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 1fhf_1_A DATA FIRST_RESID 1 DATA SEQUENCE QLTPTFYRET cPNLFPIVFG VIFDASFTDP RIGASLMRLH FHDcFVQGcD DATA SEQUENCE GSVLLNNTDT IESEQDALPN INSIRGLDVV NDIKTAVENS cPDTVScADI DATA SEQUENCE LAIAAEIASV LGGGPGWPVP LGRRDSLTAN RTLANQNLPA PFFNLTQLKA DATA SEQUENCE SFAVQGLNTL DLVTLSGGHT FGRARcSTFI NRLYNFSNTG NPDPTLNTTY DATA SEQUENCE LEVLRARcPQ NATGDNLTNL DLSTPDQFDN RYYSNLLQLN GLLQSDQELF DATA SEQUENCE STPGADTIPI VNSFSSNQNT FFSNFRVSMI KMGNIGVLTG DEGEIRLQcN DATA SEQUENCE FVNG 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.009 176.000 0.015 0.000 1.003 1 Q CA 0.000 55.811 55.803 0.013 0.000 1.022 1 Q CB 0.000 28.753 28.738 0.025 0.000 1.108 2 L N 1.836 123.051 121.223 -0.014 0.000 2.678 2 L HA 0.029 4.369 4.340 0.001 0.000 0.285 2 L C 0.842 177.735 176.870 0.037 0.000 1.233 2 L CA 1.060 55.886 54.840 -0.023 0.000 0.920 2 L CB 0.019 42.069 42.059 -0.016 0.000 1.176 2 L HN 0.455 nan 8.230 nan 0.000 0.495 3 T N 3.562 118.163 114.554 0.079 0.000 2.893 3 T HA 0.451 4.802 4.350 0.001 0.000 0.293 3 T C -1.872 172.921 174.700 0.156 0.000 1.027 3 T CA -1.821 60.351 62.100 0.121 0.000 0.988 3 T CB 2.070 71.029 68.868 0.151 0.000 1.043 3 T HN 0.380 nan 8.240 nan 0.000 0.461 4 P HA 0.046 nan 4.420 nan 0.000 0.230 4 P C 0.864 178.243 177.300 0.132 0.000 1.158 4 P CA 0.769 63.943 63.100 0.122 0.000 0.769 4 P CB -0.114 31.623 31.700 0.063 0.000 0.807 5 T N -5.610 109.022 114.554 0.130 0.000 3.174 5 T HA 0.161 4.511 4.350 0.001 0.000 0.269 5 T C 1.085 175.864 174.700 0.133 0.000 1.017 5 T CA -0.529 61.637 62.100 0.109 0.000 0.899 5 T CB -1.220 67.670 68.868 0.037 0.000 1.077 5 T HN -0.188 nan 8.240 nan 0.000 0.552 6 F N 1.974 121.937 119.950 0.021 0.000 2.271 6 F HA -0.118 4.410 4.527 0.000 0.000 0.302 6 F C 0.740 176.360 175.800 -0.299 0.000 1.063 6 F CA 1.091 58.998 58.000 -0.155 0.000 1.362 6 F CB -0.204 38.655 39.000 -0.235 0.000 1.060 6 F HN 0.316 nan 8.300 nan 0.000 0.521 7 Y N -1.497 118.862 120.300 0.098 0.000 2.531 7 Y HA 0.224 4.775 4.550 0.001 0.000 0.249 7 Y C 1.878 177.774 175.900 -0.006 0.000 1.168 7 Y CA -0.157 57.960 58.100 0.030 0.000 1.226 7 Y CB -0.456 38.087 38.460 0.138 0.000 1.177 7 Y HN -0.140 nan 8.280 nan 0.000 0.527 8 R N 1.708 122.261 120.500 0.089 0.000 2.159 8 R HA -0.236 4.104 4.340 0.001 0.000 0.252 8 R C 1.411 177.724 176.300 0.021 0.000 1.144 8 R CA 2.662 58.786 56.100 0.039 0.000 0.961 8 R CB -0.065 30.233 30.300 -0.002 0.000 0.877 8 R HN 0.322 nan 8.270 nan 0.000 0.444 9 E N -1.575 118.617 120.200 -0.013 0.000 2.132 9 E HA 0.011 4.362 4.350 0.001 0.000 0.193 9 E C 2.108 178.711 176.600 0.006 0.000 0.951 9 E CA 1.243 57.632 56.400 -0.017 0.000 0.843 9 E CB -0.562 29.107 29.700 -0.052 0.000 0.807 9 E HN 0.297 nan 8.360 nan 0.000 0.467 10 T N 0.917 115.469 114.554 -0.003 0.000 2.665 10 T HA -0.160 4.191 4.350 0.001 0.000 0.268 10 T C 1.268 176.047 174.700 0.130 0.000 1.035 10 T CA 1.318 63.446 62.100 0.047 0.000 1.151 10 T CB -0.138 68.736 68.868 0.009 0.000 0.862 10 T HN 0.153 nan 8.240 nan 0.000 0.438 11 c N 1.748 120.466 118.600 0.197 0.000 3.498 11 c HA 0.413 4.984 4.570 0.001 0.000 0.218 11 c C -1.730 172.429 174.090 0.116 0.000 1.284 11 c CA -1.988 54.429 56.329 0.147 0.000 1.343 11 c CB -0.035 42.559 42.510 0.141 0.000 1.825 11 c HN 0.272 nan 8.230 nan 0.000 0.518 12 P HA -0.196 nan 4.420 nan 0.000 0.219 12 P C 0.263 177.596 177.300 0.054 0.000 1.159 12 P CA 1.823 64.957 63.100 0.056 0.000 0.944 12 P CB -0.047 31.673 31.700 0.033 0.000 0.792 13 N N -1.158 117.571 118.700 0.047 0.000 2.920 13 N HA 0.125 4.865 4.740 0.001 0.000 0.310 13 N C 0.956 176.502 175.510 0.061 0.000 1.384 13 N CA -0.431 52.648 53.050 0.050 0.000 1.083 13 N CB -0.029 38.477 38.487 0.032 0.000 1.389 13 N HN -0.018 nan 8.380 nan 0.000 0.521 14 L N 0.354 121.626 121.223 0.081 0.000 1.973 14 L HA 0.037 4.378 4.340 0.001 0.000 0.208 14 L C 1.616 178.530 176.870 0.073 0.000 1.073 14 L CA 1.731 56.596 54.840 0.042 0.000 0.746 14 L CB -0.696 41.359 42.059 -0.007 0.000 0.891 14 L HN 0.158 nan 8.230 nan 0.000 0.433 15 F N 0.271 120.188 119.950 -0.056 0.000 2.043 15 F HA -0.184 4.344 4.527 0.000 0.000 0.297 15 F C -0.122 175.676 175.800 -0.003 0.000 1.118 15 F CA 2.473 60.450 58.000 -0.039 0.000 1.202 15 F CB -2.215 36.746 39.000 -0.065 0.000 0.965 15 F HN 0.178 nan 8.300 nan 0.000 0.482 16 P HA -0.222 nan 4.420 nan 0.000 0.216 16 P C 1.980 179.336 177.300 0.093 0.000 1.154 16 P CA 1.811 64.963 63.100 0.087 0.000 0.865 16 P CB -0.094 31.632 31.700 0.043 0.000 0.789 17 I N -0.964 119.636 120.570 0.051 0.000 2.113 17 I HA -0.217 3.953 4.170 0.001 0.000 0.238 17 I C 2.420 178.539 176.117 0.002 0.000 1.070 17 I CA 1.572 62.886 61.300 0.022 0.000 1.332 17 I CB -1.057 36.941 38.000 -0.002 0.000 1.044 17 I HN -0.120 nan 8.210 nan 0.000 0.402 18 V N 0.522 120.408 119.914 -0.047 0.000 2.407 18 V HA -0.320 3.800 4.120 0.001 0.000 0.248 18 V C 2.337 178.392 176.094 -0.065 0.000 1.055 18 V CA 1.761 64.002 62.300 -0.098 0.000 1.049 18 V CB -0.601 31.102 31.823 -0.200 0.000 0.662 18 V HN 0.382 nan 8.190 nan 0.000 0.455 19 F N 2.141 122.003 119.950 -0.147 0.000 2.102 19 F HA 0.053 4.581 4.527 0.000 0.000 0.298 19 F C 2.271 178.042 175.800 -0.048 0.000 1.105 19 F CA 2.155 60.090 58.000 -0.109 0.000 1.239 19 F CB -0.959 37.989 39.000 -0.088 0.000 0.991 19 F HN 0.252 nan 8.300 nan 0.000 0.474 20 G N -0.166 108.716 108.800 0.137 0.000 2.446 20 G HA2 -0.232 3.728 3.960 0.001 0.000 0.217 20 G HA3 -0.232 3.728 3.960 0.001 0.000 0.217 20 G C 1.775 176.660 174.900 -0.024 0.000 1.168 20 G CA 1.244 46.397 45.100 0.088 0.000 0.771 20 G HN 0.333 nan 8.290 nan 0.000 0.551 21 V N 1.547 121.424 119.914 -0.063 0.000 2.231 21 V HA -0.229 3.891 4.120 0.001 0.000 0.248 21 V C 2.829 178.817 176.094 -0.177 0.000 1.054 21 V CA 1.989 64.222 62.300 -0.110 0.000 1.015 21 V CB -0.514 31.251 31.823 -0.096 0.000 0.638 21 V HN 0.434 nan 8.190 nan 0.000 0.444 22 I N -0.966 119.485 120.570 -0.199 0.000 2.335 22 I HA -0.261 3.909 4.170 0.001 0.000 0.251 22 I C 2.323 178.275 176.117 -0.274 0.000 1.129 22 I CA 1.721 62.880 61.300 -0.235 0.000 1.402 22 I CB -0.487 37.362 38.000 -0.251 0.000 1.069 22 I HN 0.318 nan 8.210 nan 0.000 0.424 23 F N 2.212 121.870 119.950 -0.486 0.000 2.113 23 F HA -0.218 4.309 4.527 0.001 0.000 0.297 23 F C 2.173 177.539 175.800 -0.723 0.000 1.103 23 F CA 1.726 59.424 58.000 -0.504 0.000 1.248 23 F CB -0.333 38.403 39.000 -0.441 0.000 0.999 23 F HN 0.063 nan 8.300 nan 0.000 0.475 24 D N 0.341 120.245 120.400 -0.827 0.000 2.178 24 D HA -0.080 4.561 4.640 0.001 0.000 0.202 24 D C 2.206 177.956 176.300 -0.917 0.000 0.974 24 D CA 1.264 54.433 54.000 -1.385 0.000 0.841 24 D CB -0.530 39.892 40.800 -0.631 0.000 0.953 24 D HN 0.366 nan 8.370 nan 0.000 0.478 25 A N 0.796 123.310 122.820 -0.510 0.000 2.248 25 A HA -0.066 4.254 4.320 0.001 0.000 0.210 25 A C 2.101 179.520 177.584 -0.274 0.000 1.174 25 A CA 1.361 53.215 52.037 -0.306 0.000 0.750 25 A CB -0.257 18.613 19.000 -0.216 0.000 0.780 25 A HN 0.258 nan 8.150 nan 0.000 0.478 26 S N -2.094 113.379 115.700 -0.379 0.000 2.511 26 S HA 0.140 4.610 4.470 0.001 0.000 0.214 26 S C 1.264 175.810 174.600 -0.089 0.000 0.997 26 S CA -0.099 57.967 58.200 -0.224 0.000 0.908 26 S CB -0.522 62.546 63.200 -0.220 0.000 0.803 26 S HN 0.228 nan 8.310 nan 0.000 0.504 27 F N 4.001 123.799 119.950 -0.254 0.000 2.250 27 F HA 0.005 4.533 4.527 0.001 0.000 0.301 27 F C 2.570 178.289 175.800 -0.135 0.000 1.077 27 F CA 1.186 59.056 58.000 -0.218 0.000 1.348 27 F CB -1.254 37.622 39.000 -0.207 0.000 1.040 27 F HN 0.540 nan 8.300 nan 0.000 0.509 28 T N -4.960 109.633 114.554 0.066 0.000 3.040 28 T HA 0.175 4.525 4.350 0.001 0.000 0.266 28 T C -0.154 174.537 174.700 -0.015 0.000 1.005 28 T CA -0.021 62.090 62.100 0.018 0.000 0.906 28 T CB 0.313 69.188 68.868 0.011 0.000 1.082 28 T HN -0.007 nan 8.240 nan 0.000 0.531 29 D N 2.116 122.494 120.400 -0.037 0.000 2.323 29 D HA 0.296 4.936 4.640 0.001 0.000 0.242 29 D C -2.519 173.745 176.300 -0.060 0.000 1.347 29 D CA -1.982 51.988 54.000 -0.050 0.000 0.988 29 D CB 2.071 42.833 40.800 -0.063 0.000 1.314 29 D HN -0.054 nan 8.370 nan 0.000 0.564 30 P HA 0.081 nan 4.420 nan 0.000 0.259 30 P C 0.550 177.810 177.300 -0.067 0.000 1.480 30 P CA 0.112 63.189 63.100 -0.037 0.000 0.842 30 P CB 0.198 31.893 31.700 -0.009 0.000 1.513 31 R N -0.631 119.812 120.500 -0.095 0.000 2.513 31 R HA 0.141 4.482 4.340 0.001 0.000 0.245 31 R C 1.728 177.927 176.300 -0.169 0.000 0.908 31 R CA -0.219 55.795 56.100 -0.143 0.000 1.023 31 R CB -0.186 30.051 30.300 -0.106 0.000 1.338 31 R HN -0.092 nan 8.270 nan 0.000 0.575 32 I N 1.510 122.001 120.570 -0.132 0.000 2.399 32 I HA -0.103 4.067 4.170 0.001 0.000 0.254 32 I C 1.746 177.779 176.117 -0.139 0.000 1.146 32 I CA 1.754 62.978 61.300 -0.127 0.000 1.412 32 I CB -0.408 37.521 38.000 -0.119 0.000 1.076 32 I HN 0.283 nan 8.210 nan 0.000 0.432 33 G N -0.208 108.497 108.800 -0.158 0.000 2.434 33 G HA2 -0.228 3.732 3.960 0.001 0.000 0.214 33 G HA3 -0.228 3.732 3.960 0.001 0.000 0.214 33 G C 1.762 176.545 174.900 -0.195 0.000 1.202 33 G CA 0.783 45.804 45.100 -0.132 0.000 0.788 33 G HN 0.570 nan 8.290 nan 0.000 0.539 34 A N 0.671 123.170 122.820 -0.535 0.000 1.908 34 A HA -0.021 4.299 4.320 0.001 0.000 0.218 34 A C 2.704 180.170 177.584 -0.198 0.000 1.181 34 A CA 2.365 53.983 52.037 -0.697 0.000 0.627 34 A CB -0.712 17.602 19.000 -1.143 0.000 0.818 34 A HN 0.320 nan 8.150 nan 0.000 0.445 35 S N -0.139 115.456 115.700 -0.175 0.000 2.370 35 S HA -0.125 4.345 4.470 0.001 0.000 0.226 35 S C 1.825 176.397 174.600 -0.048 0.000 1.033 35 S CA 1.541 59.685 58.200 -0.093 0.000 1.011 35 S CB -0.470 62.672 63.200 -0.096 0.000 0.852 35 S HN 0.521 nan 8.310 nan 0.000 0.457 36 L N 0.793 121.989 121.223 -0.044 0.000 2.046 36 L HA -0.117 4.224 4.340 0.001 0.000 0.208 36 L C 2.581 179.486 176.870 0.059 0.000 1.077 36 L CA 1.234 56.067 54.840 -0.011 0.000 0.747 36 L CB -0.481 41.555 42.059 -0.039 0.000 0.896 36 L HN 0.389 nan 8.230 nan 0.000 0.432 37 M N -0.113 119.551 119.600 0.106 0.000 2.065 37 M HA -0.271 4.210 4.480 0.001 0.000 0.259 37 M C 2.531 178.979 176.300 0.247 0.000 1.071 37 M CA 1.799 57.228 55.300 0.214 0.000 1.109 37 M CB -0.284 32.517 32.600 0.334 0.000 1.313 37 M HN 0.077 nan 8.290 nan 0.000 0.408 38 R N 0.232 120.853 120.500 0.201 0.000 2.211 38 R HA -0.197 4.144 4.340 0.001 0.000 0.240 38 R C 1.992 178.338 176.300 0.076 0.000 1.144 38 R CA 1.326 57.542 56.100 0.194 0.000 0.992 38 R CB -0.378 29.979 30.300 0.094 0.000 0.869 38 R HN 0.412 nan 8.270 nan 0.000 0.462 39 L N -0.057 121.194 121.223 0.047 0.000 2.072 39 L HA -0.138 4.202 4.340 0.001 0.000 0.205 39 L C 2.165 179.102 176.870 0.112 0.000 1.079 39 L CA 2.064 56.911 54.840 0.012 0.000 0.752 39 L CB -0.721 41.344 42.059 0.010 0.000 0.906 39 L HN 0.239 nan 8.230 nan 0.000 0.436 40 H N -1.511 117.612 119.070 0.088 0.000 2.421 40 H HA -0.244 4.312 4.556 0.000 0.000 0.298 40 H C 2.004 177.444 175.328 0.186 0.000 1.087 40 H CA 2.009 58.125 56.048 0.113 0.000 1.330 40 H CB -0.331 29.500 29.762 0.116 0.000 1.388 40 H HN 0.459 nan 8.280 nan 0.000 0.526 41 F N -0.211 119.747 119.950 0.014 0.000 2.113 41 F HA -0.181 4.346 4.527 0.000 0.000 0.297 41 F C 2.134 177.930 175.800 -0.007 0.000 1.103 41 F CA 1.492 59.459 58.000 -0.054 0.000 1.248 41 F CB -0.265 38.739 39.000 0.006 0.000 0.999 41 F HN 0.301 nan 8.300 nan 0.000 0.475 42 H N -1.098 117.741 119.070 -0.385 0.000 2.546 42 H HA -0.132 4.425 4.556 0.001 0.000 0.277 42 H C 1.249 176.432 175.328 -0.242 0.000 1.004 42 H CA 0.766 56.532 56.048 -0.471 0.000 1.231 42 H CB 0.018 29.604 29.762 -0.292 0.000 1.382 42 H HN 0.421 nan 8.280 nan 0.000 0.580 43 D N 0.114 120.489 120.400 -0.043 0.000 2.146 43 D HA -0.100 4.540 4.640 0.001 0.000 0.209 43 D C 2.265 178.535 176.300 -0.050 0.000 0.973 43 D CA 0.782 54.757 54.000 -0.042 0.000 0.860 43 D CB -0.414 40.369 40.800 -0.029 0.000 1.015 43 D HN 0.165 nan 8.370 nan 0.000 0.465 44 c N 0.062 118.619 118.600 -0.073 0.000 2.398 44 c HA -0.148 4.422 4.570 0.001 0.000 0.276 44 c C 2.505 176.656 174.090 0.101 0.000 1.222 44 c CA 0.440 56.768 56.329 -0.002 0.000 1.746 44 c CB -1.567 40.941 42.510 -0.003 0.000 2.039 44 c HN 0.333 nan 8.230 nan 0.000 0.470 45 F N 0.541 120.383 119.950 -0.180 0.000 2.546 45 F HA 0.071 4.598 4.527 0.001 0.000 0.298 45 F C 0.887 176.588 175.800 -0.164 0.000 1.120 45 F CA 0.743 58.630 58.000 -0.188 0.000 1.456 45 F CB -0.301 38.528 39.000 -0.286 0.000 1.088 45 F HN -0.008 nan 8.300 nan 0.000 0.572 46 V N 0.031 119.946 119.914 0.002 0.000 2.349 46 V HA 0.220 4.341 4.120 0.001 0.000 0.284 46 V C 0.627 176.699 176.094 -0.037 0.000 1.014 46 V CA -0.670 61.609 62.300 -0.036 0.000 0.826 46 V CB 1.202 32.993 31.823 -0.052 0.000 1.009 46 V HN 0.292 nan 8.190 nan 0.000 0.431 47 Q N 3.395 123.170 119.800 -0.042 0.000 2.261 47 Q HA -0.210 4.130 4.340 0.001 0.000 0.155 47 Q C 0.507 176.486 176.000 -0.035 0.000 0.598 47 Q CA 1.833 57.614 55.803 -0.036 0.000 1.376 47 Q CB -0.929 27.794 28.738 -0.026 0.000 1.356 47 Q HN 1.864 nan 8.270 nan 0.000 0.947 48 G N -2.129 106.648 108.800 -0.037 0.000 2.406 48 G HA2 -0.088 3.873 3.960 0.001 0.000 0.680 48 G HA3 -0.088 3.873 3.960 0.001 0.000 0.680 48 G C -0.528 174.357 174.900 -0.025 0.000 1.338 48 G CA -0.493 44.587 45.100 -0.033 0.000 0.941 48 G HN 0.495 nan 8.290 nan 0.000 0.633 49 c N 1.868 120.455 118.600 -0.023 0.000 2.773 49 c HA 0.429 5.000 4.570 0.001 0.000 0.442 49 c C 0.869 174.964 174.090 0.008 0.000 1.028 49 c CA 0.278 56.595 56.329 -0.019 0.000 1.164 49 c CB -1.743 40.764 42.510 -0.004 0.000 1.593 49 c HN 0.748 nan 8.230 nan 0.000 0.557 50 D N -0.695 119.706 120.400 0.003 0.000 2.620 50 D HA 0.204 4.844 4.640 0.001 0.000 0.260 50 D C 1.333 177.638 176.300 0.010 0.000 1.367 50 D CA 0.216 54.221 54.000 0.008 0.000 0.805 50 D CB -0.433 40.366 40.800 -0.001 0.000 1.096 50 D HN 0.535 nan 8.370 nan 0.000 0.488 51 G N 1.258 110.066 108.800 0.015 0.000 2.205 51 G HA2 -0.445 3.516 3.960 0.001 0.000 0.269 51 G HA3 -0.445 3.516 3.960 0.001 0.000 0.269 51 G C 1.395 176.290 174.900 -0.008 0.000 0.977 51 G CA 1.416 46.522 45.100 0.009 0.000 0.652 51 G HN 0.880 nan 8.290 nan 0.000 0.539 52 S N -0.596 115.098 115.700 -0.010 0.000 2.444 52 S HA -0.158 4.313 4.470 0.001 0.000 0.244 52 S C 2.126 176.710 174.600 -0.026 0.000 1.025 52 S CA 2.114 60.304 58.200 -0.017 0.000 0.995 52 S CB -0.400 62.790 63.200 -0.016 0.000 0.781 52 S HN 0.980 nan 8.310 nan 0.000 0.496 53 V N 1.178 121.078 119.914 -0.023 0.000 2.871 53 V HA 0.120 4.241 4.120 0.001 0.000 0.256 53 V C 2.126 178.196 176.094 -0.040 0.000 1.082 53 V CA 1.043 63.327 62.300 -0.025 0.000 1.105 53 V CB -0.791 31.026 31.823 -0.009 0.000 0.713 53 V HN 0.501 nan 8.190 nan 0.000 0.473 54 L N -0.325 120.869 121.223 -0.049 0.000 2.554 54 L HA 0.158 4.499 4.340 0.001 0.000 0.226 54 L C 0.700 177.491 176.870 -0.132 0.000 1.137 54 L CA 0.301 55.095 54.840 -0.077 0.000 0.863 54 L CB -0.215 41.806 42.059 -0.063 0.000 0.985 54 L HN 0.248 nan 8.230 nan 0.000 0.451 55 L N 0.720 121.871 121.223 -0.121 0.000 2.410 55 L HA 0.082 4.422 4.340 0.001 0.000 0.273 55 L C 0.305 177.057 176.870 -0.197 0.000 1.152 55 L CA 0.208 54.945 54.840 -0.173 0.000 0.855 55 L CB 0.312 42.316 42.059 -0.092 0.000 1.129 55 L HN 0.246 nan 8.230 nan 0.000 0.463 56 N N 1.847 120.339 118.700 -0.347 0.000 2.413 56 N HA 0.180 4.920 4.740 0.001 0.000 0.266 56 N C -0.360 175.101 175.510 -0.081 0.000 1.238 56 N CA -0.965 51.933 53.050 -0.253 0.000 0.972 56 N CB 0.528 38.767 38.487 -0.413 0.000 1.210 56 N HN 0.543 nan 8.380 nan 0.000 0.547 57 N N 0.647 119.349 118.700 0.004 0.000 2.468 57 N HA 0.115 4.855 4.740 0.001 0.000 0.265 57 N C -0.702 174.886 175.510 0.130 0.000 1.199 57 N CA 0.661 53.744 53.050 0.056 0.000 0.928 57 N CB 0.673 39.187 38.487 0.044 0.000 1.059 57 N HN 0.420 nan 8.380 nan 0.000 0.467 58 T N 0.040 114.660 114.554 0.110 0.000 2.888 58 T HA 0.252 4.602 4.350 0.001 0.000 0.288 58 T C 0.740 175.480 174.700 0.067 0.000 1.063 58 T CA -0.708 61.464 62.100 0.119 0.000 1.010 58 T CB 1.443 70.394 68.868 0.140 0.000 1.214 58 T HN 0.326 nan 8.240 nan 0.000 0.533 59 D N 0.552 120.982 120.400 0.051 0.000 2.264 59 D HA -0.073 4.567 4.640 0.001 0.000 0.208 59 D C 1.604 177.923 176.300 0.031 0.000 0.966 59 D CA 1.164 55.184 54.000 0.032 0.000 0.864 59 D CB 0.184 40.997 40.800 0.022 0.000 0.933 59 D HN 0.485 nan 8.370 nan 0.000 0.499 60 T N 0.059 114.636 114.554 0.039 0.000 2.990 60 T HA 0.140 4.491 4.350 0.001 0.000 0.250 60 T C 0.722 175.442 174.700 0.033 0.000 1.041 60 T CA -0.260 61.860 62.100 0.033 0.000 1.010 60 T CB 0.213 69.102 68.868 0.034 0.000 1.003 60 T HN 0.175 nan 8.240 nan 0.000 0.499 61 I N -0.981 119.614 120.570 0.041 0.000 2.545 61 I HA 0.650 4.820 4.170 0.001 0.000 0.292 61 I C -1.276 174.856 176.117 0.025 0.000 1.040 61 I CA -1.065 60.253 61.300 0.031 0.000 1.068 61 I CB 2.490 40.510 38.000 0.032 0.000 1.251 61 I HN -0.151 nan 8.210 nan 0.000 0.424 62 E N 4.090 124.299 120.200 0.014 0.000 2.103 62 E HA 0.207 4.557 4.350 0.001 0.000 0.254 62 E C -0.379 176.221 176.600 0.000 0.000 0.940 62 E CA -0.487 55.919 56.400 0.010 0.000 0.771 62 E CB 1.434 31.140 29.700 0.009 0.000 1.153 62 E HN 0.689 nan 8.360 nan 0.000 0.428 63 S N 2.291 117.987 115.700 -0.006 0.000 2.643 63 S HA -0.142 4.328 4.470 0.001 0.000 0.310 63 S C 1.093 175.684 174.600 -0.016 0.000 1.253 63 S CA 0.334 58.523 58.200 -0.019 0.000 1.047 63 S CB 0.424 63.605 63.200 -0.031 0.000 0.767 63 S HN 0.487 nan 8.310 nan 0.000 0.498 64 E N 3.074 123.262 120.200 -0.020 0.000 2.268 64 E HA -0.158 4.192 4.350 0.001 0.000 0.195 64 E C 1.845 178.438 176.600 -0.012 0.000 0.995 64 E CA 0.843 57.232 56.400 -0.018 0.000 0.836 64 E CB -0.072 29.614 29.700 -0.024 0.000 0.763 64 E HN 0.774 nan 8.360 nan 0.000 0.491 65 Q N 0.615 120.406 119.800 -0.014 0.000 2.515 65 Q HA -0.155 4.186 4.340 0.001 0.000 0.215 65 Q C 0.630 176.628 176.000 -0.002 0.000 0.983 65 Q CA 0.767 56.565 55.803 -0.009 0.000 0.905 65 Q CB 0.095 28.819 28.738 -0.023 0.000 0.961 65 Q HN 0.233 nan 8.270 nan 0.000 0.503 66 D N -0.602 119.796 120.400 -0.003 0.000 2.395 66 D HA 0.178 4.819 4.640 0.001 0.000 0.213 66 D C -0.096 176.207 176.300 0.005 0.000 1.110 66 D CA 0.036 54.037 54.000 0.002 0.000 0.835 66 D CB 0.334 41.135 40.800 0.002 0.000 0.965 66 D HN 0.149 nan 8.370 nan 0.000 0.505 67 A N 0.328 123.149 122.820 0.002 0.000 2.332 67 A HA 0.265 4.585 4.320 0.001 0.000 0.258 67 A C 1.612 179.201 177.584 0.008 0.000 1.087 67 A CA -0.391 51.647 52.037 0.001 0.000 0.802 67 A CB 0.427 19.419 19.000 -0.014 0.000 1.042 67 A HN 0.110 nan 8.150 nan 0.000 0.489 68 L N 1.132 122.364 121.223 0.015 0.000 2.021 68 L HA -0.154 4.187 4.340 0.001 0.000 0.215 68 L C -0.213 176.672 176.870 0.024 0.000 1.074 68 L CA 2.009 56.865 54.840 0.026 0.000 0.760 68 L CB -1.354 40.731 42.059 0.044 0.000 0.889 68 L HN 0.657 nan 8.230 nan 0.000 0.433 69 P HA -0.036 nan 4.420 nan 0.000 0.236 69 P C 0.628 177.969 177.300 0.069 0.000 1.177 69 P CA 1.044 64.149 63.100 0.008 0.000 0.773 69 P CB 0.105 31.755 31.700 -0.083 0.000 0.878 70 N N -0.142 118.588 118.700 0.051 0.000 2.436 70 N HA 0.042 4.782 4.740 0.001 0.000 0.178 70 N C 0.828 176.362 175.510 0.040 0.000 1.026 70 N CA -0.179 52.915 53.050 0.075 0.000 0.880 70 N CB -0.542 37.977 38.487 0.053 0.000 1.061 70 N HN 0.104 nan 8.380 nan 0.000 0.434 71 I N 3.231 123.816 120.570 0.025 0.000 2.826 71 I HA -0.145 4.025 4.170 0.001 0.000 0.295 71 I C 0.319 176.445 176.117 0.014 0.000 1.213 71 I CA 0.401 61.711 61.300 0.015 0.000 1.436 71 I CB -0.102 37.906 38.000 0.014 0.000 1.348 71 I HN 0.262 nan 8.210 nan 0.000 0.570 72 N N 3.518 122.222 118.700 0.006 0.000 2.693 72 N HA -0.236 4.504 4.740 0.001 0.000 0.249 72 N C 0.599 176.110 175.510 0.002 0.000 1.119 72 N CA 1.212 54.263 53.050 0.001 0.000 0.717 72 N CB -0.881 37.607 38.487 0.000 0.000 1.071 72 N HN 0.726 nan 8.380 nan 0.000 0.555 73 S N -0.985 114.718 115.700 0.006 0.000 3.608 73 S HA 0.297 4.767 4.470 0.001 0.000 0.234 73 S C 0.611 175.201 174.600 -0.017 0.000 1.077 73 S CA -0.095 58.109 58.200 0.005 0.000 0.827 73 S CB 0.278 63.497 63.200 0.032 0.000 0.964 73 S HN 0.331 nan 8.310 nan 0.000 0.547 74 I N 2.815 123.369 120.570 -0.026 0.000 2.836 74 I HA 0.463 4.633 4.170 0.001 0.000 0.285 74 I C -0.122 175.965 176.117 -0.051 0.000 1.174 74 I CA -0.483 60.777 61.300 -0.068 0.000 1.405 74 I CB 0.291 38.240 38.000 -0.085 0.000 1.385 74 I HN 0.461 nan 8.210 nan 0.000 0.594 75 R N 2.430 122.894 120.500 -0.060 0.000 2.716 75 R HA 0.641 4.981 4.340 0.001 0.000 0.271 75 R C -0.011 176.256 176.300 -0.055 0.000 1.028 75 R CA -0.400 55.670 56.100 -0.051 0.000 0.883 75 R CB 1.272 31.544 30.300 -0.047 0.000 1.250 75 R HN 1.122 nan 8.270 nan 0.000 0.465 76 G N 0.557 109.326 108.800 -0.052 0.000 2.148 76 G HA2 -0.189 3.772 3.960 0.001 0.000 0.203 76 G HA3 -0.189 3.772 3.960 0.001 0.000 0.203 76 G C 0.471 175.340 174.900 -0.052 0.000 0.993 76 G CA 0.137 45.204 45.100 -0.055 0.000 0.661 76 G HN 0.405 nan 8.290 nan 0.000 0.518 77 L N 0.669 121.863 121.223 -0.048 0.000 2.362 77 L HA 0.043 4.384 4.340 0.001 0.000 0.219 77 L C 2.522 179.365 176.870 -0.046 0.000 1.134 77 L CA 2.020 56.831 54.840 -0.048 0.000 0.807 77 L CB -0.636 41.391 42.059 -0.053 0.000 0.927 77 L HN 0.533 nan 8.230 nan 0.000 0.447 78 D N -0.080 120.294 120.400 -0.043 0.000 2.103 78 D HA -0.176 4.464 4.640 0.001 0.000 0.199 78 D C 2.107 178.381 176.300 -0.045 0.000 0.978 78 D CA 0.659 54.636 54.000 -0.038 0.000 0.829 78 D CB -0.478 40.301 40.800 -0.036 0.000 0.981 78 D HN 0.032 nan 8.370 nan 0.000 0.464 79 V N 0.495 120.376 119.914 -0.056 0.000 2.626 79 V HA -0.155 3.965 4.120 0.001 0.000 0.252 79 V C 2.099 178.154 176.094 -0.066 0.000 1.067 79 V CA 1.011 63.270 62.300 -0.068 0.000 1.081 79 V CB -0.072 31.700 31.823 -0.084 0.000 0.686 79 V HN 0.208 nan 8.190 nan 0.000 0.468 80 V N 1.017 120.896 119.914 -0.058 0.000 2.343 80 V HA -0.212 3.908 4.120 0.001 0.000 0.247 80 V C 2.380 178.446 176.094 -0.046 0.000 1.051 80 V CA 2.416 64.684 62.300 -0.054 0.000 1.036 80 V CB -0.880 30.916 31.823 -0.046 0.000 0.654 80 V HN 0.609 nan 8.190 nan 0.000 0.451 81 N N 0.081 118.757 118.700 -0.039 0.000 2.244 81 N HA -0.136 4.605 4.740 0.001 0.000 0.183 81 N C 1.491 176.985 175.510 -0.026 0.000 1.016 81 N CA 1.279 54.313 53.050 -0.026 0.000 0.866 81 N CB -0.339 38.138 38.487 -0.017 0.000 0.980 81 N HN 0.466 nan 8.380 nan 0.000 0.430 82 D N 0.926 121.305 120.400 -0.036 0.000 2.178 82 D HA -0.030 4.610 4.640 0.001 0.000 0.201 82 D C 2.060 178.335 176.300 -0.042 0.000 0.980 82 D CA 0.377 54.354 54.000 -0.038 0.000 0.842 82 D CB -0.069 40.701 40.800 -0.049 0.000 0.948 82 D HN 0.307 nan 8.370 nan 0.000 0.472 83 I N 0.433 120.971 120.570 -0.053 0.000 2.163 83 I HA -0.263 3.908 4.170 0.001 0.000 0.240 83 I C 2.328 178.416 176.117 -0.048 0.000 1.081 83 I CA 0.885 62.148 61.300 -0.062 0.000 1.353 83 I CB -0.151 37.801 38.000 -0.080 0.000 1.054 83 I HN -0.082 nan 8.210 nan 0.000 0.407 84 K N 1.170 121.547 120.400 -0.038 0.000 2.044 84 K HA -0.185 4.135 4.320 0.001 0.000 0.210 84 K C 1.994 178.586 176.600 -0.013 0.000 1.049 84 K CA 2.263 58.536 56.287 -0.023 0.000 0.927 84 K CB -0.702 31.790 32.500 -0.012 0.000 0.713 84 K HN 0.188 nan 8.250 nan 0.000 0.443 85 T N 0.198 114.745 114.554 -0.011 0.000 2.720 85 T HA -0.163 4.187 4.350 0.001 0.000 0.268 85 T C 1.805 176.501 174.700 -0.006 0.000 1.037 85 T CA 1.626 63.724 62.100 -0.004 0.000 1.144 85 T CB -0.512 68.353 68.868 -0.004 0.000 0.864 85 T HN 0.420 nan 8.240 nan 0.000 0.444 86 A N 0.593 123.404 122.820 -0.014 0.000 1.968 86 A HA 0.062 4.382 4.320 0.001 0.000 0.217 86 A C 2.545 180.122 177.584 -0.012 0.000 1.169 86 A CA 0.871 52.900 52.037 -0.012 0.000 0.638 86 A CB -0.671 18.317 19.000 -0.019 0.000 0.812 86 A HN 0.363 nan 8.150 nan 0.000 0.446 87 V N 0.183 120.085 119.914 -0.020 0.000 2.358 87 V HA -0.171 3.949 4.120 0.001 0.000 0.246 87 V C 2.503 178.595 176.094 -0.004 0.000 1.047 87 V CA 1.909 64.196 62.300 -0.022 0.000 1.035 87 V CB -0.643 31.154 31.823 -0.044 0.000 0.658 87 V HN 0.477 nan 8.190 nan 0.000 0.452 88 E N 0.596 120.798 120.200 0.002 0.000 2.077 88 E HA -0.200 4.151 4.350 0.001 0.000 0.193 88 E C 1.954 178.563 176.600 0.015 0.000 0.989 88 E CA 1.225 57.634 56.400 0.014 0.000 0.800 88 E CB -0.596 29.114 29.700 0.016 0.000 0.746 88 E HN 0.706 nan 8.360 nan 0.000 0.452 89 N N 0.123 118.829 118.700 0.010 0.000 2.519 89 N HA -0.103 4.638 4.740 0.001 0.000 0.186 89 N C 1.608 177.126 175.510 0.013 0.000 1.062 89 N CA 0.689 53.745 53.050 0.011 0.000 0.910 89 N CB 0.083 38.575 38.487 0.008 0.000 0.958 89 N HN -0.035 nan 8.380 nan 0.000 0.445 90 S N -0.791 114.917 115.700 0.014 0.000 2.807 90 S HA 0.124 4.595 4.470 0.001 0.000 0.247 90 S C 0.439 175.055 174.600 0.025 0.000 1.078 90 S CA -0.142 58.069 58.200 0.018 0.000 0.867 90 S CB 0.425 63.634 63.200 0.015 0.000 0.797 90 S HN 0.270 nan 8.310 nan 0.000 0.515 91 c N 3.911 122.528 118.600 0.029 0.000 2.842 91 c HA 0.522 5.092 4.570 0.001 0.000 0.311 91 c C -2.678 171.441 174.090 0.049 0.000 1.312 91 c CA -1.849 54.508 56.329 0.047 0.000 1.651 91 c CB -0.470 42.078 42.510 0.062 0.000 1.826 91 c HN 0.420 nan 8.230 nan 0.000 0.491 92 P HA -0.054 nan 4.420 nan 0.000 0.257 92 P C 0.644 177.974 177.300 0.051 0.000 1.153 92 P CA 1.456 64.579 63.100 0.039 0.000 0.762 92 P CB 0.287 32.006 31.700 0.031 0.000 0.743 93 D N 2.852 123.284 120.400 0.052 0.000 2.916 93 D HA -0.247 4.393 4.640 0.001 0.000 0.211 93 D C 0.109 176.462 176.300 0.088 0.000 1.260 93 D CA 1.568 55.606 54.000 0.064 0.000 0.711 93 D CB -0.964 39.868 40.800 0.053 0.000 0.915 93 D HN 0.486 nan 8.370 nan 0.000 0.391 94 T N -2.239 112.387 114.554 0.119 0.000 3.098 94 T HA 0.241 4.592 4.350 0.001 0.000 0.256 94 T C 0.600 175.483 174.700 0.306 0.000 0.921 94 T CA 0.453 62.665 62.100 0.186 0.000 0.916 94 T CB 0.308 69.290 68.868 0.189 0.000 1.246 94 T HN 0.083 nan 8.240 nan 0.000 0.511 95 V N 4.127 124.176 119.914 0.225 0.000 2.427 95 V HA 0.671 4.791 4.120 0.001 0.000 0.286 95 V C 0.546 176.714 176.094 0.123 0.000 1.034 95 V CA -0.692 61.728 62.300 0.200 0.000 0.893 95 V CB 1.411 33.188 31.823 -0.075 0.000 0.982 95 V HN 0.722 nan 8.190 nan 0.000 0.452 96 S N 2.900 118.689 115.700 0.147 0.000 2.617 96 S HA 0.146 4.616 4.470 0.001 0.000 0.269 96 S C 1.110 175.735 174.600 0.041 0.000 1.292 96 S CA -0.513 57.740 58.200 0.088 0.000 1.010 96 S CB 1.093 64.348 63.200 0.091 0.000 0.944 96 S HN 0.724 nan 8.310 nan 0.000 0.536 97 c N 1.339 119.957 118.600 0.030 0.000 2.446 97 c HA 0.054 4.624 4.570 0.001 0.000 0.277 97 c C 3.199 177.303 174.090 0.023 0.000 1.275 97 c CA 0.903 57.240 56.329 0.013 0.000 1.727 97 c CB -2.066 40.449 42.510 0.009 0.000 2.010 97 c HN 1.031 nan 8.230 nan 0.000 0.486 98 A N 1.377 124.219 122.820 0.037 0.000 1.869 98 A HA -0.304 4.016 4.320 0.001 0.000 0.218 98 A C 1.758 179.386 177.584 0.073 0.000 1.203 98 A CA 2.648 54.720 52.037 0.058 0.000 0.638 98 A CB -0.904 18.126 19.000 0.049 0.000 0.831 98 A HN 0.536 nan 8.150 nan 0.000 0.450 99 D N -0.286 120.147 120.400 0.055 0.000 2.123 99 D HA -0.124 4.516 4.640 0.001 0.000 0.196 99 D C 1.813 178.101 176.300 -0.019 0.000 0.992 99 D CA 1.151 55.177 54.000 0.043 0.000 0.833 99 D CB -0.394 40.448 40.800 0.070 0.000 0.954 99 D HN 0.546 nan 8.370 nan 0.000 0.455 100 I N 0.453 120.999 120.570 -0.041 0.000 2.194 100 I HA -0.273 3.898 4.170 0.001 0.000 0.246 100 I C 2.308 178.375 176.117 -0.083 0.000 1.093 100 I CA 0.777 62.024 61.300 -0.089 0.000 1.355 100 I CB -0.175 37.781 38.000 -0.073 0.000 1.046 100 I HN 0.049 nan 8.210 nan 0.000 0.413 101 L N 0.315 121.530 121.223 -0.014 0.000 2.093 101 L HA -0.182 4.158 4.340 0.001 0.000 0.208 101 L C 2.846 179.641 176.870 -0.125 0.000 1.085 101 L CA 1.276 56.128 54.840 0.020 0.000 0.755 101 L CB -0.744 41.416 42.059 0.169 0.000 0.904 101 L HN 0.241 nan 8.230 nan 0.000 0.435 102 A N 0.345 123.055 122.820 -0.183 0.000 1.969 102 A HA -0.135 4.185 4.320 0.001 0.000 0.218 102 A C 2.160 179.563 177.584 -0.301 0.000 1.169 102 A CA 1.305 53.029 52.037 -0.521 0.000 0.635 102 A CB -0.538 18.389 19.000 -0.121 0.000 0.810 102 A HN 0.396 nan 8.150 nan 0.000 0.445 103 I N -0.559 119.882 120.570 -0.215 0.000 2.439 103 I HA -0.161 4.009 4.170 0.001 0.000 0.251 103 I C 2.867 178.812 176.117 -0.288 0.000 1.139 103 I CA 0.821 61.952 61.300 -0.282 0.000 1.438 103 I CB -0.449 37.286 38.000 -0.440 0.000 1.085 103 I HN 0.329 nan 8.210 nan 0.000 0.427 104 A N 1.310 123.995 122.820 -0.226 0.000 1.877 104 A HA -0.127 4.193 4.320 0.001 0.000 0.216 104 A C 2.612 180.117 177.584 -0.131 0.000 1.186 104 A CA 1.809 53.743 52.037 -0.172 0.000 0.620 104 A CB -0.779 18.149 19.000 -0.121 0.000 0.822 104 A HN 0.402 nan 8.150 nan 0.000 0.443 105 A N -0.569 122.177 122.820 -0.123 0.000 1.908 105 A HA -0.214 4.106 4.320 0.001 0.000 0.218 105 A C 2.105 179.659 177.584 -0.051 0.000 1.181 105 A CA 1.925 53.948 52.037 -0.023 0.000 0.627 105 A CB -0.461 18.531 19.000 -0.014 0.000 0.818 105 A HN 0.553 nan 8.150 nan 0.000 0.445 106 E N 0.206 120.293 120.200 -0.188 0.000 2.047 106 E HA -0.132 4.218 4.350 0.001 0.000 0.191 106 E C 2.000 178.365 176.600 -0.392 0.000 0.987 106 E CA 1.208 57.293 56.400 -0.525 0.000 0.799 106 E CB -0.271 29.001 29.700 -0.713 0.000 0.752 106 E HN 0.663 nan 8.360 nan 0.000 0.449 107 I N 1.171 121.602 120.570 -0.230 0.000 2.208 107 I HA -0.296 3.875 4.170 0.001 0.000 0.245 107 I C 2.662 178.722 176.117 -0.096 0.000 1.097 107 I CA 1.073 62.309 61.300 -0.106 0.000 1.363 107 I CB -0.506 37.435 38.000 -0.098 0.000 1.051 107 I HN 0.079 nan 8.210 nan 0.000 0.413 108 A N 0.138 122.906 122.820 -0.085 0.000 1.892 108 A HA -0.299 4.021 4.320 0.001 0.000 0.218 108 A C 2.519 180.119 177.584 0.027 0.000 1.188 108 A CA 2.497 54.537 52.037 0.005 0.000 0.631 108 A CB -0.964 18.087 19.000 0.085 0.000 0.822 108 A HN 0.434 nan 8.150 nan 0.000 0.447 109 S N -0.727 114.903 115.700 -0.117 0.000 2.353 109 S HA -0.156 4.314 4.470 0.001 0.000 0.222 109 S C 1.933 176.376 174.600 -0.262 0.000 1.035 109 S CA 1.867 59.839 58.200 -0.379 0.000 1.025 109 S CB -0.658 62.204 63.200 -0.562 0.000 0.902 109 S HN 0.341 nan 8.310 nan 0.000 0.440 110 V N 1.643 121.433 119.914 -0.206 0.000 2.332 110 V HA -0.132 3.989 4.120 0.001 0.000 0.248 110 V C 2.399 178.510 176.094 0.028 0.000 1.055 110 V CA 1.653 63.900 62.300 -0.089 0.000 1.038 110 V CB -0.708 31.089 31.823 -0.042 0.000 0.651 110 V HN 0.430 nan 8.190 nan 0.000 0.450 111 L N 0.762 122.016 121.223 0.051 0.000 2.551 111 L HA 0.095 4.435 4.340 0.001 0.000 0.228 111 L C 1.875 178.821 176.870 0.127 0.000 1.153 111 L CA 1.730 56.626 54.840 0.092 0.000 0.851 111 L CB -0.744 41.324 42.059 0.015 0.000 0.959 111 L HN 0.339 nan 8.230 nan 0.000 0.451 112 G N -2.992 105.889 108.800 0.136 0.000 3.519 112 G HA2 0.423 4.383 3.960 0.001 0.000 0.269 112 G HA3 0.423 4.383 3.960 0.001 0.000 0.269 112 G C 1.092 176.118 174.900 0.210 0.000 1.028 112 G CA 0.379 45.612 45.100 0.221 0.000 0.809 112 G HN 0.436 nan 8.290 nan 0.000 0.521 113 G N -0.735 108.154 108.800 0.148 0.000 2.232 113 G HA2 -0.060 3.900 3.960 0.001 0.000 0.226 113 G HA3 -0.060 3.900 3.960 0.001 0.000 0.226 113 G C 0.978 175.982 174.900 0.173 0.000 0.996 113 G CA 0.197 45.402 45.100 0.175 0.000 0.626 113 G HN 1.098 nan 8.290 nan 0.000 0.509 114 G N 1.108 109.918 108.800 0.017 0.000 2.631 114 G HA2 0.539 4.500 3.960 0.001 0.000 0.271 114 G HA3 0.539 4.500 3.960 0.001 0.000 0.271 114 G C -1.416 173.215 174.900 -0.448 0.000 1.302 114 G CA 0.101 44.975 45.100 -0.376 0.000 1.002 114 G HN 0.447 nan 8.290 nan 0.000 0.519 115 P HA 0.382 nan 4.420 nan 0.000 0.278 115 P C -0.017 177.171 177.300 -0.187 0.000 1.266 115 P CA -0.088 62.828 63.100 -0.305 0.000 0.807 115 P CB 1.667 33.187 31.700 -0.301 0.000 1.094 116 G N -0.575 108.175 108.800 -0.084 0.000 2.685 116 G HA2 0.794 4.754 3.960 0.001 0.000 0.298 116 G HA3 0.794 4.754 3.960 0.001 0.000 0.298 116 G C -1.966 172.950 174.900 0.027 0.000 1.277 116 G CA -0.938 44.016 45.100 -0.244 0.000 0.986 116 G HN 0.729 nan 8.290 nan 0.000 0.487 117 W N -1.854 119.426 121.300 -0.033 0.000 3.319 117 W HA 0.595 5.256 4.660 0.001 0.000 0.300 117 W C -3.271 173.238 176.519 -0.017 0.000 1.244 117 W CA -2.272 55.054 57.345 -0.032 0.000 1.193 117 W CB -0.006 29.428 29.460 -0.043 0.000 1.359 117 W HN 0.485 nan 8.180 nan 0.000 0.568 118 P HA 0.216 nan 4.420 nan 0.000 0.276 118 P C -0.417 177.023 177.300 0.235 0.000 1.264 118 P CA -0.079 63.078 63.100 0.095 0.000 0.769 118 P CB 0.764 32.498 31.700 0.056 0.000 0.840 119 V N 7.304 127.338 119.914 0.200 0.000 2.427 119 V HA 0.174 4.295 4.120 0.001 0.000 0.268 119 V C -1.661 174.562 176.094 0.215 0.000 1.046 119 V CA -1.552 60.919 62.300 0.284 0.000 0.970 119 V CB 0.436 32.440 31.823 0.301 0.000 1.001 119 V HN 0.530 nan 8.190 nan 0.000 0.476 120 P HA 0.345 nan 4.420 nan 0.000 0.276 120 P C -0.800 176.580 177.300 0.133 0.000 1.235 120 P CA 0.000 63.180 63.100 0.134 0.000 0.772 120 P CB 1.246 33.002 31.700 0.093 0.000 0.871 121 L N 1.397 122.705 121.223 0.141 0.000 2.235 121 L HA 0.762 5.102 4.340 0.001 0.000 0.260 121 L C 1.225 177.985 176.870 -0.184 0.000 1.025 121 L CA -0.603 54.311 54.840 0.123 0.000 0.836 121 L CB 1.749 44.041 42.059 0.389 0.000 1.395 121 L HN 0.623 nan 8.230 nan 0.000 0.443 122 G N 0.081 108.637 108.800 -0.406 0.000 2.173 122 G HA2 -0.129 3.831 3.960 0.001 0.000 0.142 122 G HA3 -0.129 3.831 3.960 0.001 0.000 0.142 122 G C 0.011 174.566 174.900 -0.575 0.000 1.019 122 G CA -0.654 43.709 45.100 -1.228 0.000 0.699 122 G HN 0.460 nan 8.290 nan 0.000 0.495 123 R N 0.048 120.413 120.500 -0.226 0.000 2.637 123 R HA 0.734 5.074 4.340 0.001 0.000 0.269 123 R C 0.392 176.658 176.300 -0.057 0.000 1.089 123 R CA -0.126 55.912 56.100 -0.104 0.000 1.177 123 R CB 0.567 30.853 30.300 -0.023 0.000 1.091 123 R HN 0.278 nan 8.270 nan 0.000 0.540 124 R N 0.554 121.040 120.500 -0.024 0.000 2.750 124 R HA 0.269 4.609 4.340 0.001 0.000 0.281 124 R C -1.021 175.289 176.300 0.016 0.000 0.972 124 R CA -1.072 55.033 56.100 0.008 0.000 0.912 124 R CB 1.410 31.716 30.300 0.010 0.000 1.187 124 R HN 0.528 nan 8.270 nan 0.000 0.464 125 D N 1.184 121.600 120.400 0.027 0.000 2.368 125 D HA 0.032 4.672 4.640 0.001 0.000 0.240 125 D C 0.611 176.921 176.300 0.018 0.000 1.169 125 D CA 0.333 54.347 54.000 0.023 0.000 0.906 125 D CB 0.923 41.740 40.800 0.029 0.000 1.187 125 D HN 0.524 nan 8.370 nan 0.000 0.435 126 S N -0.048 115.660 115.700 0.012 0.000 2.666 126 S HA 0.486 4.956 4.470 0.001 0.000 0.279 126 S C 0.642 175.251 174.600 0.014 0.000 1.149 126 S CA -0.659 57.547 58.200 0.010 0.000 1.020 126 S CB 0.771 63.973 63.200 0.003 0.000 1.127 126 S HN 0.433 nan 8.310 nan 0.000 0.537 127 L N 0.180 121.411 121.223 0.013 0.000 3.217 127 L HA 0.313 4.653 4.340 0.001 0.000 0.288 127 L C 0.502 177.381 176.870 0.016 0.000 1.202 127 L CA -0.113 54.738 54.840 0.018 0.000 1.027 127 L CB 0.491 42.561 42.059 0.019 0.000 1.427 127 L HN 0.982 nan 8.230 nan 0.000 0.600 128 T N -2.623 111.937 114.554 0.009 0.000 2.804 128 T HA 0.902 5.253 4.350 0.001 0.000 0.290 128 T C -0.730 173.969 174.700 -0.001 0.000 1.099 128 T CA -0.362 61.742 62.100 0.006 0.000 1.011 128 T CB 2.846 71.716 68.868 0.003 0.000 1.291 128 T HN -0.001 nan 8.240 nan 0.000 0.523 129 A N 0.548 123.367 122.820 -0.003 0.000 2.594 129 A HA 0.821 5.141 4.320 0.001 0.000 0.291 129 A C -1.445 176.134 177.584 -0.009 0.000 1.105 129 A CA -0.839 51.193 52.037 -0.009 0.000 0.694 129 A CB 1.654 20.647 19.000 -0.012 0.000 1.291 129 A HN 0.817 nan 8.150 nan 0.000 0.410 130 N N 0.262 118.954 118.700 -0.013 0.000 2.607 130 N HA 0.170 4.911 4.740 0.001 0.000 0.271 130 N C 0.500 176.002 175.510 -0.014 0.000 1.142 130 N CA -0.372 52.671 53.050 -0.012 0.000 0.810 130 N CB 1.397 39.876 38.487 -0.014 0.000 1.306 130 N HN 0.797 nan 8.380 nan 0.000 0.536 131 R N 1.462 121.956 120.500 -0.009 0.000 2.070 131 R HA -0.066 4.274 4.340 0.001 0.000 0.233 131 R C 0.897 177.193 176.300 -0.007 0.000 1.137 131 R CA 2.104 58.198 56.100 -0.009 0.000 0.945 131 R CB -0.114 30.184 30.300 -0.003 0.000 0.845 131 R HN 0.364 nan 8.270 nan 0.000 0.430 132 T N 2.059 116.612 114.554 -0.001 0.000 2.720 132 T HA -0.170 4.180 4.350 0.001 0.000 0.268 132 T C 1.686 176.387 174.700 0.002 0.000 1.037 132 T CA 1.325 63.428 62.100 0.004 0.000 1.144 132 T CB -0.283 68.590 68.868 0.007 0.000 0.864 132 T HN 0.131 nan 8.240 nan 0.000 0.444 133 L N 1.522 122.742 121.223 -0.005 0.000 2.042 133 L HA -0.045 4.295 4.340 0.001 0.000 0.210 133 L C 2.652 179.512 176.870 -0.016 0.000 1.076 133 L CA 1.954 56.788 54.840 -0.010 0.000 0.749 133 L CB -1.276 40.773 42.059 -0.017 0.000 0.893 133 L HN 0.255 nan 8.230 nan 0.000 0.432 134 A N -0.339 122.464 122.820 -0.028 0.000 1.884 134 A HA -0.295 4.026 4.320 0.001 0.000 0.219 134 A C 2.085 179.642 177.584 -0.046 0.000 1.197 134 A CA 2.191 54.195 52.037 -0.054 0.000 0.637 134 A CB -0.908 18.058 19.000 -0.057 0.000 0.827 134 A HN 0.636 nan 8.150 nan 0.000 0.450 135 N N 0.265 118.955 118.700 -0.016 0.000 2.223 135 N HA -0.169 4.571 4.740 0.001 0.000 0.185 135 N C 1.684 177.216 175.510 0.037 0.000 1.016 135 N CA 1.663 54.718 53.050 0.008 0.000 0.863 135 N CB -0.431 38.072 38.487 0.027 0.000 0.983 135 N HN 0.882 nan 8.380 nan 0.000 0.429 136 Q N -0.986 118.837 119.800 0.037 0.000 2.280 136 Q HA 0.227 4.567 4.340 0.001 0.000 0.201 136 Q C 0.259 176.301 176.000 0.070 0.000 0.890 136 Q CA 0.344 56.185 55.803 0.065 0.000 0.947 136 Q CB 0.226 28.993 28.738 0.049 0.000 1.081 136 Q HN 0.134 nan 8.270 nan 0.000 0.502 137 N N 0.053 118.782 118.700 0.048 0.000 2.382 137 N HA 0.231 4.971 4.740 0.001 0.000 0.200 137 N C -0.549 175.049 175.510 0.147 0.000 1.122 137 N CA 0.036 53.128 53.050 0.070 0.000 0.870 137 N CB 0.835 39.331 38.487 0.015 0.000 1.176 137 N HN 0.085 nan 8.380 nan 0.000 0.474 138 L N 3.293 124.531 121.223 0.025 0.000 2.281 138 L HA 0.369 4.710 4.340 0.001 0.000 0.285 138 L C -1.932 174.914 176.870 -0.041 0.000 1.074 138 L CA -1.642 53.158 54.840 -0.067 0.000 0.817 138 L CB 0.764 42.609 42.059 -0.356 0.000 1.168 138 L HN 0.029 nan 8.230 nan 0.000 0.434 139 P HA 0.120 nan 4.420 nan 0.000 0.269 139 P C -0.891 176.066 177.300 -0.573 0.000 1.209 139 P CA -0.334 62.666 63.100 -0.167 0.000 0.776 139 P CB 1.238 33.045 31.700 0.178 0.000 0.876 140 A N 4.579 126.502 122.820 -1.495 0.000 2.306 140 A HA 0.529 4.849 4.320 0.001 0.000 0.330 140 A C -1.364 175.629 177.584 -0.984 0.000 1.146 140 A CA -1.639 49.642 52.037 -1.261 0.000 0.827 140 A CB 0.400 18.348 19.000 -1.755 0.000 1.178 140 A HN 0.399 nan 8.150 nan 0.000 0.490 141 P HA -0.108 nan 4.420 nan 0.000 0.225 141 P C 0.603 177.914 177.300 0.019 0.000 1.148 141 P CA 1.127 64.157 63.100 -0.116 0.000 0.779 141 P CB -0.138 31.598 31.700 0.060 0.000 0.780 142 F N -2.883 117.148 119.950 0.135 0.000 2.664 142 F HA 0.383 4.910 4.527 0.001 0.000 0.301 142 F C 0.635 176.675 175.800 0.399 0.000 1.126 142 F CA -1.650 56.494 58.000 0.240 0.000 1.373 142 F CB -1.502 37.613 39.000 0.192 0.000 1.042 142 F HN -0.305 nan 8.300 nan 0.000 0.535 143 F N 2.625 122.562 119.950 -0.021 0.000 2.418 143 F HA 0.191 4.718 4.527 0.000 0.000 0.341 143 F C 0.892 176.754 175.800 0.104 0.000 1.120 143 F CA -1.293 56.731 58.000 0.041 0.000 1.232 143 F CB 0.718 39.704 39.000 -0.024 0.000 1.175 143 F HN 0.102 nan 8.300 nan 0.000 0.569 144 N N 1.853 120.690 118.700 0.228 0.000 2.447 144 N HA 0.146 4.886 4.740 0.001 0.000 0.271 144 N C 0.562 176.150 175.510 0.130 0.000 1.226 144 N CA -0.684 52.462 53.050 0.161 0.000 0.980 144 N CB 0.545 39.094 38.487 0.103 0.000 1.206 144 N HN 0.693 nan 8.380 nan 0.000 0.558 145 L N -0.693 120.590 121.223 0.101 0.000 1.990 145 L HA -0.244 4.097 4.340 0.001 0.000 0.213 145 L C 1.604 178.508 176.870 0.058 0.000 1.072 145 L CA 2.008 56.894 54.840 0.076 0.000 0.755 145 L CB -0.736 41.358 42.059 0.058 0.000 0.889 145 L HN 0.728 nan 8.230 nan 0.000 0.432 146 T N -0.778 113.800 114.554 0.039 0.000 2.665 146 T HA -0.307 4.043 4.350 0.001 0.000 0.268 146 T C 1.738 176.446 174.700 0.015 0.000 1.035 146 T CA 1.836 63.949 62.100 0.021 0.000 1.151 146 T CB -0.335 68.537 68.868 0.006 0.000 0.862 146 T HN 0.466 nan 8.240 nan 0.000 0.438 147 Q N 0.445 120.235 119.800 -0.017 0.000 2.084 147 Q HA -0.006 4.334 4.340 0.001 0.000 0.202 147 Q C 2.509 178.562 176.000 0.089 0.000 0.978 147 Q CA 1.129 56.878 55.803 -0.089 0.000 0.844 147 Q CB -0.475 28.036 28.738 -0.378 0.000 0.898 147 Q HN 0.480 nan 8.270 nan 0.000 0.426 148 L N 0.756 122.087 121.223 0.179 0.000 1.989 148 L HA -0.240 4.100 4.340 0.001 0.000 0.211 148 L C 2.415 179.386 176.870 0.169 0.000 1.071 148 L CA 1.418 56.398 54.840 0.232 0.000 0.749 148 L CB -0.513 41.624 42.059 0.130 0.000 0.890 148 L HN 0.180 nan 8.230 nan 0.000 0.431 149 K N 0.026 120.479 120.400 0.088 0.000 2.074 149 K HA -0.227 4.093 4.320 0.001 0.000 0.209 149 K C 2.186 178.879 176.600 0.154 0.000 1.048 149 K CA 1.621 57.961 56.287 0.088 0.000 0.926 149 K CB -0.326 32.206 32.500 0.054 0.000 0.713 149 K HN 0.336 nan 8.250 nan 0.000 0.444 150 A N 0.753 123.649 122.820 0.127 0.000 1.902 150 A HA -0.177 4.143 4.320 0.001 0.000 0.217 150 A C 2.212 179.894 177.584 0.164 0.000 1.181 150 A CA 1.995 54.099 52.037 0.111 0.000 0.623 150 A CB -0.624 18.410 19.000 0.057 0.000 0.818 150 A HN 0.293 nan 8.150 nan 0.000 0.443 151 S N -1.509 114.345 115.700 0.257 0.000 2.382 151 S HA -0.119 4.352 4.470 0.001 0.000 0.228 151 S C 1.669 176.475 174.600 0.344 0.000 1.027 151 S CA 1.425 59.821 58.200 0.327 0.000 0.991 151 S CB -0.499 63.001 63.200 0.500 0.000 0.823 151 S HN 0.434 nan 8.310 nan 0.000 0.469 152 F N 1.851 121.903 119.950 0.170 0.000 2.259 152 F HA 0.234 4.761 4.527 0.000 0.000 0.298 152 F C 2.497 178.308 175.800 0.019 0.000 1.088 152 F CA 0.348 58.435 58.000 0.145 0.000 1.358 152 F CB -1.003 38.115 39.000 0.196 0.000 1.040 152 F HN 0.274 nan 8.300 nan 0.000 0.505 153 A N -0.235 122.699 122.820 0.189 0.000 1.902 153 A HA -0.132 4.188 4.320 0.001 0.000 0.217 153 A C 2.376 179.955 177.584 -0.008 0.000 1.181 153 A CA 1.762 53.847 52.037 0.080 0.000 0.623 153 A CB -1.228 17.816 19.000 0.074 0.000 0.818 153 A HN 0.146 nan 8.150 nan 0.000 0.443 154 V N 0.314 120.211 119.914 -0.030 0.000 2.453 154 V HA -0.277 3.843 4.120 0.001 0.000 0.252 154 V C 2.399 178.386 176.094 -0.179 0.000 1.068 154 V CA 2.080 64.327 62.300 -0.089 0.000 1.070 154 V CB -0.704 31.067 31.823 -0.087 0.000 0.664 154 V HN 0.593 nan 8.190 nan 0.000 0.461 155 Q N -0.433 119.189 119.800 -0.297 0.000 2.425 155 Q HA 0.188 4.528 4.340 0.001 0.000 0.204 155 Q C 1.722 177.590 176.000 -0.220 0.000 0.933 155 Q CA 0.898 56.456 55.803 -0.410 0.000 0.939 155 Q CB 0.310 28.527 28.738 -0.868 0.000 1.044 155 Q HN 0.793 nan 8.270 nan 0.000 0.513 156 G N 0.919 109.647 108.800 -0.119 0.000 2.142 156 G HA2 -0.219 3.741 3.960 0.001 0.000 0.225 156 G HA3 -0.219 3.741 3.960 0.001 0.000 0.225 156 G C -0.270 174.624 174.900 -0.011 0.000 1.015 156 G CA -0.087 44.981 45.100 -0.053 0.000 0.716 156 G HN 0.227 nan 8.290 nan 0.000 0.508 157 L N 0.335 121.576 121.223 0.030 0.000 2.346 157 L HA 0.556 4.896 4.340 0.001 0.000 0.274 157 L C 0.540 177.529 176.870 0.200 0.000 1.007 157 L CA -1.202 53.718 54.840 0.132 0.000 0.818 157 L CB 1.704 43.884 42.059 0.201 0.000 1.284 157 L HN 0.393 nan 8.230 nan 0.000 0.424 158 N N -0.576 118.228 118.700 0.173 0.000 2.495 158 N HA 0.259 5.000 4.740 0.001 0.000 0.294 158 N C 0.595 176.188 175.510 0.139 0.000 1.276 158 N CA -0.591 52.540 53.050 0.136 0.000 0.973 158 N CB 0.178 38.716 38.487 0.085 0.000 1.143 158 N HN 0.427 nan 8.380 nan 0.000 0.589 159 T N -0.344 114.259 114.554 0.080 0.000 2.684 159 T HA -0.136 4.215 4.350 0.001 0.000 0.267 159 T C 1.581 176.309 174.700 0.048 0.000 1.036 159 T CA 1.262 63.388 62.100 0.044 0.000 1.148 159 T CB -0.406 68.477 68.868 0.026 0.000 0.863 159 T HN 0.421 nan 8.240 nan 0.000 0.436 160 L N 1.855 123.113 121.223 0.059 0.000 2.012 160 L HA -0.119 4.221 4.340 0.001 0.000 0.210 160 L C 1.876 178.831 176.870 0.142 0.000 1.073 160 L CA 1.931 56.815 54.840 0.074 0.000 0.748 160 L CB -0.958 41.140 42.059 0.066 0.000 0.891 160 L HN 0.093 nan 8.230 nan 0.000 0.431 161 D N -0.507 119.988 120.400 0.158 0.000 2.133 161 D HA -0.237 4.403 4.640 0.001 0.000 0.195 161 D C 2.192 178.649 176.300 0.262 0.000 0.997 161 D CA 1.783 55.916 54.000 0.223 0.000 0.840 161 D CB -0.371 40.584 40.800 0.258 0.000 0.947 161 D HN 0.377 nan 8.370 nan 0.000 0.452 162 L N 0.507 121.802 121.223 0.120 0.000 1.970 162 L HA -0.130 4.211 4.340 0.001 0.000 0.212 162 L C 2.322 179.143 176.870 -0.081 0.000 1.071 162 L CA 1.486 56.150 54.840 -0.294 0.000 0.751 162 L CB -0.806 40.939 42.059 -0.522 0.000 0.889 162 L HN -0.027 nan 8.230 nan 0.000 0.432 163 V N -0.914 119.032 119.914 0.054 0.000 2.594 163 V HA -0.260 3.861 4.120 0.001 0.000 0.253 163 V C 2.305 178.641 176.094 0.403 0.000 1.069 163 V CA 2.407 64.826 62.300 0.199 0.000 1.082 163 V CB -0.443 31.483 31.823 0.173 0.000 0.680 163 V HN 0.734 nan 8.190 nan 0.000 0.469 164 T N 0.533 115.340 114.554 0.422 0.000 2.812 164 T HA -0.018 4.332 4.350 0.001 0.000 0.264 164 T C 1.680 176.694 174.700 0.523 0.000 1.042 164 T CA 1.666 64.124 62.100 0.596 0.000 1.140 164 T CB -0.204 68.957 68.868 0.488 0.000 0.870 164 T HN 0.440 nan 8.240 nan 0.000 0.445 165 L N 0.993 122.409 121.223 0.321 0.000 2.478 165 L HA 0.069 4.409 4.340 0.001 0.000 0.223 165 L C 2.460 179.346 176.870 0.027 0.000 1.140 165 L CA 0.427 55.408 54.840 0.234 0.000 0.842 165 L CB -0.375 41.764 42.059 0.134 0.000 0.953 165 L HN 0.179 nan 8.230 nan 0.000 0.452 166 S N 0.283 115.943 115.700 -0.066 0.000 2.474 166 S HA -0.063 4.407 4.470 0.001 0.000 0.235 166 S C 2.070 176.162 174.600 -0.847 0.000 0.997 166 S CA 0.917 58.886 58.200 -0.385 0.000 0.949 166 S CB -0.231 62.879 63.200 -0.149 0.000 0.766 166 S HN 0.609 nan 8.310 nan 0.000 0.517 167 G N 1.488 109.967 108.800 -0.535 0.000 2.470 167 G HA2 -0.044 3.917 3.960 0.001 0.000 0.220 167 G HA3 -0.044 3.917 3.960 0.001 0.000 0.220 167 G C 1.371 175.860 174.900 -0.685 0.000 1.121 167 G CA 0.673 45.262 45.100 -0.852 0.000 0.766 167 G HN 0.552 nan 8.290 nan 0.000 0.553 168 G N -0.205 108.423 108.800 -0.286 0.000 2.499 168 G HA2 -0.221 3.740 3.960 0.001 0.000 0.221 168 G HA3 -0.221 3.740 3.960 0.001 0.000 0.221 168 G C 1.270 176.164 174.900 -0.010 0.000 1.109 168 G CA 0.668 45.745 45.100 -0.039 0.000 0.749 168 G HN 0.673 nan 8.290 nan 0.000 0.568 169 H N -0.597 118.303 119.070 -0.282 0.000 2.556 169 H HA 0.081 4.637 4.556 0.001 0.000 0.273 169 H C 2.212 177.503 175.328 -0.062 0.000 1.030 169 H CA 0.347 56.343 56.048 -0.088 0.000 1.156 169 H CB 0.367 30.127 29.762 -0.004 0.000 1.326 169 H HN 0.298 nan 8.280 nan 0.000 0.609 170 T N 0.460 114.884 114.554 -0.217 0.000 3.163 170 T HA -0.001 4.349 4.350 0.001 0.000 0.260 170 T C 0.198 174.902 174.700 0.008 0.000 1.156 170 T CA 0.202 62.163 62.100 -0.231 0.000 1.072 170 T CB -0.189 68.293 68.868 -0.644 0.000 0.937 170 T HN 0.443 nan 8.240 nan 0.000 0.528 171 F N -2.647 117.297 119.950 -0.010 0.000 2.741 171 F HA 0.596 5.124 4.527 0.001 0.000 0.313 171 F C -0.033 175.806 175.800 0.065 0.000 1.153 171 F CA -0.787 57.237 58.000 0.040 0.000 0.931 171 F CB 0.844 39.889 39.000 0.075 0.000 1.335 171 F HN 0.175 nan 8.300 nan 0.000 0.460 172 G N 1.888 110.733 108.800 0.076 0.000 2.592 172 G HA2 0.240 4.200 3.960 0.001 0.000 0.684 172 G HA3 0.240 4.200 3.960 0.001 0.000 0.684 172 G C -2.028 172.880 174.900 0.013 0.000 1.291 172 G CA -1.113 43.958 45.100 -0.049 0.000 0.891 172 G HN 0.881 nan 8.290 nan 0.000 0.544 173 R N -0.627 119.870 120.500 -0.005 0.000 2.923 173 R HA 0.986 5.327 4.340 0.001 0.000 0.252 173 R C 0.196 176.513 176.300 0.028 0.000 1.130 173 R CA 0.126 56.237 56.100 0.019 0.000 1.043 173 R CB 1.650 31.956 30.300 0.010 0.000 1.205 173 R HN 2.069 nan 8.270 nan 0.000 0.495 174 A N 0.738 123.600 122.820 0.071 0.000 2.532 174 A HA 0.533 4.853 4.320 0.001 0.000 0.296 174 A C -1.152 176.505 177.584 0.123 0.000 1.058 174 A CA -0.853 51.245 52.037 0.101 0.000 0.729 174 A CB 1.088 20.176 19.000 0.147 0.000 1.285 174 A HN 0.579 nan 8.150 nan 0.000 0.396 175 R N 0.980 121.495 120.500 0.025 0.000 2.539 175 R HA 0.311 4.651 4.340 0.001 0.000 0.275 175 R C 0.899 177.022 176.300 -0.295 0.000 1.077 175 R CA -0.236 55.825 56.100 -0.065 0.000 1.097 175 R CB 0.457 30.719 30.300 -0.064 0.000 1.018 175 R HN 0.789 nan 8.270 nan 0.000 0.483 176 c N 0.966 119.343 118.600 -0.373 0.000 2.363 176 c HA -0.242 4.328 4.570 0.001 0.000 0.274 176 c C 2.844 176.455 174.090 -0.798 0.000 1.183 176 c CA 1.931 57.812 56.329 -0.747 0.000 1.771 176 c CB -1.082 41.244 42.510 -0.307 0.000 2.059 176 c HN 1.037 nan 8.230 nan 0.000 0.455 177 S N 1.027 116.501 115.700 -0.376 0.000 2.420 177 S HA -0.235 4.236 4.470 0.001 0.000 0.237 177 S C 1.534 176.022 174.600 -0.187 0.000 1.023 177 S CA 2.173 60.238 58.200 -0.225 0.000 0.991 177 S CB -1.287 61.845 63.200 -0.113 0.000 0.792 177 S HN 0.844 nan 8.310 nan 0.000 0.488 178 T N -0.878 113.542 114.554 -0.223 0.000 3.051 178 T HA 0.047 4.397 4.350 0.001 0.000 0.269 178 T C 1.099 175.859 174.700 0.099 0.000 1.127 178 T CA 0.882 62.967 62.100 -0.025 0.000 1.107 178 T CB -0.703 68.194 68.868 0.049 0.000 0.898 178 T HN 0.773 nan 8.240 nan 0.000 0.517 179 F N -2.000 118.002 119.950 0.087 0.000 2.975 179 F HA 0.538 5.065 4.527 0.000 0.000 0.366 179 F C 1.244 177.103 175.800 0.098 0.000 1.071 179 F CA -1.682 56.375 58.000 0.094 0.000 1.102 179 F CB -0.471 38.558 39.000 0.048 0.000 1.176 179 F HN 0.054 nan 8.300 nan 0.000 0.545 180 I N 2.993 123.559 120.570 -0.006 0.000 2.399 180 I HA -0.361 3.809 4.170 0.001 0.000 0.254 180 I C 2.416 178.678 176.117 0.241 0.000 1.146 180 I CA 2.185 63.564 61.300 0.132 0.000 1.412 180 I CB -0.278 37.718 38.000 -0.008 0.000 1.076 180 I HN 0.478 nan 8.210 nan 0.000 0.432 181 N N 2.449 121.281 118.700 0.219 0.000 2.348 181 N HA -0.269 4.471 4.740 0.001 0.000 0.185 181 N C 1.444 177.180 175.510 0.376 0.000 1.019 181 N CA 1.577 54.780 53.050 0.256 0.000 0.880 181 N CB -0.513 38.101 38.487 0.212 0.000 0.965 181 N HN 0.586 nan 8.380 nan 0.000 0.437 182 R N -0.954 119.751 120.500 0.342 0.000 2.427 182 R HA 0.246 4.586 4.340 0.001 0.000 0.262 182 R C 0.783 177.108 176.300 0.043 0.000 0.943 182 R CA -0.315 55.905 56.100 0.200 0.000 1.081 182 R CB 0.068 30.347 30.300 -0.035 0.000 1.166 182 R HN 0.045 nan 8.270 nan 0.000 0.534 183 L N -0.693 120.581 121.223 0.086 0.000 2.357 183 L HA 0.243 4.583 4.340 0.001 0.000 0.211 183 L C 0.755 177.348 176.870 -0.461 0.000 1.075 183 L CA 1.316 56.051 54.840 -0.176 0.000 0.830 183 L CB 0.081 42.081 42.059 -0.100 0.000 0.996 183 L HN 0.088 nan 8.230 nan 0.000 0.467 184 Y N -3.295 117.051 120.300 0.077 0.000 2.912 184 Y HA 0.333 4.883 4.550 0.001 0.000 0.250 184 Y C 0.820 176.770 175.900 0.082 0.000 1.073 184 Y CA -0.723 57.414 58.100 0.063 0.000 1.275 184 Y CB 0.244 38.730 38.460 0.044 0.000 1.470 184 Y HN -0.070 nan 8.280 nan 0.000 0.447 185 N N 0.564 119.429 118.700 0.274 0.000 2.716 185 N HA 0.146 4.886 4.740 0.001 0.000 0.253 185 N C -1.891 173.745 175.510 0.211 0.000 1.170 185 N CA -0.378 52.788 53.050 0.194 0.000 0.807 185 N CB 0.041 38.606 38.487 0.129 0.000 1.183 185 N HN 0.029 nan 8.380 nan 0.000 0.524 186 F N 2.381 122.369 119.950 0.063 0.000 2.410 186 F HA 0.291 4.818 4.527 0.000 0.000 0.348 186 F C 1.217 177.044 175.800 0.045 0.000 1.106 186 F CA 0.120 58.154 58.000 0.057 0.000 1.163 186 F CB 0.783 39.815 39.000 0.054 0.000 1.129 186 F HN 0.503 nan 8.300 nan 0.000 0.516 187 S N 3.653 119.074 115.700 -0.465 0.000 3.473 187 S HA -0.353 4.117 4.470 0.001 0.000 0.339 187 S C 0.752 175.288 174.600 -0.107 0.000 1.148 187 S CA 1.198 59.214 58.200 -0.307 0.000 0.969 187 S CB -1.809 61.238 63.200 -0.255 0.000 0.936 187 S HN 0.995 nan 8.310 nan 0.000 0.530 188 N N -1.261 117.404 118.700 -0.060 0.000 2.800 188 N HA -0.213 4.527 4.740 0.001 0.000 0.250 188 N C 0.828 176.347 175.510 0.015 0.000 1.078 188 N CA 2.262 55.302 53.050 -0.017 0.000 0.804 188 N CB -1.754 36.714 38.487 -0.031 0.000 1.135 188 N HN 0.869 nan 8.380 nan 0.000 0.565 189 T N -4.503 110.076 114.554 0.041 0.000 3.067 189 T HA 0.315 4.665 4.350 0.001 0.000 0.261 189 T C 1.768 176.508 174.700 0.067 0.000 1.110 189 T CA 1.314 63.450 62.100 0.060 0.000 1.113 189 T CB -0.060 68.864 68.868 0.094 0.000 0.917 189 T HN 1.062 nan 8.240 nan 0.000 0.499 190 G N 1.475 110.322 108.800 0.079 0.000 2.179 190 G HA2 -0.231 3.730 3.960 0.001 0.000 0.260 190 G HA3 -0.231 3.730 3.960 0.001 0.000 0.260 190 G C -0.075 174.882 174.900 0.094 0.000 0.977 190 G CA 0.089 45.238 45.100 0.081 0.000 0.641 190 G HN 0.672 nan 8.290 nan 0.000 0.533 191 N N 0.744 119.506 118.700 0.104 0.000 2.292 191 N HA 0.543 5.284 4.740 0.001 0.000 0.303 191 N C -3.038 172.534 175.510 0.103 0.000 1.140 191 N CA -1.470 51.631 53.050 0.086 0.000 0.788 191 N CB 2.014 40.539 38.487 0.063 0.000 1.361 191 N HN -0.046 nan 8.380 nan 0.000 0.489 192 P HA -0.048 nan 4.420 nan 0.000 0.268 192 P C -0.319 176.934 177.300 -0.079 0.000 1.208 192 P CA 0.071 63.155 63.100 -0.026 0.000 0.777 192 P CB 0.431 32.074 31.700 -0.095 0.000 0.875 193 D N 3.234 123.465 120.400 -0.281 0.000 2.472 193 D HA -0.026 4.614 4.640 0.001 0.000 0.248 193 D C -1.159 174.966 176.300 -0.291 0.000 1.174 193 D CA -1.623 52.002 54.000 -0.625 0.000 0.883 193 D CB 0.188 40.334 40.800 -1.090 0.000 1.149 193 D HN 0.232 nan 8.370 nan 0.000 0.488 194 P HA -0.095 nan 4.420 nan 0.000 0.236 194 P C 0.547 177.795 177.300 -0.087 0.000 1.172 194 P CA 0.805 63.852 63.100 -0.088 0.000 0.759 194 P CB -0.100 31.581 31.700 -0.033 0.000 0.843 195 T N -3.645 110.832 114.554 -0.128 0.000 3.134 195 T HA 0.297 4.647 4.350 0.001 0.000 0.260 195 T C 0.231 174.888 174.700 -0.071 0.000 1.027 195 T CA -0.519 61.533 62.100 -0.079 0.000 0.913 195 T CB -0.393 68.436 68.868 -0.064 0.000 1.046 195 T HN -0.081 nan 8.240 nan 0.000 0.553 196 L N 2.388 123.555 121.223 -0.093 0.000 2.296 196 L HA 0.527 4.868 4.340 0.001 0.000 0.286 196 L C -0.213 176.641 176.870 -0.028 0.000 1.023 196 L CA -0.909 53.894 54.840 -0.061 0.000 0.812 196 L CB 1.198 43.194 42.059 -0.106 0.000 1.223 196 L HN 0.092 nan 8.230 nan 0.000 0.421 197 N N 2.816 121.525 118.700 0.015 0.000 2.292 197 N HA -0.107 4.633 4.740 0.001 0.000 0.258 197 N C 0.472 175.996 175.510 0.023 0.000 1.261 197 N CA 0.980 54.043 53.050 0.022 0.000 0.845 197 N CB 1.005 39.511 38.487 0.032 0.000 1.064 197 N HN 0.848 nan 8.380 nan 0.000 0.471 198 T N 2.532 117.086 114.554 -0.000 0.000 2.867 198 T HA -0.092 4.258 4.350 0.001 0.000 0.268 198 T C 1.631 176.332 174.700 0.002 0.000 1.057 198 T CA 1.633 63.726 62.100 -0.012 0.000 1.136 198 T CB -0.101 68.757 68.868 -0.017 0.000 0.874 198 T HN 0.585 nan 8.240 nan 0.000 0.466 199 T N 1.073 115.641 114.554 0.023 0.000 2.737 199 T HA -0.081 4.269 4.350 0.001 0.000 0.265 199 T C 1.640 176.390 174.700 0.085 0.000 1.038 199 T CA 0.905 63.026 62.100 0.035 0.000 1.144 199 T CB -0.480 68.402 68.868 0.024 0.000 0.866 199 T HN 0.323 nan 8.240 nan 0.000 0.434 200 Y N 1.985 122.244 120.300 -0.068 0.000 2.224 200 Y HA -0.026 4.525 4.550 0.000 0.000 0.289 200 Y C 2.101 177.950 175.900 -0.084 0.000 1.146 200 Y CA 0.168 58.219 58.100 -0.081 0.000 1.182 200 Y CB -0.835 37.563 38.460 -0.104 0.000 0.983 200 Y HN 0.111 nan 8.280 nan 0.000 0.524 201 L N 0.425 121.622 121.223 -0.042 0.000 2.263 201 L HA -0.181 4.160 4.340 0.001 0.000 0.216 201 L C 1.857 178.644 176.870 -0.137 0.000 1.111 201 L CA 1.873 56.627 54.840 -0.143 0.000 0.773 201 L CB -0.555 41.438 42.059 -0.110 0.000 0.906 201 L HN 0.128 nan 8.230 nan 0.000 0.439 202 E N -0.588 119.568 120.200 -0.073 0.000 2.045 202 E HA -0.029 4.321 4.350 0.001 0.000 0.190 202 E C 2.293 178.868 176.600 -0.043 0.000 0.968 202 E CA 1.439 57.808 56.400 -0.051 0.000 0.813 202 E CB -0.787 28.902 29.700 -0.018 0.000 0.780 202 E HN 0.377 nan 8.360 nan 0.000 0.455 203 V N 2.254 122.156 119.914 -0.021 0.000 2.317 203 V HA -0.276 3.845 4.120 0.001 0.000 0.251 203 V C 2.603 178.664 176.094 -0.055 0.000 1.065 203 V CA 1.631 63.928 62.300 -0.005 0.000 1.049 203 V CB -0.825 31.037 31.823 0.064 0.000 0.651 203 V HN 0.152 nan 8.190 nan 0.000 0.450 204 L N -0.730 120.392 121.223 -0.168 0.000 2.056 204 L HA -0.127 4.213 4.340 0.001 0.000 0.207 204 L C 2.800 179.656 176.870 -0.022 0.000 1.078 204 L CA 1.567 56.305 54.840 -0.170 0.000 0.749 204 L CB -0.544 41.290 42.059 -0.374 0.000 0.901 204 L HN 0.184 nan 8.230 nan 0.000 0.433 205 R N -0.222 120.251 120.500 -0.045 0.000 2.193 205 R HA -0.115 4.225 4.340 0.001 0.000 0.229 205 R C 2.344 178.697 176.300 0.089 0.000 1.110 205 R CA 1.013 57.134 56.100 0.035 0.000 0.988 205 R CB -0.341 29.930 30.300 -0.049 0.000 0.871 205 R HN 0.375 nan 8.270 nan 0.000 0.458 206 A N 0.925 123.769 122.820 0.042 0.000 1.841 206 A HA -0.147 4.174 4.320 0.001 0.000 0.214 206 A C 2.070 179.686 177.584 0.053 0.000 1.195 206 A CA 1.101 53.164 52.037 0.045 0.000 0.611 206 A CB -0.367 18.650 19.000 0.028 0.000 0.835 206 A HN 0.161 nan 8.150 nan 0.000 0.443 207 R N -1.521 119.011 120.500 0.052 0.000 2.148 207 R HA -0.059 4.281 4.340 0.001 0.000 0.227 207 R C -0.399 175.946 176.300 0.074 0.000 1.103 207 R CA 1.104 57.240 56.100 0.061 0.000 0.983 207 R CB -0.223 30.119 30.300 0.070 0.000 0.874 207 R HN 0.523 nan 8.270 nan 0.000 0.451 208 c N 1.179 119.841 118.600 0.103 0.000 2.647 208 c HA 0.417 4.988 4.570 0.001 0.000 0.273 208 c C -2.160 172.022 174.090 0.153 0.000 1.088 208 c CA -2.081 54.312 56.329 0.107 0.000 1.529 208 c CB 0.823 43.413 42.510 0.132 0.000 1.810 208 c HN 0.260 nan 8.230 nan 0.000 0.422 209 P HA -0.039 nan 4.420 nan 0.000 0.282 209 P C 0.527 177.782 177.300 -0.076 0.000 1.273 209 P CA 0.329 63.464 63.100 0.058 0.000 0.809 209 P CB 0.541 32.243 31.700 0.002 0.000 1.246 210 Q N -0.651 118.996 119.800 -0.254 0.000 2.247 210 Q HA 0.131 4.471 4.340 0.001 0.000 0.204 210 Q C -0.677 175.149 176.000 -0.289 0.000 0.872 210 Q CA 0.149 55.608 55.803 -0.573 0.000 0.951 210 Q CB 0.025 28.339 28.738 -0.708 0.000 1.099 210 Q HN 0.278 nan 8.270 nan 0.000 0.501 211 N N -0.565 118.036 118.700 -0.164 0.000 5.698 211 N HA 0.147 4.888 4.740 0.001 0.000 0.140 211 N C -2.056 173.414 175.510 -0.066 0.000 1.032 211 N CA 0.441 53.428 53.050 -0.105 0.000 1.114 211 N CB 0.750 39.179 38.487 -0.097 0.000 1.506 211 N HN 0.130 nan 8.380 nan 0.000 1.091 212 A N 1.385 124.174 122.820 -0.052 0.000 2.686 212 A HA 0.736 5.056 4.320 0.001 0.000 0.263 212 A C 0.449 178.015 177.584 -0.031 0.000 1.264 212 A CA -0.153 51.863 52.037 -0.033 0.000 0.799 212 A CB 0.430 19.415 19.000 -0.024 0.000 1.363 212 A HN 0.354 nan 8.150 nan 0.000 0.507 213 T N 0.485 115.026 114.554 -0.023 0.000 3.235 213 T HA 0.518 4.868 4.350 0.001 0.000 0.251 213 T C 0.399 175.086 174.700 -0.021 0.000 1.060 213 T CA 0.766 62.854 62.100 -0.021 0.000 0.949 213 T CB -0.560 68.299 68.868 -0.015 0.000 1.020 213 T HN 1.755 nan 8.240 nan 0.000 0.564 214 G N 0.251 109.036 108.800 -0.026 0.000 2.356 214 G HA2 0.204 4.164 3.960 0.001 0.000 0.300 214 G HA3 0.204 4.164 3.960 0.001 0.000 0.300 214 G C -2.292 172.588 174.900 -0.034 0.000 1.331 214 G CA -0.996 44.088 45.100 -0.028 0.000 0.905 214 G HN -0.006 nan 8.290 nan 0.000 0.587 215 D N 1.407 121.784 120.400 -0.037 0.000 2.325 215 D HA 0.290 4.930 4.640 0.001 0.000 0.251 215 D C 0.199 176.480 176.300 -0.032 0.000 1.196 215 D CA 0.018 53.989 54.000 -0.049 0.000 0.866 215 D CB 0.552 41.320 40.800 -0.054 0.000 1.101 215 D HN 0.312 nan 8.370 nan 0.000 0.476 216 N N 2.239 120.923 118.700 -0.028 0.000 2.476 216 N HA 0.322 5.062 4.740 0.001 0.000 0.275 216 N C -0.214 175.304 175.510 0.013 0.000 1.190 216 N CA -0.553 52.496 53.050 -0.001 0.000 0.977 216 N CB 1.366 39.862 38.487 0.015 0.000 1.200 216 N HN 0.182 nan 8.380 nan 0.000 0.515 217 L N -0.017 121.225 121.223 0.032 0.000 2.344 217 L HA 0.531 4.871 4.340 0.001 0.000 0.272 217 L C 0.677 177.599 176.870 0.087 0.000 1.035 217 L CA -0.136 54.736 54.840 0.053 0.000 0.807 217 L CB 1.581 43.659 42.059 0.033 0.000 1.237 217 L HN 0.593 nan 8.230 nan 0.000 0.442 218 T N 1.024 115.652 114.554 0.123 0.000 2.982 218 T HA 0.423 4.773 4.350 0.001 0.000 0.321 218 T C -0.953 173.809 174.700 0.105 0.000 1.229 218 T CA -0.894 61.282 62.100 0.127 0.000 1.044 218 T CB 0.748 69.727 68.868 0.185 0.000 1.184 218 T HN 0.511 nan 8.240 nan 0.000 0.477 219 N N 3.521 122.269 118.700 0.080 0.000 2.492 219 N HA 0.159 4.899 4.740 0.001 0.000 0.260 219 N C 1.284 176.831 175.510 0.061 0.000 1.215 219 N CA -0.121 52.969 53.050 0.068 0.000 0.923 219 N CB 0.987 39.511 38.487 0.062 0.000 1.092 219 N HN 0.562 nan 8.380 nan 0.000 0.448 220 L N 0.141 121.396 121.223 0.054 0.000 2.313 220 L HA -0.017 4.323 4.340 0.001 0.000 0.214 220 L C 0.467 177.366 176.870 0.048 0.000 1.119 220 L CA 0.897 55.758 54.840 0.035 0.000 0.809 220 L CB -0.039 42.033 42.059 0.022 0.000 0.933 220 L HN 0.467 nan 8.230 nan 0.000 0.449 221 D N -0.397 120.031 120.400 0.048 0.000 2.389 221 D HA 0.208 4.848 4.640 0.001 0.000 0.256 221 D C 0.740 177.025 176.300 -0.025 0.000 1.239 221 D CA -0.520 53.480 54.000 0.000 0.000 0.925 221 D CB 1.070 41.885 40.800 0.025 0.000 1.145 221 D HN -0.095 nan 8.370 nan 0.000 0.542 222 L N 1.346 122.519 121.223 -0.084 0.000 2.450 222 L HA 0.094 4.434 4.340 0.001 0.000 0.224 222 L C 1.534 178.349 176.870 -0.092 0.000 1.149 222 L CA 0.964 55.748 54.840 -0.093 0.000 0.816 222 L CB -1.451 40.471 42.059 -0.229 0.000 0.932 222 L HN 0.129 nan 8.230 nan 0.000 0.449 223 S N 0.050 115.690 115.700 -0.099 0.000 2.315 223 S HA 0.025 4.495 4.470 0.001 0.000 0.211 223 S C 1.197 175.776 174.600 -0.035 0.000 1.029 223 S CA 1.155 59.308 58.200 -0.079 0.000 0.956 223 S CB -0.385 62.756 63.200 -0.098 0.000 0.918 223 S HN 0.687 nan 8.310 nan 0.000 0.470 224 T N -0.440 114.102 114.554 -0.020 0.000 3.390 224 T HA 0.431 4.781 4.350 0.001 0.000 0.351 224 T C -2.575 172.156 174.700 0.052 0.000 1.759 224 T CA -1.620 60.490 62.100 0.017 0.000 1.561 224 T CB 1.069 69.948 68.868 0.019 0.000 1.011 224 T HN -0.093 nan 8.240 nan 0.000 0.689 225 P HA -0.152 nan 4.420 nan 0.000 0.219 225 P C 0.747 178.129 177.300 0.137 0.000 1.151 225 P CA 1.367 64.516 63.100 0.083 0.000 0.850 225 P CB 0.144 31.878 31.700 0.056 0.000 0.784 226 D N -3.312 117.176 120.400 0.145 0.000 2.500 226 D HA 0.063 4.703 4.640 0.001 0.000 0.217 226 D C 0.534 177.009 176.300 0.292 0.000 1.159 226 D CA 0.123 54.244 54.000 0.200 0.000 0.828 226 D CB 0.291 41.162 40.800 0.118 0.000 1.039 226 D HN 0.245 nan 8.370 nan 0.000 0.512 227 Q N 0.357 120.290 119.800 0.221 0.000 2.256 227 Q HA 0.264 4.605 4.340 0.001 0.000 0.257 227 Q C -1.085 175.011 176.000 0.161 0.000 0.936 227 Q CA -0.637 55.293 55.803 0.212 0.000 0.903 227 Q CB 1.279 30.103 28.738 0.143 0.000 1.263 227 Q HN -0.084 nan 8.270 nan 0.000 0.440 228 F N 5.204 125.169 119.950 0.025 0.000 2.439 228 F HA 0.206 4.733 4.527 0.000 0.000 0.356 228 F C -0.851 175.005 175.800 0.092 0.000 1.161 228 F CA 0.111 58.026 58.000 -0.141 0.000 1.151 228 F CB 0.145 38.982 39.000 -0.272 0.000 1.222 228 F HN 0.600 nan 8.300 nan 0.000 0.558 229 D N 1.399 121.746 120.400 -0.088 0.000 2.615 229 D HA 0.121 4.762 4.640 0.001 0.000 0.267 229 D C -0.335 175.936 176.300 -0.048 0.000 1.236 229 D CA -0.983 53.099 54.000 0.136 0.000 0.839 229 D CB 0.353 41.206 40.800 0.088 0.000 1.380 229 D HN 0.427 nan 8.370 nan 0.000 0.433 230 N N -0.530 118.172 118.700 0.003 0.000 2.551 230 N HA -0.112 4.628 4.740 0.001 0.000 0.199 230 N C 0.611 176.060 175.510 -0.101 0.000 1.277 230 N CA -0.423 52.545 53.050 -0.138 0.000 0.870 230 N CB 0.110 38.560 38.487 -0.062 0.000 1.028 230 N HN 0.074 nan 8.380 nan 0.000 0.452 231 R N 0.387 120.814 120.500 -0.121 0.000 2.120 231 R HA -0.189 4.151 4.340 0.001 0.000 0.234 231 R C 1.484 177.683 176.300 -0.170 0.000 1.123 231 R CA 0.909 56.937 56.100 -0.120 0.000 0.975 231 R CB -1.320 28.920 30.300 -0.101 0.000 0.866 231 R HN 0.536 nan 8.270 nan 0.000 0.446 232 Y N 0.569 120.636 120.300 -0.389 0.000 2.193 232 Y HA -0.299 4.251 4.550 0.000 0.000 0.285 232 Y C 1.597 177.181 175.900 -0.526 0.000 1.166 232 Y CA 1.515 59.320 58.100 -0.493 0.000 1.181 232 Y CB -0.436 37.611 38.460 -0.688 0.000 0.976 232 Y HN 0.041 nan 8.280 nan 0.000 0.520 233 Y N -0.959 119.240 120.300 -0.169 0.000 2.365 233 Y HA -0.095 4.455 4.550 0.001 0.000 0.293 233 Y C 2.642 178.360 175.900 -0.304 0.000 1.119 233 Y CA 1.008 58.974 58.100 -0.223 0.000 1.203 233 Y CB -0.298 38.093 38.460 -0.115 0.000 1.026 233 Y HN 0.041 nan 8.280 nan 0.000 0.549 234 S N 0.222 115.843 115.700 -0.132 0.000 2.368 234 S HA -0.169 4.301 4.470 0.001 0.000 0.224 234 S C 1.705 176.155 174.600 -0.250 0.000 1.029 234 S CA 1.177 59.273 58.200 -0.173 0.000 0.988 234 S CB -0.339 62.782 63.200 -0.131 0.000 0.838 234 S HN 0.509 nan 8.310 nan 0.000 0.462 235 N N 2.065 120.591 118.700 -0.290 0.000 2.149 235 N HA -0.042 4.698 4.740 0.001 0.000 0.188 235 N C 1.628 176.937 175.510 -0.335 0.000 1.019 235 N CA 0.901 53.761 53.050 -0.318 0.000 0.857 235 N CB -0.579 37.692 38.487 -0.360 0.000 0.997 235 N HN 0.390 nan 8.380 nan 0.000 0.426 236 L N 0.115 121.092 121.223 -0.409 0.000 2.083 236 L HA -0.115 4.225 4.340 0.001 0.000 0.209 236 L C 1.812 178.407 176.870 -0.458 0.000 1.083 236 L CA 0.601 55.208 54.840 -0.389 0.000 0.752 236 L CB -0.437 41.372 42.059 -0.416 0.000 0.899 236 L HN 0.081 nan 8.230 nan 0.000 0.433 237 L N -0.547 120.325 121.223 -0.586 0.000 2.191 237 L HA -0.145 4.195 4.340 0.001 0.000 0.212 237 L C 1.978 178.749 176.870 -0.165 0.000 1.103 237 L CA 1.501 56.017 54.840 -0.539 0.000 0.769 237 L CB -0.689 41.122 42.059 -0.413 0.000 0.908 237 L HN 0.301 nan 8.230 nan 0.000 0.438 238 Q N -0.646 119.055 119.800 -0.165 0.000 2.189 238 Q HA 0.265 4.605 4.340 0.001 0.000 0.221 238 Q C 0.265 176.213 176.000 -0.086 0.000 0.848 238 Q CA -0.354 55.389 55.803 -0.100 0.000 1.007 238 Q CB 0.389 29.053 28.738 -0.124 0.000 1.116 238 Q HN 0.235 nan 8.270 nan 0.000 0.481 239 L N -0.156 121.030 121.223 -0.062 0.000 3.737 239 L HA -0.299 4.042 4.340 0.001 0.000 0.418 239 L C -0.128 176.698 176.870 -0.073 0.000 1.216 239 L CA 0.823 55.642 54.840 -0.036 0.000 0.915 239 L CB -2.463 39.596 42.059 0.000 0.000 1.834 239 L HN 0.219 nan 8.230 nan 0.000 0.943 240 N N -0.422 118.179 118.700 -0.164 0.000 2.279 240 N HA 0.370 5.110 4.740 0.001 0.000 0.226 240 N C 1.049 176.429 175.510 -0.217 0.000 1.126 240 N CA 0.488 53.385 53.050 -0.256 0.000 0.846 240 N CB 0.702 38.918 38.487 -0.452 0.000 1.050 240 N HN 0.483 nan 8.380 nan 0.000 0.502 241 G N 0.393 109.102 108.800 -0.153 0.000 2.364 241 G HA2 0.153 4.113 3.960 0.001 0.000 0.267 241 G HA3 0.153 4.113 3.960 0.001 0.000 0.267 241 G C 0.914 175.785 174.900 -0.048 0.000 1.233 241 G CA -0.408 44.595 45.100 -0.162 0.000 0.885 241 G HN 0.172 nan 8.290 nan 0.000 0.490 242 L N 3.505 124.702 121.223 -0.044 0.000 1.988 242 L HA 0.193 4.534 4.340 0.001 0.000 0.207 242 L C 1.503 178.291 176.870 -0.137 0.000 1.071 242 L CA 1.324 56.086 54.840 -0.130 0.000 0.744 242 L CB -0.531 41.421 42.059 -0.177 0.000 0.893 242 L HN 0.457 nan 8.230 nan 0.000 0.433 243 L N -0.242 120.980 121.223 -0.001 0.000 2.439 243 L HA 0.082 4.422 4.340 0.001 0.000 0.261 243 L C 1.535 178.476 176.870 0.119 0.000 1.153 243 L CA 0.085 54.990 54.840 0.107 0.000 0.808 243 L CB 0.614 42.766 42.059 0.154 0.000 1.126 243 L HN 0.284 nan 8.230 nan 0.000 0.460 244 Q N 0.717 120.621 119.800 0.174 0.000 2.124 244 Q HA -0.173 4.167 4.340 0.001 0.000 0.202 244 Q C 1.890 177.995 176.000 0.175 0.000 0.977 244 Q CA 1.959 57.872 55.803 0.184 0.000 0.850 244 Q CB 0.146 29.055 28.738 0.286 0.000 0.901 244 Q HN 0.866 nan 8.270 nan 0.000 0.429 245 S N -0.373 115.437 115.700 0.183 0.000 2.515 245 S HA -0.081 4.390 4.470 0.001 0.000 0.231 245 S C 1.098 175.799 174.600 0.169 0.000 0.987 245 S CA 0.788 59.092 58.200 0.173 0.000 0.936 245 S CB 0.065 63.361 63.200 0.161 0.000 0.766 245 S HN 0.334 nan 8.310 nan 0.000 0.528 246 D N 1.618 122.124 120.400 0.176 0.000 2.106 246 D HA -0.045 4.596 4.640 0.001 0.000 0.203 246 D C 2.099 178.444 176.300 0.076 0.000 0.977 246 D CA 1.212 55.312 54.000 0.166 0.000 0.844 246 D CB -0.528 40.349 40.800 0.129 0.000 1.002 246 D HN 0.368 nan 8.370 nan 0.000 0.461 247 Q N 1.346 121.173 119.800 0.046 0.000 2.096 247 Q HA -0.168 4.172 4.340 0.001 0.000 0.204 247 Q C 1.684 177.746 176.000 0.104 0.000 0.982 247 Q CA 1.465 57.297 55.803 0.049 0.000 0.850 247 Q CB -0.236 28.519 28.738 0.029 0.000 0.901 247 Q HN 0.308 nan 8.270 nan 0.000 0.422 248 E N -0.447 119.817 120.200 0.107 0.000 2.273 248 E HA -0.197 4.153 4.350 0.001 0.000 0.198 248 E C 1.697 178.363 176.600 0.110 0.000 1.002 248 E CA 0.972 57.436 56.400 0.108 0.000 0.828 248 E CB -0.208 29.566 29.700 0.123 0.000 0.747 248 E HN 0.418 nan 8.360 nan 0.000 0.491 249 L N -0.732 120.572 121.223 0.136 0.000 2.275 249 L HA -0.109 4.232 4.340 0.001 0.000 0.215 249 L C 1.991 178.987 176.870 0.210 0.000 1.119 249 L CA 0.646 55.578 54.840 0.153 0.000 0.790 249 L CB -0.082 42.086 42.059 0.182 0.000 0.919 249 L HN 0.146 nan 8.230 nan 0.000 0.443 250 F N -0.980 118.980 119.950 0.017 0.000 2.592 250 F HA 0.135 4.663 4.527 0.000 0.000 0.280 250 F C 1.971 177.769 175.800 -0.003 0.000 1.083 250 F CA 0.160 58.161 58.000 0.002 0.000 1.365 250 F CB 0.339 39.331 39.000 -0.014 0.000 1.100 250 F HN -0.227 nan 8.300 nan 0.000 0.633 251 S N 0.173 115.895 115.700 0.036 0.000 2.685 251 S HA 0.142 4.613 4.470 0.001 0.000 0.240 251 S C 0.141 174.711 174.600 -0.049 0.000 0.967 251 S CA 0.083 58.242 58.200 -0.068 0.000 1.009 251 S CB -0.547 62.662 63.200 0.015 0.000 0.776 251 S HN 0.122 nan 8.310 nan 0.000 0.467 252 T N 5.583 120.109 114.554 -0.047 0.000 2.929 252 T HA 0.240 4.591 4.350 0.001 0.000 0.331 252 T C -2.508 172.161 174.700 -0.051 0.000 1.120 252 T CA -1.522 60.567 62.100 -0.019 0.000 0.973 252 T CB 0.658 69.535 68.868 0.014 0.000 1.036 252 T HN 0.142 nan 8.240 nan 0.000 0.502 253 P HA 0.102 nan 4.420 nan 0.000 0.257 253 P C 0.961 178.235 177.300 -0.043 0.000 1.162 253 P CA 0.948 64.011 63.100 -0.062 0.000 0.762 253 P CB 0.491 32.165 31.700 -0.043 0.000 0.753 254 G N 2.409 111.178 108.800 -0.052 0.000 2.981 254 G HA2 0.070 4.031 3.960 0.001 0.000 0.199 254 G HA3 0.070 4.031 3.960 0.001 0.000 0.199 254 G C 0.446 175.323 174.900 -0.038 0.000 1.586 254 G CA 0.691 45.770 45.100 -0.035 0.000 1.162 254 G HN 0.903 nan 8.290 nan 0.000 0.538 255 A N -0.185 122.614 122.820 -0.036 0.000 5.327 255 A HA 0.204 4.524 4.320 0.001 0.000 0.280 255 A C 1.584 179.162 177.584 -0.011 0.000 2.126 255 A CA 3.387 55.407 52.037 -0.028 0.000 0.716 255 A CB -1.271 17.700 19.000 -0.048 0.000 1.154 255 A HN 2.703 nan 8.150 nan 0.000 0.349 256 D N -5.118 115.275 120.400 -0.012 0.000 1.611 256 D HA -0.164 4.476 4.640 0.001 0.000 0.244 256 D C 1.056 177.351 176.300 -0.009 0.000 0.894 256 D CA 3.034 57.028 54.000 -0.009 0.000 1.202 256 D CB -1.811 38.987 40.800 -0.003 0.000 1.451 256 D HN 1.821 nan 8.370 nan 0.000 0.753 257 T N -0.664 113.893 114.554 0.005 0.000 3.057 257 T HA 0.305 4.655 4.350 0.001 0.000 0.254 257 T C 2.272 176.993 174.700 0.035 0.000 1.094 257 T CA 0.705 62.813 62.100 0.013 0.000 1.088 257 T CB -0.277 68.615 68.868 0.041 0.000 0.934 257 T HN 0.409 nan 8.240 nan 0.000 0.497 258 I N 2.653 123.253 120.570 0.050 0.000 2.118 258 I HA -0.108 4.062 4.170 0.001 0.000 0.241 258 I C -0.163 176.005 176.117 0.086 0.000 1.070 258 I CA 1.516 62.885 61.300 0.114 0.000 1.327 258 I CB -1.124 36.885 38.000 0.015 0.000 1.034 258 I HN 0.227 nan 8.210 nan 0.000 0.405 259 P HA -0.180 nan 4.420 nan 0.000 0.218 259 P C 1.811 179.056 177.300 -0.091 0.000 1.148 259 P CA 1.797 64.885 63.100 -0.020 0.000 0.822 259 P CB -0.156 31.523 31.700 -0.034 0.000 0.784 260 I N -0.807 119.676 120.570 -0.145 0.000 2.252 260 I HA -0.156 4.014 4.170 0.001 0.000 0.245 260 I C 2.563 178.434 176.117 -0.411 0.000 1.102 260 I CA 1.037 62.126 61.300 -0.352 0.000 1.385 260 I CB -0.842 36.953 38.000 -0.342 0.000 1.064 260 I HN -0.191 nan 8.210 nan 0.000 0.414 261 V N 1.409 121.239 119.914 -0.140 0.000 2.343 261 V HA -0.289 3.831 4.120 0.001 0.000 0.247 261 V C 2.030 178.078 176.094 -0.078 0.000 1.051 261 V CA 2.280 64.557 62.300 -0.039 0.000 1.036 261 V CB -1.042 30.861 31.823 0.133 0.000 0.654 261 V HN 0.470 nan 8.190 nan 0.000 0.451 262 N N -0.070 118.611 118.700 -0.030 0.000 2.043 262 N HA -0.216 4.524 4.740 0.001 0.000 0.193 262 N C 2.120 177.601 175.510 -0.048 0.000 1.037 262 N CA 1.568 54.605 53.050 -0.020 0.000 0.851 262 N CB -0.285 38.224 38.487 0.038 0.000 1.027 262 N HN 0.381 nan 8.380 nan 0.000 0.422 263 S N 0.306 115.948 115.700 -0.096 0.000 2.368 263 S HA -0.194 4.276 4.470 0.001 0.000 0.226 263 S C 1.724 176.348 174.600 0.040 0.000 1.044 263 S CA 1.310 59.464 58.200 -0.077 0.000 1.062 263 S CB -0.582 62.503 63.200 -0.192 0.000 0.931 263 S HN 0.322 nan 8.310 nan 0.000 0.440 264 F N 0.773 120.611 119.950 -0.186 0.000 2.075 264 F HA -0.095 4.432 4.527 0.001 0.000 0.297 264 F C 3.151 178.821 175.800 -0.217 0.000 1.113 264 F CA 0.873 58.703 58.000 -0.284 0.000 1.218 264 F CB -0.690 37.830 39.000 -0.799 0.000 0.984 264 F HN 0.303 nan 8.300 nan 0.000 0.472 265 S N -0.392 115.315 115.700 0.012 0.000 2.440 265 S HA -0.182 4.288 4.470 0.001 0.000 0.240 265 S C 1.984 176.583 174.600 -0.003 0.000 1.014 265 S CA 1.583 59.791 58.200 0.013 0.000 0.980 265 S CB -0.301 62.886 63.200 -0.023 0.000 0.775 265 S HN 0.253 nan 8.310 nan 0.000 0.499 266 S N 0.907 116.613 115.700 0.010 0.000 2.327 266 S HA 0.070 4.540 4.470 0.001 0.000 0.213 266 S C 0.843 175.449 174.600 0.009 0.000 1.032 266 S CA 0.301 58.505 58.200 0.005 0.000 0.960 266 S CB -0.315 62.891 63.200 0.010 0.000 0.900 266 S HN 0.748 nan 8.310 nan 0.000 0.469 267 N N 1.216 119.940 118.700 0.039 0.000 2.546 267 N HA 0.179 4.920 4.740 0.001 0.000 0.238 267 N C 0.726 176.250 175.510 0.025 0.000 0.984 267 N CA -0.159 52.908 53.050 0.028 0.000 0.935 267 N CB 0.666 39.182 38.487 0.049 0.000 1.122 267 N HN 0.245 nan 8.380 nan 0.000 0.510 268 Q N 2.763 122.530 119.800 -0.056 0.000 2.124 268 Q HA -0.239 4.101 4.340 0.001 0.000 0.202 268 Q C 1.433 177.287 176.000 -0.244 0.000 0.977 268 Q CA 1.431 57.150 55.803 -0.141 0.000 0.850 268 Q CB 0.014 28.576 28.738 -0.293 0.000 0.901 268 Q HN 0.634 nan 8.270 nan 0.000 0.429 269 N N -0.447 118.140 118.700 -0.188 0.000 2.120 269 N HA -0.126 4.614 4.740 0.001 0.000 0.188 269 N C 1.447 176.971 175.510 0.024 0.000 1.024 269 N CA 1.872 54.859 53.050 -0.106 0.000 0.852 269 N CB -0.325 38.140 38.487 -0.038 0.000 1.003 269 N HN 0.236 nan 8.380 nan 0.000 0.424 270 T N 0.720 115.309 114.554 0.058 0.000 2.652 270 T HA -0.154 4.196 4.350 0.001 0.000 0.267 270 T C 1.601 176.361 174.700 0.099 0.000 1.039 270 T CA 1.350 63.533 62.100 0.138 0.000 1.153 270 T CB -0.603 68.398 68.868 0.223 0.000 0.863 270 T HN 0.330 nan 8.240 nan 0.000 0.428 271 F N 1.805 121.619 119.950 -0.227 0.000 2.065 271 F HA -0.131 4.397 4.527 0.000 0.000 0.298 271 F C 1.812 177.504 175.800 -0.180 0.000 1.112 271 F CA 1.001 58.505 58.000 -0.827 0.000 1.212 271 F CB -0.909 37.647 39.000 -0.741 0.000 0.975 271 F HN 0.062 nan 8.300 nan 0.000 0.476 272 F N 1.128 120.712 119.950 -0.611 0.000 2.115 272 F HA -0.238 4.289 4.527 0.000 0.000 0.300 272 F C 2.845 178.490 175.800 -0.258 0.000 1.092 272 F CA 1.603 59.303 58.000 -0.501 0.000 1.245 272 F CB -1.598 37.304 39.000 -0.163 0.000 0.995 272 F HN 0.035 nan 8.300 nan 0.000 0.481 273 S N -0.339 115.388 115.700 0.046 0.000 2.371 273 S HA -0.137 4.333 4.470 0.001 0.000 0.224 273 S C 1.869 176.468 174.600 -0.002 0.000 1.029 273 S CA 0.846 59.069 58.200 0.038 0.000 0.978 273 S CB -0.316 62.926 63.200 0.069 0.000 0.833 273 S HN 0.390 nan 8.310 nan 0.000 0.466 274 N N 0.661 119.372 118.700 0.018 0.000 2.223 274 N HA -0.048 4.692 4.740 0.001 0.000 0.185 274 N C 1.426 176.933 175.510 -0.004 0.000 1.016 274 N CA 0.782 53.876 53.050 0.074 0.000 0.863 274 N CB -0.320 38.343 38.487 0.293 0.000 0.983 274 N HN 0.309 nan 8.380 nan 0.000 0.429 275 F N 2.985 122.767 119.950 -0.281 0.000 2.046 275 F HA -0.149 4.378 4.527 0.001 0.000 0.297 275 F C 2.377 177.895 175.800 -0.470 0.000 1.123 275 F CA 1.508 59.305 58.000 -0.339 0.000 1.199 275 F CB -0.251 38.462 39.000 -0.479 0.000 0.972 275 F HN -0.058 nan 8.300 nan 0.000 0.474 276 R N -0.227 120.035 120.500 -0.398 0.000 2.119 276 R HA -0.204 4.136 4.340 0.001 0.000 0.246 276 R C 2.042 177.882 176.300 -0.766 0.000 1.146 276 R CA 1.912 57.536 56.100 -0.793 0.000 0.962 276 R CB -1.521 28.644 30.300 -0.225 0.000 0.863 276 R HN 0.294 nan 8.270 nan 0.000 0.442 277 V N 1.016 120.692 119.914 -0.397 0.000 2.270 277 V HA -0.225 3.896 4.120 0.001 0.000 0.245 277 V C 2.357 178.272 176.094 -0.300 0.000 1.043 277 V CA 2.115 64.249 62.300 -0.276 0.000 1.014 277 V CB -0.457 31.292 31.823 -0.124 0.000 0.645 277 V HN 0.304 nan 8.190 nan 0.000 0.447 278 S N -0.473 115.053 115.700 -0.290 0.000 2.383 278 S HA -0.184 4.287 4.470 0.001 0.000 0.229 278 S C 1.975 176.370 174.600 -0.341 0.000 1.030 278 S CA 1.514 59.574 58.200 -0.235 0.000 1.002 278 S CB -0.327 62.784 63.200 -0.148 0.000 0.829 278 S HN 0.362 nan 8.310 nan 0.000 0.467 279 M N 0.746 119.966 119.600 -0.634 0.000 2.229 279 M HA 0.051 4.532 4.480 0.001 0.000 0.264 279 M C 1.982 178.087 176.300 -0.325 0.000 1.063 279 M CA 1.158 56.117 55.300 -0.568 0.000 1.114 279 M CB -1.124 30.905 32.600 -0.950 0.000 1.387 279 M HN 0.324 nan 8.290 nan 0.000 0.420 280 I N -0.349 119.977 120.570 -0.405 0.000 2.202 280 I HA -0.310 3.860 4.170 0.001 0.000 0.242 280 I C 2.526 178.586 176.117 -0.095 0.000 1.091 280 I CA 1.133 62.310 61.300 -0.204 0.000 1.368 280 I CB -0.483 37.384 38.000 -0.223 0.000 1.058 280 I HN 0.291 nan 8.210 nan 0.000 0.410 281 K N 1.054 121.386 120.400 -0.112 0.000 2.044 281 K HA -0.254 4.066 4.320 0.001 0.000 0.210 281 K C 2.306 178.891 176.600 -0.025 0.000 1.049 281 K CA 1.825 58.078 56.287 -0.056 0.000 0.927 281 K CB -0.131 32.339 32.500 -0.050 0.000 0.713 281 K HN 0.189 nan 8.250 nan 0.000 0.443 282 M N -0.236 119.352 119.600 -0.020 0.000 2.159 282 M HA -0.072 4.409 4.480 0.001 0.000 0.263 282 M C 1.532 177.864 176.300 0.052 0.000 1.063 282 M CA 1.927 57.246 55.300 0.032 0.000 1.110 282 M CB -0.125 32.506 32.600 0.052 0.000 1.374 282 M HN 0.253 nan 8.290 nan 0.000 0.411 283 G N 0.193 109.048 108.800 0.091 0.000 2.990 283 G HA2 -0.113 3.847 3.960 0.001 0.000 0.206 283 G HA3 -0.113 3.847 3.960 0.001 0.000 0.206 283 G C 0.878 175.828 174.900 0.083 0.000 1.169 283 G CA 0.133 45.330 45.100 0.161 0.000 0.819 283 G HN 0.503 nan 8.290 nan 0.000 0.517 284 N N -0.135 118.585 118.700 0.034 0.000 2.171 284 N HA 0.160 4.900 4.740 0.001 0.000 0.212 284 N C 0.379 175.884 175.510 -0.007 0.000 1.184 284 N CA -0.270 52.787 53.050 0.012 0.000 0.888 284 N CB 0.764 39.251 38.487 0.000 0.000 1.038 284 N HN 0.213 nan 8.380 nan 0.000 0.517 285 I N 1.198 121.759 120.570 -0.014 0.000 2.668 285 I HA -0.023 4.147 4.170 0.001 0.000 0.285 285 I C 1.286 177.381 176.117 -0.036 0.000 1.168 285 I CA 0.382 61.658 61.300 -0.040 0.000 1.424 285 I CB 0.402 38.366 38.000 -0.060 0.000 1.377 285 I HN 0.179 nan 8.210 nan 0.000 0.560 286 G N 5.112 113.886 108.800 -0.043 0.000 2.422 286 G HA2 -0.230 3.730 3.960 0.001 0.000 0.301 286 G HA3 -0.230 3.730 3.960 0.001 0.000 0.301 286 G C 0.195 175.081 174.900 -0.024 0.000 0.981 286 G CA -0.104 44.975 45.100 -0.036 0.000 0.994 286 G HN 0.438 nan 8.290 nan 0.000 0.514 287 V N 0.056 119.958 119.914 -0.019 0.000 2.843 287 V HA 0.359 4.479 4.120 0.001 0.000 0.305 287 V C 1.072 177.156 176.094 -0.017 0.000 1.065 287 V CA 0.038 62.329 62.300 -0.015 0.000 1.116 287 V CB 1.443 33.258 31.823 -0.014 0.000 0.968 287 V HN 0.347 nan 8.190 nan 0.000 0.487 288 L N 5.273 126.485 121.223 -0.018 0.000 2.305 288 L HA 0.598 4.938 4.340 0.001 0.000 0.284 288 L C 0.186 177.040 176.870 -0.028 0.000 1.013 288 L CA -0.227 54.603 54.840 -0.016 0.000 0.819 288 L CB 1.660 43.714 42.059 -0.008 0.000 1.227 288 L HN 0.849 nan 8.230 nan 0.000 0.417 289 T N -1.326 113.213 114.554 -0.025 0.000 2.773 289 T HA 0.797 5.147 4.350 0.001 0.000 0.278 289 T C 0.708 175.404 174.700 -0.006 0.000 1.011 289 T CA -0.045 62.033 62.100 -0.036 0.000 1.014 289 T CB 1.861 70.702 68.868 -0.044 0.000 1.293 289 T HN 0.781 nan 8.240 nan 0.000 0.554 290 G N 1.903 110.709 108.800 0.011 0.000 3.099 290 G HA2 -0.368 3.592 3.960 0.001 0.000 0.331 290 G HA3 -0.368 3.592 3.960 0.001 0.000 0.331 290 G C 0.471 175.396 174.900 0.043 0.000 1.216 290 G CA 1.063 46.186 45.100 0.039 0.000 0.977 290 G HN 1.250 nan 8.290 nan 0.000 0.600 291 D N 1.613 122.031 120.400 0.029 0.000 2.469 291 D HA 0.177 4.817 4.640 0.001 0.000 0.213 291 D C 0.516 176.830 176.300 0.022 0.000 1.135 291 D CA 0.357 54.374 54.000 0.029 0.000 0.834 291 D CB 0.033 40.847 40.800 0.024 0.000 1.009 291 D HN 0.687 nan 8.370 nan 0.000 0.507 292 E N 1.189 121.398 120.200 0.016 0.000 2.383 292 E HA 0.397 4.747 4.350 0.001 0.000 0.264 292 E C 1.094 177.702 176.600 0.014 0.000 1.050 292 E CA 0.268 56.675 56.400 0.012 0.000 0.896 292 E CB 0.785 30.488 29.700 0.005 0.000 0.982 292 E HN 0.285 nan 8.360 nan 0.000 0.424 293 G N 2.167 110.975 108.800 0.014 0.000 2.564 293 G HA2 -0.325 3.636 3.960 0.001 0.000 0.273 293 G HA3 -0.325 3.636 3.960 0.001 0.000 0.273 293 G C -0.079 174.836 174.900 0.025 0.000 1.242 293 G CA 0.615 45.726 45.100 0.018 0.000 0.951 293 G HN 0.788 nan 8.290 nan 0.000 0.564 294 E N -2.490 117.728 120.200 0.030 0.000 2.368 294 E HA 0.676 5.027 4.350 0.001 0.000 0.257 294 E C -1.251 175.378 176.600 0.049 0.000 1.022 294 E CA -1.134 55.290 56.400 0.039 0.000 0.886 294 E CB 1.129 30.851 29.700 0.037 0.000 1.740 294 E HN 0.591 nan 8.360 nan 0.000 0.456 295 I N 1.766 122.370 120.570 0.056 0.000 2.464 295 I HA 0.335 4.506 4.170 0.001 0.000 0.277 295 I C -0.027 176.125 176.117 0.057 0.000 1.040 295 I CA -0.520 60.820 61.300 0.067 0.000 1.153 295 I CB 0.833 38.883 38.000 0.084 0.000 1.274 295 I HN 0.565 nan 8.210 nan 0.000 0.469 296 R N 3.434 123.965 120.500 0.052 0.000 2.570 296 R HA 0.099 4.439 4.340 0.001 0.000 0.277 296 R C 0.641 176.972 176.300 0.051 0.000 1.039 296 R CA -0.205 55.925 56.100 0.050 0.000 1.065 296 R CB 0.883 31.208 30.300 0.041 0.000 0.964 296 R HN 0.404 nan 8.270 nan 0.000 0.428 297 L N 2.166 123.422 121.223 0.055 0.000 2.249 297 L HA 0.044 4.384 4.340 0.001 0.000 0.207 297 L C 0.344 177.246 176.870 0.054 0.000 1.090 297 L CA 1.239 56.110 54.840 0.051 0.000 0.802 297 L CB -0.339 41.749 42.059 0.049 0.000 0.947 297 L HN 0.550 nan 8.230 nan 0.000 0.453 298 Q N -1.937 117.905 119.800 0.071 0.000 2.292 298 Q HA 0.221 4.561 4.340 0.001 0.000 0.270 298 Q C 0.308 176.344 176.000 0.059 0.000 1.024 298 Q CA -0.259 55.594 55.803 0.082 0.000 0.768 298 Q CB 1.486 30.312 28.738 0.148 0.000 1.250 298 Q HN 0.134 nan 8.270 nan 0.000 0.447 299 c N 3.239 121.849 118.600 0.016 0.000 2.449 299 c HA 0.015 4.586 4.570 0.001 0.000 0.283 299 c C 1.295 175.329 174.090 -0.093 0.000 1.453 299 c CA 0.909 57.224 56.329 -0.023 0.000 1.779 299 c CB -1.267 41.227 42.510 -0.027 0.000 1.779 299 c HN 0.885 nan 8.230 nan 0.000 0.546 300 N N -1.163 117.439 118.700 -0.162 0.000 2.392 300 N HA 0.151 4.891 4.740 0.001 0.000 0.177 300 N C -0.270 174.756 175.510 -0.808 0.000 1.066 300 N CA 0.441 53.206 53.050 -0.474 0.000 0.895 300 N CB 0.273 38.406 38.487 -0.589 0.000 0.988 300 N HN 0.393 nan 8.380 nan 0.000 0.457 301 F N 0.010 119.963 119.950 0.005 0.000 2.576 301 F HA 0.405 4.932 4.527 0.001 0.000 0.313 301 F C 0.043 175.847 175.800 0.008 0.000 1.078 301 F CA -1.270 56.733 58.000 0.005 0.000 0.921 301 F CB 1.017 40.020 39.000 0.005 0.000 1.232 301 F HN -0.366 nan 8.300 nan 0.000 0.459 302 V N 1.441 121.474 119.914 0.198 0.000 2.924 302 V HA 0.035 4.155 4.120 0.001 0.000 0.305 302 V C 0.154 176.314 176.094 0.110 0.000 1.073 302 V CA -0.866 61.502 62.300 0.114 0.000 1.098 302 V CB 0.368 32.241 31.823 0.083 0.000 1.000 302 V HN 0.602 nan 8.190 nan 0.000 0.484 303 N N 3.637 122.382 118.700 0.075 0.000 2.394 303 N HA 0.289 5.029 4.740 0.001 0.000 0.282 303 N C 0.544 176.081 175.510 0.045 0.000 1.351 303 N CA 1.426 54.511 53.050 0.059 0.000 0.936 303 N CB -0.010 38.504 38.487 0.046 0.000 1.274 303 N HN 1.153 nan 8.380 nan 0.000 0.489 304 G N 0.000 108.822 108.800 0.036 0.000 5.446 304 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 304 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 304 G CA 0.000 45.108 45.100 0.014 0.000 0.502 304 G HN 0.000 nan 8.290 nan 0.000 0.925