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 1t8w_1_F DATA FIRST_RESID 8 DATA SEQUENCE LTPAQALDKL DALYEQSVVA LRNAIGNYIT SGELPDENAR KQGLFVYPSL DATA SEQUENCE TVTWDGSTTN PPKTRAFGRF THAGSYTTTI TRPTLFRSYL NEQLTLLYQD DATA SEQUENCE YGAHISVQPS QHEIPYPYVI DGSELTLDRS XSAGLTRYFP TTELXXXXXX DATA SEQUENCE XXXXXXXXXX FSPLSHFDAR RVDFSLARLR HYTGTPVEHF QPFVLFTNYT DATA SEQUENCE RYVDEFVRWG CSQILDPDSP YIALSCAGGN WITAETEAPE EAISDLAWKK DATA SEQUENCE HQXPAWHLIT ADGQGITLVN IGVGPSNAKT ICDHLAVLRP DVWLXIGHCG DATA SEQUENCE GLRESQAIGD YVLAHAYLRD DHVLDAVLPP DIPIPSIAEV QRALYDATKL DATA SEQUENCE VSGRPGEEVK QRLRTGTVVT TDDRNWELRY SASALRFNLS RAVAIDXESA DATA SEQUENCE TIAAQGYRFR VPYGTLLCVS DKPLHGEIKL PGQANRFYEG AISEHLQIGI DATA SEQUENCE RAIDLLRAEG DRLHSRKLRT FNEPPFR 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.841 176.870 -0.049 0.000 1.165 8 L CA 0.000 54.856 54.840 0.027 0.000 0.813 8 L CB 0.000 42.037 42.059 -0.036 0.000 0.961 9 T N 0.764 115.231 114.554 -0.146 0.000 2.937 9 T HA 0.708 5.057 4.350 -0.000 0.000 0.283 9 T C -2.306 172.163 174.700 -0.384 0.000 1.012 9 T CA -1.615 60.213 62.100 -0.453 0.000 0.997 9 T CB 1.916 70.605 68.868 -0.299 0.000 1.136 9 T HN 0.451 nan 8.240 nan 0.000 0.551 10 P HA -0.095 nan 4.420 nan 0.000 0.208 10 P C 1.782 178.996 177.300 -0.144 0.000 1.189 10 P CA 2.164 65.107 63.100 -0.261 0.000 0.931 10 P CB -0.516 31.046 31.700 -0.230 0.000 0.783 11 A N -0.751 122.001 122.820 -0.113 0.000 1.971 11 A HA -0.353 3.966 4.320 -0.000 0.000 0.222 11 A C 2.244 179.801 177.584 -0.045 0.000 1.182 11 A CA 2.278 54.280 52.037 -0.059 0.000 0.649 11 A CB -1.553 17.424 19.000 -0.038 0.000 0.818 11 A HN 0.296 nan 8.150 nan 0.000 0.458 12 Q N -1.093 118.672 119.800 -0.059 0.000 2.016 12 Q HA -0.015 4.325 4.340 -0.000 0.000 0.200 12 Q C 2.543 178.528 176.000 -0.026 0.000 0.978 12 Q CA 1.249 57.032 55.803 -0.033 0.000 0.833 12 Q CB -0.392 28.326 28.738 -0.034 0.000 0.895 12 Q HN 0.687 nan 8.270 nan 0.000 0.427 13 A N 1.121 123.912 122.820 -0.048 0.000 1.917 13 A HA -0.203 4.116 4.320 -0.000 0.000 0.219 13 A C 2.103 179.686 177.584 -0.002 0.000 1.182 13 A CA 1.301 53.322 52.037 -0.026 0.000 0.633 13 A CB -0.860 18.114 19.000 -0.044 0.000 0.819 13 A HN 0.299 nan 8.150 nan 0.000 0.448 14 L N -0.539 120.677 121.223 -0.012 0.000 2.012 14 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 14 L C 2.160 179.045 176.870 0.026 0.000 1.073 14 L CA 1.672 56.516 54.840 0.007 0.000 0.748 14 L CB -0.738 41.317 42.059 -0.006 0.000 0.891 14 L HN 0.359 nan 8.230 nan 0.000 0.431 15 D N -0.111 120.301 120.400 0.020 0.000 2.144 15 D HA -0.191 4.449 4.640 -0.000 0.000 0.200 15 D C 2.109 178.437 176.300 0.046 0.000 0.978 15 D CA 1.123 55.143 54.000 0.033 0.000 0.833 15 D CB -0.004 40.810 40.800 0.023 0.000 0.961 15 D HN 0.268 nan 8.370 nan 0.000 0.470 16 K N 0.494 120.918 120.400 0.041 0.000 2.155 16 K HA -0.028 4.292 4.320 -0.000 0.000 0.203 16 K C 2.236 178.881 176.600 0.076 0.000 1.052 16 K CA 0.334 56.652 56.287 0.052 0.000 0.948 16 K CB 0.048 32.573 32.500 0.041 0.000 0.728 16 K HN 0.065 nan 8.250 nan 0.000 0.448 17 L N 0.822 122.090 121.223 0.076 0.000 2.027 17 L HA -0.192 4.148 4.340 -0.000 0.000 0.206 17 L C 2.130 179.086 176.870 0.144 0.000 1.074 17 L CA 1.166 56.068 54.840 0.103 0.000 0.745 17 L CB -0.442 41.662 42.059 0.075 0.000 0.898 17 L HN 0.236 nan 8.230 nan 0.000 0.433 18 D N 0.178 120.649 120.400 0.119 0.000 2.106 18 D HA -0.226 4.414 4.640 -0.000 0.000 0.191 18 D C 2.136 178.538 176.300 0.169 0.000 0.997 18 D CA 1.765 55.854 54.000 0.149 0.000 0.834 18 D CB 0.005 40.865 40.800 0.100 0.000 0.956 18 D HN 0.334 nan 8.370 nan 0.000 0.448 19 A N 1.075 123.965 122.820 0.117 0.000 1.851 19 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 19 A C 2.536 180.186 177.584 0.110 0.000 1.195 19 A CA 1.238 53.333 52.037 0.097 0.000 0.622 19 A CB -1.069 17.973 19.000 0.070 0.000 0.831 19 A HN 0.240 nan 8.150 nan 0.000 0.444 20 L N -2.148 119.149 121.223 0.124 0.000 2.043 20 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 20 L C 2.604 179.575 176.870 0.169 0.000 1.075 20 L CA 2.027 56.945 54.840 0.131 0.000 0.752 20 L CB -0.551 41.590 42.059 0.137 0.000 0.891 20 L HN 0.634 nan 8.230 nan 0.000 0.432 21 Y N 1.070 121.421 120.300 0.086 0.000 2.070 21 Y HA -0.272 4.278 4.550 -0.000 0.000 0.279 21 Y C 2.667 178.609 175.900 0.070 0.000 1.134 21 Y CA 1.740 59.896 58.100 0.093 0.000 1.113 21 Y CB -0.279 38.249 38.460 0.113 0.000 0.981 21 Y HN 0.156 nan 8.280 nan 0.000 0.487 22 E N 0.355 120.574 120.200 0.031 0.000 2.114 22 E HA -0.348 4.002 4.350 -0.000 0.000 0.199 22 E C 2.147 178.700 176.600 -0.078 0.000 1.008 22 E CA 1.763 58.124 56.400 -0.065 0.000 0.810 22 E CB -0.671 29.053 29.700 0.040 0.000 0.739 22 E HN 0.684 nan 8.360 nan 0.000 0.456 23 Q N 0.568 120.360 119.800 -0.013 0.000 2.030 23 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 23 Q C 2.327 178.326 176.000 -0.003 0.000 0.986 23 Q CA 2.021 57.827 55.803 0.006 0.000 0.843 23 Q CB 0.044 28.803 28.738 0.035 0.000 0.904 23 Q HN 0.135 nan 8.270 nan 0.000 0.420 24 S N -0.200 115.489 115.700 -0.018 0.000 2.368 24 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 24 S C 1.858 176.428 174.600 -0.051 0.000 1.030 24 S CA 1.131 59.340 58.200 0.015 0.000 0.999 24 S CB -0.372 62.834 63.200 0.010 0.000 0.844 24 S HN 0.444 nan 8.310 nan 0.000 0.459 25 V N 1.764 121.537 119.914 -0.235 0.000 2.307 25 V HA -0.108 4.011 4.120 -0.000 0.000 0.245 25 V C 2.028 178.046 176.094 -0.127 0.000 1.045 25 V CA 1.741 63.891 62.300 -0.251 0.000 1.024 25 V CB -0.507 31.062 31.823 -0.423 0.000 0.651 25 V HN 0.369 nan 8.190 nan 0.000 0.449 26 V N 0.860 120.720 119.914 -0.090 0.000 2.407 26 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 26 V C 2.923 179.025 176.094 0.013 0.000 1.055 26 V CA 2.098 64.377 62.300 -0.036 0.000 1.049 26 V CB -1.327 30.485 31.823 -0.018 0.000 0.662 26 V HN 0.682 nan 8.190 nan 0.000 0.455 27 A N -0.621 122.236 122.820 0.062 0.000 1.902 27 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 27 A C 2.280 180.008 177.584 0.240 0.000 1.181 27 A CA 1.795 53.940 52.037 0.180 0.000 0.623 27 A CB -0.479 18.668 19.000 0.244 0.000 0.818 27 A HN 0.464 nan 8.150 nan 0.000 0.443 28 L N -1.066 120.186 121.223 0.049 0.000 2.072 28 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 28 L C 2.821 179.552 176.870 -0.232 0.000 1.079 28 L CA 1.265 55.873 54.840 -0.385 0.000 0.752 28 L CB -0.347 41.408 42.059 -0.507 0.000 0.906 28 L HN 0.401 nan 8.230 nan 0.000 0.436 29 R N -0.321 120.100 120.500 -0.132 0.000 2.091 29 R HA -0.224 4.116 4.340 -0.000 0.000 0.238 29 R C 1.989 178.247 176.300 -0.069 0.000 1.136 29 R CA 1.907 57.941 56.100 -0.110 0.000 0.959 29 R CB -0.364 29.892 30.300 -0.073 0.000 0.856 29 R HN 0.399 nan 8.270 nan 0.000 0.437 30 N N 0.339 119.035 118.700 -0.008 0.000 2.043 30 N HA -0.168 4.572 4.740 -0.000 0.000 0.193 30 N C 1.665 177.217 175.510 0.071 0.000 1.037 30 N CA 1.807 54.878 53.050 0.035 0.000 0.851 30 N CB -0.201 38.328 38.487 0.070 0.000 1.027 30 N HN 0.236 nan 8.380 nan 0.000 0.422 31 A N 0.472 123.379 122.820 0.145 0.000 1.917 31 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 31 A C 2.260 179.963 177.584 0.199 0.000 1.182 31 A CA 1.281 53.490 52.037 0.286 0.000 0.633 31 A CB -0.857 18.474 19.000 0.551 0.000 0.819 31 A HN 0.396 nan 8.150 nan 0.000 0.448 32 I N -0.613 119.880 120.570 -0.129 0.000 2.252 32 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 32 I C 2.715 178.756 176.117 -0.126 0.000 1.102 32 I CA 1.050 62.100 61.300 -0.416 0.000 1.385 32 I CB -0.662 37.020 38.000 -0.531 0.000 1.064 32 I HN 0.411 nan 8.210 nan 0.000 0.414 33 G N 1.128 109.889 108.800 -0.065 0.000 2.421 33 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 33 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 33 G C 1.404 176.313 174.900 0.015 0.000 1.171 33 G CA 0.772 45.856 45.100 -0.027 0.000 0.775 33 G HN 0.310 nan 8.290 nan 0.000 0.543 34 N N -0.169 118.568 118.700 0.061 0.000 2.149 34 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 34 N C 1.834 177.399 175.510 0.092 0.000 1.019 34 N CA 1.206 54.301 53.050 0.076 0.000 0.857 34 N CB -0.549 38.003 38.487 0.109 0.000 0.997 34 N HN 0.496 nan 8.380 nan 0.000 0.426 35 Y N 1.499 121.840 120.300 0.068 0.000 2.242 35 Y HA 0.008 4.558 4.550 -0.000 0.000 0.291 35 Y C 2.151 178.064 175.900 0.021 0.000 1.137 35 Y CA 1.133 59.290 58.100 0.094 0.000 1.181 35 Y CB -0.226 38.371 38.460 0.228 0.000 0.989 35 Y HN -0.034 nan 8.280 nan 0.000 0.527 36 I N -0.452 120.101 120.570 -0.027 0.000 2.353 36 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 36 I C 2.395 178.438 176.117 -0.123 0.000 1.119 36 I CA 1.721 62.964 61.300 -0.096 0.000 1.417 36 I CB -0.649 37.327 38.000 -0.039 0.000 1.078 36 I HN 0.368 nan 8.210 nan 0.000 0.421 37 T N -1.894 112.610 114.554 -0.084 0.000 2.781 37 T HA -0.062 4.288 4.350 -0.000 0.000 0.252 37 T C 1.935 176.583 174.700 -0.086 0.000 1.039 37 T CA 1.205 63.263 62.100 -0.070 0.000 1.147 37 T CB -0.496 68.348 68.868 -0.040 0.000 0.865 37 T HN 0.374 nan 8.240 nan 0.000 0.423 38 S N 0.343 115.993 115.700 -0.084 0.000 2.468 38 S HA 0.513 4.983 4.470 -0.000 0.000 0.226 38 S C 1.929 176.450 174.600 -0.131 0.000 1.051 38 S CA 0.463 58.614 58.200 -0.082 0.000 0.943 38 S CB -0.172 63.002 63.200 -0.043 0.000 0.810 38 S HN 1.396 nan 8.310 nan 0.000 0.509 39 G N 1.176 109.858 108.800 -0.197 0.000 2.159 39 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.170 39 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.170 39 G C -0.269 174.574 174.900 -0.095 0.000 1.007 39 G CA -0.006 44.904 45.100 -0.316 0.000 0.672 39 G HN 0.653 nan 8.290 nan 0.000 0.507 40 E N 0.185 120.387 120.200 0.003 0.000 2.373 40 E HA 0.500 4.850 4.350 -0.000 0.000 0.267 40 E C -0.196 176.516 176.600 0.187 0.000 1.032 40 E CA -0.430 56.011 56.400 0.069 0.000 0.889 40 E CB 0.405 30.137 29.700 0.055 0.000 0.984 40 E HN 0.144 nan 8.360 nan 0.000 0.425 41 L N 5.133 126.400 121.223 0.074 0.000 2.330 41 L HA 0.466 4.805 4.340 -0.000 0.000 0.271 41 L C -2.131 174.731 176.870 -0.014 0.000 1.013 41 L CA -1.924 52.913 54.840 -0.006 0.000 0.816 41 L CB 1.074 43.001 42.059 -0.221 0.000 1.287 41 L HN 0.575 nan 8.230 nan 0.000 0.435 42 P HA 0.190 nan 4.420 nan 0.000 0.274 42 P C -1.435 175.822 177.300 -0.072 0.000 1.231 42 P CA -0.555 62.550 63.100 0.008 0.000 0.790 42 P CB 0.350 32.117 31.700 0.110 0.000 0.951 43 D N 2.219 122.575 120.400 -0.073 0.000 2.317 43 D HA -0.016 4.624 4.640 -0.000 0.000 0.252 43 D C 0.556 176.793 176.300 -0.105 0.000 1.174 43 D CA -0.282 53.670 54.000 -0.081 0.000 0.866 43 D CB 0.900 41.663 40.800 -0.062 0.000 1.127 43 D HN 0.204 nan 8.370 nan 0.000 0.467 44 E N 2.568 122.714 120.200 -0.090 0.000 2.284 44 E HA -0.260 4.089 4.350 -0.000 0.000 0.200 44 E C 1.290 177.838 176.600 -0.087 0.000 1.008 44 E CA 0.931 57.280 56.400 -0.085 0.000 0.829 44 E CB -0.207 29.459 29.700 -0.057 0.000 0.744 44 E HN 0.672 nan 8.360 nan 0.000 0.491 45 N N 0.549 119.201 118.700 -0.079 0.000 2.135 45 N HA -0.080 4.659 4.740 -0.000 0.000 0.186 45 N C 1.633 177.088 175.510 -0.091 0.000 1.027 45 N CA 1.640 54.648 53.050 -0.071 0.000 0.849 45 N CB -0.162 38.292 38.487 -0.054 0.000 1.002 45 N HN 0.108 nan 8.380 nan 0.000 0.425 46 A N 0.426 123.176 122.820 -0.117 0.000 2.015 46 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 46 A C 2.180 179.637 177.584 -0.212 0.000 1.163 46 A CA 0.913 52.864 52.037 -0.143 0.000 0.646 46 A CB -0.384 18.528 19.000 -0.147 0.000 0.806 46 A HN 0.328 nan 8.150 nan 0.000 0.448 47 R N -0.286 120.054 120.500 -0.267 0.000 2.075 47 R HA -0.037 4.303 4.340 -0.000 0.000 0.232 47 R C 1.393 177.595 176.300 -0.163 0.000 1.126 47 R CA 1.162 57.067 56.100 -0.324 0.000 0.963 47 R CB -0.149 29.965 30.300 -0.311 0.000 0.858 47 R HN 0.200 nan 8.270 nan 0.000 0.435 48 K N 0.541 120.875 120.400 -0.110 0.000 2.504 48 K HA -0.097 4.223 4.320 -0.000 0.000 0.195 48 K C 1.347 177.914 176.600 -0.056 0.000 1.036 48 K CA 0.846 57.094 56.287 -0.064 0.000 0.984 48 K CB 0.169 32.639 32.500 -0.049 0.000 0.788 48 K HN 0.074 nan 8.250 nan 0.000 0.488 49 Q N -0.246 119.510 119.800 -0.073 0.000 2.282 49 Q HA 0.165 4.505 4.340 -0.000 0.000 0.206 49 Q C 0.146 176.120 176.000 -0.043 0.000 0.878 49 Q CA 0.368 56.140 55.803 -0.052 0.000 0.944 49 Q CB 0.660 29.365 28.738 -0.054 0.000 1.100 49 Q HN 0.392 nan 8.270 nan 0.000 0.509 50 G N 0.323 109.090 108.800 -0.055 0.000 2.207 50 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 50 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 50 G C 0.369 175.244 174.900 -0.042 0.000 1.053 50 G CA 0.310 45.396 45.100 -0.023 0.000 0.764 50 G HN 0.377 nan 8.290 nan 0.000 0.495 51 L N -0.916 120.215 121.223 -0.154 0.000 2.005 51 L HA 0.243 4.583 4.340 -0.000 0.000 0.207 51 L C 1.890 178.756 176.870 -0.007 0.000 1.072 51 L CA 1.582 56.286 54.840 -0.227 0.000 0.744 51 L CB -0.061 41.617 42.059 -0.635 0.000 0.895 51 L HN 0.425 nan 8.230 nan 0.000 0.433 52 F N -0.582 119.376 119.950 0.013 0.000 2.925 52 F HA 0.232 4.759 4.527 -0.000 0.000 0.302 52 F C 0.046 175.832 175.800 -0.023 0.000 1.189 52 F CA -0.811 57.187 58.000 -0.003 0.000 1.346 52 F CB 0.502 39.523 39.000 0.035 0.000 0.954 52 F HN -0.196 nan 8.300 nan 0.000 0.506 53 V N 0.202 120.204 119.914 0.148 0.000 2.630 53 V HA 0.241 4.360 4.120 -0.000 0.000 0.305 53 V C -0.125 176.063 176.094 0.157 0.000 1.046 53 V CA -0.993 61.390 62.300 0.138 0.000 0.934 53 V CB 1.557 33.457 31.823 0.129 0.000 1.003 53 V HN 0.128 nan 8.190 nan 0.000 0.451 54 Y N 4.527 124.962 120.300 0.225 0.000 2.397 54 Y HA 0.252 4.801 4.550 -0.000 0.000 0.335 54 Y C -1.843 174.175 175.900 0.197 0.000 1.213 54 Y CA -1.524 56.728 58.100 0.254 0.000 1.391 54 Y CB 0.289 38.886 38.460 0.229 0.000 1.293 54 Y HN 0.466 nan 8.280 nan 0.000 0.557 55 P HA 0.042 nan 4.420 nan 0.000 0.272 55 P C -0.897 176.519 177.300 0.193 0.000 1.230 55 P CA -0.192 63.048 63.100 0.234 0.000 0.788 55 P CB 0.828 32.653 31.700 0.209 0.000 0.949 56 S N 1.081 116.863 115.700 0.136 0.000 2.482 56 S HA 0.635 5.104 4.470 -0.000 0.000 0.303 56 S C -1.308 173.338 174.600 0.076 0.000 1.091 56 S CA -0.580 57.682 58.200 0.105 0.000 1.057 56 S CB 0.001 63.258 63.200 0.095 0.000 1.031 56 S HN 0.280 nan 8.310 nan 0.000 0.485 57 L N 4.711 125.970 121.223 0.060 0.000 2.333 57 L HA 0.715 5.055 4.340 -0.000 0.000 0.280 57 L C -0.718 176.174 176.870 0.038 0.000 1.004 57 L CA 0.294 55.165 54.840 0.052 0.000 0.820 57 L CB 1.823 43.926 42.059 0.072 0.000 1.247 57 L HN 0.669 nan 8.230 nan 0.000 0.416 58 T N 4.180 118.759 114.554 0.042 0.000 2.848 58 T HA 0.689 5.039 4.350 -0.000 0.000 0.285 58 T C -1.080 173.664 174.700 0.073 0.000 0.995 58 T CA -0.469 61.667 62.100 0.061 0.000 0.970 58 T CB 1.770 70.681 68.868 0.071 0.000 0.976 58 T HN 0.302 nan 8.240 nan 0.000 0.441 59 V N 3.424 123.422 119.914 0.141 0.000 2.483 59 V HA 0.547 4.667 4.120 -0.000 0.000 0.297 59 V C -0.069 176.205 176.094 0.301 0.000 1.027 59 V CA -0.730 61.691 62.300 0.203 0.000 0.855 59 V CB 2.003 33.961 31.823 0.225 0.000 0.995 59 V HN 1.033 nan 8.190 nan 0.000 0.424 60 T N 3.581 118.304 114.554 0.281 0.000 2.888 60 T HA 0.558 4.908 4.350 -0.000 0.000 0.284 60 T C -1.283 173.556 174.700 0.231 0.000 1.017 60 T CA -0.407 61.855 62.100 0.271 0.000 1.022 60 T CB 1.713 70.737 68.868 0.259 0.000 1.013 60 T HN 0.672 nan 8.240 nan 0.000 0.465 61 W N 4.006 125.219 121.300 -0.145 0.000 2.830 61 W HA 0.341 5.001 4.660 -0.000 0.000 0.335 61 W C 0.480 176.913 176.519 -0.145 0.000 1.043 61 W CA -1.390 55.775 57.345 -0.301 0.000 1.239 61 W CB 1.216 30.083 29.460 -0.989 0.000 1.378 61 W HN 0.800 nan 8.180 nan 0.000 0.456 62 D N 2.530 122.641 120.400 -0.482 0.000 2.310 62 D HA -0.010 4.630 4.640 -0.000 0.000 0.212 62 D C 1.564 177.406 176.300 -0.764 0.000 0.965 62 D CA 1.285 54.996 54.000 -0.481 0.000 0.879 62 D CB -0.113 40.481 40.800 -0.343 0.000 0.921 62 D HN 0.884 nan 8.370 nan 0.000 0.510 63 G N -0.112 107.658 108.800 -1.717 0.000 2.175 63 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.244 63 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.244 63 G C 0.163 174.404 174.900 -1.098 0.000 0.982 63 G CA 0.215 44.196 45.100 -1.865 0.000 0.641 63 G HN 0.401 nan 8.290 nan 0.000 0.527 64 S N 1.368 116.598 115.700 -0.783 0.000 2.474 64 S HA 0.663 5.133 4.470 -0.000 0.000 0.320 64 S C -0.119 174.409 174.600 -0.120 0.000 1.067 64 S CA -0.001 58.010 58.200 -0.317 0.000 1.127 64 S CB 1.590 64.653 63.200 -0.228 0.000 0.971 64 S HN 0.442 nan 8.310 nan 0.000 0.472 65 T N 1.656 116.235 114.554 0.041 0.000 2.991 65 T HA 0.251 4.601 4.350 -0.000 0.000 0.303 65 T C 1.541 176.270 174.700 0.048 0.000 1.015 65 T CA -0.811 61.354 62.100 0.108 0.000 1.007 65 T CB 1.698 70.712 68.868 0.244 0.000 1.034 65 T HN 0.570 nan 8.240 nan 0.000 0.446 66 T N 0.765 115.324 114.554 0.008 0.000 2.570 66 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 66 T C 0.900 175.595 174.700 -0.007 0.000 1.071 66 T CA 1.390 63.487 62.100 -0.004 0.000 1.172 66 T CB -0.370 68.490 68.868 -0.014 0.000 0.864 66 T HN 0.704 nan 8.240 nan 0.000 0.421 67 N N 1.911 120.593 118.700 -0.031 0.000 2.918 67 N HA 0.353 5.093 4.740 -0.000 0.000 0.270 67 N C -3.507 171.947 175.510 -0.092 0.000 1.536 67 N CA -1.632 51.393 53.050 -0.042 0.000 0.877 67 N CB 0.850 39.313 38.487 -0.041 0.000 1.190 67 N HN 0.224 nan 8.380 nan 0.000 0.492 68 P HA 0.237 nan 4.420 nan 0.000 0.267 68 P C -2.470 174.740 177.300 -0.151 0.000 1.205 68 P CA -0.592 62.368 63.100 -0.233 0.000 0.765 68 P CB 0.070 31.729 31.700 -0.068 0.000 0.828 69 P HA 0.052 nan 4.420 nan 0.000 0.264 69 P C 0.357 177.643 177.300 -0.023 0.000 1.229 69 P CA 0.332 63.383 63.100 -0.082 0.000 0.780 69 P CB 0.325 31.982 31.700 -0.071 0.000 0.808 70 K N 1.439 121.823 120.400 -0.027 0.000 2.374 70 K HA 0.148 4.467 4.320 -0.000 0.000 0.202 70 K C 0.936 177.516 176.600 -0.034 0.000 1.040 70 K CA 0.400 56.679 56.287 -0.013 0.000 1.085 70 K CB 0.353 32.855 32.500 0.004 0.000 0.873 70 K HN 0.281 nan 8.250 nan 0.000 0.539 71 T N 0.093 114.616 114.554 -0.051 0.000 3.034 71 T HA 0.087 4.437 4.350 -0.000 0.000 0.248 71 T C 0.927 175.573 174.700 -0.089 0.000 1.040 71 T CA -0.137 61.928 62.100 -0.058 0.000 1.107 71 T CB 0.539 69.376 68.868 -0.051 0.000 0.932 71 T HN 0.115 nan 8.240 nan 0.000 0.474 72 R N 1.180 121.604 120.500 -0.127 0.000 2.640 72 R HA 0.287 4.627 4.340 -0.000 0.000 0.270 72 R C 1.385 177.552 176.300 -0.222 0.000 1.024 72 R CA 0.298 56.264 56.100 -0.224 0.000 1.085 72 R CB 0.298 30.423 30.300 -0.291 0.000 0.963 72 R HN 0.218 nan 8.270 nan 0.000 0.426 73 A N 5.359 128.018 122.820 -0.269 0.000 1.854 73 A HA -0.007 4.313 4.320 -0.000 0.000 0.214 73 A C 0.438 177.980 177.584 -0.069 0.000 1.192 73 A CA 1.008 52.978 52.037 -0.112 0.000 0.611 73 A CB -0.357 18.672 19.000 0.048 0.000 0.832 73 A HN 0.676 nan 8.150 nan 0.000 0.442 74 F N -3.896 116.017 119.950 -0.062 0.000 2.572 74 F HA 0.662 5.189 4.527 -0.000 0.000 0.342 74 F C 0.952 176.657 175.800 -0.158 0.000 1.064 74 F CA -1.335 56.606 58.000 -0.099 0.000 1.008 74 F CB 0.374 39.316 39.000 -0.096 0.000 1.303 74 F HN 0.557 nan 8.300 nan 0.000 0.492 75 G N 1.366 110.226 108.800 0.100 0.000 2.295 75 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.287 75 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.287 75 G C -0.298 174.349 174.900 -0.421 0.000 1.055 75 G CA -0.037 44.983 45.100 -0.133 0.000 0.922 75 G HN 0.799 nan 8.290 nan 0.000 0.503 76 R N -1.579 118.591 120.500 -0.550 0.000 2.888 76 R HA 0.737 5.077 4.340 -0.000 0.000 0.266 76 R C -1.127 174.566 176.300 -1.012 0.000 1.020 76 R CA -0.934 54.764 56.100 -0.670 0.000 0.963 76 R CB 1.220 31.369 30.300 -0.252 0.000 1.197 76 R HN 0.065 nan 8.270 nan 0.000 0.481 77 F N -0.241 119.194 119.950 -0.859 0.000 2.444 77 F HA 0.280 4.807 4.527 -0.000 0.000 0.342 77 F C 1.312 176.917 175.800 -0.326 0.000 1.121 77 F CA -0.421 57.116 58.000 -0.771 0.000 0.997 77 F CB 2.229 40.518 39.000 -1.186 0.000 1.130 77 F HN 0.476 nan 8.300 nan 0.000 0.454 78 T N 0.754 115.286 114.554 -0.037 0.000 2.942 78 T HA -0.031 4.319 4.350 -0.000 0.000 0.265 78 T C -0.179 174.677 174.700 0.260 0.000 1.062 78 T CA 1.313 63.463 62.100 0.084 0.000 1.139 78 T CB -0.353 68.576 68.868 0.101 0.000 0.883 78 T HN 0.724 nan 8.240 nan 0.000 0.468 79 H N -1.412 117.919 119.070 0.436 0.000 2.933 79 H HA 0.771 5.327 4.556 -0.000 0.000 0.310 79 H C -1.000 174.690 175.328 0.602 0.000 1.351 79 H CA -1.242 55.070 56.048 0.439 0.000 1.137 79 H CB 0.619 30.549 29.762 0.280 0.000 1.853 79 H HN -0.008 nan 8.280 nan 0.000 0.539 80 A N 0.058 123.252 122.820 0.625 0.000 2.304 80 A HA 0.816 5.136 4.320 -0.000 0.000 0.301 80 A C 0.686 178.512 177.584 0.403 0.000 1.132 80 A CA 0.255 52.536 52.037 0.407 0.000 0.819 80 A CB -0.150 18.834 19.000 -0.027 0.000 1.094 80 A HN 1.686 nan 8.150 nan 0.000 0.492 81 G N -0.484 108.489 108.800 0.288 0.000 2.350 81 G HA2 0.403 4.363 3.960 -0.000 0.000 0.282 81 G HA3 0.403 4.363 3.960 -0.000 0.000 0.282 81 G C -0.810 174.191 174.900 0.169 0.000 1.314 81 G CA -0.194 45.000 45.100 0.157 0.000 0.915 81 G HN 1.122 nan 8.290 nan 0.000 0.499 82 S N -0.189 115.542 115.700 0.051 0.000 2.437 82 S HA 0.712 5.182 4.470 -0.000 0.000 0.305 82 S C -1.409 173.197 174.600 0.009 0.000 1.109 82 S CA -0.270 58.007 58.200 0.129 0.000 1.099 82 S CB 0.884 64.155 63.200 0.118 0.000 1.004 82 S HN 0.454 nan 8.310 nan 0.000 0.475 83 Y N 1.249 121.631 120.300 0.137 0.000 2.335 83 Y HA 0.621 5.171 4.550 -0.000 0.000 0.338 83 Y C 0.768 176.662 175.900 -0.010 0.000 0.977 83 Y CA -0.563 57.575 58.100 0.063 0.000 1.114 83 Y CB 1.858 40.340 38.460 0.036 0.000 1.182 83 Y HN 0.525 nan 8.280 nan 0.000 0.463 84 T N 1.042 115.642 114.554 0.076 0.000 2.864 84 T HA 0.791 5.140 4.350 -0.000 0.000 0.289 84 T C -1.196 173.481 174.700 -0.038 0.000 1.082 84 T CA -0.412 61.700 62.100 0.020 0.000 1.009 84 T CB 1.859 70.754 68.868 0.045 0.000 1.234 84 T HN 0.681 nan 8.240 nan 0.000 0.526 85 T N 0.987 115.523 114.554 -0.029 0.000 3.033 85 T HA 0.460 4.809 4.350 -0.000 0.000 0.362 85 T C -0.964 173.732 174.700 -0.008 0.000 1.723 85 T CA -0.289 61.785 62.100 -0.043 0.000 1.110 85 T CB 0.746 69.552 68.868 -0.104 0.000 1.515 85 T HN 0.990 nan 8.240 nan 0.000 0.484 86 T N 3.001 117.546 114.554 -0.015 0.000 2.913 86 T HA 0.679 5.029 4.350 -0.000 0.000 0.297 86 T C 0.149 174.796 174.700 -0.089 0.000 1.029 86 T CA -0.784 61.311 62.100 -0.009 0.000 1.104 86 T CB 0.349 69.188 68.868 -0.049 0.000 0.964 86 T HN 0.460 nan 8.240 nan 0.000 0.532 87 I N 1.391 121.943 120.570 -0.030 0.000 2.693 87 I HA 0.630 4.800 4.170 -0.000 0.000 0.303 87 I C 0.468 176.549 176.117 -0.060 0.000 1.025 87 I CA -0.506 60.754 61.300 -0.067 0.000 1.086 87 I CB 1.946 39.946 38.000 0.000 0.000 1.268 87 I HN 0.891 nan 8.210 nan 0.000 0.440 88 T N 4.249 118.704 114.554 -0.166 0.000 2.894 88 T HA 0.392 4.742 4.350 -0.000 0.000 0.309 88 T C -0.614 173.906 174.700 -0.301 0.000 1.208 88 T CA -0.486 61.485 62.100 -0.214 0.000 1.016 88 T CB 0.898 69.780 68.868 0.023 0.000 1.192 88 T HN 0.622 nan 8.240 nan 0.000 0.491 89 R N 1.395 121.479 120.500 -0.692 0.000 3.158 89 R HA -0.132 4.208 4.340 -0.000 0.000 0.244 89 R C -2.346 173.929 176.300 -0.042 0.000 0.900 89 R CA 0.504 56.449 56.100 -0.258 0.000 0.618 89 R CB -2.197 28.128 30.300 0.042 0.000 1.061 89 R HN 0.585 nan 8.270 nan 0.000 0.471 90 P HA -0.142 nan 4.420 nan 0.000 0.216 90 P C 1.282 178.623 177.300 0.067 0.000 1.150 90 P CA 1.399 64.510 63.100 0.018 0.000 0.843 90 P CB 0.138 31.840 31.700 0.004 0.000 0.787 91 T N -0.254 114.323 114.554 0.038 0.000 2.821 91 T HA -0.131 4.218 4.350 -0.000 0.000 0.267 91 T C 1.638 176.325 174.700 -0.020 0.000 1.046 91 T CA 0.948 63.065 62.100 0.027 0.000 1.139 91 T CB -0.841 68.050 68.868 0.038 0.000 0.871 91 T HN 0.036 nan 8.240 nan 0.000 0.454 92 L N 0.152 121.327 121.223 -0.081 0.000 2.141 92 L HA 0.178 4.518 4.340 -0.000 0.000 0.209 92 L C 1.134 177.772 176.870 -0.388 0.000 1.094 92 L CA 1.664 56.341 54.840 -0.271 0.000 0.763 92 L CB -0.535 41.266 42.059 -0.430 0.000 0.908 92 L HN 0.170 nan 8.230 nan 0.000 0.437 93 F N -1.116 118.817 119.950 -0.029 0.000 2.664 93 F HA 0.245 4.772 4.527 -0.000 0.000 0.303 93 F C 2.082 177.902 175.800 0.034 0.000 1.092 93 F CA -0.052 57.956 58.000 0.013 0.000 1.305 93 F CB -0.309 38.710 39.000 0.031 0.000 1.054 93 F HN 0.020 nan 8.300 nan 0.000 0.565 94 R N 1.032 121.604 120.500 0.119 0.000 2.162 94 R HA -0.242 4.097 4.340 -0.000 0.000 0.245 94 R C 1.992 178.322 176.300 0.050 0.000 1.129 94 R CA 2.606 58.746 56.100 0.067 0.000 0.940 94 R CB -1.117 29.202 30.300 0.032 0.000 0.875 94 R HN 0.139 nan 8.270 nan 0.000 0.437 95 S N -0.636 115.095 115.700 0.051 0.000 2.353 95 S HA -0.200 4.270 4.470 -0.000 0.000 0.222 95 S C 1.678 176.292 174.600 0.023 0.000 1.035 95 S CA 1.416 59.636 58.200 0.032 0.000 1.025 95 S CB -0.813 62.411 63.200 0.041 0.000 0.902 95 S HN 0.535 nan 8.310 nan 0.000 0.440 96 Y N 2.296 122.571 120.300 -0.041 0.000 2.097 96 Y HA -0.139 4.411 4.550 -0.000 0.000 0.282 96 Y C 1.982 177.764 175.900 -0.197 0.000 1.152 96 Y CA 1.364 59.406 58.100 -0.097 0.000 1.136 96 Y CB -0.579 37.888 38.460 0.011 0.000 0.975 96 Y HN 0.135 nan 8.280 nan 0.000 0.498 97 L N 0.122 121.252 121.223 -0.155 0.000 2.046 97 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 97 L C 2.333 179.005 176.870 -0.330 0.000 1.077 97 L CA 1.776 56.423 54.840 -0.322 0.000 0.747 97 L CB -0.742 41.285 42.059 -0.053 0.000 0.896 97 L HN 0.330 nan 8.230 nan 0.000 0.432 98 N N 0.313 118.900 118.700 -0.188 0.000 2.028 98 N HA -0.271 4.469 4.740 -0.000 0.000 0.194 98 N C 1.849 177.241 175.510 -0.196 0.000 1.050 98 N CA 1.747 54.707 53.050 -0.150 0.000 0.848 98 N CB -0.168 38.271 38.487 -0.079 0.000 1.038 98 N HN 0.242 nan 8.380 nan 0.000 0.423 99 E N -0.500 119.579 120.200 -0.202 0.000 2.108 99 E HA -0.317 4.033 4.350 -0.000 0.000 0.203 99 E C 1.602 178.034 176.600 -0.280 0.000 1.022 99 E CA 1.441 57.722 56.400 -0.197 0.000 0.823 99 E CB -0.072 29.511 29.700 -0.194 0.000 0.744 99 E HN 0.490 nan 8.360 nan 0.000 0.456 100 Q N 0.150 119.628 119.800 -0.536 0.000 2.049 100 Q HA -0.064 4.276 4.340 -0.000 0.000 0.198 100 Q C 2.555 178.309 176.000 -0.410 0.000 0.971 100 Q CA 0.824 56.226 55.803 -0.668 0.000 0.833 100 Q CB -0.318 27.536 28.738 -1.473 0.000 0.896 100 Q HN 0.415 nan 8.270 nan 0.000 0.434 101 L N 0.376 121.388 121.223 -0.352 0.000 2.083 101 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 101 L C 2.406 179.274 176.870 -0.004 0.000 1.083 101 L CA 1.276 56.058 54.840 -0.098 0.000 0.752 101 L CB -0.627 41.378 42.059 -0.091 0.000 0.899 101 L HN 0.223 nan 8.230 nan 0.000 0.433 102 T N 0.373 114.904 114.554 -0.039 0.000 2.684 102 T HA -0.210 4.139 4.350 -0.000 0.000 0.267 102 T C 1.944 176.716 174.700 0.119 0.000 1.036 102 T CA 1.356 63.491 62.100 0.058 0.000 1.148 102 T CB -0.283 68.594 68.868 0.016 0.000 0.863 102 T HN 0.181 nan 8.240 nan 0.000 0.436 103 L N 0.482 121.735 121.223 0.049 0.000 1.971 103 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 103 L C 2.519 179.472 176.870 0.139 0.000 1.072 103 L CA 1.460 56.345 54.840 0.074 0.000 0.758 103 L CB -0.707 41.371 42.059 0.033 0.000 0.889 103 L HN 0.269 nan 8.230 nan 0.000 0.433 104 L N -1.814 119.468 121.223 0.099 0.000 2.265 104 L HA -0.244 4.096 4.340 -0.000 0.000 0.215 104 L C 2.507 179.576 176.870 0.331 0.000 1.117 104 L CA 0.886 55.821 54.840 0.160 0.000 0.782 104 L CB -0.617 41.487 42.059 0.076 0.000 0.914 104 L HN 0.261 nan 8.230 nan 0.000 0.441 105 Y N 0.774 121.162 120.300 0.145 0.000 2.243 105 Y HA -0.159 4.391 4.550 -0.000 0.000 0.293 105 Y C 2.497 178.488 175.900 0.151 0.000 1.124 105 Y CA 1.270 59.458 58.100 0.148 0.000 1.159 105 Y CB -0.030 38.487 38.460 0.094 0.000 1.008 105 Y HN 0.196 nan 8.280 nan 0.000 0.527 106 Q N -0.278 119.605 119.800 0.137 0.000 1.909 106 Q HA -0.102 4.238 4.340 -0.000 0.000 0.209 106 Q C 1.751 177.779 176.000 0.046 0.000 0.974 106 Q CA 0.920 56.734 55.803 0.019 0.000 0.851 106 Q CB -0.393 28.385 28.738 0.066 0.000 0.904 106 Q HN 0.300 nan 8.270 nan 0.000 0.445 107 D N -0.032 120.411 120.400 0.072 0.000 2.254 107 D HA -0.199 4.441 4.640 -0.000 0.000 0.201 107 D C 1.175 177.416 176.300 -0.099 0.000 0.998 107 D CA 1.661 55.658 54.000 -0.005 0.000 0.885 107 D CB -0.049 40.767 40.800 0.028 0.000 0.915 107 D HN 0.349 nan 8.370 nan 0.000 0.460 108 Y N -0.989 119.355 120.300 0.074 0.000 2.471 108 Y HA 0.322 4.872 4.550 -0.000 0.000 0.249 108 Y C 1.309 177.379 175.900 0.283 0.000 1.116 108 Y CA -0.011 58.190 58.100 0.168 0.000 1.240 108 Y CB 0.808 39.252 38.460 -0.028 0.000 1.251 108 Y HN -0.061 nan 8.280 nan 0.000 0.527 109 G N 1.897 110.847 108.800 0.251 0.000 2.354 109 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.278 109 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.278 109 G C 0.030 175.093 174.900 0.271 0.000 0.953 109 G CA 0.260 45.429 45.100 0.114 0.000 1.346 109 G HN 0.590 nan 8.290 nan 0.000 0.467 110 A N 1.148 124.167 122.820 0.333 0.000 2.281 110 A HA 0.770 5.089 4.320 -0.000 0.000 0.329 110 A C 0.026 177.852 177.584 0.404 0.000 1.122 110 A CA -0.501 51.772 52.037 0.393 0.000 0.850 110 A CB 0.975 20.223 19.000 0.412 0.000 1.207 110 A HN 1.280 nan 8.150 nan 0.000 0.495 111 H N 1.136 120.352 119.070 0.243 0.000 2.690 111 H HA 0.536 5.092 4.556 -0.000 0.000 0.289 111 H C -0.629 174.816 175.328 0.195 0.000 1.089 111 H CA -0.429 55.743 56.048 0.206 0.000 1.299 111 H CB -0.242 29.605 29.762 0.141 0.000 1.405 111 H HN 0.435 nan 8.280 nan 0.000 0.463 112 I N 4.250 124.744 120.570 -0.127 0.000 2.396 112 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 112 I C -0.149 175.764 176.117 -0.340 0.000 0.999 112 I CA -0.460 60.748 61.300 -0.153 0.000 1.310 112 I CB 1.272 39.242 38.000 -0.050 0.000 1.404 112 I HN 0.667 nan 8.210 nan 0.000 0.496 113 S N 4.762 120.343 115.700 -0.198 0.000 2.572 113 S HA 0.673 5.143 4.470 -0.000 0.000 0.274 113 S C -1.033 173.552 174.600 -0.026 0.000 1.150 113 S CA -0.790 57.331 58.200 -0.132 0.000 0.944 113 S CB 1.653 64.775 63.200 -0.129 0.000 1.071 113 S HN 0.255 nan 8.310 nan 0.000 0.479 114 V N 4.072 123.987 119.914 0.001 0.000 2.555 114 V HA 0.864 4.984 4.120 -0.000 0.000 0.302 114 V C -0.839 175.283 176.094 0.047 0.000 1.038 114 V CA -0.311 62.009 62.300 0.033 0.000 0.887 114 V CB 1.397 33.243 31.823 0.038 0.000 0.991 114 V HN 1.049 nan 8.190 nan 0.000 0.434 115 Q N 3.910 123.747 119.800 0.061 0.000 2.594 115 Q HA 0.434 4.774 4.340 -0.000 0.000 0.278 115 Q C -3.332 172.714 176.000 0.077 0.000 0.961 115 Q CA -2.140 53.700 55.803 0.063 0.000 0.844 115 Q CB 1.331 30.101 28.738 0.053 0.000 1.475 115 Q HN 0.368 nan 8.270 nan 0.000 0.389 116 P HA -0.016 nan 4.420 nan 0.000 0.261 116 P C -0.067 177.279 177.300 0.075 0.000 1.173 116 P CA 0.844 63.994 63.100 0.084 0.000 0.760 116 P CB 0.567 32.302 31.700 0.059 0.000 0.783 117 S N 2.984 118.746 115.700 0.104 0.000 2.666 117 S HA 0.230 4.700 4.470 -0.000 0.000 0.279 117 S C 0.659 175.258 174.600 -0.002 0.000 1.149 117 S CA -0.327 57.915 58.200 0.070 0.000 1.020 117 S CB 0.607 63.904 63.200 0.162 0.000 1.127 117 S HN 0.329 nan 8.310 nan 0.000 0.537 118 Q N 0.152 119.854 119.800 -0.163 0.000 2.219 118 Q HA 0.245 4.585 4.340 -0.000 0.000 0.209 118 Q C -0.684 175.169 176.000 -0.244 0.000 0.854 118 Q CA 0.124 55.795 55.803 -0.220 0.000 0.960 118 Q CB 0.034 28.596 28.738 -0.294 0.000 1.116 118 Q HN 0.633 nan 8.270 nan 0.000 0.500 119 H N 0.757 119.926 119.070 0.165 0.000 2.504 119 H HA 0.340 4.896 4.556 -0.000 0.000 0.322 119 H C -0.142 175.359 175.328 0.287 0.000 1.055 119 H CA -0.219 55.966 56.048 0.227 0.000 1.231 119 H CB 1.022 30.937 29.762 0.255 0.000 1.417 119 H HN 0.046 nan 8.280 nan 0.000 0.472 120 E N 2.961 123.367 120.200 0.342 0.000 2.331 120 E HA 0.224 4.573 4.350 -0.000 0.000 0.272 120 E C 0.266 176.975 176.600 0.182 0.000 1.036 120 E CA -0.556 55.993 56.400 0.249 0.000 0.864 120 E CB 1.690 31.548 29.700 0.263 0.000 1.035 120 E HN 0.452 nan 8.360 nan 0.000 0.408 121 I N 4.631 125.147 120.570 -0.089 0.000 2.436 121 I HA 0.075 4.245 4.170 -0.000 0.000 0.289 121 I C -2.102 174.036 176.117 0.035 0.000 1.083 121 I CA -1.912 59.237 61.300 -0.250 0.000 1.372 121 I CB 0.157 37.878 38.000 -0.466 0.000 1.408 121 I HN 0.135 nan 8.210 nan 0.000 0.516 122 P HA -0.103 nan 4.420 nan 0.000 0.264 122 P C 0.302 177.507 177.300 -0.158 0.000 1.193 122 P CA 0.102 63.193 63.100 -0.014 0.000 0.763 122 P CB 0.235 31.878 31.700 -0.095 0.000 0.810 123 Y N 5.542 125.753 120.300 -0.148 0.000 2.181 123 Y HA -0.167 4.383 4.550 -0.000 0.000 0.284 123 Y C -1.107 174.654 175.900 -0.231 0.000 1.179 123 Y CA 1.412 59.384 58.100 -0.214 0.000 1.179 123 Y CB -2.968 35.336 38.460 -0.261 0.000 0.973 123 Y HN 0.353 nan 8.280 nan 0.000 0.519 124 P HA -0.165 nan 4.420 nan 0.000 0.219 124 P C 0.753 177.850 177.300 -0.337 0.000 1.146 124 P CA 1.760 64.484 63.100 -0.626 0.000 0.808 124 P CB -0.294 30.883 31.700 -0.872 0.000 0.779 125 Y N -1.365 118.869 120.300 -0.110 0.000 2.546 125 Y HA 0.013 4.563 4.550 -0.000 0.000 0.287 125 Y C 1.926 177.811 175.900 -0.024 0.000 1.158 125 Y CA 0.035 58.114 58.100 -0.034 0.000 1.307 125 Y CB -1.095 37.390 38.460 0.042 0.000 1.036 125 Y HN -0.080 nan 8.280 nan 0.000 0.532 126 V N -3.368 116.576 119.914 0.050 0.000 3.643 126 V HA 0.258 4.378 4.120 -0.000 0.000 0.280 126 V C 0.566 176.649 176.094 -0.018 0.000 1.351 126 V CA -0.131 62.168 62.300 -0.003 0.000 1.073 126 V CB -0.223 31.556 31.823 -0.073 0.000 0.863 126 V HN 0.061 nan 8.190 nan 0.000 0.436 127 I N 2.240 122.802 120.570 -0.013 0.000 2.308 127 I HA 0.228 4.398 4.170 -0.000 0.000 0.293 127 I C 1.063 177.173 176.117 -0.011 0.000 1.078 127 I CA 0.085 61.374 61.300 -0.019 0.000 1.292 127 I CB 0.947 38.941 38.000 -0.009 0.000 1.423 127 I HN 0.119 nan 8.210 nan 0.000 0.493 128 D N 4.526 124.919 120.400 -0.013 0.000 2.075 128 D HA -0.051 4.588 4.640 -0.000 0.000 0.196 128 D C 1.742 178.034 176.300 -0.013 0.000 0.985 128 D CA 1.503 55.497 54.000 -0.009 0.000 0.834 128 D CB -0.071 40.722 40.800 -0.010 0.000 0.987 128 D HN 0.617 nan 8.370 nan 0.000 0.452 129 G N -0.394 108.397 108.800 -0.016 0.000 2.190 129 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.295 129 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.295 129 G C 0.115 175.007 174.900 -0.015 0.000 1.507 129 G CA 0.084 45.175 45.100 -0.015 0.000 1.034 129 G HN 0.258 nan 8.290 nan 0.000 0.483 130 S N 0.428 116.119 115.700 -0.014 0.000 2.585 130 S HA 0.402 4.872 4.470 -0.000 0.000 0.277 130 S C -0.276 174.312 174.600 -0.019 0.000 1.241 130 S CA -0.581 57.610 58.200 -0.015 0.000 1.041 130 S CB 1.442 64.635 63.200 -0.012 0.000 0.987 130 S HN 0.483 nan 8.310 nan 0.000 0.512 131 E N 1.473 121.657 120.200 -0.026 0.000 2.641 131 E HA -0.055 4.295 4.350 -0.000 0.000 0.272 131 E C -0.178 176.414 176.600 -0.013 0.000 0.990 131 E CA 0.395 56.779 56.400 -0.027 0.000 0.971 131 E CB 0.032 29.706 29.700 -0.042 0.000 0.967 131 E HN 0.393 nan 8.360 nan 0.000 0.464 132 L N 1.802 123.026 121.223 0.002 0.000 2.483 132 L HA 0.063 4.402 4.340 -0.000 0.000 0.276 132 L C 0.979 177.848 176.870 -0.001 0.000 1.213 132 L CA 0.426 55.265 54.840 -0.002 0.000 0.843 132 L CB 0.152 42.211 42.059 -0.001 0.000 1.107 132 L HN 0.702 nan 8.230 nan 0.000 0.487 133 T N -0.567 113.983 114.554 -0.006 0.000 3.296 133 T HA 0.328 4.678 4.350 -0.000 0.000 0.285 133 T C 0.237 174.936 174.700 -0.001 0.000 1.014 133 T CA -0.652 61.446 62.100 -0.003 0.000 0.920 133 T CB -0.102 68.763 68.868 -0.006 0.000 1.143 133 T HN 0.088 nan 8.240 nan 0.000 0.522 134 L N 3.331 124.554 121.223 -0.001 0.000 2.453 134 L HA 0.251 4.591 4.340 -0.000 0.000 0.274 134 L C 0.957 177.833 176.870 0.010 0.000 1.270 134 L CA 0.282 55.124 54.840 0.004 0.000 0.822 134 L CB -0.030 42.036 42.059 0.012 0.000 1.091 134 L HN 0.504 nan 8.230 nan 0.000 0.546 135 D N -1.118 119.290 120.400 0.014 0.000 2.478 135 D HA 0.215 4.855 4.640 -0.000 0.000 0.274 135 D C 1.036 177.350 176.300 0.023 0.000 1.234 135 D CA -0.500 53.508 54.000 0.015 0.000 1.069 135 D CB 0.460 41.267 40.800 0.012 0.000 1.113 135 D HN 0.184 nan 8.370 nan 0.000 0.571 136 R N 0.114 120.627 120.500 0.021 0.000 2.113 136 R HA -0.066 4.274 4.340 -0.000 0.000 0.231 136 R C 0.992 177.314 176.300 0.036 0.000 1.129 136 R CA 0.981 57.095 56.100 0.024 0.000 0.915 136 R CB -1.595 28.717 30.300 0.020 0.000 0.837 136 R HN 0.526 nan 8.270 nan 0.000 0.430 140 A N 1.673 124.505 122.820 0.021 0.000 1.927 140 A HA 0.035 4.355 4.320 -0.000 0.000 0.220 140 A C 2.104 179.651 177.584 -0.062 0.000 1.185 140 A CA 2.513 54.542 52.037 -0.013 0.000 0.639 140 A CB -1.449 17.552 19.000 0.001 0.000 0.820 140 A HN 0.681 nan 8.150 nan 0.000 0.451 141 G N -0.746 108.065 108.800 0.018 0.000 2.408 141 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.217 141 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.217 141 G C 1.569 176.352 174.900 -0.196 0.000 1.150 141 G CA 0.881 45.986 45.100 0.008 0.000 0.776 141 G HN 0.425 nan 8.290 nan 0.000 0.542 142 L N 0.959 122.075 121.223 -0.179 0.000 1.976 142 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 142 L C 3.390 180.202 176.870 -0.097 0.000 1.071 142 L CA 1.943 56.617 54.840 -0.277 0.000 0.746 142 L CB -0.800 40.949 42.059 -0.516 0.000 0.890 142 L HN 0.442 nan 8.230 nan 0.000 0.432 143 T N -2.858 111.685 114.554 -0.018 0.000 3.025 143 T HA -0.237 4.113 4.350 -0.000 0.000 0.270 143 T C 1.831 176.512 174.700 -0.031 0.000 1.126 143 T CA 1.073 63.228 62.100 0.092 0.000 1.105 143 T CB -0.255 68.661 68.868 0.081 0.000 0.884 143 T HN 0.295 nan 8.240 nan 0.000 0.522 144 R N -0.654 119.728 120.500 -0.197 0.000 2.090 144 R HA 0.099 4.439 4.340 -0.000 0.000 0.219 144 R C 1.187 177.219 176.300 -0.447 0.000 1.100 144 R CA 0.652 56.513 56.100 -0.399 0.000 0.991 144 R CB 0.066 29.947 30.300 -0.698 0.000 0.893 144 R HN 0.493 nan 8.270 nan 0.000 0.443 145 Y N -1.354 118.863 120.300 -0.137 0.000 2.458 145 Y HA 0.317 4.867 4.550 -0.000 0.000 0.256 145 Y C -0.265 175.329 175.900 -0.511 0.000 1.159 145 Y CA -0.402 57.507 58.100 -0.318 0.000 1.261 145 Y CB 0.419 38.600 38.460 -0.464 0.000 1.119 145 Y HN -0.121 nan 8.280 nan 0.000 0.524 146 F N 0.068 120.011 119.950 -0.011 0.000 2.594 146 F HA 0.536 5.063 4.527 -0.000 0.000 0.335 146 F C -2.243 173.621 175.800 0.108 0.000 1.058 146 F CA -3.173 54.835 58.000 0.014 0.000 0.981 146 F CB 0.765 39.659 39.000 -0.176 0.000 1.289 146 F HN -0.329 nan 8.300 nan 0.000 0.490 147 P HA 0.093 nan 4.420 nan 0.000 0.263 147 P C -0.669 176.759 177.300 0.214 0.000 1.247 147 P CA 0.053 63.301 63.100 0.247 0.000 0.876 147 P CB -0.148 31.683 31.700 0.218 0.000 0.928 148 T N -0.558 114.087 114.554 0.151 0.000 2.902 148 T HA 0.313 4.662 4.350 -0.000 0.000 0.280 148 T C 0.436 175.138 174.700 0.005 0.000 0.992 148 T CA -0.645 61.483 62.100 0.046 0.000 1.015 148 T CB 0.942 69.847 68.868 0.062 0.000 1.044 148 T HN 0.170 nan 8.240 nan 0.000 0.520 149 T N 1.542 116.055 114.554 -0.068 0.000 3.465 149 T HA 0.301 4.651 4.350 -0.000 0.000 0.323 149 T C -0.609 174.098 174.700 0.011 0.000 1.774 149 T CA -0.821 61.276 62.100 -0.005 0.000 1.348 149 T CB -1.053 67.790 68.868 -0.042 0.000 1.147 149 T HN 0.686 nan 8.240 nan 0.000 0.778 150 E N 4.194 124.406 120.200 0.021 0.000 2.197 150 E HA 0.522 4.872 4.350 -0.000 0.000 0.281 150 E C 0.718 177.321 176.600 0.005 0.000 0.995 150 E CA -1.057 55.350 56.400 0.012 0.000 0.808 150 E CB 0.739 30.448 29.700 0.015 0.000 1.093 150 E HN 0.318 nan 8.360 nan 0.000 0.394 169 S N 1.371 117.058 115.700 -0.022 0.000 2.536 169 S HA 0.550 5.020 4.470 -0.000 0.000 0.287 169 S C -2.766 171.807 174.600 -0.046 0.000 1.101 169 S CA -1.240 56.905 58.200 -0.092 0.000 0.950 169 S CB 2.332 65.387 63.200 -0.242 0.000 1.056 169 S HN -0.194 nan 8.310 nan 0.000 0.481 170 P HA 0.075 nan 4.420 nan 0.000 0.263 170 P C 0.360 177.637 177.300 -0.037 0.000 1.195 170 P CA -0.169 62.898 63.100 -0.056 0.000 0.762 170 P CB 0.414 32.058 31.700 -0.094 0.000 0.799 171 L N 3.829 124.959 121.223 -0.155 0.000 2.249 171 L HA 0.099 4.439 4.340 -0.000 0.000 0.207 171 L C 0.643 177.117 176.870 -0.660 0.000 1.090 171 L CA 1.508 56.106 54.840 -0.404 0.000 0.802 171 L CB -0.317 41.426 42.059 -0.527 0.000 0.947 171 L HN 0.404 nan 8.230 nan 0.000 0.453 172 S N -3.529 111.921 115.700 -0.418 0.000 2.704 172 S HA 0.351 4.821 4.470 -0.000 0.000 0.296 172 S C 0.808 175.206 174.600 -0.336 0.000 1.138 172 S CA -0.613 57.420 58.200 -0.278 0.000 0.875 172 S CB 0.438 63.650 63.200 0.021 0.000 1.151 172 S HN 0.232 nan 8.310 nan 0.000 0.500 173 H N -0.314 118.619 119.070 -0.228 0.000 2.395 173 H HA 0.214 4.770 4.556 -0.000 0.000 0.299 173 H C -0.428 174.439 175.328 -0.768 0.000 1.070 173 H CA 1.229 56.937 56.048 -0.566 0.000 1.356 173 H CB -0.043 29.210 29.762 -0.848 0.000 1.401 173 H HN 0.479 nan 8.280 nan 0.000 0.524 174 F N 1.336 121.305 119.950 0.031 0.000 2.563 174 F HA 0.207 4.734 4.527 -0.000 0.000 0.316 174 F C 0.299 176.024 175.800 -0.125 0.000 1.076 174 F CA -1.433 56.534 58.000 -0.056 0.000 0.921 174 F CB 1.463 40.411 39.000 -0.088 0.000 1.209 174 F HN -0.048 nan 8.300 nan 0.000 0.462 175 D N 1.389 121.809 120.400 0.033 0.000 2.332 175 D HA 0.377 5.017 4.640 -0.000 0.000 0.252 175 D C 0.980 177.155 176.300 -0.209 0.000 1.050 175 D CA -0.224 53.709 54.000 -0.111 0.000 0.970 175 D CB 1.766 42.476 40.800 -0.150 0.000 1.141 175 D HN 0.626 nan 8.370 nan 0.000 0.485 176 A N 2.284 124.883 122.820 -0.369 0.000 1.909 176 A HA -0.323 3.997 4.320 -0.000 0.000 0.221 176 A C 2.223 179.473 177.584 -0.557 0.000 1.223 176 A CA 1.992 53.646 52.037 -0.638 0.000 0.658 176 A CB -0.688 17.512 19.000 -1.333 0.000 0.831 176 A HN 0.730 nan 8.150 nan 0.000 0.462 177 R N -1.628 118.602 120.500 -0.451 0.000 2.081 177 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 177 R C 2.447 178.692 176.300 -0.091 0.000 1.131 177 R CA 1.492 57.511 56.100 -0.135 0.000 0.960 177 R CB -0.347 29.945 30.300 -0.013 0.000 0.856 177 R HN 0.519 nan 8.270 nan 0.000 0.436 178 R N 1.232 121.669 120.500 -0.104 0.000 2.081 178 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 178 R C 1.976 178.238 176.300 -0.063 0.000 1.131 178 R CA 1.487 57.558 56.100 -0.049 0.000 0.960 178 R CB -0.768 29.542 30.300 0.016 0.000 0.856 178 R HN 0.042 nan 8.270 nan 0.000 0.436 179 V N 1.092 120.923 119.914 -0.139 0.000 2.358 179 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 179 V C 1.798 177.791 176.094 -0.168 0.000 1.047 179 V CA 2.173 64.373 62.300 -0.168 0.000 1.035 179 V CB -0.579 31.135 31.823 -0.183 0.000 0.658 179 V HN 0.311 nan 8.190 nan 0.000 0.452 180 D N -0.453 119.790 120.400 -0.261 0.000 2.117 180 D HA -0.168 4.471 4.640 -0.000 0.000 0.197 180 D C 1.903 177.850 176.300 -0.588 0.000 0.987 180 D CA 1.229 54.919 54.000 -0.517 0.000 0.829 180 D CB -0.251 39.995 40.800 -0.923 0.000 0.961 180 D HN 0.439 nan 8.370 nan 0.000 0.460 181 F N 1.627 121.272 119.950 -0.508 0.000 2.095 181 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 181 F C 2.422 178.113 175.800 -0.181 0.000 1.104 181 F CA 1.506 59.410 58.000 -0.161 0.000 1.232 181 F CB -0.164 38.827 39.000 -0.016 0.000 0.987 181 F HN -0.165 nan 8.300 nan 0.000 0.475 182 S N 0.615 116.268 115.700 -0.079 0.000 2.406 182 S HA -0.042 4.428 4.470 -0.000 0.000 0.228 182 S C 2.082 176.490 174.600 -0.321 0.000 1.020 182 S CA 0.990 59.060 58.200 -0.216 0.000 0.965 182 S CB -0.398 62.823 63.200 0.036 0.000 0.798 182 S HN 0.356 nan 8.310 nan 0.000 0.488 183 L N 1.166 122.241 121.223 -0.246 0.000 2.083 183 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 183 L C 2.777 179.507 176.870 -0.234 0.000 1.083 183 L CA 1.213 55.916 54.840 -0.227 0.000 0.752 183 L CB -0.699 41.261 42.059 -0.165 0.000 0.899 183 L HN 0.325 nan 8.230 nan 0.000 0.433 184 A N 0.092 122.764 122.820 -0.248 0.000 1.877 184 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 184 A C 2.316 179.717 177.584 -0.305 0.000 1.186 184 A CA 1.678 53.589 52.037 -0.211 0.000 0.620 184 A CB -0.422 18.498 19.000 -0.132 0.000 0.822 184 A HN 0.226 nan 8.150 nan 0.000 0.443 185 R N -0.406 119.788 120.500 -0.509 0.000 2.073 185 R HA 0.006 4.346 4.340 -0.000 0.000 0.234 185 R C 2.112 178.255 176.300 -0.263 0.000 1.134 185 R CA 1.224 56.971 56.100 -0.587 0.000 0.952 185 R CB -0.857 28.796 30.300 -1.080 0.000 0.850 185 R HN 0.561 nan 8.270 nan 0.000 0.433 186 L N 0.180 121.272 121.223 -0.217 0.000 1.997 186 L HA -0.304 4.035 4.340 -0.000 0.000 0.216 186 L C 2.631 179.508 176.870 0.012 0.000 1.074 186 L CA 1.884 56.689 54.840 -0.059 0.000 0.763 186 L CB -0.328 41.575 42.059 -0.260 0.000 0.890 186 L HN 0.245 nan 8.230 nan 0.000 0.434 187 R N -1.063 119.402 120.500 -0.057 0.000 2.070 187 R HA -0.271 4.069 4.340 -0.000 0.000 0.233 187 R C 2.418 178.718 176.300 -0.001 0.000 1.137 187 R CA 2.057 58.149 56.100 -0.014 0.000 0.945 187 R CB -0.418 29.854 30.300 -0.047 0.000 0.845 187 R HN 0.415 nan 8.270 nan 0.000 0.430 188 H N -0.747 118.233 119.070 -0.150 0.000 2.290 188 H HA -0.193 4.363 4.556 -0.000 0.000 0.298 188 H C 1.542 176.837 175.328 -0.055 0.000 1.087 188 H CA 2.483 58.431 56.048 -0.166 0.000 1.291 188 H CB -0.337 29.193 29.762 -0.386 0.000 1.369 188 H HN 0.298 nan 8.280 nan 0.000 0.492 189 Y N -0.620 119.675 120.300 -0.009 0.000 2.263 189 Y HA -0.077 4.473 4.550 -0.000 0.000 0.292 189 Y C 2.878 178.749 175.900 -0.048 0.000 1.130 189 Y CA 1.583 59.660 58.100 -0.040 0.000 1.179 189 Y CB -0.557 37.930 38.460 0.045 0.000 0.998 189 Y HN 0.264 nan 8.280 nan 0.000 0.532 190 T N -1.816 112.794 114.554 0.094 0.000 3.035 190 T HA 0.157 4.507 4.350 -0.000 0.000 0.259 190 T C 1.517 175.927 174.700 -0.483 0.000 1.078 190 T CA 0.981 63.040 62.100 -0.069 0.000 1.132 190 T CB -0.547 68.433 68.868 0.185 0.000 0.900 190 T HN 0.523 nan 8.240 nan 0.000 0.480 191 G N 1.848 110.273 108.800 -0.624 0.000 2.198 191 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.257 191 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.257 191 G C 0.168 174.773 174.900 -0.491 0.000 1.042 191 G CA 0.454 44.870 45.100 -1.141 0.000 0.791 191 G HN 0.553 nan 8.290 nan 0.000 0.502 192 T N 0.098 114.534 114.554 -0.197 0.000 2.900 192 T HA 0.598 4.948 4.350 -0.000 0.000 0.303 192 T C -2.992 171.736 174.700 0.047 0.000 1.142 192 T CA -0.963 61.122 62.100 -0.025 0.000 1.007 192 T CB 3.072 71.988 68.868 0.081 0.000 1.156 192 T HN -0.011 nan 8.240 nan 0.000 0.490 193 P HA 0.171 nan 4.420 nan 0.000 0.280 193 P C 1.262 178.508 177.300 -0.090 0.000 1.244 193 P CA -0.576 62.414 63.100 -0.182 0.000 0.784 193 P CB 0.578 31.985 31.700 -0.488 0.000 0.913 194 V N 0.997 120.872 119.914 -0.065 0.000 2.867 194 V HA -0.233 3.887 4.120 -0.000 0.000 0.260 194 V C 1.303 177.360 176.094 -0.062 0.000 1.099 194 V CA 1.649 63.912 62.300 -0.063 0.000 1.122 194 V CB -1.377 30.283 31.823 -0.271 0.000 0.708 194 V HN 0.323 nan 8.190 nan 0.000 0.490 195 E N 0.394 120.491 120.200 -0.171 0.000 2.204 195 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 195 E C 1.949 178.566 176.600 0.029 0.000 0.989 195 E CA 1.689 58.014 56.400 -0.125 0.000 0.824 195 E CB -0.606 29.006 29.700 -0.145 0.000 0.756 195 E HN 0.884 nan 8.360 nan 0.000 0.477 196 H N -1.294 117.751 119.070 -0.043 0.000 2.535 196 H HA 0.103 4.659 4.556 -0.000 0.000 0.273 196 H C -0.087 174.998 175.328 -0.406 0.000 0.983 196 H CA -0.726 55.231 56.048 -0.152 0.000 1.238 196 H CB 0.047 29.717 29.762 -0.154 0.000 1.412 196 H HN 0.061 nan 8.280 nan 0.000 0.562 197 F N 2.730 122.408 119.950 -0.454 0.000 2.608 197 F HA -0.081 4.446 4.527 -0.000 0.000 0.380 197 F C 0.751 176.552 175.800 0.001 0.000 1.083 197 F CA 0.140 57.974 58.000 -0.276 0.000 1.266 197 F CB 0.508 39.428 39.000 -0.133 0.000 1.076 197 F HN 0.156 nan 8.300 nan 0.000 0.574 198 Q N 5.414 125.369 119.800 0.257 0.000 2.226 198 Q HA 0.236 4.576 4.340 -0.000 0.000 0.256 198 Q C -1.636 174.481 176.000 0.195 0.000 0.962 198 Q CA -2.020 53.931 55.803 0.245 0.000 0.887 198 Q CB 0.935 29.858 28.738 0.309 0.000 1.282 198 Q HN 0.292 nan 8.270 nan 0.000 0.449 199 P HA -0.106 nan 4.420 nan 0.000 0.218 199 P C -0.520 176.477 177.300 -0.505 0.000 1.146 199 P CA 1.295 64.255 63.100 -0.233 0.000 0.813 199 P CB 0.173 31.649 31.700 -0.374 0.000 0.778 200 F N -1.049 118.969 119.950 0.113 0.000 2.375 200 F HA 0.283 4.810 4.527 -0.000 0.000 0.361 200 F C 0.208 176.035 175.800 0.044 0.000 1.117 200 F CA -1.176 56.871 58.000 0.079 0.000 1.037 200 F CB 0.780 39.832 39.000 0.088 0.000 1.192 200 F HN -0.419 nan 8.300 nan 0.000 0.452 201 V N 4.482 124.450 119.914 0.090 0.000 2.612 201 V HA 0.502 4.622 4.120 -0.000 0.000 0.301 201 V C -0.555 175.395 176.094 -0.240 0.000 1.046 201 V CA -0.777 61.472 62.300 -0.084 0.000 0.946 201 V CB 2.021 33.745 31.823 -0.166 0.000 1.003 201 V HN 0.427 nan 8.190 nan 0.000 0.459 202 L N 3.927 124.931 121.223 -0.365 0.000 2.381 202 L HA 0.631 4.971 4.340 -0.000 0.000 0.274 202 L C -0.972 175.657 176.870 -0.402 0.000 0.988 202 L CA -0.064 54.564 54.840 -0.353 0.000 0.824 202 L CB 1.508 43.382 42.059 -0.307 0.000 1.263 202 L HN 0.417 nan 8.230 nan 0.000 0.410 203 F N 1.470 121.353 119.950 -0.113 0.000 2.436 203 F HA 0.749 5.275 4.527 -0.000 0.000 0.340 203 F C 0.650 176.334 175.800 -0.195 0.000 1.113 203 F CA -0.746 57.168 58.000 -0.143 0.000 1.022 203 F CB 2.024 40.923 39.000 -0.168 0.000 1.128 203 F HN 0.459 nan 8.300 nan 0.000 0.466 204 T N -1.147 113.427 114.554 0.033 0.000 2.906 204 T HA 0.443 4.793 4.350 -0.000 0.000 0.295 204 T C -0.179 174.528 174.700 0.011 0.000 1.061 204 T CA -0.920 61.104 62.100 -0.128 0.000 1.000 204 T CB 1.774 70.520 68.868 -0.204 0.000 1.103 204 T HN 0.488 nan 8.240 nan 0.000 0.486 205 N N -0.162 118.543 118.700 0.008 0.000 2.235 205 N HA 0.196 4.935 4.740 -0.000 0.000 0.231 205 N C -1.031 174.707 175.510 0.381 0.000 1.177 205 N CA -0.552 52.563 53.050 0.108 0.000 0.874 205 N CB 0.165 38.601 38.487 -0.085 0.000 1.097 205 N HN 0.604 nan 8.380 nan 0.000 0.518 206 Y N -0.266 120.221 120.300 0.311 0.000 2.396 206 Y HA 0.394 4.944 4.550 -0.000 0.000 0.332 206 Y C 1.244 177.357 175.900 0.354 0.000 1.034 206 Y CA -1.455 56.910 58.100 0.441 0.000 1.057 206 Y CB 1.618 40.523 38.460 0.742 0.000 1.220 206 Y HN -0.053 nan 8.280 nan 0.000 0.440 207 T N 4.179 118.797 114.554 0.107 0.000 2.685 207 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 207 T C 1.884 176.356 174.700 -0.381 0.000 1.034 207 T CA 2.181 64.152 62.100 -0.216 0.000 1.149 207 T CB 0.028 68.625 68.868 -0.452 0.000 0.860 207 T HN 0.654 nan 8.240 nan 0.000 0.449 208 R N -0.601 119.390 120.500 -0.849 0.000 2.241 208 R HA -0.076 4.264 4.340 -0.000 0.000 0.224 208 R C 2.027 178.081 176.300 -0.409 0.000 1.101 208 R CA 1.025 56.711 56.100 -0.690 0.000 0.995 208 R CB -0.344 29.385 30.300 -0.951 0.000 0.870 208 R HN 0.559 nan 8.270 nan 0.000 0.463 209 Y N -0.348 119.814 120.300 -0.229 0.000 2.263 209 Y HA -0.188 4.361 4.550 -0.000 0.000 0.292 209 Y C 2.456 178.312 175.900 -0.074 0.000 1.130 209 Y CA 1.232 59.279 58.100 -0.089 0.000 1.179 209 Y CB -0.288 38.165 38.460 -0.011 0.000 0.998 209 Y HN -0.094 nan 8.280 nan 0.000 0.532 210 V N -1.117 118.827 119.914 0.051 0.000 2.453 210 V HA -0.179 3.940 4.120 -0.000 0.000 0.247 210 V C 1.713 177.706 176.094 -0.168 0.000 1.048 210 V CA 2.181 64.413 62.300 -0.112 0.000 1.049 210 V CB -0.379 31.227 31.823 -0.360 0.000 0.672 210 V HN 0.204 nan 8.190 nan 0.000 0.457 211 D N 0.445 120.754 120.400 -0.151 0.000 2.087 211 D HA -0.209 4.431 4.640 -0.000 0.000 0.192 211 D C 2.165 178.401 176.300 -0.106 0.000 0.993 211 D CA 2.105 56.016 54.000 -0.149 0.000 0.828 211 D CB -0.318 40.380 40.800 -0.170 0.000 0.968 211 D HN 0.568 nan 8.370 nan 0.000 0.448 212 E N -0.218 119.928 120.200 -0.090 0.000 2.118 212 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 212 E C 1.815 178.448 176.600 0.055 0.000 0.992 212 E CA 0.461 56.835 56.400 -0.043 0.000 0.804 212 E CB -0.404 29.246 29.700 -0.083 0.000 0.741 212 E HN 0.252 nan 8.360 nan 0.000 0.458 213 F N -0.276 119.627 119.950 -0.079 0.000 2.084 213 F HA -0.139 4.387 4.527 -0.000 0.000 0.296 213 F C 2.075 177.878 175.800 0.005 0.000 1.111 213 F CA 1.070 59.059 58.000 -0.019 0.000 1.224 213 F CB -0.570 38.387 39.000 -0.071 0.000 0.991 213 F HN -0.118 nan 8.300 nan 0.000 0.471 214 V N 1.503 121.314 119.914 -0.172 0.000 2.332 214 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 214 V C 2.640 178.593 176.094 -0.236 0.000 1.055 214 V CA 2.319 64.443 62.300 -0.294 0.000 1.038 214 V CB -0.838 30.812 31.823 -0.289 0.000 0.651 214 V HN 0.350 nan 8.190 nan 0.000 0.450 215 R N -1.008 119.409 120.500 -0.140 0.000 2.096 215 R HA -0.284 4.055 4.340 -0.000 0.000 0.229 215 R C 2.219 178.457 176.300 -0.104 0.000 1.134 215 R CA 2.661 58.701 56.100 -0.100 0.000 0.917 215 R CB -0.713 29.556 30.300 -0.051 0.000 0.832 215 R HN 0.590 nan 8.270 nan 0.000 0.430 216 W N 1.181 122.340 121.300 -0.235 0.000 2.313 216 W HA -0.156 4.504 4.660 -0.000 0.000 0.293 216 W C 1.732 178.052 176.519 -0.332 0.000 1.216 216 W CA 2.120 59.322 57.345 -0.238 0.000 1.223 216 W CB -0.652 28.683 29.460 -0.209 0.000 1.138 216 W HN 0.344 nan 8.180 nan 0.000 0.535 217 G N -0.332 108.169 108.800 -0.498 0.000 2.434 217 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.214 217 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.214 217 G C 1.421 175.983 174.900 -0.562 0.000 1.202 217 G CA 1.418 46.059 45.100 -0.765 0.000 0.788 217 G HN 0.358 nan 8.290 nan 0.000 0.539 218 C N 0.618 119.692 119.300 -0.377 0.000 2.401 218 C HA -0.098 4.362 4.460 -0.000 0.000 0.276 218 C C 3.437 178.264 174.990 -0.272 0.000 1.233 218 C CA 1.594 60.449 59.018 -0.272 0.000 1.753 218 C CB -0.873 26.753 27.740 -0.191 0.000 2.029 218 C HN 0.542 nan 8.230 nan 0.000 0.478 219 S N -0.163 115.354 115.700 -0.304 0.000 2.353 219 S HA -0.233 4.237 4.470 -0.000 0.000 0.222 219 S C 1.955 176.356 174.600 -0.332 0.000 1.035 219 S CA 1.749 59.782 58.200 -0.278 0.000 1.025 219 S CB -0.362 62.678 63.200 -0.265 0.000 0.902 219 S HN 0.621 nan 8.310 nan 0.000 0.440 220 Q N 0.899 120.380 119.800 -0.531 0.000 2.096 220 Q HA -0.053 4.287 4.340 -0.000 0.000 0.204 220 Q C 2.302 178.154 176.000 -0.247 0.000 0.982 220 Q CA 1.609 57.139 55.803 -0.455 0.000 0.850 220 Q CB -0.759 27.560 28.738 -0.698 0.000 0.901 220 Q HN 0.682 nan 8.270 nan 0.000 0.422 221 I N 0.117 120.536 120.570 -0.251 0.000 2.163 221 I HA -0.306 3.863 4.170 -0.000 0.000 0.243 221 I C 1.950 177.990 176.117 -0.128 0.000 1.085 221 I CA 0.785 61.986 61.300 -0.166 0.000 1.347 221 I CB -0.289 37.601 38.000 -0.184 0.000 1.044 221 I HN 0.166 nan 8.210 nan 0.000 0.408 222 L N 0.338 121.479 121.223 -0.136 0.000 1.994 222 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 222 L C 1.185 178.002 176.870 -0.089 0.000 1.071 222 L CA 1.436 56.216 54.840 -0.101 0.000 0.745 222 L CB -1.147 40.852 42.059 -0.100 0.000 0.892 222 L HN 0.241 nan 8.230 nan 0.000 0.431 223 D N 0.435 120.773 120.400 -0.104 0.000 2.451 223 D HA -0.044 4.596 4.640 -0.000 0.000 0.254 223 D C -1.816 174.439 176.300 -0.075 0.000 1.204 223 D CA -1.347 52.602 54.000 -0.084 0.000 0.896 223 D CB 1.117 41.861 40.800 -0.093 0.000 1.136 223 D HN 0.047 nan 8.370 nan 0.000 0.499 224 P HA -0.003 nan 4.420 nan 0.000 0.239 224 P C 0.243 177.511 177.300 -0.053 0.000 1.184 224 P CA 0.517 63.586 63.100 -0.051 0.000 0.760 224 P CB 0.376 32.052 31.700 -0.039 0.000 0.884 225 D N -1.821 118.545 120.400 -0.057 0.000 2.355 225 D HA 0.018 4.658 4.640 -0.000 0.000 0.206 225 D C 0.712 176.964 176.300 -0.080 0.000 1.010 225 D CA 0.544 54.510 54.000 -0.057 0.000 0.875 225 D CB -0.018 40.756 40.800 -0.044 0.000 0.966 225 D HN 0.070 nan 8.370 nan 0.000 0.512 226 S N 1.294 116.939 115.700 -0.092 0.000 2.549 226 S HA 0.114 4.584 4.470 -0.000 0.000 0.279 226 S C -1.667 172.819 174.600 -0.190 0.000 1.321 226 S CA -1.173 56.949 58.200 -0.131 0.000 1.054 226 S CB 1.597 64.741 63.200 -0.093 0.000 0.899 226 S HN -0.192 nan 8.310 nan 0.000 0.497 227 P HA 0.024 nan 4.420 nan 0.000 0.223 227 P C -0.686 176.428 177.300 -0.311 0.000 1.151 227 P CA 0.632 63.529 63.100 -0.339 0.000 0.787 227 P CB -0.030 31.410 31.700 -0.434 0.000 0.788 228 Y N 0.768 121.008 120.300 -0.099 0.000 2.650 228 Y HA 0.032 4.582 4.550 -0.000 0.000 0.342 228 Y C 1.819 177.632 175.900 -0.146 0.000 1.110 228 Y CA -0.153 57.867 58.100 -0.133 0.000 1.438 228 Y CB -0.753 37.572 38.460 -0.225 0.000 1.181 228 Y HN 0.037 nan 8.280 nan 0.000 0.526 229 I N -0.449 120.130 120.570 0.014 0.000 4.070 229 I HA 0.655 4.825 4.170 -0.000 0.000 0.328 229 I C 0.582 176.643 176.117 -0.093 0.000 1.298 229 I CA -0.033 61.249 61.300 -0.030 0.000 1.173 229 I CB 0.465 38.467 38.000 0.003 0.000 1.051 229 I HN 0.421 nan 8.210 nan 0.000 0.409 230 A N 1.379 124.095 122.820 -0.174 0.000 2.609 230 A HA 0.775 5.095 4.320 -0.000 0.000 0.291 230 A C -1.878 175.402 177.584 -0.506 0.000 1.096 230 A CA -0.486 51.272 52.037 -0.464 0.000 0.684 230 A CB 1.912 20.491 19.000 -0.702 0.000 1.282 230 A HN 0.233 nan 8.150 nan 0.000 0.412 231 L N 1.032 121.840 121.223 -0.691 0.000 2.485 231 L HA 0.595 4.935 4.340 -0.000 0.000 0.260 231 L C -0.138 176.469 176.870 -0.438 0.000 0.998 231 L CA 0.125 54.710 54.840 -0.427 0.000 0.883 231 L CB 1.484 43.379 42.059 -0.274 0.000 1.196 231 L HN 0.690 nan 8.230 nan 0.000 0.443 232 S N 3.716 119.215 115.700 -0.335 0.000 2.528 232 S HA 0.509 4.978 4.470 -0.000 0.000 0.277 232 S C -0.239 174.356 174.600 -0.009 0.000 1.297 232 S CA -0.305 57.837 58.200 -0.096 0.000 1.052 232 S CB -0.065 63.217 63.200 0.137 0.000 0.917 232 S HN 0.770 nan 8.310 nan 0.000 0.492 233 C N 3.960 123.247 119.300 -0.021 0.000 2.493 233 C HA 0.795 5.255 4.460 -0.000 0.000 0.326 233 C C 0.804 175.538 174.990 -0.427 0.000 1.200 233 C CA -1.200 57.702 59.018 -0.193 0.000 1.739 233 C CB 0.504 28.322 27.740 0.131 0.000 2.300 233 C HN 1.011 nan 8.230 nan 0.000 0.500 234 A N 1.704 123.920 122.820 -1.006 0.000 2.522 234 A HA 0.482 4.801 4.320 -0.000 0.000 0.256 234 A C 1.317 178.649 177.584 -0.422 0.000 1.086 234 A CA 0.988 52.496 52.037 -0.882 0.000 0.763 234 A CB -0.744 17.455 19.000 -1.335 0.000 1.024 234 A HN 2.209 nan 8.150 nan 0.000 0.502 235 G N 1.003 109.632 108.800 -0.285 0.000 2.352 235 G HA2 0.231 4.191 3.960 -0.000 0.000 0.204 235 G HA3 0.231 4.191 3.960 -0.000 0.000 0.204 235 G C 1.359 176.266 174.900 0.011 0.000 1.004 235 G CA 0.899 45.992 45.100 -0.011 0.000 0.648 235 G HN 2.612 nan 8.290 nan 0.000 0.491 236 G N -0.083 108.713 108.800 -0.007 0.000 3.033 236 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.196 236 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.196 236 G C 0.085 175.058 174.900 0.122 0.000 1.078 236 G CA 0.496 45.634 45.100 0.063 0.000 0.805 236 G HN 1.147 nan 8.290 nan 0.000 0.472 237 N N 0.990 119.753 118.700 0.105 0.000 2.219 237 N HA 0.222 4.961 4.740 -0.000 0.000 0.263 237 N C -0.444 175.184 175.510 0.197 0.000 1.269 237 N CA 0.721 53.854 53.050 0.138 0.000 0.831 237 N CB 0.182 38.733 38.487 0.107 0.000 1.059 237 N HN 0.430 nan 8.380 nan 0.000 0.475 238 W N 6.075 127.385 121.300 0.017 0.000 2.362 238 W HA 0.490 5.150 4.660 -0.000 0.000 0.316 238 W C -1.532 174.983 176.519 -0.008 0.000 1.024 238 W CA -0.593 56.748 57.345 -0.007 0.000 1.270 238 W CB 0.442 29.894 29.460 -0.014 0.000 1.273 238 W HN 0.338 nan 8.180 nan 0.000 0.424 239 I N 5.917 126.283 120.570 -0.339 0.000 2.354 239 I HA 0.249 4.419 4.170 -0.000 0.000 0.292 239 I C 0.432 176.322 176.117 -0.379 0.000 0.989 239 I CA -0.092 61.064 61.300 -0.240 0.000 1.188 239 I CB 2.190 40.089 38.000 -0.168 0.000 1.342 239 I HN 0.239 nan 8.210 nan 0.000 0.457 240 T N 3.386 117.849 114.554 -0.150 0.000 2.888 240 T HA 0.551 4.901 4.350 -0.000 0.000 0.288 240 T C 1.108 175.777 174.700 -0.053 0.000 1.063 240 T CA 0.192 62.236 62.100 -0.093 0.000 1.010 240 T CB 1.740 70.665 68.868 0.095 0.000 1.214 240 T HN 0.617 nan 8.240 nan 0.000 0.533 241 A N 1.194 123.989 122.820 -0.041 0.000 1.940 241 A HA -0.089 4.231 4.320 -0.000 0.000 0.221 241 A C 1.104 178.674 177.584 -0.022 0.000 1.190 241 A CA 2.114 54.128 52.037 -0.039 0.000 0.647 241 A CB -0.676 18.308 19.000 -0.027 0.000 0.821 241 A HN 0.825 nan 8.150 nan 0.000 0.457 242 E N 0.529 120.730 120.200 0.003 0.000 2.373 242 E HA 0.324 4.673 4.350 -0.000 0.000 0.233 242 E C -1.230 175.383 176.600 0.022 0.000 1.035 242 E CA -0.246 56.159 56.400 0.009 0.000 0.930 242 E CB -0.207 29.503 29.700 0.017 0.000 1.278 242 E HN 0.141 nan 8.360 nan 0.000 0.452 243 T N 2.111 116.670 114.554 0.009 0.000 2.841 243 T HA 0.184 4.534 4.350 -0.000 0.000 0.285 243 T C -0.452 174.253 174.700 0.008 0.000 0.991 243 T CA -0.804 61.307 62.100 0.020 0.000 0.966 243 T CB 1.602 70.480 68.868 0.016 0.000 0.962 243 T HN 0.194 nan 8.240 nan 0.000 0.438 244 E N 2.294 122.504 120.200 0.016 0.000 2.265 244 E HA 0.402 4.752 4.350 -0.000 0.000 0.272 244 E C 0.504 177.109 176.600 0.009 0.000 1.067 244 E CA -0.075 56.331 56.400 0.010 0.000 0.900 244 E CB 0.589 30.297 29.700 0.013 0.000 1.017 244 E HN 1.011 nan 8.360 nan 0.000 0.431 245 A N 5.010 127.830 122.820 0.000 0.000 2.108 245 A HA -0.117 4.203 4.320 -0.000 0.000 0.270 245 A C -2.003 175.582 177.584 0.000 0.000 1.390 245 A CA -0.324 51.713 52.037 -0.001 0.000 0.729 245 A CB -1.278 17.725 19.000 0.005 0.000 1.185 245 A HN 0.401 nan 8.150 nan 0.000 0.318 246 P HA 0.267 nan 4.420 nan 0.000 0.246 246 P C 0.569 177.862 177.300 -0.011 0.000 1.675 246 P CA 0.560 63.650 63.100 -0.017 0.000 0.908 246 P CB 0.367 32.041 31.700 -0.044 0.000 1.890 247 E N -0.042 120.162 120.200 0.006 0.000 2.307 247 E HA -0.031 4.318 4.350 -0.000 0.000 0.195 247 E C 0.956 177.580 176.600 0.039 0.000 0.975 247 E CA 0.623 57.032 56.400 0.014 0.000 0.878 247 E CB -0.160 29.549 29.700 0.015 0.000 0.845 247 E HN 0.206 nan 8.360 nan 0.000 0.488 248 E N 0.374 120.603 120.200 0.049 0.000 2.382 248 E HA 0.109 4.458 4.350 -0.000 0.000 0.190 248 E C 1.184 177.844 176.600 0.100 0.000 1.125 248 E CA 0.394 56.839 56.400 0.075 0.000 0.929 248 E CB -0.160 29.582 29.700 0.070 0.000 1.053 248 E HN 0.250 nan 8.360 nan 0.000 0.475 249 A N 0.445 123.316 122.820 0.084 0.000 1.898 249 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 249 A C 1.361 179.082 177.584 0.228 0.000 1.181 249 A CA 0.788 52.894 52.037 0.115 0.000 0.620 249 A CB 0.018 19.033 19.000 0.026 0.000 0.819 249 A HN 0.285 nan 8.150 nan 0.000 0.442 250 I N 0.700 121.374 120.570 0.172 0.000 3.004 250 I HA 0.095 4.265 4.170 -0.000 0.000 0.328 250 I C 0.424 176.710 176.117 0.281 0.000 1.296 250 I CA -0.340 61.112 61.300 0.253 0.000 1.005 250 I CB 0.448 38.546 38.000 0.164 0.000 1.928 250 I HN 0.193 nan 8.210 nan 0.000 0.545 251 S N 1.239 117.077 115.700 0.229 0.000 2.626 251 S HA -0.098 4.372 4.470 -0.000 0.000 0.303 251 S C 1.134 175.883 174.600 0.247 0.000 1.256 251 S CA 0.063 58.374 58.200 0.185 0.000 1.069 251 S CB 0.431 63.709 63.200 0.131 0.000 0.807 251 S HN 0.398 nan 8.310 nan 0.000 0.500 252 D N 3.304 123.854 120.400 0.250 0.000 2.219 252 D HA -0.062 4.578 4.640 -0.000 0.000 0.205 252 D C 1.619 178.088 176.300 0.282 0.000 0.970 252 D CA 0.671 54.867 54.000 0.326 0.000 0.851 252 D CB -0.174 40.757 40.800 0.219 0.000 0.943 252 D HN 0.561 nan 8.370 nan 0.000 0.488 253 L N 0.215 121.541 121.223 0.172 0.000 2.450 253 L HA -0.015 4.325 4.340 -0.000 0.000 0.224 253 L C 1.877 178.800 176.870 0.088 0.000 1.149 253 L CA 0.864 55.772 54.840 0.115 0.000 0.816 253 L CB -0.451 41.651 42.059 0.071 0.000 0.932 253 L HN -0.056 nan 8.230 nan 0.000 0.449 254 A N -0.873 122.003 122.820 0.094 0.000 1.858 254 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 254 A C 2.011 179.570 177.584 -0.042 0.000 1.190 254 A CA 1.631 53.664 52.037 -0.007 0.000 0.617 254 A CB -1.145 17.730 19.000 -0.209 0.000 0.827 254 A HN 0.645 nan 8.150 nan 0.000 0.443 255 W N 0.165 121.564 121.300 0.165 0.000 2.632 255 W HA -0.033 4.627 4.660 -0.000 0.000 0.248 255 W C 2.026 178.590 176.519 0.074 0.000 1.259 255 W CA 1.415 58.843 57.345 0.138 0.000 1.288 255 W CB -0.103 29.443 29.460 0.144 0.000 1.136 255 W HN 0.524 nan 8.180 nan 0.000 0.640 256 K N 0.583 121.092 120.400 0.181 0.000 2.313 256 K HA -0.021 4.299 4.320 -0.000 0.000 0.197 256 K C 1.783 178.362 176.600 -0.036 0.000 1.061 256 K CA 0.539 56.880 56.287 0.090 0.000 0.980 256 K CB 0.163 32.709 32.500 0.077 0.000 0.888 256 K HN -0.085 nan 8.250 nan 0.000 0.502 257 K N -0.440 119.859 120.400 -0.169 0.000 2.262 257 K HA 0.036 4.356 4.320 -0.000 0.000 0.200 257 K C -0.328 175.846 176.600 -0.709 0.000 1.049 257 K CA 0.524 56.539 56.287 -0.453 0.000 0.979 257 K CB 0.288 32.410 32.500 -0.630 0.000 0.773 257 K HN 0.203 nan 8.250 nan 0.000 0.474 258 H N 0.071 119.078 119.070 -0.104 0.000 2.589 258 H HA 0.214 4.769 4.556 -0.000 0.000 0.351 258 H C -0.605 174.703 175.328 -0.034 0.000 1.074 258 H CA -0.746 55.222 56.048 -0.133 0.000 1.203 258 H CB 1.531 31.172 29.762 -0.201 0.000 1.558 258 H HN -0.065 nan 8.280 nan 0.000 0.522 262 A N 1.339 123.717 122.820 -0.737 0.000 2.386 262 A HA 0.943 5.262 4.320 -0.000 0.000 0.308 262 A C -1.677 175.286 177.584 -1.036 0.000 1.128 262 A CA -0.532 51.133 52.037 -0.619 0.000 0.789 262 A CB 1.546 20.235 19.000 -0.517 0.000 1.325 262 A HN 0.453 nan 8.150 nan 0.000 0.437 263 W N 1.680 122.637 121.300 -0.572 0.000 3.036 263 W HA 0.321 4.981 4.660 -0.000 0.000 0.337 263 W C -1.136 175.101 176.519 -0.470 0.000 1.055 263 W CA -0.324 56.804 57.345 -0.361 0.000 1.248 263 W CB 1.383 30.853 29.460 0.015 0.000 1.335 263 W HN 0.715 nan 8.180 nan 0.000 0.446 264 H N 4.144 123.265 119.070 0.086 0.000 2.476 264 H HA 0.356 4.911 4.556 -0.000 0.000 0.328 264 H C -0.287 175.074 175.328 0.055 0.000 1.073 264 H CA -0.601 55.472 56.048 0.042 0.000 1.229 264 H CB 2.743 32.457 29.762 -0.080 0.000 1.432 264 H HN 0.178 nan 8.280 nan 0.000 0.477 265 L N 5.498 126.850 121.223 0.216 0.000 2.353 265 L HA 0.214 4.554 4.340 -0.000 0.000 0.269 265 L C -0.333 176.641 176.870 0.173 0.000 1.085 265 L CA -0.705 54.165 54.840 0.050 0.000 0.938 265 L CB -0.172 41.797 42.059 -0.150 0.000 1.312 265 L HN 0.409 nan 8.230 nan 0.000 0.429 266 I N 2.166 122.787 120.570 0.086 0.000 2.779 266 I HA 0.143 4.313 4.170 -0.000 0.000 0.285 266 I C 1.002 177.218 176.117 0.164 0.000 1.134 266 I CA 0.481 61.859 61.300 0.130 0.000 1.398 266 I CB 1.259 39.290 38.000 0.052 0.000 1.404 266 I HN 0.475 nan 8.210 nan 0.000 0.587 267 T N 1.117 115.760 114.554 0.149 0.000 2.906 267 T HA 0.690 5.040 4.350 -0.000 0.000 0.295 267 T C 0.792 175.533 174.700 0.068 0.000 1.075 267 T CA -0.316 61.826 62.100 0.070 0.000 1.005 267 T CB 1.584 70.455 68.868 0.005 0.000 1.136 267 T HN 0.604 nan 8.240 nan 0.000 0.498 268 A N 1.594 124.435 122.820 0.036 0.000 1.903 268 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 268 A C 1.763 179.379 177.584 0.054 0.000 1.191 268 A CA 2.238 54.302 52.037 0.045 0.000 0.638 268 A CB -1.137 17.876 19.000 0.021 0.000 0.823 268 A HN 0.993 nan 8.150 nan 0.000 0.451 269 D N -1.322 119.106 120.400 0.047 0.000 2.319 269 D HA 0.264 4.903 4.640 -0.000 0.000 0.230 269 D C 0.988 177.339 176.300 0.086 0.000 1.094 269 D CA 0.634 54.669 54.000 0.058 0.000 0.856 269 D CB -1.079 39.749 40.800 0.046 0.000 0.915 269 D HN 0.908 nan 8.370 nan 0.000 0.517 270 G N 1.274 110.136 108.800 0.104 0.000 2.338 270 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.296 270 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.296 270 G C 0.223 175.234 174.900 0.183 0.000 1.040 270 G CA -0.082 45.099 45.100 0.136 0.000 1.004 270 G HN 0.362 nan 8.290 nan 0.000 0.509 271 Q N -0.486 119.438 119.800 0.206 0.000 2.182 271 Q HA 0.337 4.677 4.340 -0.000 0.000 0.305 271 Q C 1.353 177.551 176.000 0.330 0.000 0.880 271 Q CA 0.310 56.300 55.803 0.311 0.000 1.131 271 Q CB 0.718 29.591 28.738 0.225 0.000 1.237 271 Q HN 0.610 nan 8.270 nan 0.000 0.447 272 G N 0.540 109.556 108.800 0.360 0.000 2.485 272 G HA2 0.532 4.492 3.960 -0.000 0.000 0.260 272 G HA3 0.532 4.492 3.960 -0.000 0.000 0.260 272 G C -0.126 175.060 174.900 0.477 0.000 1.459 272 G CA -0.365 45.017 45.100 0.471 0.000 1.060 272 G HN 0.239 nan 8.290 nan 0.000 0.546 273 I N -0.278 120.541 120.570 0.416 0.000 2.447 273 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 273 I C -0.481 175.801 176.117 0.274 0.000 1.023 273 I CA -0.362 61.146 61.300 0.347 0.000 1.083 273 I CB 2.430 40.626 38.000 0.327 0.000 1.245 273 I HN 0.221 nan 8.210 nan 0.000 0.434 274 T N 7.074 121.727 114.554 0.165 0.000 2.795 274 T HA 0.552 4.902 4.350 -0.000 0.000 0.282 274 T C -0.586 173.988 174.700 -0.209 0.000 0.980 274 T CA -0.306 61.806 62.100 0.020 0.000 1.012 274 T CB 1.295 70.248 68.868 0.142 0.000 0.936 274 T HN 0.349 nan 8.240 nan 0.000 0.457 275 L N 4.539 125.534 121.223 -0.380 0.000 2.376 275 L HA 0.756 5.096 4.340 -0.000 0.000 0.275 275 L C -1.354 175.411 176.870 -0.174 0.000 0.987 275 L CA -0.659 53.919 54.840 -0.436 0.000 0.828 275 L CB 1.145 42.629 42.059 -0.957 0.000 1.249 275 L HN 0.385 nan 8.230 nan 0.000 0.409 276 V N 3.634 123.528 119.914 -0.033 0.000 2.495 276 V HA 0.382 4.502 4.120 -0.000 0.000 0.298 276 V C -0.380 175.834 176.094 0.200 0.000 1.031 276 V CA -0.700 61.677 62.300 0.129 0.000 0.871 276 V CB 1.791 33.786 31.823 0.287 0.000 0.988 276 V HN 0.774 nan 8.190 nan 0.000 0.432 277 N N 3.817 122.658 118.700 0.235 0.000 2.678 277 N HA 0.280 5.020 4.740 -0.000 0.000 0.231 277 N C 0.953 176.582 175.510 0.199 0.000 1.038 277 N CA -0.505 52.705 53.050 0.268 0.000 0.932 277 N CB 0.515 39.276 38.487 0.456 0.000 1.176 277 N HN 0.749 nan 8.380 nan 0.000 0.511 278 I N 0.146 120.781 120.570 0.109 0.000 3.176 278 I HA 0.248 4.418 4.170 -0.000 0.000 0.275 278 I C 1.044 177.172 176.117 0.018 0.000 1.298 278 I CA 0.211 61.506 61.300 -0.008 0.000 1.445 278 I CB -0.961 36.924 38.000 -0.191 0.000 1.075 278 I HN 0.487 nan 8.210 nan 0.000 0.482 279 G N 1.044 109.908 108.800 0.106 0.000 2.553 279 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.242 279 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.242 279 G C -0.562 174.380 174.900 0.071 0.000 1.277 279 G CA -0.139 45.036 45.100 0.125 0.000 0.910 279 G HN 0.372 nan 8.290 nan 0.000 0.576 280 V N 0.738 120.693 119.914 0.068 0.000 2.769 280 V HA 0.892 5.012 4.120 -0.000 0.000 0.312 280 V C 0.731 176.833 176.094 0.013 0.000 1.061 280 V CA 1.391 63.717 62.300 0.044 0.000 0.931 280 V CB 1.299 33.178 31.823 0.093 0.000 1.010 280 V HN 2.978 nan 8.190 nan 0.000 0.433 281 G N 5.714 114.506 108.800 -0.013 0.000 2.592 281 G HA2 -0.012 3.947 3.960 -0.000 0.000 0.685 281 G HA3 -0.012 3.947 3.960 -0.000 0.000 0.685 281 G C -2.894 171.964 174.900 -0.071 0.000 1.278 281 G CA -0.183 44.903 45.100 -0.024 0.000 0.822 281 G HN 0.547 nan 8.290 nan 0.000 0.652 282 P HA 0.090 nan 4.420 nan 0.000 0.224 282 P C 2.028 179.264 177.300 -0.107 0.000 1.157 282 P CA 1.408 64.444 63.100 -0.106 0.000 0.799 282 P CB 0.292 31.936 31.700 -0.093 0.000 0.809 283 S N -0.417 115.241 115.700 -0.071 0.000 2.359 283 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 283 S C 1.806 176.335 174.600 -0.119 0.000 1.035 283 S CA 1.523 59.683 58.200 -0.067 0.000 1.018 283 S CB -1.152 62.030 63.200 -0.030 0.000 0.876 283 S HN 0.325 nan 8.310 nan 0.000 0.448 284 N N 1.054 119.674 118.700 -0.133 0.000 2.142 284 N HA -0.062 4.678 4.740 -0.000 0.000 0.186 284 N C 2.046 177.392 175.510 -0.274 0.000 1.023 284 N CA 0.921 53.854 53.050 -0.195 0.000 0.852 284 N CB -0.248 38.150 38.487 -0.149 0.000 0.998 284 N HN 0.385 nan 8.380 nan 0.000 0.424 285 A N 1.929 124.581 122.820 -0.279 0.000 1.917 285 A HA -0.237 4.082 4.320 -0.000 0.000 0.219 285 A C 2.104 179.453 177.584 -0.392 0.000 1.182 285 A CA 1.512 53.306 52.037 -0.404 0.000 0.633 285 A CB -0.504 18.292 19.000 -0.340 0.000 0.819 285 A HN 0.247 nan 8.150 nan 0.000 0.448 286 K N -1.094 119.152 120.400 -0.257 0.000 1.984 286 K HA -0.129 4.191 4.320 -0.000 0.000 0.209 286 K C 2.108 178.587 176.600 -0.203 0.000 1.046 286 K CA 1.876 58.051 56.287 -0.187 0.000 0.934 286 K CB -0.487 31.945 32.500 -0.113 0.000 0.717 286 K HN 0.418 nan 8.250 nan 0.000 0.438 287 T N 1.955 116.379 114.554 -0.217 0.000 2.635 287 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 287 T C 1.819 176.322 174.700 -0.328 0.000 1.040 287 T CA 1.723 63.669 62.100 -0.257 0.000 1.156 287 T CB -0.323 68.390 68.868 -0.258 0.000 0.863 287 T HN 0.253 nan 8.240 nan 0.000 0.430 288 I N 0.621 120.995 120.570 -0.327 0.000 2.264 288 I HA -0.131 4.039 4.170 -0.000 0.000 0.248 288 I C 2.324 178.287 176.117 -0.257 0.000 1.111 288 I CA 0.880 62.026 61.300 -0.257 0.000 1.382 288 I CB -0.455 37.355 38.000 -0.316 0.000 1.060 288 I HN 0.314 nan 8.210 nan 0.000 0.418 289 C N 0.252 119.331 119.300 -0.368 0.000 2.450 289 C HA -0.081 4.379 4.460 -0.000 0.000 0.279 289 C C 2.347 177.304 174.990 -0.054 0.000 1.335 289 C CA 0.551 59.400 59.018 -0.281 0.000 1.749 289 C CB -1.172 26.384 27.740 -0.308 0.000 1.963 289 C HN 0.501 nan 8.230 nan 0.000 0.501 290 D N 0.158 120.465 120.400 -0.155 0.000 2.133 290 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 290 D C 1.942 177.964 176.300 -0.463 0.000 0.997 290 D CA 1.437 55.272 54.000 -0.276 0.000 0.840 290 D CB -0.358 40.220 40.800 -0.370 0.000 0.947 290 D HN 0.609 nan 8.370 nan 0.000 0.452 291 H N -0.614 118.372 119.070 -0.140 0.000 2.370 291 H HA 0.051 4.607 4.556 -0.000 0.000 0.304 291 H C 2.145 177.343 175.328 -0.216 0.000 1.055 291 H CA 0.136 56.072 56.048 -0.187 0.000 1.373 291 H CB -0.681 29.026 29.762 -0.091 0.000 1.423 291 H HN 0.065 nan 8.280 nan 0.000 0.533 292 L N 1.647 122.877 121.223 0.012 0.000 2.129 292 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 292 L C 2.447 179.375 176.870 0.097 0.000 1.087 292 L CA 1.523 56.406 54.840 0.072 0.000 0.757 292 L CB -0.922 41.305 42.059 0.281 0.000 0.896 292 L HN 0.217 nan 8.230 nan 0.000 0.434 293 A N -0.850 121.993 122.820 0.038 0.000 1.986 293 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 293 A C 2.289 179.758 177.584 -0.191 0.000 1.171 293 A CA 2.236 54.224 52.037 -0.082 0.000 0.640 293 A CB -1.315 17.341 19.000 -0.573 0.000 0.811 293 A HN 0.516 nan 8.150 nan 0.000 0.451 294 V N -2.543 117.104 119.914 -0.446 0.000 2.913 294 V HA -0.019 4.101 4.120 -0.000 0.000 0.260 294 V C 1.834 177.877 176.094 -0.084 0.000 1.098 294 V CA 1.673 63.744 62.300 -0.381 0.000 1.121 294 V CB -0.712 30.820 31.823 -0.484 0.000 0.714 294 V HN 0.449 nan 8.190 nan 0.000 0.487 295 L N -0.280 120.893 121.223 -0.083 0.000 2.599 295 L HA 0.283 4.623 4.340 -0.000 0.000 0.230 295 L C 0.898 177.705 176.870 -0.106 0.000 1.141 295 L CA -0.085 54.724 54.840 -0.051 0.000 0.877 295 L CB -0.266 41.714 42.059 -0.132 0.000 1.009 295 L HN 0.323 nan 8.230 nan 0.000 0.447 296 R N -1.149 119.276 120.500 -0.124 0.000 3.205 296 R HA -0.136 4.204 4.340 -0.000 0.000 0.249 296 R C -2.244 173.971 176.300 -0.142 0.000 0.937 296 R CA 0.024 56.021 56.100 -0.171 0.000 0.641 296 R CB -2.180 27.894 30.300 -0.375 0.000 1.114 296 R HN 0.237 nan 8.270 nan 0.000 0.451 297 P HA 0.026 nan 4.420 nan 0.000 0.270 297 P C 0.717 177.896 177.300 -0.201 0.000 1.227 297 P CA -0.227 62.794 63.100 -0.132 0.000 0.788 297 P CB 0.548 32.218 31.700 -0.051 0.000 0.926 298 D N -0.650 119.570 120.400 -0.300 0.000 2.271 298 D HA 0.092 4.732 4.640 -0.000 0.000 0.206 298 D C 0.249 176.371 176.300 -0.297 0.000 0.967 298 D CA 0.967 54.816 54.000 -0.252 0.000 0.867 298 D CB 0.480 40.980 40.800 -0.500 0.000 0.960 298 D HN 0.090 nan 8.370 nan 0.000 0.509 299 V N 0.257 119.998 119.914 -0.289 0.000 3.088 299 V HA 0.388 4.508 4.120 -0.000 0.000 0.272 299 V C -2.183 173.892 176.094 -0.031 0.000 1.611 299 V CA -0.964 61.217 62.300 -0.198 0.000 0.990 299 V CB 1.416 33.208 31.823 -0.052 0.000 1.234 299 V HN 0.133 nan 8.190 nan 0.000 0.453 300 W N 6.416 127.720 121.300 0.007 0.000 2.883 300 W HA 0.902 5.562 4.660 -0.000 0.000 0.335 300 W C -1.987 174.538 176.519 0.011 0.000 1.083 300 W CA -1.435 55.849 57.345 -0.102 0.000 1.233 300 W CB 0.763 30.118 29.460 -0.175 0.000 1.412 300 W HN 0.508 nan 8.180 nan 0.000 0.490 304 G N 3.711 112.442 108.800 -0.115 0.000 2.687 304 G HA2 0.652 4.611 3.960 -0.000 0.000 0.291 304 G HA3 0.652 4.611 3.960 -0.000 0.000 0.291 304 G C -1.049 173.994 174.900 0.238 0.000 1.420 304 G CA -0.651 44.399 45.100 -0.083 0.000 0.796 304 G HN 0.643 nan 8.290 nan 0.000 0.485 305 H N -2.339 116.904 119.070 0.288 0.000 2.546 305 H HA 0.759 5.315 4.556 -0.000 0.000 0.365 305 H C 0.578 175.904 175.328 -0.003 0.000 1.220 305 H CA -0.595 55.504 56.048 0.085 0.000 1.386 305 H CB 1.139 30.744 29.762 -0.262 0.000 1.510 305 H HN 0.974 nan 8.280 nan 0.000 0.591 306 C N -0.227 119.148 119.300 0.126 0.000 3.320 306 C HA 0.868 5.328 4.460 -0.000 0.000 0.335 306 C C 0.422 175.444 174.990 0.053 0.000 1.430 306 C CA -0.537 58.534 59.018 0.088 0.000 1.271 306 C CB 1.044 28.802 27.740 0.030 0.000 1.609 306 C HN 1.240 nan 8.230 nan 0.000 0.457 307 G N -0.046 108.793 108.800 0.065 0.000 2.367 307 G HA2 0.608 4.568 3.960 -0.000 0.000 0.314 307 G HA3 0.608 4.568 3.960 -0.000 0.000 0.314 307 G C 0.069 174.989 174.900 0.033 0.000 1.130 307 G CA 0.051 45.200 45.100 0.083 0.000 0.864 307 G HN 1.576 nan 8.290 nan 0.000 0.486 308 G N 0.530 109.340 108.800 0.017 0.000 2.322 308 G HA2 0.444 4.404 3.960 -0.000 0.000 0.309 308 G HA3 0.444 4.404 3.960 -0.000 0.000 0.309 308 G C 0.655 175.567 174.900 0.020 0.000 1.121 308 G CA -0.593 44.495 45.100 -0.020 0.000 0.886 308 G HN 0.535 nan 8.290 nan 0.000 0.447 309 L N 1.605 122.843 121.223 0.025 0.000 2.513 309 L HA 0.256 4.595 4.340 -0.000 0.000 0.222 309 L C 0.928 177.875 176.870 0.128 0.000 1.096 309 L CA 0.022 54.931 54.840 0.116 0.000 0.857 309 L CB -0.022 42.097 42.059 0.100 0.000 1.026 309 L HN 0.247 nan 8.230 nan 0.000 0.469 310 R N 0.711 121.210 120.500 -0.002 0.000 2.312 310 R HA 0.084 4.424 4.340 -0.000 0.000 0.311 310 R C 1.071 177.237 176.300 -0.223 0.000 1.004 310 R CA -0.302 55.782 56.100 -0.027 0.000 0.902 310 R CB 1.185 31.467 30.300 -0.030 0.000 1.073 310 R HN -0.067 nan 8.270 nan 0.000 0.457 311 E N 2.058 122.166 120.200 -0.154 0.000 2.086 311 E HA -0.232 4.118 4.350 -0.000 0.000 0.205 311 E C 1.103 177.569 176.600 -0.224 0.000 1.027 311 E CA 2.603 58.846 56.400 -0.261 0.000 0.830 311 E CB 0.143 29.904 29.700 0.101 0.000 0.751 311 E HN 0.611 nan 8.360 nan 0.000 0.456 312 S N 0.109 115.742 115.700 -0.112 0.000 2.465 312 S HA -0.148 4.322 4.470 -0.000 0.000 0.241 312 S C 1.089 175.619 174.600 -0.117 0.000 1.000 312 S CA 0.419 58.563 58.200 -0.092 0.000 0.964 312 S CB -0.276 62.892 63.200 -0.054 0.000 0.763 312 S HN 0.237 nan 8.310 nan 0.000 0.512 313 Q N 1.095 120.805 119.800 -0.149 0.000 2.373 313 Q HA 0.594 4.934 4.340 -0.000 0.000 0.255 313 Q C -0.433 175.470 176.000 -0.162 0.000 0.980 313 Q CA 0.050 55.769 55.803 -0.141 0.000 0.882 313 Q CB 0.957 29.614 28.738 -0.135 0.000 1.249 313 Q HN 0.538 nan 8.270 nan 0.000 0.438 314 A N 2.859 125.590 122.820 -0.148 0.000 2.355 314 A HA 0.463 4.783 4.320 -0.000 0.000 0.317 314 A C -0.406 177.084 177.584 -0.156 0.000 1.094 314 A CA -0.792 51.144 52.037 -0.168 0.000 0.764 314 A CB 0.738 19.633 19.000 -0.174 0.000 1.230 314 A HN 0.779 nan 8.150 nan 0.000 0.448 315 I N 1.860 122.338 120.570 -0.153 0.000 2.906 315 I HA 0.089 4.259 4.170 -0.000 0.000 0.302 315 I C 1.511 177.599 176.117 -0.048 0.000 1.220 315 I CA 2.263 63.513 61.300 -0.084 0.000 1.441 315 I CB 0.240 38.211 38.000 -0.049 0.000 1.336 315 I HN 1.159 nan 8.210 nan 0.000 0.565 316 G N 4.212 112.997 108.800 -0.026 0.000 2.238 316 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 316 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 316 G C 0.124 174.799 174.900 -0.375 0.000 0.996 316 G CA -0.373 44.681 45.100 -0.076 0.000 0.632 316 G HN 0.573 nan 8.290 nan 0.000 0.503 317 D N 0.022 120.235 120.400 -0.312 0.000 2.363 317 D HA 0.495 5.135 4.640 -0.000 0.000 0.240 317 D C 0.077 176.087 176.300 -0.484 0.000 1.236 317 D CA 0.441 54.204 54.000 -0.395 0.000 0.927 317 D CB 0.331 41.017 40.800 -0.191 0.000 1.150 317 D HN 0.199 nan 8.370 nan 0.000 0.458 318 Y N -0.850 119.425 120.300 -0.043 0.000 2.457 318 Y HA 0.451 5.001 4.550 -0.000 0.000 0.333 318 Y C 0.222 176.103 175.900 -0.032 0.000 1.119 318 Y CA -0.960 57.107 58.100 -0.055 0.000 1.143 318 Y CB 1.507 39.938 38.460 -0.047 0.000 1.230 318 Y HN -0.097 nan 8.280 nan 0.000 0.469 319 V N 4.119 124.132 119.914 0.165 0.000 2.443 319 V HA 0.299 4.419 4.120 -0.000 0.000 0.293 319 V C -1.129 175.010 176.094 0.076 0.000 1.021 319 V CA -0.743 61.600 62.300 0.072 0.000 0.848 319 V CB 1.685 33.523 31.823 0.025 0.000 0.998 319 V HN 0.523 nan 8.190 nan 0.000 0.424 320 L N 5.475 126.726 121.223 0.047 0.000 2.262 320 L HA 0.839 5.178 4.340 -0.000 0.000 0.288 320 L C 0.575 177.428 176.870 -0.028 0.000 1.035 320 L CA -0.039 54.830 54.840 0.048 0.000 0.820 320 L CB 0.895 43.003 42.059 0.081 0.000 1.204 320 L HN 0.750 nan 8.230 nan 0.000 0.424 321 A N 3.745 126.551 122.820 -0.024 0.000 2.440 321 A HA 0.398 4.718 4.320 -0.000 0.000 0.251 321 A C 0.396 177.925 177.584 -0.093 0.000 1.089 321 A CA 0.298 52.246 52.037 -0.148 0.000 0.779 321 A CB -0.080 18.754 19.000 -0.276 0.000 1.022 321 A HN 0.982 nan 8.150 nan 0.000 0.492 322 H N -0.208 118.703 119.070 -0.264 0.000 3.058 322 H HA 0.621 5.177 4.556 -0.000 0.000 0.266 322 H C -0.238 174.955 175.328 -0.224 0.000 1.135 322 H CA 0.012 55.954 56.048 -0.178 0.000 1.174 322 H CB -0.471 29.225 29.762 -0.110 0.000 1.581 322 H HN 1.095 nan 8.280 nan 0.000 0.553 323 A N 0.000 122.689 122.820 -0.219 0.000 2.583 323 A HA 0.586 4.906 4.320 -0.000 0.000 0.292 323 A C -2.235 175.052 177.584 -0.494 0.000 1.045 323 A CA -0.849 50.994 52.037 -0.324 0.000 0.672 323 A CB 0.746 19.553 19.000 -0.322 0.000 1.283 323 A HN 0.159 nan 8.150 nan 0.000 0.419 324 Y N -0.321 119.960 120.300 -0.031 0.000 2.442 324 Y HA 0.612 5.162 4.550 -0.000 0.000 0.344 324 Y C -0.322 175.528 175.900 -0.083 0.000 0.976 324 Y CA -0.769 57.298 58.100 -0.056 0.000 1.040 324 Y CB 2.152 40.573 38.460 -0.065 0.000 1.228 324 Y HN 0.613 nan 8.280 nan 0.000 0.451 325 L N 4.089 125.335 121.223 0.039 0.000 2.270 325 L HA 0.492 4.831 4.340 -0.000 0.000 0.286 325 L C -0.237 176.615 176.870 -0.030 0.000 1.059 325 L CA -0.618 54.208 54.840 -0.024 0.000 0.839 325 L CB 0.305 42.309 42.059 -0.091 0.000 1.221 325 L HN 0.537 nan 8.230 nan 0.000 0.431 326 R N 3.455 123.940 120.500 -0.025 0.000 2.853 326 R HA 0.096 4.436 4.340 -0.000 0.000 0.238 326 R C -0.378 175.874 176.300 -0.080 0.000 1.538 326 R CA 0.084 56.149 56.100 -0.058 0.000 1.166 326 R CB -0.200 30.065 30.300 -0.058 0.000 1.201 326 R HN 0.557 nan 8.270 nan 0.000 0.606 327 D N 0.788 121.113 120.400 -0.125 0.000 2.491 327 D HA -0.035 4.605 4.640 -0.000 0.000 0.228 327 D C 0.330 176.396 176.300 -0.390 0.000 1.183 327 D CA 0.247 54.126 54.000 -0.201 0.000 0.827 327 D CB 0.529 41.252 40.800 -0.128 0.000 0.989 327 D HN 0.447 nan 8.370 nan 0.000 0.494 328 D N -1.244 118.984 120.400 -0.288 0.000 2.354 328 D HA -0.101 4.539 4.640 -0.000 0.000 0.209 328 D C 0.893 177.071 176.300 -0.203 0.000 1.015 328 D CA 0.346 54.191 54.000 -0.258 0.000 0.867 328 D CB 0.052 40.761 40.800 -0.153 0.000 0.933 328 D HN 0.068 nan 8.370 nan 0.000 0.520 329 H N -0.320 118.738 119.070 -0.021 0.000 5.124 329 H HA -0.233 4.323 4.556 -0.000 0.000 0.068 329 H C 1.925 177.240 175.328 -0.022 0.000 0.548 329 H CA 1.423 57.462 56.048 -0.014 0.000 1.054 329 H CB -1.662 28.099 29.762 -0.002 0.000 0.498 329 H HN 0.214 nan 8.280 nan 0.000 0.739 330 V N 1.390 121.361 119.914 0.095 0.000 2.495 330 V HA -0.247 3.873 4.120 -0.000 0.000 0.260 330 V C 2.223 178.322 176.094 0.008 0.000 1.097 330 V CA 2.564 64.884 62.300 0.034 0.000 1.105 330 V CB -0.403 31.413 31.823 -0.011 0.000 0.678 330 V HN 0.380 nan 8.190 nan 0.000 0.469 331 L N -1.410 119.810 121.223 -0.005 0.000 3.016 331 L HA 0.207 4.546 4.340 -0.000 0.000 0.267 331 L C 1.573 178.439 176.870 -0.007 0.000 1.182 331 L CA -0.124 54.705 54.840 -0.019 0.000 0.997 331 L CB 0.155 42.181 42.059 -0.055 0.000 1.354 331 L HN 0.180 nan 8.230 nan 0.000 0.569 332 D N 1.552 121.962 120.400 0.017 0.000 2.133 332 D HA -0.244 4.396 4.640 -0.000 0.000 0.192 332 D C 2.189 178.495 176.300 0.010 0.000 1.001 332 D CA 1.786 55.798 54.000 0.020 0.000 0.844 332 D CB 0.133 40.961 40.800 0.046 0.000 0.944 332 D HN 0.360 nan 8.370 nan 0.000 0.447 333 A N 0.398 123.223 122.820 0.009 0.000 1.858 333 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 333 A C 2.440 180.027 177.584 0.004 0.000 1.190 333 A CA 2.409 54.450 52.037 0.006 0.000 0.617 333 A CB -0.842 18.162 19.000 0.007 0.000 0.827 333 A HN 0.248 nan 8.150 nan 0.000 0.443 334 V N -3.963 115.951 119.914 0.001 0.000 3.041 334 V HA 0.307 4.427 4.120 -0.000 0.000 0.260 334 V C 0.683 176.775 176.094 -0.004 0.000 1.105 334 V CA 0.959 63.258 62.300 -0.002 0.000 1.125 334 V CB -0.361 31.459 31.823 -0.007 0.000 0.730 334 V HN 0.332 nan 8.190 nan 0.000 0.479 335 L N 1.609 122.830 121.223 -0.004 0.000 2.563 335 L HA 0.660 5.000 4.340 -0.000 0.000 0.259 335 L C -2.907 173.960 176.870 -0.004 0.000 1.034 335 L CA -1.791 53.051 54.840 0.004 0.000 0.899 335 L CB 1.554 43.611 42.059 -0.002 0.000 1.159 335 L HN -0.017 nan 8.230 nan 0.000 0.456 336 P HA 0.112 nan 4.420 nan 0.000 0.265 336 P C -2.063 175.232 177.300 -0.008 0.000 1.187 336 P CA -0.698 62.403 63.100 0.001 0.000 0.766 336 P CB 0.246 31.949 31.700 0.005 0.000 0.820 337 P HA -0.212 nan 4.420 nan 0.000 0.218 337 P C 0.808 178.098 177.300 -0.018 0.000 1.146 337 P CA 1.482 64.575 63.100 -0.012 0.000 0.813 337 P CB -0.241 31.462 31.700 0.006 0.000 0.778 338 D N -1.641 118.753 120.400 -0.010 0.000 2.349 338 D HA -0.050 4.590 4.640 -0.000 0.000 0.224 338 D C 0.358 176.649 176.300 -0.015 0.000 1.029 338 D CA 0.289 54.283 54.000 -0.010 0.000 0.879 338 D CB -0.182 40.617 40.800 -0.002 0.000 0.906 338 D HN 0.111 nan 8.370 nan 0.000 0.528 339 I N 3.228 123.784 120.570 -0.024 0.000 2.352 339 I HA 0.185 4.354 4.170 -0.000 0.000 0.290 339 I C -2.063 174.000 176.117 -0.089 0.000 1.036 339 I CA -2.366 58.917 61.300 -0.027 0.000 1.336 339 I CB 0.723 38.722 38.000 -0.002 0.000 1.407 339 I HN -0.161 nan 8.210 nan 0.000 0.497 340 P HA 0.214 nan 4.420 nan 0.000 0.276 340 P C -0.677 176.462 177.300 -0.268 0.000 1.243 340 P CA -0.245 62.783 63.100 -0.120 0.000 0.768 340 P CB 1.112 32.779 31.700 -0.055 0.000 0.856 341 I N 6.205 126.624 120.570 -0.252 0.000 2.307 341 I HA 0.237 4.406 4.170 -0.000 0.000 0.287 341 I C -1.184 174.918 176.117 -0.025 0.000 1.054 341 I CA -2.489 58.610 61.300 -0.334 0.000 1.218 341 I CB 0.379 38.232 38.000 -0.245 0.000 1.398 341 I HN 0.263 nan 8.210 nan 0.000 0.475 342 P HA 0.312 nan 4.420 nan 0.000 0.289 342 P C -0.336 177.094 177.300 0.218 0.000 1.299 342 P CA -0.357 62.808 63.100 0.108 0.000 0.766 342 P CB 1.015 32.775 31.700 0.100 0.000 1.226 343 S N -0.483 115.283 115.700 0.111 0.000 2.593 343 S HA 0.465 4.935 4.470 -0.000 0.000 0.297 343 S C 0.082 174.663 174.600 -0.033 0.000 1.112 343 S CA -0.584 57.661 58.200 0.075 0.000 1.043 343 S CB 0.488 63.718 63.200 0.050 0.000 1.054 343 S HN 0.217 nan 8.310 nan 0.000 0.516 344 I N 2.945 123.426 120.570 -0.148 0.000 2.307 344 I HA 0.248 4.418 4.170 -0.000 0.000 0.287 344 I C 1.428 177.494 176.117 -0.085 0.000 1.054 344 I CA -0.588 60.614 61.300 -0.163 0.000 1.218 344 I CB -0.311 37.503 38.000 -0.310 0.000 1.398 344 I HN 0.808 nan 8.210 nan 0.000 0.475 345 A N 6.048 128.839 122.820 -0.048 0.000 1.909 345 A HA -0.266 4.054 4.320 -0.000 0.000 0.221 345 A C 1.984 179.556 177.584 -0.021 0.000 1.223 345 A CA 2.167 54.187 52.037 -0.029 0.000 0.658 345 A CB -0.381 18.606 19.000 -0.022 0.000 0.831 345 A HN 0.679 nan 8.150 nan 0.000 0.462 346 E N -0.478 119.708 120.200 -0.023 0.000 2.085 346 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 346 E C 1.919 178.520 176.600 0.001 0.000 0.994 346 E CA 1.315 57.712 56.400 -0.005 0.000 0.801 346 E CB -0.623 29.075 29.700 -0.003 0.000 0.743 346 E HN 0.400 nan 8.360 nan 0.000 0.453 347 V N 1.226 121.125 119.914 -0.025 0.000 2.515 347 V HA -0.222 3.898 4.120 -0.000 0.000 0.250 347 V C 2.158 178.267 176.094 0.025 0.000 1.058 347 V CA 1.431 63.726 62.300 -0.008 0.000 1.064 347 V CB -0.480 31.310 31.823 -0.054 0.000 0.675 347 V HN 0.236 nan 8.190 nan 0.000 0.461 348 Q N 0.226 120.035 119.800 0.016 0.000 2.046 348 Q HA -0.139 4.200 4.340 -0.000 0.000 0.200 348 Q C 2.434 178.479 176.000 0.076 0.000 0.975 348 Q CA 1.473 57.301 55.803 0.042 0.000 0.836 348 Q CB -0.366 28.379 28.738 0.011 0.000 0.896 348 Q HN 0.611 nan 8.270 nan 0.000 0.428 349 R N 0.596 121.129 120.500 0.055 0.000 2.080 349 R HA -0.123 4.217 4.340 -0.000 0.000 0.236 349 R C 2.360 178.736 176.300 0.127 0.000 1.137 349 R CA 1.398 57.557 56.100 0.098 0.000 0.943 349 R CB -0.605 29.731 30.300 0.060 0.000 0.846 349 R HN 0.250 nan 8.270 nan 0.000 0.431 350 A N 1.346 124.213 122.820 0.079 0.000 1.892 350 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 350 A C 2.088 179.709 177.584 0.063 0.000 1.188 350 A CA 1.335 53.409 52.037 0.063 0.000 0.631 350 A CB -0.483 18.547 19.000 0.050 0.000 0.822 350 A HN 0.105 nan 8.150 nan 0.000 0.447 351 L N -2.037 119.233 121.223 0.078 0.000 2.083 351 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 351 L C 2.353 179.271 176.870 0.079 0.000 1.083 351 L CA 1.836 56.716 54.840 0.067 0.000 0.752 351 L CB -1.719 40.390 42.059 0.084 0.000 0.899 351 L HN 0.617 nan 8.230 nan 0.000 0.433 352 Y N 1.138 121.437 120.300 -0.002 0.000 2.133 352 Y HA -0.236 4.314 4.550 -0.000 0.000 0.287 352 Y C 2.423 178.321 175.900 -0.003 0.000 1.134 352 Y CA 1.770 59.869 58.100 -0.001 0.000 1.133 352 Y CB -0.116 38.346 38.460 0.004 0.000 0.987 352 Y HN 0.258 nan 8.280 nan 0.000 0.502 353 D N 0.039 120.466 120.400 0.044 0.000 2.117 353 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 353 D C 2.277 178.529 176.300 -0.080 0.000 0.987 353 D CA 1.483 55.459 54.000 -0.039 0.000 0.829 353 D CB -0.727 40.098 40.800 0.042 0.000 0.961 353 D HN 0.459 nan 8.370 nan 0.000 0.460 354 A N 0.375 123.165 122.820 -0.049 0.000 1.978 354 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 354 A C 2.312 179.832 177.584 -0.106 0.000 1.170 354 A CA 1.982 53.981 52.037 -0.064 0.000 0.636 354 A CB -0.793 18.177 19.000 -0.050 0.000 0.810 354 A HN 0.232 nan 8.150 nan 0.000 0.448 355 T N -0.460 114.007 114.554 -0.145 0.000 2.951 355 T HA -0.049 4.301 4.350 -0.000 0.000 0.268 355 T C 1.874 176.484 174.700 -0.150 0.000 1.073 355 T CA 1.431 63.427 62.100 -0.174 0.000 1.134 355 T CB -0.052 68.707 68.868 -0.182 0.000 0.884 355 T HN 0.530 nan 8.240 nan 0.000 0.479 356 K N 0.839 121.119 120.400 -0.199 0.000 1.991 356 K HA 0.097 4.417 4.320 -0.000 0.000 0.207 356 K C 2.247 178.797 176.600 -0.084 0.000 1.045 356 K CA 0.937 57.127 56.287 -0.163 0.000 0.937 356 K CB -0.365 32.017 32.500 -0.195 0.000 0.720 356 K HN 0.233 nan 8.250 nan 0.000 0.438 357 L N 0.831 122.011 121.223 -0.071 0.000 1.990 357 L HA -0.226 4.113 4.340 -0.000 0.000 0.213 357 L C 2.402 179.254 176.870 -0.030 0.000 1.072 357 L CA 1.253 56.069 54.840 -0.040 0.000 0.755 357 L CB -0.730 41.310 42.059 -0.031 0.000 0.889 357 L HN 0.019 nan 8.230 nan 0.000 0.432 358 V N -1.416 118.475 119.914 -0.039 0.000 2.667 358 V HA -0.171 3.949 4.120 -0.000 0.000 0.252 358 V C 2.295 178.389 176.094 0.001 0.000 1.065 358 V CA 1.737 64.021 62.300 -0.026 0.000 1.083 358 V CB 0.016 31.809 31.823 -0.051 0.000 0.692 358 V HN 0.415 nan 8.190 nan 0.000 0.468 359 S N -0.771 114.932 115.700 0.005 0.000 2.634 359 S HA 0.401 4.871 4.470 -0.000 0.000 0.221 359 S C 0.922 175.541 174.600 0.032 0.000 0.952 359 S CA 0.596 58.830 58.200 0.057 0.000 0.930 359 S CB -0.792 62.475 63.200 0.112 0.000 0.780 359 S HN 1.026 nan 8.310 nan 0.000 0.498 360 G N 1.773 110.578 108.800 0.009 0.000 2.796 360 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 360 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 360 G C -0.808 174.089 174.900 -0.006 0.000 1.381 360 G CA -0.462 44.641 45.100 0.004 0.000 0.867 360 G HN 0.819 nan 8.290 nan 0.000 0.552 361 R N -0.926 119.572 120.500 -0.004 0.000 3.836 361 R HA -0.092 4.248 4.340 -0.000 0.000 0.126 361 R C -2.040 174.250 176.300 -0.018 0.000 0.647 361 R CA 1.279 57.375 56.100 -0.006 0.000 0.798 361 R CB -1.428 28.872 30.300 -0.001 0.000 1.619 361 R HN 0.572 nan 8.270 nan 0.000 0.296 362 P HA 0.289 nan 4.420 nan 0.000 0.333 362 P C 0.986 178.276 177.300 -0.016 0.000 1.343 362 P CA 0.419 63.498 63.100 -0.035 0.000 0.761 362 P CB 0.358 32.043 31.700 -0.025 0.000 1.701 363 G N -0.518 108.281 108.800 -0.001 0.000 2.531 363 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.274 363 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.274 363 G C 0.952 175.877 174.900 0.042 0.000 1.159 363 G CA 0.595 45.711 45.100 0.026 0.000 0.969 363 G HN 0.577 nan 8.290 nan 0.000 0.554 364 E N 0.525 120.748 120.200 0.039 0.000 2.474 364 E HA 0.089 4.439 4.350 -0.000 0.000 0.194 364 E C 2.026 178.645 176.600 0.031 0.000 1.041 364 E CA 1.049 57.477 56.400 0.047 0.000 0.874 364 E CB 0.033 29.756 29.700 0.038 0.000 0.914 364 E HN 0.459 nan 8.360 nan 0.000 0.498 365 E N 0.454 120.664 120.200 0.016 0.000 2.153 365 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 365 E C 1.999 178.602 176.600 0.004 0.000 0.988 365 E CA 1.735 58.140 56.400 0.007 0.000 0.811 365 E CB -0.182 29.519 29.700 0.001 0.000 0.746 365 E HN 0.263 nan 8.360 nan 0.000 0.466 366 V N -0.797 119.112 119.914 -0.009 0.000 2.490 366 V HA -0.157 3.963 4.120 -0.000 0.000 0.250 366 V C 2.049 178.155 176.094 0.020 0.000 1.061 366 V CA 1.932 64.220 62.300 -0.020 0.000 1.064 366 V CB -0.665 31.087 31.823 -0.119 0.000 0.670 366 V HN 0.108 nan 8.190 nan 0.000 0.461 367 K N 0.106 120.531 120.400 0.043 0.000 2.520 367 K HA -0.161 4.159 4.320 -0.000 0.000 0.197 367 K C 2.115 178.729 176.600 0.024 0.000 1.044 367 K CA 1.649 57.967 56.287 0.052 0.000 0.938 367 K CB -0.138 32.394 32.500 0.054 0.000 0.767 367 K HN 0.702 nan 8.250 nan 0.000 0.481 368 Q N -1.222 118.586 119.800 0.012 0.000 2.396 368 Q HA 0.011 4.351 4.340 -0.000 0.000 0.209 368 Q C 1.629 177.619 176.000 -0.017 0.000 0.906 368 Q CA 0.329 56.129 55.803 -0.005 0.000 0.927 368 Q CB 0.495 29.229 28.738 -0.007 0.000 1.069 368 Q HN 0.019 nan 8.270 nan 0.000 0.523 369 R N -0.119 120.380 120.500 -0.002 0.000 2.257 369 R HA 0.187 4.527 4.340 -0.000 0.000 0.195 369 R C -0.305 176.006 176.300 0.019 0.000 0.921 369 R CA 0.178 56.268 56.100 -0.016 0.000 1.069 369 R CB 0.494 30.805 30.300 0.019 0.000 1.115 369 R HN 0.061 nan 8.270 nan 0.000 0.571 370 L N 1.037 122.300 121.223 0.066 0.000 2.329 370 L HA 0.608 4.947 4.340 -0.000 0.000 0.279 370 L C -1.274 175.637 176.870 0.068 0.000 1.014 370 L CA -0.729 54.175 54.840 0.106 0.000 0.814 370 L CB 1.602 43.736 42.059 0.125 0.000 1.257 370 L HN -0.027 nan 8.230 nan 0.000 0.424 371 R N 2.320 122.849 120.500 0.049 0.000 2.476 371 R HA 0.580 4.920 4.340 -0.000 0.000 0.305 371 R C -1.372 174.909 176.300 -0.033 0.000 0.965 371 R CA -0.260 55.839 56.100 -0.001 0.000 0.867 371 R CB 1.471 31.752 30.300 -0.031 0.000 1.176 371 R HN 0.717 nan 8.270 nan 0.000 0.447 372 T N 3.090 117.599 114.554 -0.076 0.000 2.733 372 T HA 0.735 5.085 4.350 -0.000 0.000 0.294 372 T C -0.267 174.181 174.700 -0.419 0.000 0.956 372 T CA 0.133 62.124 62.100 -0.182 0.000 0.987 372 T CB 1.228 70.008 68.868 -0.147 0.000 0.920 372 T HN 0.753 nan 8.240 nan 0.000 0.470 373 G N 1.911 110.378 108.800 -0.555 0.000 2.650 373 G HA2 0.515 4.475 3.960 -0.000 0.000 0.310 373 G HA3 0.515 4.475 3.960 -0.000 0.000 0.310 373 G C -1.016 173.619 174.900 -0.441 0.000 1.270 373 G CA -0.606 44.039 45.100 -0.758 0.000 0.810 373 G HN 0.473 nan 8.290 nan 0.000 0.493 374 T N 0.511 115.025 114.554 -0.067 0.000 2.817 374 T HA 0.532 4.881 4.350 -0.000 0.000 0.293 374 T C -0.079 174.549 174.700 -0.121 0.000 0.964 374 T CA -0.048 62.060 62.100 0.014 0.000 1.085 374 T CB 1.213 70.118 68.868 0.062 0.000 0.921 374 T HN 0.423 nan 8.240 nan 0.000 0.502 375 V N 4.329 124.143 119.914 -0.167 0.000 2.547 375 V HA 0.418 4.538 4.120 -0.000 0.000 0.299 375 V C 0.015 176.038 176.094 -0.119 0.000 1.040 375 V CA -0.805 61.413 62.300 -0.136 0.000 0.913 375 V CB 1.963 33.750 31.823 -0.061 0.000 0.992 375 V HN 0.633 nan 8.190 nan 0.000 0.449 376 V N 3.481 123.254 119.914 -0.235 0.000 2.350 376 V HA 0.347 4.467 4.120 -0.000 0.000 0.276 376 V C 0.370 176.332 176.094 -0.220 0.000 1.028 376 V CA -0.159 61.967 62.300 -0.290 0.000 0.860 376 V CB 1.513 32.967 31.823 -0.615 0.000 0.990 376 V HN 0.969 nan 8.190 nan 0.000 0.453 377 T N 4.005 118.481 114.554 -0.130 0.000 2.767 377 T HA 0.471 4.821 4.350 -0.000 0.000 0.284 377 T C 0.049 174.660 174.700 -0.148 0.000 0.973 377 T CA -0.074 61.955 62.100 -0.119 0.000 0.996 377 T CB 1.345 70.159 68.868 -0.091 0.000 0.927 377 T HN 0.791 nan 8.240 nan 0.000 0.456 378 T N 1.061 115.532 114.554 -0.139 0.000 2.924 378 T HA 0.403 4.753 4.350 -0.000 0.000 0.291 378 T C -0.009 174.649 174.700 -0.070 0.000 1.045 378 T CA -0.860 61.169 62.100 -0.119 0.000 1.015 378 T CB 1.281 70.097 68.868 -0.086 0.000 1.103 378 T HN 0.619 nan 8.240 nan 0.000 0.496 379 D N 1.220 121.572 120.400 -0.079 0.000 2.402 379 D HA 0.138 4.778 4.640 -0.000 0.000 0.216 379 D C -0.146 176.190 176.300 0.061 0.000 1.128 379 D CA -0.218 53.771 54.000 -0.018 0.000 0.833 379 D CB 0.224 41.003 40.800 -0.035 0.000 0.971 379 D HN 0.371 nan 8.370 nan 0.000 0.503 380 D N 0.909 121.373 120.400 0.106 0.000 2.473 380 D HA 0.157 4.797 4.640 -0.000 0.000 0.226 380 D C 1.241 177.697 176.300 0.259 0.000 1.089 380 D CA -0.569 53.537 54.000 0.176 0.000 0.883 380 D CB 1.186 42.114 40.800 0.213 0.000 1.029 380 D HN -0.099 nan 8.370 nan 0.000 0.517 381 R N 2.914 123.525 120.500 0.184 0.000 2.127 381 R HA -0.023 4.317 4.340 -0.000 0.000 0.238 381 R C 0.286 176.672 176.300 0.143 0.000 1.134 381 R CA 1.176 57.389 56.100 0.189 0.000 0.975 381 R CB 0.092 30.457 30.300 0.107 0.000 0.865 381 R HN 0.220 nan 8.270 nan 0.000 0.447 382 N N 1.050 119.800 118.700 0.083 0.000 2.558 382 N HA -0.017 4.723 4.740 -0.000 0.000 0.281 382 N C 0.341 175.826 175.510 -0.041 0.000 1.219 382 N CA 0.077 53.096 53.050 -0.051 0.000 0.942 382 N CB 0.035 38.502 38.487 -0.034 0.000 1.241 382 N HN 0.439 nan 8.380 nan 0.000 0.511 383 W N 0.840 122.176 121.300 0.060 0.000 2.350 383 W HA -0.125 4.535 4.660 -0.000 0.000 0.289 383 W C 0.555 177.116 176.519 0.069 0.000 1.215 383 W CA 0.413 57.806 57.345 0.080 0.000 1.236 383 W CB -0.642 28.899 29.460 0.135 0.000 1.130 383 W HN 0.065 nan 8.180 nan 0.000 0.541 384 E N 1.463 121.136 120.200 -0.878 0.000 2.130 384 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 384 E C 2.227 178.682 176.600 -0.243 0.000 0.998 384 E CA 2.028 57.961 56.400 -0.779 0.000 0.806 384 E CB -0.771 28.394 29.700 -0.892 0.000 0.738 384 E HN 0.303 nan 8.360 nan 0.000 0.459 385 L N -0.001 121.124 121.223 -0.163 0.000 2.549 385 L HA -0.058 4.282 4.340 -0.000 0.000 0.229 385 L C 1.200 178.072 176.870 0.003 0.000 1.158 385 L CA 0.806 55.607 54.840 -0.065 0.000 0.842 385 L CB -0.060 41.970 42.059 -0.049 0.000 0.952 385 L HN 0.000 nan 8.230 nan 0.000 0.452 386 R N -2.087 118.446 120.500 0.056 0.000 2.698 386 R HA 0.049 4.389 4.340 -0.000 0.000 0.422 386 R C 0.773 177.136 176.300 0.104 0.000 1.073 386 R CA -0.256 55.888 56.100 0.075 0.000 1.054 386 R CB 0.303 30.654 30.300 0.086 0.000 1.373 386 R HN 0.023 nan 8.270 nan 0.000 0.593 387 Y N 2.202 122.493 120.300 -0.016 0.000 2.053 387 Y HA -0.355 4.194 4.550 -0.000 0.000 0.277 387 Y C 2.370 178.206 175.900 -0.108 0.000 1.159 387 Y CA 2.274 60.349 58.100 -0.042 0.000 1.125 387 Y CB -0.456 37.978 38.460 -0.043 0.000 0.969 387 Y HN 0.176 nan 8.280 nan 0.000 0.492 388 S N 0.559 116.060 115.700 -0.332 0.000 2.381 388 S HA -0.357 4.113 4.470 -0.000 0.000 0.230 388 S C 2.265 176.668 174.600 -0.328 0.000 1.052 388 S CA 1.928 59.891 58.200 -0.394 0.000 1.068 388 S CB -1.565 61.532 63.200 -0.171 0.000 0.918 388 S HN 0.601 nan 8.310 nan 0.000 0.448 389 A N 1.120 123.828 122.820 -0.187 0.000 2.019 389 A HA 0.042 4.362 4.320 -0.000 0.000 0.219 389 A C 2.377 179.876 177.584 -0.142 0.000 1.164 389 A CA 1.763 53.728 52.037 -0.120 0.000 0.644 389 A CB -0.779 18.194 19.000 -0.044 0.000 0.805 389 A HN 0.578 nan 8.150 nan 0.000 0.449 390 S N -0.871 114.686 115.700 -0.237 0.000 2.456 390 S HA 0.257 4.727 4.470 -0.000 0.000 0.224 390 S C 2.274 176.603 174.600 -0.452 0.000 1.035 390 S CA 0.566 58.601 58.200 -0.274 0.000 0.940 390 S CB -0.255 62.743 63.200 -0.338 0.000 0.799 390 S HN 0.790 nan 8.310 nan 0.000 0.508 391 A N 2.275 124.659 122.820 -0.727 0.000 1.923 391 A HA -0.246 4.074 4.320 -0.000 0.000 0.222 391 A C 2.078 179.557 177.584 -0.174 0.000 1.258 391 A CA 2.066 53.722 52.037 -0.635 0.000 0.670 391 A CB -1.109 17.361 19.000 -0.884 0.000 0.834 391 A HN 0.439 nan 8.150 nan 0.000 0.470 392 L N -0.455 120.685 121.223 -0.138 0.000 1.990 392 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 392 L C 2.569 179.473 176.870 0.056 0.000 1.072 392 L CA 2.549 57.371 54.840 -0.030 0.000 0.755 392 L CB -0.554 41.483 42.059 -0.037 0.000 0.889 392 L HN 0.426 nan 8.230 nan 0.000 0.432 393 R N -1.814 118.745 120.500 0.098 0.000 2.096 393 R HA -0.145 4.194 4.340 -0.000 0.000 0.235 393 R C 2.204 178.653 176.300 0.249 0.000 1.127 393 R CA 1.475 57.669 56.100 0.157 0.000 0.968 393 R CB -0.522 29.880 30.300 0.170 0.000 0.861 393 R HN 0.262 nan 8.270 nan 0.000 0.440 394 F N 1.323 121.270 119.950 -0.004 0.000 2.091 394 F HA -0.249 4.277 4.527 -0.000 0.000 0.299 394 F C 2.231 178.044 175.800 0.021 0.000 1.103 394 F CA 1.174 59.181 58.000 0.012 0.000 1.228 394 F CB -0.957 38.086 39.000 0.071 0.000 0.984 394 F HN 0.162 nan 8.300 nan 0.000 0.477 395 N N 0.096 118.941 118.700 0.241 0.000 2.062 395 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 395 N C 2.000 177.561 175.510 0.086 0.000 1.042 395 N CA 0.803 53.934 53.050 0.136 0.000 0.845 395 N CB -0.245 38.301 38.487 0.098 0.000 1.024 395 N HN 0.085 nan 8.380 nan 0.000 0.424 396 L N 1.422 122.691 121.223 0.075 0.000 2.089 396 L HA -0.173 4.167 4.340 -0.000 0.000 0.213 396 L C 2.336 179.226 176.870 0.035 0.000 1.079 396 L CA 1.840 56.708 54.840 0.047 0.000 0.758 396 L CB -0.820 41.266 42.059 0.044 0.000 0.891 396 L HN 0.325 nan 8.230 nan 0.000 0.433 397 S N -1.791 113.930 115.700 0.035 0.000 2.575 397 S HA 0.055 4.524 4.470 -0.000 0.000 0.215 397 S C 0.779 175.382 174.600 0.005 0.000 0.966 397 S CA -0.382 57.821 58.200 0.005 0.000 0.911 397 S CB -0.050 63.134 63.200 -0.026 0.000 0.780 397 S HN 0.439 nan 8.310 nan 0.000 0.514 398 R N 0.431 120.945 120.500 0.024 0.000 3.525 398 R HA -0.125 4.215 4.340 -0.000 0.000 0.276 398 R C 0.343 176.640 176.300 -0.005 0.000 1.116 398 R CA 0.757 56.872 56.100 0.025 0.000 0.745 398 R CB -3.072 27.248 30.300 0.033 0.000 1.185 398 R HN 0.745 nan 8.270 nan 0.000 0.454 399 A N 0.105 122.900 122.820 -0.043 0.000 2.561 399 A HA 0.212 4.532 4.320 -0.000 0.000 0.234 399 A C 1.423 178.951 177.584 -0.092 0.000 1.055 399 A CA 0.704 52.661 52.037 -0.134 0.000 0.756 399 A CB 0.683 19.485 19.000 -0.330 0.000 0.986 399 A HN 0.189 nan 8.150 nan 0.000 0.505 400 V N 1.371 121.216 119.914 -0.115 0.000 3.455 400 V HA 0.535 4.654 4.120 -0.000 0.000 0.250 400 V C 0.855 176.895 176.094 -0.090 0.000 1.230 400 V CA 1.592 63.840 62.300 -0.086 0.000 1.105 400 V CB 0.050 31.813 31.823 -0.100 0.000 0.850 400 V HN 1.426 nan 8.190 nan 0.000 0.461 401 A N -0.229 122.512 122.820 -0.132 0.000 2.609 401 A HA 0.763 5.083 4.320 -0.000 0.000 0.291 401 A C -1.638 175.824 177.584 -0.203 0.000 1.096 401 A CA -0.389 51.576 52.037 -0.120 0.000 0.684 401 A CB 1.759 20.716 19.000 -0.072 0.000 1.282 401 A HN 0.187 nan 8.150 nan 0.000 0.412 402 I N 1.393 121.851 120.570 -0.186 0.000 2.533 402 I HA 0.556 4.726 4.170 -0.000 0.000 0.290 402 I C -1.636 174.402 176.117 -0.132 0.000 1.056 402 I CA -0.388 60.744 61.300 -0.279 0.000 1.057 402 I CB 1.679 39.364 38.000 -0.525 0.000 1.240 402 I HN 0.955 nan 8.210 nan 0.000 0.423 406 S N 1.512 117.161 115.700 -0.084 0.000 2.435 406 S HA -0.372 4.098 4.470 -0.000 0.000 0.250 406 S C 2.112 176.524 174.600 -0.313 0.000 1.065 406 S CA 2.342 60.516 58.200 -0.043 0.000 1.243 406 S CB -0.825 62.483 63.200 0.180 0.000 1.158 406 S HN 0.479 nan 8.310 nan 0.000 0.430 407 A N 0.985 123.585 122.820 -0.367 0.000 1.903 407 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 407 A C 2.369 179.665 177.584 -0.480 0.000 1.191 407 A CA 2.586 54.244 52.037 -0.631 0.000 0.638 407 A CB -1.664 17.177 19.000 -0.264 0.000 0.823 407 A HN 0.599 nan 8.150 nan 0.000 0.451 408 T N 0.435 114.803 114.554 -0.310 0.000 2.684 408 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 408 T C 1.799 176.333 174.700 -0.277 0.000 1.036 408 T CA 1.497 63.441 62.100 -0.260 0.000 1.148 408 T CB -0.329 68.404 68.868 -0.224 0.000 0.863 408 T HN 0.328 nan 8.240 nan 0.000 0.436 409 I N 1.791 122.182 120.570 -0.298 0.000 2.226 409 I HA -0.120 4.050 4.170 -0.000 0.000 0.245 409 I C 2.955 179.014 176.117 -0.097 0.000 1.100 409 I CA 1.176 62.325 61.300 -0.253 0.000 1.374 409 I CB -1.688 36.192 38.000 -0.200 0.000 1.057 409 I HN 0.207 nan 8.210 nan 0.000 0.413 410 A N 1.076 123.697 122.820 -0.331 0.000 1.858 410 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 410 A C 2.623 179.762 177.584 -0.742 0.000 1.190 410 A CA 2.346 53.972 52.037 -0.684 0.000 0.617 410 A CB -1.006 17.425 19.000 -0.949 0.000 0.827 410 A HN 0.409 nan 8.150 nan 0.000 0.443 411 A N -1.109 121.421 122.820 -0.484 0.000 1.873 411 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 411 A C 2.148 179.642 177.584 -0.149 0.000 1.193 411 A CA 1.950 53.813 52.037 -0.290 0.000 0.629 411 A CB -0.653 18.206 19.000 -0.235 0.000 0.826 411 A HN 0.548 nan 8.150 nan 0.000 0.447 412 Q N -0.791 118.957 119.800 -0.088 0.000 2.061 412 Q HA -0.159 4.180 4.340 -0.000 0.000 0.204 412 Q C 2.298 178.468 176.000 0.283 0.000 0.984 412 Q CA 1.702 57.547 55.803 0.069 0.000 0.846 412 Q CB -1.076 27.798 28.738 0.226 0.000 0.902 412 Q HN 0.681 nan 8.270 nan 0.000 0.421 413 G N 0.040 109.103 108.800 0.437 0.000 2.476 413 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.218 413 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.218 413 G C 1.380 176.379 174.900 0.164 0.000 1.164 413 G CA 1.044 46.347 45.100 0.338 0.000 0.768 413 G HN 0.405 nan 8.290 nan 0.000 0.560 414 Y N 1.614 121.810 120.300 -0.174 0.000 2.097 414 Y HA -0.128 4.421 4.550 -0.000 0.000 0.282 414 Y C 3.050 178.903 175.900 -0.078 0.000 1.152 414 Y CA 2.080 60.156 58.100 -0.042 0.000 1.136 414 Y CB -0.257 38.102 38.460 -0.169 0.000 0.975 414 Y HN 0.051 nan 8.280 nan 0.000 0.498 415 R N -1.005 119.376 120.500 -0.198 0.000 2.105 415 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 415 R C 1.341 177.366 176.300 -0.459 0.000 1.135 415 R CA 1.637 57.463 56.100 -0.456 0.000 0.967 415 R CB -0.584 29.300 30.300 -0.693 0.000 0.861 415 R HN 0.352 nan 8.270 nan 0.000 0.442 416 F N 0.225 120.170 119.950 -0.009 0.000 2.639 416 F HA 0.249 4.775 4.527 -0.000 0.000 0.300 416 F C 0.154 175.818 175.800 -0.227 0.000 1.109 416 F CA -0.652 57.304 58.000 -0.074 0.000 1.335 416 F CB 0.039 39.103 39.000 0.107 0.000 1.014 416 F HN -0.215 nan 8.300 nan 0.000 0.537 417 R N -0.232 120.231 120.500 -0.062 0.000 3.264 417 R HA -0.129 4.211 4.340 -0.000 0.000 0.251 417 R C -1.423 174.808 176.300 -0.115 0.000 0.971 417 R CA 0.075 56.126 56.100 -0.082 0.000 0.658 417 R CB -2.521 27.721 30.300 -0.097 0.000 1.095 417 R HN 0.064 nan 8.270 nan 0.000 0.443 418 V N 0.729 120.543 119.914 -0.166 0.000 2.407 418 V HA 0.371 4.491 4.120 -0.000 0.000 0.291 418 V C -1.972 173.926 176.094 -0.327 0.000 1.018 418 V CA -2.194 59.856 62.300 -0.417 0.000 0.842 418 V CB 2.316 33.542 31.823 -0.995 0.000 0.996 418 V HN 0.014 nan 8.190 nan 0.000 0.426 419 P HA 0.102 nan 4.420 nan 0.000 0.264 419 P C -1.301 175.871 177.300 -0.214 0.000 1.183 419 P CA 0.536 63.440 63.100 -0.326 0.000 0.763 419 P CB 0.065 31.534 31.700 -0.386 0.000 0.807 420 Y N 0.658 120.937 120.300 -0.035 0.000 2.609 420 Y HA 0.915 5.465 4.550 -0.000 0.000 0.342 420 Y C -0.114 175.895 175.900 0.182 0.000 1.058 420 Y CA -1.468 56.715 58.100 0.139 0.000 1.055 420 Y CB 1.153 39.783 38.460 0.283 0.000 1.292 420 Y HN 0.562 nan 8.280 nan 0.000 0.476 421 G N -0.180 108.865 108.800 0.409 0.000 2.667 421 G HA2 0.512 4.472 3.960 -0.000 0.000 0.294 421 G HA3 0.512 4.472 3.960 -0.000 0.000 0.294 421 G C -1.973 173.126 174.900 0.331 0.000 1.467 421 G CA -1.003 44.282 45.100 0.307 0.000 0.852 421 G HN 0.665 nan 8.290 nan 0.000 0.521 422 T N 0.820 115.559 114.554 0.307 0.000 2.840 422 T HA 0.535 4.884 4.350 -0.000 0.000 0.287 422 T C -1.090 173.723 174.700 0.187 0.000 0.991 422 T CA -0.294 61.965 62.100 0.266 0.000 0.964 422 T CB 1.419 70.499 68.868 0.355 0.000 0.954 422 T HN 0.538 nan 8.240 nan 0.000 0.438 423 L N 5.489 126.820 121.223 0.179 0.000 2.454 423 L HA 0.544 4.884 4.340 -0.000 0.000 0.258 423 L C -0.971 176.083 176.870 0.307 0.000 1.025 423 L CA -0.385 54.568 54.840 0.188 0.000 0.901 423 L CB 0.311 42.456 42.059 0.143 0.000 1.210 423 L HN 0.577 nan 8.230 nan 0.000 0.457 424 L N 2.387 123.752 121.223 0.235 0.000 2.454 424 L HA 0.534 4.873 4.340 -0.000 0.000 0.256 424 L C -0.213 176.773 176.870 0.193 0.000 1.136 424 L CA -0.711 54.279 54.840 0.250 0.000 0.804 424 L CB 1.519 43.660 42.059 0.137 0.000 1.181 424 L HN 0.586 nan 8.230 nan 0.000 0.469 425 C N 1.170 120.570 119.300 0.167 0.000 2.397 425 C HA 0.506 4.966 4.460 -0.000 0.000 0.325 425 C C 0.013 175.042 174.990 0.064 0.000 1.201 425 C CA -0.618 58.445 59.018 0.076 0.000 1.377 425 C CB 0.829 28.602 27.740 0.055 0.000 2.038 425 C HN 0.484 nan 8.230 nan 0.000 0.457 426 V N 6.787 126.686 119.914 -0.025 0.000 2.458 426 V HA 0.143 4.263 4.120 -0.000 0.000 0.287 426 V C 1.367 177.394 176.094 -0.111 0.000 1.009 426 V CA 1.147 63.411 62.300 -0.061 0.000 1.091 426 V CB 0.867 32.643 31.823 -0.078 0.000 0.960 426 V HN 1.043 nan 8.190 nan 0.000 0.476 427 S N 1.988 117.537 115.700 -0.251 0.000 2.540 427 S HA 0.177 4.647 4.470 -0.000 0.000 0.218 427 S C 0.255 174.725 174.600 -0.218 0.000 0.977 427 S CA 0.206 58.117 58.200 -0.482 0.000 0.918 427 S CB -0.067 62.497 63.200 -1.061 0.000 0.806 427 S HN 0.982 nan 8.310 nan 0.000 0.496 428 D N -0.233 120.095 120.400 -0.121 0.000 2.913 428 D HA 0.130 4.770 4.640 -0.000 0.000 0.293 428 D C -1.943 174.340 176.300 -0.027 0.000 1.238 428 D CA -0.603 53.358 54.000 -0.066 0.000 0.738 428 D CB 0.323 41.083 40.800 -0.068 0.000 1.254 428 D HN 0.143 nan 8.370 nan 0.000 0.429 429 K N 0.651 121.047 120.400 -0.007 0.000 2.626 429 K HA 0.379 4.699 4.320 -0.000 0.000 0.223 429 K C -2.201 174.457 176.600 0.095 0.000 0.992 429 K CA -1.605 54.704 56.287 0.038 0.000 1.024 429 K CB 2.421 34.899 32.500 -0.037 0.000 1.225 429 K HN 0.027 nan 8.250 nan 0.000 0.498 430 P HA -0.172 nan 4.420 nan 0.000 0.216 430 P C 0.716 178.018 177.300 0.002 0.000 1.150 430 P CA 0.822 63.959 63.100 0.060 0.000 0.843 430 P CB 0.283 32.109 31.700 0.209 0.000 0.787 431 L N -2.545 118.742 121.223 0.107 0.000 2.591 431 L HA 0.031 4.370 4.340 -0.000 0.000 0.228 431 L C 0.266 176.972 176.870 -0.274 0.000 1.133 431 L CA 1.185 55.969 54.840 -0.095 0.000 0.880 431 L CB -1.408 40.621 42.059 -0.050 0.000 1.033 431 L HN 0.081 nan 8.230 nan 0.000 0.450 432 H N -1.736 117.301 119.070 -0.055 0.000 2.535 432 H HA 0.565 5.121 4.556 -0.000 0.000 0.232 432 H C 1.254 176.552 175.328 -0.050 0.000 1.405 432 H CA -0.112 55.908 56.048 -0.047 0.000 1.224 432 H CB 0.271 30.012 29.762 -0.036 0.000 1.763 432 H HN 0.085 nan 8.280 nan 0.000 0.529 433 G N 1.333 110.139 108.800 0.010 0.000 2.990 433 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.225 433 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.225 433 G C 0.384 175.274 174.900 -0.018 0.000 1.304 433 G CA 0.247 45.342 45.100 -0.010 0.000 0.816 433 G HN 0.553 nan 8.290 nan 0.000 0.528 434 E N 1.002 121.198 120.200 -0.006 0.000 2.035 434 E HA 0.616 4.966 4.350 -0.000 0.000 0.271 434 E C -0.094 176.490 176.600 -0.027 0.000 0.953 434 E CA -0.777 55.611 56.400 -0.020 0.000 0.777 434 E CB 0.802 30.490 29.700 -0.019 0.000 1.104 434 E HN 0.456 nan 8.360 nan 0.000 0.408 435 I N 3.936 124.477 120.570 -0.048 0.000 2.517 435 I HA 0.143 4.313 4.170 -0.000 0.000 0.289 435 I C 0.075 176.151 176.117 -0.069 0.000 1.149 435 I CA -0.870 60.390 61.300 -0.066 0.000 1.189 435 I CB -0.205 37.727 38.000 -0.113 0.000 1.641 435 I HN 0.250 nan 8.210 nan 0.000 0.560 436 K N 3.062 123.425 120.400 -0.063 0.000 2.136 436 K HA 0.566 4.886 4.320 -0.000 0.000 0.237 436 K C -0.467 176.071 176.600 -0.104 0.000 1.048 436 K CA -0.556 55.688 56.287 -0.070 0.000 0.880 436 K CB 0.928 33.394 32.500 -0.057 0.000 1.105 436 K HN 0.144 nan 8.250 nan 0.000 0.507 437 L N 0.882 122.037 121.223 -0.113 0.000 2.439 437 L HA 0.325 4.665 4.340 -0.000 0.000 0.270 437 L C -2.495 174.249 176.870 -0.210 0.000 0.972 437 L CA -1.755 52.994 54.840 -0.152 0.000 0.836 437 L CB 1.324 43.327 42.059 -0.092 0.000 1.255 437 L HN 0.316 nan 8.230 nan 0.000 0.404 438 P HA 0.202 nan 4.420 nan 0.000 0.257 438 P C 0.712 177.840 177.300 -0.288 0.000 1.162 438 P CA 0.807 63.556 63.100 -0.585 0.000 0.762 438 P CB 0.404 31.455 31.700 -1.082 0.000 0.753 439 G N 1.519 110.286 108.800 -0.056 0.000 2.309 439 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.183 439 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.183 439 G C -0.437 174.496 174.900 0.055 0.000 1.063 439 G CA -0.424 44.762 45.100 0.144 0.000 0.768 439 G HN 0.645 nan 8.290 nan 0.000 0.490 440 Q N -1.103 118.721 119.800 0.040 0.000 2.565 440 Q HA 0.708 5.048 4.340 -0.000 0.000 0.294 440 Q C 0.133 176.153 176.000 0.033 0.000 1.005 440 Q CA -0.421 55.394 55.803 0.019 0.000 0.771 440 Q CB 1.503 30.235 28.738 -0.011 0.000 1.486 440 Q HN 1.235 nan 8.270 nan 0.000 0.422 441 A N 2.667 125.501 122.820 0.023 0.000 2.752 441 A HA 0.085 4.405 4.320 -0.000 0.000 0.292 441 A C -0.243 177.368 177.584 0.045 0.000 1.597 441 A CA 0.431 52.484 52.037 0.027 0.000 1.241 441 A CB -0.790 18.219 19.000 0.016 0.000 1.061 441 A HN 0.472 nan 8.150 nan 0.000 0.576 442 N N 2.054 120.795 118.700 0.069 0.000 2.765 442 N HA 0.101 4.841 4.740 -0.000 0.000 0.277 442 N C 1.037 176.623 175.510 0.127 0.000 1.750 442 N CA -0.337 52.781 53.050 0.114 0.000 0.827 442 N CB 0.203 38.770 38.487 0.134 0.000 1.200 442 N HN 0.714 nan 8.380 nan 0.000 0.494 443 R N 0.143 120.687 120.500 0.073 0.000 2.196 443 R HA -0.217 4.122 4.340 -0.000 0.000 0.259 443 R C 0.734 176.933 176.300 -0.169 0.000 1.154 443 R CA 2.202 58.261 56.100 -0.069 0.000 0.976 443 R CB -0.090 30.131 30.300 -0.133 0.000 0.888 443 R HN 0.302 nan 8.270 nan 0.000 0.453 444 F N -2.069 117.894 119.950 0.022 0.000 2.416 444 F HA -0.048 4.479 4.527 -0.000 0.000 0.296 444 F C 1.960 177.795 175.800 0.058 0.000 1.099 444 F CA 0.620 58.632 58.000 0.020 0.000 1.427 444 F CB -0.411 38.594 39.000 0.008 0.000 1.079 444 F HN 0.075 nan 8.300 nan 0.000 0.536 445 Y N 1.493 121.870 120.300 0.128 0.000 2.184 445 Y HA -0.117 4.433 4.550 -0.000 0.000 0.290 445 Y C 2.263 178.202 175.900 0.064 0.000 1.129 445 Y CA 1.320 59.469 58.100 0.081 0.000 1.144 445 Y CB -0.555 37.935 38.460 0.051 0.000 0.995 445 Y HN -0.080 nan 8.280 nan 0.000 0.513 446 E N 0.022 120.140 120.200 -0.137 0.000 2.114 446 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 446 E C 2.412 178.881 176.600 -0.218 0.000 1.008 446 E CA 1.390 57.658 56.400 -0.219 0.000 0.810 446 E CB -1.008 28.633 29.700 -0.098 0.000 0.739 446 E HN 0.614 nan 8.360 nan 0.000 0.456 447 G N 0.666 109.373 108.800 -0.156 0.000 2.443 447 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.219 447 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.219 447 G C 1.655 176.500 174.900 -0.090 0.000 1.131 447 G CA 0.939 45.959 45.100 -0.134 0.000 0.775 447 G HN 0.387 nan 8.290 nan 0.000 0.547 448 A N 0.519 123.297 122.820 -0.071 0.000 2.021 448 A HA 0.259 4.579 4.320 -0.000 0.000 0.216 448 A C 2.253 179.855 177.584 0.031 0.000 1.163 448 A CA 0.422 52.470 52.037 0.019 0.000 0.676 448 A CB -0.208 18.823 19.000 0.051 0.000 0.818 448 A HN 0.327 nan 8.150 nan 0.000 0.453 449 I N -0.328 120.134 120.570 -0.180 0.000 2.147 449 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 449 I C 2.841 178.872 176.117 -0.143 0.000 1.059 449 I CA 1.896 63.015 61.300 -0.303 0.000 1.320 449 I CB -0.244 37.395 38.000 -0.603 0.000 1.021 449 I HN 0.425 nan 8.210 nan 0.000 0.415 450 S N -0.178 115.456 115.700 -0.109 0.000 2.355 450 S HA -0.239 4.231 4.470 -0.000 0.000 0.222 450 S C 2.019 176.622 174.600 0.005 0.000 1.031 450 S CA 1.678 59.842 58.200 -0.062 0.000 0.993 450 S CB -0.227 62.936 63.200 -0.061 0.000 0.859 450 S HN 0.468 nan 8.310 nan 0.000 0.453 451 E N -0.098 120.136 120.200 0.057 0.000 2.077 451 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 451 E C 1.950 178.634 176.600 0.140 0.000 0.989 451 E CA 1.369 57.826 56.400 0.094 0.000 0.800 451 E CB -0.439 29.355 29.700 0.157 0.000 0.746 451 E HN 0.804 nan 8.360 nan 0.000 0.452 452 H N -0.176 118.972 119.070 0.131 0.000 2.289 452 H HA -0.194 4.362 4.556 -0.000 0.000 0.296 452 H C 2.409 177.776 175.328 0.065 0.000 1.091 452 H CA 1.417 57.548 56.048 0.138 0.000 1.274 452 H CB -0.003 30.010 29.762 0.418 0.000 1.364 452 H HN 0.229 nan 8.280 nan 0.000 0.490 453 L N 1.144 122.453 121.223 0.143 0.000 2.079 453 L HA -0.211 4.128 4.340 -0.000 0.000 0.210 453 L C 2.205 178.990 176.870 -0.141 0.000 1.081 453 L CA 1.535 56.368 54.840 -0.013 0.000 0.752 453 L CB -0.623 41.461 42.059 0.042 0.000 0.896 453 L HN 0.358 nan 8.230 nan 0.000 0.433 454 Q N -0.381 119.335 119.800 -0.140 0.000 2.167 454 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 454 Q C 2.348 178.256 176.000 -0.153 0.000 0.970 454 Q CA 1.792 57.467 55.803 -0.213 0.000 0.855 454 Q CB -0.230 28.414 28.738 -0.157 0.000 0.911 454 Q HN 0.633 nan 8.270 nan 0.000 0.438 455 I N -0.081 120.424 120.570 -0.108 0.000 2.226 455 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 455 I C 2.281 178.338 176.117 -0.100 0.000 1.100 455 I CA 1.264 62.493 61.300 -0.119 0.000 1.374 455 I CB -0.697 37.189 38.000 -0.190 0.000 1.057 455 I HN 0.193 nan 8.210 nan 0.000 0.413 456 G N 1.392 110.129 108.800 -0.106 0.000 2.421 456 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 456 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 456 G C 1.707 176.546 174.900 -0.102 0.000 1.171 456 G CA 0.584 45.623 45.100 -0.101 0.000 0.775 456 G HN 0.308 nan 8.290 nan 0.000 0.543 457 I N 0.323 120.795 120.570 -0.164 0.000 2.226 457 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 457 I C 2.816 178.871 176.117 -0.104 0.000 1.100 457 I CA 1.260 62.450 61.300 -0.183 0.000 1.374 457 I CB -0.173 37.569 38.000 -0.430 0.000 1.057 457 I HN 0.099 nan 8.210 nan 0.000 0.413 458 R N 1.857 122.298 120.500 -0.098 0.000 2.075 458 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 458 R C 2.216 178.496 176.300 -0.034 0.000 1.126 458 R CA 1.853 57.922 56.100 -0.051 0.000 0.963 458 R CB -0.850 29.419 30.300 -0.052 0.000 0.858 458 R HN 0.313 nan 8.270 nan 0.000 0.435 459 A N 0.787 123.587 122.820 -0.034 0.000 1.917 459 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 459 A C 2.368 179.956 177.584 0.006 0.000 1.182 459 A CA 1.857 53.891 52.037 -0.005 0.000 0.633 459 A CB -0.715 18.287 19.000 0.004 0.000 0.819 459 A HN 0.401 nan 8.150 nan 0.000 0.448 460 I N -0.309 120.258 120.570 -0.005 0.000 2.179 460 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 460 I C 1.994 178.032 176.117 -0.131 0.000 1.088 460 I CA 1.608 62.897 61.300 -0.019 0.000 1.357 460 I CB -0.567 37.426 38.000 -0.012 0.000 1.051 460 I HN 0.284 nan 8.210 nan 0.000 0.409 461 D N 0.956 121.301 120.400 -0.092 0.000 2.116 461 D HA -0.177 4.462 4.640 -0.000 0.000 0.193 461 D C 2.340 178.601 176.300 -0.066 0.000 0.998 461 D CA 1.316 55.262 54.000 -0.089 0.000 0.836 461 D CB -0.394 40.396 40.800 -0.018 0.000 0.951 461 D HN 0.287 nan 8.370 nan 0.000 0.449 462 L N 0.182 121.389 121.223 -0.027 0.000 2.012 462 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 462 L C 2.651 179.530 176.870 0.016 0.000 1.073 462 L CA 0.829 55.669 54.840 -0.000 0.000 0.748 462 L CB -0.480 41.587 42.059 0.013 0.000 0.891 462 L HN 0.062 nan 8.230 nan 0.000 0.431 463 L N -0.708 120.533 121.223 0.031 0.000 2.093 463 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 463 L C 2.869 179.813 176.870 0.124 0.000 1.085 463 L CA 1.049 55.946 54.840 0.096 0.000 0.755 463 L CB -0.505 41.649 42.059 0.157 0.000 0.904 463 L HN 0.256 nan 8.230 nan 0.000 0.435 464 R N 0.334 120.817 120.500 -0.028 0.000 2.081 464 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 464 R C 2.301 178.612 176.300 0.018 0.000 1.131 464 R CA 1.443 57.483 56.100 -0.099 0.000 0.960 464 R CB -0.188 29.796 30.300 -0.527 0.000 0.856 464 R HN 0.347 nan 8.270 nan 0.000 0.436 465 A N 1.011 123.827 122.820 -0.007 0.000 1.930 465 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 465 A C 1.685 179.297 177.584 0.048 0.000 1.175 465 A CA 1.098 53.144 52.037 0.015 0.000 0.627 465 A CB -0.304 18.698 19.000 0.003 0.000 0.815 465 A HN 0.291 nan 8.150 nan 0.000 0.443 466 E N 0.031 120.269 120.200 0.063 0.000 2.501 466 E HA 0.033 4.383 4.350 -0.000 0.000 0.203 466 E C 1.558 178.217 176.600 0.099 0.000 1.072 466 E CA 0.573 57.018 56.400 0.075 0.000 0.885 466 E CB -0.948 28.800 29.700 0.081 0.000 0.813 466 E HN 0.635 nan 8.360 nan 0.000 0.556 467 G N 1.895 110.763 108.800 0.113 0.000 2.672 467 G HA2 -0.458 3.502 3.960 -0.000 0.000 0.324 467 G HA3 -0.458 3.502 3.960 -0.000 0.000 0.324 467 G C 0.839 175.839 174.900 0.166 0.000 1.286 467 G CA 0.816 45.994 45.100 0.130 0.000 1.004 467 G HN 0.413 nan 8.290 nan 0.000 0.548 468 D N -0.537 119.949 120.400 0.143 0.000 2.317 468 D HA 0.080 4.720 4.640 -0.000 0.000 0.211 468 D C 2.377 178.776 176.300 0.167 0.000 0.966 468 D CA 0.869 54.975 54.000 0.176 0.000 0.876 468 D CB -0.018 40.864 40.800 0.136 0.000 0.927 468 D HN 0.318 nan 8.370 nan 0.000 0.519 469 R N 0.036 120.605 120.500 0.115 0.000 2.249 469 R HA -0.095 4.245 4.340 -0.000 0.000 0.230 469 R C 1.933 178.302 176.300 0.116 0.000 1.121 469 R CA 0.471 56.623 56.100 0.087 0.000 0.997 469 R CB -0.724 29.612 30.300 0.060 0.000 0.867 469 R HN 0.266 nan 8.270 nan 0.000 0.465 470 L N -0.087 121.239 121.223 0.171 0.000 1.990 470 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 470 L C 0.021 176.963 176.870 0.121 0.000 1.072 470 L CA 1.824 56.757 54.840 0.156 0.000 0.755 470 L CB -0.777 41.412 42.059 0.218 0.000 0.889 470 L HN 0.223 nan 8.230 nan 0.000 0.432 471 H N -0.280 118.847 119.070 0.095 0.000 2.803 471 H HA 0.413 4.969 4.556 -0.000 0.000 0.330 471 H C 0.718 176.074 175.328 0.046 0.000 1.057 471 H CA 0.262 56.367 56.048 0.096 0.000 1.458 471 H CB 0.525 30.433 29.762 0.242 0.000 1.470 471 H HN 0.484 nan 8.280 nan 0.000 0.560 472 S N 2.327 118.083 115.700 0.095 0.000 2.786 472 S HA 0.488 4.958 4.470 -0.000 0.000 0.302 472 S C 0.713 175.339 174.600 0.042 0.000 1.080 472 S CA -1.026 57.199 58.200 0.043 0.000 0.925 472 S CB 1.588 64.791 63.200 0.006 0.000 1.325 472 S HN 0.656 nan 8.310 nan 0.000 0.576 473 R N 0.117 120.625 120.500 0.014 0.000 2.472 473 R HA 0.300 4.639 4.340 -0.000 0.000 0.279 473 R C 1.069 177.375 176.300 0.010 0.000 0.953 473 R CA -0.175 55.928 56.100 0.006 0.000 1.088 473 R CB 0.086 30.374 30.300 -0.020 0.000 1.197 473 R HN 0.561 nan 8.270 nan 0.000 0.536 474 K N 0.554 120.969 120.400 0.025 0.000 2.442 474 K HA -0.014 4.306 4.320 -0.000 0.000 0.198 474 K C 1.209 177.863 176.600 0.091 0.000 1.042 474 K CA 0.873 57.195 56.287 0.059 0.000 0.958 474 K CB 0.229 32.766 32.500 0.061 0.000 0.766 474 K HN 0.205 nan 8.250 nan 0.000 0.474 475 L N 0.090 121.339 121.223 0.043 0.000 2.638 475 L HA 0.147 4.487 4.340 -0.000 0.000 0.232 475 L C 0.626 177.459 176.870 -0.062 0.000 1.099 475 L CA -0.286 54.541 54.840 -0.020 0.000 0.883 475 L CB 0.181 42.241 42.059 0.001 0.000 1.136 475 L HN -0.006 nan 8.230 nan 0.000 0.492 476 R N 0.992 121.483 120.500 -0.014 0.000 2.643 476 R HA 0.173 4.513 4.340 -0.000 0.000 0.270 476 R C 0.380 176.667 176.300 -0.023 0.000 1.061 476 R CA 0.266 56.360 56.100 -0.011 0.000 1.107 476 R CB 0.729 31.016 30.300 -0.022 0.000 0.999 476 R HN 0.109 nan 8.270 nan 0.000 0.460 477 T N -1.560 113.003 114.554 0.015 0.000 2.889 477 T HA 0.290 4.640 4.350 -0.000 0.000 0.278 477 T C 0.951 175.709 174.700 0.098 0.000 0.995 477 T CA -0.750 61.413 62.100 0.106 0.000 0.966 477 T CB 0.404 69.353 68.868 0.135 0.000 1.237 477 T HN 0.318 nan 8.240 nan 0.000 0.591 478 F N 1.733 121.699 119.950 0.027 0.000 2.146 478 F HA 0.072 4.599 4.527 -0.000 0.000 0.298 478 F C 1.904 177.741 175.800 0.062 0.000 1.096 478 F CA 0.970 58.999 58.000 0.048 0.000 1.275 478 F CB -0.792 38.239 39.000 0.052 0.000 1.008 478 F HN 0.607 nan 8.300 nan 0.000 0.480 479 N N 0.116 118.971 118.700 0.259 0.000 2.455 479 N HA 0.049 4.788 4.740 -0.000 0.000 0.258 479 N C -0.377 175.185 175.510 0.085 0.000 1.158 479 N CA -0.139 53.015 53.050 0.173 0.000 0.893 479 N CB -0.608 37.965 38.487 0.144 0.000 1.173 479 N HN 0.056 nan 8.380 nan 0.000 0.503 480 E N 1.678 121.909 120.200 0.052 0.000 2.417 480 E HA 0.149 4.499 4.350 -0.000 0.000 0.261 480 E C -2.214 174.326 176.600 -0.099 0.000 1.000 480 E CA -1.625 54.767 56.400 -0.013 0.000 0.919 480 E CB 0.305 30.002 29.700 -0.005 0.000 0.955 480 E HN 0.251 nan 8.360 nan 0.000 0.455 481 P HA 0.013 nan 4.420 nan 0.000 0.267 481 P C -2.190 174.910 177.300 -0.333 0.000 1.200 481 P CA -0.880 62.032 63.100 -0.314 0.000 0.772 481 P CB 0.470 31.823 31.700 -0.579 0.000 0.855 482 P HA -0.128 nan 4.420 nan 0.000 0.216 482 P C 0.185 177.373 177.300 -0.187 0.000 1.153 482 P CA 1.310 64.036 63.100 -0.623 0.000 0.858 482 P CB -0.077 31.017 31.700 -1.011 0.000 0.789 483 F N -0.243 119.521 119.950 -0.309 0.000 2.418 483 F HA 0.205 4.732 4.527 -0.000 0.000 0.341 483 F C 1.656 177.452 175.800 -0.007 0.000 1.120 483 F CA -1.448 56.446 58.000 -0.177 0.000 1.232 483 F CB -0.591 38.352 39.000 -0.095 0.000 1.175 483 F HN -0.199 nan 8.300 nan 0.000 0.569 484 R N 0.000 120.593 120.500 0.155 0.000 2.786 484 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 484 R CA 0.000 56.154 56.100 0.090 0.000 0.921 484 R CB 0.000 30.005 30.300 -0.492 0.000 0.687 484 R HN 0.000 nan 8.270 nan 0.000 0.535