255 172.679 174.900 0.056 0.000 1.270 424 G CA -0.947 44.264 45.100 0.185 0.000 0.810 424 G HN 0.931 nan 8.290 nan 0.000 0.493 425 R N -0.724 119.827 120.500 0.086 0.000 2.566 425 R HA 0.525 4.890 4.340 0.040 0.000 0.271 425 R C -2.079 174.052 176.300 -0.281 0.000 1.071 425 R CA -0.480 55.586 56.100 -0.057 0.000 0.915 425 R CB 2.212 32.581 30.300 0.115 0.000 1.228 425 R HN 0.422 nan 8.270 nan 0.000 0.449 426 V N 4.284 123.816 119.914 -0.636 0.000 2.275 426 V HA 0.373 4.518 4.120 0.040 0.000 0.272 426 V C 0.657 176.445 176.094 -0.510 0.000 1.028 426 V CA 0.057 61.865 62.300 -0.820 0.000 0.810 426 V CB 0.946 31.859 31.823 -1.516 0.000 1.043 426 V HN 0.934 nan 8.190 nan 0.000 0.453 427 A N 4.266 126.934 122.820 -0.255 0.000 2.252 427 A HA 0.334 4.678 4.320 0.040 0.000 0.213 427 A C 0.776 178.345 177.584 -0.025 0.000 1.188 427 A CA 0.346 52.364 52.037 -0.032 0.000 0.863 427 A CB 0.023 19.019 19.000 -0.007 0.000 0.893 427 A HN 0.674 nan 8.150 nan 0.000 0.495 428 N N -0.773 117.739 118.700 -0.313 0.000 2.976 428 N HA 0.150 4.914 4.740 0.040 0.000 0.249 428 N C -2.996 172.233 175.510 -0.467 0.000 1.258 428 N CA -0.801 51.990 53.050 -0.431 0.000 0.864 428 N CB 1.525 39.915 38.487 -0.161 0.000 1.551 428 N HN -0.087 nan 8.380 nan 0.000 0.607 429 P HA 0.242 nan 4.420 nan 0.000 0.257 429 P C 0.097 177.275 177.300 -0.203 0.000 1.241 429 P CA 0.058 62.952 63.100 -0.343 0.000 0.816 429 P CB 0.178 31.690 31.700 -0.314 0.000 1.150 430 c N 0.355 118.815 118.600 -0.234 0.000 2.745 430 c HA 0.291 4.885 4.570 0.040 0.000 0.387 430 c C 1.271 175.319 174.090 -0.070 0.000 1.312 430 c CA -0.085 56.173 56.329 -0.118 0.000 2.204 430 c CB 0.228 42.680 42.510 -0.097 0.000 2.686 430 c HN 0.051 nan 8.230 nan 0.000 0.705 431 V N 0.000 119.889 119.914 -0.042 0.000 2.409 431 V HA 0.000 4.144 4.120 0.040 0.000 0.244 431 V CA 0.000 62.285 62.300 -0.026 0.000 1.235 431 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556