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 2e8g_1_B DATA FIRST_RESID 1 DATA SEQUENCE MWDTSKDYRL LVAEKSVELF IRTIEGAKFR GQWDKKRSIQ LAKEMIPDIQ DATA SEQUENCE ALRYSYIDPE ELVDTPQMKD LKEKAKGIIE ALGGEDWHHK FLSQASREDR DATA SEQUENCE EKVEEQVARI KFFLNTILNL DRRLKLGKIN DPVIAVDIVV GEVMSVGKHP DATA SEQUENCE SADRLLVTNV NIGERAVTVV TNDLTVKEGN RVAVALLPPR NFFGIVSEGM DATA SEQUENCE FLGAGEGVLK NVKGEIGGLP KGIPLEALNE TRNAVEAFLK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.451 176.300 0.251 0.000 1.140 1 M CA 0.000 55.405 55.300 0.175 0.000 0.988 1 M CB 0.000 32.679 32.600 0.131 0.000 1.302 2 W N 4.810 126.160 121.300 0.084 0.000 2.361 2 W HA 0.320 4.980 4.660 -0.000 0.000 0.309 2 W C -0.885 175.687 176.519 0.089 0.000 1.122 2 W CA 0.012 57.392 57.345 0.058 0.000 1.208 2 W CB 1.039 30.509 29.460 0.017 0.000 1.246 2 W HN 0.687 nan 8.180 nan 0.000 0.490 3 D N 4.263 124.330 120.400 -0.554 0.000 2.470 3 D HA -0.027 4.613 4.640 -0.000 0.000 0.226 3 D C 1.640 177.537 176.300 -0.672 0.000 1.196 3 D CA 0.246 54.007 54.000 -0.399 0.000 0.979 3 D CB 0.753 41.363 40.800 -0.316 0.000 1.059 3 D HN 0.436 nan 8.370 nan 0.000 0.515 4 T N -0.598 113.633 114.554 -0.540 0.000 2.929 4 T HA -0.200 4.150 4.350 -0.000 0.000 0.271 4 T C 1.851 176.244 174.700 -0.511 0.000 1.085 4 T CA 1.246 63.109 62.100 -0.395 0.000 1.125 4 T CB -0.185 68.470 68.868 -0.354 0.000 0.874 4 T HN 0.281 nan 8.240 nan 0.000 0.494 5 S N 2.230 117.540 115.700 -0.650 0.000 2.481 5 S HA -0.023 4.447 4.470 -0.000 0.000 0.231 5 S C 1.724 176.098 174.600 -0.377 0.000 0.996 5 S CA 0.495 58.354 58.200 -0.568 0.000 0.942 5 S CB -0.458 62.523 63.200 -0.365 0.000 0.768 5 S HN 0.876 nan 8.310 nan 0.000 0.520 6 K N 0.403 120.572 120.400 -0.384 0.000 2.387 6 K HA 0.244 4.564 4.320 -0.000 0.000 0.203 6 K C -0.178 176.091 176.600 -0.551 0.000 1.030 6 K CA -0.385 55.655 56.287 -0.412 0.000 1.099 6 K CB 0.014 32.287 32.500 -0.378 0.000 0.863 6 K HN 0.138 nan 8.250 nan 0.000 0.529 7 D N 1.179 121.341 120.400 -0.397 0.000 2.412 7 D HA -0.068 4.572 4.640 -0.000 0.000 0.257 7 D C 0.155 176.346 176.300 -0.181 0.000 1.217 7 D CA 0.122 53.995 54.000 -0.211 0.000 0.897 7 D CB 0.454 41.295 40.800 0.069 0.000 1.132 7 D HN 0.177 nan 8.370 nan 0.000 0.493 8 Y N 3.518 123.860 120.300 0.069 0.000 2.274 8 Y HA -0.135 4.415 4.550 -0.000 0.000 0.290 8 Y C 2.534 178.484 175.900 0.084 0.000 1.145 8 Y CA 0.743 58.886 58.100 0.070 0.000 1.203 8 Y CB -0.133 38.378 38.460 0.085 0.000 0.984 8 Y HN 0.390 nan 8.280 nan 0.000 0.533 9 R N 0.028 120.663 120.500 0.225 0.000 2.091 9 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 9 R C 2.044 178.402 176.300 0.096 0.000 1.136 9 R CA 1.748 57.936 56.100 0.147 0.000 0.959 9 R CB -0.602 29.763 30.300 0.109 0.000 0.856 9 R HN 0.350 nan 8.270 nan 0.000 0.437 10 L N 0.268 121.524 121.223 0.055 0.000 2.179 10 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 10 L C 2.245 179.125 176.870 0.018 0.000 1.096 10 L CA 0.760 55.606 54.840 0.010 0.000 0.779 10 L CB -0.309 41.720 42.059 -0.050 0.000 0.922 10 L HN 0.171 nan 8.230 nan 0.000 0.443 11 L N -0.954 120.284 121.223 0.025 0.000 2.056 11 L HA -0.174 4.165 4.340 -0.000 0.000 0.207 11 L C 2.543 179.484 176.870 0.117 0.000 1.078 11 L CA 0.811 55.675 54.840 0.040 0.000 0.749 11 L CB -0.543 41.538 42.059 0.037 0.000 0.901 11 L HN 0.034 nan 8.230 nan 0.000 0.433 12 V N 0.155 120.190 119.914 0.203 0.000 2.343 12 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 12 V C 2.776 179.040 176.094 0.284 0.000 1.051 12 V CA 1.820 64.319 62.300 0.333 0.000 1.036 12 V CB -0.914 31.128 31.823 0.366 0.000 0.654 12 V HN 0.487 nan 8.190 nan 0.000 0.451 13 A N -0.430 122.485 122.820 0.158 0.000 1.883 13 A HA -0.306 4.014 4.320 -0.000 0.000 0.217 13 A C 2.276 179.956 177.584 0.161 0.000 1.186 13 A CA 2.200 54.307 52.037 0.117 0.000 0.624 13 A CB -0.553 18.476 19.000 0.048 0.000 0.822 13 A HN 0.624 nan 8.150 nan 0.000 0.444 14 E N -0.571 119.700 120.200 0.118 0.000 2.051 14 E HA -0.249 4.101 4.350 -0.000 0.000 0.192 14 E C 2.037 178.712 176.600 0.126 0.000 0.991 14 E CA 1.611 58.072 56.400 0.102 0.000 0.799 14 E CB -0.080 29.649 29.700 0.048 0.000 0.748 14 E HN 0.479 nan 8.360 nan 0.000 0.449 15 K N 0.349 120.819 120.400 0.116 0.000 2.147 15 K HA -0.114 4.205 4.320 -0.000 0.000 0.205 15 K C 2.107 178.891 176.600 0.308 0.000 1.049 15 K CA 1.494 57.817 56.287 0.060 0.000 0.936 15 K CB -0.212 32.127 32.500 -0.268 0.000 0.722 15 K HN 0.163 nan 8.250 nan 0.000 0.446 16 S N -0.776 115.216 115.700 0.487 0.000 2.402 16 S HA -0.093 4.377 4.470 -0.000 0.000 0.229 16 S C 1.931 176.805 174.600 0.457 0.000 1.021 16 S CA 1.167 59.739 58.200 0.619 0.000 0.974 16 S CB -0.492 63.019 63.200 0.518 0.000 0.800 16 S HN 0.054 nan 8.310 nan 0.000 0.484 17 V N 2.365 122.483 119.914 0.340 0.000 2.295 17 V HA -0.169 3.950 4.120 -0.000 0.000 0.246 17 V C 2.830 178.972 176.094 0.079 0.000 1.049 17 V CA 2.197 64.588 62.300 0.152 0.000 1.024 17 V CB -0.983 30.954 31.823 0.190 0.000 0.648 17 V HN 0.660 nan 8.190 nan 0.000 0.447 18 E N 0.082 120.349 120.200 0.112 0.000 2.058 18 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 18 E C 2.217 178.862 176.600 0.075 0.000 0.997 18 E CA 1.852 58.294 56.400 0.071 0.000 0.801 18 E CB -0.194 29.537 29.700 0.052 0.000 0.746 18 E HN 0.422 nan 8.360 nan 0.000 0.450 19 L N 0.494 121.814 121.223 0.162 0.000 2.012 19 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 19 L C 2.228 179.153 176.870 0.092 0.000 1.073 19 L CA 1.892 56.845 54.840 0.187 0.000 0.748 19 L CB -0.876 41.412 42.059 0.383 0.000 0.891 19 L HN 0.289 nan 8.230 nan 0.000 0.431 20 F N 0.013 119.865 119.950 -0.162 0.000 2.095 20 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 20 F C 2.214 177.882 175.800 -0.221 0.000 1.104 20 F CA 1.989 59.763 58.000 -0.376 0.000 1.232 20 F CB -0.368 37.880 39.000 -1.253 0.000 0.987 20 F HN 0.095 nan 8.300 nan 0.000 0.475 21 I N 0.247 120.684 120.570 -0.221 0.000 2.163 21 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 21 I C 2.716 178.704 176.117 -0.216 0.000 1.085 21 I CA 1.774 62.935 61.300 -0.231 0.000 1.347 21 I CB -0.609 37.364 38.000 -0.045 0.000 1.044 21 I HN 0.127 nan 8.210 nan 0.000 0.408 22 R N 0.480 120.905 120.500 -0.124 0.000 2.096 22 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 22 R C 2.191 178.428 176.300 -0.106 0.000 1.127 22 R CA 1.973 58.023 56.100 -0.084 0.000 0.968 22 R CB -0.227 30.054 30.300 -0.033 0.000 0.861 22 R HN 0.278 nan 8.270 nan 0.000 0.440 23 T N 0.962 115.430 114.554 -0.143 0.000 2.770 23 T HA -0.096 4.254 4.350 -0.000 0.000 0.263 23 T C 1.682 176.286 174.700 -0.159 0.000 1.039 23 T CA 1.183 63.215 62.100 -0.114 0.000 1.142 23 T CB -0.122 68.705 68.868 -0.069 0.000 0.868 23 T HN 0.137 nan 8.240 nan 0.000 0.435 24 I N 1.270 121.629 120.570 -0.351 0.000 2.439 24 I HA -0.059 4.111 4.170 -0.000 0.000 0.251 24 I C 2.253 178.327 176.117 -0.071 0.000 1.139 24 I CA 1.125 62.278 61.300 -0.245 0.000 1.438 24 I CB -0.278 37.384 38.000 -0.562 0.000 1.085 24 I HN 0.263 nan 8.210 nan 0.000 0.427 25 E N -0.071 120.062 120.200 -0.112 0.000 2.130 25 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 25 E C 1.925 178.505 176.600 -0.034 0.000 0.998 25 E CA 1.205 57.570 56.400 -0.058 0.000 0.806 25 E CB -0.453 29.209 29.700 -0.064 0.000 0.738 25 E HN 0.612 nan 8.360 nan 0.000 0.459 26 G N 0.132 108.905 108.800 -0.045 0.000 3.141 26 G HA2 0.271 4.231 3.960 -0.000 0.000 0.218 26 G HA3 0.271 4.231 3.960 -0.000 0.000 0.218 26 G C 0.148 175.003 174.900 -0.074 0.000 1.170 26 G CA 0.178 45.246 45.100 -0.053 0.000 0.769 26 G HN 0.221 nan 8.290 nan 0.000 0.546 27 A N 0.359 123.167 122.820 -0.020 0.000 2.366 27 A HA 0.647 4.967 4.320 -0.000 0.000 0.272 27 A C 0.627 178.187 177.584 -0.039 0.000 1.135 27 A CA -0.401 51.594 52.037 -0.071 0.000 0.804 27 A CB 0.562 19.642 19.000 0.134 0.000 1.064 27 A HN 0.260 nan 8.150 nan 0.000 0.499 28 K N 2.079 122.266 120.400 -0.356 0.000 2.564 28 K HA 0.216 4.536 4.320 -0.000 0.000 0.205 28 K C -1.126 175.361 176.600 -0.188 0.000 1.053 28 K CA -0.154 56.025 56.287 -0.181 0.000 1.072 28 K CB 0.293 32.674 32.500 -0.197 0.000 0.822 28 K HN 0.633 nan 8.250 nan 0.000 0.497 29 F N 1.822 121.720 119.950 -0.086 0.000 2.607 29 F HA 0.011 4.538 4.527 -0.000 0.000 0.374 29 F C 1.253 177.178 175.800 0.207 0.000 1.104 29 F CA -0.115 57.759 58.000 -0.210 0.000 1.296 29 F CB 0.220 38.576 39.000 -1.074 0.000 1.085 29 F HN -0.144 nan 8.300 nan 0.000 0.584 30 R N 0.935 121.619 120.500 0.306 0.000 2.541 30 R HA 0.709 5.049 4.340 -0.000 0.000 0.263 30 R C 0.397 176.909 176.300 0.353 0.000 1.112 30 R CA 0.117 56.393 56.100 0.293 0.000 1.170 30 R CB 0.435 30.836 30.300 0.168 0.000 1.167 30 R HN 0.945 nan 8.270 nan 0.000 0.582 31 G N 0.133 109.106 108.800 0.289 0.000 2.757 31 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.638 31 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.638 31 G C -1.310 173.810 174.900 0.367 0.000 1.344 31 G CA -0.502 44.762 45.100 0.273 0.000 0.855 31 G HN 0.534 nan 8.290 nan 0.000 0.537 32 Q N 0.798 120.768 119.800 0.284 0.000 2.324 32 Q HA 0.539 4.879 4.340 -0.000 0.000 0.257 32 Q C 0.086 176.330 176.000 0.408 0.000 1.080 32 Q CA -0.014 55.947 55.803 0.262 0.000 0.907 32 Q CB 0.038 28.873 28.738 0.162 0.000 1.274 32 Q HN 1.083 nan 8.270 nan 0.000 0.434 33 W N 2.594 123.986 121.300 0.153 0.000 3.075 33 W HA 0.545 5.205 4.660 -0.000 0.000 0.334 33 W C -1.542 175.060 176.519 0.139 0.000 1.243 33 W CA -1.045 56.406 57.345 0.176 0.000 1.170 33 W CB 0.773 30.420 29.460 0.313 0.000 1.452 33 W HN 0.435 nan 8.180 nan 0.000 0.572 34 D N 2.409 122.868 120.400 0.099 0.000 2.432 34 D HA 0.154 4.794 4.640 -0.000 0.000 0.265 34 D C 0.849 177.035 176.300 -0.191 0.000 1.160 34 D CA -0.158 53.766 54.000 -0.127 0.000 0.911 34 D CB 1.295 42.096 40.800 0.002 0.000 1.052 34 D HN 0.524 nan 8.370 nan 0.000 0.508 35 K N 3.033 123.045 120.400 -0.647 0.000 2.002 35 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 35 K C 1.760 178.268 176.600 -0.152 0.000 1.048 35 K CA 0.996 56.955 56.287 -0.547 0.000 0.930 35 K CB 0.213 32.213 32.500 -0.834 0.000 0.714 35 K HN 0.179 nan 8.250 nan 0.000 0.438 36 K N 0.551 120.854 120.400 -0.161 0.000 2.044 36 K HA -0.260 4.060 4.320 -0.000 0.000 0.210 36 K C 2.318 178.915 176.600 -0.006 0.000 1.049 36 K CA 1.914 58.160 56.287 -0.068 0.000 0.927 36 K CB -0.167 32.288 32.500 -0.074 0.000 0.713 36 K HN -0.002 nan 8.250 nan 0.000 0.443 37 R N 0.958 121.458 120.500 -0.000 0.000 2.096 37 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 37 R C 2.287 178.646 176.300 0.099 0.000 1.127 37 R CA 2.206 58.331 56.100 0.042 0.000 0.968 37 R CB -0.620 29.703 30.300 0.037 0.000 0.861 37 R HN 0.373 nan 8.270 nan 0.000 0.440 38 S N -0.168 115.626 115.700 0.156 0.000 2.368 38 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 38 S C 2.080 176.886 174.600 0.343 0.000 1.030 38 S CA 1.466 59.841 58.200 0.292 0.000 0.999 38 S CB -0.506 62.977 63.200 0.473 0.000 0.844 38 S HN 0.403 nan 8.310 nan 0.000 0.459 39 I N 1.815 122.521 120.570 0.226 0.000 2.252 39 I HA -0.191 3.978 4.170 -0.000 0.000 0.245 39 I C 3.069 179.263 176.117 0.128 0.000 1.102 39 I CA 1.713 63.114 61.300 0.168 0.000 1.385 39 I CB -0.514 37.519 38.000 0.055 0.000 1.064 39 I HN 0.498 nan 8.210 nan 0.000 0.414 40 Q N 1.467 121.320 119.800 0.090 0.000 2.030 40 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 40 Q C 2.378 178.422 176.000 0.074 0.000 0.986 40 Q CA 1.857 57.699 55.803 0.065 0.000 0.843 40 Q CB -0.151 28.613 28.738 0.044 0.000 0.904 40 Q HN 0.497 nan 8.270 nan 0.000 0.420 41 L N 0.365 121.639 121.223 0.085 0.000 2.083 41 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 41 L C 2.660 179.583 176.870 0.089 0.000 1.083 41 L CA 0.958 55.842 54.840 0.073 0.000 0.752 41 L CB -0.633 41.462 42.059 0.060 0.000 0.899 41 L HN 0.342 nan 8.230 nan 0.000 0.433 42 A N 0.183 123.080 122.820 0.128 0.000 1.877 42 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 42 A C 2.333 179.988 177.584 0.118 0.000 1.186 42 A CA 1.767 53.889 52.037 0.141 0.000 0.620 42 A CB -0.381 18.751 19.000 0.220 0.000 0.822 42 A HN 0.305 nan 8.150 nan 0.000 0.443 43 K N -0.360 120.101 120.400 0.101 0.000 2.103 43 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 43 K C 1.861 178.500 176.600 0.065 0.000 1.048 43 K CA 1.488 57.820 56.287 0.075 0.000 0.930 43 K CB -0.160 32.375 32.500 0.058 0.000 0.716 43 K HN 0.582 nan 8.250 nan 0.000 0.444 44 E N 0.325 120.562 120.200 0.062 0.000 2.268 44 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 44 E C 1.836 178.467 176.600 0.052 0.000 0.995 44 E CA 0.776 57.206 56.400 0.050 0.000 0.836 44 E CB -0.009 29.716 29.700 0.042 0.000 0.763 44 E HN 0.368 nan 8.360 nan 0.000 0.491 45 M N 0.208 119.848 119.600 0.067 0.000 2.296 45 M HA -0.137 4.343 4.480 -0.000 0.000 0.265 45 M C 2.011 178.351 176.300 0.065 0.000 1.064 45 M CA 0.760 56.101 55.300 0.067 0.000 1.109 45 M CB -0.048 32.614 32.600 0.102 0.000 1.396 45 M HN 0.107 nan 8.290 nan 0.000 0.430 46 I N 0.566 121.178 120.570 0.070 0.000 2.127 46 I HA -0.173 3.997 4.170 -0.000 0.000 0.241 46 I C -0.449 175.704 176.117 0.061 0.000 1.075 46 I CA 1.774 63.115 61.300 0.068 0.000 1.334 46 I CB -2.745 35.294 38.000 0.066 0.000 1.040 46 I HN 0.119 nan 8.210 nan 0.000 0.405 47 P HA -0.102 nan 4.420 nan 0.000 0.218 47 P C 1.128 178.459 177.300 0.051 0.000 1.149 47 P CA 1.308 64.441 63.100 0.055 0.000 0.817 47 P CB 0.002 31.729 31.700 0.044 0.000 0.785 48 D N -0.511 119.913 120.400 0.041 0.000 2.084 48 D HA -0.114 4.526 4.640 -0.000 0.000 0.194 48 D C 2.024 178.339 176.300 0.025 0.000 0.990 48 D CA 1.083 55.101 54.000 0.030 0.000 0.826 48 D CB -0.757 40.056 40.800 0.021 0.000 0.971 48 D HN 0.186 nan 8.370 nan 0.000 0.453 49 I N 0.762 121.348 120.570 0.028 0.000 2.226 49 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 49 I C 2.498 178.615 176.117 0.000 0.000 1.100 49 I CA 1.056 62.364 61.300 0.013 0.000 1.374 49 I CB -0.234 37.782 38.000 0.027 0.000 1.057 49 I HN -0.017 nan 8.210 nan 0.000 0.413 50 Q N 0.515 120.341 119.800 0.043 0.000 2.124 50 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 50 Q C 2.489 178.564 176.000 0.125 0.000 0.977 50 Q CA 1.696 57.559 55.803 0.100 0.000 0.850 50 Q CB -0.264 28.579 28.738 0.175 0.000 0.901 50 Q HN 0.595 nan 8.270 nan 0.000 0.429 51 A N 0.956 123.830 122.820 0.090 0.000 1.883 51 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 51 A C 2.067 179.673 177.584 0.036 0.000 1.186 51 A CA 1.277 53.364 52.037 0.083 0.000 0.624 51 A CB -0.763 18.271 19.000 0.057 0.000 0.822 51 A HN 0.297 nan 8.150 nan 0.000 0.444 52 L N -1.197 120.022 121.223 -0.007 0.000 2.017 52 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 52 L C 2.854 179.646 176.870 -0.131 0.000 1.073 52 L CA 1.596 56.410 54.840 -0.044 0.000 0.745 52 L CB -0.526 41.510 42.059 -0.037 0.000 0.894 52 L HN 0.337 nan 8.230 nan 0.000 0.432 53 R N -0.909 119.461 120.500 -0.217 0.000 2.120 53 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 53 R C 1.314 177.186 176.300 -0.713 0.000 1.123 53 R CA 1.291 57.101 56.100 -0.484 0.000 0.975 53 R CB -0.169 29.758 30.300 -0.621 0.000 0.866 53 R HN 0.308 nan 8.270 nan 0.000 0.446 54 Y N -0.254 119.954 120.300 -0.155 0.000 2.571 54 Y HA 0.088 4.638 4.550 -0.000 0.000 0.275 54 Y C 1.969 177.864 175.900 -0.009 0.000 1.179 54 Y CA -0.184 57.851 58.100 -0.108 0.000 1.242 54 Y CB 0.281 38.761 38.460 0.034 0.000 1.126 54 Y HN 0.063 nan 8.280 nan 0.000 0.524 55 S N -1.476 114.211 115.700 -0.021 0.000 2.406 55 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 55 S C 0.572 175.292 174.600 0.200 0.000 1.030 55 S CA 0.579 58.834 58.200 0.092 0.000 0.958 55 S CB -0.658 62.565 63.200 0.040 0.000 0.811 55 S HN 0.462 nan 8.310 nan 0.000 0.489 56 Y N -0.382 119.962 120.300 0.073 0.000 4.177 56 Y HA -0.144 4.406 4.550 -0.000 0.000 0.227 56 Y C -0.009 175.955 175.900 0.107 0.000 1.154 56 Y CA 0.021 58.169 58.100 0.080 0.000 1.887 56 Y CB -2.501 35.995 38.460 0.060 0.000 1.594 56 Y HN 0.301 nan 8.280 nan 0.000 0.668 57 I N 0.756 121.425 120.570 0.165 0.000 2.566 57 I HA 0.220 4.390 4.170 -0.000 0.000 0.303 57 I C 0.585 176.786 176.117 0.140 0.000 0.983 57 I CA -0.581 60.798 61.300 0.131 0.000 1.235 57 I CB 0.471 38.517 38.000 0.076 0.000 1.386 57 I HN -0.038 nan 8.210 nan 0.000 0.494 58 D N 6.861 127.312 120.400 0.086 0.000 2.472 58 D HA 0.035 4.675 4.640 -0.000 0.000 0.237 58 D C -1.554 174.674 176.300 -0.119 0.000 1.141 58 D CA -1.012 52.977 54.000 -0.019 0.000 0.875 58 D CB 0.416 41.186 40.800 -0.050 0.000 1.192 58 D HN 0.259 nan 8.370 nan 0.000 0.450 59 P HA -0.133 nan 4.420 nan 0.000 0.216 59 P C 0.800 177.999 177.300 -0.168 0.000 1.150 59 P CA 1.217 64.157 63.100 -0.267 0.000 0.837 59 P CB 0.280 31.693 31.700 -0.480 0.000 0.786 60 E N -0.061 120.032 120.200 -0.178 0.000 2.153 60 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 60 E C 1.867 178.423 176.600 -0.073 0.000 0.988 60 E CA 1.040 57.371 56.400 -0.115 0.000 0.811 60 E CB -0.624 29.011 29.700 -0.109 0.000 0.746 60 E HN 0.445 nan 8.360 nan 0.000 0.466 61 E N 0.020 120.182 120.200 -0.062 0.000 2.371 61 E HA -0.017 4.333 4.350 -0.000 0.000 0.194 61 E C 1.742 178.328 176.600 -0.024 0.000 1.012 61 E CA 0.130 56.511 56.400 -0.033 0.000 0.860 61 E CB 0.071 29.761 29.700 -0.016 0.000 0.811 61 E HN 0.258 nan 8.360 nan 0.000 0.502 62 L N 0.451 121.656 121.223 -0.030 0.000 2.201 62 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 62 L C 2.261 179.116 176.870 -0.025 0.000 1.105 62 L CA 0.483 55.310 54.840 -0.021 0.000 0.775 62 L CB -0.246 41.800 42.059 -0.022 0.000 0.913 62 L HN 0.063 nan 8.230 nan 0.000 0.440 63 V N 0.613 120.506 119.914 -0.034 0.000 2.343 63 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 63 V C 0.967 177.045 176.094 -0.027 0.000 1.051 63 V CA 2.138 64.417 62.300 -0.034 0.000 1.036 63 V CB -0.734 31.065 31.823 -0.040 0.000 0.654 63 V HN 0.660 nan 8.190 nan 0.000 0.451 64 D N -1.154 119.233 120.400 -0.022 0.000 2.722 64 D HA 0.166 4.806 4.640 -0.000 0.000 0.239 64 D C 0.318 176.612 176.300 -0.011 0.000 1.249 64 D CA -0.000 53.990 54.000 -0.017 0.000 0.830 64 D CB 0.102 40.893 40.800 -0.016 0.000 1.025 64 D HN 0.211 nan 8.370 nan 0.000 0.486 65 T N -0.118 114.430 114.554 -0.010 0.000 2.928 65 T HA 0.258 4.608 4.350 -0.000 0.000 0.284 65 T C -1.658 173.040 174.700 -0.004 0.000 1.008 65 T CA -2.293 59.805 62.100 -0.003 0.000 1.057 65 T CB 1.343 70.210 68.868 -0.001 0.000 1.018 65 T HN -0.212 nan 8.240 nan 0.000 0.493 66 P HA -0.059 nan 4.420 nan 0.000 0.218 66 P C 1.203 178.503 177.300 -0.000 0.000 1.148 66 P CA 0.981 64.081 63.100 0.000 0.000 0.822 66 P CB 0.208 31.911 31.700 0.005 0.000 0.784 67 Q N -1.562 118.240 119.800 0.003 0.000 2.084 67 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 67 Q C 2.179 178.174 176.000 -0.007 0.000 0.978 67 Q CA 1.492 57.297 55.803 0.002 0.000 0.844 67 Q CB -0.929 27.814 28.738 0.008 0.000 0.898 67 Q HN 0.174 nan 8.270 nan 0.000 0.426 68 M N 0.772 120.364 119.600 -0.012 0.000 2.086 68 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 68 M C 1.892 178.176 176.300 -0.026 0.000 1.067 68 M CA 1.718 57.004 55.300 -0.023 0.000 1.116 68 M CB -0.224 32.361 32.600 -0.025 0.000 1.348 68 M HN 0.076 nan 8.290 nan 0.000 0.407 69 K N -0.382 120.005 120.400 -0.020 0.000 2.032 69 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 69 K C 1.390 177.977 176.600 -0.021 0.000 1.048 69 K CA 2.122 58.397 56.287 -0.021 0.000 0.927 69 K CB -0.419 32.073 32.500 -0.015 0.000 0.712 69 K HN 0.355 nan 8.250 nan 0.000 0.441 70 D N 0.941 121.332 120.400 -0.015 0.000 2.144 70 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 70 D C 1.935 178.225 176.300 -0.018 0.000 0.978 70 D CA 0.616 54.609 54.000 -0.011 0.000 0.833 70 D CB -0.229 40.570 40.800 -0.002 0.000 0.961 70 D HN 0.145 nan 8.370 nan 0.000 0.470 71 L N 1.514 122.724 121.223 -0.022 0.000 2.012 71 L HA -0.176 4.163 4.340 -0.000 0.000 0.210 71 L C 1.959 178.791 176.870 -0.063 0.000 1.073 71 L CA 1.807 56.626 54.840 -0.035 0.000 0.748 71 L CB -0.370 41.668 42.059 -0.036 0.000 0.891 71 L HN -0.120 nan 8.230 nan 0.000 0.431 72 K N -0.705 119.656 120.400 -0.065 0.000 2.057 72 K HA -0.230 4.090 4.320 -0.000 0.000 0.207 72 K C 2.056 178.615 176.600 -0.069 0.000 1.049 72 K CA 1.591 57.830 56.287 -0.080 0.000 0.931 72 K CB -0.205 32.256 32.500 -0.066 0.000 0.714 72 K HN 0.484 nan 8.250 nan 0.000 0.440 73 E N 1.485 121.657 120.200 -0.046 0.000 2.085 73 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 73 E C 1.785 178.364 176.600 -0.035 0.000 0.994 73 E CA 1.478 57.858 56.400 -0.034 0.000 0.801 73 E CB 0.163 29.850 29.700 -0.020 0.000 0.743 73 E HN 0.200 nan 8.360 nan 0.000 0.453 74 K N -0.053 120.326 120.400 -0.035 0.000 2.057 74 K HA -0.127 4.192 4.320 -0.000 0.000 0.207 74 K C 2.142 178.707 176.600 -0.059 0.000 1.049 74 K CA 1.060 57.331 56.287 -0.027 0.000 0.931 74 K CB -0.142 32.354 32.500 -0.006 0.000 0.714 74 K HN 0.112 nan 8.250 nan 0.000 0.440 75 A N 2.010 124.763 122.820 -0.111 0.000 1.877 75 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 75 A C 1.896 179.395 177.584 -0.142 0.000 1.186 75 A CA 1.478 53.398 52.037 -0.194 0.000 0.620 75 A CB -0.241 18.590 19.000 -0.281 0.000 0.822 75 A HN 0.098 nan 8.150 nan 0.000 0.443 76 K N -0.639 119.704 120.400 -0.094 0.000 2.097 76 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 76 K C 2.107 178.683 176.600 -0.039 0.000 1.049 76 K CA 1.211 57.463 56.287 -0.058 0.000 0.933 76 K CB -0.774 31.703 32.500 -0.039 0.000 0.717 76 K HN 0.490 nan 8.250 nan 0.000 0.442 77 G N 1.595 110.376 108.800 -0.032 0.000 2.422 77 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 77 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 77 G C 1.650 176.547 174.900 -0.005 0.000 1.146 77 G CA 0.438 45.532 45.100 -0.009 0.000 0.769 77 G HN 0.174 nan 8.290 nan 0.000 0.547 78 I N 0.387 120.936 120.570 -0.035 0.000 2.202 78 I HA -0.112 4.058 4.170 -0.000 0.000 0.242 78 I C 2.638 178.703 176.117 -0.087 0.000 1.091 78 I CA 0.712 61.988 61.300 -0.040 0.000 1.368 78 I CB -0.193 37.736 38.000 -0.120 0.000 1.058 78 I HN 0.133 nan 8.210 nan 0.000 0.410 79 I N 0.521 121.010 120.570 -0.136 0.000 2.208 79 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 79 I C 2.565 178.658 176.117 -0.040 0.000 1.097 79 I CA 1.261 62.467 61.300 -0.157 0.000 1.363 79 I CB -0.361 37.616 38.000 -0.038 0.000 1.051 79 I HN 0.233 nan 8.210 nan 0.000 0.413 80 E N 0.832 121.034 120.200 0.004 0.000 2.051 80 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 80 E C 2.321 178.965 176.600 0.075 0.000 0.991 80 E CA 1.528 57.953 56.400 0.042 0.000 0.799 80 E CB -0.466 29.255 29.700 0.035 0.000 0.748 80 E HN 0.504 nan 8.360 nan 0.000 0.449 81 A N 0.744 123.615 122.820 0.084 0.000 2.019 81 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 81 A C 2.251 180.003 177.584 0.280 0.000 1.164 81 A CA 0.890 53.021 52.037 0.156 0.000 0.644 81 A CB -0.537 18.555 19.000 0.153 0.000 0.805 81 A HN 0.207 nan 8.150 nan 0.000 0.449 82 L N -1.810 119.522 121.223 0.182 0.000 2.478 82 L HA 0.163 4.503 4.340 -0.000 0.000 0.223 82 L C 1.642 178.565 176.870 0.088 0.000 1.140 82 L CA 0.691 55.627 54.840 0.160 0.000 0.842 82 L CB -0.054 41.811 42.059 -0.323 0.000 0.953 82 L HN 0.589 nan 8.230 nan 0.000 0.452 83 G N -1.258 107.620 108.800 0.130 0.000 2.198 83 G HA2 0.096 4.056 3.960 -0.000 0.000 0.156 83 G HA3 0.096 4.056 3.960 -0.000 0.000 0.156 83 G C 0.514 175.462 174.900 0.081 0.000 1.012 83 G CA -0.346 44.818 45.100 0.107 0.000 0.692 83 G HN 0.698 nan 8.290 nan 0.000 0.492 84 G N 0.331 109.191 108.800 0.101 0.000 2.587 84 G HA2 0.228 4.187 3.960 -0.000 0.000 0.212 84 G HA3 0.228 4.187 3.960 -0.000 0.000 0.212 84 G C 0.645 175.641 174.900 0.161 0.000 1.327 84 G CA 0.840 45.999 45.100 0.098 0.000 0.898 84 G HN 1.780 nan 8.290 nan 0.000 0.551 85 E N -0.531 119.724 120.200 0.091 0.000 2.204 85 E HA 0.027 4.377 4.350 -0.000 0.000 0.194 85 E C 1.441 177.995 176.600 -0.077 0.000 0.989 85 E CA 1.956 58.412 56.400 0.093 0.000 0.824 85 E CB -0.012 29.716 29.700 0.047 0.000 0.756 85 E HN 0.440 nan 8.360 nan 0.000 0.477 86 D N 0.156 120.443 120.400 -0.189 0.000 2.358 86 D HA 0.001 4.641 4.640 -0.000 0.000 0.224 86 D C 0.840 176.770 176.300 -0.618 0.000 1.123 86 D CA 0.080 53.803 54.000 -0.462 0.000 0.833 86 D CB -0.258 40.410 40.800 -0.221 0.000 0.946 86 D HN 0.483 nan 8.370 nan 0.000 0.505 87 W N 0.456 121.474 121.300 -0.468 0.000 2.325 87 W HA -0.286 4.374 4.660 -0.000 0.000 0.299 87 W C 1.214 177.258 176.519 -0.791 0.000 1.215 87 W CA 1.561 58.515 57.345 -0.652 0.000 1.244 87 W CB -1.400 27.689 29.460 -0.619 0.000 1.140 87 W HN 0.291 nan 8.180 nan 0.000 0.523 88 H N -2.006 116.075 119.070 -1.649 0.000 2.423 88 H HA -0.101 4.455 4.556 -0.000 0.000 0.297 88 H C 2.392 177.395 175.328 -0.543 0.000 1.075 88 H CA 1.922 57.131 56.048 -1.399 0.000 1.342 88 H CB -1.510 27.273 29.762 -1.632 0.000 1.395 88 H HN 0.335 nan 8.280 nan 0.000 0.530 89 H N 1.624 120.222 119.070 -0.787 0.000 2.326 89 H HA -0.058 4.497 4.556 -0.000 0.000 0.301 89 H C 1.535 176.724 175.328 -0.231 0.000 1.081 89 H CA 1.208 57.035 56.048 -0.369 0.000 1.334 89 H CB 0.216 29.763 29.762 -0.359 0.000 1.385 89 H HN 0.364 nan 8.280 nan 0.000 0.504 90 K N -0.181 120.008 120.400 -0.352 0.000 2.063 90 K HA -0.147 4.172 4.320 -0.000 0.000 0.208 90 K C 2.103 178.674 176.600 -0.048 0.000 1.048 90 K CA 1.493 57.645 56.287 -0.226 0.000 0.928 90 K CB -0.114 32.295 32.500 -0.151 0.000 0.713 90 K HN 0.171 nan 8.250 nan 0.000 0.442 91 F N 1.088 120.800 119.950 -0.397 0.000 2.098 91 F HA -0.055 4.472 4.527 -0.000 0.000 0.294 91 F C 2.134 177.835 175.800 -0.165 0.000 1.107 91 F CA 0.830 58.474 58.000 -0.594 0.000 1.234 91 F CB -0.929 37.444 39.000 -1.044 0.000 1.002 91 F HN -0.079 nan 8.300 nan 0.000 0.472 92 L N -0.920 120.341 121.223 0.064 0.000 2.131 92 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 92 L C 2.338 179.236 176.870 0.046 0.000 1.092 92 L CA 1.033 55.926 54.840 0.087 0.000 0.759 92 L CB -0.757 41.341 42.059 0.065 0.000 0.903 92 L HN 0.017 nan 8.230 nan 0.000 0.435 93 S N -0.691 114.973 115.700 -0.060 0.000 2.442 93 S HA -0.185 4.285 4.470 -0.000 0.000 0.236 93 S C 1.812 176.409 174.600 -0.004 0.000 1.007 93 S CA 0.998 59.142 58.200 -0.093 0.000 0.965 93 S CB -0.130 62.896 63.200 -0.289 0.000 0.773 93 S HN 0.500 nan 8.310 nan 0.000 0.504 94 Q N 0.520 120.358 119.800 0.065 0.000 2.424 94 Q HA 0.270 4.610 4.340 -0.000 0.000 0.204 94 Q C 0.730 176.780 176.000 0.084 0.000 0.933 94 Q CA 0.014 55.876 55.803 0.098 0.000 0.929 94 Q CB -0.047 28.805 28.738 0.191 0.000 1.037 94 Q HN 0.492 nan 8.270 nan 0.000 0.511 95 A N 1.819 124.696 122.820 0.095 0.000 2.565 95 A HA 0.187 4.507 4.320 -0.000 0.000 0.237 95 A C 0.377 177.984 177.584 0.037 0.000 1.053 95 A CA 0.144 52.222 52.037 0.069 0.000 0.755 95 A CB 0.150 19.198 19.000 0.080 0.000 0.980 95 A HN 0.282 nan 8.150 nan 0.000 0.506 96 S N 1.927 117.639 115.700 0.020 0.000 2.648 96 S HA 0.540 5.010 4.470 -0.000 0.000 0.305 96 S C 1.025 175.633 174.600 0.012 0.000 1.094 96 S CA -0.427 57.781 58.200 0.013 0.000 0.983 96 S CB 1.400 64.602 63.200 0.002 0.000 1.101 96 S HN 0.828 nan 8.310 nan 0.000 0.514 97 R N 0.627 121.134 120.500 0.012 0.000 2.119 97 R HA -0.199 4.141 4.340 -0.000 0.000 0.246 97 R C 1.350 177.656 176.300 0.010 0.000 1.146 97 R CA 2.380 58.488 56.100 0.013 0.000 0.962 97 R CB -0.535 29.773 30.300 0.012 0.000 0.863 97 R HN 0.834 nan 8.270 nan 0.000 0.442 98 E N 0.289 120.491 120.200 0.003 0.000 2.152 98 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 98 E C 0.960 177.554 176.600 -0.010 0.000 0.983 98 E CA 1.436 57.835 56.400 -0.003 0.000 0.818 98 E CB 0.037 29.732 29.700 -0.008 0.000 0.758 98 E HN 0.634 nan 8.360 nan 0.000 0.467 99 D N -0.390 120.001 120.400 -0.015 0.000 2.479 99 D HA 0.020 4.660 4.640 -0.000 0.000 0.218 99 D C 1.432 177.727 176.300 -0.009 0.000 1.177 99 D CA -0.254 53.728 54.000 -0.029 0.000 0.830 99 D CB -0.147 40.613 40.800 -0.067 0.000 1.014 99 D HN 0.012 nan 8.370 nan 0.000 0.503 100 R N 1.385 121.893 120.500 0.012 0.000 2.112 100 R HA -0.213 4.126 4.340 -0.000 0.000 0.242 100 R C 1.478 177.802 176.300 0.040 0.000 1.137 100 R CA 1.868 57.988 56.100 0.033 0.000 0.944 100 R CB -0.023 30.297 30.300 0.033 0.000 0.857 100 R HN 0.212 nan 8.270 nan 0.000 0.435 101 E N 0.113 120.332 120.200 0.030 0.000 2.077 101 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 101 E C 2.163 178.781 176.600 0.030 0.000 0.989 101 E CA 1.573 57.993 56.400 0.034 0.000 0.800 101 E CB 0.025 29.742 29.700 0.029 0.000 0.746 101 E HN 0.379 nan 8.360 nan 0.000 0.452 102 K N 0.363 120.768 120.400 0.009 0.000 2.026 102 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 102 K C 2.181 178.797 176.600 0.027 0.000 1.048 102 K CA 1.142 57.426 56.287 -0.004 0.000 0.929 102 K CB -0.119 32.353 32.500 -0.048 0.000 0.713 102 K HN -0.042 nan 8.250 nan 0.000 0.439 103 V N 1.770 121.708 119.914 0.040 0.000 2.295 103 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 103 V C 1.986 178.208 176.094 0.213 0.000 1.049 103 V CA 1.839 64.235 62.300 0.160 0.000 1.024 103 V CB -0.414 31.515 31.823 0.177 0.000 0.648 103 V HN 0.340 nan 8.190 nan 0.000 0.447 104 E N -0.275 120.009 120.200 0.139 0.000 2.077 104 E HA -0.277 4.073 4.350 -0.000 0.000 0.193 104 E C 2.253 178.930 176.600 0.128 0.000 0.989 104 E CA 1.404 57.881 56.400 0.127 0.000 0.800 104 E CB -0.108 29.643 29.700 0.086 0.000 0.746 104 E HN 0.697 nan 8.360 nan 0.000 0.452 105 E N 0.998 121.259 120.200 0.101 0.000 2.058 105 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 105 E C 2.087 178.769 176.600 0.136 0.000 0.997 105 E CA 1.335 57.788 56.400 0.088 0.000 0.801 105 E CB 0.118 29.845 29.700 0.046 0.000 0.746 105 E HN 0.225 nan 8.360 nan 0.000 0.450 106 Q N -0.312 119.590 119.800 0.171 0.000 2.050 106 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 106 Q C 2.323 178.525 176.000 0.336 0.000 0.980 106 Q CA 1.763 57.705 55.803 0.232 0.000 0.840 106 Q CB 0.035 28.933 28.738 0.267 0.000 0.898 106 Q HN 0.210 nan 8.270 nan 0.000 0.424 107 V N 0.772 120.910 119.914 0.373 0.000 2.358 107 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 107 V C 2.213 178.542 176.094 0.391 0.000 1.047 107 V CA 1.778 64.354 62.300 0.459 0.000 1.035 107 V CB -0.942 31.069 31.823 0.313 0.000 0.658 107 V HN 0.420 nan 8.190 nan 0.000 0.452 108 A N -0.111 122.860 122.820 0.253 0.000 1.933 108 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 108 A C 2.365 180.107 177.584 0.263 0.000 1.175 108 A CA 1.826 53.986 52.037 0.205 0.000 0.628 108 A CB -0.466 18.608 19.000 0.123 0.000 0.814 108 A HN 0.517 nan 8.150 nan 0.000 0.444 109 R N -0.579 120.078 120.500 0.261 0.000 2.075 109 R HA 0.006 4.346 4.340 -0.000 0.000 0.232 109 R C 1.969 178.540 176.300 0.451 0.000 1.126 109 R CA 1.487 57.767 56.100 0.301 0.000 0.963 109 R CB -0.450 29.976 30.300 0.210 0.000 0.858 109 R HN 0.582 nan 8.270 nan 0.000 0.435 110 I N 1.052 121.898 120.570 0.460 0.000 2.226 110 I HA -0.298 3.871 4.170 -0.000 0.000 0.245 110 I C 2.142 178.550 176.117 0.485 0.000 1.100 110 I CA 1.450 63.066 61.300 0.526 0.000 1.374 110 I CB -0.266 37.959 38.000 0.375 0.000 1.057 110 I HN 0.119 nan 8.210 nan 0.000 0.413 111 K N 0.383 121.087 120.400 0.506 0.000 2.032 111 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 111 K C 2.175 178.918 176.600 0.238 0.000 1.048 111 K CA 1.825 58.332 56.287 0.367 0.000 0.927 111 K CB -0.432 32.224 32.500 0.261 0.000 0.712 111 K HN 0.194 nan 8.250 nan 0.000 0.441 112 F N 1.442 121.489 119.950 0.161 0.000 2.095 112 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 112 F C 2.059 177.935 175.800 0.128 0.000 1.104 112 F CA 1.319 59.377 58.000 0.096 0.000 1.232 112 F CB -0.523 38.514 39.000 0.061 0.000 0.987 112 F HN 0.008 nan 8.300 nan 0.000 0.475 113 F N 0.909 120.851 119.950 -0.013 0.000 2.075 113 F HA -0.180 4.347 4.527 -0.000 0.000 0.297 113 F C 1.883 177.562 175.800 -0.200 0.000 1.113 113 F CA 1.975 59.904 58.000 -0.118 0.000 1.218 113 F CB -0.885 38.187 39.000 0.120 0.000 0.984 113 F HN 0.009 nan 8.300 nan 0.000 0.472 114 L N 0.385 121.338 121.223 -0.451 0.000 2.083 114 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 114 L C 2.271 178.886 176.870 -0.425 0.000 1.083 114 L CA 1.829 56.305 54.840 -0.606 0.000 0.752 114 L CB -0.929 40.990 42.059 -0.233 0.000 0.899 114 L HN 0.292 nan 8.230 nan 0.000 0.433 115 N N -0.707 117.825 118.700 -0.281 0.000 2.270 115 N HA -0.148 4.592 4.740 -0.000 0.000 0.181 115 N C 1.670 177.000 175.510 -0.300 0.000 1.016 115 N CA 1.524 54.435 53.050 -0.232 0.000 0.870 115 N CB 0.054 38.456 38.487 -0.143 0.000 0.979 115 N HN 0.092 nan 8.380 nan 0.000 0.431 116 T N 0.991 115.276 114.554 -0.447 0.000 2.684 116 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 116 T C 1.662 176.183 174.700 -0.298 0.000 1.036 116 T CA 1.169 63.026 62.100 -0.405 0.000 1.148 116 T CB -0.126 68.428 68.868 -0.523 0.000 0.863 116 T HN 0.181 nan 8.240 nan 0.000 0.436 117 I N 0.655 120.983 120.570 -0.403 0.000 2.233 117 I HA -0.019 4.151 4.170 -0.000 0.000 0.243 117 I C 2.240 178.211 176.117 -0.244 0.000 1.093 117 I CA 0.898 61.999 61.300 -0.331 0.000 1.380 117 I CB -1.342 36.366 38.000 -0.486 0.000 1.067 117 I HN 0.202 nan 8.210 nan 0.000 0.413 118 L N 0.795 121.862 121.223 -0.260 0.000 2.191 118 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 118 L C 1.541 178.334 176.870 -0.127 0.000 1.103 118 L CA 1.609 56.343 54.840 -0.176 0.000 0.769 118 L CB -1.153 40.808 42.059 -0.163 0.000 0.908 118 L HN 0.311 nan 8.230 nan 0.000 0.438 119 N N -1.131 117.490 118.700 -0.131 0.000 2.214 119 N HA 0.027 4.766 4.740 -0.000 0.000 0.214 119 N C 1.563 177.023 175.510 -0.083 0.000 1.132 119 N CA -0.068 52.926 53.050 -0.094 0.000 0.856 119 N CB 0.586 39.023 38.487 -0.084 0.000 1.020 119 N HN 0.113 nan 8.380 nan 0.000 0.509 120 L N 2.022 123.189 121.223 -0.094 0.000 2.042 120 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 120 L C 1.767 178.607 176.870 -0.050 0.000 1.076 120 L CA 2.022 56.822 54.840 -0.067 0.000 0.749 120 L CB -0.579 41.439 42.059 -0.069 0.000 0.893 120 L HN 0.158 nan 8.230 nan 0.000 0.432 121 D N -1.089 119.277 120.400 -0.055 0.000 2.133 121 D HA -0.258 4.382 4.640 -0.000 0.000 0.195 121 D C 1.904 178.177 176.300 -0.044 0.000 0.997 121 D CA 1.405 55.377 54.000 -0.048 0.000 0.840 121 D CB -0.629 40.142 40.800 -0.047 0.000 0.947 121 D HN 0.301 nan 8.370 nan 0.000 0.452 122 R N 0.567 121.040 120.500 -0.044 0.000 2.096 122 R HA 0.017 4.357 4.340 -0.000 0.000 0.235 122 R C 2.538 178.818 176.300 -0.034 0.000 1.127 122 R CA 0.864 56.941 56.100 -0.038 0.000 0.968 122 R CB -0.649 29.630 30.300 -0.036 0.000 0.861 122 R HN 0.409 nan 8.270 nan 0.000 0.440 123 R N 0.504 120.986 120.500 -0.030 0.000 2.075 123 R HA 0.015 4.355 4.340 -0.000 0.000 0.232 123 R C 2.480 178.765 176.300 -0.025 0.000 1.126 123 R CA 0.957 57.048 56.100 -0.016 0.000 0.963 123 R CB -0.429 29.871 30.300 -0.000 0.000 0.858 123 R HN 0.163 nan 8.270 nan 0.000 0.435 124 L N 0.809 122.011 121.223 -0.035 0.000 2.141 124 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 124 L C 2.500 179.317 176.870 -0.087 0.000 1.094 124 L CA 1.154 55.960 54.840 -0.057 0.000 0.763 124 L CB -0.291 41.738 42.059 -0.050 0.000 0.908 124 L HN 0.132 nan 8.230 nan 0.000 0.437 125 K N 0.601 120.960 120.400 -0.068 0.000 2.283 125 K HA -0.111 4.209 4.320 -0.000 0.000 0.202 125 K C 1.980 178.533 176.600 -0.078 0.000 1.048 125 K CA 0.682 56.926 56.287 -0.071 0.000 0.948 125 K CB 0.004 32.472 32.500 -0.053 0.000 0.742 125 K HN 0.275 nan 8.250 nan 0.000 0.458 126 L N -0.042 121.139 121.223 -0.070 0.000 2.265 126 L HA -0.084 4.256 4.340 -0.000 0.000 0.215 126 L C 1.347 178.150 176.870 -0.112 0.000 1.117 126 L CA 0.759 55.558 54.840 -0.069 0.000 0.782 126 L CB -0.872 41.163 42.059 -0.040 0.000 0.914 126 L HN 0.519 nan 8.230 nan 0.000 0.441 127 G N 0.031 108.726 108.800 -0.175 0.000 2.484 127 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.225 127 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.225 127 G C -0.155 174.456 174.900 -0.481 0.000 1.250 127 G CA -0.369 44.562 45.100 -0.282 0.000 0.926 127 G HN 0.168 nan 8.290 nan 0.000 0.581 128 K N 0.725 120.788 120.400 -0.562 0.000 2.449 128 K HA 0.388 4.708 4.320 -0.000 0.000 0.237 128 K C -0.097 176.292 176.600 -0.351 0.000 1.265 128 K CA 0.294 56.014 56.287 -0.944 0.000 1.193 128 K CB -0.433 31.701 32.500 -0.610 0.000 1.515 128 K HN 0.336 nan 8.250 nan 0.000 0.259 129 I N 1.264 121.723 120.570 -0.185 0.000 2.410 129 I HA 0.116 4.286 4.170 -0.000 0.000 0.286 129 I C -0.370 175.978 176.117 0.384 0.000 1.009 129 I CA -0.849 60.533 61.300 0.137 0.000 1.111 129 I CB 1.527 39.564 38.000 0.061 0.000 1.262 129 I HN 0.182 nan 8.210 nan 0.000 0.443 130 N N 4.814 123.823 118.700 0.516 0.000 2.898 130 N HA 0.199 4.939 4.740 -0.000 0.000 0.245 130 N C -1.454 174.317 175.510 0.435 0.000 1.185 130 N CA -0.266 53.094 53.050 0.517 0.000 0.879 130 N CB 0.458 39.153 38.487 0.346 0.000 1.157 130 N HN 0.436 nan 8.380 nan 0.000 0.503 131 D N 1.867 122.454 120.400 0.310 0.000 2.492 131 D HA 0.388 5.027 4.640 -0.000 0.000 0.248 131 D C -1.942 174.333 176.300 -0.042 0.000 1.101 131 D CA -2.180 51.878 54.000 0.096 0.000 0.840 131 D CB 2.365 43.210 40.800 0.074 0.000 1.209 131 D HN 0.151 nan 8.370 nan 0.000 0.524 132 P HA -0.149 nan 4.420 nan 0.000 0.220 132 P C 1.474 178.714 177.300 -0.100 0.000 1.144 132 P CA 0.423 63.242 63.100 -0.469 0.000 0.800 132 P CB 0.451 31.779 31.700 -0.620 0.000 0.772 133 V N 0.409 120.288 119.914 -0.059 0.000 2.626 133 V HA -0.154 3.966 4.120 -0.000 0.000 0.252 133 V C 1.853 177.967 176.094 0.033 0.000 1.067 133 V CA 1.333 63.632 62.300 -0.001 0.000 1.081 133 V CB -0.965 30.859 31.823 0.001 0.000 0.686 133 V HN 0.106 nan 8.190 nan 0.000 0.468 134 I N -1.681 118.920 120.570 0.051 0.000 3.684 134 I HA 0.293 4.463 4.170 -0.000 0.000 0.304 134 I C 1.791 177.956 176.117 0.080 0.000 1.278 134 I CA 1.006 62.343 61.300 0.062 0.000 1.272 134 I CB -0.390 37.648 38.000 0.064 0.000 1.029 134 I HN 0.123 nan 8.210 nan 0.000 0.458 135 A N 1.288 124.170 122.820 0.105 0.000 2.218 135 A HA 0.378 4.697 4.320 -0.000 0.000 0.209 135 A C 0.997 178.646 177.584 0.109 0.000 1.168 135 A CA 0.748 52.864 52.037 0.131 0.000 0.804 135 A CB -0.404 18.716 19.000 0.200 0.000 0.834 135 A HN 0.421 nan 8.150 nan 0.000 0.482 136 V N -3.600 116.368 119.914 0.091 0.000 3.001 136 V HA 0.566 4.686 4.120 -0.000 0.000 0.314 136 V C -1.538 174.586 176.094 0.051 0.000 1.099 136 V CA -1.423 60.928 62.300 0.086 0.000 0.989 136 V CB 1.717 33.619 31.823 0.131 0.000 1.040 136 V HN 0.058 nan 8.190 nan 0.000 0.434 137 D N 2.143 122.565 120.400 0.037 0.000 2.256 137 D HA 0.589 5.229 4.640 -0.000 0.000 0.250 137 D C -0.424 175.898 176.300 0.036 0.000 1.093 137 D CA 0.350 54.363 54.000 0.023 0.000 0.882 137 D CB 1.720 42.522 40.800 0.003 0.000 1.185 137 D HN 0.596 nan 8.370 nan 0.000 0.437 138 I N 2.071 122.659 120.570 0.032 0.000 2.389 138 I HA 0.316 4.486 4.170 -0.000 0.000 0.288 138 I C -0.131 176.006 176.117 0.032 0.000 0.999 138 I CA -1.011 60.312 61.300 0.038 0.000 1.129 138 I CB 1.715 39.739 38.000 0.039 0.000 1.288 138 I HN 0.057 nan 8.210 nan 0.000 0.444 139 V N 3.692 123.629 119.914 0.039 0.000 2.962 139 V HA 0.570 4.690 4.120 -0.000 0.000 0.313 139 V C -0.223 175.894 176.094 0.040 0.000 1.099 139 V CA -0.881 61.437 62.300 0.031 0.000 0.971 139 V CB 1.749 33.586 31.823 0.023 0.000 1.028 139 V HN 0.350 nan 8.190 nan 0.000 0.430 140 V N 2.820 122.750 119.914 0.026 0.000 2.585 140 V HA 0.629 4.749 4.120 -0.000 0.000 0.296 140 V C 1.109 177.219 176.094 0.028 0.000 1.035 140 V CA 1.242 63.556 62.300 0.023 0.000 1.084 140 V CB 0.624 32.452 31.823 0.007 0.000 0.953 140 V HN 1.319 nan 8.190 nan 0.000 0.483 141 G N 3.266 112.087 108.800 0.035 0.000 2.569 141 G HA2 0.642 4.601 3.960 -0.000 0.000 0.300 141 G HA3 0.642 4.601 3.960 -0.000 0.000 0.300 141 G C -1.298 173.607 174.900 0.009 0.000 1.269 141 G CA -0.522 44.602 45.100 0.039 0.000 0.959 141 G HN 0.674 nan 8.290 nan 0.000 0.478 142 E N 0.578 120.782 120.200 0.008 0.000 2.145 142 E HA 0.442 4.791 4.350 -0.000 0.000 0.270 142 E C -0.540 176.059 176.600 -0.002 0.000 0.906 142 E CA -0.633 55.760 56.400 -0.012 0.000 0.761 142 E CB 1.785 31.478 29.700 -0.012 0.000 1.116 142 E HN 0.201 nan 8.360 nan 0.000 0.408 143 V N 6.936 126.835 119.914 -0.025 0.000 2.485 143 V HA -0.051 4.069 4.120 -0.000 0.000 0.287 143 V C 1.191 177.284 176.094 -0.001 0.000 1.022 143 V CA 0.706 63.003 62.300 -0.005 0.000 1.067 143 V CB 0.576 32.369 31.823 -0.050 0.000 0.967 143 V HN 0.950 nan 8.190 nan 0.000 0.479 144 M N 2.985 122.594 119.600 0.015 0.000 2.429 144 M HA 0.098 4.578 4.480 -0.000 0.000 0.265 144 M C 0.687 176.990 176.300 0.006 0.000 1.120 144 M CA 0.773 56.077 55.300 0.007 0.000 1.173 144 M CB 0.411 33.017 32.600 0.009 0.000 1.343 144 M HN 0.824 nan 8.290 nan 0.000 0.464 145 S N -1.196 114.512 115.700 0.014 0.000 2.588 145 S HA 0.713 5.182 4.470 -0.000 0.000 0.269 145 S C -0.942 173.671 174.600 0.020 0.000 1.157 145 S CA -1.003 57.203 58.200 0.011 0.000 0.824 145 S CB 2.508 65.712 63.200 0.007 0.000 1.126 145 S HN -0.053 nan 8.310 nan 0.000 0.464 146 V N 0.186 120.108 119.914 0.015 0.000 2.971 146 V HA 0.931 5.051 4.120 -0.000 0.000 0.309 146 V C 0.118 176.219 176.094 0.012 0.000 1.130 146 V CA 0.300 62.613 62.300 0.021 0.000 0.964 146 V CB 2.138 33.971 31.823 0.017 0.000 1.029 146 V HN 1.554 nan 8.190 nan 0.000 0.427 147 G N 2.655 111.463 108.800 0.014 0.000 2.755 147 G HA2 0.502 4.462 3.960 -0.000 0.000 0.297 147 G HA3 0.502 4.462 3.960 -0.000 0.000 0.297 147 G C -1.274 173.638 174.900 0.019 0.000 1.441 147 G CA -0.940 44.165 45.100 0.009 0.000 0.964 147 G HN 0.812 nan 8.290 nan 0.000 0.540 148 K N 0.594 121.010 120.400 0.026 0.000 2.485 148 K HA 0.158 4.478 4.320 -0.000 0.000 0.277 148 K C 0.010 176.654 176.600 0.074 0.000 0.990 148 K CA -0.413 55.904 56.287 0.049 0.000 0.994 148 K CB 0.865 33.389 32.500 0.039 0.000 0.906 148 K HN 0.669 nan 8.250 nan 0.000 0.488 149 H N 2.544 121.616 119.070 0.004 0.000 2.886 149 H HA 0.048 4.604 4.556 -0.000 0.000 0.329 149 H C -1.765 173.569 175.328 0.009 0.000 1.044 149 H CA -1.850 54.209 56.048 0.018 0.000 1.456 149 H CB 0.900 30.682 29.762 0.035 0.000 1.464 149 H HN 0.484 nan 8.280 nan 0.000 0.573 150 P HA 0.102 nan 4.420 nan 0.000 0.258 150 P C -0.463 176.961 177.300 0.207 0.000 1.403 150 P CA 0.420 63.610 63.100 0.150 0.000 0.826 150 P CB 0.614 32.345 31.700 0.052 0.000 1.414 151 S N -1.871 114.034 115.700 0.341 0.000 2.702 151 S HA 0.438 4.908 4.470 -0.000 0.000 0.257 151 S C 0.161 174.559 174.600 -0.336 0.000 0.981 151 S CA -0.070 58.162 58.200 0.052 0.000 1.414 151 S CB 0.659 63.972 63.200 0.189 0.000 1.239 151 S HN 0.205 nan 8.310 nan 0.000 0.676 152 A N 1.860 124.479 122.820 -0.335 0.000 2.611 152 A HA 0.543 4.863 4.320 -0.000 0.000 0.282 152 A C -1.255 176.209 177.584 -0.200 0.000 1.114 152 A CA -0.628 51.106 52.037 -0.505 0.000 0.800 152 A CB 0.757 19.269 19.000 -0.813 0.000 1.325 152 A HN 0.095 nan 8.150 nan 0.000 0.411 153 D N 2.337 122.647 120.400 -0.150 0.000 2.368 153 D HA 0.159 4.799 4.640 -0.000 0.000 0.240 153 D C 1.220 177.489 176.300 -0.051 0.000 1.169 153 D CA 0.787 54.746 54.000 -0.069 0.000 0.906 153 D CB 0.628 41.392 40.800 -0.060 0.000 1.187 153 D HN 0.835 nan 8.370 nan 0.000 0.435 154 R N -1.021 119.468 120.500 -0.018 0.000 3.863 154 R HA -0.247 4.093 4.340 -0.000 0.000 0.313 154 R C -1.334 174.968 176.300 0.003 0.000 1.202 154 R CA 0.767 56.864 56.100 -0.004 0.000 0.852 154 R CB -1.925 28.372 30.300 -0.005 0.000 1.292 154 R HN 0.222 nan 8.270 nan 0.000 0.519 155 L N 0.765 121.993 121.223 0.008 0.000 2.381 155 L HA 0.662 5.002 4.340 -0.000 0.000 0.268 155 L C -0.664 176.242 176.870 0.061 0.000 0.997 155 L CA -1.163 53.689 54.840 0.020 0.000 0.818 155 L CB 1.849 43.914 42.059 0.010 0.000 1.310 155 L HN 0.256 nan 8.230 nan 0.000 0.416 156 L N 3.061 124.307 121.223 0.039 0.000 2.346 156 L HA 0.749 5.089 4.340 -0.000 0.000 0.276 156 L C -1.015 175.871 176.870 0.027 0.000 1.006 156 L CA -0.427 54.441 54.840 0.048 0.000 0.817 156 L CB 2.147 44.235 42.059 0.048 0.000 1.272 156 L HN 0.321 nan 8.230 nan 0.000 0.421 157 V N 2.527 122.453 119.914 0.019 0.000 2.435 157 V HA 0.734 4.854 4.120 -0.000 0.000 0.290 157 V C 0.056 176.159 176.094 0.016 0.000 1.030 157 V CA -0.321 61.969 62.300 -0.017 0.000 0.881 157 V CB 1.598 33.379 31.823 -0.071 0.000 0.983 157 V HN 0.886 nan 8.190 nan 0.000 0.445 158 T N 1.101 115.673 114.554 0.031 0.000 2.906 158 T HA 0.472 4.822 4.350 -0.000 0.000 0.295 158 T C -0.769 173.965 174.700 0.057 0.000 1.061 158 T CA -0.786 61.362 62.100 0.081 0.000 1.000 158 T CB 1.792 70.790 68.868 0.217 0.000 1.103 158 T HN 0.627 nan 8.240 nan 0.000 0.486 159 N N 1.467 120.200 118.700 0.055 0.000 2.400 159 N HA 0.574 5.314 4.740 -0.000 0.000 0.288 159 N C -1.368 174.181 175.510 0.065 0.000 1.024 159 N CA -0.691 52.383 53.050 0.041 0.000 0.894 159 N CB 1.340 39.839 38.487 0.020 0.000 1.173 159 N HN 0.499 nan 8.380 nan 0.000 0.487 160 V N 2.807 122.763 119.914 0.069 0.000 2.531 160 V HA 0.227 4.347 4.120 -0.000 0.000 0.301 160 V C -0.176 175.947 176.094 0.048 0.000 1.034 160 V CA -1.049 61.304 62.300 0.089 0.000 0.865 160 V CB 1.472 33.401 31.823 0.176 0.000 0.995 160 V HN 0.693 nan 8.190 nan 0.000 0.424 161 N N 4.574 123.293 118.700 0.032 0.000 2.411 161 N HA 0.278 5.018 4.740 -0.000 0.000 0.259 161 N C 0.247 175.769 175.510 0.019 0.000 1.103 161 N CA -0.391 52.667 53.050 0.015 0.000 0.954 161 N CB 0.782 39.271 38.487 0.004 0.000 1.085 161 N HN 0.768 nan 8.380 nan 0.000 0.485 162 I N 0.899 121.477 120.570 0.013 0.000 3.877 162 I HA 0.546 4.716 4.170 -0.000 0.000 0.332 162 I C 0.925 177.042 176.117 0.000 0.000 1.525 162 I CA -0.306 61.003 61.300 0.014 0.000 1.146 162 I CB -0.095 37.918 38.000 0.022 0.000 1.137 162 I HN 0.597 nan 8.210 nan 0.000 0.424 163 G N 2.216 111.012 108.800 -0.006 0.000 2.979 163 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.238 163 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.238 163 G C 0.442 175.331 174.900 -0.019 0.000 1.805 163 G CA 0.080 45.173 45.100 -0.012 0.000 1.389 163 G HN 0.333 nan 8.290 nan 0.000 0.517 164 E N 1.477 121.663 120.200 -0.023 0.000 2.444 164 E HA 0.249 4.598 4.350 -0.000 0.000 0.191 164 E C 0.960 177.533 176.600 -0.045 0.000 1.041 164 E CA 0.099 56.480 56.400 -0.031 0.000 0.883 164 E CB 0.986 30.669 29.700 -0.028 0.000 1.024 164 E HN 0.481 nan 8.360 nan 0.000 0.470 165 R N 0.182 120.656 120.500 -0.043 0.000 2.698 165 R HA 0.577 4.917 4.340 -0.000 0.000 0.275 165 R C -1.624 174.653 176.300 -0.038 0.000 1.001 165 R CA -0.471 55.593 56.100 -0.060 0.000 0.896 165 R CB 1.850 32.110 30.300 -0.066 0.000 1.218 165 R HN 0.005 nan 8.270 nan 0.000 0.462 166 A N 2.956 125.750 122.820 -0.043 0.000 2.317 166 A HA 0.645 4.965 4.320 -0.000 0.000 0.327 166 A C -0.695 176.876 177.584 -0.022 0.000 1.178 166 A CA -0.601 51.423 52.037 -0.022 0.000 0.817 166 A CB 1.287 20.275 19.000 -0.020 0.000 1.189 166 A HN 0.545 nan 8.150 nan 0.000 0.489 167 V N -0.287 119.625 119.914 -0.003 0.000 2.823 167 V HA 0.773 4.893 4.120 -0.000 0.000 0.312 167 V C -0.123 175.969 176.094 -0.004 0.000 1.072 167 V CA -0.552 61.744 62.300 -0.006 0.000 0.937 167 V CB 1.411 33.230 31.823 -0.006 0.000 1.013 167 V HN 0.727 nan 8.190 nan 0.000 0.430 168 T N 3.461 118.007 114.554 -0.014 0.000 2.780 168 T HA 0.617 4.967 4.350 -0.000 0.000 0.294 168 T C -0.262 174.395 174.700 -0.071 0.000 0.949 168 T CA -0.134 61.952 62.100 -0.023 0.000 1.074 168 T CB 1.070 69.930 68.868 -0.012 0.000 0.910 168 T HN 0.739 nan 8.240 nan 0.000 0.501 169 V N 4.399 124.241 119.914 -0.121 0.000 2.531 169 V HA 0.411 4.531 4.120 -0.000 0.000 0.301 169 V C -0.127 175.796 176.094 -0.285 0.000 1.034 169 V CA -0.860 61.257 62.300 -0.305 0.000 0.865 169 V CB 2.040 33.458 31.823 -0.674 0.000 0.995 169 V HN 0.660 nan 8.190 nan 0.000 0.424 170 V N 3.684 123.396 119.914 -0.337 0.000 2.481 170 V HA 0.691 4.811 4.120 -0.000 0.000 0.286 170 V C 0.262 176.108 176.094 -0.413 0.000 1.042 170 V CA -0.015 62.052 62.300 -0.389 0.000 0.928 170 V CB 1.859 33.281 31.823 -0.670 0.000 0.986 170 V HN 0.975 nan 8.190 nan 0.000 0.462 171 T N 2.422 116.847 114.554 -0.216 0.000 2.903 171 T HA 0.310 4.660 4.350 -0.000 0.000 0.299 171 T C 0.569 175.243 174.700 -0.045 0.000 1.093 171 T CA -0.601 61.453 62.100 -0.078 0.000 1.002 171 T CB 1.414 70.389 68.868 0.178 0.000 1.127 171 T HN 0.793 nan 8.240 nan 0.000 0.488 172 N N 1.874 120.569 118.700 -0.008 0.000 2.336 172 N HA 0.037 4.777 4.740 -0.000 0.000 0.189 172 N C -0.201 175.327 175.510 0.031 0.000 1.113 172 N CA -0.140 52.917 53.050 0.012 0.000 0.858 172 N CB 0.134 38.636 38.487 0.025 0.000 0.970 172 N HN 0.506 nan 8.380 nan 0.000 0.471 173 D N 1.293 121.724 120.400 0.051 0.000 2.393 173 D HA 0.129 4.768 4.640 -0.000 0.000 0.232 173 D C 0.981 177.303 176.300 0.036 0.000 1.192 173 D CA -0.341 53.685 54.000 0.044 0.000 0.882 173 D CB 0.625 41.455 40.800 0.051 0.000 1.038 173 D HN 0.134 nan 8.370 nan 0.000 0.499 174 L N 2.714 123.951 121.223 0.023 0.000 2.610 174 L HA 0.010 4.350 4.340 -0.000 0.000 0.232 174 L C 2.070 178.945 176.870 0.009 0.000 1.149 174 L CA 0.649 55.500 54.840 0.018 0.000 0.872 174 L CB -0.358 41.709 42.059 0.014 0.000 0.992 174 L HN 0.410 nan 8.230 nan 0.000 0.447 175 T N -4.119 110.436 114.554 0.002 0.000 3.086 175 T HA 0.160 4.510 4.350 -0.000 0.000 0.250 175 T C 0.693 175.377 174.700 -0.027 0.000 1.074 175 T CA -0.242 61.851 62.100 -0.011 0.000 0.988 175 T CB -0.210 68.650 68.868 -0.014 0.000 0.988 175 T HN -0.053 nan 8.240 nan 0.000 0.530 176 V N 2.964 122.860 119.914 -0.029 0.000 2.673 176 V HA 0.284 4.404 4.120 -0.000 0.000 0.303 176 V C 0.158 176.224 176.094 -0.046 0.000 1.046 176 V CA -0.013 62.247 62.300 -0.068 0.000 1.126 176 V CB 0.274 32.049 31.823 -0.080 0.000 0.934 176 V HN 0.425 nan 8.190 nan 0.000 0.487 177 K N 2.860 123.221 120.400 -0.066 0.000 2.435 177 K HA 0.384 4.704 4.320 -0.000 0.000 0.251 177 K C -0.297 176.276 176.600 -0.045 0.000 0.954 177 K CA -0.986 55.275 56.287 -0.042 0.000 0.820 177 K CB 1.695 34.172 32.500 -0.039 0.000 1.292 177 K HN 0.670 nan 8.250 nan 0.000 0.436 178 E N 0.693 120.877 120.200 -0.026 0.000 2.608 178 E HA -0.076 4.274 4.350 -0.000 0.000 0.259 178 E C 0.636 177.217 176.600 -0.032 0.000 0.951 178 E CA 1.889 58.275 56.400 -0.023 0.000 0.945 178 E CB 0.157 29.849 29.700 -0.014 0.000 0.916 178 E HN 0.786 nan 8.360 nan 0.000 0.477 179 G N 4.178 112.958 108.800 -0.034 0.000 2.241 179 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 179 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 179 G C 0.352 175.222 174.900 -0.051 0.000 0.998 179 G CA 0.234 45.313 45.100 -0.036 0.000 0.621 179 G HN 0.655 nan 8.290 nan 0.000 0.519 180 N N 0.927 119.583 118.700 -0.073 0.000 2.395 180 N HA 0.326 5.066 4.740 -0.000 0.000 0.246 180 N C 0.103 175.550 175.510 -0.104 0.000 1.246 180 N CA 0.025 53.014 53.050 -0.103 0.000 0.879 180 N CB 0.255 38.647 38.487 -0.159 0.000 1.098 180 N HN 0.069 nan 8.380 nan 0.000 0.444 181 R N 2.027 122.469 120.500 -0.097 0.000 2.265 181 R HA 0.310 4.650 4.340 -0.000 0.000 0.328 181 R C -0.495 175.739 176.300 -0.110 0.000 0.969 181 R CA -0.506 55.545 56.100 -0.081 0.000 0.832 181 R CB 0.755 31.024 30.300 -0.051 0.000 1.139 181 R HN 0.409 nan 8.270 nan 0.000 0.457 182 V N -0.971 118.871 119.914 -0.120 0.000 3.113 182 V HA 0.955 5.075 4.120 -0.000 0.000 0.316 182 V C -0.249 175.840 176.094 -0.009 0.000 1.125 182 V CA -1.343 60.866 62.300 -0.151 0.000 1.026 182 V CB 2.129 33.696 31.823 -0.427 0.000 1.080 182 V HN 0.675 nan 8.190 nan 0.000 0.444 183 A N 1.530 124.380 122.820 0.051 0.000 2.287 183 A HA 0.806 5.125 4.320 -0.000 0.000 0.317 183 A C -0.667 177.029 177.584 0.187 0.000 1.220 183 A CA -0.609 51.484 52.037 0.093 0.000 0.835 183 A CB 1.227 20.263 19.000 0.061 0.000 1.180 183 A HN 1.200 nan 8.150 nan 0.000 0.500 184 V N 2.467 122.480 119.914 0.164 0.000 2.370 184 V HA 0.557 4.677 4.120 -0.000 0.000 0.283 184 V C 0.676 176.817 176.094 0.078 0.000 1.023 184 V CA -0.363 62.029 62.300 0.154 0.000 0.857 184 V CB 1.223 33.125 31.823 0.131 0.000 0.985 184 V HN 1.075 nan 8.190 nan 0.000 0.443 185 A N 6.180 129.032 122.820 0.055 0.000 2.302 185 A HA 0.609 4.928 4.320 -0.000 0.000 0.295 185 A C -0.015 177.587 177.584 0.031 0.000 1.235 185 A CA -0.349 51.712 52.037 0.041 0.000 0.876 185 A CB -0.067 18.953 19.000 0.034 0.000 1.133 185 A HN 0.878 nan 8.150 nan 0.000 0.533 186 L N 4.483 125.743 121.223 0.062 0.000 2.384 186 L HA 0.161 4.501 4.340 -0.000 0.000 0.258 186 L C -0.210 176.767 176.870 0.178 0.000 1.266 186 L CA 0.089 54.992 54.840 0.104 0.000 1.162 186 L CB -0.820 41.305 42.059 0.111 0.000 1.375 186 L HN 0.624 nan 8.230 nan 0.000 0.420 187 L N 2.735 123.972 121.223 0.024 0.000 2.431 187 L HA 0.474 4.814 4.340 -0.000 0.000 0.260 187 L C -1.913 174.608 176.870 -0.582 0.000 1.098 187 L CA -2.035 52.708 54.840 -0.161 0.000 0.800 187 L CB 0.535 42.504 42.059 -0.151 0.000 1.210 187 L HN 0.190 nan 8.230 nan 0.000 0.465 188 P HA 0.053 nan 4.420 nan 0.000 0.265 188 P C -2.478 174.495 177.300 -0.546 0.000 1.187 188 P CA -0.632 61.666 63.100 -1.336 0.000 0.766 188 P CB -0.257 30.682 31.700 -1.268 0.000 0.820 189 P HA 0.218 nan 4.420 nan 0.000 0.269 189 P C -0.461 176.761 177.300 -0.130 0.000 1.215 189 P CA 0.129 63.144 63.100 -0.141 0.000 0.780 189 P CB 0.756 32.428 31.700 -0.046 0.000 0.898 190 R N 1.379 121.836 120.500 -0.071 0.000 2.628 190 R HA 0.373 4.713 4.340 -0.000 0.000 0.288 190 R C -0.468 175.762 176.300 -0.118 0.000 0.980 190 R CA -0.829 55.172 56.100 -0.164 0.000 0.891 190 R CB 1.580 31.708 30.300 -0.286 0.000 1.188 190 R HN 0.345 nan 8.270 nan 0.000 0.450 191 N N 3.180 121.757 118.700 -0.205 0.000 2.469 191 N HA 0.118 4.858 4.740 -0.000 0.000 0.239 191 N C -1.259 174.093 175.510 -0.263 0.000 1.053 191 N CA -0.236 52.745 53.050 -0.116 0.000 0.937 191 N CB 0.298 38.731 38.487 -0.090 0.000 1.163 191 N HN 0.398 nan 8.380 nan 0.000 0.509 192 F N 4.859 124.761 119.950 -0.080 0.000 2.406 192 F HA 0.280 4.807 4.527 -0.000 0.000 0.358 192 F C 0.282 176.140 175.800 0.095 0.000 1.161 192 F CA -0.581 57.333 58.000 -0.145 0.000 1.185 192 F CB -0.312 38.749 39.000 0.102 0.000 1.421 192 F HN 0.312 nan 8.300 nan 0.000 0.576 193 F N 1.375 121.434 119.950 0.181 0.000 3.067 193 F HA -0.207 4.320 4.527 -0.000 0.000 0.279 193 F C 1.344 177.290 175.800 0.243 0.000 0.945 193 F CA 0.672 58.769 58.000 0.161 0.000 0.948 193 F CB -1.707 37.330 39.000 0.062 0.000 0.898 193 F HN 0.756 nan 8.300 nan 0.000 0.746 194 G N -1.352 107.600 108.800 0.253 0.000 2.176 194 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.232 194 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.232 194 G C -0.125 174.858 174.900 0.139 0.000 0.986 194 G CA -0.151 45.054 45.100 0.176 0.000 0.643 194 G HN 0.393 nan 8.290 nan 0.000 0.522 195 I N 1.650 122.335 120.570 0.192 0.000 2.389 195 I HA 0.472 4.642 4.170 -0.000 0.000 0.288 195 I C 0.390 176.603 176.117 0.161 0.000 0.999 195 I CA -1.467 59.898 61.300 0.108 0.000 1.129 195 I CB 1.485 39.468 38.000 -0.028 0.000 1.288 195 I HN -0.119 nan 8.210 nan 0.000 0.444 196 V N 5.233 125.207 119.914 0.099 0.000 2.432 196 V HA 0.268 4.388 4.120 -0.000 0.000 0.271 196 V C 0.624 176.774 176.094 0.093 0.000 1.046 196 V CA -0.220 62.138 62.300 0.096 0.000 0.945 196 V CB 1.424 33.286 31.823 0.065 0.000 0.992 196 V HN 0.839 nan 8.190 nan 0.000 0.471 197 S N 3.456 119.240 115.700 0.139 0.000 2.462 197 S HA 0.387 4.857 4.470 -0.000 0.000 0.294 197 S C 0.496 175.117 174.600 0.035 0.000 1.144 197 S CA -0.620 57.630 58.200 0.084 0.000 1.088 197 S CB 1.152 64.447 63.200 0.158 0.000 1.009 197 S HN 0.821 nan 8.310 nan 0.000 0.484 198 E N 2.717 122.909 120.200 -0.013 0.000 2.501 198 E HA 0.347 4.697 4.350 -0.000 0.000 0.201 198 E C 0.599 177.178 176.600 -0.036 0.000 1.016 198 E CA -0.228 56.166 56.400 -0.011 0.000 0.920 198 E CB 0.813 30.517 29.700 0.008 0.000 1.023 198 E HN 0.776 nan 8.360 nan 0.000 0.474 199 G N 0.740 109.489 108.800 -0.085 0.000 2.430 199 G HA2 0.434 4.394 3.960 -0.000 0.000 0.300 199 G HA3 0.434 4.394 3.960 -0.000 0.000 0.300 199 G C -1.857 172.925 174.900 -0.196 0.000 1.330 199 G CA -0.833 44.202 45.100 -0.108 0.000 0.813 199 G HN 0.018 nan 8.290 nan 0.000 0.487 200 M N 0.089 119.580 119.600 -0.181 0.000 2.386 200 M HA 0.687 5.167 4.480 -0.000 0.000 0.293 200 M C -1.395 174.822 176.300 -0.139 0.000 1.120 200 M CA -0.761 54.410 55.300 -0.214 0.000 0.909 200 M CB 1.730 34.288 32.600 -0.071 0.000 1.661 200 M HN 0.343 nan 8.290 nan 0.000 0.452 201 F N 3.365 123.313 119.950 -0.003 0.000 2.471 201 F HA 0.282 4.809 4.527 -0.000 0.000 0.353 201 F C 0.035 175.836 175.800 0.001 0.000 1.113 201 F CA -0.398 57.600 58.000 -0.003 0.000 1.262 201 F CB 0.138 39.132 39.000 -0.011 0.000 1.146 201 F HN 0.330 nan 8.300 nan 0.000 0.578 202 L N 2.295 123.648 121.223 0.217 0.000 2.453 202 L HA 0.500 4.840 4.340 -0.000 0.000 0.272 202 L C 0.549 177.477 176.870 0.097 0.000 1.182 202 L CA 0.217 55.127 54.840 0.116 0.000 0.858 202 L CB 0.064 42.169 42.059 0.078 0.000 1.120 202 L HN 0.753 nan 8.230 nan 0.000 0.474 203 G N 1.720 110.563 108.800 0.071 0.000 2.646 203 G HA2 0.828 4.787 3.960 -0.000 0.000 0.291 203 G HA3 0.828 4.787 3.960 -0.000 0.000 0.291 203 G C -2.137 172.785 174.900 0.038 0.000 1.445 203 G CA -0.015 45.116 45.100 0.051 0.000 0.814 203 G HN 0.810 nan 8.290 nan 0.000 0.495 204 A N -0.876 121.960 122.820 0.027 0.000 2.540 204 A HA 0.838 5.158 4.320 -0.000 0.000 0.297 204 A C 0.987 178.581 177.584 0.017 0.000 1.056 204 A CA 0.616 52.666 52.037 0.021 0.000 0.700 204 A CB 1.069 20.080 19.000 0.017 0.000 1.280 204 A HN 2.641 nan 8.150 nan 0.000 0.398 205 G N 2.087 110.897 108.800 0.017 0.000 3.609 205 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.370 205 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.370 205 G C 0.771 175.679 174.900 0.013 0.000 1.603 205 G CA 1.505 46.614 45.100 0.014 0.000 1.576 205 G HN 1.725 nan 8.290 nan 0.000 0.800 206 E N 2.173 122.378 120.200 0.009 0.000 2.301 206 E HA 0.436 4.786 4.350 -0.000 0.000 0.195 206 E C 1.002 177.606 176.600 0.005 0.000 1.171 206 E CA 0.445 56.849 56.400 0.006 0.000 1.142 206 E CB -0.570 29.131 29.700 0.002 0.000 1.218 206 E HN 1.941 nan 8.360 nan 0.000 0.448 207 G N -0.048 108.759 108.800 0.012 0.000 2.549 207 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.404 207 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.404 207 G C -0.437 174.472 174.900 0.015 0.000 1.292 207 G CA -0.520 44.589 45.100 0.015 0.000 0.935 207 G HN 0.159 nan 8.290 nan 0.000 0.512 208 V N 0.662 120.584 119.914 0.013 0.000 2.673 208 V HA 0.279 4.399 4.120 -0.000 0.000 0.303 208 V C 0.959 177.023 176.094 -0.049 0.000 1.046 208 V CA -0.122 62.177 62.300 -0.003 0.000 1.126 208 V CB 1.006 32.805 31.823 -0.040 0.000 0.934 208 V HN 0.650 nan 8.190 nan 0.000 0.487 209 L N 6.235 127.432 121.223 -0.044 0.000 2.418 209 L HA 0.223 4.563 4.340 -0.000 0.000 0.274 209 L C 0.993 177.796 176.870 -0.111 0.000 1.135 209 L CA 0.757 55.563 54.840 -0.056 0.000 0.870 209 L CB 0.141 42.184 42.059 -0.028 0.000 1.154 209 L HN 0.597 nan 8.230 nan 0.000 0.462 210 K N 1.576 121.914 120.400 -0.102 0.000 2.402 210 K HA 0.201 4.521 4.320 -0.000 0.000 0.204 210 K C 0.463 177.007 176.600 -0.093 0.000 1.056 210 K CA 0.038 56.247 56.287 -0.131 0.000 1.069 210 K CB 0.439 32.866 32.500 -0.122 0.000 0.888 210 K HN 0.334 nan 8.250 nan 0.000 0.546 211 N N 1.067 119.726 118.700 -0.067 0.000 2.553 211 N HA 0.086 4.826 4.740 -0.000 0.000 0.298 211 N C -1.162 174.324 175.510 -0.039 0.000 1.596 211 N CA -0.171 52.850 53.050 -0.049 0.000 0.910 211 N CB 0.723 39.187 38.487 -0.038 0.000 1.336 211 N HN -0.205 nan 8.380 nan 0.000 0.497 212 V N 1.195 121.083 119.914 -0.043 0.000 2.655 212 V HA 0.088 4.207 4.120 -0.000 0.000 0.300 212 V C 0.760 176.841 176.094 -0.022 0.000 1.044 212 V CA -0.116 62.167 62.300 -0.029 0.000 1.095 212 V CB 0.741 32.548 31.823 -0.026 0.000 0.952 212 V HN 0.172 nan 8.190 nan 0.000 0.485 213 K N 3.370 123.761 120.400 -0.015 0.000 2.144 213 K HA 0.731 5.051 4.320 -0.000 0.000 0.270 213 K C 0.030 176.625 176.600 -0.008 0.000 1.005 213 K CA 0.549 56.829 56.287 -0.012 0.000 0.932 213 K CB 0.931 33.425 32.500 -0.010 0.000 1.021 213 K HN 1.127 nan 8.250 nan 0.000 0.462 214 G N 2.334 111.129 108.800 -0.008 0.000 2.340 214 G HA2 0.031 3.991 3.960 -0.000 0.000 0.527 214 G HA3 0.031 3.991 3.960 -0.000 0.000 0.527 214 G C -1.448 173.448 174.900 -0.007 0.000 1.381 214 G CA -0.556 44.541 45.100 -0.006 0.000 1.001 214 G HN 0.699 nan 8.290 nan 0.000 0.626 215 E N 0.148 120.344 120.200 -0.006 0.000 2.349 215 E HA 0.516 4.866 4.350 -0.000 0.000 0.265 215 E C 0.271 176.868 176.600 -0.005 0.000 1.064 215 E CA -0.745 55.651 56.400 -0.007 0.000 0.886 215 E CB 1.551 31.247 29.700 -0.007 0.000 1.036 215 E HN 0.528 nan 8.360 nan 0.000 0.413 216 I N 1.805 122.372 120.570 -0.006 0.000 2.821 216 I HA -0.043 4.127 4.170 -0.000 0.000 0.294 216 I C 1.473 177.589 176.117 -0.002 0.000 1.210 216 I CA 1.780 63.079 61.300 -0.003 0.000 1.430 216 I CB -0.175 37.823 38.000 -0.004 0.000 1.356 216 I HN 1.009 nan 8.210 nan 0.000 0.563 217 G N 4.004 112.806 108.800 0.002 0.000 2.205 217 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.261 217 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.261 217 G C 0.506 175.406 174.900 -0.001 0.000 0.980 217 G CA -0.052 45.048 45.100 0.000 0.000 0.632 217 G HN 1.023 nan 8.290 nan 0.000 0.533 218 G N -0.631 108.168 108.800 -0.000 0.000 2.537 218 G HA2 0.619 4.578 3.960 -0.000 0.000 0.297 218 G HA3 0.619 4.578 3.960 -0.000 0.000 0.297 218 G C 0.056 174.958 174.900 0.002 0.000 1.310 218 G CA -0.823 44.276 45.100 -0.002 0.000 1.027 218 G HN 0.414 nan 8.290 nan 0.000 0.505 219 L N 1.853 123.076 121.223 0.001 0.000 2.367 219 L HA 0.280 4.620 4.340 -0.000 0.000 0.275 219 L C -1.656 175.217 176.870 0.005 0.000 1.129 219 L CA -1.485 53.357 54.840 0.004 0.000 0.839 219 L CB 0.466 42.525 42.059 0.001 0.000 1.133 219 L HN 0.312 nan 8.230 nan 0.000 0.453 220 P HA 0.221 nan 4.420 nan 0.000 0.275 220 P C -0.771 176.531 177.300 0.005 0.000 1.228 220 P CA -0.382 62.723 63.100 0.007 0.000 0.786 220 P CB 1.110 32.818 31.700 0.013 0.000 0.927 221 K N 0.529 120.930 120.400 0.001 0.000 2.259 221 K HA 0.510 4.830 4.320 -0.000 0.000 0.252 221 K C 0.610 177.209 176.600 -0.000 0.000 0.936 221 K CA -0.495 55.791 56.287 -0.000 0.000 0.810 221 K CB 1.494 33.993 32.500 -0.002 0.000 1.143 221 K HN 0.752 nan 8.250 nan 0.000 0.427 222 G N 2.160 110.960 108.800 0.001 0.000 2.160 222 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.251 222 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.251 222 G C 0.159 175.060 174.900 0.002 0.000 1.008 222 G CA -0.403 44.697 45.100 0.001 0.000 0.724 222 G HN 0.439 nan 8.290 nan 0.000 0.514 223 I N 1.389 121.961 120.570 0.005 0.000 2.662 223 I HA 0.152 4.322 4.170 -0.000 0.000 0.285 223 I C -1.321 174.801 176.117 0.008 0.000 1.161 223 I CA -2.404 58.900 61.300 0.007 0.000 1.415 223 I CB -0.164 37.843 38.000 0.013 0.000 1.385 223 I HN -0.047 nan 8.210 nan 0.000 0.552 224 P HA 0.127 nan 4.420 nan 0.000 0.268 224 P C 1.074 178.381 177.300 0.012 0.000 1.204 224 P CA -0.230 62.875 63.100 0.009 0.000 0.768 224 P CB 0.663 32.368 31.700 0.007 0.000 0.842 225 L N 2.033 123.263 121.223 0.012 0.000 2.191 225 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 225 L C 2.124 179.003 176.870 0.015 0.000 1.103 225 L CA 1.138 55.987 54.840 0.014 0.000 0.769 225 L CB -0.663 41.404 42.059 0.014 0.000 0.908 225 L HN 0.452 nan 8.230 nan 0.000 0.438 226 E N 1.003 121.212 120.200 0.014 0.000 2.204 226 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 226 E C 2.103 178.713 176.600 0.017 0.000 0.990 226 E CA 1.316 57.725 56.400 0.015 0.000 0.821 226 E CB -0.462 29.246 29.700 0.013 0.000 0.750 226 E HN 0.431 nan 8.360 nan 0.000 0.477 227 A N 1.229 124.060 122.820 0.019 0.000 2.178 227 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 227 A C 2.195 179.795 177.584 0.028 0.000 1.157 227 A CA 0.665 52.717 52.037 0.024 0.000 0.689 227 A CB -0.613 18.401 19.000 0.023 0.000 0.787 227 A HN 0.237 nan 8.150 nan 0.000 0.465 228 L N -0.806 120.431 121.223 0.022 0.000 2.567 228 L HA 0.023 4.363 4.340 -0.000 0.000 0.225 228 L C 1.639 178.518 176.870 0.016 0.000 1.119 228 L CA -0.085 54.767 54.840 0.021 0.000 0.871 228 L CB -0.363 41.706 42.059 0.017 0.000 1.036 228 L HN 0.215 nan 8.230 nan 0.000 0.459 229 N N 1.138 119.847 118.700 0.016 0.000 2.142 229 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 229 N C 1.643 177.161 175.510 0.013 0.000 1.023 229 N CA 1.467 54.524 53.050 0.011 0.000 0.852 229 N CB -0.138 38.356 38.487 0.013 0.000 0.998 229 N HN 0.502 nan 8.380 nan 0.000 0.424 230 E N 0.003 120.216 120.200 0.021 0.000 2.077 230 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 230 E C 1.592 178.204 176.600 0.020 0.000 0.989 230 E CA 1.436 57.850 56.400 0.024 0.000 0.800 230 E CB -0.536 29.184 29.700 0.033 0.000 0.746 230 E HN 0.193 nan 8.360 nan 0.000 0.452 231 T N 0.994 115.560 114.554 0.021 0.000 2.746 231 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 231 T C 1.832 176.536 174.700 0.008 0.000 1.039 231 T CA 1.424 63.534 62.100 0.018 0.000 1.142 231 T CB -0.187 68.695 68.868 0.024 0.000 0.866 231 T HN 0.156 nan 8.240 nan 0.000 0.444 232 R N 1.072 121.570 120.500 -0.004 0.000 2.083 232 R HA -0.083 4.256 4.340 -0.000 0.000 0.237 232 R C 2.276 178.560 176.300 -0.026 0.000 1.137 232 R CA 1.824 57.905 56.100 -0.031 0.000 0.951 232 R CB -0.332 29.944 30.300 -0.041 0.000 0.851 232 R HN 0.517 nan 8.270 nan 0.000 0.434 233 N N -0.321 118.375 118.700 -0.006 0.000 2.094 233 N HA -0.210 4.529 4.740 -0.000 0.000 0.191 233 N C 1.778 177.300 175.510 0.020 0.000 1.023 233 N CA 1.160 54.213 53.050 0.005 0.000 0.857 233 N CB -0.166 38.329 38.487 0.013 0.000 1.013 233 N HN 0.293 nan 8.380 nan 0.000 0.426 234 A N 0.836 123.669 122.820 0.023 0.000 1.902 234 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 234 A C 2.437 180.063 177.584 0.070 0.000 1.181 234 A CA 1.098 53.155 52.037 0.032 0.000 0.623 234 A CB -0.687 18.319 19.000 0.010 0.000 0.818 234 A HN 0.099 nan 8.150 nan 0.000 0.443 235 V N 0.240 120.195 119.914 0.067 0.000 2.295 235 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 235 V C 2.414 178.601 176.094 0.154 0.000 1.049 235 V CA 2.272 64.653 62.300 0.134 0.000 1.024 235 V CB -0.931 30.939 31.823 0.079 0.000 0.648 235 V HN 0.635 nan 8.190 nan 0.000 0.447 236 E N 0.421 120.655 120.200 0.057 0.000 2.070 236 E HA -0.268 4.081 4.350 -0.000 0.000 0.197 236 E C 2.341 178.987 176.600 0.077 0.000 1.004 236 E CA 1.478 57.908 56.400 0.051 0.000 0.805 236 E CB -0.388 29.315 29.700 0.005 0.000 0.744 236 E HN 0.604 nan 8.360 nan 0.000 0.451 237 A N 1.252 124.121 122.820 0.080 0.000 1.883 237 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 237 A C 2.011 179.669 177.584 0.122 0.000 1.186 237 A CA 1.368 53.452 52.037 0.078 0.000 0.624 237 A CB -0.796 18.242 19.000 0.063 0.000 0.822 237 A HN 0.338 nan 8.150 nan 0.000 0.444 238 F N 0.677 120.629 119.950 0.003 0.000 2.095 238 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 238 F C 1.881 177.707 175.800 0.043 0.000 1.104 238 F CA 1.690 59.696 58.000 0.011 0.000 1.232 238 F CB -0.418 38.592 39.000 0.016 0.000 0.987 238 F HN 0.143 nan 8.300 nan 0.000 0.475 239 L N -0.502 120.692 121.223 -0.048 0.000 2.141 239 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 239 L C 1.410 178.215 176.870 -0.109 0.000 1.094 239 L CA 0.795 55.551 54.840 -0.140 0.000 0.763 239 L CB -0.658 41.429 42.059 0.046 0.000 0.908 239 L HN 0.021 nan 8.230 nan 0.000 0.437 240 K N 0.000 120.374 120.400 -0.043 0.000 2.780 240 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 240 K CA 0.000 56.270 56.287 -0.028 0.000 0.838 240 K CB 0.000 32.502 32.500 0.004 0.000 1.064 240 K HN 0.000 nan 8.250 nan 0.000 0.543