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_B 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 0.000 176.828 176.870 -0.070 0.000 1.165 8 L CA 0.000 54.844 54.840 0.007 0.000 0.813 8 L CB 0.000 42.028 42.059 -0.051 0.000 0.961 9 T N 0.896 115.357 114.554 -0.156 0.000 2.936 9 T HA 0.705 5.055 4.350 -0.000 0.000 0.282 9 T C -2.298 172.182 174.700 -0.366 0.000 1.003 9 T CA -1.641 60.194 62.100 -0.442 0.000 1.005 9 T CB 1.915 70.603 68.868 -0.301 0.000 1.097 9 T HN 0.444 nan 8.240 nan 0.000 0.532 10 P HA -0.105 nan 4.420 nan 0.000 0.208 10 P C 1.782 178.999 177.300 -0.138 0.000 1.180 10 P CA 2.173 65.126 63.100 -0.246 0.000 0.935 10 P CB -0.515 31.053 31.700 -0.219 0.000 0.785 11 A N -0.768 121.986 122.820 -0.110 0.000 1.971 11 A HA -0.355 3.965 4.320 -0.000 0.000 0.222 11 A C 2.248 179.805 177.584 -0.045 0.000 1.182 11 A CA 2.277 54.279 52.037 -0.058 0.000 0.649 11 A CB -1.562 17.414 19.000 -0.039 0.000 0.818 11 A HN 0.298 nan 8.150 nan 0.000 0.458 12 Q N -1.077 118.688 119.800 -0.060 0.000 2.016 12 Q HA -0.038 4.302 4.340 -0.000 0.000 0.200 12 Q C 2.542 178.526 176.000 -0.026 0.000 0.978 12 Q CA 1.302 57.084 55.803 -0.035 0.000 0.833 12 Q CB -0.395 28.320 28.738 -0.037 0.000 0.895 12 Q HN 0.693 nan 8.270 nan 0.000 0.427 13 A N 1.079 123.871 122.820 -0.047 0.000 1.908 13 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 13 A C 2.102 179.686 177.584 0.001 0.000 1.181 13 A CA 1.283 53.305 52.037 -0.024 0.000 0.627 13 A CB -0.850 18.126 19.000 -0.039 0.000 0.818 13 A HN 0.299 nan 8.150 nan 0.000 0.445 14 L N -0.531 120.687 121.223 -0.008 0.000 2.012 14 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 14 L C 2.195 179.082 176.870 0.028 0.000 1.073 14 L CA 1.687 56.533 54.840 0.011 0.000 0.748 14 L CB -0.760 41.298 42.059 -0.001 0.000 0.891 14 L HN 0.350 nan 8.230 nan 0.000 0.431 15 D N -0.081 120.332 120.400 0.021 0.000 2.144 15 D HA -0.199 4.441 4.640 -0.000 0.000 0.199 15 D C 2.119 178.446 176.300 0.046 0.000 0.984 15 D CA 1.178 55.198 54.000 0.033 0.000 0.834 15 D CB -0.023 40.790 40.800 0.023 0.000 0.955 15 D HN 0.262 nan 8.370 nan 0.000 0.465 16 K N 0.431 120.856 120.400 0.041 0.000 2.155 16 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 16 K C 2.253 178.899 176.600 0.077 0.000 1.052 16 K CA 0.362 56.681 56.287 0.052 0.000 0.948 16 K CB 0.027 32.551 32.500 0.041 0.000 0.728 16 K HN 0.068 nan 8.250 nan 0.000 0.448 17 L N 0.835 122.105 121.223 0.078 0.000 2.027 17 L HA -0.200 4.140 4.340 -0.000 0.000 0.206 17 L C 2.147 179.105 176.870 0.147 0.000 1.074 17 L CA 1.188 56.092 54.840 0.106 0.000 0.745 17 L CB -0.470 41.638 42.059 0.081 0.000 0.898 17 L HN 0.244 nan 8.230 nan 0.000 0.433 18 D N 0.186 120.658 120.400 0.120 0.000 2.103 18 D HA -0.239 4.401 4.640 -0.000 0.000 0.190 18 D C 2.126 178.527 176.300 0.169 0.000 0.997 18 D CA 1.804 55.893 54.000 0.149 0.000 0.833 18 D CB -0.049 40.811 40.800 0.100 0.000 0.961 18 D HN 0.332 nan 8.370 nan 0.000 0.447 19 A N 1.122 124.011 122.820 0.116 0.000 1.849 19 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 19 A C 2.560 180.211 177.584 0.111 0.000 1.202 19 A CA 1.442 53.536 52.037 0.096 0.000 0.629 19 A CB -1.135 17.908 19.000 0.070 0.000 0.834 19 A HN 0.267 nan 8.150 nan 0.000 0.447 20 L N -2.198 119.099 121.223 0.124 0.000 2.081 20 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 20 L C 2.607 179.577 176.870 0.167 0.000 1.080 20 L CA 2.047 56.966 54.840 0.130 0.000 0.754 20 L CB -0.545 41.596 42.059 0.136 0.000 0.893 20 L HN 0.649 nan 8.230 nan 0.000 0.433 21 Y N 1.000 121.351 120.300 0.085 0.000 2.092 21 Y HA -0.254 4.296 4.550 -0.000 0.000 0.282 21 Y C 2.658 178.598 175.900 0.066 0.000 1.126 21 Y CA 1.668 59.822 58.100 0.090 0.000 1.111 21 Y CB -0.250 38.277 38.460 0.113 0.000 0.987 21 Y HN 0.144 nan 8.280 nan 0.000 0.489 22 E N 0.411 120.632 120.200 0.034 0.000 2.086 22 E HA -0.359 3.991 4.350 -0.000 0.000 0.200 22 E C 2.146 178.696 176.600 -0.083 0.000 1.012 22 E CA 1.807 58.169 56.400 -0.063 0.000 0.812 22 E CB -0.734 28.991 29.700 0.042 0.000 0.743 22 E HN 0.682 nan 8.360 nan 0.000 0.453 23 Q N 0.551 120.342 119.800 -0.015 0.000 2.045 23 Q HA -0.155 4.185 4.340 -0.000 0.000 0.206 23 Q C 2.305 178.302 176.000 -0.004 0.000 0.991 23 Q CA 2.134 57.939 55.803 0.004 0.000 0.851 23 Q CB 0.027 28.786 28.738 0.035 0.000 0.911 23 Q HN 0.138 nan 8.270 nan 0.000 0.418 24 S N -0.324 115.362 115.700 -0.024 0.000 2.383 24 S HA -0.124 4.346 4.470 -0.000 0.000 0.227 24 S C 1.829 176.388 174.600 -0.068 0.000 1.026 24 S CA 1.051 59.256 58.200 0.007 0.000 0.981 24 S CB -0.244 62.960 63.200 0.006 0.000 0.818 24 S HN 0.447 nan 8.310 nan 0.000 0.472 25 V N 1.704 121.469 119.914 -0.247 0.000 2.307 25 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 25 V C 2.024 178.033 176.094 -0.141 0.000 1.045 25 V CA 1.654 63.795 62.300 -0.266 0.000 1.024 25 V CB -0.517 31.043 31.823 -0.439 0.000 0.651 25 V HN 0.355 nan 8.190 nan 0.000 0.449 26 V N 1.011 120.864 119.914 -0.101 0.000 2.332 26 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 26 V C 2.973 179.067 176.094 0.001 0.000 1.055 26 V CA 2.293 64.566 62.300 -0.044 0.000 1.038 26 V CB -1.441 30.369 31.823 -0.022 0.000 0.651 26 V HN 0.685 nan 8.190 nan 0.000 0.450 27 A N -0.687 122.162 122.820 0.049 0.000 1.908 27 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 27 A C 2.293 179.994 177.584 0.195 0.000 1.181 27 A CA 1.988 54.123 52.037 0.164 0.000 0.627 27 A CB -0.526 18.618 19.000 0.240 0.000 0.818 27 A HN 0.476 nan 8.150 nan 0.000 0.445 28 L N -1.186 120.029 121.223 -0.013 0.000 2.109 28 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 28 L C 2.824 179.543 176.870 -0.251 0.000 1.086 28 L CA 1.240 55.813 54.840 -0.446 0.000 0.760 28 L CB -0.343 41.381 42.059 -0.558 0.000 0.910 28 L HN 0.408 nan 8.230 nan 0.000 0.437 29 R N -0.287 120.126 120.500 -0.144 0.000 2.083 29 R HA -0.222 4.118 4.340 -0.000 0.000 0.237 29 R C 1.998 178.257 176.300 -0.069 0.000 1.137 29 R CA 1.938 57.971 56.100 -0.113 0.000 0.951 29 R CB -0.373 29.881 30.300 -0.076 0.000 0.851 29 R HN 0.390 nan 8.270 nan 0.000 0.434 30 N N 0.315 119.008 118.700 -0.011 0.000 2.025 30 N HA -0.194 4.546 4.740 -0.000 0.000 0.194 30 N C 1.675 177.229 175.510 0.074 0.000 1.044 30 N CA 1.935 55.006 53.050 0.035 0.000 0.851 30 N CB -0.235 38.292 38.487 0.068 0.000 1.036 30 N HN 0.251 nan 8.380 nan 0.000 0.422 31 A N 0.567 123.474 122.820 0.145 0.000 1.917 31 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 31 A C 2.263 179.984 177.584 0.228 0.000 1.182 31 A CA 1.376 53.587 52.037 0.290 0.000 0.633 31 A CB -0.902 18.423 19.000 0.541 0.000 0.819 31 A HN 0.399 nan 8.150 nan 0.000 0.448 32 I N -0.621 119.901 120.570 -0.080 0.000 2.226 32 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 32 I C 2.719 178.777 176.117 -0.098 0.000 1.100 32 I CA 1.100 62.187 61.300 -0.354 0.000 1.374 32 I CB -0.772 36.938 38.000 -0.484 0.000 1.057 32 I HN 0.423 nan 8.210 nan 0.000 0.413 33 G N 1.228 110.000 108.800 -0.045 0.000 2.446 33 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 33 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 33 G C 1.401 176.315 174.900 0.025 0.000 1.168 33 G CA 0.786 45.877 45.100 -0.016 0.000 0.771 33 G HN 0.317 nan 8.290 nan 0.000 0.551 34 N N -0.115 118.627 118.700 0.071 0.000 2.120 34 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 34 N C 1.848 177.422 175.510 0.106 0.000 1.024 34 N CA 1.218 54.319 53.050 0.084 0.000 0.852 34 N CB -0.629 37.926 38.487 0.113 0.000 1.003 34 N HN 0.487 nan 8.380 nan 0.000 0.424 35 Y N 1.421 121.770 120.300 0.081 0.000 2.274 35 Y HA 0.008 4.558 4.550 -0.000 0.000 0.290 35 Y C 2.087 178.003 175.900 0.028 0.000 1.145 35 Y CA 1.096 59.257 58.100 0.102 0.000 1.203 35 Y CB -0.179 38.432 38.460 0.253 0.000 0.984 35 Y HN -0.012 nan 8.280 nan 0.000 0.533 36 I N -0.604 119.959 120.570 -0.013 0.000 2.406 36 I HA -0.225 3.945 4.170 -0.000 0.000 0.249 36 I C 2.426 178.472 176.117 -0.118 0.000 1.122 36 I CA 1.635 62.881 61.300 -0.091 0.000 1.431 36 I CB -0.596 37.382 38.000 -0.036 0.000 1.087 36 I HN 0.353 nan 8.210 nan 0.000 0.424 37 T N -1.927 112.581 114.554 -0.077 0.000 2.814 37 T HA -0.060 4.290 4.350 -0.000 0.000 0.254 37 T C 1.939 176.590 174.700 -0.082 0.000 1.037 37 T CA 1.205 63.265 62.100 -0.066 0.000 1.143 37 T CB -0.441 68.405 68.868 -0.036 0.000 0.866 37 T HN 0.362 nan 8.240 nan 0.000 0.431 38 S N 0.260 115.913 115.700 -0.077 0.000 2.468 38 S HA 0.514 4.984 4.470 -0.000 0.000 0.226 38 S C 1.921 176.446 174.600 -0.126 0.000 1.051 38 S CA 0.495 58.649 58.200 -0.077 0.000 0.943 38 S CB -0.158 63.019 63.200 -0.038 0.000 0.810 38 S HN 1.423 nan 8.310 nan 0.000 0.509 39 G N 1.213 109.901 108.800 -0.188 0.000 2.159 39 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.170 39 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.170 39 G C -0.267 174.590 174.900 -0.071 0.000 1.007 39 G CA -0.001 44.916 45.100 -0.305 0.000 0.672 39 G HN 0.681 nan 8.290 nan 0.000 0.507 40 E N 0.267 120.480 120.200 0.023 0.000 2.373 40 E HA 0.504 4.854 4.350 -0.000 0.000 0.267 40 E C -0.132 176.584 176.600 0.193 0.000 1.032 40 E CA -0.463 55.986 56.400 0.081 0.000 0.889 40 E CB 0.404 30.140 29.700 0.061 0.000 0.984 40 E HN 0.142 nan 8.360 nan 0.000 0.425 41 L N 5.130 126.395 121.223 0.070 0.000 2.334 41 L HA 0.480 4.820 4.340 -0.000 0.000 0.270 41 L C -2.143 174.709 176.870 -0.029 0.000 1.018 41 L CA -1.960 52.867 54.840 -0.023 0.000 0.811 41 L CB 1.062 42.985 42.059 -0.227 0.000 1.271 41 L HN 0.585 nan 8.230 nan 0.000 0.443 42 P HA 0.209 nan 4.420 nan 0.000 0.278 42 P C -1.478 175.766 177.300 -0.093 0.000 1.238 42 P CA -0.612 62.477 63.100 -0.019 0.000 0.794 42 P CB 0.388 32.130 31.700 0.069 0.000 0.955 43 D N 2.622 122.969 120.400 -0.087 0.000 2.343 43 D HA -0.032 4.608 4.640 -0.000 0.000 0.255 43 D C 0.551 176.780 176.300 -0.119 0.000 1.187 43 D CA -0.218 53.727 54.000 -0.093 0.000 0.875 43 D CB 0.888 41.645 40.800 -0.071 0.000 1.136 43 D HN 0.220 nan 8.370 nan 0.000 0.469 44 E N 2.635 122.773 120.200 -0.104 0.000 2.284 44 E HA -0.263 4.087 4.350 -0.000 0.000 0.200 44 E C 1.293 177.833 176.600 -0.100 0.000 1.008 44 E CA 0.920 57.260 56.400 -0.100 0.000 0.829 44 E CB -0.208 29.451 29.700 -0.068 0.000 0.744 44 E HN 0.667 nan 8.360 nan 0.000 0.491 45 N N 0.559 119.204 118.700 -0.090 0.000 2.135 45 N HA -0.081 4.659 4.740 -0.000 0.000 0.186 45 N C 1.637 177.088 175.510 -0.099 0.000 1.027 45 N CA 1.675 54.678 53.050 -0.079 0.000 0.849 45 N CB -0.179 38.272 38.487 -0.061 0.000 1.002 45 N HN 0.111 nan 8.380 nan 0.000 0.425 46 A N 0.423 123.168 122.820 -0.124 0.000 2.015 46 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 46 A C 2.172 179.626 177.584 -0.217 0.000 1.163 46 A CA 0.909 52.858 52.037 -0.147 0.000 0.646 46 A CB -0.381 18.531 19.000 -0.146 0.000 0.806 46 A HN 0.328 nan 8.150 nan 0.000 0.448 47 R N -0.298 120.035 120.500 -0.279 0.000 2.075 47 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 47 R C 1.439 177.632 176.300 -0.179 0.000 1.126 47 R CA 1.162 57.055 56.100 -0.345 0.000 0.963 47 R CB -0.161 29.929 30.300 -0.350 0.000 0.858 47 R HN 0.205 nan 8.270 nan 0.000 0.435 48 K N 0.571 120.896 120.400 -0.124 0.000 2.515 48 K HA -0.106 4.214 4.320 -0.000 0.000 0.196 48 K C 1.427 177.987 176.600 -0.066 0.000 1.038 48 K CA 0.882 57.123 56.287 -0.077 0.000 0.967 48 K CB 0.135 32.598 32.500 -0.061 0.000 0.780 48 K HN 0.076 nan 8.250 nan 0.000 0.483 49 Q N -0.211 119.541 119.800 -0.081 0.000 2.319 49 Q HA 0.155 4.495 4.340 -0.000 0.000 0.202 49 Q C 0.103 176.074 176.000 -0.048 0.000 0.896 49 Q CA 0.378 56.147 55.803 -0.057 0.000 0.942 49 Q CB 0.617 29.320 28.738 -0.059 0.000 1.083 49 Q HN 0.394 nan 8.270 nan 0.000 0.510 50 G N 0.310 109.074 108.800 -0.060 0.000 2.270 50 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.224 50 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.224 50 G C 0.309 175.186 174.900 -0.038 0.000 1.079 50 G CA 0.302 45.387 45.100 -0.025 0.000 0.807 50 G HN 0.374 nan 8.290 nan 0.000 0.492 51 L N -0.885 120.252 121.223 -0.143 0.000 2.007 51 L HA 0.290 4.630 4.340 -0.000 0.000 0.205 51 L C 1.829 178.723 176.870 0.040 0.000 1.073 51 L CA 1.444 56.164 54.840 -0.199 0.000 0.744 51 L CB -0.027 41.676 42.059 -0.593 0.000 0.898 51 L HN 0.421 nan 8.230 nan 0.000 0.435 52 F N -0.335 119.620 119.950 0.008 0.000 2.986 52 F HA 0.241 4.768 4.527 -0.000 0.000 0.297 52 F C -0.029 175.757 175.800 -0.025 0.000 1.210 52 F CA -0.794 57.201 58.000 -0.008 0.000 1.346 52 F CB 0.507 39.525 39.000 0.031 0.000 1.007 52 F HN -0.189 nan 8.300 nan 0.000 0.512 53 V N 0.171 120.175 119.914 0.150 0.000 2.667 53 V HA 0.260 4.380 4.120 -0.000 0.000 0.308 53 V C -0.163 176.027 176.094 0.160 0.000 1.048 53 V CA -1.031 61.354 62.300 0.141 0.000 0.928 53 V CB 1.713 33.614 31.823 0.130 0.000 1.004 53 V HN 0.139 nan 8.190 nan 0.000 0.444 54 Y N 4.548 124.983 120.300 0.224 0.000 2.397 54 Y HA 0.248 4.798 4.550 -0.000 0.000 0.335 54 Y C -1.852 174.167 175.900 0.199 0.000 1.213 54 Y CA -1.447 56.806 58.100 0.255 0.000 1.391 54 Y CB 0.345 38.946 38.460 0.235 0.000 1.293 54 Y HN 0.464 nan 8.280 nan 0.000 0.557 55 P HA 0.055 nan 4.420 nan 0.000 0.272 55 P C -0.914 176.503 177.300 0.195 0.000 1.230 55 P CA -0.227 63.015 63.100 0.237 0.000 0.788 55 P CB 0.863 32.691 31.700 0.214 0.000 0.949 56 S N 1.019 116.801 115.700 0.135 0.000 2.500 56 S HA 0.642 5.112 4.470 -0.000 0.000 0.301 56 S C -1.344 173.301 174.600 0.075 0.000 1.092 56 S CA -0.586 57.675 58.200 0.103 0.000 1.030 56 S CB 0.042 63.296 63.200 0.090 0.000 1.031 56 S HN 0.284 nan 8.310 nan 0.000 0.483 57 L N 4.619 125.876 121.223 0.057 0.000 2.333 57 L HA 0.719 5.059 4.340 -0.000 0.000 0.280 57 L C -0.732 176.156 176.870 0.031 0.000 1.004 57 L CA 0.298 55.167 54.840 0.048 0.000 0.820 57 L CB 1.824 43.923 42.059 0.067 0.000 1.247 57 L HN 0.671 nan 8.230 nan 0.000 0.416 58 T N 4.165 118.741 114.554 0.038 0.000 2.848 58 T HA 0.686 5.035 4.350 -0.000 0.000 0.285 58 T C -1.078 173.667 174.700 0.075 0.000 0.995 58 T CA -0.474 61.661 62.100 0.058 0.000 0.970 58 T CB 1.774 70.684 68.868 0.070 0.000 0.976 58 T HN 0.299 nan 8.240 nan 0.000 0.441 59 V N 3.411 123.409 119.914 0.140 0.000 2.483 59 V HA 0.540 4.660 4.120 -0.000 0.000 0.297 59 V C -0.058 176.217 176.094 0.302 0.000 1.027 59 V CA -0.722 61.699 62.300 0.201 0.000 0.855 59 V CB 1.981 33.934 31.823 0.217 0.000 0.995 59 V HN 1.030 nan 8.190 nan 0.000 0.424 60 T N 3.681 118.405 114.554 0.282 0.000 2.895 60 T HA 0.552 4.902 4.350 -0.000 0.000 0.283 60 T C -1.279 173.558 174.700 0.228 0.000 1.014 60 T CA -0.397 61.867 62.100 0.272 0.000 1.037 60 T CB 1.695 70.719 68.868 0.260 0.000 1.006 60 T HN 0.673 nan 8.240 nan 0.000 0.468 61 W N 4.042 125.254 121.300 -0.147 0.000 2.830 61 W HA 0.342 5.002 4.660 -0.000 0.000 0.335 61 W C 0.502 176.929 176.519 -0.153 0.000 1.043 61 W CA -1.429 55.731 57.345 -0.308 0.000 1.239 61 W CB 1.186 30.062 29.460 -0.974 0.000 1.378 61 W HN 0.796 nan 8.180 nan 0.000 0.456 62 D N 2.537 122.648 120.400 -0.482 0.000 2.264 62 D HA -0.018 4.622 4.640 -0.000 0.000 0.208 62 D C 1.561 177.379 176.300 -0.803 0.000 0.966 62 D CA 1.353 55.057 54.000 -0.493 0.000 0.864 62 D CB -0.144 40.451 40.800 -0.342 0.000 0.933 62 D HN 0.892 nan 8.370 nan 0.000 0.499 63 G N -0.161 107.556 108.800 -1.805 0.000 2.175 63 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 63 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 63 G C 0.147 174.384 174.900 -1.106 0.000 0.982 63 G CA 0.202 44.131 45.100 -1.951 0.000 0.641 63 G HN 0.401 nan 8.290 nan 0.000 0.527 64 S N 1.367 116.606 115.700 -0.769 0.000 2.474 64 S HA 0.671 5.141 4.470 -0.000 0.000 0.320 64 S C -0.136 174.410 174.600 -0.090 0.000 1.067 64 S CA -0.003 58.017 58.200 -0.299 0.000 1.127 64 S CB 1.612 64.680 63.200 -0.220 0.000 0.971 64 S HN 0.453 nan 8.310 nan 0.000 0.472 65 T N 1.606 116.198 114.554 0.063 0.000 2.991 65 T HA 0.247 4.597 4.350 -0.000 0.000 0.303 65 T C 1.524 176.257 174.700 0.054 0.000 1.015 65 T CA -0.822 61.351 62.100 0.120 0.000 1.007 65 T CB 1.695 70.715 68.868 0.254 0.000 1.034 65 T HN 0.565 nan 8.240 nan 0.000 0.446 66 T N 0.726 115.286 114.554 0.012 0.000 2.570 66 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 66 T C 0.899 175.595 174.700 -0.008 0.000 1.071 66 T CA 1.405 63.503 62.100 -0.003 0.000 1.172 66 T CB -0.378 68.482 68.868 -0.014 0.000 0.864 66 T HN 0.706 nan 8.240 nan 0.000 0.421 67 N N 1.925 120.606 118.700 -0.032 0.000 2.918 67 N HA 0.355 5.095 4.740 -0.000 0.000 0.270 67 N C -3.510 171.943 175.510 -0.096 0.000 1.536 67 N CA -1.645 51.377 53.050 -0.045 0.000 0.877 67 N CB 0.852 39.312 38.487 -0.044 0.000 1.190 67 N HN 0.224 nan 8.380 nan 0.000 0.492 68 P HA 0.240 nan 4.420 nan 0.000 0.268 68 P C -2.479 174.725 177.300 -0.161 0.000 1.204 68 P CA -0.613 62.348 63.100 -0.231 0.000 0.768 68 P CB 0.069 31.735 31.700 -0.057 0.000 0.842 69 P HA 0.057 nan 4.420 nan 0.000 0.264 69 P C 0.340 177.618 177.300 -0.037 0.000 1.229 69 P CA 0.323 63.362 63.100 -0.102 0.000 0.780 69 P CB 0.317 31.959 31.700 -0.097 0.000 0.808 70 K N 1.447 121.825 120.400 -0.036 0.000 2.374 70 K HA 0.151 4.471 4.320 -0.000 0.000 0.202 70 K C 0.902 177.477 176.600 -0.041 0.000 1.040 70 K CA 0.384 56.659 56.287 -0.020 0.000 1.085 70 K CB 0.371 32.870 32.500 -0.002 0.000 0.873 70 K HN 0.278 nan 8.250 nan 0.000 0.539 71 T N 0.071 114.589 114.554 -0.059 0.000 3.000 71 T HA 0.088 4.438 4.350 -0.000 0.000 0.248 71 T C 0.920 175.561 174.700 -0.098 0.000 1.034 71 T CA -0.143 61.918 62.100 -0.066 0.000 1.060 71 T CB 0.577 69.410 68.868 -0.058 0.000 0.983 71 T HN 0.121 nan 8.240 nan 0.000 0.482 72 R N 1.167 121.586 120.500 -0.136 0.000 2.623 72 R HA 0.311 4.651 4.340 -0.000 0.000 0.271 72 R C 1.380 177.539 176.300 -0.235 0.000 1.043 72 R CA 0.315 56.274 56.100 -0.235 0.000 1.083 72 R CB 0.309 30.428 30.300 -0.301 0.000 0.974 72 R HN 0.204 nan 8.270 nan 0.000 0.436 73 A N 5.228 127.875 122.820 -0.288 0.000 1.872 73 A HA 0.008 4.328 4.320 -0.000 0.000 0.214 73 A C 0.412 177.948 177.584 -0.080 0.000 1.187 73 A CA 0.962 52.921 52.037 -0.129 0.000 0.614 73 A CB -0.337 18.679 19.000 0.028 0.000 0.826 73 A HN 0.672 nan 8.150 nan 0.000 0.442 74 F N -3.971 115.944 119.950 -0.058 0.000 2.613 74 F HA 0.666 5.193 4.527 -0.000 0.000 0.342 74 F C 0.940 176.648 175.800 -0.154 0.000 1.066 74 F CA -1.363 56.579 58.000 -0.096 0.000 1.002 74 F CB 0.391 39.338 39.000 -0.089 0.000 1.319 74 F HN 0.535 nan 8.300 nan 0.000 0.495 75 G N 1.358 110.218 108.800 0.099 0.000 2.272 75 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.280 75 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.280 75 G C -0.301 174.368 174.900 -0.385 0.000 1.067 75 G CA -0.044 44.982 45.100 -0.123 0.000 0.902 75 G HN 0.792 nan 8.290 nan 0.000 0.500 76 R N -1.603 118.581 120.500 -0.527 0.000 2.888 76 R HA 0.736 5.076 4.340 -0.000 0.000 0.266 76 R C -1.125 174.577 176.300 -0.996 0.000 1.020 76 R CA -0.927 54.794 56.100 -0.632 0.000 0.963 76 R CB 1.219 31.380 30.300 -0.232 0.000 1.197 76 R HN 0.068 nan 8.270 nan 0.000 0.481 77 F N -0.289 119.141 119.950 -0.867 0.000 2.467 77 F HA 0.280 4.807 4.527 -0.000 0.000 0.336 77 F C 1.317 176.922 175.800 -0.325 0.000 1.123 77 F CA -0.413 57.114 58.000 -0.788 0.000 0.964 77 F CB 2.238 40.482 39.000 -1.260 0.000 1.136 77 F HN 0.472 nan 8.300 nan 0.000 0.447 78 T N 0.720 115.259 114.554 -0.025 0.000 2.942 78 T HA -0.034 4.316 4.350 -0.000 0.000 0.265 78 T C -0.148 174.716 174.700 0.273 0.000 1.062 78 T CA 1.330 63.491 62.100 0.102 0.000 1.139 78 T CB -0.338 68.609 68.868 0.132 0.000 0.883 78 T HN 0.729 nan 8.240 nan 0.000 0.468 79 H N -1.419 117.902 119.070 0.419 0.000 2.942 79 H HA 0.779 5.335 4.556 -0.000 0.000 0.316 79 H C -0.981 174.697 175.328 0.584 0.000 1.323 79 H CA -1.211 55.086 56.048 0.414 0.000 1.144 79 H CB 0.671 30.576 29.762 0.239 0.000 1.866 79 H HN -0.001 nan 8.280 nan 0.000 0.545 80 A N -0.002 123.161 122.820 0.571 0.000 2.293 80 A HA 0.837 5.157 4.320 -0.000 0.000 0.302 80 A C 0.651 178.457 177.584 0.370 0.000 1.119 80 A CA 0.173 52.427 52.037 0.362 0.000 0.823 80 A CB 0.002 18.943 19.000 -0.099 0.000 1.097 80 A HN 1.668 nan 8.150 nan 0.000 0.491 81 G N -0.605 108.351 108.800 0.260 0.000 2.339 81 G HA2 0.407 4.367 3.960 -0.000 0.000 0.275 81 G HA3 0.407 4.367 3.960 -0.000 0.000 0.275 81 G C -0.826 174.168 174.900 0.157 0.000 1.323 81 G CA -0.160 45.021 45.100 0.135 0.000 0.927 81 G HN 1.125 nan 8.290 nan 0.000 0.486 82 S N -0.194 115.537 115.700 0.052 0.000 2.449 82 S HA 0.713 5.183 4.470 -0.000 0.000 0.310 82 S C -1.443 173.162 174.600 0.009 0.000 1.096 82 S CA -0.265 58.016 58.200 0.135 0.000 1.095 82 S CB 0.885 64.169 63.200 0.141 0.000 1.007 82 S HN 0.451 nan 8.310 nan 0.000 0.474 83 Y N 1.260 121.642 120.300 0.136 0.000 2.335 83 Y HA 0.604 5.154 4.550 -0.000 0.000 0.338 83 Y C 0.768 176.664 175.900 -0.008 0.000 0.977 83 Y CA -0.554 57.585 58.100 0.065 0.000 1.114 83 Y CB 1.849 40.331 38.460 0.036 0.000 1.182 83 Y HN 0.513 nan 8.280 nan 0.000 0.463 84 T N 1.090 115.694 114.554 0.083 0.000 2.888 84 T HA 0.796 5.146 4.350 -0.000 0.000 0.288 84 T C -1.151 173.528 174.700 -0.034 0.000 1.063 84 T CA -0.401 61.712 62.100 0.021 0.000 1.010 84 T CB 1.827 70.716 68.868 0.035 0.000 1.214 84 T HN 0.687 nan 8.240 nan 0.000 0.533 85 T N 0.931 115.467 114.554 -0.029 0.000 3.094 85 T HA 0.439 4.789 4.350 -0.000 0.000 0.373 85 T C -0.996 173.700 174.700 -0.008 0.000 1.806 85 T CA -0.285 61.790 62.100 -0.042 0.000 1.107 85 T CB 0.643 69.447 68.868 -0.106 0.000 1.632 85 T HN 0.981 nan 8.240 nan 0.000 0.488 86 T N 3.033 117.578 114.554 -0.015 0.000 2.913 86 T HA 0.684 5.034 4.350 -0.000 0.000 0.297 86 T C 0.168 174.825 174.700 -0.073 0.000 1.029 86 T CA -0.790 61.306 62.100 -0.008 0.000 1.104 86 T CB 0.346 69.178 68.868 -0.059 0.000 0.964 86 T HN 0.479 nan 8.240 nan 0.000 0.532 87 I N 1.477 122.042 120.570 -0.008 0.000 2.693 87 I HA 0.605 4.775 4.170 -0.000 0.000 0.303 87 I C 0.464 176.573 176.117 -0.014 0.000 1.025 87 I CA -0.522 60.758 61.300 -0.033 0.000 1.086 87 I CB 1.947 39.962 38.000 0.024 0.000 1.268 87 I HN 0.867 nan 8.210 nan 0.000 0.440 88 T N 4.241 118.727 114.554 -0.112 0.000 2.883 88 T HA 0.392 4.742 4.350 -0.000 0.000 0.301 88 T C -0.505 174.032 174.700 -0.271 0.000 1.158 88 T CA -0.481 61.520 62.100 -0.165 0.000 1.007 88 T CB 0.924 69.828 68.868 0.060 0.000 1.186 88 T HN 0.620 nan 8.240 nan 0.000 0.499 89 R N 1.406 121.486 120.500 -0.699 0.000 3.158 89 R HA -0.133 4.206 4.340 -0.000 0.000 0.244 89 R C -2.323 173.943 176.300 -0.057 0.000 0.900 89 R CA 0.467 56.393 56.100 -0.291 0.000 0.618 89 R CB -2.073 28.230 30.300 0.005 0.000 1.061 89 R HN 0.583 nan 8.270 nan 0.000 0.471 90 P HA -0.135 nan 4.420 nan 0.000 0.216 90 P C 1.278 178.613 177.300 0.058 0.000 1.150 90 P CA 1.328 64.440 63.100 0.019 0.000 0.843 90 P CB 0.161 31.865 31.700 0.006 0.000 0.787 91 T N -0.241 114.329 114.554 0.025 0.000 2.777 91 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 91 T C 1.639 176.317 174.700 -0.036 0.000 1.040 91 T CA 0.922 63.031 62.100 0.016 0.000 1.141 91 T CB -0.861 68.024 68.868 0.028 0.000 0.868 91 T HN 0.027 nan 8.240 nan 0.000 0.444 92 L N 0.339 121.496 121.223 -0.110 0.000 2.093 92 L HA 0.129 4.469 4.340 -0.000 0.000 0.208 92 L C 1.205 177.831 176.870 -0.407 0.000 1.085 92 L CA 1.737 56.391 54.840 -0.311 0.000 0.755 92 L CB -0.623 41.130 42.059 -0.510 0.000 0.904 92 L HN 0.184 nan 8.230 nan 0.000 0.435 93 F N -0.978 118.952 119.950 -0.034 0.000 2.664 93 F HA 0.233 4.760 4.527 -0.000 0.000 0.303 93 F C 2.102 177.921 175.800 0.032 0.000 1.092 93 F CA 0.058 58.062 58.000 0.006 0.000 1.305 93 F CB -0.388 38.626 39.000 0.023 0.000 1.054 93 F HN 0.040 nan 8.300 nan 0.000 0.565 94 R N 1.014 121.586 120.500 0.119 0.000 2.162 94 R HA -0.241 4.099 4.340 -0.000 0.000 0.245 94 R C 1.968 178.299 176.300 0.052 0.000 1.129 94 R CA 2.595 58.736 56.100 0.068 0.000 0.940 94 R CB -1.099 29.220 30.300 0.031 0.000 0.875 94 R HN 0.141 nan 8.270 nan 0.000 0.437 95 S N -0.615 115.117 115.700 0.054 0.000 2.353 95 S HA -0.192 4.278 4.470 -0.000 0.000 0.222 95 S C 1.670 176.287 174.600 0.028 0.000 1.035 95 S CA 1.367 59.588 58.200 0.035 0.000 1.025 95 S CB -0.817 62.408 63.200 0.042 0.000 0.902 95 S HN 0.534 nan 8.310 nan 0.000 0.440 96 Y N 2.372 122.645 120.300 -0.045 0.000 2.097 96 Y HA -0.149 4.401 4.550 -0.000 0.000 0.282 96 Y C 1.993 177.764 175.900 -0.215 0.000 1.152 96 Y CA 1.376 59.411 58.100 -0.108 0.000 1.136 96 Y CB -0.601 37.854 38.460 -0.008 0.000 0.975 96 Y HN 0.129 nan 8.280 nan 0.000 0.498 97 L N 0.170 121.310 121.223 -0.138 0.000 2.042 97 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 97 L C 2.357 179.031 176.870 -0.326 0.000 1.076 97 L CA 1.831 56.481 54.840 -0.317 0.000 0.749 97 L CB -0.775 41.258 42.059 -0.043 0.000 0.893 97 L HN 0.339 nan 8.230 nan 0.000 0.432 98 N N 0.295 118.886 118.700 -0.181 0.000 2.028 98 N HA -0.275 4.465 4.740 -0.000 0.000 0.194 98 N C 1.848 177.242 175.510 -0.193 0.000 1.050 98 N CA 1.790 54.752 53.050 -0.146 0.000 0.848 98 N CB -0.192 38.249 38.487 -0.077 0.000 1.038 98 N HN 0.250 nan 8.380 nan 0.000 0.423 99 E N -0.514 119.567 120.200 -0.198 0.000 2.136 99 E HA -0.314 4.036 4.350 -0.000 0.000 0.202 99 E C 1.586 178.018 176.600 -0.279 0.000 1.019 99 E CA 1.419 57.702 56.400 -0.196 0.000 0.819 99 E CB -0.069 29.516 29.700 -0.192 0.000 0.739 99 E HN 0.494 nan 8.360 nan 0.000 0.458 100 Q N 0.149 119.630 119.800 -0.532 0.000 2.049 100 Q HA -0.062 4.278 4.340 -0.000 0.000 0.198 100 Q C 2.556 178.327 176.000 -0.383 0.000 0.971 100 Q CA 0.829 56.237 55.803 -0.658 0.000 0.833 100 Q CB -0.316 27.534 28.738 -1.480 0.000 0.896 100 Q HN 0.415 nan 8.270 nan 0.000 0.434 101 L N 0.373 121.402 121.223 -0.322 0.000 2.083 101 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 101 L C 2.404 179.279 176.870 0.009 0.000 1.083 101 L CA 1.263 56.061 54.840 -0.071 0.000 0.752 101 L CB -0.645 41.374 42.059 -0.066 0.000 0.899 101 L HN 0.221 nan 8.230 nan 0.000 0.433 102 T N 0.409 114.944 114.554 -0.031 0.000 2.684 102 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 102 T C 1.954 176.725 174.700 0.118 0.000 1.036 102 T CA 1.357 63.493 62.100 0.059 0.000 1.148 102 T CB -0.289 68.588 68.868 0.015 0.000 0.863 102 T HN 0.180 nan 8.240 nan 0.000 0.436 103 L N 0.476 121.729 121.223 0.051 0.000 1.971 103 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 103 L C 2.509 179.464 176.870 0.142 0.000 1.072 103 L CA 1.451 56.336 54.840 0.076 0.000 0.758 103 L CB -0.685 41.397 42.059 0.038 0.000 0.889 103 L HN 0.272 nan 8.230 nan 0.000 0.433 104 L N -1.853 119.434 121.223 0.108 0.000 2.265 104 L HA -0.241 4.099 4.340 -0.000 0.000 0.215 104 L C 2.484 179.550 176.870 0.326 0.000 1.117 104 L CA 0.879 55.823 54.840 0.173 0.000 0.782 104 L CB -0.614 41.495 42.059 0.083 0.000 0.914 104 L HN 0.261 nan 8.230 nan 0.000 0.441 105 Y N 0.728 121.113 120.300 0.142 0.000 2.243 105 Y HA -0.145 4.405 4.550 -0.000 0.000 0.293 105 Y C 2.499 178.484 175.900 0.142 0.000 1.124 105 Y CA 1.235 59.420 58.100 0.141 0.000 1.159 105 Y CB 0.013 38.528 38.460 0.091 0.000 1.008 105 Y HN 0.189 nan 8.280 nan 0.000 0.527 106 Q N -0.291 119.587 119.800 0.130 0.000 1.994 106 Q HA -0.100 4.240 4.340 -0.000 0.000 0.197 106 Q C 1.732 177.750 176.000 0.030 0.000 0.981 106 Q CA 0.941 56.751 55.803 0.011 0.000 0.838 106 Q CB -0.363 28.412 28.738 0.063 0.000 0.904 106 Q HN 0.309 nan 8.270 nan 0.000 0.460 107 D N -0.029 120.404 120.400 0.055 0.000 2.254 107 D HA -0.195 4.445 4.640 -0.000 0.000 0.201 107 D C 1.140 177.362 176.300 -0.130 0.000 0.998 107 D CA 1.639 55.619 54.000 -0.033 0.000 0.885 107 D CB -0.031 40.763 40.800 -0.011 0.000 0.915 107 D HN 0.348 nan 8.370 nan 0.000 0.460 108 Y N -0.995 119.336 120.300 0.051 0.000 2.471 108 Y HA 0.318 4.868 4.550 -0.000 0.000 0.249 108 Y C 1.293 177.331 175.900 0.231 0.000 1.116 108 Y CA 0.003 58.177 58.100 0.122 0.000 1.240 108 Y CB 0.862 39.272 38.460 -0.084 0.000 1.251 108 Y HN -0.062 nan 8.280 nan 0.000 0.527 109 G N 1.894 110.823 108.800 0.216 0.000 2.354 109 G HA2 -0.036 3.923 3.960 -0.000 0.000 0.278 109 G HA3 -0.036 3.923 3.960 -0.000 0.000 0.278 109 G C 0.008 175.048 174.900 0.235 0.000 0.953 109 G CA 0.235 45.384 45.100 0.081 0.000 1.346 109 G HN 0.589 nan 8.290 nan 0.000 0.467 110 A N 1.123 124.120 122.820 0.295 0.000 2.294 110 A HA 0.759 5.079 4.320 -0.000 0.000 0.330 110 A C 0.045 177.865 177.584 0.393 0.000 1.133 110 A CA -0.496 51.760 52.037 0.366 0.000 0.836 110 A CB 0.939 20.167 19.000 0.380 0.000 1.190 110 A HN 1.268 nan 8.150 nan 0.000 0.492 111 H N 1.299 120.512 119.070 0.238 0.000 2.761 111 H HA 0.531 5.087 4.556 -0.000 0.000 0.284 111 H C -0.578 174.866 175.328 0.194 0.000 1.105 111 H CA -0.382 55.789 56.048 0.205 0.000 1.352 111 H CB -0.250 29.597 29.762 0.142 0.000 1.423 111 H HN 0.440 nan 8.280 nan 0.000 0.464 112 I N 4.159 124.654 120.570 -0.125 0.000 2.440 112 I HA 0.279 4.449 4.170 -0.000 0.000 0.294 112 I C -0.154 175.771 176.117 -0.320 0.000 0.995 112 I CA -0.511 60.704 61.300 -0.141 0.000 1.306 112 I CB 1.347 39.319 38.000 -0.047 0.000 1.407 112 I HN 0.668 nan 8.210 nan 0.000 0.501 113 S N 4.500 120.092 115.700 -0.179 0.000 2.566 113 S HA 0.671 5.141 4.470 -0.000 0.000 0.273 113 S C -1.067 173.519 174.600 -0.023 0.000 1.157 113 S CA -0.798 57.328 58.200 -0.123 0.000 0.938 113 S CB 1.642 64.768 63.200 -0.123 0.000 1.087 113 S HN 0.260 nan 8.310 nan 0.000 0.474 114 V N 3.934 123.849 119.914 0.002 0.000 2.555 114 V HA 0.874 4.994 4.120 -0.000 0.000 0.302 114 V C -0.830 175.291 176.094 0.045 0.000 1.038 114 V CA -0.326 61.994 62.300 0.033 0.000 0.887 114 V CB 1.388 33.234 31.823 0.039 0.000 0.991 114 V HN 1.057 nan 8.190 nan 0.000 0.434 115 Q N 3.809 123.644 119.800 0.059 0.000 2.594 115 Q HA 0.441 4.780 4.340 -0.000 0.000 0.278 115 Q C -3.337 172.707 176.000 0.073 0.000 0.961 115 Q CA -2.135 53.704 55.803 0.060 0.000 0.844 115 Q CB 1.285 30.052 28.738 0.048 0.000 1.475 115 Q HN 0.373 nan 8.270 nan 0.000 0.389 116 P HA -0.009 nan 4.420 nan 0.000 0.263 116 P C -0.082 177.260 177.300 0.069 0.000 1.175 116 P CA 0.804 63.951 63.100 0.079 0.000 0.761 116 P CB 0.569 32.301 31.700 0.053 0.000 0.794 117 S N 2.881 118.641 115.700 0.099 0.000 2.666 117 S HA 0.239 4.709 4.470 -0.000 0.000 0.279 117 S C 0.629 175.224 174.600 -0.008 0.000 1.149 117 S CA -0.329 57.910 58.200 0.065 0.000 1.020 117 S CB 0.644 63.939 63.200 0.158 0.000 1.127 117 S HN 0.322 nan 8.310 nan 0.000 0.537 118 Q N 0.223 119.922 119.800 -0.167 0.000 2.198 118 Q HA 0.258 4.598 4.340 -0.000 0.000 0.209 118 Q C -0.706 175.121 176.000 -0.288 0.000 0.848 118 Q CA 0.101 55.760 55.803 -0.240 0.000 0.974 118 Q CB 0.030 28.581 28.738 -0.312 0.000 1.115 118 Q HN 0.631 nan 8.270 nan 0.000 0.494 119 H N 0.616 119.781 119.070 0.158 0.000 2.511 119 H HA 0.357 4.913 4.556 -0.000 0.000 0.328 119 H C -0.166 175.342 175.328 0.301 0.000 1.044 119 H CA -0.233 55.950 56.048 0.225 0.000 1.212 119 H CB 1.142 31.050 29.762 0.242 0.000 1.428 119 H HN 0.043 nan 8.280 nan 0.000 0.483 120 E N 2.880 123.295 120.200 0.357 0.000 2.301 120 E HA 0.249 4.599 4.350 -0.000 0.000 0.275 120 E C 0.232 176.963 176.600 0.218 0.000 1.030 120 E CA -0.628 55.932 56.400 0.266 0.000 0.852 120 E CB 1.755 31.615 29.700 0.268 0.000 1.060 120 E HN 0.447 nan 8.360 nan 0.000 0.401 121 I N 4.536 125.068 120.570 -0.065 0.000 2.436 121 I HA 0.088 4.258 4.170 -0.000 0.000 0.289 121 I C -2.113 174.024 176.117 0.033 0.000 1.083 121 I CA -1.944 59.215 61.300 -0.235 0.000 1.372 121 I CB 0.092 37.802 38.000 -0.484 0.000 1.408 121 I HN 0.129 nan 8.210 nan 0.000 0.516 122 P HA -0.111 nan 4.420 nan 0.000 0.262 122 P C 0.337 177.515 177.300 -0.203 0.000 1.182 122 P CA 0.124 63.191 63.100 -0.055 0.000 0.761 122 P CB 0.230 31.820 31.700 -0.183 0.000 0.795 123 Y N 5.507 125.706 120.300 -0.167 0.000 2.181 123 Y HA -0.177 4.373 4.550 -0.000 0.000 0.284 123 Y C -1.083 174.671 175.900 -0.242 0.000 1.179 123 Y CA 1.466 59.429 58.100 -0.228 0.000 1.179 123 Y CB -3.008 35.287 38.460 -0.274 0.000 0.973 123 Y HN 0.349 nan 8.280 nan 0.000 0.519 124 P HA -0.178 nan 4.420 nan 0.000 0.217 124 P C 0.779 177.884 177.300 -0.325 0.000 1.148 124 P CA 1.845 64.558 63.100 -0.645 0.000 0.828 124 P CB -0.314 30.865 31.700 -0.869 0.000 0.783 125 Y N -1.402 118.832 120.300 -0.110 0.000 2.578 125 Y HA 0.013 4.563 4.550 -0.000 0.000 0.297 125 Y C 1.905 177.792 175.900 -0.023 0.000 1.176 125 Y CA -0.039 58.043 58.100 -0.030 0.000 1.315 125 Y CB -1.174 37.316 38.460 0.050 0.000 1.031 125 Y HN -0.069 nan 8.280 nan 0.000 0.524 126 V N -3.525 116.415 119.914 0.044 0.000 3.661 126 V HA 0.243 4.362 4.120 -0.000 0.000 0.271 126 V C 0.628 176.710 176.094 -0.020 0.000 1.315 126 V CA -0.163 62.132 62.300 -0.009 0.000 1.072 126 V CB -0.139 31.635 31.823 -0.083 0.000 0.830 126 V HN 0.055 nan 8.190 nan 0.000 0.443 127 I N 2.368 122.929 120.570 -0.015 0.000 2.329 127 I HA 0.207 4.377 4.170 -0.000 0.000 0.295 127 I C 1.039 177.150 176.117 -0.009 0.000 1.109 127 I CA 0.138 61.427 61.300 -0.018 0.000 1.297 127 I CB 0.808 38.804 38.000 -0.007 0.000 1.433 127 I HN 0.146 nan 8.210 nan 0.000 0.509 128 D N 4.524 124.918 120.400 -0.011 0.000 2.096 128 D HA -0.051 4.589 4.640 -0.000 0.000 0.207 128 D C 1.968 178.261 176.300 -0.010 0.000 0.976 128 D CA 1.695 55.691 54.000 -0.007 0.000 0.875 128 D CB -0.246 40.548 40.800 -0.010 0.000 1.009 128 D HN 0.589 nan 8.370 nan 0.000 0.449 129 G N -0.459 108.333 108.800 -0.013 0.000 2.955 129 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.210 129 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.210 129 G C 0.495 175.388 174.900 -0.010 0.000 1.364 129 G CA 1.228 46.320 45.100 -0.012 0.000 0.788 129 G HN 0.431 nan 8.290 nan 0.000 0.715 130 S N -0.762 114.931 115.700 -0.011 0.000 2.541 130 S HA 0.478 4.948 4.470 -0.000 0.000 0.280 130 S C -0.998 173.594 174.600 -0.013 0.000 1.112 130 S CA -0.613 57.580 58.200 -0.011 0.000 0.925 130 S CB 1.570 64.765 63.200 -0.008 0.000 1.067 130 S HN 0.378 nan 8.310 nan 0.000 0.479 131 E N 2.230 122.421 120.200 -0.015 0.000 2.760 131 E HA -0.015 4.335 4.350 -0.000 0.000 0.268 131 E C -0.319 176.276 176.600 -0.008 0.000 0.935 131 E CA 0.685 57.076 56.400 -0.015 0.000 0.960 131 E CB 0.037 29.724 29.700 -0.022 0.000 0.931 131 E HN 0.481 nan 8.360 nan 0.000 0.483 132 L N 2.635 123.859 121.223 0.000 0.000 2.453 132 L HA 0.071 4.411 4.340 -0.000 0.000 0.272 132 L C 0.666 177.535 176.870 -0.001 0.000 1.182 132 L CA 0.295 55.132 54.840 -0.005 0.000 0.858 132 L CB 0.401 42.453 42.059 -0.012 0.000 1.120 132 L HN 0.594 nan 8.230 nan 0.000 0.474 133 T N 3.028 117.579 114.554 -0.005 0.000 3.308 133 T HA 0.287 4.637 4.350 -0.000 0.000 0.270 133 T C 0.291 174.990 174.700 -0.001 0.000 0.992 133 T CA -0.585 61.514 62.100 -0.002 0.000 0.931 133 T CB -0.247 68.619 68.868 -0.004 0.000 1.142 133 T HN 0.119 nan 8.240 nan 0.000 0.525 134 L N 2.829 124.052 121.223 -0.000 0.000 2.473 134 L HA 0.194 4.534 4.340 -0.000 0.000 0.280 134 L C 1.053 177.929 176.870 0.009 0.000 1.266 134 L CA 0.127 54.969 54.840 0.004 0.000 0.824 134 L CB 0.081 42.146 42.059 0.010 0.000 1.091 134 L HN 0.438 nan 8.230 nan 0.000 0.534 135 D N -0.830 119.577 120.400 0.012 0.000 2.440 135 D HA 0.201 4.841 4.640 -0.000 0.000 0.269 135 D C 1.039 177.353 176.300 0.022 0.000 1.249 135 D CA -0.488 53.520 54.000 0.014 0.000 1.055 135 D CB 0.472 41.279 40.800 0.011 0.000 1.104 135 D HN 0.188 nan 8.370 nan 0.000 0.561 136 R N 0.087 120.600 120.500 0.021 0.000 2.103 136 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 136 R C 0.990 177.311 176.300 0.036 0.000 1.132 136 R CA 0.969 57.084 56.100 0.024 0.000 0.925 136 R CB -1.555 28.757 30.300 0.020 0.000 0.842 136 R HN 0.523 nan 8.270 nan 0.000 0.430 140 A N 1.693 124.526 122.820 0.022 0.000 1.927 140 A HA 0.022 4.342 4.320 -0.000 0.000 0.220 140 A C 2.120 179.669 177.584 -0.057 0.000 1.185 140 A CA 2.563 54.593 52.037 -0.010 0.000 0.639 140 A CB -1.497 17.505 19.000 0.003 0.000 0.820 140 A HN 0.691 nan 8.150 nan 0.000 0.451 141 G N -0.666 108.151 108.800 0.028 0.000 2.422 141 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.218 141 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.218 141 G C 1.575 176.378 174.900 -0.162 0.000 1.146 141 G CA 0.943 46.062 45.100 0.033 0.000 0.769 141 G HN 0.430 nan 8.290 nan 0.000 0.547 142 L N 0.936 122.066 121.223 -0.155 0.000 1.976 142 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 142 L C 3.392 180.197 176.870 -0.108 0.000 1.071 142 L CA 1.951 56.627 54.840 -0.274 0.000 0.746 142 L CB -0.877 40.854 42.059 -0.546 0.000 0.890 142 L HN 0.446 nan 8.230 nan 0.000 0.432 143 T N -2.842 111.695 114.554 -0.028 0.000 2.977 143 T HA -0.236 4.114 4.350 -0.000 0.000 0.271 143 T C 1.845 176.529 174.700 -0.027 0.000 1.105 143 T CA 1.048 63.204 62.100 0.093 0.000 1.116 143 T CB -0.254 68.664 68.868 0.084 0.000 0.878 143 T HN 0.290 nan 8.240 nan 0.000 0.509 144 R N -0.630 119.753 120.500 -0.194 0.000 2.090 144 R HA 0.095 4.435 4.340 -0.000 0.000 0.219 144 R C 1.134 177.158 176.300 -0.459 0.000 1.100 144 R CA 0.663 56.518 56.100 -0.407 0.000 0.991 144 R CB 0.074 29.939 30.300 -0.724 0.000 0.893 144 R HN 0.491 nan 8.270 nan 0.000 0.443 145 Y N -1.351 118.876 120.300 -0.121 0.000 2.458 145 Y HA 0.318 4.868 4.550 -0.000 0.000 0.256 145 Y C -0.342 175.262 175.900 -0.493 0.000 1.159 145 Y CA -0.392 57.527 58.100 -0.302 0.000 1.261 145 Y CB 0.431 38.621 38.460 -0.451 0.000 1.119 145 Y HN -0.124 nan 8.280 nan 0.000 0.524 146 F N 0.042 119.987 119.950 -0.009 0.000 2.598 146 F HA 0.539 5.066 4.527 -0.000 0.000 0.327 146 F C -2.292 173.579 175.800 0.118 0.000 1.057 146 F CA -3.196 54.819 58.000 0.025 0.000 0.957 146 F CB 0.966 39.869 39.000 -0.161 0.000 1.278 146 F HN -0.317 nan 8.300 nan 0.000 0.484 147 P HA 0.074 nan 4.420 nan 0.000 0.264 147 P C -0.300 177.132 177.300 0.220 0.000 1.236 147 P CA 0.121 63.373 63.100 0.254 0.000 0.811 147 P CB 0.101 31.942 31.700 0.236 0.000 0.840 148 T N 0.376 115.023 114.554 0.155 0.000 2.910 148 T HA 0.531 4.881 4.350 -0.000 0.000 0.279 148 T C 0.123 174.822 174.700 -0.002 0.000 0.989 148 T CA -0.616 61.510 62.100 0.043 0.000 0.968 148 T CB 0.564 69.478 68.868 0.075 0.000 1.135 148 T HN 0.268 nan 8.240 nan 0.000 0.562 149 T N 0.655 115.173 114.554 -0.061 0.000 2.856 149 T HA 0.546 4.896 4.350 -0.000 0.000 0.292 149 T C -0.414 174.299 174.700 0.020 0.000 0.980 149 T CA -0.825 61.274 62.100 -0.001 0.000 1.091 149 T CB 0.723 69.589 68.868 -0.004 0.000 0.936 149 T HN 0.668 nan 8.240 nan 0.000 0.503 150 E N 1.900 122.119 120.200 0.033 0.000 2.281 150 E HA 0.569 4.918 4.350 -0.000 0.000 0.262 150 E C -0.400 176.197 176.600 -0.006 0.000 0.933 150 E CA -0.904 55.508 56.400 0.020 0.000 0.809 150 E CB 1.745 31.466 29.700 0.035 0.000 1.242 150 E HN 0.399 nan 8.360 nan 0.000 0.418 169 S N 1.303 117.032 115.700 0.048 0.000 2.526 169 S HA 0.589 5.058 4.470 -0.000 0.000 0.293 169 S C -2.763 171.848 174.600 0.017 0.000 1.092 169 S CA -1.216 56.967 58.200 -0.030 0.000 0.980 169 S CB 2.412 65.437 63.200 -0.292 0.000 1.048 169 S HN -0.238 nan 8.310 nan 0.000 0.483 170 P HA 0.070 nan 4.420 nan 0.000 0.263 170 P C 0.385 177.680 177.300 -0.008 0.000 1.195 170 P CA -0.160 62.935 63.100 -0.009 0.000 0.762 170 P CB 0.417 32.088 31.700 -0.048 0.000 0.799 171 L N 3.773 124.915 121.223 -0.135 0.000 2.249 171 L HA 0.092 4.432 4.340 -0.000 0.000 0.207 171 L C 0.622 177.114 176.870 -0.629 0.000 1.090 171 L CA 1.511 56.117 54.840 -0.390 0.000 0.802 171 L CB -0.276 41.472 42.059 -0.518 0.000 0.947 171 L HN 0.407 nan 8.230 nan 0.000 0.453 172 S N -3.593 111.866 115.700 -0.403 0.000 2.697 172 S HA 0.352 4.822 4.470 -0.000 0.000 0.289 172 S C 0.758 175.165 174.600 -0.322 0.000 1.149 172 S CA -0.635 57.400 58.200 -0.276 0.000 0.850 172 S CB 0.451 63.658 63.200 0.010 0.000 1.151 172 S HN 0.214 nan 8.310 nan 0.000 0.491 173 H N -0.281 118.661 119.070 -0.213 0.000 2.423 173 H HA 0.208 4.764 4.556 -0.000 0.000 0.297 173 H C -0.473 174.385 175.328 -0.783 0.000 1.075 173 H CA 1.227 56.943 56.048 -0.553 0.000 1.342 173 H CB -0.055 29.219 29.762 -0.814 0.000 1.395 173 H HN 0.482 nan 8.280 nan 0.000 0.530 174 F N 1.307 121.280 119.950 0.039 0.000 2.565 174 F HA 0.198 4.725 4.527 -0.000 0.000 0.313 174 F C 0.275 176.008 175.800 -0.111 0.000 1.091 174 F CA -1.454 56.520 58.000 -0.045 0.000 0.915 174 F CB 1.501 40.454 39.000 -0.079 0.000 1.208 174 F HN -0.057 nan 8.300 nan 0.000 0.453 175 D N 1.572 121.997 120.400 0.041 0.000 2.340 175 D HA 0.360 5.000 4.640 -0.000 0.000 0.251 175 D C 1.006 177.198 176.300 -0.181 0.000 1.080 175 D CA -0.181 53.762 54.000 -0.096 0.000 0.971 175 D CB 1.756 42.471 40.800 -0.142 0.000 1.137 175 D HN 0.623 nan 8.370 nan 0.000 0.475 176 A N 2.320 124.939 122.820 -0.335 0.000 1.909 176 A HA -0.318 4.002 4.320 -0.000 0.000 0.221 176 A C 2.246 179.540 177.584 -0.484 0.000 1.223 176 A CA 1.989 53.683 52.037 -0.573 0.000 0.658 176 A CB -0.679 17.569 19.000 -1.254 0.000 0.831 176 A HN 0.735 nan 8.150 nan 0.000 0.462 177 R N -1.574 118.690 120.500 -0.393 0.000 2.081 177 R HA -0.145 4.194 4.340 -0.000 0.000 0.235 177 R C 2.453 178.710 176.300 -0.071 0.000 1.131 177 R CA 1.525 57.560 56.100 -0.108 0.000 0.960 177 R CB -0.344 29.948 30.300 -0.013 0.000 0.856 177 R HN 0.524 nan 8.270 nan 0.000 0.436 178 R N 1.218 121.667 120.500 -0.085 0.000 2.081 178 R HA -0.091 4.248 4.340 -0.000 0.000 0.235 178 R C 1.945 178.222 176.300 -0.037 0.000 1.131 178 R CA 1.463 57.546 56.100 -0.029 0.000 0.960 178 R CB -0.728 29.597 30.300 0.041 0.000 0.856 178 R HN 0.043 nan 8.270 nan 0.000 0.436 179 V N 1.063 120.910 119.914 -0.112 0.000 2.358 179 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 179 V C 1.747 177.750 176.094 -0.152 0.000 1.047 179 V CA 2.169 64.381 62.300 -0.146 0.000 1.035 179 V CB -0.571 31.160 31.823 -0.155 0.000 0.658 179 V HN 0.313 nan 8.190 nan 0.000 0.452 180 D N -0.422 119.830 120.400 -0.247 0.000 2.117 180 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 180 D C 1.896 177.866 176.300 -0.550 0.000 0.987 180 D CA 1.244 54.922 54.000 -0.538 0.000 0.829 180 D CB -0.298 39.868 40.800 -1.057 0.000 0.961 180 D HN 0.421 nan 8.370 nan 0.000 0.460 181 F N 1.758 121.437 119.950 -0.451 0.000 2.065 181 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 181 F C 2.450 178.174 175.800 -0.127 0.000 1.112 181 F CA 1.656 59.583 58.000 -0.123 0.000 1.212 181 F CB -0.279 38.728 39.000 0.013 0.000 0.975 181 F HN -0.158 nan 8.300 nan 0.000 0.476 182 S N 0.635 116.347 115.700 0.021 0.000 2.402 182 S HA -0.082 4.388 4.470 -0.000 0.000 0.229 182 S C 2.089 176.548 174.600 -0.236 0.000 1.021 182 S CA 1.158 59.322 58.200 -0.060 0.000 0.974 182 S CB -0.444 62.808 63.200 0.087 0.000 0.800 182 S HN 0.369 nan 8.310 nan 0.000 0.484 183 L N 0.990 122.089 121.223 -0.207 0.000 2.083 183 L HA -0.118 4.221 4.340 -0.000 0.000 0.209 183 L C 2.737 179.480 176.870 -0.212 0.000 1.083 183 L CA 1.088 55.803 54.840 -0.208 0.000 0.752 183 L CB -0.663 41.301 42.059 -0.159 0.000 0.899 183 L HN 0.321 nan 8.230 nan 0.000 0.433 184 A N 0.153 122.836 122.820 -0.227 0.000 1.855 184 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 184 A C 2.315 179.726 177.584 -0.289 0.000 1.191 184 A CA 1.533 53.453 52.037 -0.194 0.000 0.613 184 A CB -0.405 18.521 19.000 -0.123 0.000 0.829 184 A HN 0.212 nan 8.150 nan 0.000 0.442 185 R N -0.365 119.842 120.500 -0.488 0.000 2.091 185 R HA 0.007 4.347 4.340 -0.000 0.000 0.238 185 R C 2.082 178.211 176.300 -0.285 0.000 1.136 185 R CA 1.151 56.889 56.100 -0.602 0.000 0.959 185 R CB -0.797 28.814 30.300 -1.147 0.000 0.856 185 R HN 0.565 nan 8.270 nan 0.000 0.437 186 L N 0.025 121.112 121.223 -0.227 0.000 2.012 186 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 186 L C 2.597 179.482 176.870 0.025 0.000 1.073 186 L CA 1.722 56.526 54.840 -0.059 0.000 0.748 186 L CB -0.299 41.615 42.059 -0.242 0.000 0.891 186 L HN 0.232 nan 8.230 nan 0.000 0.431 187 R N -1.030 119.445 120.500 -0.043 0.000 2.070 187 R HA -0.263 4.077 4.340 -0.000 0.000 0.233 187 R C 2.421 178.718 176.300 -0.005 0.000 1.137 187 R CA 1.971 58.068 56.100 -0.006 0.000 0.945 187 R CB -0.389 29.888 30.300 -0.038 0.000 0.845 187 R HN 0.386 nan 8.270 nan 0.000 0.430 188 H N -0.649 118.331 119.070 -0.150 0.000 2.265 188 H HA -0.205 4.351 4.556 -0.000 0.000 0.295 188 H C 1.594 176.894 175.328 -0.046 0.000 1.084 188 H CA 2.548 58.498 56.048 -0.163 0.000 1.261 188 H CB -0.451 29.079 29.762 -0.386 0.000 1.360 188 H HN 0.289 nan 8.280 nan 0.000 0.487 189 Y N -0.494 119.782 120.300 -0.041 0.000 2.274 189 Y HA -0.114 4.436 4.550 -0.000 0.000 0.290 189 Y C 2.919 178.776 175.900 -0.071 0.000 1.145 189 Y CA 1.639 59.698 58.100 -0.069 0.000 1.203 189 Y CB -0.640 37.828 38.460 0.013 0.000 0.984 189 Y HN 0.286 nan 8.280 nan 0.000 0.533 190 T N -1.905 112.693 114.554 0.073 0.000 3.009 190 T HA 0.164 4.514 4.350 -0.000 0.000 0.258 190 T C 1.549 175.961 174.700 -0.479 0.000 1.063 190 T CA 0.994 63.047 62.100 -0.078 0.000 1.139 190 T CB -0.533 68.443 68.868 0.179 0.000 0.890 190 T HN 0.520 nan 8.240 nan 0.000 0.471 191 G N 1.752 110.169 108.800 -0.639 0.000 2.176 191 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.252 191 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.252 191 G C 0.195 174.795 174.900 -0.500 0.000 1.024 191 G CA 0.478 44.887 45.100 -1.151 0.000 0.755 191 G HN 0.561 nan 8.290 nan 0.000 0.507 192 T N 0.037 114.464 114.554 -0.212 0.000 2.883 192 T HA 0.612 4.962 4.350 -0.000 0.000 0.301 192 T C -2.994 171.736 174.700 0.051 0.000 1.158 192 T CA -0.990 61.091 62.100 -0.033 0.000 1.007 192 T CB 3.024 71.922 68.868 0.050 0.000 1.186 192 T HN -0.018 nan 8.240 nan 0.000 0.499 193 P HA 0.186 nan 4.420 nan 0.000 0.285 193 P C 1.208 178.459 177.300 -0.081 0.000 1.259 193 P CA -0.579 62.424 63.100 -0.161 0.000 0.794 193 P CB 0.604 32.030 31.700 -0.456 0.000 0.940 194 V N 0.894 120.775 119.914 -0.054 0.000 2.867 194 V HA -0.214 3.906 4.120 -0.000 0.000 0.260 194 V C 1.206 177.254 176.094 -0.076 0.000 1.099 194 V CA 1.612 63.882 62.300 -0.050 0.000 1.122 194 V CB -1.377 30.296 31.823 -0.250 0.000 0.708 194 V HN 0.333 nan 8.190 nan 0.000 0.490 195 E N 0.251 120.339 120.200 -0.188 0.000 2.347 195 E HA -0.056 4.294 4.350 -0.000 0.000 0.196 195 E C 1.880 178.479 176.600 -0.003 0.000 1.008 195 E CA 1.405 57.714 56.400 -0.152 0.000 0.852 195 E CB -0.555 29.040 29.700 -0.175 0.000 0.783 195 E HN 0.881 nan 8.360 nan 0.000 0.505 196 H N -1.311 117.750 119.070 -0.015 0.000 2.544 196 H HA 0.132 4.688 4.556 -0.000 0.000 0.269 196 H C -0.112 175.009 175.328 -0.345 0.000 0.970 196 H CA -0.705 55.287 56.048 -0.095 0.000 1.219 196 H CB 0.118 29.850 29.762 -0.051 0.000 1.421 196 H HN 0.055 nan 8.280 nan 0.000 0.555 197 F N 2.776 122.454 119.950 -0.454 0.000 2.608 197 F HA -0.079 4.448 4.527 -0.000 0.000 0.380 197 F C 0.787 176.552 175.800 -0.059 0.000 1.083 197 F CA 0.132 57.910 58.000 -0.369 0.000 1.266 197 F CB 0.519 39.395 39.000 -0.206 0.000 1.076 197 F HN 0.163 nan 8.300 nan 0.000 0.574 198 Q N 5.344 125.274 119.800 0.216 0.000 2.205 198 Q HA 0.237 4.577 4.340 -0.000 0.000 0.249 198 Q C -1.618 174.497 176.000 0.192 0.000 0.948 198 Q CA -1.944 53.999 55.803 0.233 0.000 0.895 198 Q CB 0.787 29.712 28.738 0.310 0.000 1.249 198 Q HN 0.287 nan 8.270 nan 0.000 0.458 199 P HA -0.082 nan 4.420 nan 0.000 0.219 199 P C -0.494 176.547 177.300 -0.432 0.000 1.146 199 P CA 1.242 64.212 63.100 -0.216 0.000 0.808 199 P CB 0.190 31.656 31.700 -0.390 0.000 0.779 200 F N -0.940 119.090 119.950 0.133 0.000 2.375 200 F HA 0.297 4.824 4.527 -0.000 0.000 0.361 200 F C 0.253 176.101 175.800 0.080 0.000 1.117 200 F CA -1.138 56.925 58.000 0.106 0.000 1.037 200 F CB 0.773 39.840 39.000 0.111 0.000 1.192 200 F HN -0.408 nan 8.300 nan 0.000 0.452 201 V N 4.542 124.541 119.914 0.142 0.000 2.630 201 V HA 0.521 4.641 4.120 -0.000 0.000 0.305 201 V C -0.610 175.374 176.094 -0.183 0.000 1.046 201 V CA -0.778 61.502 62.300 -0.033 0.000 0.934 201 V CB 2.076 33.836 31.823 -0.106 0.000 1.003 201 V HN 0.443 nan 8.190 nan 0.000 0.451 202 L N 3.710 124.743 121.223 -0.316 0.000 2.410 202 L HA 0.637 4.977 4.340 -0.000 0.000 0.270 202 L C -1.061 175.598 176.870 -0.352 0.000 0.983 202 L CA -0.065 54.591 54.840 -0.307 0.000 0.822 202 L CB 1.631 43.527 42.059 -0.272 0.000 1.285 202 L HN 0.414 nan 8.230 nan 0.000 0.409 203 F N 1.348 121.231 119.950 -0.111 0.000 2.458 203 F HA 0.757 5.284 4.527 -0.000 0.000 0.336 203 F C 0.568 176.256 175.800 -0.187 0.000 1.114 203 F CA -0.758 57.159 58.000 -0.140 0.000 0.987 203 F CB 2.117 41.019 39.000 -0.163 0.000 1.130 203 F HN 0.453 nan 8.300 nan 0.000 0.458 204 T N -1.153 113.427 114.554 0.043 0.000 2.907 204 T HA 0.419 4.769 4.350 -0.000 0.000 0.292 204 T C -0.119 174.595 174.700 0.022 0.000 1.043 204 T CA -0.924 61.109 62.100 -0.112 0.000 1.003 204 T CB 1.766 70.528 68.868 -0.176 0.000 1.084 204 T HN 0.484 nan 8.240 nan 0.000 0.483 205 N N -0.174 118.539 118.700 0.022 0.000 2.234 205 N HA 0.176 4.916 4.740 -0.000 0.000 0.227 205 N C -0.998 174.738 175.510 0.376 0.000 1.151 205 N CA -0.539 52.576 53.050 0.108 0.000 0.865 205 N CB 0.110 38.546 38.487 -0.085 0.000 1.066 205 N HN 0.620 nan 8.380 nan 0.000 0.515 206 Y N -0.247 120.247 120.300 0.323 0.000 2.396 206 Y HA 0.385 4.935 4.550 -0.000 0.000 0.332 206 Y C 1.244 177.353 175.900 0.348 0.000 1.034 206 Y CA -1.428 56.934 58.100 0.437 0.000 1.057 206 Y CB 1.600 40.488 38.460 0.713 0.000 1.220 206 Y HN -0.060 nan 8.280 nan 0.000 0.440 207 T N 4.221 118.794 114.554 0.031 0.000 2.685 207 T HA -0.175 4.174 4.350 -0.000 0.000 0.268 207 T C 1.894 176.356 174.700 -0.397 0.000 1.034 207 T CA 2.181 64.138 62.100 -0.240 0.000 1.149 207 T CB 0.031 68.604 68.868 -0.492 0.000 0.860 207 T HN 0.651 nan 8.240 nan 0.000 0.449 208 R N -0.611 119.369 120.500 -0.867 0.000 2.193 208 R HA -0.075 4.265 4.340 -0.000 0.000 0.229 208 R C 2.034 178.085 176.300 -0.415 0.000 1.110 208 R CA 1.043 56.725 56.100 -0.697 0.000 0.988 208 R CB -0.353 29.378 30.300 -0.949 0.000 0.871 208 R HN 0.549 nan 8.270 nan 0.000 0.458 209 Y N -0.229 119.940 120.300 -0.219 0.000 2.263 209 Y HA -0.187 4.363 4.550 -0.000 0.000 0.292 209 Y C 2.455 178.313 175.900 -0.070 0.000 1.130 209 Y CA 1.255 59.306 58.100 -0.081 0.000 1.179 209 Y CB -0.318 38.137 38.460 -0.009 0.000 0.998 209 Y HN -0.091 nan 8.280 nan 0.000 0.532 210 V N -1.556 118.383 119.914 0.042 0.000 2.548 210 V HA -0.156 3.964 4.120 -0.000 0.000 0.249 210 V C 1.701 177.688 176.094 -0.178 0.000 1.055 210 V CA 2.072 64.296 62.300 -0.126 0.000 1.065 210 V CB -0.343 31.239 31.823 -0.401 0.000 0.681 210 V HN 0.180 nan 8.190 nan 0.000 0.462 211 D N 0.576 120.888 120.400 -0.146 0.000 2.092 211 D HA -0.193 4.446 4.640 -0.000 0.000 0.193 211 D C 2.159 178.398 176.300 -0.101 0.000 0.994 211 D CA 2.075 55.989 54.000 -0.143 0.000 0.828 211 D CB -0.253 40.449 40.800 -0.164 0.000 0.963 211 D HN 0.575 nan 8.370 nan 0.000 0.450 212 E N -0.321 119.831 120.200 -0.080 0.000 2.153 212 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 212 E C 1.763 178.405 176.600 0.070 0.000 0.988 212 E CA 0.412 56.795 56.400 -0.028 0.000 0.811 212 E CB -0.330 29.334 29.700 -0.060 0.000 0.746 212 E HN 0.235 nan 8.360 nan 0.000 0.466 213 F N -0.437 119.475 119.950 -0.063 0.000 2.098 213 F HA -0.102 4.424 4.527 -0.000 0.000 0.294 213 F C 2.035 177.840 175.800 0.008 0.000 1.107 213 F CA 0.978 58.980 58.000 0.003 0.000 1.234 213 F CB -0.550 38.420 39.000 -0.050 0.000 1.002 213 F HN -0.122 nan 8.300 nan 0.000 0.472 214 V N 1.585 121.391 119.914 -0.181 0.000 2.332 214 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 214 V C 2.658 178.610 176.094 -0.237 0.000 1.055 214 V CA 2.294 64.415 62.300 -0.299 0.000 1.038 214 V CB -0.812 30.834 31.823 -0.296 0.000 0.651 214 V HN 0.344 nan 8.190 nan 0.000 0.450 215 R N -1.031 119.385 120.500 -0.139 0.000 2.096 215 R HA -0.276 4.064 4.340 -0.000 0.000 0.229 215 R C 2.229 178.467 176.300 -0.102 0.000 1.134 215 R CA 2.609 58.650 56.100 -0.099 0.000 0.917 215 R CB -0.684 29.586 30.300 -0.049 0.000 0.832 215 R HN 0.593 nan 8.270 nan 0.000 0.430 216 W N 1.276 122.440 121.300 -0.227 0.000 2.308 216 W HA -0.144 4.516 4.660 -0.000 0.000 0.301 216 W C 1.765 178.090 176.519 -0.323 0.000 1.220 216 W CA 2.159 59.365 57.345 -0.231 0.000 1.240 216 W CB -0.735 28.600 29.460 -0.207 0.000 1.142 216 W HN 0.323 nan 8.180 nan 0.000 0.521 217 G N -0.187 108.288 108.800 -0.542 0.000 2.434 217 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.214 217 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.214 217 G C 1.452 176.000 174.900 -0.588 0.000 1.202 217 G CA 1.524 46.137 45.100 -0.811 0.000 0.788 217 G HN 0.367 nan 8.290 nan 0.000 0.539 218 C N 0.528 119.595 119.300 -0.389 0.000 2.401 218 C HA -0.095 4.364 4.460 -0.000 0.000 0.276 218 C C 3.436 178.261 174.990 -0.274 0.000 1.233 218 C CA 1.593 60.445 59.018 -0.278 0.000 1.753 218 C CB -0.889 26.734 27.740 -0.194 0.000 2.029 218 C HN 0.548 nan 8.230 nan 0.000 0.478 219 S N -0.185 115.335 115.700 -0.300 0.000 2.353 219 S HA -0.241 4.229 4.470 -0.000 0.000 0.222 219 S C 1.956 176.364 174.600 -0.320 0.000 1.035 219 S CA 1.800 59.841 58.200 -0.265 0.000 1.025 219 S CB -0.360 62.695 63.200 -0.243 0.000 0.902 219 S HN 0.618 nan 8.310 nan 0.000 0.440 220 Q N 0.892 120.378 119.800 -0.523 0.000 2.096 220 Q HA -0.046 4.294 4.340 -0.000 0.000 0.204 220 Q C 2.301 178.152 176.000 -0.248 0.000 0.982 220 Q CA 1.637 57.168 55.803 -0.454 0.000 0.850 220 Q CB -0.777 27.521 28.738 -0.734 0.000 0.901 220 Q HN 0.687 nan 8.270 nan 0.000 0.422 221 I N 0.119 120.536 120.570 -0.256 0.000 2.163 221 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 221 I C 1.938 177.979 176.117 -0.128 0.000 1.085 221 I CA 0.772 61.971 61.300 -0.169 0.000 1.347 221 I CB -0.289 37.598 38.000 -0.188 0.000 1.044 221 I HN 0.165 nan 8.210 nan 0.000 0.408 222 L N 0.282 121.425 121.223 -0.134 0.000 2.017 222 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 222 L C 1.178 177.999 176.870 -0.083 0.000 1.073 222 L CA 1.434 56.215 54.840 -0.097 0.000 0.745 222 L CB -1.136 40.866 42.059 -0.095 0.000 0.894 222 L HN 0.232 nan 8.230 nan 0.000 0.432 223 D N 0.355 120.699 120.400 -0.094 0.000 2.451 223 D HA -0.036 4.604 4.640 -0.000 0.000 0.254 223 D C -1.783 174.479 176.300 -0.063 0.000 1.204 223 D CA -1.400 52.557 54.000 -0.072 0.000 0.896 223 D CB 1.157 41.912 40.800 -0.075 0.000 1.136 223 D HN 0.045 nan 8.370 nan 0.000 0.499 224 P HA -0.016 nan 4.420 nan 0.000 0.234 224 P C 0.260 177.534 177.300 -0.043 0.000 1.167 224 P CA 0.567 63.642 63.100 -0.043 0.000 0.763 224 P CB 0.369 32.050 31.700 -0.033 0.000 0.835 225 D N -1.831 118.543 120.400 -0.043 0.000 2.355 225 D HA 0.018 4.658 4.640 -0.000 0.000 0.206 225 D C 0.731 176.996 176.300 -0.057 0.000 1.010 225 D CA 0.532 54.507 54.000 -0.041 0.000 0.875 225 D CB -0.010 40.773 40.800 -0.028 0.000 0.966 225 D HN 0.079 nan 8.370 nan 0.000 0.512 226 S N 1.246 116.907 115.700 -0.065 0.000 2.549 226 S HA 0.120 4.590 4.470 -0.000 0.000 0.279 226 S C -1.696 172.812 174.600 -0.154 0.000 1.321 226 S CA -1.153 56.995 58.200 -0.088 0.000 1.054 226 S CB 1.631 64.802 63.200 -0.048 0.000 0.899 226 S HN -0.198 nan 8.310 nan 0.000 0.497 227 P HA 0.048 nan 4.420 nan 0.000 0.225 227 P C -0.736 176.366 177.300 -0.329 0.000 1.156 227 P CA 0.580 63.484 63.100 -0.327 0.000 0.787 227 P CB -0.015 31.433 31.700 -0.420 0.000 0.802 228 Y N 0.791 121.030 120.300 -0.101 0.000 2.650 228 Y HA 0.040 4.590 4.550 -0.000 0.000 0.342 228 Y C 1.819 177.629 175.900 -0.150 0.000 1.110 228 Y CA -0.099 57.918 58.100 -0.139 0.000 1.438 228 Y CB -0.640 37.675 38.460 -0.242 0.000 1.181 228 Y HN 0.029 nan 8.280 nan 0.000 0.526 229 I N -0.475 120.095 120.570 -0.001 0.000 4.070 229 I HA 0.656 4.826 4.170 -0.000 0.000 0.328 229 I C 0.562 176.620 176.117 -0.098 0.000 1.298 229 I CA -0.026 61.252 61.300 -0.038 0.000 1.173 229 I CB 0.452 38.449 38.000 -0.004 0.000 1.051 229 I HN 0.429 nan 8.210 nan 0.000 0.409 230 A N 1.405 124.118 122.820 -0.177 0.000 2.609 230 A HA 0.784 5.104 4.320 -0.000 0.000 0.291 230 A C -1.882 175.398 177.584 -0.506 0.000 1.096 230 A CA -0.502 51.257 52.037 -0.464 0.000 0.684 230 A CB 1.944 20.534 19.000 -0.684 0.000 1.282 230 A HN 0.241 nan 8.150 nan 0.000 0.412 231 L N 0.883 121.684 121.223 -0.703 0.000 2.471 231 L HA 0.613 4.953 4.340 -0.000 0.000 0.263 231 L C -0.211 176.380 176.870 -0.465 0.000 0.985 231 L CA 0.121 54.696 54.840 -0.442 0.000 0.868 231 L CB 1.545 43.427 42.059 -0.295 0.000 1.203 231 L HN 0.696 nan 8.230 nan 0.000 0.429 232 S N 3.844 119.338 115.700 -0.344 0.000 2.523 232 S HA 0.570 5.040 4.470 -0.000 0.000 0.275 232 S C -0.304 174.250 174.600 -0.077 0.000 1.281 232 S CA -0.323 57.796 58.200 -0.134 0.000 1.050 232 S CB 0.012 63.278 63.200 0.109 0.000 0.937 232 S HN 0.776 nan 8.310 nan 0.000 0.492 233 C N 3.958 123.205 119.300 -0.088 0.000 2.456 233 C HA 0.799 5.259 4.460 -0.000 0.000 0.325 233 C C 0.822 175.515 174.990 -0.495 0.000 1.217 233 C CA -1.233 57.618 59.018 -0.279 0.000 1.687 233 C CB 0.385 28.164 27.740 0.065 0.000 2.270 233 C HN 1.027 nan 8.230 nan 0.000 0.499 234 A N 1.810 123.980 122.820 -1.082 0.000 2.548 234 A HA 0.468 4.788 4.320 -0.000 0.000 0.247 234 A C 1.364 178.682 177.584 -0.443 0.000 1.067 234 A CA 1.067 52.558 52.037 -0.909 0.000 0.757 234 A CB -0.706 17.499 19.000 -1.325 0.000 0.996 234 A HN 2.292 nan 8.150 nan 0.000 0.504 235 G N 0.963 109.576 108.800 -0.311 0.000 2.307 235 G HA2 0.210 4.170 3.960 -0.000 0.000 0.210 235 G HA3 0.210 4.170 3.960 -0.000 0.000 0.210 235 G C 1.407 176.302 174.900 -0.009 0.000 1.005 235 G CA 0.930 46.011 45.100 -0.033 0.000 0.634 235 G HN 2.657 nan 8.290 nan 0.000 0.496 236 G N -0.154 108.629 108.800 -0.029 0.000 2.905 236 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.196 236 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.196 236 G C 0.075 175.038 174.900 0.104 0.000 1.044 236 G CA 0.517 45.645 45.100 0.047 0.000 0.778 236 G HN 1.150 nan 8.290 nan 0.000 0.474 237 N N 0.939 119.689 118.700 0.083 0.000 2.219 237 N HA 0.235 4.975 4.740 -0.000 0.000 0.263 237 N C -0.458 175.152 175.510 0.166 0.000 1.269 237 N CA 0.660 53.780 53.050 0.116 0.000 0.831 237 N CB 0.196 38.733 38.487 0.084 0.000 1.059 237 N HN 0.427 nan 8.380 nan 0.000 0.475 238 W N 5.996 127.294 121.300 -0.004 0.000 2.424 238 W HA 0.490 5.150 4.660 -0.000 0.000 0.318 238 W C -1.542 174.963 176.519 -0.024 0.000 1.016 238 W CA -0.581 56.746 57.345 -0.029 0.000 1.268 238 W CB 0.451 29.891 29.460 -0.034 0.000 1.297 238 W HN 0.337 nan 8.180 nan 0.000 0.428 239 I N 5.849 126.183 120.570 -0.392 0.000 2.354 239 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 239 I C 0.447 176.319 176.117 -0.407 0.000 0.989 239 I CA -0.088 61.048 61.300 -0.273 0.000 1.188 239 I CB 2.218 40.105 38.000 -0.189 0.000 1.342 239 I HN 0.244 nan 8.210 nan 0.000 0.457 240 T N 3.383 117.833 114.554 -0.174 0.000 2.888 240 T HA 0.547 4.897 4.350 -0.000 0.000 0.288 240 T C 1.100 175.761 174.700 -0.064 0.000 1.063 240 T CA 0.171 62.206 62.100 -0.108 0.000 1.010 240 T CB 1.743 70.659 68.868 0.080 0.000 1.214 240 T HN 0.617 nan 8.240 nan 0.000 0.533 241 A N 1.153 123.944 122.820 -0.048 0.000 1.940 241 A HA -0.075 4.245 4.320 -0.000 0.000 0.221 241 A C 1.090 178.659 177.584 -0.026 0.000 1.190 241 A CA 2.042 54.053 52.037 -0.043 0.000 0.647 241 A CB -0.632 18.351 19.000 -0.029 0.000 0.821 241 A HN 0.820 nan 8.150 nan 0.000 0.457 242 E N 0.499 120.698 120.200 -0.001 0.000 2.373 242 E HA 0.333 4.682 4.350 -0.000 0.000 0.233 242 E C -1.246 175.365 176.600 0.017 0.000 1.035 242 E CA -0.268 56.136 56.400 0.006 0.000 0.930 242 E CB -0.165 29.543 29.700 0.014 0.000 1.278 242 E HN 0.122 nan 8.360 nan 0.000 0.452 243 T N 2.079 116.635 114.554 0.004 0.000 2.841 243 T HA 0.192 4.542 4.350 -0.000 0.000 0.285 243 T C -0.466 174.235 174.700 0.003 0.000 0.991 243 T CA -0.805 61.303 62.100 0.013 0.000 0.966 243 T CB 1.626 70.498 68.868 0.006 0.000 0.962 243 T HN 0.192 nan 8.240 nan 0.000 0.438 244 E N 2.253 122.460 120.200 0.011 0.000 2.265 244 E HA 0.409 4.759 4.350 -0.000 0.000 0.272 244 E C 0.489 177.092 176.600 0.005 0.000 1.067 244 E CA -0.100 56.303 56.400 0.006 0.000 0.900 244 E CB 0.622 30.329 29.700 0.011 0.000 1.017 244 E HN 1.011 nan 8.360 nan 0.000 0.431 245 A N 5.029 127.848 122.820 -0.003 0.000 2.060 245 A HA -0.118 4.202 4.320 -0.000 0.000 0.267 245 A C -1.989 175.593 177.584 -0.004 0.000 1.378 245 A CA -0.314 51.720 52.037 -0.004 0.000 0.733 245 A CB -1.253 17.748 19.000 0.002 0.000 1.188 245 A HN 0.401 nan 8.150 nan 0.000 0.311 246 P HA 0.267 nan 4.420 nan 0.000 0.246 246 P C 0.572 177.862 177.300 -0.016 0.000 1.675 246 P CA 0.533 63.619 63.100 -0.023 0.000 0.908 246 P CB 0.376 32.047 31.700 -0.049 0.000 1.890 247 E N -0.024 120.177 120.200 0.001 0.000 2.307 247 E HA -0.036 4.314 4.350 -0.000 0.000 0.195 247 E C 0.970 177.590 176.600 0.033 0.000 0.975 247 E CA 0.637 57.043 56.400 0.010 0.000 0.878 247 E CB -0.166 29.541 29.700 0.012 0.000 0.845 247 E HN 0.208 nan 8.360 nan 0.000 0.488 248 E N 0.356 120.582 120.200 0.042 0.000 2.438 248 E HA 0.100 4.450 4.350 -0.000 0.000 0.192 248 E C 1.194 177.847 176.600 0.088 0.000 1.110 248 E CA 0.400 56.839 56.400 0.066 0.000 0.893 248 E CB -0.154 29.582 29.700 0.060 0.000 0.990 248 E HN 0.252 nan 8.360 nan 0.000 0.490 249 A N 0.454 123.319 122.820 0.074 0.000 1.902 249 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 249 A C 1.360 179.075 177.584 0.219 0.000 1.181 249 A CA 0.808 52.908 52.037 0.104 0.000 0.623 249 A CB 0.012 19.025 19.000 0.021 0.000 0.818 249 A HN 0.286 nan 8.150 nan 0.000 0.443 250 I N 0.613 121.282 120.570 0.166 0.000 3.010 250 I HA 0.098 4.268 4.170 -0.000 0.000 0.330 250 I C 0.407 176.679 176.117 0.259 0.000 1.334 250 I CA -0.342 61.102 61.300 0.241 0.000 0.945 250 I CB 0.484 38.582 38.000 0.162 0.000 2.027 250 I HN 0.186 nan 8.210 nan 0.000 0.564 251 S N 1.244 117.068 115.700 0.206 0.000 2.626 251 S HA -0.099 4.371 4.470 -0.000 0.000 0.303 251 S C 1.125 175.860 174.600 0.226 0.000 1.256 251 S CA 0.079 58.379 58.200 0.167 0.000 1.069 251 S CB 0.413 63.681 63.200 0.114 0.000 0.807 251 S HN 0.397 nan 8.310 nan 0.000 0.500 252 D N 3.363 123.906 120.400 0.239 0.000 2.219 252 D HA -0.058 4.582 4.640 -0.000 0.000 0.205 252 D C 1.603 178.067 176.300 0.275 0.000 0.970 252 D CA 0.628 54.822 54.000 0.324 0.000 0.851 252 D CB -0.160 40.772 40.800 0.221 0.000 0.943 252 D HN 0.549 nan 8.370 nan 0.000 0.488 253 L N 0.213 121.533 121.223 0.162 0.000 2.450 253 L HA -0.011 4.329 4.340 -0.000 0.000 0.224 253 L C 1.888 178.803 176.870 0.075 0.000 1.149 253 L CA 0.839 55.741 54.840 0.105 0.000 0.816 253 L CB -0.462 41.635 42.059 0.063 0.000 0.932 253 L HN -0.053 nan 8.230 nan 0.000 0.449 254 A N -0.958 121.908 122.820 0.077 0.000 1.858 254 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 254 A C 2.012 179.567 177.584 -0.049 0.000 1.190 254 A CA 1.587 53.614 52.037 -0.017 0.000 0.617 254 A CB -1.119 17.754 19.000 -0.211 0.000 0.827 254 A HN 0.638 nan 8.150 nan 0.000 0.443 255 W N 0.159 121.551 121.300 0.153 0.000 2.632 255 W HA -0.030 4.630 4.660 -0.000 0.000 0.248 255 W C 2.030 178.587 176.519 0.064 0.000 1.259 255 W CA 1.408 58.830 57.345 0.128 0.000 1.288 255 W CB -0.107 29.432 29.460 0.132 0.000 1.136 255 W HN 0.513 nan 8.180 nan 0.000 0.640 256 K N 0.577 121.081 120.400 0.174 0.000 2.313 256 K HA -0.022 4.298 4.320 -0.000 0.000 0.197 256 K C 1.802 178.375 176.600 -0.045 0.000 1.061 256 K CA 0.541 56.878 56.287 0.083 0.000 0.980 256 K CB 0.158 32.702 32.500 0.072 0.000 0.888 256 K HN -0.089 nan 8.250 nan 0.000 0.502 257 K N -0.416 119.873 120.400 -0.186 0.000 2.314 257 K HA 0.029 4.349 4.320 -0.000 0.000 0.198 257 K C -0.348 175.797 176.600 -0.760 0.000 1.045 257 K CA 0.545 56.542 56.287 -0.484 0.000 0.988 257 K CB 0.278 32.386 32.500 -0.654 0.000 0.783 257 K HN 0.211 nan 8.250 nan 0.000 0.484 258 H N 0.051 119.059 119.070 -0.103 0.000 2.609 258 H HA 0.205 4.761 4.556 -0.000 0.000 0.344 258 H C -0.639 174.667 175.328 -0.036 0.000 1.040 258 H CA -0.758 55.209 56.048 -0.135 0.000 1.216 258 H CB 1.498 31.139 29.762 -0.202 0.000 1.529 258 H HN -0.064 nan 8.280 nan 0.000 0.519 262 A N 1.305 123.679 122.820 -0.744 0.000 2.386 262 A HA 0.941 5.261 4.320 -0.000 0.000 0.308 262 A C -1.708 175.247 177.584 -1.048 0.000 1.128 262 A CA -0.545 51.122 52.037 -0.617 0.000 0.789 262 A CB 1.596 20.276 19.000 -0.534 0.000 1.325 262 A HN 0.448 nan 8.150 nan 0.000 0.437 263 W N 1.642 122.577 121.300 -0.607 0.000 2.968 263 W HA 0.339 4.999 4.660 -0.000 0.000 0.337 263 W C -1.153 175.077 176.519 -0.481 0.000 1.060 263 W CA -0.312 56.787 57.345 -0.409 0.000 1.240 263 W CB 1.501 30.965 29.460 0.007 0.000 1.370 263 W HN 0.712 nan 8.180 nan 0.000 0.459 264 H N 4.119 123.248 119.070 0.097 0.000 2.481 264 H HA 0.361 4.917 4.556 -0.000 0.000 0.333 264 H C -0.311 175.056 175.328 0.065 0.000 1.066 264 H CA -0.647 55.441 56.048 0.066 0.000 1.209 264 H CB 2.680 32.408 29.762 -0.056 0.000 1.445 264 H HN 0.187 nan 8.280 nan 0.000 0.488 265 L N 5.393 126.756 121.223 0.233 0.000 2.353 265 L HA 0.212 4.552 4.340 -0.000 0.000 0.269 265 L C -0.305 176.691 176.870 0.210 0.000 1.085 265 L CA -0.705 54.176 54.840 0.068 0.000 0.938 265 L CB -0.161 41.815 42.059 -0.138 0.000 1.312 265 L HN 0.405 nan 8.230 nan 0.000 0.429 266 I N 2.167 122.801 120.570 0.106 0.000 2.779 266 I HA 0.127 4.297 4.170 -0.000 0.000 0.285 266 I C 1.021 177.229 176.117 0.153 0.000 1.134 266 I CA 0.525 61.909 61.300 0.139 0.000 1.398 266 I CB 1.259 39.300 38.000 0.069 0.000 1.404 266 I HN 0.480 nan 8.210 nan 0.000 0.587 267 T N 1.117 115.747 114.554 0.127 0.000 2.901 267 T HA 0.697 5.047 4.350 -0.000 0.000 0.293 267 T C 0.789 175.520 174.700 0.052 0.000 1.084 267 T CA -0.297 61.826 62.100 0.038 0.000 1.008 267 T CB 1.540 70.381 68.868 -0.045 0.000 1.170 267 T HN 0.592 nan 8.240 nan 0.000 0.509 268 A N 1.487 124.321 122.820 0.023 0.000 1.903 268 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 268 A C 1.766 179.378 177.584 0.048 0.000 1.191 268 A CA 2.193 54.253 52.037 0.037 0.000 0.638 268 A CB -1.137 17.872 19.000 0.016 0.000 0.823 268 A HN 0.989 nan 8.150 nan 0.000 0.451 269 D N -1.295 119.128 120.400 0.040 0.000 2.319 269 D HA 0.255 4.895 4.640 -0.000 0.000 0.230 269 D C 0.999 177.346 176.300 0.079 0.000 1.094 269 D CA 0.651 54.682 54.000 0.051 0.000 0.856 269 D CB -1.064 39.761 40.800 0.041 0.000 0.915 269 D HN 0.887 nan 8.370 nan 0.000 0.517 270 G N 1.231 110.088 108.800 0.096 0.000 2.338 270 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.296 270 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.296 270 G C 0.266 175.270 174.900 0.175 0.000 1.040 270 G CA -0.070 45.107 45.100 0.129 0.000 1.004 270 G HN 0.361 nan 8.290 nan 0.000 0.509 271 Q N -0.487 119.429 119.800 0.193 0.000 2.155 271 Q HA 0.334 4.674 4.340 -0.000 0.000 0.273 271 Q C 1.392 177.581 176.000 0.316 0.000 0.857 271 Q CA 0.334 56.317 55.803 0.299 0.000 1.116 271 Q CB 0.702 29.568 28.738 0.213 0.000 1.209 271 Q HN 0.604 nan 8.270 nan 0.000 0.460 272 G N 0.540 109.547 108.800 0.344 0.000 2.514 272 G HA2 0.531 4.491 3.960 -0.000 0.000 0.245 272 G HA3 0.531 4.491 3.960 -0.000 0.000 0.245 272 G C -0.096 175.103 174.900 0.498 0.000 1.488 272 G CA -0.347 45.033 45.100 0.466 0.000 1.063 272 G HN 0.230 nan 8.290 nan 0.000 0.557 273 I N -0.460 120.390 120.570 0.467 0.000 2.499 273 I HA 0.283 4.453 4.170 -0.000 0.000 0.288 273 I C -0.544 175.783 176.117 0.350 0.000 1.048 273 I CA -0.396 61.145 61.300 0.402 0.000 1.062 273 I CB 2.528 40.764 38.000 0.394 0.000 1.238 273 I HN 0.231 nan 8.210 nan 0.000 0.426 274 T N 6.828 121.525 114.554 0.238 0.000 2.824 274 T HA 0.582 4.932 4.350 -0.000 0.000 0.280 274 T C -0.664 173.970 174.700 -0.111 0.000 0.995 274 T CA -0.365 61.821 62.100 0.143 0.000 1.009 274 T CB 1.484 70.509 68.868 0.262 0.000 0.955 274 T HN 0.359 nan 8.240 nan 0.000 0.452 275 L N 4.240 125.296 121.223 -0.278 0.000 2.381 275 L HA 0.780 5.120 4.340 -0.000 0.000 0.274 275 L C -1.414 175.381 176.870 -0.125 0.000 0.988 275 L CA -0.659 53.952 54.840 -0.382 0.000 0.824 275 L CB 1.205 42.696 42.059 -0.947 0.000 1.263 275 L HN 0.389 nan 8.230 nan 0.000 0.410 276 V N 3.695 123.610 119.914 0.002 0.000 2.495 276 V HA 0.371 4.491 4.120 -0.000 0.000 0.298 276 V C -0.388 175.835 176.094 0.214 0.000 1.031 276 V CA -0.691 61.701 62.300 0.153 0.000 0.871 276 V CB 1.762 33.771 31.823 0.310 0.000 0.988 276 V HN 0.775 nan 8.190 nan 0.000 0.432 277 N N 3.949 122.795 118.700 0.244 0.000 2.645 277 N HA 0.269 5.009 4.740 -0.000 0.000 0.233 277 N C 0.978 176.604 175.510 0.194 0.000 1.058 277 N CA -0.471 52.740 53.050 0.268 0.000 0.942 277 N CB 0.526 39.282 38.487 0.448 0.000 1.210 277 N HN 0.755 nan 8.380 nan 0.000 0.512 278 I N 0.264 120.893 120.570 0.098 0.000 3.176 278 I HA 0.266 4.436 4.170 -0.000 0.000 0.275 278 I C 1.041 177.164 176.117 0.010 0.000 1.298 278 I CA 0.192 61.478 61.300 -0.023 0.000 1.445 278 I CB -0.891 36.974 38.000 -0.225 0.000 1.075 278 I HN 0.490 nan 8.210 nan 0.000 0.482 279 G N 1.048 109.907 108.800 0.098 0.000 2.584 279 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.229 279 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.229 279 G C -0.595 174.343 174.900 0.063 0.000 1.320 279 G CA -0.167 45.004 45.100 0.118 0.000 0.891 279 G HN 0.353 nan 8.290 nan 0.000 0.573 280 V N 0.840 120.792 119.914 0.063 0.000 2.715 280 V HA 0.881 5.001 4.120 -0.000 0.000 0.310 280 V C 0.751 176.852 176.094 0.012 0.000 1.054 280 V CA 1.412 63.735 62.300 0.039 0.000 0.928 280 V CB 1.222 33.098 31.823 0.087 0.000 1.007 280 V HN 2.958 nan 8.190 nan 0.000 0.437 281 G N 5.840 114.632 108.800 -0.014 0.000 2.592 281 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.685 281 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.685 281 G C -2.814 172.047 174.900 -0.065 0.000 1.278 281 G CA -0.208 44.879 45.100 -0.021 0.000 0.822 281 G HN 0.548 nan 8.290 nan 0.000 0.652 282 P HA 0.053 nan 4.420 nan 0.000 0.222 282 P C 2.063 179.309 177.300 -0.090 0.000 1.153 282 P CA 1.523 64.569 63.100 -0.090 0.000 0.798 282 P CB 0.247 31.901 31.700 -0.077 0.000 0.796 283 S N -0.530 115.135 115.700 -0.058 0.000 2.359 283 S HA -0.193 4.277 4.470 -0.000 0.000 0.224 283 S C 1.788 176.328 174.600 -0.101 0.000 1.035 283 S CA 1.514 59.683 58.200 -0.052 0.000 1.018 283 S CB -1.137 62.052 63.200 -0.018 0.000 0.876 283 S HN 0.337 nan 8.310 nan 0.000 0.448 284 N N 1.010 119.638 118.700 -0.120 0.000 2.142 284 N HA -0.025 4.715 4.740 -0.000 0.000 0.186 284 N C 2.024 177.377 175.510 -0.261 0.000 1.023 284 N CA 0.871 53.811 53.050 -0.184 0.000 0.852 284 N CB -0.219 38.181 38.487 -0.146 0.000 0.998 284 N HN 0.382 nan 8.380 nan 0.000 0.424 285 A N 1.932 124.592 122.820 -0.268 0.000 1.908 285 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 285 A C 2.102 179.480 177.584 -0.344 0.000 1.181 285 A CA 1.382 53.187 52.037 -0.388 0.000 0.627 285 A CB -0.451 18.354 19.000 -0.326 0.000 0.818 285 A HN 0.218 nan 8.150 nan 0.000 0.445 286 K N -0.926 119.346 120.400 -0.214 0.000 1.985 286 K HA -0.136 4.183 4.320 -0.000 0.000 0.210 286 K C 2.082 178.592 176.600 -0.150 0.000 1.047 286 K CA 1.929 58.132 56.287 -0.141 0.000 0.932 286 K CB -0.479 31.974 32.500 -0.078 0.000 0.716 286 K HN 0.416 nan 8.250 nan 0.000 0.439 287 T N 1.874 116.328 114.554 -0.167 0.000 2.635 287 T HA -0.204 4.145 4.350 -0.000 0.000 0.267 287 T C 1.817 176.387 174.700 -0.216 0.000 1.040 287 T CA 1.638 63.630 62.100 -0.181 0.000 1.156 287 T CB -0.300 68.450 68.868 -0.197 0.000 0.863 287 T HN 0.248 nan 8.240 nan 0.000 0.430 288 I N 0.727 121.136 120.570 -0.268 0.000 2.226 288 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 288 I C 2.370 178.365 176.117 -0.204 0.000 1.100 288 I CA 0.885 62.057 61.300 -0.213 0.000 1.374 288 I CB -0.517 37.298 38.000 -0.307 0.000 1.057 288 I HN 0.302 nan 8.210 nan 0.000 0.413 289 C N 0.448 119.560 119.300 -0.314 0.000 2.440 289 C HA -0.122 4.338 4.460 -0.000 0.000 0.278 289 C C 2.368 177.325 174.990 -0.055 0.000 1.295 289 C CA 0.760 59.643 59.018 -0.225 0.000 1.738 289 C CB -1.273 26.356 27.740 -0.185 0.000 1.987 289 C HN 0.514 nan 8.230 nan 0.000 0.492 290 D N 0.014 120.325 120.400 -0.149 0.000 2.133 290 D HA -0.130 4.510 4.640 -0.000 0.000 0.195 290 D C 1.945 177.913 176.300 -0.554 0.000 0.997 290 D CA 1.436 55.234 54.000 -0.337 0.000 0.840 290 D CB -0.399 40.156 40.800 -0.410 0.000 0.947 290 D HN 0.630 nan 8.370 nan 0.000 0.452 291 H N -0.817 118.156 119.070 -0.161 0.000 2.399 291 H HA 0.063 4.619 4.556 -0.000 0.000 0.300 291 H C 2.121 177.307 175.328 -0.235 0.000 1.048 291 H CA 0.109 56.035 56.048 -0.203 0.000 1.370 291 H CB -0.472 29.227 29.762 -0.105 0.000 1.428 291 H HN 0.073 nan 8.280 nan 0.000 0.534 292 L N 1.684 122.894 121.223 -0.021 0.000 2.191 292 L HA -0.044 4.296 4.340 -0.000 0.000 0.212 292 L C 2.454 179.362 176.870 0.064 0.000 1.103 292 L CA 1.419 56.273 54.840 0.023 0.000 0.769 292 L CB -0.886 41.290 42.059 0.196 0.000 0.908 292 L HN 0.181 nan 8.230 nan 0.000 0.438 293 A N -0.725 122.101 122.820 0.011 0.000 1.948 293 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 293 A C 2.317 179.767 177.584 -0.223 0.000 1.177 293 A CA 2.256 54.245 52.037 -0.079 0.000 0.636 293 A CB -1.361 17.310 19.000 -0.548 0.000 0.815 293 A HN 0.512 nan 8.150 nan 0.000 0.449 294 V N -2.218 117.391 119.914 -0.508 0.000 2.913 294 V HA -0.060 4.060 4.120 -0.000 0.000 0.260 294 V C 1.861 177.880 176.094 -0.125 0.000 1.098 294 V CA 1.818 63.837 62.300 -0.468 0.000 1.121 294 V CB -0.707 30.785 31.823 -0.551 0.000 0.714 294 V HN 0.461 nan 8.190 nan 0.000 0.487 295 L N -0.317 120.849 121.223 -0.096 0.000 2.599 295 L HA 0.265 4.605 4.340 -0.000 0.000 0.230 295 L C 0.905 177.723 176.870 -0.086 0.000 1.141 295 L CA -0.029 54.789 54.840 -0.036 0.000 0.877 295 L CB -0.280 41.700 42.059 -0.132 0.000 1.009 295 L HN 0.340 nan 8.230 nan 0.000 0.447 296 R N -1.142 119.294 120.500 -0.107 0.000 3.146 296 R HA -0.134 4.206 4.340 -0.000 0.000 0.250 296 R C -2.276 173.954 176.300 -0.116 0.000 0.912 296 R CA 0.012 56.025 56.100 -0.146 0.000 0.633 296 R CB -2.164 27.917 30.300 -0.366 0.000 1.180 296 R HN 0.235 nan 8.270 nan 0.000 0.464 297 P HA 0.051 nan 4.420 nan 0.000 0.271 297 P C 0.698 177.905 177.300 -0.154 0.000 1.233 297 P CA -0.292 62.758 63.100 -0.084 0.000 0.789 297 P CB 0.557 32.278 31.700 0.034 0.000 0.951 298 D N -0.876 119.369 120.400 -0.258 0.000 2.271 298 D HA 0.101 4.741 4.640 -0.000 0.000 0.206 298 D C 0.251 176.406 176.300 -0.242 0.000 0.967 298 D CA 0.948 54.820 54.000 -0.214 0.000 0.867 298 D CB 0.485 40.986 40.800 -0.498 0.000 0.960 298 D HN 0.079 nan 8.370 nan 0.000 0.509 299 V N 0.140 119.921 119.914 -0.222 0.000 3.155 299 V HA 0.422 4.541 4.120 -0.000 0.000 0.272 299 V C -2.194 173.923 176.094 0.039 0.000 1.639 299 V CA -0.955 61.261 62.300 -0.139 0.000 1.006 299 V CB 1.644 33.463 31.823 -0.007 0.000 1.244 299 V HN 0.141 nan 8.190 nan 0.000 0.458 300 W N 6.238 127.546 121.300 0.013 0.000 2.957 300 W HA 0.873 5.533 4.660 -0.000 0.000 0.336 300 W C -2.091 174.434 176.519 0.010 0.000 1.087 300 W CA -1.373 55.917 57.345 -0.091 0.000 1.235 300 W CB 0.645 29.993 29.460 -0.186 0.000 1.399 300 W HN 0.499 nan 8.180 nan 0.000 0.480 304 G N 3.829 112.536 108.800 -0.155 0.000 2.721 304 G HA2 0.648 4.608 3.960 -0.000 0.000 0.296 304 G HA3 0.648 4.608 3.960 -0.000 0.000 0.296 304 G C -1.096 173.961 174.900 0.262 0.000 1.383 304 G CA -0.640 44.405 45.100 -0.091 0.000 0.788 304 G HN 0.645 nan 8.290 nan 0.000 0.500 305 H N -2.357 116.877 119.070 0.274 0.000 2.508 305 H HA 0.760 5.316 4.556 -0.000 0.000 0.358 305 H C 0.491 175.822 175.328 0.005 0.000 1.212 305 H CA -0.631 55.471 56.048 0.091 0.000 1.356 305 H CB 1.227 30.872 29.762 -0.195 0.000 1.525 305 H HN 0.965 nan 8.280 nan 0.000 0.578 306 C N 0.188 119.562 119.300 0.123 0.000 3.318 306 C HA 0.875 5.335 4.460 -0.000 0.000 0.322 306 C C 0.436 175.458 174.990 0.054 0.000 1.398 306 C CA -0.509 58.557 59.018 0.080 0.000 1.339 306 C CB 1.054 28.810 27.740 0.026 0.000 1.668 306 C HN 1.244 nan 8.230 nan 0.000 0.462 307 G N 0.106 108.946 108.800 0.066 0.000 2.356 307 G HA2 0.598 4.558 3.960 -0.000 0.000 0.298 307 G HA3 0.598 4.558 3.960 -0.000 0.000 0.298 307 G C 0.117 175.041 174.900 0.040 0.000 1.145 307 G CA 0.056 45.209 45.100 0.088 0.000 0.850 307 G HN 1.569 nan 8.290 nan 0.000 0.487 308 G N 0.582 109.403 108.800 0.034 0.000 2.325 308 G HA2 0.446 4.406 3.960 -0.000 0.000 0.298 308 G HA3 0.446 4.406 3.960 -0.000 0.000 0.298 308 G C 0.605 175.544 174.900 0.065 0.000 1.134 308 G CA -0.598 44.505 45.100 0.006 0.000 0.876 308 G HN 0.547 nan 8.290 nan 0.000 0.452 309 L N 1.754 123.013 121.223 0.059 0.000 2.616 309 L HA 0.291 4.631 4.340 -0.000 0.000 0.229 309 L C 0.906 177.889 176.870 0.189 0.000 1.110 309 L CA -0.100 54.830 54.840 0.151 0.000 0.884 309 L CB -0.050 42.076 42.059 0.112 0.000 1.115 309 L HN 0.232 nan 8.230 nan 0.000 0.481 310 R N 0.684 121.220 120.500 0.060 0.000 2.368 310 R HA 0.107 4.447 4.340 -0.000 0.000 0.302 310 R C 0.972 177.161 176.300 -0.184 0.000 1.002 310 R CA -0.275 55.837 56.100 0.020 0.000 0.929 310 R CB 1.557 31.846 30.300 -0.019 0.000 1.073 310 R HN 0.002 nan 8.270 nan 0.000 0.464 311 E N 1.993 122.081 120.200 -0.187 0.000 2.085 311 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 311 E C 1.019 177.435 176.600 -0.306 0.000 0.994 311 E CA 2.329 58.434 56.400 -0.492 0.000 0.801 311 E CB -0.146 29.545 29.700 -0.016 0.000 0.743 311 E HN 0.547 nan 8.360 nan 0.000 0.453 312 S N -0.427 115.179 115.700 -0.155 0.000 2.469 312 S HA -0.155 4.315 4.470 -0.000 0.000 0.238 312 S C 0.888 175.404 174.600 -0.140 0.000 0.998 312 S CA 0.251 58.378 58.200 -0.122 0.000 0.957 312 S CB -0.469 62.687 63.200 -0.073 0.000 0.764 312 S HN 0.373 nan 8.310 nan 0.000 0.514 313 Q N 1.070 120.772 119.800 -0.164 0.000 2.373 313 Q HA 0.599 4.938 4.340 -0.000 0.000 0.255 313 Q C -0.438 175.459 176.000 -0.172 0.000 0.980 313 Q CA 0.022 55.735 55.803 -0.150 0.000 0.882 313 Q CB 1.030 29.690 28.738 -0.130 0.000 1.249 313 Q HN 0.533 nan 8.270 nan 0.000 0.438 314 A N 2.914 125.634 122.820 -0.167 0.000 2.355 314 A HA 0.471 4.790 4.320 -0.000 0.000 0.317 314 A C -0.384 177.095 177.584 -0.175 0.000 1.094 314 A CA -0.793 51.129 52.037 -0.192 0.000 0.764 314 A CB 0.712 19.573 19.000 -0.232 0.000 1.230 314 A HN 0.776 nan 8.150 nan 0.000 0.448 315 I N 1.891 122.374 120.570 -0.146 0.000 2.906 315 I HA 0.132 4.302 4.170 -0.000 0.000 0.301 315 I C 1.498 177.581 176.117 -0.057 0.000 1.221 315 I CA 2.169 63.429 61.300 -0.067 0.000 1.435 315 I CB 0.237 38.249 38.000 0.021 0.000 1.345 315 I HN 1.137 nan 8.210 nan 0.000 0.558 316 G N 4.138 112.915 108.800 -0.040 0.000 2.238 316 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 316 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 316 G C 0.093 174.751 174.900 -0.403 0.000 0.996 316 G CA -0.424 44.621 45.100 -0.091 0.000 0.632 316 G HN 0.568 nan 8.290 nan 0.000 0.503 317 D N 0.038 120.231 120.400 -0.345 0.000 2.361 317 D HA 0.516 5.156 4.640 -0.000 0.000 0.239 317 D C 0.142 176.143 176.300 -0.498 0.000 1.200 317 D CA 0.391 54.139 54.000 -0.420 0.000 0.915 317 D CB 0.349 41.020 40.800 -0.214 0.000 1.170 317 D HN 0.200 nan 8.370 nan 0.000 0.444 318 Y N -0.816 119.444 120.300 -0.068 0.000 2.457 318 Y HA 0.478 5.028 4.550 -0.000 0.000 0.333 318 Y C 0.241 176.109 175.900 -0.053 0.000 1.119 318 Y CA -0.955 57.096 58.100 -0.082 0.000 1.143 318 Y CB 1.429 39.843 38.460 -0.077 0.000 1.230 318 Y HN -0.090 nan 8.280 nan 0.000 0.469 319 V N 3.808 123.807 119.914 0.142 0.000 2.482 319 V HA 0.276 4.396 4.120 -0.000 0.000 0.295 319 V C -1.183 174.946 176.094 0.058 0.000 1.026 319 V CA -0.745 61.588 62.300 0.054 0.000 0.856 319 V CB 1.738 33.565 31.823 0.007 0.000 1.001 319 V HN 0.511 nan 8.190 nan 0.000 0.424 320 L N 5.572 126.813 121.223 0.030 0.000 2.255 320 L HA 0.801 5.141 4.340 -0.000 0.000 0.289 320 L C 0.622 177.465 176.870 -0.045 0.000 1.046 320 L CA -0.067 54.794 54.840 0.033 0.000 0.816 320 L CB 0.847 42.948 42.059 0.070 0.000 1.197 320 L HN 0.752 nan 8.230 nan 0.000 0.427 321 A N 3.871 126.667 122.820 -0.040 0.000 2.450 321 A HA 0.367 4.687 4.320 -0.000 0.000 0.255 321 A C 0.415 177.938 177.584 -0.103 0.000 1.096 321 A CA 0.254 52.191 52.037 -0.167 0.000 0.778 321 A CB -0.163 18.670 19.000 -0.278 0.000 1.031 321 A HN 0.961 nan 8.150 nan 0.000 0.494 322 H N 0.151 119.077 119.070 -0.240 0.000 2.893 322 H HA 0.629 5.185 4.556 -0.000 0.000 0.270 322 H C -0.200 175.007 175.328 -0.202 0.000 1.095 322 H CA -0.113 55.839 56.048 -0.161 0.000 1.186 322 H CB -0.448 29.256 29.762 -0.098 0.000 1.562 322 H HN 1.040 nan 8.280 nan 0.000 0.536 323 A N -0.062 122.685 122.820 -0.122 0.000 2.567 323 A HA 0.583 4.903 4.320 -0.000 0.000 0.291 323 A C -2.233 175.078 177.584 -0.456 0.000 1.048 323 A CA -0.864 51.036 52.037 -0.229 0.000 0.661 323 A CB 0.705 19.597 19.000 -0.181 0.000 1.288 323 A HN 0.160 nan 8.150 nan 0.000 0.424 324 Y N -0.357 119.939 120.300 -0.006 0.000 2.442 324 Y HA 0.595 5.145 4.550 -0.000 0.000 0.344 324 Y C -0.325 175.534 175.900 -0.068 0.000 0.976 324 Y CA -0.696 57.380 58.100 -0.040 0.000 1.040 324 Y CB 2.173 40.602 38.460 -0.052 0.000 1.228 324 Y HN 0.614 nan 8.280 nan 0.000 0.451 325 L N 4.388 125.638 121.223 0.045 0.000 2.270 325 L HA 0.492 4.832 4.340 -0.000 0.000 0.286 325 L C -0.233 176.626 176.870 -0.018 0.000 1.059 325 L CA -0.600 54.232 54.840 -0.012 0.000 0.839 325 L CB 0.234 42.248 42.059 -0.076 0.000 1.221 325 L HN 0.530 nan 8.230 nan 0.000 0.431 326 R N 3.462 123.955 120.500 -0.012 0.000 2.853 326 R HA 0.081 4.421 4.340 -0.000 0.000 0.238 326 R C -0.340 175.919 176.300 -0.069 0.000 1.538 326 R CA 0.097 56.170 56.100 -0.046 0.000 1.166 326 R CB -0.186 30.085 30.300 -0.049 0.000 1.201 326 R HN 0.562 nan 8.270 nan 0.000 0.606 327 D N 0.798 121.130 120.400 -0.114 0.000 2.427 327 D HA -0.041 4.599 4.640 -0.000 0.000 0.224 327 D C 0.405 176.468 176.300 -0.395 0.000 1.157 327 D CA 0.260 54.145 54.000 -0.192 0.000 0.828 327 D CB 0.513 41.246 40.800 -0.112 0.000 0.974 327 D HN 0.451 nan 8.370 nan 0.000 0.498 328 D N -1.081 119.146 120.400 -0.288 0.000 2.333 328 D HA -0.124 4.516 4.640 -0.000 0.000 0.208 328 D C 0.875 177.043 176.300 -0.220 0.000 0.984 328 D CA 0.525 54.370 54.000 -0.258 0.000 0.873 328 D CB -0.020 40.693 40.800 -0.144 0.000 0.935 328 D HN 0.088 nan 8.370 nan 0.000 0.521 329 H N -0.603 118.461 119.070 -0.011 0.000 5.117 329 H HA -0.221 4.335 4.556 -0.000 0.000 0.074 329 H C 1.904 177.226 175.328 -0.011 0.000 0.550 329 H CA 1.336 57.380 56.048 -0.005 0.000 1.091 329 H CB -1.658 28.108 29.762 0.007 0.000 0.520 329 H HN 0.225 nan 8.280 nan 0.000 0.712 330 V N 1.318 121.292 119.914 0.100 0.000 2.511 330 V HA -0.233 3.887 4.120 -0.000 0.000 0.257 330 V C 2.248 178.356 176.094 0.023 0.000 1.088 330 V CA 2.520 64.848 62.300 0.046 0.000 1.098 330 V CB -0.383 31.441 31.823 0.002 0.000 0.674 330 V HN 0.378 nan 8.190 nan 0.000 0.470 331 L N -1.372 119.857 121.223 0.009 0.000 2.858 331 L HA 0.197 4.537 4.340 -0.000 0.000 0.251 331 L C 1.604 178.476 176.870 0.004 0.000 1.149 331 L CA -0.101 54.735 54.840 -0.006 0.000 0.955 331 L CB 0.134 42.168 42.059 -0.042 0.000 1.289 331 L HN 0.198 nan 8.230 nan 0.000 0.542 332 D N 1.482 121.898 120.400 0.026 0.000 2.133 332 D HA -0.244 4.396 4.640 -0.000 0.000 0.192 332 D C 2.198 178.508 176.300 0.018 0.000 1.001 332 D CA 1.756 55.774 54.000 0.029 0.000 0.844 332 D CB 0.106 40.939 40.800 0.054 0.000 0.944 332 D HN 0.354 nan 8.370 nan 0.000 0.447 333 A N 0.408 123.240 122.820 0.019 0.000 1.858 333 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 333 A C 2.437 180.029 177.584 0.014 0.000 1.190 333 A CA 2.434 54.480 52.037 0.015 0.000 0.617 333 A CB -0.913 18.097 19.000 0.017 0.000 0.827 333 A HN 0.250 nan 8.150 nan 0.000 0.443 334 V N -3.927 115.995 119.914 0.013 0.000 3.041 334 V HA 0.282 4.402 4.120 -0.000 0.000 0.260 334 V C 0.703 176.801 176.094 0.007 0.000 1.105 334 V CA 1.089 63.395 62.300 0.011 0.000 1.125 334 V CB -0.353 31.476 31.823 0.010 0.000 0.730 334 V HN 0.343 nan 8.190 nan 0.000 0.479 335 L N 1.568 122.793 121.223 0.003 0.000 2.534 335 L HA 0.656 4.996 4.340 -0.000 0.000 0.259 335 L C -2.850 174.019 176.870 -0.003 0.000 1.108 335 L CA -1.820 53.023 54.840 0.006 0.000 0.905 335 L CB 1.402 43.458 42.059 -0.006 0.000 1.138 335 L HN -0.003 nan 8.230 nan 0.000 0.475 336 P HA 0.068 nan 4.420 nan 0.000 0.264 336 P C -2.094 175.202 177.300 -0.007 0.000 1.179 336 P CA -0.599 62.503 63.100 0.004 0.000 0.763 336 P CB 0.180 31.884 31.700 0.008 0.000 0.806 337 P HA -0.155 nan 4.420 nan 0.000 0.225 337 P C 0.711 178.002 177.300 -0.014 0.000 1.148 337 P CA 1.310 64.405 63.100 -0.008 0.000 0.779 337 P CB -0.194 31.513 31.700 0.011 0.000 0.780 338 D N -1.588 118.808 120.400 -0.007 0.000 2.340 338 D HA -0.035 4.605 4.640 -0.000 0.000 0.220 338 D C 0.362 176.654 176.300 -0.013 0.000 1.039 338 D CA 0.204 54.199 54.000 -0.007 0.000 0.866 338 D CB -0.115 40.686 40.800 0.001 0.000 0.913 338 D HN 0.089 nan 8.370 nan 0.000 0.523 339 I N 3.287 123.843 120.570 -0.023 0.000 2.352 339 I HA 0.191 4.361 4.170 -0.000 0.000 0.290 339 I C -2.040 174.023 176.117 -0.089 0.000 1.036 339 I CA -2.537 58.745 61.300 -0.029 0.000 1.336 339 I CB 0.675 38.667 38.000 -0.012 0.000 1.407 339 I HN -0.145 nan 8.210 nan 0.000 0.497 340 P HA 0.239 nan 4.420 nan 0.000 0.276 340 P C -0.708 176.447 177.300 -0.241 0.000 1.243 340 P CA -0.285 62.751 63.100 -0.107 0.000 0.768 340 P CB 1.183 32.857 31.700 -0.044 0.000 0.856 341 I N 6.244 126.679 120.570 -0.226 0.000 2.306 341 I HA 0.246 4.416 4.170 -0.000 0.000 0.288 341 I C -1.163 174.958 176.117 0.007 0.000 1.036 341 I CA -2.464 58.657 61.300 -0.297 0.000 1.221 341 I CB 0.499 38.360 38.000 -0.232 0.000 1.385 341 I HN 0.274 nan 8.210 nan 0.000 0.472 342 P HA 0.335 nan 4.420 nan 0.000 0.293 342 P C -0.405 177.034 177.300 0.232 0.000 1.304 342 P CA -0.375 62.803 63.100 0.129 0.000 0.767 342 P CB 1.084 32.853 31.700 0.116 0.000 1.247 343 S N -0.471 115.298 115.700 0.115 0.000 2.549 343 S HA 0.463 4.933 4.470 -0.000 0.000 0.297 343 S C 0.046 174.620 174.600 -0.043 0.000 1.115 343 S CA -0.566 57.675 58.200 0.068 0.000 1.059 343 S CB 0.482 63.712 63.200 0.050 0.000 1.046 343 S HN 0.213 nan 8.310 nan 0.000 0.506 344 I N 2.997 123.469 120.570 -0.162 0.000 2.287 344 I HA 0.251 4.421 4.170 -0.000 0.000 0.290 344 I C 1.423 177.485 176.117 -0.092 0.000 1.069 344 I CA -0.622 60.575 61.300 -0.173 0.000 1.237 344 I CB -0.311 37.498 38.000 -0.319 0.000 1.418 344 I HN 0.809 nan 8.210 nan 0.000 0.481 345 A N 5.922 128.709 122.820 -0.055 0.000 1.915 345 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 345 A C 1.982 179.550 177.584 -0.027 0.000 1.198 345 A CA 2.014 54.030 52.037 -0.035 0.000 0.647 345 A CB -0.336 18.647 19.000 -0.028 0.000 0.825 345 A HN 0.676 nan 8.150 nan 0.000 0.456 346 E N -0.452 119.730 120.200 -0.030 0.000 2.051 346 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 346 E C 1.956 178.553 176.600 -0.005 0.000 0.991 346 E CA 1.322 57.715 56.400 -0.011 0.000 0.799 346 E CB -0.615 29.080 29.700 -0.009 0.000 0.748 346 E HN 0.382 nan 8.360 nan 0.000 0.449 347 V N 1.264 121.159 119.914 -0.031 0.000 2.427 347 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 347 V C 2.200 178.306 176.094 0.019 0.000 1.051 347 V CA 1.520 63.812 62.300 -0.013 0.000 1.048 347 V CB -0.512 31.275 31.823 -0.060 0.000 0.666 347 V HN 0.247 nan 8.190 nan 0.000 0.456 348 Q N 0.110 119.916 119.800 0.009 0.000 2.084 348 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 348 Q C 2.432 178.471 176.000 0.065 0.000 0.978 348 Q CA 1.523 57.347 55.803 0.036 0.000 0.844 348 Q CB -0.359 28.385 28.738 0.010 0.000 0.898 348 Q HN 0.607 nan 8.270 nan 0.000 0.426 349 R N 0.432 120.958 120.500 0.044 0.000 2.083 349 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 349 R C 2.363 178.733 176.300 0.116 0.000 1.137 349 R CA 1.323 57.469 56.100 0.077 0.000 0.951 349 R CB -0.524 29.803 30.300 0.045 0.000 0.851 349 R HN 0.250 nan 8.270 nan 0.000 0.434 350 A N 1.285 124.150 122.820 0.074 0.000 1.873 350 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 350 A C 2.053 179.674 177.584 0.063 0.000 1.193 350 A CA 1.348 53.422 52.037 0.061 0.000 0.629 350 A CB -0.529 18.500 19.000 0.049 0.000 0.826 350 A HN 0.110 nan 8.150 nan 0.000 0.447 351 L N -2.002 119.266 121.223 0.074 0.000 2.083 351 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 351 L C 2.363 179.278 176.870 0.076 0.000 1.083 351 L CA 1.917 56.795 54.840 0.062 0.000 0.752 351 L CB -1.726 40.380 42.059 0.078 0.000 0.899 351 L HN 0.633 nan 8.230 nan 0.000 0.433 352 Y N 0.996 121.292 120.300 -0.007 0.000 2.133 352 Y HA -0.229 4.321 4.550 -0.000 0.000 0.287 352 Y C 2.394 178.289 175.900 -0.009 0.000 1.134 352 Y CA 1.748 59.844 58.100 -0.006 0.000 1.133 352 Y CB -0.040 38.421 38.460 0.001 0.000 0.987 352 Y HN 0.244 nan 8.280 nan 0.000 0.502 353 D N 0.090 120.550 120.400 0.100 0.000 2.117 353 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 353 D C 2.256 178.516 176.300 -0.067 0.000 0.987 353 D CA 1.432 55.433 54.000 0.001 0.000 0.829 353 D CB -0.651 40.189 40.800 0.067 0.000 0.961 353 D HN 0.469 nan 8.370 nan 0.000 0.460 354 A N 0.295 123.087 122.820 -0.045 0.000 1.972 354 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 354 A C 2.295 179.810 177.584 -0.114 0.000 1.169 354 A CA 1.839 53.836 52.037 -0.065 0.000 0.635 354 A CB -0.720 18.249 19.000 -0.052 0.000 0.810 354 A HN 0.214 nan 8.150 nan 0.000 0.446 355 T N -0.449 114.008 114.554 -0.161 0.000 2.951 355 T HA -0.044 4.306 4.350 -0.000 0.000 0.268 355 T C 1.876 176.472 174.700 -0.174 0.000 1.073 355 T CA 1.423 63.402 62.100 -0.201 0.000 1.134 355 T CB -0.047 68.687 68.868 -0.224 0.000 0.884 355 T HN 0.527 nan 8.240 nan 0.000 0.479 356 K N 0.804 121.073 120.400 -0.218 0.000 1.991 356 K HA 0.103 4.423 4.320 -0.000 0.000 0.207 356 K C 2.230 178.776 176.600 -0.089 0.000 1.045 356 K CA 0.924 57.107 56.287 -0.173 0.000 0.937 356 K CB -0.328 32.057 32.500 -0.192 0.000 0.720 356 K HN 0.234 nan 8.250 nan 0.000 0.438 357 L N 0.762 121.941 121.223 -0.073 0.000 1.970 357 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 357 L C 2.372 179.222 176.870 -0.033 0.000 1.071 357 L CA 1.198 56.014 54.840 -0.041 0.000 0.751 357 L CB -0.646 41.395 42.059 -0.031 0.000 0.889 357 L HN 0.011 nan 8.230 nan 0.000 0.432 358 V N -1.466 118.420 119.914 -0.045 0.000 2.667 358 V HA -0.162 3.958 4.120 -0.000 0.000 0.252 358 V C 2.143 178.233 176.094 -0.006 0.000 1.065 358 V CA 1.575 63.855 62.300 -0.033 0.000 1.083 358 V CB -0.015 31.773 31.823 -0.058 0.000 0.692 358 V HN 0.382 nan 8.190 nan 0.000 0.468 359 S N -0.727 114.970 115.700 -0.006 0.000 2.763 359 S HA 0.366 4.835 4.470 -0.000 0.000 0.237 359 S C 1.314 175.932 174.600 0.029 0.000 0.966 359 S CA 0.609 58.837 58.200 0.047 0.000 1.017 359 S CB -0.877 62.373 63.200 0.084 0.000 0.780 359 S HN 0.882 nan 8.310 nan 0.000 0.476 360 G N 2.085 110.892 108.800 0.012 0.000 2.595 360 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.297 360 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.297 360 G C -0.046 174.853 174.900 -0.002 0.000 1.181 360 G CA 0.015 45.120 45.100 0.008 0.000 0.963 360 G HN 0.602 nan 8.290 nan 0.000 0.541 361 R N 2.173 122.674 120.500 0.001 0.000 4.642 361 R HA 0.077 4.417 4.340 -0.000 0.000 0.146 361 R C -2.299 173.992 176.300 -0.015 0.000 0.272 361 R CA 0.795 56.892 56.100 -0.005 0.000 0.889 361 R CB -0.190 30.108 30.300 -0.004 0.000 0.978 361 R HN 0.300 nan 8.270 nan 0.000 0.252 362 P HA 0.175 nan 4.420 nan 0.000 0.273 362 P C 0.325 177.619 177.300 -0.010 0.000 1.428 362 P CA 0.343 63.434 63.100 -0.015 0.000 0.995 362 P CB 1.430 33.126 31.700 -0.007 0.000 1.286 363 G N 2.932 111.721 108.800 -0.019 0.000 2.350 363 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.085 363 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.085 363 G C 0.389 175.293 174.900 0.008 0.000 1.159 363 G CA -0.242 44.858 45.100 0.001 0.000 1.146 363 G HN 0.311 nan 8.290 nan 0.000 0.449 364 E N 0.946 121.159 120.200 0.023 0.000 2.250 364 E HA 0.009 4.359 4.350 -0.000 0.000 0.192 364 E C 2.058 178.671 176.600 0.023 0.000 0.986 364 E CA 1.444 57.868 56.400 0.039 0.000 0.849 364 E CB -0.026 29.698 29.700 0.039 0.000 0.797 364 E HN 0.527 nan 8.360 nan 0.000 0.482 365 E N 0.535 120.739 120.200 0.007 0.000 2.501 365 E HA -0.133 4.217 4.350 -0.000 0.000 0.203 365 E C 1.962 178.559 176.600 -0.006 0.000 1.072 365 E CA 0.842 57.242 56.400 0.001 0.000 0.885 365 E CB -0.830 28.869 29.700 -0.002 0.000 0.813 365 E HN 0.255 nan 8.360 nan 0.000 0.556 366 V N -1.119 118.785 119.914 -0.017 0.000 2.548 366 V HA -0.149 3.971 4.120 -0.000 0.000 0.249 366 V C 1.872 177.968 176.094 0.004 0.000 1.055 366 V CA 1.299 63.578 62.300 -0.035 0.000 1.065 366 V CB -0.414 31.324 31.823 -0.142 0.000 0.681 366 V HN 0.057 nan 8.190 nan 0.000 0.462 367 K N 0.174 120.592 120.400 0.030 0.000 2.520 367 K HA -0.159 4.161 4.320 -0.000 0.000 0.197 367 K C 2.109 178.716 176.600 0.012 0.000 1.044 367 K CA 1.659 57.970 56.287 0.040 0.000 0.938 367 K CB -0.129 32.399 32.500 0.047 0.000 0.767 367 K HN 0.692 nan 8.250 nan 0.000 0.481 368 Q N -1.202 118.597 119.800 -0.002 0.000 2.396 368 Q HA 0.009 4.349 4.340 -0.000 0.000 0.209 368 Q C 1.635 177.614 176.000 -0.036 0.000 0.906 368 Q CA 0.347 56.137 55.803 -0.021 0.000 0.927 368 Q CB 0.485 29.209 28.738 -0.024 0.000 1.069 368 Q HN 0.020 nan 8.270 nan 0.000 0.523 369 R N -0.168 120.321 120.500 -0.018 0.000 2.287 369 R HA 0.196 4.536 4.340 -0.000 0.000 0.197 369 R C -0.348 175.960 176.300 0.013 0.000 0.900 369 R CA 0.163 56.245 56.100 -0.029 0.000 1.052 369 R CB 0.542 30.848 30.300 0.011 0.000 1.117 369 R HN 0.052 nan 8.270 nan 0.000 0.568 370 L N 0.927 122.181 121.223 0.052 0.000 2.329 370 L HA 0.614 4.954 4.340 -0.000 0.000 0.279 370 L C -1.307 175.595 176.870 0.052 0.000 1.014 370 L CA -0.747 54.147 54.840 0.089 0.000 0.814 370 L CB 1.624 43.739 42.059 0.093 0.000 1.257 370 L HN -0.042 nan 8.230 nan 0.000 0.424 371 R N 2.233 122.754 120.500 0.035 0.000 2.513 371 R HA 0.609 4.949 4.340 -0.000 0.000 0.301 371 R C -1.401 174.875 176.300 -0.039 0.000 0.968 371 R CA -0.276 55.819 56.100 -0.009 0.000 0.872 371 R CB 1.567 31.844 30.300 -0.038 0.000 1.177 371 R HN 0.718 nan 8.270 nan 0.000 0.444 372 T N 2.830 117.339 114.554 -0.074 0.000 2.744 372 T HA 0.773 5.123 4.350 -0.000 0.000 0.291 372 T C -0.278 174.171 174.700 -0.418 0.000 0.957 372 T CA 0.124 62.118 62.100 -0.177 0.000 1.002 372 T CB 1.346 70.144 68.868 -0.116 0.000 0.919 372 T HN 0.754 nan 8.240 nan 0.000 0.468 373 G N 1.800 110.229 108.800 -0.619 0.000 2.490 373 G HA2 0.495 4.454 3.960 -0.000 0.000 0.308 373 G HA3 0.495 4.454 3.960 -0.000 0.000 0.308 373 G C -1.041 173.522 174.900 -0.563 0.000 1.286 373 G CA -0.676 43.911 45.100 -0.855 0.000 0.825 373 G HN 0.519 nan 8.290 nan 0.000 0.479 374 T N 0.413 114.866 114.554 -0.170 0.000 2.817 374 T HA 0.537 4.887 4.350 -0.000 0.000 0.293 374 T C -0.038 174.571 174.700 -0.152 0.000 0.964 374 T CA -0.066 62.010 62.100 -0.040 0.000 1.085 374 T CB 1.320 70.212 68.868 0.041 0.000 0.921 374 T HN 0.463 nan 8.240 nan 0.000 0.502 375 V N 4.072 123.872 119.914 -0.189 0.000 2.581 375 V HA 0.432 4.552 4.120 -0.000 0.000 0.303 375 V C -0.014 175.997 176.094 -0.137 0.000 1.041 375 V CA -0.807 61.397 62.300 -0.159 0.000 0.907 375 V CB 1.988 33.754 31.823 -0.095 0.000 0.994 375 V HN 0.652 nan 8.190 nan 0.000 0.442 376 V N 3.260 123.028 119.914 -0.244 0.000 2.394 376 V HA 0.413 4.533 4.120 -0.000 0.000 0.282 376 V C 0.320 176.291 176.094 -0.205 0.000 1.031 376 V CA -0.186 61.943 62.300 -0.285 0.000 0.881 376 V CB 1.640 33.102 31.823 -0.603 0.000 0.982 376 V HN 0.960 nan 8.190 nan 0.000 0.451 377 T N 3.721 118.202 114.554 -0.122 0.000 2.779 377 T HA 0.510 4.860 4.350 -0.000 0.000 0.280 377 T C -0.065 174.553 174.700 -0.136 0.000 0.987 377 T CA -0.160 61.875 62.100 -0.108 0.000 0.966 377 T CB 1.444 70.269 68.868 -0.072 0.000 0.933 377 T HN 0.818 nan 8.240 nan 0.000 0.442 378 T N 1.006 115.482 114.554 -0.129 0.000 2.916 378 T HA 0.418 4.768 4.350 -0.000 0.000 0.292 378 T C -0.139 174.521 174.700 -0.067 0.000 1.055 378 T CA -0.835 61.198 62.100 -0.112 0.000 1.009 378 T CB 1.296 70.118 68.868 -0.076 0.000 1.118 378 T HN 0.618 nan 8.240 nan 0.000 0.497 379 D N 1.135 121.490 120.400 -0.074 0.000 2.402 379 D HA 0.146 4.786 4.640 -0.000 0.000 0.216 379 D C -0.158 176.181 176.300 0.065 0.000 1.128 379 D CA -0.218 53.774 54.000 -0.013 0.000 0.833 379 D CB 0.233 41.016 40.800 -0.029 0.000 0.971 379 D HN 0.361 nan 8.370 nan 0.000 0.503 380 D N 0.923 121.390 120.400 0.111 0.000 2.472 380 D HA 0.157 4.797 4.640 -0.000 0.000 0.234 380 D C 1.209 177.666 176.300 0.261 0.000 1.088 380 D CA -0.575 53.531 54.000 0.178 0.000 0.882 380 D CB 1.161 42.089 40.800 0.213 0.000 1.037 380 D HN -0.096 nan 8.370 nan 0.000 0.520 381 R N 2.834 123.447 120.500 0.188 0.000 2.159 381 R HA -0.018 4.322 4.340 -0.000 0.000 0.237 381 R C 0.266 176.655 176.300 0.149 0.000 1.131 381 R CA 1.128 57.345 56.100 0.196 0.000 0.982 381 R CB 0.112 30.482 30.300 0.115 0.000 0.868 381 R HN 0.202 nan 8.270 nan 0.000 0.453 382 N N 0.948 119.702 118.700 0.089 0.000 2.558 382 N HA -0.015 4.725 4.740 -0.000 0.000 0.281 382 N C 0.329 175.815 175.510 -0.039 0.000 1.219 382 N CA 0.031 53.053 53.050 -0.047 0.000 0.942 382 N CB 0.056 38.524 38.487 -0.032 0.000 1.241 382 N HN 0.425 nan 8.380 nan 0.000 0.511 383 W N 0.767 122.103 121.300 0.060 0.000 2.364 383 W HA -0.126 4.534 4.660 -0.000 0.000 0.281 383 W C 0.516 177.075 176.519 0.067 0.000 1.219 383 W CA 0.426 57.817 57.345 0.077 0.000 1.220 383 W CB -0.620 28.916 29.460 0.127 0.000 1.127 383 W HN 0.060 nan 8.180 nan 0.000 0.556 384 E N 1.431 121.088 120.200 -0.905 0.000 2.171 384 E HA -0.177 4.172 4.350 -0.000 0.000 0.197 384 E C 2.237 178.683 176.600 -0.257 0.000 0.997 384 E CA 1.912 57.828 56.400 -0.806 0.000 0.810 384 E CB -0.739 28.429 29.700 -0.888 0.000 0.738 384 E HN 0.310 nan 8.360 nan 0.000 0.467 385 L N -0.017 121.105 121.223 -0.169 0.000 2.549 385 L HA -0.042 4.298 4.340 -0.000 0.000 0.229 385 L C 1.128 177.996 176.870 -0.003 0.000 1.158 385 L CA 0.791 55.589 54.840 -0.070 0.000 0.842 385 L CB -0.053 41.976 42.059 -0.051 0.000 0.952 385 L HN 0.006 nan 8.230 nan 0.000 0.452 386 R N -2.079 118.450 120.500 0.048 0.000 2.698 386 R HA 0.048 4.388 4.340 -0.000 0.000 0.422 386 R C 0.784 177.139 176.300 0.091 0.000 1.073 386 R CA -0.248 55.892 56.100 0.066 0.000 1.054 386 R CB 0.286 30.633 30.300 0.077 0.000 1.373 386 R HN 0.016 nan 8.270 nan 0.000 0.593 387 Y N 2.144 122.432 120.300 -0.020 0.000 2.081 387 Y HA -0.335 4.215 4.550 -0.000 0.000 0.280 387 Y C 2.346 178.183 175.900 -0.105 0.000 1.163 387 Y CA 2.270 60.344 58.100 -0.043 0.000 1.135 387 Y CB -0.311 38.124 38.460 -0.042 0.000 0.970 387 Y HN 0.163 nan 8.280 nan 0.000 0.498 388 S N 0.442 115.956 115.700 -0.310 0.000 2.372 388 S HA -0.322 4.148 4.470 -0.000 0.000 0.227 388 S C 2.260 176.667 174.600 -0.323 0.000 1.044 388 S CA 1.618 59.592 58.200 -0.376 0.000 1.050 388 S CB -1.456 61.647 63.200 -0.161 0.000 0.901 388 S HN 0.567 nan 8.310 nan 0.000 0.447 389 A N 1.051 123.756 122.820 -0.191 0.000 2.015 389 A HA 0.086 4.406 4.320 -0.000 0.000 0.219 389 A C 2.337 179.831 177.584 -0.150 0.000 1.163 389 A CA 1.614 53.576 52.037 -0.126 0.000 0.646 389 A CB -0.681 18.291 19.000 -0.048 0.000 0.806 389 A HN 0.551 nan 8.150 nan 0.000 0.448 390 S N -0.962 114.586 115.700 -0.254 0.000 2.475 390 S HA 0.275 4.745 4.470 -0.000 0.000 0.224 390 S C 2.243 176.554 174.600 -0.481 0.000 1.042 390 S CA 0.518 58.538 58.200 -0.300 0.000 0.935 390 S CB -0.161 62.804 63.200 -0.392 0.000 0.801 390 S HN 0.767 nan 8.310 nan 0.000 0.509 391 A N 2.234 124.612 122.820 -0.736 0.000 1.929 391 A HA -0.234 4.086 4.320 -0.000 0.000 0.221 391 A C 2.077 179.548 177.584 -0.188 0.000 1.211 391 A CA 2.024 53.668 52.037 -0.655 0.000 0.657 391 A CB -1.053 17.412 19.000 -0.892 0.000 0.827 391 A HN 0.447 nan 8.150 nan 0.000 0.462 392 L N -0.415 120.720 121.223 -0.147 0.000 1.990 392 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 392 L C 2.547 179.447 176.870 0.051 0.000 1.072 392 L CA 2.512 57.332 54.840 -0.035 0.000 0.755 392 L CB -0.531 41.505 42.059 -0.039 0.000 0.889 392 L HN 0.415 nan 8.230 nan 0.000 0.432 393 R N -1.767 118.787 120.500 0.090 0.000 2.092 393 R HA -0.133 4.207 4.340 -0.000 0.000 0.231 393 R C 2.184 178.634 176.300 0.249 0.000 1.119 393 R CA 1.401 57.592 56.100 0.152 0.000 0.970 393 R CB -0.490 29.909 30.300 0.165 0.000 0.864 393 R HN 0.268 nan 8.270 nan 0.000 0.440 394 F N 1.281 121.228 119.950 -0.005 0.000 2.095 394 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 394 F C 2.222 178.035 175.800 0.022 0.000 1.104 394 F CA 1.087 59.095 58.000 0.013 0.000 1.232 394 F CB -0.900 38.142 39.000 0.071 0.000 0.987 394 F HN 0.148 nan 8.300 nan 0.000 0.475 395 N N 0.074 118.917 118.700 0.238 0.000 2.080 395 N HA -0.169 4.571 4.740 -0.000 0.000 0.189 395 N C 1.993 177.554 175.510 0.085 0.000 1.036 395 N CA 0.673 53.804 53.050 0.136 0.000 0.846 395 N CB -0.188 38.358 38.487 0.099 0.000 1.015 395 N HN 0.082 nan 8.380 nan 0.000 0.423 396 L N 1.454 122.723 121.223 0.075 0.000 2.081 396 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 396 L C 2.377 179.270 176.870 0.037 0.000 1.080 396 L CA 1.802 56.671 54.840 0.048 0.000 0.754 396 L CB -0.863 41.222 42.059 0.044 0.000 0.893 396 L HN 0.307 nan 8.230 nan 0.000 0.433 397 S N -1.590 114.132 115.700 0.037 0.000 2.593 397 S HA 0.031 4.501 4.470 -0.000 0.000 0.217 397 S C 0.779 175.384 174.600 0.007 0.000 0.966 397 S CA -0.368 57.837 58.200 0.009 0.000 0.914 397 S CB -0.111 63.078 63.200 -0.018 0.000 0.776 397 S HN 0.444 nan 8.310 nan 0.000 0.523 398 R N 0.450 120.964 120.500 0.024 0.000 3.525 398 R HA -0.128 4.212 4.340 -0.000 0.000 0.276 398 R C 0.331 176.625 176.300 -0.010 0.000 1.116 398 R CA 0.745 56.859 56.100 0.024 0.000 0.745 398 R CB -3.040 27.279 30.300 0.032 0.000 1.185 398 R HN 0.728 nan 8.270 nan 0.000 0.454 399 A N 0.073 122.862 122.820 -0.051 0.000 2.561 399 A HA 0.227 4.546 4.320 -0.000 0.000 0.234 399 A C 1.407 178.927 177.584 -0.107 0.000 1.055 399 A CA 0.615 52.564 52.037 -0.148 0.000 0.756 399 A CB 0.725 19.511 19.000 -0.357 0.000 0.986 399 A HN 0.179 nan 8.150 nan 0.000 0.505 400 V N 1.249 121.085 119.914 -0.130 0.000 3.572 400 V HA 0.525 4.645 4.120 -0.000 0.000 0.260 400 V C 0.850 176.886 176.094 -0.097 0.000 1.324 400 V CA 1.573 63.815 62.300 -0.096 0.000 1.068 400 V CB 0.059 31.814 31.823 -0.114 0.000 0.837 400 V HN 1.398 nan 8.190 nan 0.000 0.450 401 A N -0.293 122.442 122.820 -0.142 0.000 2.610 401 A HA 0.774 5.094 4.320 -0.000 0.000 0.291 401 A C -1.717 175.742 177.584 -0.209 0.000 1.086 401 A CA -0.378 51.584 52.037 -0.124 0.000 0.677 401 A CB 1.746 20.699 19.000 -0.079 0.000 1.278 401 A HN 0.176 nan 8.150 nan 0.000 0.414 402 I N 1.328 121.787 120.570 -0.185 0.000 2.534 402 I HA 0.541 4.711 4.170 -0.000 0.000 0.288 402 I C -1.665 174.370 176.117 -0.137 0.000 1.077 402 I CA -0.354 60.781 61.300 -0.276 0.000 1.051 402 I CB 1.604 39.297 38.000 -0.513 0.000 1.234 402 I HN 0.943 nan 8.210 nan 0.000 0.425 406 S N 1.503 117.171 115.700 -0.054 0.000 2.435 406 S HA -0.368 4.102 4.470 -0.000 0.000 0.250 406 S C 2.116 176.567 174.600 -0.248 0.000 1.065 406 S CA 2.306 60.510 58.200 0.005 0.000 1.243 406 S CB -0.811 62.523 63.200 0.223 0.000 1.158 406 S HN 0.475 nan 8.310 nan 0.000 0.430 407 A N 0.888 123.529 122.820 -0.299 0.000 1.927 407 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 407 A C 2.358 179.670 177.584 -0.452 0.000 1.185 407 A CA 2.462 54.142 52.037 -0.596 0.000 0.639 407 A CB -1.535 17.328 19.000 -0.228 0.000 0.820 407 A HN 0.588 nan 8.150 nan 0.000 0.451 408 T N 0.327 114.714 114.554 -0.279 0.000 2.746 408 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 408 T C 1.786 176.350 174.700 -0.227 0.000 1.039 408 T CA 1.370 63.334 62.100 -0.227 0.000 1.142 408 T CB -0.273 68.481 68.868 -0.189 0.000 0.866 408 T HN 0.322 nan 8.240 nan 0.000 0.444 409 I N 1.784 122.214 120.570 -0.233 0.000 2.226 409 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 409 I C 2.920 179.031 176.117 -0.010 0.000 1.100 409 I CA 1.110 62.325 61.300 -0.141 0.000 1.374 409 I CB -1.651 36.302 38.000 -0.079 0.000 1.057 409 I HN 0.195 nan 8.210 nan 0.000 0.413 410 A N 0.995 123.634 122.820 -0.301 0.000 1.858 410 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 410 A C 2.613 179.732 177.584 -0.776 0.000 1.190 410 A CA 2.209 53.812 52.037 -0.724 0.000 0.617 410 A CB -0.969 17.447 19.000 -0.973 0.000 0.827 410 A HN 0.402 nan 8.150 nan 0.000 0.443 411 A N -1.040 121.484 122.820 -0.493 0.000 1.873 411 A HA -0.252 4.067 4.320 -0.000 0.000 0.218 411 A C 2.135 179.620 177.584 -0.164 0.000 1.193 411 A CA 1.894 53.747 52.037 -0.305 0.000 0.629 411 A CB -0.623 18.233 19.000 -0.240 0.000 0.826 411 A HN 0.537 nan 8.150 nan 0.000 0.447 412 Q N -0.740 119.011 119.800 -0.082 0.000 2.084 412 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 412 Q C 2.256 178.403 176.000 0.246 0.000 0.978 412 Q CA 1.605 57.450 55.803 0.069 0.000 0.844 412 Q CB -0.953 27.965 28.738 0.300 0.000 0.898 412 Q HN 0.685 nan 8.270 nan 0.000 0.426 413 G N -0.081 108.913 108.800 0.323 0.000 2.418 413 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 413 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 413 G C 1.379 176.327 174.900 0.080 0.000 1.158 413 G CA 0.881 46.085 45.100 0.173 0.000 0.771 413 G HN 0.400 nan 8.290 nan 0.000 0.545 414 Y N 1.607 121.777 120.300 -0.217 0.000 2.097 414 Y HA -0.117 4.433 4.550 -0.000 0.000 0.282 414 Y C 3.042 178.872 175.900 -0.117 0.000 1.152 414 Y CA 2.032 60.092 58.100 -0.066 0.000 1.136 414 Y CB -0.197 38.158 38.460 -0.175 0.000 0.975 414 Y HN 0.038 nan 8.280 nan 0.000 0.498 415 R N -0.961 119.417 120.500 -0.202 0.000 2.105 415 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 415 R C 1.340 177.335 176.300 -0.509 0.000 1.135 415 R CA 1.639 57.458 56.100 -0.469 0.000 0.967 415 R CB -0.578 29.288 30.300 -0.722 0.000 0.861 415 R HN 0.356 nan 8.270 nan 0.000 0.442 416 F N 0.189 120.124 119.950 -0.025 0.000 2.641 416 F HA 0.250 4.777 4.527 -0.000 0.000 0.302 416 F C 0.153 175.805 175.800 -0.247 0.000 1.098 416 F CA -0.643 57.301 58.000 -0.092 0.000 1.318 416 F CB 0.033 39.090 39.000 0.095 0.000 1.035 416 F HN -0.209 nan 8.300 nan 0.000 0.551 417 R N -0.265 120.175 120.500 -0.099 0.000 3.267 417 R HA -0.123 4.217 4.340 -0.000 0.000 0.254 417 R C -1.465 174.758 176.300 -0.128 0.000 0.993 417 R CA 0.105 56.140 56.100 -0.109 0.000 0.670 417 R CB -2.528 27.697 30.300 -0.125 0.000 1.125 417 R HN 0.059 nan 8.270 nan 0.000 0.434 418 V N 0.566 120.361 119.914 -0.197 0.000 2.376 418 V HA 0.372 4.492 4.120 -0.000 0.000 0.287 418 V C -1.974 173.909 176.094 -0.352 0.000 1.015 418 V CA -2.213 59.831 62.300 -0.427 0.000 0.834 418 V CB 2.254 33.490 31.823 -0.979 0.000 1.001 418 V HN 0.008 nan 8.190 nan 0.000 0.428 419 P HA 0.089 nan 4.420 nan 0.000 0.263 419 P C -1.275 175.888 177.300 -0.229 0.000 1.175 419 P CA 0.539 63.439 63.100 -0.333 0.000 0.761 419 P CB 0.033 31.500 31.700 -0.387 0.000 0.794 420 Y N 0.657 120.917 120.300 -0.067 0.000 2.609 420 Y HA 0.907 5.457 4.550 -0.000 0.000 0.342 420 Y C -0.108 175.888 175.900 0.161 0.000 1.058 420 Y CA -1.437 56.720 58.100 0.095 0.000 1.055 420 Y CB 1.212 39.796 38.460 0.208 0.000 1.292 420 Y HN 0.558 nan 8.280 nan 0.000 0.476 421 G N -0.135 108.894 108.800 0.382 0.000 2.673 421 G HA2 0.535 4.495 3.960 -0.000 0.000 0.292 421 G HA3 0.535 4.495 3.960 -0.000 0.000 0.292 421 G C -1.945 173.152 174.900 0.328 0.000 1.450 421 G CA -1.046 44.230 45.100 0.293 0.000 0.837 421 G HN 0.672 nan 8.290 nan 0.000 0.505 422 T N 0.651 115.383 114.554 0.297 0.000 2.881 422 T HA 0.528 4.878 4.350 -0.000 0.000 0.291 422 T C -1.231 173.577 174.700 0.181 0.000 0.990 422 T CA -0.284 61.971 62.100 0.259 0.000 0.976 422 T CB 1.419 70.495 68.868 0.347 0.000 0.970 422 T HN 0.553 nan 8.240 nan 0.000 0.438 423 L N 5.428 126.755 121.223 0.173 0.000 2.442 423 L HA 0.573 4.913 4.340 -0.000 0.000 0.261 423 L C -1.128 175.925 176.870 0.304 0.000 1.000 423 L CA -0.400 54.549 54.840 0.181 0.000 0.882 423 L CB 0.394 42.535 42.059 0.137 0.000 1.207 423 L HN 0.576 nan 8.230 nan 0.000 0.443 424 L N 2.696 124.060 121.223 0.235 0.000 2.431 424 L HA 0.584 4.924 4.340 -0.000 0.000 0.260 424 L C -0.282 176.699 176.870 0.185 0.000 1.098 424 L CA -0.769 54.227 54.840 0.260 0.000 0.800 424 L CB 1.633 43.775 42.059 0.139 0.000 1.210 424 L HN 0.590 nan 8.230 nan 0.000 0.465 425 C N 1.203 120.603 119.300 0.165 0.000 2.396 425 C HA 0.523 4.982 4.460 -0.000 0.000 0.321 425 C C 0.068 175.072 174.990 0.023 0.000 1.233 425 C CA -0.614 58.426 59.018 0.036 0.000 1.440 425 C CB 0.843 28.600 27.740 0.030 0.000 2.110 425 C HN 0.493 nan 8.230 nan 0.000 0.473 426 V N 7.018 126.896 119.914 -0.059 0.000 2.458 426 V HA 0.123 4.243 4.120 -0.000 0.000 0.287 426 V C 1.381 177.381 176.094 -0.157 0.000 1.009 426 V CA 1.163 63.411 62.300 -0.086 0.000 1.091 426 V CB 0.708 32.477 31.823 -0.091 0.000 0.960 426 V HN 1.054 nan 8.190 nan 0.000 0.476 427 S N 1.961 117.483 115.700 -0.296 0.000 2.524 427 S HA 0.162 4.632 4.470 -0.000 0.000 0.215 427 S C 0.298 174.758 174.600 -0.233 0.000 0.986 427 S CA 0.185 58.051 58.200 -0.558 0.000 0.911 427 S CB -0.018 62.525 63.200 -1.096 0.000 0.805 427 S HN 0.959 nan 8.310 nan 0.000 0.501 428 D N -0.212 120.115 120.400 -0.121 0.000 2.807 428 D HA 0.153 4.793 4.640 -0.000 0.000 0.279 428 D C -1.928 174.371 176.300 -0.001 0.000 1.247 428 D CA -0.623 53.347 54.000 -0.050 0.000 0.749 428 D CB 0.516 41.285 40.800 -0.053 0.000 1.264 428 D HN 0.103 nan 8.370 nan 0.000 0.421 429 K N 0.787 121.203 120.400 0.027 0.000 2.592 429 K HA 0.360 4.680 4.320 -0.000 0.000 0.212 429 K C -2.153 174.519 176.600 0.120 0.000 1.013 429 K CA -1.618 54.721 56.287 0.087 0.000 1.034 429 K CB 2.284 34.815 32.500 0.051 0.000 1.292 429 K HN 0.041 nan 8.250 nan 0.000 0.521 430 P HA -0.184 nan 4.420 nan 0.000 0.216 430 P C 0.668 177.949 177.300 -0.031 0.000 1.150 430 P CA 0.915 64.049 63.100 0.058 0.000 0.843 430 P CB 0.281 32.116 31.700 0.225 0.000 0.787 431 L N -2.778 118.454 121.223 0.015 0.000 2.591 431 L HA 0.050 4.390 4.340 -0.000 0.000 0.228 431 L C 0.336 176.922 176.870 -0.473 0.000 1.133 431 L CA 1.124 55.807 54.840 -0.260 0.000 0.880 431 L CB -1.333 40.553 42.059 -0.289 0.000 1.033 431 L HN 0.078 nan 8.230 nan 0.000 0.450 432 H N -1.716 117.326 119.070 -0.047 0.000 2.624 432 H HA 0.504 5.059 4.556 -0.000 0.000 0.233 432 H C 1.421 176.726 175.328 -0.038 0.000 1.376 432 H CA -0.083 55.943 56.048 -0.037 0.000 1.137 432 H CB 0.198 29.944 29.762 -0.026 0.000 1.867 432 H HN 0.079 nan 8.280 nan 0.000 0.547 433 G N 0.749 109.553 108.800 0.007 0.000 2.238 433 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.270 433 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.270 433 G C 0.480 175.380 174.900 -0.001 0.000 0.977 433 G CA 0.595 45.691 45.100 -0.007 0.000 0.639 433 G HN 0.550 nan 8.290 nan 0.000 0.544 434 E N 0.416 120.627 120.200 0.019 0.000 2.360 434 E HA 0.425 4.775 4.350 -0.000 0.000 0.253 434 E C 0.270 176.868 176.600 -0.005 0.000 1.189 434 E CA -0.435 55.971 56.400 0.009 0.000 1.252 434 E CB 0.296 30.006 29.700 0.017 0.000 1.408 434 E HN 0.477 nan 8.360 nan 0.000 0.464 435 I N 2.977 123.530 120.570 -0.027 0.000 2.308 435 I HA 0.097 4.267 4.170 -0.000 0.000 0.293 435 I C 0.312 176.402 176.117 -0.044 0.000 1.078 435 I CA -0.194 61.079 61.300 -0.044 0.000 1.292 435 I CB 0.150 38.102 38.000 -0.081 0.000 1.423 435 I HN -0.007 nan 8.210 nan 0.000 0.493 436 K N 7.066 127.438 120.400 -0.047 0.000 2.156 436 K HA 0.676 4.996 4.320 -0.000 0.000 0.250 436 K C -0.693 175.850 176.600 -0.096 0.000 0.955 436 K CA -0.838 55.416 56.287 -0.057 0.000 0.855 436 K CB 2.606 35.080 32.500 -0.043 0.000 1.101 436 K HN 0.400 nan 8.250 nan 0.000 0.434 437 L N 2.249 123.412 121.223 -0.099 0.000 2.330 437 L HA 0.420 4.760 4.340 -0.000 0.000 0.271 437 L C -2.248 174.503 176.870 -0.198 0.000 1.013 437 L CA -2.129 52.630 54.840 -0.135 0.000 0.816 437 L CB 1.534 43.544 42.059 -0.082 0.000 1.287 437 L HN 0.289 nan 8.230 nan 0.000 0.435 438 P HA 0.215 nan 4.420 nan 0.000 0.271 438 P C 0.524 177.706 177.300 -0.198 0.000 1.233 438 P CA 0.518 63.316 63.100 -0.503 0.000 0.764 438 P CB 0.963 32.177 31.700 -0.811 0.000 0.825 439 G N 2.305 111.084 108.800 -0.034 0.000 2.436 439 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.204 439 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.204 439 G C 0.215 175.147 174.900 0.052 0.000 1.026 439 G CA -0.503 44.669 45.100 0.121 0.000 0.658 439 G HN 0.525 nan 8.290 nan 0.000 0.499 440 Q N 1.031 120.835 119.800 0.007 0.000 2.474 440 Q HA 0.516 4.856 4.340 -0.000 0.000 0.256 440 Q C 0.845 176.852 176.000 0.012 0.000 1.048 440 Q CA 0.127 55.930 55.803 0.001 0.000 0.922 440 Q CB 0.714 29.442 28.738 -0.016 0.000 1.288 440 Q HN 0.941 nan 8.270 nan 0.000 0.484 441 A N 2.541 125.363 122.820 0.003 0.000 2.545 441 A HA 0.042 4.362 4.320 -0.000 0.000 0.253 441 A C 0.130 177.720 177.584 0.011 0.000 1.074 441 A CA 0.294 52.331 52.037 -0.001 0.000 0.760 441 A CB -0.222 18.770 19.000 -0.013 0.000 1.005 441 A HN 0.682 nan 8.150 nan 0.000 0.506 442 N N 1.207 119.918 118.700 0.018 0.000 2.884 442 N HA 0.051 4.791 4.740 -0.000 0.000 0.211 442 N C 0.716 176.243 175.510 0.028 0.000 1.442 442 N CA -0.044 53.039 53.050 0.054 0.000 0.757 442 N CB 0.433 38.985 38.487 0.109 0.000 1.461 442 N HN 0.665 nan 8.380 nan 0.000 0.557 443 R N 0.169 120.628 120.500 -0.069 0.000 2.119 443 R HA -0.118 4.222 4.340 -0.000 0.000 0.246 443 R C 0.778 176.940 176.300 -0.230 0.000 1.146 443 R CA 1.785 57.764 56.100 -0.201 0.000 0.962 443 R CB -0.799 29.293 30.300 -0.347 0.000 0.863 443 R HN 0.324 nan 8.270 nan 0.000 0.442 444 F N -0.782 119.174 119.950 0.011 0.000 2.259 444 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 444 F C 2.284 178.113 175.800 0.049 0.000 1.088 444 F CA 0.996 59.002 58.000 0.011 0.000 1.358 444 F CB -0.244 38.757 39.000 0.002 0.000 1.040 444 F HN 0.035 nan 8.300 nan 0.000 0.505 445 Y N 1.282 121.650 120.300 0.112 0.000 2.153 445 Y HA -0.101 4.449 4.550 -0.000 0.000 0.289 445 Y C 2.330 178.263 175.900 0.056 0.000 1.119 445 Y CA 1.206 59.346 58.100 0.066 0.000 1.116 445 Y CB -0.808 37.671 38.460 0.032 0.000 1.004 445 Y HN -0.120 nan 8.280 nan 0.000 0.501 446 E N 0.259 120.309 120.200 -0.249 0.000 2.114 446 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 446 E C 2.374 178.835 176.600 -0.232 0.000 1.008 446 E CA 1.353 57.569 56.400 -0.305 0.000 0.810 446 E CB -0.986 28.628 29.700 -0.142 0.000 0.739 446 E HN 0.651 nan 8.360 nan 0.000 0.456 447 G N 0.923 109.637 108.800 -0.143 0.000 2.422 447 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 447 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 447 G C 1.699 176.562 174.900 -0.062 0.000 1.146 447 G CA 1.195 46.236 45.100 -0.100 0.000 0.769 447 G HN 0.408 nan 8.290 nan 0.000 0.547 448 A N 0.497 123.293 122.820 -0.041 0.000 2.066 448 A HA 0.206 4.526 4.320 -0.000 0.000 0.218 448 A C 2.294 179.915 177.584 0.062 0.000 1.157 448 A CA 0.630 52.691 52.037 0.041 0.000 0.670 448 A CB -0.252 18.793 19.000 0.074 0.000 0.804 448 A HN 0.372 nan 8.150 nan 0.000 0.453 449 I N -0.400 120.086 120.570 -0.139 0.000 2.143 449 I HA -0.321 3.848 4.170 -0.000 0.000 0.245 449 I C 2.844 178.920 176.117 -0.068 0.000 1.068 449 I CA 1.872 63.051 61.300 -0.202 0.000 1.326 449 I CB -0.316 37.370 38.000 -0.523 0.000 1.028 449 I HN 0.451 nan 8.210 nan 0.000 0.412 450 S N -0.011 115.651 115.700 -0.064 0.000 2.368 450 S HA -0.246 4.224 4.470 -0.000 0.000 0.224 450 S C 2.019 176.636 174.600 0.029 0.000 1.029 450 S CA 1.720 59.903 58.200 -0.029 0.000 0.988 450 S CB -0.232 62.945 63.200 -0.039 0.000 0.838 450 S HN 0.478 nan 8.310 nan 0.000 0.462 451 E N -0.182 120.067 120.200 0.082 0.000 2.077 451 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 451 E C 1.969 178.664 176.600 0.159 0.000 0.989 451 E CA 1.292 57.758 56.400 0.110 0.000 0.800 451 E CB -0.454 29.348 29.700 0.170 0.000 0.746 451 E HN 0.821 nan 8.360 nan 0.000 0.452 452 H N -0.192 118.974 119.070 0.160 0.000 2.289 452 H HA -0.183 4.373 4.556 -0.000 0.000 0.296 452 H C 2.390 177.772 175.328 0.090 0.000 1.091 452 H CA 1.358 57.509 56.048 0.171 0.000 1.274 452 H CB 0.038 30.076 29.762 0.461 0.000 1.364 452 H HN 0.227 nan 8.280 nan 0.000 0.490 453 L N 1.088 122.411 121.223 0.166 0.000 2.127 453 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 453 L C 2.168 178.965 176.870 -0.121 0.000 1.089 453 L CA 1.452 56.299 54.840 0.011 0.000 0.757 453 L CB -0.522 41.583 42.059 0.077 0.000 0.899 453 L HN 0.338 nan 8.230 nan 0.000 0.434 454 Q N -0.423 119.303 119.800 -0.123 0.000 2.172 454 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 454 Q C 2.350 178.259 176.000 -0.152 0.000 0.964 454 Q CA 1.697 57.374 55.803 -0.209 0.000 0.855 454 Q CB -0.185 28.459 28.738 -0.157 0.000 0.918 454 Q HN 0.618 nan 8.270 nan 0.000 0.444 455 I N -0.059 120.450 120.570 -0.103 0.000 2.226 455 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 455 I C 2.259 178.319 176.117 -0.095 0.000 1.100 455 I CA 1.261 62.493 61.300 -0.114 0.000 1.374 455 I CB -0.629 37.264 38.000 -0.179 0.000 1.057 455 I HN 0.199 nan 8.210 nan 0.000 0.413 456 G N 1.265 110.008 108.800 -0.095 0.000 2.418 456 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 456 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 456 G C 1.698 176.542 174.900 -0.094 0.000 1.158 456 G CA 0.581 45.627 45.100 -0.090 0.000 0.771 456 G HN 0.312 nan 8.290 nan 0.000 0.545 457 I N 0.264 120.741 120.570 -0.155 0.000 2.286 457 I HA -0.121 4.049 4.170 -0.000 0.000 0.248 457 I C 2.792 178.846 176.117 -0.104 0.000 1.115 457 I CA 1.154 62.349 61.300 -0.176 0.000 1.392 457 I CB -0.145 37.594 38.000 -0.435 0.000 1.065 457 I HN 0.088 nan 8.210 nan 0.000 0.418 458 R N 1.856 122.295 120.500 -0.102 0.000 2.092 458 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 458 R C 2.186 178.466 176.300 -0.034 0.000 1.119 458 R CA 1.781 57.848 56.100 -0.055 0.000 0.970 458 R CB -0.753 29.513 30.300 -0.055 0.000 0.864 458 R HN 0.316 nan 8.270 nan 0.000 0.440 459 A N 0.656 123.457 122.820 -0.033 0.000 1.908 459 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 459 A C 2.327 179.915 177.584 0.006 0.000 1.181 459 A CA 1.729 53.764 52.037 -0.004 0.000 0.627 459 A CB -0.633 18.370 19.000 0.006 0.000 0.818 459 A HN 0.388 nan 8.150 nan 0.000 0.445 460 I N -0.298 120.268 120.570 -0.006 0.000 2.226 460 I HA -0.237 3.932 4.170 -0.000 0.000 0.245 460 I C 1.938 177.975 176.117 -0.133 0.000 1.100 460 I CA 1.498 62.781 61.300 -0.028 0.000 1.374 460 I CB -0.521 37.466 38.000 -0.021 0.000 1.057 460 I HN 0.264 nan 8.210 nan 0.000 0.413 461 D N 0.965 121.314 120.400 -0.086 0.000 2.104 461 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 461 D C 2.348 178.612 176.300 -0.059 0.000 0.994 461 D CA 1.296 55.248 54.000 -0.079 0.000 0.830 461 D CB -0.347 40.447 40.800 -0.011 0.000 0.959 461 D HN 0.276 nan 8.370 nan 0.000 0.452 462 L N 0.166 121.375 121.223 -0.023 0.000 2.012 462 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 462 L C 2.630 179.511 176.870 0.018 0.000 1.073 462 L CA 0.813 55.655 54.840 0.003 0.000 0.748 462 L CB -0.449 41.620 42.059 0.016 0.000 0.891 462 L HN 0.064 nan 8.230 nan 0.000 0.431 463 L N -0.736 120.506 121.223 0.032 0.000 2.083 463 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 463 L C 2.841 179.784 176.870 0.122 0.000 1.083 463 L CA 1.073 55.970 54.840 0.095 0.000 0.752 463 L CB -0.523 41.630 42.059 0.156 0.000 0.899 463 L HN 0.251 nan 8.230 nan 0.000 0.433 464 R N 0.288 120.773 120.500 -0.026 0.000 2.096 464 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 464 R C 2.282 178.600 176.300 0.030 0.000 1.127 464 R CA 1.373 57.425 56.100 -0.080 0.000 0.968 464 R CB -0.159 29.843 30.300 -0.496 0.000 0.861 464 R HN 0.358 nan 8.270 nan 0.000 0.440 465 A N 0.928 123.751 122.820 0.005 0.000 1.930 465 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 465 A C 1.649 179.264 177.584 0.051 0.000 1.175 465 A CA 0.996 53.047 52.037 0.023 0.000 0.627 465 A CB -0.249 18.758 19.000 0.010 0.000 0.815 465 A HN 0.268 nan 8.150 nan 0.000 0.443 466 E N 0.100 120.340 120.200 0.066 0.000 2.533 466 E HA 0.042 4.392 4.350 -0.000 0.000 0.203 466 E C 1.553 178.212 176.600 0.099 0.000 1.101 466 E CA 0.558 57.004 56.400 0.075 0.000 0.894 466 E CB -0.929 28.819 29.700 0.080 0.000 0.843 466 E HN 0.628 nan 8.360 nan 0.000 0.552 467 G N 1.979 110.847 108.800 0.113 0.000 2.672 467 G HA2 -0.460 3.500 3.960 -0.000 0.000 0.324 467 G HA3 -0.460 3.500 3.960 -0.000 0.000 0.324 467 G C 0.844 175.842 174.900 0.163 0.000 1.286 467 G CA 0.840 46.018 45.100 0.129 0.000 1.004 467 G HN 0.414 nan 8.290 nan 0.000 0.548 468 D N -0.541 119.944 120.400 0.142 0.000 2.277 468 D HA 0.072 4.712 4.640 -0.000 0.000 0.208 468 D C 2.385 178.791 176.300 0.176 0.000 0.962 468 D CA 0.899 55.005 54.000 0.177 0.000 0.865 468 D CB -0.024 40.864 40.800 0.147 0.000 0.939 468 D HN 0.316 nan 8.370 nan 0.000 0.510 469 R N 0.027 120.600 120.500 0.120 0.000 2.200 469 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 469 R C 1.946 178.317 176.300 0.118 0.000 1.127 469 R CA 0.471 56.626 56.100 0.091 0.000 0.989 469 R CB -0.737 29.600 30.300 0.062 0.000 0.869 469 R HN 0.272 nan 8.270 nan 0.000 0.459 470 L N -0.120 121.205 121.223 0.171 0.000 1.990 470 L HA -0.159 4.181 4.340 -0.000 0.000 0.213 470 L C 0.016 176.956 176.870 0.116 0.000 1.072 470 L CA 1.810 56.742 54.840 0.152 0.000 0.755 470 L CB -0.742 41.444 42.059 0.212 0.000 0.889 470 L HN 0.215 nan 8.230 nan 0.000 0.432 471 H N -0.281 118.849 119.070 0.099 0.000 2.722 471 H HA 0.426 4.982 4.556 -0.000 0.000 0.328 471 H C 0.688 176.047 175.328 0.052 0.000 1.067 471 H CA 0.257 56.367 56.048 0.104 0.000 1.447 471 H CB 0.554 30.473 29.762 0.263 0.000 1.469 471 H HN 0.478 nan 8.280 nan 0.000 0.544 472 S N 2.287 118.042 115.700 0.093 0.000 2.786 472 S HA 0.497 4.967 4.470 -0.000 0.000 0.302 472 S C 0.673 175.294 174.600 0.036 0.000 1.080 472 S CA -1.052 57.171 58.200 0.037 0.000 0.925 472 S CB 1.633 64.832 63.200 -0.001 0.000 1.325 472 S HN 0.654 nan 8.310 nan 0.000 0.576 473 R N 0.112 120.615 120.500 0.005 0.000 2.509 473 R HA 0.298 4.638 4.340 -0.000 0.000 0.300 473 R C 0.960 177.257 176.300 -0.004 0.000 0.985 473 R CA -0.173 55.924 56.100 -0.005 0.000 1.092 473 R CB 0.083 30.364 30.300 -0.031 0.000 1.237 473 R HN 0.561 nan 8.270 nan 0.000 0.546 474 K N 0.541 120.947 120.400 0.010 0.000 2.439 474 K HA 0.002 4.322 4.320 -0.000 0.000 0.197 474 K C 1.134 177.769 176.600 0.058 0.000 1.041 474 K CA 0.831 57.141 56.287 0.038 0.000 0.970 474 K CB 0.254 32.781 32.500 0.044 0.000 0.773 474 K HN 0.204 nan 8.250 nan 0.000 0.479 475 L N 0.055 121.285 121.223 0.012 0.000 2.731 475 L HA 0.165 4.505 4.340 -0.000 0.000 0.240 475 L C 0.565 177.381 176.870 -0.090 0.000 1.120 475 L CA -0.326 54.478 54.840 -0.060 0.000 0.913 475 L CB 0.209 42.246 42.059 -0.035 0.000 1.213 475 L HN -0.013 nan 8.230 nan 0.000 0.515 476 R N 1.089 121.568 120.500 -0.035 0.000 2.590 476 R HA 0.190 4.530 4.340 -0.000 0.000 0.274 476 R C 0.392 176.669 176.300 -0.038 0.000 1.061 476 R CA 0.244 56.329 56.100 -0.024 0.000 1.081 476 R CB 0.801 31.081 30.300 -0.033 0.000 0.984 476 R HN 0.109 nan 8.270 nan 0.000 0.448 477 T N -1.513 113.045 114.554 0.006 0.000 2.922 477 T HA 0.286 4.636 4.350 -0.000 0.000 0.281 477 T C 0.946 175.705 174.700 0.098 0.000 1.005 477 T CA -0.745 61.412 62.100 0.095 0.000 0.982 477 T CB 0.431 69.376 68.868 0.128 0.000 1.158 477 T HN 0.324 nan 8.240 nan 0.000 0.566 478 F N 1.632 121.597 119.950 0.025 0.000 2.186 478 F HA 0.079 4.606 4.527 -0.000 0.000 0.299 478 F C 1.878 177.712 175.800 0.057 0.000 1.090 478 F CA 0.876 58.902 58.000 0.043 0.000 1.307 478 F CB -0.778 38.251 39.000 0.047 0.000 1.019 478 F HN 0.617 nan 8.300 nan 0.000 0.489 479 N N 0.001 118.853 118.700 0.255 0.000 2.378 479 N HA 0.048 4.788 4.740 -0.000 0.000 0.243 479 N C -0.354 175.211 175.510 0.092 0.000 1.137 479 N CA -0.147 53.007 53.050 0.173 0.000 0.862 479 N CB -0.571 38.004 38.487 0.147 0.000 1.116 479 N HN 0.032 nan 8.380 nan 0.000 0.499 480 E N 1.705 121.940 120.200 0.057 0.000 2.415 480 E HA 0.144 4.494 4.350 -0.000 0.000 0.260 480 E C -2.207 174.337 176.600 -0.094 0.000 1.016 480 E CA -1.598 54.799 56.400 -0.005 0.000 0.924 480 E CB 0.303 30.002 29.700 -0.002 0.000 0.961 480 E HN 0.259 nan 8.360 nan 0.000 0.459 481 P HA 0.022 nan 4.420 nan 0.000 0.269 481 P C -2.189 174.911 177.300 -0.334 0.000 1.209 481 P CA -0.906 62.009 63.100 -0.309 0.000 0.776 481 P CB 0.475 31.844 31.700 -0.552 0.000 0.876 482 P HA -0.112 nan 4.420 nan 0.000 0.216 482 P C 0.154 177.347 177.300 -0.177 0.000 1.150 482 P CA 1.270 64.008 63.100 -0.604 0.000 0.837 482 P CB -0.060 31.035 31.700 -1.008 0.000 0.786 483 F N -0.046 119.709 119.950 -0.324 0.000 2.429 483 F HA 0.209 4.736 4.527 -0.000 0.000 0.348 483 F C 1.649 177.423 175.800 -0.044 0.000 1.109 483 F CA -1.482 56.392 58.000 -0.209 0.000 1.232 483 F CB -0.506 38.414 39.000 -0.134 0.000 1.157 483 F HN -0.205 nan 8.300 nan 0.000 0.564 484 R N 0.000 120.560 120.500 0.100 0.000 2.786 484 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 484 R CA 0.000 56.140 56.100 0.066 0.000 0.921 484 R CB 0.000 30.004 30.300 -0.494 0.000 0.687 484 R HN 0.000 nan 8.270 nan 0.000 0.535