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 2nyz_1_A DATA FIRST_RESID 12 DATA SEQUENCE HSSGVSTQSV DLSQIKRGDE IQAHcLTPAE TEVTEcAGIL KDVLSKNLHE DATA SEQUENCE LQGLcNVKNK MGVPWVSVEE LGQEIITGRL PFPSVGGTPV NDLVRVLVVA DATA SEQUENCE ESNTPEETPE EEFYAYVELQ TELYTFGLSD DNVVFTSDYM TVWMIDIPKS DATA SEQUENCE YVDVGMLTRA TFLEQWPGAK VTVMIPYSST FTWcGELGAI SEESAPQPSL DATA SEQUENCE SARSPVcKNS ARYSTSKFCE VDGcTAETGM EKMSLLTPFG GPPQQAKMNT DATA SEQUENCE cPcYYKYSVS PLPAMDHLIL ADLAGLDSLT SPVYVMAAYF DSTHENPVRP DATA SEQUENCE SSKLYHcALQ MTSHDGVWTS TSSEQcPIRL VEGQSQNVLQ VRVAPTSMPN DATA SEQUENCE LVGVSLMLEG QQYRLEYFGD H 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 12 H HA 0.000 nan 4.556 nan 0.000 0.296 12 H C 0.000 175.305 175.328 -0.039 0.000 0.993 12 H CA 0.000 56.032 56.048 -0.027 0.000 1.023 12 H CB 0.000 29.745 29.762 -0.028 0.000 1.292 13 S N 0.606 116.275 115.700 -0.051 0.000 2.383 13 S HA -0.096 4.374 4.470 -0.000 0.000 0.229 13 S C 1.247 175.804 174.600 -0.072 0.000 1.030 13 S CA 1.461 59.605 58.200 -0.093 0.000 1.002 13 S CB 0.159 63.315 63.200 -0.073 0.000 0.829 13 S HN 0.826 nan 8.310 nan 0.000 0.467 14 S N -0.616 115.065 115.700 -0.031 0.000 2.806 14 S HA 0.886 5.355 4.470 -0.000 0.000 0.315 14 S C -0.018 174.576 174.600 -0.010 0.000 1.127 14 S CA -0.199 57.981 58.200 -0.034 0.000 0.918 14 S CB 1.815 64.996 63.200 -0.030 0.000 1.240 14 S HN 0.811 nan 8.310 nan 0.000 0.552 15 G N -1.230 107.556 108.800 -0.023 0.000 2.369 15 G HA2 0.413 4.373 3.960 -0.000 0.000 0.295 15 G HA3 0.413 4.373 3.960 -0.000 0.000 0.295 15 G C -1.986 172.894 174.900 -0.034 0.000 1.298 15 G CA -0.163 44.929 45.100 -0.014 0.000 0.940 15 G HN 1.536 nan 8.290 nan 0.000 0.536 16 V N 0.530 120.432 119.914 -0.021 0.000 2.851 16 V HA 0.850 4.969 4.120 -0.000 0.000 0.307 16 V C 0.020 176.115 176.094 0.001 0.000 1.129 16 V CA -0.024 62.263 62.300 -0.022 0.000 0.932 16 V CB 1.697 33.517 31.823 -0.004 0.000 1.024 16 V HN 1.874 nan 8.190 nan 0.000 0.426 17 S N 1.908 117.606 115.700 -0.004 0.000 2.588 17 S HA 0.963 5.433 4.470 -0.000 0.000 0.275 17 S C -0.526 174.111 174.600 0.062 0.000 1.130 17 S CA -0.222 57.995 58.200 0.028 0.000 0.855 17 S CB 2.489 65.692 63.200 0.005 0.000 1.116 17 S HN 1.184 nan 8.310 nan 0.000 0.472 18 T N -1.885 112.742 114.554 0.121 0.000 2.831 18 T HA 0.880 5.229 4.350 -0.000 0.000 0.287 18 T C -1.245 173.571 174.700 0.194 0.000 1.070 18 T CA -0.625 61.607 62.100 0.221 0.000 1.010 18 T CB 1.661 70.766 68.868 0.396 0.000 1.264 18 T HN 1.389 nan 8.240 nan 0.000 0.532 19 Q N -0.445 119.530 119.800 0.292 0.000 2.791 19 Q HA 0.432 4.772 4.340 -0.000 0.000 0.280 19 Q C -1.733 174.431 176.000 0.273 0.000 0.928 19 Q CA -0.970 54.951 55.803 0.196 0.000 0.819 19 Q CB 0.638 29.440 28.738 0.107 0.000 1.552 19 Q HN 0.638 nan 8.270 nan 0.000 0.410 20 S N 0.467 116.270 115.700 0.172 0.000 2.592 20 S HA 0.527 4.997 4.470 -0.000 0.000 0.271 20 S C -0.355 174.339 174.600 0.157 0.000 1.326 20 S CA -0.507 57.802 58.200 0.182 0.000 1.024 20 S CB 1.226 64.484 63.200 0.096 0.000 0.921 20 S HN 0.388 nan 8.310 nan 0.000 0.527 21 V N 2.546 122.560 119.914 0.165 0.000 2.349 21 V HA 0.281 4.401 4.120 -0.000 0.000 0.284 21 V C -0.571 175.574 176.094 0.085 0.000 1.014 21 V CA -0.685 61.679 62.300 0.106 0.000 0.826 21 V CB 1.452 33.331 31.823 0.095 0.000 1.009 21 V HN 0.794 nan 8.190 nan 0.000 0.431 22 D N 4.346 124.782 120.400 0.060 0.000 2.467 22 D HA 0.328 4.968 4.640 -0.000 0.000 0.220 22 D C 1.030 177.349 176.300 0.032 0.000 1.103 22 D CA -0.213 53.815 54.000 0.047 0.000 0.886 22 D CB 1.506 42.329 40.800 0.039 0.000 1.025 22 D HN 0.414 nan 8.370 nan 0.000 0.514 23 L N 1.932 123.174 121.223 0.031 0.000 2.191 23 L HA -0.157 4.182 4.340 -0.000 0.000 0.212 23 L C 2.173 179.050 176.870 0.012 0.000 1.103 23 L CA 0.645 55.496 54.840 0.017 0.000 0.769 23 L CB -0.135 41.933 42.059 0.016 0.000 0.908 23 L HN 0.268 nan 8.230 nan 0.000 0.438 24 S N -0.742 114.968 115.700 0.016 0.000 2.402 24 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 24 S C 1.738 176.344 174.600 0.010 0.000 1.021 24 S CA 0.876 59.083 58.200 0.012 0.000 0.974 24 S CB -0.064 63.144 63.200 0.014 0.000 0.800 24 S HN 0.424 nan 8.310 nan 0.000 0.484 25 Q N 0.279 120.087 119.800 0.012 0.000 2.403 25 Q HA 0.312 4.652 4.340 -0.000 0.000 0.203 25 Q C 0.087 176.090 176.000 0.006 0.000 0.932 25 Q CA 0.232 56.041 55.803 0.010 0.000 0.945 25 Q CB -0.093 28.653 28.738 0.014 0.000 1.045 25 Q HN 0.531 nan 8.270 nan 0.000 0.511 26 I N 2.143 122.716 120.570 0.004 0.000 2.354 26 I HA 0.135 4.305 4.170 -0.000 0.000 0.292 26 I C 0.114 176.226 176.117 -0.008 0.000 0.989 26 I CA -0.987 60.312 61.300 -0.003 0.000 1.188 26 I CB 1.133 39.131 38.000 -0.004 0.000 1.342 26 I HN -0.346 nan 8.210 nan 0.000 0.457 27 K N 7.745 128.137 120.400 -0.013 0.000 2.255 27 K HA -0.025 4.294 4.320 -0.000 0.000 0.269 27 K C 0.392 176.982 176.600 -0.017 0.000 1.158 27 K CA 0.370 56.647 56.287 -0.015 0.000 1.155 27 K CB -0.446 32.041 32.500 -0.023 0.000 0.889 27 K HN 0.576 nan 8.250 nan 0.000 0.440 28 R N 0.016 120.510 120.500 -0.009 0.000 3.776 28 R HA -0.194 4.146 4.340 -0.000 0.000 0.312 28 R C 1.290 177.583 176.300 -0.012 0.000 1.181 28 R CA 0.446 56.543 56.100 -0.006 0.000 0.836 28 R CB -2.386 27.912 30.300 -0.003 0.000 1.324 28 R HN 0.807 nan 8.270 nan 0.000 0.501 29 G N 1.978 110.770 108.800 -0.014 0.000 2.469 29 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.219 29 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.219 29 G C 1.216 176.102 174.900 -0.023 0.000 1.150 29 G CA 1.288 46.378 45.100 -0.018 0.000 0.763 29 G HN 0.660 nan 8.290 nan 0.000 0.561 30 D N 0.994 121.382 120.400 -0.020 0.000 2.149 30 D HA -0.142 4.498 4.640 -0.000 0.000 0.198 30 D C 1.941 178.200 176.300 -0.069 0.000 0.990 30 D CA 1.372 55.352 54.000 -0.033 0.000 0.839 30 D CB -0.504 40.284 40.800 -0.019 0.000 0.948 30 D HN 0.508 nan 8.370 nan 0.000 0.460 31 E N 0.586 120.757 120.200 -0.048 0.000 2.051 31 E HA -0.020 4.330 4.350 -0.000 0.000 0.189 31 E C 2.609 179.164 176.600 -0.074 0.000 0.979 31 E CA 0.301 56.667 56.400 -0.057 0.000 0.803 31 E CB 0.005 29.735 29.700 0.050 0.000 0.761 31 E HN 0.317 nan 8.360 nan 0.000 0.451 32 I N 1.331 121.882 120.570 -0.032 0.000 2.118 32 I HA -0.285 3.885 4.170 -0.000 0.000 0.241 32 I C 2.543 178.632 176.117 -0.047 0.000 1.070 32 I CA 1.183 62.468 61.300 -0.024 0.000 1.327 32 I CB -0.298 37.683 38.000 -0.031 0.000 1.034 32 I HN 0.100 nan 8.210 nan 0.000 0.405 33 Q N 0.673 120.437 119.800 -0.061 0.000 2.491 33 Q HA -0.030 4.310 4.340 -0.000 0.000 0.214 33 Q C 1.255 177.196 176.000 -0.098 0.000 0.970 33 Q CA 0.875 56.642 55.803 -0.061 0.000 0.960 33 Q CB 0.304 29.018 28.738 -0.040 0.000 0.996 33 Q HN 0.582 nan 8.270 nan 0.000 0.524 34 A N -1.470 121.238 122.820 -0.187 0.000 2.340 34 A HA 0.095 4.415 4.320 -0.000 0.000 0.213 34 A C 0.859 178.221 177.584 -0.370 0.000 1.299 34 A CA -0.115 51.731 52.037 -0.319 0.000 0.994 34 A CB 0.343 19.053 19.000 -0.483 0.000 1.132 34 A HN 0.329 nan 8.150 nan 0.000 0.519 35 H N -2.589 116.484 119.070 0.006 0.000 3.440 35 H HA 0.246 4.802 4.556 -0.000 0.000 0.259 35 H C 1.197 176.531 175.328 0.009 0.000 1.120 35 H CA 0.421 56.474 56.048 0.009 0.000 1.191 35 H CB 0.312 30.079 29.762 0.010 0.000 1.537 35 H HN 0.459 nan 8.280 nan 0.000 0.547 36 c N 0.006 118.653 118.600 0.079 0.000 2.478 36 c HA 0.280 4.849 4.570 -0.000 0.000 0.397 36 c C 1.926 176.029 174.090 0.022 0.000 1.360 36 c CA 0.105 56.464 56.329 0.051 0.000 2.191 36 c CB 0.166 42.694 42.510 0.029 0.000 2.654 36 c HN 0.250 nan 8.230 nan 0.000 0.548 37 L N 0.839 122.060 121.223 -0.004 0.000 2.872 37 L HA 0.253 4.593 4.340 -0.000 0.000 0.245 37 L C -0.322 176.533 176.870 -0.025 0.000 1.211 37 L CA 0.560 55.388 54.840 -0.019 0.000 1.013 37 L CB -0.258 41.782 42.059 -0.032 0.000 1.326 37 L HN 0.265 nan 8.230 nan 0.000 0.525 38 T N 0.445 114.991 114.554 -0.012 0.000 2.952 38 T HA 0.312 4.661 4.350 -0.000 0.000 0.305 38 T C -2.779 171.928 174.700 0.010 0.000 1.064 38 T CA -1.203 60.890 62.100 -0.012 0.000 1.008 38 T CB 2.447 71.303 68.868 -0.021 0.000 1.078 38 T HN -0.186 nan 8.240 nan 0.000 0.459 39 P HA 0.374 nan 4.420 nan 0.000 0.263 39 P C -0.586 176.734 177.300 0.034 0.000 1.247 39 P CA 0.118 63.227 63.100 0.014 0.000 0.876 39 P CB 0.498 32.196 31.700 -0.003 0.000 0.928 40 A N 4.302 127.156 122.820 0.057 0.000 2.905 40 A HA 0.408 4.728 4.320 -0.000 0.000 0.193 40 A C -0.356 177.265 177.584 0.062 0.000 1.268 40 A CA -0.250 51.834 52.037 0.079 0.000 1.416 40 A CB -0.191 18.904 19.000 0.158 0.000 1.753 40 A HN 0.325 nan 8.150 nan 0.000 0.583 41 E N 1.689 121.927 120.200 0.063 0.000 2.558 41 E HA 0.232 4.582 4.350 -0.000 0.000 0.255 41 E C -0.378 176.242 176.600 0.034 0.000 0.968 41 E CA 0.635 57.052 56.400 0.028 0.000 0.939 41 E CB 0.088 29.784 29.700 -0.007 0.000 0.921 41 E HN 0.370 nan 8.360 nan 0.000 0.477 42 T N 4.638 119.209 114.554 0.029 0.000 3.418 42 T HA 0.093 4.442 4.350 -0.000 0.000 0.239 42 T C -0.339 174.381 174.700 0.035 0.000 0.905 42 T CA -0.054 62.066 62.100 0.034 0.000 0.929 42 T CB -0.352 68.535 68.868 0.031 0.000 1.121 42 T HN 0.236 nan 8.240 nan 0.000 0.608 43 E N 0.769 120.989 120.200 0.032 0.000 2.304 43 E HA 0.152 4.502 4.350 -0.000 0.000 0.277 43 E C 1.080 177.700 176.600 0.034 0.000 0.898 43 E CA -0.372 56.046 56.400 0.031 0.000 0.764 43 E CB 2.181 31.891 29.700 0.016 0.000 1.216 43 E HN 0.078 nan 8.360 nan 0.000 0.419 44 V N 0.312 120.253 119.914 0.045 0.000 2.568 44 V HA -0.252 3.868 4.120 -0.000 0.000 0.253 44 V C 1.697 177.812 176.094 0.035 0.000 1.072 44 V CA 2.277 64.607 62.300 0.050 0.000 1.084 44 V CB -1.176 30.681 31.823 0.058 0.000 0.676 44 V HN 0.630 nan 8.190 nan 0.000 0.469 45 T N 0.847 115.413 114.554 0.020 0.000 2.564 45 T HA -0.319 4.031 4.350 -0.000 0.000 0.264 45 T C 1.679 176.378 174.700 -0.001 0.000 1.100 45 T CA 2.697 64.801 62.100 0.007 0.000 1.171 45 T CB -0.456 68.409 68.868 -0.004 0.000 0.863 45 T HN 0.655 nan 8.240 nan 0.000 0.430 46 E N 0.191 120.376 120.200 -0.025 0.000 2.013 46 E HA -0.136 4.214 4.350 -0.000 0.000 0.202 46 E C 2.479 179.081 176.600 0.004 0.000 1.018 46 E CA 1.319 57.682 56.400 -0.060 0.000 0.834 46 E CB -1.200 28.404 29.700 -0.161 0.000 0.770 46 E HN 0.585 nan 8.360 nan 0.000 0.459 47 c N 0.791 119.419 118.600 0.047 0.000 2.413 47 c HA -0.100 4.470 4.570 -0.000 0.000 0.277 47 c C 2.754 176.882 174.090 0.064 0.000 1.265 47 c CA 1.335 57.710 56.329 0.078 0.000 1.752 47 c CB -1.218 41.342 42.510 0.084 0.000 1.998 47 c HN 0.468 nan 8.230 nan 0.000 0.489 48 A N 0.291 123.148 122.820 0.061 0.000 1.972 48 A HA 0.128 4.447 4.320 -0.000 0.000 0.219 48 A C 2.395 180.028 177.584 0.081 0.000 1.169 48 A CA 2.067 54.151 52.037 0.080 0.000 0.635 48 A CB -1.319 17.714 19.000 0.054 0.000 0.810 48 A HN 0.720 nan 8.150 nan 0.000 0.446 49 G N 0.467 109.297 108.800 0.050 0.000 2.464 49 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.214 49 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.214 49 G C 1.506 176.435 174.900 0.049 0.000 1.218 49 G CA 1.111 46.236 45.100 0.041 0.000 0.794 49 G HN 0.466 nan 8.290 nan 0.000 0.542 50 I N 0.663 121.260 120.570 0.045 0.000 2.145 50 I HA -0.219 3.951 4.170 -0.000 0.000 0.244 50 I C 2.752 178.874 176.117 0.008 0.000 1.075 50 I CA 0.980 62.302 61.300 0.036 0.000 1.332 50 I CB -0.378 37.657 38.000 0.057 0.000 1.033 50 I HN 0.116 nan 8.210 nan 0.000 0.410 51 L N 0.495 121.721 121.223 0.005 0.000 2.141 51 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 51 L C 2.663 179.510 176.870 -0.038 0.000 1.094 51 L CA 1.184 55.972 54.840 -0.087 0.000 0.763 51 L CB -0.558 41.445 42.059 -0.093 0.000 0.908 51 L HN 0.288 nan 8.230 nan 0.000 0.437 52 K N 0.405 120.918 120.400 0.188 0.000 2.057 52 K HA -0.228 4.091 4.320 -0.000 0.000 0.206 52 K C 1.657 178.362 176.600 0.175 0.000 1.050 52 K CA 1.878 58.370 56.287 0.342 0.000 0.935 52 K CB 0.052 32.670 32.500 0.197 0.000 0.715 52 K HN 0.196 nan 8.250 nan 0.000 0.439 53 D N -0.037 120.407 120.400 0.073 0.000 2.077 53 D HA -0.150 4.489 4.640 -0.000 0.000 0.197 53 D C 1.891 178.191 176.300 0.000 0.000 0.983 53 D CA 1.892 55.913 54.000 0.035 0.000 0.841 53 D CB -0.108 40.705 40.800 0.020 0.000 0.992 53 D HN -0.010 nan 8.370 nan 0.000 0.450 54 V N 0.220 120.112 119.914 -0.036 0.000 2.250 54 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 54 V C 2.518 178.537 176.094 -0.125 0.000 1.060 54 V CA 1.535 63.791 62.300 -0.074 0.000 1.030 54 V CB -0.619 31.152 31.823 -0.087 0.000 0.643 54 V HN 0.292 nan 8.190 nan 0.000 0.445 55 L N -0.223 120.857 121.223 -0.239 0.000 2.291 55 L HA -0.013 4.327 4.340 -0.000 0.000 0.214 55 L C 2.445 179.241 176.870 -0.123 0.000 1.120 55 L CA 1.472 56.092 54.840 -0.367 0.000 0.799 55 L CB -0.859 40.560 42.059 -1.067 0.000 0.925 55 L HN 0.222 nan 8.230 nan 0.000 0.446 56 S N -1.020 114.702 115.700 0.037 0.000 2.428 56 S HA -0.077 4.393 4.470 -0.000 0.000 0.230 56 S C 1.793 176.406 174.600 0.023 0.000 1.014 56 S CA 0.885 59.149 58.200 0.107 0.000 0.957 56 S CB 0.083 63.353 63.200 0.117 0.000 0.784 56 S HN 0.435 nan 8.310 nan 0.000 0.499 57 K N 1.232 121.625 120.400 -0.012 0.000 2.065 57 K HA 0.101 4.421 4.320 -0.000 0.000 0.211 57 K C 0.674 177.247 176.600 -0.045 0.000 1.025 57 K CA 0.301 56.575 56.287 -0.022 0.000 0.948 57 K CB -0.227 32.261 32.500 -0.021 0.000 0.798 57 K HN 0.063 nan 8.250 nan 0.000 0.450 58 N N 2.133 120.795 118.700 -0.063 0.000 2.469 58 N HA 0.001 4.741 4.740 -0.000 0.000 0.239 58 N C 0.607 176.030 175.510 -0.144 0.000 1.053 58 N CA -0.036 52.966 53.050 -0.079 0.000 0.937 58 N CB 1.011 39.466 38.487 -0.053 0.000 1.163 58 N HN 0.104 nan 8.380 nan 0.000 0.509 59 L N 4.192 125.286 121.223 -0.215 0.000 2.013 59 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 59 L C 1.224 177.869 176.870 -0.374 0.000 1.073 59 L CA 1.854 56.486 54.840 -0.346 0.000 0.753 59 L CB -0.483 41.270 42.059 -0.510 0.000 0.890 59 L HN 0.617 nan 8.230 nan 0.000 0.432 60 H N -1.044 117.987 119.070 -0.065 0.000 2.610 60 H HA 0.092 4.648 4.556 -0.000 0.000 0.302 60 H C 1.472 176.755 175.328 -0.075 0.000 1.063 60 H CA 0.390 56.398 56.048 -0.067 0.000 1.159 60 H CB 0.050 29.786 29.762 -0.045 0.000 1.427 60 H HN 0.434 nan 8.280 nan 0.000 0.553 61 E N 1.327 121.504 120.200 -0.038 0.000 2.160 61 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 61 E C 1.867 178.439 176.600 -0.047 0.000 0.991 61 E CA 0.604 56.975 56.400 -0.048 0.000 0.810 61 E CB -0.177 29.468 29.700 -0.091 0.000 0.742 61 E HN 0.461 nan 8.360 nan 0.000 0.466 62 L N 0.100 121.286 121.223 -0.063 0.000 2.201 62 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 62 L C 2.475 179.321 176.870 -0.040 0.000 1.105 62 L CA 1.097 55.903 54.840 -0.058 0.000 0.775 62 L CB -0.366 41.652 42.059 -0.069 0.000 0.913 62 L HN 0.218 nan 8.230 nan 0.000 0.440 63 Q N -0.232 119.556 119.800 -0.020 0.000 2.234 63 Q HA -0.169 4.171 4.340 -0.000 0.000 0.206 63 Q C 2.142 178.122 176.000 -0.034 0.000 0.980 63 Q CA 1.298 57.083 55.803 -0.031 0.000 0.869 63 Q CB -0.299 28.427 28.738 -0.021 0.000 0.912 63 Q HN 0.616 nan 8.270 nan 0.000 0.436 64 G N -0.016 108.771 108.800 -0.021 0.000 2.744 64 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.211 64 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.211 64 G C 1.127 176.016 174.900 -0.019 0.000 1.143 64 G CA 0.065 45.157 45.100 -0.013 0.000 0.788 64 G HN 0.198 nan 8.290 nan 0.000 0.534 65 L N 0.164 121.364 121.223 -0.037 0.000 2.567 65 L HA 0.199 4.539 4.340 -0.000 0.000 0.225 65 L C 0.491 177.312 176.870 -0.082 0.000 1.119 65 L CA -0.410 54.402 54.840 -0.046 0.000 0.871 65 L CB 0.211 42.240 42.059 -0.050 0.000 1.036 65 L HN 0.028 nan 8.230 nan 0.000 0.459 66 c N 1.523 120.066 118.600 -0.096 0.000 2.345 66 c HA 0.080 4.650 4.570 -0.000 0.000 0.349 66 c C 1.695 175.689 174.090 -0.159 0.000 1.130 66 c CA -0.756 55.478 56.329 -0.158 0.000 1.574 66 c CB -1.170 41.241 42.510 -0.165 0.000 2.108 66 c HN 0.456 nan 8.230 nan 0.000 0.516 67 N N 1.397 119.950 118.700 -0.245 0.000 2.104 67 N HA -0.075 4.665 4.740 -0.000 0.000 0.190 67 N C 0.180 175.568 175.510 -0.204 0.000 1.024 67 N CA 1.132 54.035 53.050 -0.244 0.000 0.853 67 N CB 0.070 38.219 38.487 -0.564 0.000 1.008 67 N HN 0.519 nan 8.380 nan 0.000 0.424 68 V N -0.114 119.625 119.914 -0.291 0.000 2.686 68 V HA 0.309 4.429 4.120 -0.000 0.000 0.306 68 V C -0.518 175.363 176.094 -0.355 0.000 1.065 68 V CA -1.050 61.154 62.300 -0.161 0.000 0.894 68 V CB 2.316 34.178 31.823 0.065 0.000 1.004 68 V HN -0.009 nan 8.190 nan 0.000 0.424 69 K N 3.484 123.709 120.400 -0.292 0.000 2.292 69 K HA 0.495 4.815 4.320 -0.000 0.000 0.257 69 K C -0.987 175.387 176.600 -0.376 0.000 0.940 69 K CA -0.632 55.416 56.287 -0.398 0.000 0.811 69 K CB 1.364 33.720 32.500 -0.241 0.000 1.120 69 K HN 0.693 nan 8.250 nan 0.000 0.428 70 N N 4.354 122.727 118.700 -0.546 0.000 2.623 70 N HA 0.156 4.896 4.740 -0.000 0.000 0.256 70 N C -1.624 173.716 175.510 -0.283 0.000 1.045 70 N CA -0.470 52.376 53.050 -0.340 0.000 0.863 70 N CB 0.986 39.303 38.487 -0.284 0.000 1.182 70 N HN 0.634 nan 8.380 nan 0.000 0.523 71 K N 2.112 122.405 120.400 -0.178 0.000 2.118 71 K HA 0.667 4.986 4.320 -0.000 0.000 0.254 71 K C -0.095 176.443 176.600 -0.104 0.000 0.961 71 K CA -0.796 55.403 56.287 -0.148 0.000 0.876 71 K CB 1.621 34.045 32.500 -0.127 0.000 1.077 71 K HN 0.399 nan 8.250 nan 0.000 0.440 72 M N -0.772 118.767 119.600 -0.103 0.000 2.378 72 M HA 0.441 4.920 4.480 -0.000 0.000 0.289 72 M C -0.675 175.566 176.300 -0.099 0.000 1.136 72 M CA -0.823 54.427 55.300 -0.083 0.000 0.917 72 M CB 2.135 34.693 32.600 -0.070 0.000 1.669 72 M HN 0.687 nan 8.290 nan 0.000 0.461 73 G N 1.796 110.542 108.800 -0.090 0.000 2.380 73 G HA2 0.494 4.454 3.960 -0.000 0.000 0.262 73 G HA3 0.494 4.454 3.960 -0.000 0.000 0.262 73 G C -1.014 173.818 174.900 -0.114 0.000 1.243 73 G CA -0.539 44.494 45.100 -0.111 0.000 0.865 73 G HN 0.808 nan 8.290 nan 0.000 0.513 74 V N 4.749 124.565 119.914 -0.163 0.000 2.638 74 V HA 0.650 4.770 4.120 -0.000 0.000 0.306 74 V C -2.475 173.494 176.094 -0.209 0.000 1.052 74 V CA -2.332 59.874 62.300 -0.156 0.000 0.885 74 V CB 2.781 34.512 31.823 -0.154 0.000 0.999 74 V HN 0.579 nan 8.190 nan 0.000 0.424 75 P HA 0.162 nan 4.420 nan 0.000 0.271 75 P C -0.936 176.328 177.300 -0.059 0.000 1.216 75 P CA 0.135 63.188 63.100 -0.078 0.000 0.776 75 P CB 0.325 32.022 31.700 -0.005 0.000 0.881 76 W N 1.924 123.207 121.300 -0.029 0.000 2.158 76 W HA 0.287 4.947 4.660 -0.000 0.000 0.339 76 W C -0.268 176.246 176.519 -0.009 0.000 1.294 76 W CA -0.051 57.277 57.345 -0.030 0.000 1.231 76 W CB 0.550 29.982 29.460 -0.047 0.000 1.143 76 W HN 0.044 nan 8.180 nan 0.000 0.571 77 V N 3.991 124.099 119.914 0.324 0.000 2.409 77 V HA 0.225 4.345 4.120 -0.000 0.000 0.290 77 V C -0.129 176.065 176.094 0.167 0.000 1.017 77 V CA -0.900 61.511 62.300 0.185 0.000 0.841 77 V CB 1.094 32.997 31.823 0.133 0.000 1.003 77 V HN 0.526 nan 8.190 nan 0.000 0.426 78 S N 3.432 119.194 115.700 0.104 0.000 2.632 78 S HA 0.653 5.123 4.470 -0.000 0.000 0.271 78 S C -0.090 174.539 174.600 0.049 0.000 1.260 78 S CA -0.553 57.680 58.200 0.055 0.000 1.010 78 S CB 1.857 65.061 63.200 0.007 0.000 0.965 78 S HN 0.487 nan 8.310 nan 0.000 0.534 79 V N 2.467 122.403 119.914 0.037 0.000 2.564 79 V HA 0.190 4.310 4.120 -0.000 0.000 0.259 79 V C 1.059 177.163 176.094 0.017 0.000 0.936 79 V CA -0.439 61.880 62.300 0.033 0.000 0.867 79 V CB 0.873 32.724 31.823 0.047 0.000 1.076 79 V HN 0.882 nan 8.190 nan 0.000 0.476 80 E N 1.529 121.731 120.200 0.005 0.000 2.136 80 E HA -0.283 4.066 4.350 -0.000 0.000 0.202 80 E C 1.661 178.259 176.600 -0.002 0.000 1.019 80 E CA 2.146 58.543 56.400 -0.006 0.000 0.819 80 E CB 0.371 30.065 29.700 -0.010 0.000 0.739 80 E HN 0.830 nan 8.360 nan 0.000 0.458 81 E N 0.041 120.243 120.200 0.003 0.000 2.160 81 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 81 E C 1.837 178.440 176.600 0.005 0.000 0.991 81 E CA 0.840 57.241 56.400 0.002 0.000 0.810 81 E CB -0.061 29.642 29.700 0.004 0.000 0.742 81 E HN 0.263 nan 8.360 nan 0.000 0.466 82 L N -1.128 120.102 121.223 0.013 0.000 2.693 82 L HA 0.310 4.649 4.340 -0.000 0.000 0.235 82 L C 1.039 177.923 176.870 0.024 0.000 1.127 82 L CA 0.103 54.954 54.840 0.019 0.000 0.914 82 L CB 0.228 42.304 42.059 0.028 0.000 1.193 82 L HN 0.298 nan 8.230 nan 0.000 0.502 83 G N 0.732 109.540 108.800 0.013 0.000 2.203 83 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.263 83 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.263 83 G C 0.169 175.083 174.900 0.024 0.000 1.012 83 G CA 0.150 45.253 45.100 0.005 0.000 0.749 83 G HN 0.487 nan 8.290 nan 0.000 0.512 84 Q N -0.256 119.571 119.800 0.045 0.000 2.230 84 Q HA 0.551 4.891 4.340 -0.000 0.000 0.248 84 Q C -0.486 175.558 176.000 0.073 0.000 0.915 84 Q CA -0.357 55.497 55.803 0.086 0.000 0.900 84 Q CB 1.242 30.044 28.738 0.107 0.000 1.229 84 Q HN 0.274 nan 8.270 nan 0.000 0.439 85 E N 2.750 123.025 120.200 0.125 0.000 2.402 85 E HA 0.359 4.708 4.350 -0.000 0.000 0.244 85 E C -0.773 176.114 176.600 0.478 0.000 0.945 85 E CA -0.207 56.267 56.400 0.124 0.000 0.774 85 E CB 1.047 30.551 29.700 -0.328 0.000 1.296 85 E HN 0.501 nan 8.360 nan 0.000 0.414 86 I N 3.295 124.123 120.570 0.429 0.000 2.498 86 I HA 0.483 4.652 4.170 -0.000 0.000 0.301 86 I C 0.616 176.925 176.117 0.320 0.000 0.984 86 I CA -1.170 60.368 61.300 0.397 0.000 1.204 86 I CB 1.225 39.361 38.000 0.226 0.000 1.362 86 I HN 0.338 nan 8.210 nan 0.000 0.471 87 I N 1.542 122.225 120.570 0.190 0.000 2.478 87 I HA 0.634 4.804 4.170 -0.000 0.000 0.287 87 I C -0.655 175.473 176.117 0.019 0.000 1.042 87 I CA -0.261 61.019 61.300 -0.032 0.000 1.067 87 I CB 2.053 39.864 38.000 -0.315 0.000 1.233 87 I HN 0.517 nan 8.210 nan 0.000 0.431 88 T N 3.501 118.055 114.554 0.001 0.000 2.900 88 T HA 0.906 5.255 4.350 -0.000 0.000 0.295 88 T C -0.487 174.210 174.700 -0.005 0.000 1.044 88 T CA -0.352 61.755 62.100 0.012 0.000 0.995 88 T CB 1.777 70.664 68.868 0.032 0.000 1.072 88 T HN 1.209 nan 8.240 nan 0.000 0.473 89 G N 2.616 111.419 108.800 0.004 0.000 2.667 89 G HA2 0.506 4.466 3.960 -0.000 0.000 0.294 89 G HA3 0.506 4.466 3.960 -0.000 0.000 0.294 89 G C -1.644 173.272 174.900 0.026 0.000 1.467 89 G CA -0.924 44.177 45.100 0.002 0.000 0.852 89 G HN 0.778 nan 8.290 nan 0.000 0.521 90 R N 1.338 121.859 120.500 0.034 0.000 2.204 90 R HA 0.325 4.665 4.340 -0.000 0.000 0.341 90 R C 0.240 176.544 176.300 0.007 0.000 1.035 90 R CA -0.538 55.606 56.100 0.073 0.000 0.887 90 R CB 1.137 31.493 30.300 0.093 0.000 1.114 90 R HN 0.389 nan 8.270 nan 0.000 0.473 91 L N 5.170 126.342 121.223 -0.086 0.000 2.483 91 L HA 0.093 4.433 4.340 -0.000 0.000 0.276 91 L C -1.430 175.243 176.870 -0.329 0.000 1.213 91 L CA -1.328 53.341 54.840 -0.285 0.000 0.843 91 L CB 0.275 41.979 42.059 -0.593 0.000 1.107 91 L HN 0.327 nan 8.230 nan 0.000 0.487 92 P HA 0.098 nan 4.420 nan 0.000 0.225 92 P C -0.541 176.642 177.300 -0.194 0.000 1.830 92 P CA -0.422 62.647 63.100 -0.052 0.000 1.051 92 P CB -0.324 31.402 31.700 0.045 0.000 1.929 93 F N 3.907 123.783 119.950 -0.123 0.000 2.623 93 F HA -0.045 4.481 4.527 -0.000 0.000 0.386 93 F C -0.238 175.252 175.800 -0.517 0.000 1.068 93 F CA -0.911 56.821 58.000 -0.447 0.000 1.265 93 F CB -0.394 38.502 39.000 -0.174 0.000 1.026 93 F HN 0.259 nan 8.300 nan 0.000 0.568 94 P HA -0.090 nan 4.420 nan 0.000 0.217 94 P C 0.289 177.397 177.300 -0.321 0.000 1.151 94 P CA 0.998 63.750 63.100 -0.580 0.000 0.828 94 P CB 0.548 31.689 31.700 -0.932 0.000 0.788 95 S N -1.800 113.731 115.700 -0.282 0.000 2.685 95 S HA 0.400 4.870 4.470 -0.000 0.000 0.282 95 S C -1.017 173.640 174.600 0.095 0.000 1.159 95 S CA -0.780 57.378 58.200 -0.070 0.000 0.833 95 S CB 1.266 64.435 63.200 -0.053 0.000 1.151 95 S HN -0.215 nan 8.310 nan 0.000 0.485 96 V N 3.400 123.406 119.914 0.153 0.000 2.540 96 V HA 0.200 4.320 4.120 -0.000 0.000 0.297 96 V C 1.951 178.171 176.094 0.211 0.000 1.024 96 V CA 1.058 63.447 62.300 0.148 0.000 1.105 96 V CB 0.385 32.253 31.823 0.074 0.000 0.938 96 V HN 1.097 nan 8.190 nan 0.000 0.482 97 G N 3.531 112.384 108.800 0.088 0.000 2.491 97 G HA2 0.282 4.242 3.960 -0.000 0.000 0.218 97 G HA3 0.282 4.242 3.960 -0.000 0.000 0.218 97 G C 0.634 175.557 174.900 0.038 0.000 1.180 97 G CA 0.936 46.052 45.100 0.026 0.000 0.774 97 G HN 1.369 nan 8.290 nan 0.000 0.562 98 G N -2.956 105.846 108.800 0.005 0.000 2.317 98 G HA2 0.428 4.388 3.960 -0.000 0.000 0.293 98 G HA3 0.428 4.388 3.960 -0.000 0.000 0.293 98 G C -1.192 173.676 174.900 -0.054 0.000 1.287 98 G CA 0.081 45.169 45.100 -0.021 0.000 0.850 98 G HN 0.279 nan 8.290 nan 0.000 0.515 99 T N 0.795 115.320 114.554 -0.049 0.000 2.952 99 T HA 0.585 4.935 4.350 -0.000 0.000 0.286 99 T C -1.542 173.110 174.700 -0.081 0.000 1.024 99 T CA -1.104 60.977 62.100 -0.031 0.000 1.029 99 T CB 2.112 71.010 68.868 0.050 0.000 1.094 99 T HN 0.170 nan 8.240 nan 0.000 0.515 100 P HA -0.045 nan 4.420 nan 0.000 0.219 100 P C 1.362 178.605 177.300 -0.094 0.000 1.146 100 P CA 0.536 63.568 63.100 -0.114 0.000 0.808 100 P CB 0.099 31.740 31.700 -0.098 0.000 0.779 101 V N -1.226 118.642 119.914 -0.076 0.000 2.515 101 V HA -0.158 3.962 4.120 -0.000 0.000 0.250 101 V C 0.979 177.026 176.094 -0.080 0.000 1.058 101 V CA 1.065 63.323 62.300 -0.070 0.000 1.064 101 V CB -1.356 30.429 31.823 -0.064 0.000 0.675 101 V HN 0.176 nan 8.190 nan 0.000 0.461 102 N N 0.658 119.301 118.700 -0.095 0.000 2.237 102 N HA -0.022 4.718 4.740 -0.000 0.000 0.222 102 N C 0.268 175.723 175.510 -0.092 0.000 1.311 102 N CA 0.417 53.400 53.050 -0.112 0.000 0.880 102 N CB 0.151 38.565 38.487 -0.121 0.000 1.106 102 N HN 0.305 nan 8.380 nan 0.000 0.435 103 D N -0.465 119.884 120.400 -0.085 0.000 2.360 103 D HA 0.321 4.961 4.640 -0.000 0.000 0.289 103 D C -0.003 176.255 176.300 -0.071 0.000 1.183 103 D CA 0.052 54.014 54.000 -0.064 0.000 1.082 103 D CB 0.125 40.896 40.800 -0.047 0.000 1.146 103 D HN 0.101 nan 8.370 nan 0.000 0.545 104 L N -0.210 120.978 121.223 -0.059 0.000 2.304 104 L HA 0.536 4.876 4.340 -0.000 0.000 0.268 104 L C -0.170 176.649 176.870 -0.086 0.000 1.010 104 L CA -0.974 53.825 54.840 -0.068 0.000 0.813 104 L CB 1.259 43.294 42.059 -0.041 0.000 1.315 104 L HN 0.023 nan 8.230 nan 0.000 0.445 105 V N 1.057 120.903 119.914 -0.112 0.000 2.540 105 V HA 0.588 4.708 4.120 -0.000 0.000 0.302 105 V C -0.553 175.477 176.094 -0.107 0.000 1.035 105 V CA -0.649 61.571 62.300 -0.133 0.000 0.873 105 V CB 1.687 33.383 31.823 -0.212 0.000 0.992 105 V HN 0.799 nan 8.190 nan 0.000 0.428 106 R N 4.864 125.318 120.500 -0.077 0.000 2.297 106 R HA 0.709 5.049 4.340 -0.000 0.000 0.308 106 R C -0.752 175.517 176.300 -0.052 0.000 1.029 106 R CA -0.218 55.854 56.100 -0.047 0.000 0.929 106 R CB 1.532 31.824 30.300 -0.015 0.000 1.046 106 R HN 0.846 nan 8.270 nan 0.000 0.461 107 V N 2.261 122.152 119.914 -0.038 0.000 2.919 107 V HA 0.628 4.748 4.120 -0.000 0.000 0.316 107 V C -1.150 174.959 176.094 0.025 0.000 1.077 107 V CA -1.156 61.131 62.300 -0.021 0.000 0.977 107 V CB 1.825 33.631 31.823 -0.029 0.000 1.039 107 V HN 0.596 nan 8.190 nan 0.000 0.441 108 L N 3.303 124.549 121.223 0.037 0.000 2.325 108 L HA 0.672 5.012 4.340 -0.000 0.000 0.281 108 L C -0.346 176.588 176.870 0.107 0.000 1.004 108 L CA -0.099 54.788 54.840 0.077 0.000 0.823 108 L CB 1.825 43.912 42.059 0.046 0.000 1.236 108 L HN 0.683 nan 8.230 nan 0.000 0.415 109 V N 5.373 125.402 119.914 0.192 0.000 2.347 109 V HA 0.530 4.649 4.120 -0.000 0.000 0.280 109 V C -0.188 176.136 176.094 0.384 0.000 1.021 109 V CA -0.650 61.781 62.300 0.219 0.000 0.847 109 V CB 1.739 33.645 31.823 0.138 0.000 0.990 109 V HN 0.440 nan 8.190 nan 0.000 0.444 110 V N 3.688 123.764 119.914 0.270 0.000 2.667 110 V HA 0.898 5.018 4.120 -0.000 0.000 0.308 110 V C 0.225 176.535 176.094 0.360 0.000 1.048 110 V CA -0.544 61.933 62.300 0.295 0.000 0.928 110 V CB 1.914 33.831 31.823 0.156 0.000 1.004 110 V HN 0.959 nan 8.190 nan 0.000 0.444 111 A N 3.844 126.930 122.820 0.442 0.000 2.385 111 A HA 0.829 5.149 4.320 -0.000 0.000 0.290 111 A C -0.504 177.400 177.584 0.533 0.000 1.094 111 A CA -0.536 51.819 52.037 0.530 0.000 0.729 111 A CB 1.085 20.462 19.000 0.627 0.000 1.194 111 A HN 0.967 nan 8.150 nan 0.000 0.442 112 E N 0.851 121.296 120.200 0.408 0.000 2.446 112 E HA 0.862 5.212 4.350 -0.000 0.000 0.269 112 E C -0.529 176.087 176.600 0.026 0.000 0.977 112 E CA -0.540 55.898 56.400 0.064 0.000 0.854 112 E CB 1.838 31.560 29.700 0.037 0.000 1.545 112 E HN 1.091 nan 8.360 nan 0.000 0.448 113 S N -0.290 115.281 115.700 -0.215 0.000 2.636 113 S HA 0.374 4.844 4.470 -0.000 0.000 0.266 113 S C -1.096 173.393 174.600 -0.185 0.000 1.147 113 S CA -1.144 56.995 58.200 -0.100 0.000 0.815 113 S CB 0.561 63.759 63.200 -0.003 0.000 1.119 113 S HN 0.506 nan 8.310 nan 0.000 0.470 114 N N 1.084 119.705 118.700 -0.132 0.000 2.444 114 N HA 0.255 4.995 4.740 -0.000 0.000 0.255 114 N C -0.530 174.737 175.510 -0.405 0.000 1.255 114 N CA 0.156 53.103 53.050 -0.172 0.000 0.933 114 N CB 0.326 38.758 38.487 -0.092 0.000 1.143 114 N HN 0.700 nan 8.380 nan 0.000 0.453 115 T N 3.568 117.906 114.554 -0.360 0.000 2.782 115 T HA 0.202 4.552 4.350 -0.000 0.000 0.298 115 T C -1.921 172.577 174.700 -0.336 0.000 0.944 115 T CA -0.954 60.824 62.100 -0.537 0.000 1.001 115 T CB 0.232 69.002 68.868 -0.164 0.000 0.932 115 T HN 0.354 nan 8.240 nan 0.000 0.524 116 P HA 0.047 nan 4.420 nan 0.000 0.266 116 P C 0.916 178.194 177.300 -0.036 0.000 1.195 116 P CA -0.129 62.907 63.100 -0.107 0.000 0.768 116 P CB 0.943 32.645 31.700 0.005 0.000 0.838 117 E N 1.713 121.909 120.200 -0.006 0.000 2.209 117 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 117 E C -0.149 176.471 176.600 0.034 0.000 0.993 117 E CA 1.058 57.465 56.400 0.013 0.000 0.819 117 E CB -0.028 29.680 29.700 0.013 0.000 0.745 117 E HN 0.577 nan 8.360 nan 0.000 0.477 118 E N 0.910 121.140 120.200 0.050 0.000 2.222 118 E HA 0.222 4.572 4.350 -0.000 0.000 0.267 118 E C -1.146 175.517 176.600 0.105 0.000 0.884 118 E CA -0.740 55.700 56.400 0.067 0.000 0.764 118 E CB 1.948 31.681 29.700 0.055 0.000 1.169 118 E HN -0.078 nan 8.360 nan 0.000 0.413 119 T N 5.144 119.766 114.554 0.113 0.000 2.822 119 T HA 0.036 4.386 4.350 -0.000 0.000 0.288 119 T C -1.565 173.235 174.700 0.168 0.000 0.991 119 T CA -0.630 61.562 62.100 0.153 0.000 1.176 119 T CB -0.257 68.679 68.868 0.114 0.000 0.951 119 T HN 0.323 nan 8.240 nan 0.000 0.526 120 P HA 0.291 nan 4.420 nan 0.000 0.277 120 P C 0.840 178.269 177.300 0.214 0.000 1.271 120 P CA -0.485 62.773 63.100 0.265 0.000 0.795 120 P CB 1.109 33.100 31.700 0.484 0.000 1.101 121 E N 0.488 120.789 120.200 0.168 0.000 1.998 121 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 121 E C 0.578 177.276 176.600 0.163 0.000 0.994 121 E CA 1.391 57.864 56.400 0.121 0.000 0.835 121 E CB -0.463 29.277 29.700 0.068 0.000 0.786 121 E HN 0.466 nan 8.360 nan 0.000 0.467 122 E N 0.200 120.522 120.200 0.203 0.000 2.421 122 E HA 0.105 4.454 4.350 -0.000 0.000 0.253 122 E C -0.033 176.801 176.600 0.390 0.000 1.277 122 E CA 0.066 56.620 56.400 0.257 0.000 0.968 122 E CB 0.467 30.328 29.700 0.269 0.000 1.040 122 E HN 0.400 nan 8.360 nan 0.000 0.512 123 E N 0.054 120.455 120.200 0.336 0.000 2.249 123 E HA 0.284 4.633 4.350 -0.000 0.000 0.263 123 E C -0.845 175.973 176.600 0.363 0.000 0.950 123 E CA -0.814 55.735 56.400 0.249 0.000 0.827 123 E CB 0.690 30.441 29.700 0.085 0.000 1.220 123 E HN 0.271 nan 8.360 nan 0.000 0.411 124 F N 2.419 122.291 119.950 -0.130 0.000 2.572 124 F HA 0.236 4.763 4.527 -0.000 0.000 0.370 124 F C -0.957 174.931 175.800 0.146 0.000 1.103 124 F CA 0.267 58.131 58.000 -0.227 0.000 1.286 124 F CB 0.242 38.958 39.000 -0.473 0.000 1.105 124 F HN 0.503 nan 8.300 nan 0.000 0.583 125 Y N 4.460 124.436 120.300 -0.540 0.000 2.519 125 Y HA 0.653 5.203 4.550 -0.000 0.000 0.336 125 Y C -1.972 173.593 175.900 -0.557 0.000 1.089 125 Y CA -1.253 56.603 58.100 -0.407 0.000 1.025 125 Y CB 1.290 39.716 38.460 -0.057 0.000 1.318 125 Y HN 0.873 nan 8.280 nan 0.000 0.452 126 A N 4.888 126.933 122.820 -1.292 0.000 2.500 126 A HA 0.491 4.811 4.320 -0.000 0.000 0.291 126 A C -2.701 174.410 177.584 -0.788 0.000 1.048 126 A CA -0.516 50.703 52.037 -1.364 0.000 0.791 126 A CB 0.363 18.491 19.000 -1.454 0.000 1.309 126 A HN 0.796 nan 8.150 nan 0.000 0.397 127 Y N 2.636 122.427 120.300 -0.848 0.000 2.313 127 Y HA 0.612 5.162 4.550 -0.000 0.000 0.332 127 Y C -0.742 174.888 175.900 -0.450 0.000 1.071 127 Y CA -0.593 57.249 58.100 -0.430 0.000 1.169 127 Y CB 1.407 39.751 38.460 -0.195 0.000 1.192 127 Y HN 0.514 nan 8.280 nan 0.000 0.487 128 V N 7.214 126.403 119.914 -1.208 0.000 2.531 128 V HA 0.355 4.474 4.120 -0.000 0.000 0.301 128 V C -0.963 174.537 176.094 -0.989 0.000 1.034 128 V CA -0.864 60.860 62.300 -0.961 0.000 0.865 128 V CB 1.612 32.891 31.823 -0.907 0.000 0.995 128 V HN 0.795 nan 8.190 nan 0.000 0.424 129 E N 5.703 125.536 120.200 -0.612 0.000 2.256 129 E HA 0.724 5.074 4.350 -0.000 0.000 0.267 129 E C -1.584 174.914 176.600 -0.170 0.000 0.892 129 E CA -0.995 55.172 56.400 -0.389 0.000 0.775 129 E CB 2.831 32.375 29.700 -0.261 0.000 1.207 129 E HN 0.475 nan 8.360 nan 0.000 0.420 130 L N 2.783 123.972 121.223 -0.057 0.000 2.295 130 L HA 0.274 4.614 4.340 -0.000 0.000 0.281 130 L C -0.423 176.517 176.870 0.116 0.000 1.018 130 L CA -0.665 54.195 54.840 0.034 0.000 0.841 130 L CB 1.230 43.305 42.059 0.027 0.000 1.218 130 L HN 0.608 nan 8.230 nan 0.000 0.424 131 Q N 1.883 121.727 119.800 0.074 0.000 2.316 131 Q HA 0.624 4.964 4.340 -0.000 0.000 0.264 131 Q C -0.339 175.708 176.000 0.079 0.000 0.987 131 Q CA -0.777 55.064 55.803 0.063 0.000 0.852 131 Q CB 2.271 31.012 28.738 0.005 0.000 1.287 131 Q HN 0.557 nan 8.270 nan 0.000 0.448 132 T N -1.575 113.026 114.554 0.077 0.000 2.922 132 T HA 0.254 4.604 4.350 -0.000 0.000 0.281 132 T C 0.810 175.548 174.700 0.064 0.000 1.005 132 T CA -0.508 61.645 62.100 0.088 0.000 0.982 132 T CB 1.469 70.399 68.868 0.104 0.000 1.158 132 T HN 0.777 nan 8.240 nan 0.000 0.566 133 E N -0.384 119.874 120.200 0.097 0.000 2.049 133 E HA -0.121 4.228 4.350 -0.000 0.000 0.198 133 E C 1.865 178.502 176.600 0.061 0.000 1.007 133 E CA 1.524 57.972 56.400 0.080 0.000 0.809 133 E CB -0.187 29.574 29.700 0.101 0.000 0.749 133 E HN 0.605 nan 8.360 nan 0.000 0.450 134 L N -1.346 119.934 121.223 0.094 0.000 2.253 134 L HA 0.060 4.399 4.340 -0.000 0.000 0.205 134 L C 0.735 177.625 176.870 0.033 0.000 1.078 134 L CA 0.163 55.051 54.840 0.080 0.000 0.805 134 L CB 0.261 42.409 42.059 0.148 0.000 0.963 134 L HN 0.121 nan 8.230 nan 0.000 0.459 135 Y N -0.704 119.479 120.300 -0.195 0.000 2.524 135 Y HA 0.373 4.923 4.550 -0.000 0.000 0.344 135 Y C -0.591 175.079 175.900 -0.383 0.000 1.012 135 Y CA -0.873 57.001 58.100 -0.378 0.000 1.068 135 Y CB 2.000 40.057 38.460 -0.671 0.000 1.249 135 Y HN -0.330 nan 8.280 nan 0.000 0.468 136 T N 6.447 120.491 114.554 -0.850 0.000 2.842 136 T HA 0.352 4.702 4.350 -0.000 0.000 0.308 136 T C -1.240 173.168 174.700 -0.487 0.000 1.041 136 T CA -0.364 61.473 62.100 -0.438 0.000 0.964 136 T CB -0.406 68.280 68.868 -0.304 0.000 0.972 136 T HN 0.325 nan 8.240 nan 0.000 0.460 137 F N 2.616 122.552 119.950 -0.023 0.000 2.439 137 F HA 0.450 4.977 4.527 -0.000 0.000 0.356 137 F C 1.351 177.116 175.800 -0.059 0.000 1.161 137 F CA -0.712 57.341 58.000 0.088 0.000 1.151 137 F CB 0.384 39.424 39.000 0.067 0.000 1.222 137 F HN 0.558 nan 8.300 nan 0.000 0.558 138 G N 4.289 113.130 108.800 0.069 0.000 2.372 138 G HA2 0.442 4.401 3.960 -0.000 0.000 0.283 138 G HA3 0.442 4.401 3.960 -0.000 0.000 0.283 138 G C -0.536 174.327 174.900 -0.062 0.000 1.177 138 G CA -0.659 44.424 45.100 -0.027 0.000 0.842 138 G HN 0.395 nan 8.290 nan 0.000 0.503 139 L N 3.456 124.464 121.223 -0.358 0.000 2.328 139 L HA 0.222 4.562 4.340 -0.000 0.000 0.280 139 L C 1.182 177.913 176.870 -0.232 0.000 1.111 139 L CA -0.135 54.459 54.840 -0.409 0.000 0.909 139 L CB -0.419 41.058 42.059 -0.971 0.000 1.277 139 L HN 0.668 nan 8.230 nan 0.000 0.433 140 S N 0.857 116.637 115.700 0.133 0.000 2.686 140 S HA 0.257 4.726 4.470 -0.000 0.000 0.270 140 S C 0.844 175.678 174.600 0.391 0.000 1.194 140 S CA -0.703 57.670 58.200 0.290 0.000 0.990 140 S CB 1.306 64.635 63.200 0.215 0.000 1.029 140 S HN 0.501 nan 8.310 nan 0.000 0.560 141 D N 0.755 121.344 120.400 0.314 0.000 2.221 141 D HA -0.072 4.568 4.640 -0.000 0.000 0.204 141 D C 0.903 177.314 176.300 0.186 0.000 0.982 141 D CA 1.369 55.516 54.000 0.244 0.000 0.857 141 D CB -0.649 40.243 40.800 0.153 0.000 0.934 141 D HN 0.658 nan 8.370 nan 0.000 0.475 142 D N -0.389 120.115 120.400 0.173 0.000 2.371 142 D HA -0.041 4.598 4.640 -0.000 0.000 0.221 142 D C 0.978 177.374 176.300 0.160 0.000 0.986 142 D CA 0.515 54.595 54.000 0.134 0.000 0.899 142 D CB -0.230 40.638 40.800 0.113 0.000 0.902 142 D HN 0.265 nan 8.370 nan 0.000 0.530 143 N N -0.802 118.047 118.700 0.249 0.000 2.294 143 N HA 0.059 4.799 4.740 -0.000 0.000 0.186 143 N C -0.348 175.335 175.510 0.288 0.000 1.107 143 N CA -0.063 53.161 53.050 0.290 0.000 0.884 143 N CB 0.883 39.582 38.487 0.353 0.000 1.030 143 N HN -0.095 nan 8.380 nan 0.000 0.482 144 V N 2.038 122.073 119.914 0.201 0.000 2.557 144 V HA -0.015 4.105 4.120 -0.000 0.000 0.301 144 V C 1.273 177.346 176.094 -0.034 0.000 1.026 144 V CA 0.261 62.498 62.300 -0.106 0.000 1.137 144 V CB 0.813 32.516 31.823 -0.199 0.000 0.917 144 V HN 0.188 nan 8.190 nan 0.000 0.484 145 V N 1.794 121.689 119.914 -0.032 0.000 3.346 145 V HA 0.591 4.711 4.120 -0.000 0.000 0.309 145 V C -0.213 175.962 176.094 0.134 0.000 1.457 145 V CA -0.086 62.244 62.300 0.050 0.000 1.069 145 V CB -0.285 31.585 31.823 0.079 0.000 0.944 145 V HN 0.617 nan 8.190 nan 0.000 0.449 146 F N 0.582 120.437 119.950 -0.159 0.000 2.804 146 F HA 0.595 5.122 4.527 -0.000 0.000 0.320 146 F C -0.843 174.831 175.800 -0.210 0.000 1.135 146 F CA 0.441 58.351 58.000 -0.149 0.000 0.947 146 F CB 1.351 40.283 39.000 -0.114 0.000 1.260 146 F HN 0.207 nan 8.300 nan 0.000 0.447 147 T N 0.363 114.361 114.554 -0.927 0.000 2.853 147 T HA 0.925 5.275 4.350 -0.000 0.000 0.311 147 T C -1.298 173.007 174.700 -0.657 0.000 1.307 147 T CA -0.614 61.156 62.100 -0.550 0.000 1.019 147 T CB 1.875 70.514 68.868 -0.381 0.000 1.264 147 T HN 0.776 nan 8.240 nan 0.000 0.497 148 S N -0.003 115.529 115.700 -0.281 0.000 2.656 148 S HA 0.450 4.920 4.470 -0.000 0.000 0.273 148 S C -0.039 174.432 174.600 -0.216 0.000 1.168 148 S CA -0.863 57.218 58.200 -0.198 0.000 0.817 148 S CB 1.565 64.759 63.200 -0.009 0.000 1.146 148 S HN 0.764 nan 8.310 nan 0.000 0.475 149 D N -0.135 120.108 120.400 -0.261 0.000 2.182 149 D HA -0.046 4.593 4.640 -0.000 0.000 0.201 149 D C -0.226 175.479 176.300 -0.991 0.000 0.986 149 D CA 1.784 55.460 54.000 -0.540 0.000 0.847 149 D CB -0.057 40.459 40.800 -0.473 0.000 0.942 149 D HN 0.521 nan 8.370 nan 0.000 0.467 150 Y N -0.925 119.205 120.300 -0.283 0.000 2.685 150 Y HA 0.421 4.971 4.550 -0.000 0.000 0.284 150 Y C -0.175 175.291 175.900 -0.725 0.000 0.944 150 Y CA -0.563 57.107 58.100 -0.717 0.000 1.107 150 Y CB 0.531 38.627 38.460 -0.607 0.000 1.188 150 Y HN -0.227 nan 8.280 nan 0.000 0.635 151 M N 0.421 119.878 119.600 -0.238 0.000 2.449 151 M HA 0.573 5.053 4.480 -0.000 0.000 0.291 151 M C -1.956 174.404 176.300 0.101 0.000 1.148 151 M CA 0.078 55.376 55.300 -0.003 0.000 0.925 151 M CB 1.801 34.432 32.600 0.051 0.000 1.767 151 M HN 0.039 nan 8.290 nan 0.000 0.503 152 T N 2.865 117.473 114.554 0.090 0.000 2.933 152 T HA 0.720 5.070 4.350 -0.000 0.000 0.305 152 T C -1.559 172.931 174.700 -0.350 0.000 1.092 152 T CA -0.581 61.358 62.100 -0.268 0.000 1.008 152 T CB 2.153 70.658 68.868 -0.606 0.000 1.102 152 T HN 0.472 nan 8.240 nan 0.000 0.469 153 V N 2.877 122.565 119.914 -0.377 0.000 2.577 153 V HA 0.557 4.677 4.120 -0.000 0.000 0.303 153 V C -0.772 175.209 176.094 -0.188 0.000 1.042 153 V CA -0.910 61.319 62.300 -0.119 0.000 0.872 153 V CB 1.739 33.589 31.823 0.045 0.000 0.998 153 V HN 0.784 nan 8.190 nan 0.000 0.423 154 W N 4.094 125.433 121.300 0.066 0.000 2.758 154 W HA 0.779 5.438 4.660 -0.000 0.000 0.355 154 W C -0.130 176.413 176.519 0.041 0.000 1.223 154 W CA -0.777 56.599 57.345 0.052 0.000 1.182 154 W CB 1.968 31.445 29.460 0.030 0.000 1.464 154 W HN 0.455 nan 8.180 nan 0.000 0.630 155 M N 2.130 121.914 119.600 0.307 0.000 2.413 155 M HA 0.644 5.124 4.480 -0.000 0.000 0.287 155 M C -2.245 174.140 176.300 0.141 0.000 1.186 155 M CA -0.449 54.954 55.300 0.170 0.000 0.927 155 M CB 2.962 35.636 32.600 0.124 0.000 1.715 155 M HN 0.526 nan 8.290 nan 0.000 0.478 156 I N 2.503 123.122 120.570 0.083 0.000 2.800 156 I HA 0.341 4.510 4.170 -0.000 0.000 0.294 156 I C -1.904 174.217 176.117 0.006 0.000 1.538 156 I CA -0.496 60.842 61.300 0.062 0.000 1.010 156 I CB 2.337 40.380 38.000 0.071 0.000 1.381 156 I HN 0.700 nan 8.210 nan 0.000 0.462 157 D N 7.602 128.009 120.400 0.011 0.000 2.177 157 D HA 0.636 5.275 4.640 -0.000 0.000 0.247 157 D C -0.683 175.579 176.300 -0.062 0.000 1.063 157 D CA 0.164 54.150 54.000 -0.024 0.000 0.867 157 D CB 2.244 43.047 40.800 0.005 0.000 1.168 157 D HN 0.322 nan 8.370 nan 0.000 0.445 158 I N 1.728 122.215 120.570 -0.138 0.000 2.769 158 I HA 0.228 4.398 4.170 -0.000 0.000 0.298 158 I C -2.566 173.489 176.117 -0.102 0.000 1.128 158 I CA -2.430 58.729 61.300 -0.235 0.000 1.031 158 I CB 2.918 40.582 38.000 -0.559 0.000 1.235 158 I HN -0.090 nan 8.210 nan 0.000 0.423 159 P HA 0.130 nan 4.420 nan 0.000 0.267 159 P C 0.100 177.343 177.300 -0.095 0.000 1.205 159 P CA -0.124 62.956 63.100 -0.033 0.000 0.765 159 P CB 0.630 32.296 31.700 -0.056 0.000 0.828 160 K N 1.792 122.114 120.400 -0.130 0.000 2.059 160 K HA -0.212 4.107 4.320 -0.000 0.000 0.212 160 K C 1.969 178.480 176.600 -0.149 0.000 1.050 160 K CA 2.444 58.638 56.287 -0.155 0.000 0.927 160 K CB -0.590 31.821 32.500 -0.148 0.000 0.714 160 K HN 0.560 nan 8.250 nan 0.000 0.447 161 S N 0.151 115.754 115.700 -0.162 0.000 2.440 161 S HA -0.190 4.280 4.470 -0.000 0.000 0.238 161 S C 1.781 176.299 174.600 -0.136 0.000 1.010 161 S CA 1.092 59.194 58.200 -0.163 0.000 0.972 161 S CB -0.519 62.560 63.200 -0.201 0.000 0.774 161 S HN 0.244 nan 8.310 nan 0.000 0.501 162 Y N 1.701 121.931 120.300 -0.115 0.000 2.439 162 Y HA 0.231 4.781 4.550 -0.000 0.000 0.292 162 Y C 1.149 176.906 175.900 -0.238 0.000 1.130 162 Y CA -0.509 57.526 58.100 -0.109 0.000 1.254 162 Y CB -0.288 38.131 38.460 -0.068 0.000 1.000 162 Y HN 0.114 nan 8.280 nan 0.000 0.554 163 V N 2.051 121.861 119.914 -0.173 0.000 2.223 163 V HA 0.198 4.317 4.120 -0.000 0.000 0.249 163 V C -0.308 175.358 176.094 -0.715 0.000 1.233 163 V CA 0.009 62.044 62.300 -0.442 0.000 1.131 163 V CB -0.391 31.239 31.823 -0.322 0.000 1.298 163 V HN 0.144 nan 8.190 nan 0.000 0.498 164 D N 1.828 121.669 120.400 -0.932 0.000 2.792 164 D HA 0.242 4.882 4.640 -0.000 0.000 0.335 164 D C -0.623 175.388 176.300 -0.481 0.000 1.353 164 D CA -0.460 53.093 54.000 -0.744 0.000 0.839 164 D CB 2.434 43.099 40.800 -0.225 0.000 1.396 164 D HN 0.030 nan 8.370 nan 0.000 0.479 165 V N 0.882 120.803 119.914 0.012 0.000 2.644 165 V HA 0.409 4.529 4.120 -0.000 0.000 0.305 165 V C 1.670 177.818 176.094 0.090 0.000 1.053 165 V CA 1.993 64.406 62.300 0.187 0.000 1.186 165 V CB 0.422 32.332 31.823 0.145 0.000 0.895 165 V HN 0.932 nan 8.190 nan 0.000 0.490 166 G N 4.031 112.909 108.800 0.130 0.000 2.428 166 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.199 166 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.199 166 G C 0.184 175.150 174.900 0.109 0.000 1.005 166 G CA 0.095 45.256 45.100 0.102 0.000 0.671 166 G HN 0.666 nan 8.290 nan 0.000 0.485 167 M N 2.285 121.951 119.600 0.110 0.000 2.105 167 M HA 0.715 5.195 4.480 -0.000 0.000 0.350 167 M C -0.427 175.998 176.300 0.208 0.000 1.308 167 M CA -0.736 54.641 55.300 0.127 0.000 1.108 167 M CB 0.856 33.482 32.600 0.044 0.000 1.622 167 M HN 0.216 nan 8.290 nan 0.000 0.468 168 L N 5.482 126.788 121.223 0.139 0.000 2.307 168 L HA 0.523 4.863 4.340 -0.000 0.000 0.282 168 L C -0.662 176.264 176.870 0.094 0.000 1.051 168 L CA 0.393 55.302 54.840 0.116 0.000 0.804 168 L CB 1.878 43.983 42.059 0.077 0.000 1.197 168 L HN 0.686 nan 8.230 nan 0.000 0.431 169 T N 5.656 120.257 114.554 0.078 0.000 2.758 169 T HA 0.473 4.823 4.350 -0.000 0.000 0.285 169 T C -0.365 174.339 174.700 0.007 0.000 0.981 169 T CA -0.384 61.738 62.100 0.037 0.000 0.965 169 T CB 0.565 69.456 68.868 0.038 0.000 0.927 169 T HN 0.511 nan 8.240 nan 0.000 0.448 170 R N 2.144 122.628 120.500 -0.027 0.000 2.439 170 R HA 0.682 5.022 4.340 -0.000 0.000 0.310 170 R C -1.465 174.800 176.300 -0.058 0.000 0.955 170 R CA -0.629 55.460 56.100 -0.018 0.000 0.853 170 R CB 1.051 31.348 30.300 -0.006 0.000 1.171 170 R HN 0.698 nan 8.270 nan 0.000 0.449 171 A N 3.418 126.256 122.820 0.031 0.000 2.310 171 A HA 0.431 4.751 4.320 -0.000 0.000 0.304 171 A C -0.749 176.960 177.584 0.208 0.000 1.231 171 A CA -0.562 51.503 52.037 0.047 0.000 0.799 171 A CB 1.519 20.657 19.000 0.231 0.000 1.162 171 A HN 0.651 nan 8.150 nan 0.000 0.486 172 T N 2.758 117.335 114.554 0.038 0.000 2.799 172 T HA 0.662 5.012 4.350 -0.000 0.000 0.286 172 T C -0.666 174.030 174.700 -0.007 0.000 0.973 172 T CA 0.319 62.510 62.100 0.152 0.000 1.035 172 T CB 0.191 69.136 68.868 0.129 0.000 0.932 172 T HN 0.379 nan 8.240 nan 0.000 0.469 173 F N 0.576 120.596 119.950 0.117 0.000 2.740 173 F HA 0.573 5.100 4.527 -0.000 0.000 0.357 173 F C 0.770 176.627 175.800 0.095 0.000 1.141 173 F CA -1.265 56.792 58.000 0.095 0.000 1.044 173 F CB 1.179 40.354 39.000 0.292 0.000 1.430 173 F HN 0.310 nan 8.300 nan 0.000 0.518 174 L N -0.400 121.020 121.223 0.329 0.000 2.781 174 L HA 0.322 4.662 4.340 -0.000 0.000 0.245 174 L C -0.476 176.350 176.870 -0.075 0.000 1.118 174 L CA 0.339 55.276 54.840 0.162 0.000 0.918 174 L CB 0.404 42.616 42.059 0.255 0.000 1.246 174 L HN 0.426 nan 8.230 nan 0.000 0.526 175 E N 0.029 120.067 120.200 -0.270 0.000 2.393 175 E HA 0.261 4.611 4.350 -0.000 0.000 0.273 175 E C -0.945 175.139 176.600 -0.861 0.000 0.918 175 E CA -0.442 55.564 56.400 -0.656 0.000 0.773 175 E CB 1.538 30.568 29.700 -1.118 0.000 1.275 175 E HN -0.027 nan 8.360 nan 0.000 0.451 176 Q N 1.025 120.272 119.800 -0.922 0.000 3.254 176 Q HA 0.096 4.436 4.340 -0.000 0.000 0.315 176 Q C -0.651 175.057 176.000 -0.487 0.000 1.405 176 Q CA -0.260 54.783 55.803 -1.266 0.000 0.966 176 Q CB -0.307 27.701 28.738 -1.217 0.000 1.706 176 Q HN 0.275 nan 8.270 nan 0.000 0.525 177 W N 2.561 123.799 121.300 -0.103 0.000 2.549 177 W HA -0.043 4.616 4.660 -0.000 0.000 0.343 177 W C -1.866 174.763 176.519 0.183 0.000 1.278 177 W CA -1.381 56.054 57.345 0.149 0.000 1.277 177 W CB -0.192 29.501 29.460 0.388 0.000 1.249 177 W HN 0.285 nan 8.180 nan 0.000 0.572 178 P HA 0.034 nan 4.420 nan 0.000 0.263 178 P C 0.836 178.241 177.300 0.175 0.000 1.195 178 P CA 1.590 64.817 63.100 0.212 0.000 0.762 178 P CB 0.663 32.439 31.700 0.126 0.000 0.799 179 G N 2.413 111.285 108.800 0.121 0.000 2.176 179 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.253 179 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.253 179 G C 0.481 175.422 174.900 0.068 0.000 0.979 179 G CA -0.086 45.042 45.100 0.047 0.000 0.641 179 G HN 0.832 nan 8.290 nan 0.000 0.530 180 A N 0.406 123.323 122.820 0.162 0.000 2.565 180 A HA 0.520 4.839 4.320 -0.000 0.000 0.237 180 A C 0.690 178.268 177.584 -0.010 0.000 1.053 180 A CA 1.510 53.636 52.037 0.149 0.000 0.755 180 A CB 0.106 19.162 19.000 0.093 0.000 0.980 180 A HN 1.695 nan 8.150 nan 0.000 0.506 181 K N 0.641 121.104 120.400 0.105 0.000 2.589 181 K HA 0.544 4.864 4.320 -0.000 0.000 0.265 181 K C -1.960 174.743 176.600 0.171 0.000 0.935 181 K CA -0.841 55.473 56.287 0.045 0.000 0.850 181 K CB 1.184 33.675 32.500 -0.016 0.000 1.372 181 K HN 0.297 nan 8.250 nan 0.000 0.420 182 V N 1.889 121.875 119.914 0.120 0.000 2.459 182 V HA 0.491 4.611 4.120 -0.000 0.000 0.295 182 V C -0.509 175.617 176.094 0.053 0.000 1.029 182 V CA -0.396 61.991 62.300 0.145 0.000 0.874 182 V CB 1.789 33.686 31.823 0.123 0.000 0.985 182 V HN 0.919 nan 8.190 nan 0.000 0.438 183 T N 3.648 118.240 114.554 0.063 0.000 2.887 183 T HA 0.661 5.010 4.350 -0.000 0.000 0.288 183 T C -0.702 174.008 174.700 0.017 0.000 1.021 183 T CA -0.499 61.599 62.100 -0.003 0.000 1.000 183 T CB 2.008 70.863 68.868 -0.021 0.000 1.034 183 T HN 0.334 nan 8.240 nan 0.000 0.467 184 V N 3.548 123.451 119.914 -0.019 0.000 2.380 184 V HA 0.354 4.474 4.120 -0.000 0.000 0.286 184 V C -0.385 175.718 176.094 0.014 0.000 1.015 184 V CA -0.660 61.657 62.300 0.029 0.000 0.834 184 V CB 1.192 33.064 31.823 0.081 0.000 1.009 184 V HN 0.869 nan 8.190 nan 0.000 0.428 185 M N 6.245 125.850 119.600 0.008 0.000 2.105 185 M HA 0.519 4.999 4.480 -0.000 0.000 0.350 185 M C -0.709 175.600 176.300 0.014 0.000 1.308 185 M CA 0.232 55.523 55.300 -0.015 0.000 1.108 185 M CB 0.655 33.235 32.600 -0.034 0.000 1.622 185 M HN 0.433 nan 8.290 nan 0.000 0.468 186 I N 6.420 127.026 120.570 0.059 0.000 2.437 186 I HA 0.346 4.516 4.170 -0.000 0.000 0.279 186 I C -2.134 173.895 176.117 -0.147 0.000 1.028 186 I CA -2.041 59.248 61.300 -0.019 0.000 1.142 186 I CB 1.292 39.352 38.000 0.100 0.000 1.266 186 I HN 0.357 nan 8.210 nan 0.000 0.461 187 P HA 0.081 nan 4.420 nan 0.000 0.275 187 P C -0.688 176.422 177.300 -0.316 0.000 1.227 187 P CA 0.160 63.167 63.100 -0.155 0.000 0.781 187 P CB 1.125 32.767 31.700 -0.096 0.000 0.906 188 Y N 0.350 120.663 120.300 0.023 0.000 2.467 188 Y HA 0.101 4.651 4.550 -0.000 0.000 0.259 188 Y C 1.573 177.516 175.900 0.073 0.000 1.084 188 Y CA 0.564 58.661 58.100 -0.006 0.000 1.275 188 Y CB 0.753 39.295 38.460 0.137 0.000 1.208 188 Y HN 0.460 nan 8.280 nan 0.000 0.511 189 S N -2.389 113.476 115.700 0.274 0.000 2.688 189 S HA 0.286 4.756 4.470 -0.000 0.000 0.275 189 S C 0.583 175.282 174.600 0.166 0.000 1.175 189 S CA -0.150 58.189 58.200 0.232 0.000 0.818 189 S CB 1.111 64.490 63.200 0.299 0.000 1.157 189 S HN -0.062 nan 8.310 nan 0.000 0.482 190 S N 0.811 116.597 115.700 0.143 0.000 2.423 190 S HA -0.015 4.455 4.470 -0.000 0.000 0.231 190 S C 1.648 176.317 174.600 0.115 0.000 1.014 190 S CA 1.459 59.720 58.200 0.101 0.000 0.965 190 S CB -0.737 62.516 63.200 0.088 0.000 0.785 190 S HN 1.090 nan 8.310 nan 0.000 0.495 191 T N -2.017 112.641 114.554 0.172 0.000 3.054 191 T HA 0.386 4.736 4.350 -0.000 0.000 0.255 191 T C -0.268 174.610 174.700 0.295 0.000 1.035 191 T CA -0.449 61.770 62.100 0.199 0.000 0.941 191 T CB -0.273 68.717 68.868 0.203 0.000 1.026 191 T HN 0.160 nan 8.240 nan 0.000 0.533 192 F N 1.973 121.982 119.950 0.098 0.000 2.562 192 F HA 0.607 5.134 4.527 -0.000 0.000 0.319 192 F C -1.165 174.703 175.800 0.113 0.000 1.154 192 F CA -0.674 57.374 58.000 0.081 0.000 0.931 192 F CB 2.142 41.208 39.000 0.110 0.000 1.198 192 F HN -0.088 nan 8.300 nan 0.000 0.444 193 T N 5.176 119.375 114.554 -0.592 0.000 2.841 193 T HA 0.203 4.553 4.350 -0.000 0.000 0.285 193 T C -1.724 172.644 174.700 -0.553 0.000 0.991 193 T CA -0.328 61.538 62.100 -0.389 0.000 0.966 193 T CB 0.837 69.586 68.868 -0.198 0.000 0.962 193 T HN 0.589 nan 8.240 nan 0.000 0.438 194 W N 3.791 124.827 121.300 -0.441 0.000 2.478 194 W HA 0.586 5.246 4.660 -0.000 0.000 0.318 194 W C -1.029 175.413 176.519 -0.129 0.000 1.062 194 W CA -0.690 56.480 57.345 -0.292 0.000 1.210 194 W CB 0.765 30.227 29.460 0.005 0.000 1.325 194 W HN 0.570 nan 8.180 nan 0.000 0.496 195 c N 5.283 123.492 118.600 -0.651 0.000 2.298 195 c HA 0.677 5.246 4.570 -0.000 0.000 0.323 195 c C 0.812 174.294 174.090 -1.012 0.000 1.284 195 c CA -0.692 55.288 56.329 -0.582 0.000 1.577 195 c CB 0.286 42.576 42.510 -0.367 0.000 2.249 195 c HN 0.842 nan 8.230 nan 0.000 0.497 196 G N 2.479 110.822 108.800 -0.762 0.000 2.356 196 G HA2 0.484 4.444 3.960 -0.000 0.000 0.312 196 G HA3 0.484 4.444 3.960 -0.000 0.000 0.312 196 G C -0.655 174.051 174.900 -0.324 0.000 1.096 196 G CA -0.021 44.670 45.100 -0.681 0.000 0.950 196 G HN 0.830 nan 8.290 nan 0.000 0.428 197 E N 2.974 122.994 120.200 -0.300 0.000 2.156 197 E HA 0.371 4.721 4.350 -0.000 0.000 0.279 197 E C -0.490 176.027 176.600 -0.139 0.000 0.965 197 E CA -0.669 55.623 56.400 -0.180 0.000 0.789 197 E CB 0.990 30.585 29.700 -0.174 0.000 1.098 197 E HN 0.314 nan 8.360 nan 0.000 0.397 198 L N 4.835 125.997 121.223 -0.100 0.000 2.297 198 L HA 0.422 4.762 4.340 -0.000 0.000 0.277 198 L C 0.388 177.180 176.870 -0.130 0.000 1.040 198 L CA -0.707 54.071 54.840 -0.105 0.000 0.867 198 L CB 1.195 43.206 42.059 -0.079 0.000 1.244 198 L HN 0.649 nan 8.230 nan 0.000 0.433 199 G N 2.369 111.079 108.800 -0.151 0.000 2.333 199 G HA2 0.510 4.470 3.960 -0.000 0.000 0.290 199 G HA3 0.510 4.470 3.960 -0.000 0.000 0.290 199 G C 0.216 174.953 174.900 -0.271 0.000 1.150 199 G CA -0.279 44.713 45.100 -0.181 0.000 0.895 199 G HN 0.678 nan 8.290 nan 0.000 0.444 200 A N 2.467 125.043 122.820 -0.406 0.000 2.462 200 A HA 0.642 4.962 4.320 -0.000 0.000 0.243 200 A C 0.446 177.768 177.584 -0.437 0.000 1.076 200 A CA -0.116 51.504 52.037 -0.695 0.000 0.773 200 A CB 0.035 18.186 19.000 -1.415 0.000 1.010 200 A HN 1.241 nan 8.150 nan 0.000 0.493 201 I N -1.502 118.832 120.570 -0.393 0.000 3.074 201 I HA 0.555 4.725 4.170 -0.000 0.000 0.310 201 I C -0.003 176.102 176.117 -0.020 0.000 1.153 201 I CA -0.981 60.231 61.300 -0.146 0.000 0.993 201 I CB 1.741 39.678 38.000 -0.106 0.000 1.237 201 I HN 0.463 nan 8.210 nan 0.000 0.443 202 S N 1.647 117.388 115.700 0.069 0.000 2.711 202 S HA -0.126 4.344 4.470 -0.000 0.000 0.320 202 S C 1.037 175.713 174.600 0.127 0.000 1.240 202 S CA 0.468 58.743 58.200 0.124 0.000 1.034 202 S CB 0.155 63.394 63.200 0.064 0.000 0.741 202 S HN 0.883 nan 8.310 nan 0.000 0.496 203 E N 1.490 121.797 120.200 0.178 0.000 2.265 203 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 203 E C 0.852 177.498 176.600 0.077 0.000 0.996 203 E CA 1.114 57.604 56.400 0.150 0.000 0.832 203 E CB 0.091 29.872 29.700 0.137 0.000 0.756 203 E HN 0.697 nan 8.360 nan 0.000 0.491 204 E N -0.038 120.196 120.200 0.057 0.000 2.479 204 E HA 0.091 4.441 4.350 -0.000 0.000 0.193 204 E C -0.008 176.607 176.600 0.025 0.000 1.049 204 E CA -0.083 56.338 56.400 0.035 0.000 0.870 204 E CB 0.732 30.448 29.700 0.026 0.000 0.944 204 E HN -0.013 nan 8.360 nan 0.000 0.492 205 S N 0.584 116.298 115.700 0.025 0.000 2.624 205 S HA 0.571 5.041 4.470 -0.000 0.000 0.263 205 S C 0.238 174.840 174.600 0.003 0.000 1.287 205 S CA -0.543 57.663 58.200 0.009 0.000 0.990 205 S CB 1.117 64.318 63.200 0.000 0.000 0.950 205 S HN 0.281 nan 8.310 nan 0.000 0.561 206 A N 1.450 124.269 122.820 -0.003 0.000 2.306 206 A HA 0.708 5.028 4.320 -0.000 0.000 0.330 206 A C -2.746 174.829 177.584 -0.015 0.000 1.146 206 A CA -2.063 49.971 52.037 -0.005 0.000 0.827 206 A CB -0.248 18.750 19.000 -0.003 0.000 1.178 206 A HN 0.495 nan 8.150 nan 0.000 0.490 207 P HA 0.158 nan 4.420 nan 0.000 0.265 207 P C -0.975 176.310 177.300 -0.025 0.000 1.193 207 P CA 0.474 63.558 63.100 -0.026 0.000 0.765 207 P CB 0.292 31.981 31.700 -0.019 0.000 0.823 208 Q N 4.277 124.056 119.800 -0.035 0.000 2.700 208 Q HA 0.274 4.614 4.340 -0.000 0.000 0.249 208 Q C -2.204 173.777 176.000 -0.032 0.000 1.033 208 Q CA -1.844 53.941 55.803 -0.029 0.000 0.804 208 Q CB 1.208 29.927 28.738 -0.031 0.000 1.164 208 Q HN 0.404 nan 8.270 nan 0.000 0.500 209 P HA 0.032 nan 4.420 nan 0.000 0.276 209 P C -0.192 177.095 177.300 -0.021 0.000 1.261 209 P CA -0.184 62.902 63.100 -0.024 0.000 0.800 209 P CB 1.238 32.929 31.700 -0.014 0.000 1.066 210 S N 0.585 116.270 115.700 -0.024 0.000 2.669 210 S HA 0.218 4.688 4.470 -0.000 0.000 0.270 210 S C 0.346 174.931 174.600 -0.025 0.000 1.225 210 S CA -0.716 57.470 58.200 -0.024 0.000 0.991 210 S CB 0.058 63.240 63.200 -0.030 0.000 0.987 210 S HN 0.369 nan 8.310 nan 0.000 0.552 211 L N 2.622 123.824 121.223 -0.035 0.000 2.415 211 L HA 0.416 4.756 4.340 -0.000 0.000 0.269 211 L C -0.721 176.065 176.870 -0.141 0.000 1.244 211 L CA 0.397 55.206 54.840 -0.051 0.000 1.113 211 L CB -1.082 40.958 42.059 -0.031 0.000 1.352 211 L HN 0.684 nan 8.230 nan 0.000 0.433 212 S N 3.507 119.149 115.700 -0.097 0.000 2.707 212 S HA 0.870 5.340 4.470 -0.000 0.000 0.303 212 S C -0.246 174.318 174.600 -0.059 0.000 1.132 212 S CA -0.468 57.658 58.200 -0.122 0.000 1.046 212 S CB 1.527 64.705 63.200 -0.036 0.000 1.004 212 S HN 0.737 nan 8.310 nan 0.000 0.483 213 A N 2.909 125.701 122.820 -0.047 0.000 2.356 213 A HA 0.854 5.174 4.320 -0.000 0.000 0.323 213 A C -0.289 177.324 177.584 0.047 0.000 1.119 213 A CA -0.852 51.220 52.037 0.058 0.000 0.790 213 A CB 1.226 20.341 19.000 0.192 0.000 1.273 213 A HN 0.748 nan 8.150 nan 0.000 0.452 214 R N 0.675 121.180 120.500 0.008 0.000 2.514 214 R HA 0.632 4.971 4.340 -0.000 0.000 0.301 214 R C -1.098 175.165 176.300 -0.061 0.000 0.962 214 R CA -0.091 55.986 56.100 -0.038 0.000 0.882 214 R CB 1.502 31.764 30.300 -0.064 0.000 1.143 214 R HN 0.691 nan 8.270 nan 0.000 0.452 215 S N 4.855 120.493 115.700 -0.104 0.000 2.733 215 S HA 0.437 4.907 4.470 -0.000 0.000 0.294 215 S C -2.651 171.827 174.600 -0.205 0.000 1.149 215 S CA -1.466 56.658 58.200 -0.127 0.000 1.034 215 S CB 1.664 64.808 63.200 -0.094 0.000 1.015 215 S HN 0.521 nan 8.310 nan 0.000 0.486 216 P HA 0.163 nan 4.420 nan 0.000 0.260 216 P C 0.938 178.142 177.300 -0.160 0.000 1.651 216 P CA -0.257 62.713 63.100 -0.218 0.000 1.139 216 P CB 0.702 32.304 31.700 -0.162 0.000 1.756 217 V N 2.150 121.928 119.914 -0.227 0.000 2.490 217 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 217 V C 1.530 177.585 176.094 -0.066 0.000 1.061 217 V CA 1.763 63.961 62.300 -0.170 0.000 1.064 217 V CB -0.654 30.987 31.823 -0.302 0.000 0.670 217 V HN 0.543 nan 8.190 nan 0.000 0.461 218 c N 0.983 119.570 118.600 -0.021 0.000 2.361 218 c HA 0.298 4.868 4.570 -0.000 0.000 0.336 218 c C 0.875 175.044 174.090 0.131 0.000 1.406 218 c CA -1.236 55.149 56.329 0.093 0.000 1.763 218 c CB -1.776 40.881 42.510 0.246 0.000 2.761 218 c HN 0.396 nan 8.230 nan 0.000 0.566 219 K N 2.309 122.759 120.400 0.085 0.000 2.451 219 K HA -0.004 4.316 4.320 -0.000 0.000 0.280 219 K C 0.104 176.735 176.600 0.051 0.000 1.020 219 K CA 0.615 56.929 56.287 0.046 0.000 1.008 219 K CB 0.196 32.709 32.500 0.022 0.000 0.917 219 K HN 0.552 nan 8.250 nan 0.000 0.478 220 N N 2.240 120.935 118.700 -0.008 0.000 2.771 220 N HA -0.163 4.577 4.740 -0.000 0.000 0.249 220 N C 0.579 176.023 175.510 -0.109 0.000 1.069 220 N CA 1.108 54.116 53.050 -0.071 0.000 0.688 220 N CB -1.586 36.834 38.487 -0.111 0.000 0.928 220 N HN 0.782 nan 8.380 nan 0.000 0.551 221 S N -1.051 114.590 115.700 -0.098 0.000 2.440 221 S HA -0.142 4.327 4.470 -0.000 0.000 0.240 221 S C 1.993 176.451 174.600 -0.237 0.000 1.014 221 S CA 0.997 59.070 58.200 -0.212 0.000 0.980 221 S CB -0.085 62.739 63.200 -0.627 0.000 0.775 221 S HN 0.597 nan 8.310 nan 0.000 0.499 222 A N 1.889 124.605 122.820 -0.174 0.000 2.125 222 A HA -0.012 4.307 4.320 -0.000 0.000 0.219 222 A C 2.245 179.770 177.584 -0.098 0.000 1.156 222 A CA 1.271 53.245 52.037 -0.106 0.000 0.671 222 A CB -0.743 18.220 19.000 -0.062 0.000 0.794 222 A HN 0.628 nan 8.150 nan 0.000 0.459 223 R N -1.394 118.958 120.500 -0.248 0.000 2.092 223 R HA -0.131 4.208 4.340 -0.000 0.000 0.231 223 R C 0.545 176.654 176.300 -0.318 0.000 1.119 223 R CA 1.461 57.371 56.100 -0.316 0.000 0.970 223 R CB -0.240 29.612 30.300 -0.748 0.000 0.864 223 R HN 0.579 nan 8.270 nan 0.000 0.440 224 Y N 0.420 120.700 120.300 -0.034 0.000 2.537 224 Y HA 0.125 4.674 4.550 -0.000 0.000 0.303 224 Y C 1.897 177.877 175.900 0.133 0.000 1.176 224 Y CA 0.135 58.191 58.100 -0.073 0.000 1.273 224 Y CB 0.239 38.547 38.460 -0.253 0.000 1.110 224 Y HN 0.149 nan 8.280 nan 0.000 0.518 225 S N -1.650 114.155 115.700 0.175 0.000 2.436 225 S HA -0.004 4.466 4.470 -0.000 0.000 0.228 225 S C 1.076 175.763 174.600 0.146 0.000 1.014 225 S CA 0.734 59.030 58.200 0.160 0.000 0.950 225 S CB -0.443 62.808 63.200 0.084 0.000 0.784 225 S HN 0.404 nan 8.310 nan 0.000 0.504 226 T N -0.963 113.677 114.554 0.142 0.000 2.804 226 T HA 0.569 4.919 4.350 -0.000 0.000 0.290 226 T C 0.238 175.009 174.700 0.117 0.000 1.099 226 T CA -0.105 62.044 62.100 0.080 0.000 1.011 226 T CB 1.399 70.258 68.868 -0.015 0.000 1.291 226 T HN 0.183 nan 8.240 nan 0.000 0.523 227 S N -0.893 114.803 115.700 -0.007 0.000 2.622 227 S HA 0.173 4.643 4.470 -0.000 0.000 0.236 227 S C 1.386 175.900 174.600 -0.144 0.000 0.956 227 S CA -0.273 57.869 58.200 -0.097 0.000 0.971 227 S CB -0.392 62.719 63.200 -0.148 0.000 0.782 227 S HN 0.832 nan 8.310 nan 0.000 0.468 228 K N 0.909 121.186 120.400 -0.205 0.000 2.209 228 K HA -0.022 4.298 4.320 -0.000 0.000 0.204 228 K C -0.000 176.374 176.600 -0.377 0.000 1.048 228 K CA 1.168 57.226 56.287 -0.381 0.000 0.940 228 K CB -0.157 31.958 32.500 -0.641 0.000 0.729 228 K HN 0.465 nan 8.250 nan 0.000 0.451 229 F N -0.056 119.922 119.950 0.046 0.000 2.684 229 F HA 0.209 4.736 4.527 -0.000 0.000 0.298 229 F C 1.398 177.226 175.800 0.048 0.000 1.120 229 F CA -0.821 57.225 58.000 0.076 0.000 1.332 229 F CB -0.354 38.724 39.000 0.130 0.000 0.986 229 F HN 0.045 nan 8.300 nan 0.000 0.524 230 C N -0.339 118.942 119.300 -0.032 0.000 2.466 230 C HA -0.117 4.343 4.460 -0.000 0.000 0.278 230 C C 2.855 177.820 174.990 -0.041 0.000 1.288 230 C CA 0.946 59.831 59.018 -0.222 0.000 1.722 230 C CB -0.400 27.108 27.740 -0.387 0.000 2.017 230 C HN 0.478 nan 8.230 nan 0.000 0.488 231 E N 0.901 121.098 120.200 -0.004 0.000 2.031 231 E HA -0.143 4.206 4.350 -0.000 0.000 0.193 231 E C 2.052 178.687 176.600 0.059 0.000 0.994 231 E CA 1.465 57.877 56.400 0.019 0.000 0.800 231 E CB -0.234 29.475 29.700 0.015 0.000 0.752 231 E HN 0.372 nan 8.360 nan 0.000 0.447 232 V N 1.175 121.151 119.914 0.102 0.000 2.220 232 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 232 V C 1.569 177.727 176.094 0.106 0.000 1.049 232 V CA 2.275 64.639 62.300 0.107 0.000 1.003 232 V CB -0.702 31.209 31.823 0.147 0.000 0.634 232 V HN 0.241 nan 8.190 nan 0.000 0.444 233 D N 0.495 120.992 120.400 0.162 0.000 2.411 233 D HA 0.083 4.723 4.640 -0.000 0.000 0.226 233 D C 1.555 177.948 176.300 0.154 0.000 0.988 233 D CA 1.142 55.257 54.000 0.192 0.000 0.938 233 D CB -0.635 40.393 40.800 0.379 0.000 0.883 233 D HN 0.625 nan 8.370 nan 0.000 0.525 234 G N -0.149 108.713 108.800 0.103 0.000 2.273 234 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.280 234 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.280 234 G C 0.274 175.221 174.900 0.078 0.000 1.047 234 G CA 0.146 45.290 45.100 0.073 0.000 0.869 234 G HN 0.436 nan 8.290 nan 0.000 0.502 235 c N 1.630 120.274 118.600 0.073 0.000 2.842 235 c HA 0.686 5.256 4.570 -0.000 0.000 0.311 235 c C 1.211 175.286 174.090 -0.026 0.000 1.312 235 c CA -0.035 56.331 56.329 0.062 0.000 1.651 235 c CB -1.268 41.330 42.510 0.147 0.000 1.826 235 c HN 0.859 nan 8.230 nan 0.000 0.491 236 T N -1.610 112.942 114.554 -0.003 0.000 2.708 236 T HA 0.691 5.041 4.350 -0.000 0.000 0.256 236 T C 1.032 175.739 174.700 0.011 0.000 0.946 236 T CA 0.277 62.366 62.100 -0.018 0.000 1.039 236 T CB 1.236 70.093 68.868 -0.018 0.000 1.557 236 T HN 0.201 nan 8.240 nan 0.000 0.576 237 A N -0.479 122.346 122.820 0.008 0.000 2.169 237 A HA 0.290 4.610 4.320 -0.000 0.000 0.210 237 A C 1.921 179.513 177.584 0.013 0.000 1.168 237 A CA 0.367 52.415 52.037 0.017 0.000 0.813 237 A CB -0.759 18.250 19.000 0.016 0.000 0.861 237 A HN 0.754 nan 8.150 nan 0.000 0.481 238 E N 0.083 120.288 120.200 0.008 0.000 2.150 238 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 238 E C 1.969 178.576 176.600 0.011 0.000 0.985 238 E CA 1.824 58.229 56.400 0.008 0.000 0.814 238 E CB -0.304 29.400 29.700 0.006 0.000 0.752 238 E HN 0.724 nan 8.360 nan 0.000 0.466 239 T N -3.951 110.612 114.554 0.014 0.000 3.086 239 T HA 0.300 4.650 4.350 -0.000 0.000 0.250 239 T C 1.453 176.162 174.700 0.015 0.000 1.074 239 T CA 0.234 62.344 62.100 0.017 0.000 0.988 239 T CB 0.365 69.248 68.868 0.024 0.000 0.988 239 T HN 0.207 nan 8.240 nan 0.000 0.530 240 G N 2.522 111.330 108.800 0.014 0.000 2.198 240 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 240 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 240 G C 0.499 175.398 174.900 -0.003 0.000 1.025 240 G CA 0.026 45.128 45.100 0.003 0.000 0.769 240 G HN 0.563 nan 8.290 nan 0.000 0.507 241 M N -1.389 118.230 119.600 0.033 0.000 2.253 241 M HA -0.149 4.331 4.480 -0.000 0.000 0.195 241 M C 0.063 176.387 176.300 0.040 0.000 0.512 241 M CA 1.376 56.718 55.300 0.070 0.000 0.442 241 M CB -2.095 30.574 32.600 0.115 0.000 1.189 241 M HN 0.713 nan 8.290 nan 0.000 0.923 242 E N 0.342 120.563 120.200 0.036 0.000 2.373 242 E HA 0.336 4.686 4.350 -0.000 0.000 0.251 242 E C -0.116 176.505 176.600 0.036 0.000 0.923 242 E CA -0.443 55.971 56.400 0.024 0.000 0.798 242 E CB 1.812 31.512 29.700 -0.000 0.000 1.303 242 E HN 0.240 nan 8.360 nan 0.000 0.412 243 K N 5.029 125.460 120.400 0.051 0.000 2.484 243 K HA 0.268 4.587 4.320 -0.000 0.000 0.226 243 K C -0.415 176.203 176.600 0.030 0.000 1.031 243 K CA -0.574 55.744 56.287 0.052 0.000 1.026 243 K CB 0.409 32.961 32.500 0.087 0.000 1.412 243 K HN 0.310 nan 8.250 nan 0.000 0.492 244 M N 1.483 121.090 119.600 0.011 0.000 2.241 244 M HA 0.239 4.719 4.480 -0.000 0.000 0.335 244 M C -0.220 176.070 176.300 -0.016 0.000 1.122 244 M CA -0.054 55.241 55.300 -0.008 0.000 1.164 244 M CB 1.146 33.735 32.600 -0.018 0.000 1.459 244 M HN 0.340 nan 8.290 nan 0.000 0.461 245 S N 1.943 117.622 115.700 -0.035 0.000 2.548 245 S HA 0.576 5.046 4.470 -0.000 0.000 0.276 245 S C -0.916 173.635 174.600 -0.082 0.000 1.129 245 S CA -0.854 57.318 58.200 -0.046 0.000 0.931 245 S CB 2.016 65.192 63.200 -0.041 0.000 1.068 245 S HN 0.542 nan 8.310 nan 0.000 0.480 246 L N 2.707 123.881 121.223 -0.082 0.000 2.410 246 L HA 0.335 4.675 4.340 -0.000 0.000 0.273 246 L C 0.569 177.338 176.870 -0.169 0.000 1.152 246 L CA 0.375 55.147 54.840 -0.114 0.000 0.855 246 L CB 0.101 42.113 42.059 -0.079 0.000 1.129 246 L HN 0.828 nan 8.230 nan 0.000 0.463 247 L N 1.620 122.663 121.223 -0.300 0.000 2.362 247 L HA 0.134 4.474 4.340 -0.000 0.000 0.204 247 L C 0.643 177.228 176.870 -0.475 0.000 1.060 247 L CA 0.133 54.660 54.840 -0.522 0.000 0.827 247 L CB -0.064 41.387 42.059 -1.013 0.000 1.027 247 L HN 0.581 nan 8.230 nan 0.000 0.474 248 T N 3.598 117.942 114.554 -0.350 0.000 2.784 248 T HA 0.125 4.475 4.350 -0.000 0.000 0.291 248 T C -2.237 172.479 174.700 0.026 0.000 0.942 248 T CA -0.815 61.267 62.100 -0.030 0.000 1.161 248 T CB 0.437 69.312 68.868 0.011 0.000 0.885 248 T HN 0.045 nan 8.240 nan 0.000 0.534 249 P HA 0.197 nan 4.420 nan 0.000 0.276 249 P C 0.419 177.843 177.300 0.207 0.000 1.230 249 P CA -0.391 62.790 63.100 0.135 0.000 0.776 249 P CB 0.365 32.152 31.700 0.146 0.000 0.888 250 F N 2.375 122.332 119.950 0.011 0.000 1.985 250 F HA -0.249 4.278 4.527 -0.000 0.000 0.271 250 F C 0.659 176.463 175.800 0.006 0.000 0.130 250 F CA 1.616 59.621 58.000 0.008 0.000 0.785 250 F CB -1.379 37.629 39.000 0.012 0.000 3.515 250 F HN 0.512 nan 8.300 nan 0.000 0.374 251 G N 1.417 109.392 108.800 -1.376 0.000 3.882 251 G HA2 0.508 4.468 3.960 -0.000 0.000 0.283 251 G HA3 0.508 4.468 3.960 -0.000 0.000 0.283 251 G C 0.588 175.113 174.900 -0.624 0.000 1.283 251 G CA 0.279 44.830 45.100 -0.914 0.000 1.402 251 G HN 1.083 nan 8.290 nan 0.000 0.618 252 G N 1.191 109.876 108.800 -0.192 0.000 2.620 252 G HA2 0.257 4.216 3.960 -0.000 0.000 0.200 252 G HA3 0.257 4.216 3.960 -0.000 0.000 0.200 252 G C -1.682 173.229 174.900 0.019 0.000 1.710 252 G CA -0.369 44.774 45.100 0.071 0.000 0.919 252 G HN 0.343 nan 8.290 nan 0.000 0.455 253 P HA 0.083 nan 4.420 nan 0.000 0.259 253 P C -1.708 175.594 177.300 0.004 0.000 1.163 253 P CA -0.520 62.602 63.100 0.037 0.000 0.760 253 P CB 0.850 32.588 31.700 0.063 0.000 0.762 254 P HA -0.165 nan 4.420 nan 0.000 0.223 254 P C -0.045 177.241 177.300 -0.023 0.000 1.144 254 P CA 1.319 64.409 63.100 -0.017 0.000 0.783 254 P CB 0.370 32.066 31.700 -0.006 0.000 0.771 255 Q N 0.400 120.194 119.800 -0.010 0.000 2.340 255 Q HA 0.305 4.645 4.340 -0.000 0.000 0.259 255 Q C -0.169 175.823 176.000 -0.013 0.000 0.964 255 Q CA 0.037 55.826 55.803 -0.023 0.000 0.900 255 Q CB 1.065 29.792 28.738 -0.018 0.000 1.228 255 Q HN 0.227 nan 8.270 nan 0.000 0.449 256 Q N 1.171 120.945 119.800 -0.043 0.000 2.278 256 Q HA 0.731 5.071 4.340 -0.000 0.000 0.257 256 Q C -0.889 175.069 176.000 -0.070 0.000 0.928 256 Q CA -0.683 55.088 55.803 -0.053 0.000 0.932 256 Q CB 1.662 30.357 28.738 -0.072 0.000 1.221 256 Q HN 0.665 nan 8.270 nan 0.000 0.434 257 A N 3.269 126.030 122.820 -0.099 0.000 2.325 257 A HA 0.673 4.993 4.320 -0.000 0.000 0.333 257 A C -0.779 176.685 177.584 -0.200 0.000 1.155 257 A CA -0.624 51.330 52.037 -0.138 0.000 0.814 257 A CB 1.000 19.920 19.000 -0.133 0.000 1.206 257 A HN 0.668 nan 8.150 nan 0.000 0.482 258 K N 1.135 121.446 120.400 -0.148 0.000 2.426 258 K HA 0.634 4.954 4.320 -0.000 0.000 0.251 258 K C -0.753 175.785 176.600 -0.105 0.000 0.941 258 K CA -0.450 55.758 56.287 -0.132 0.000 0.808 258 K CB 2.395 34.843 32.500 -0.087 0.000 1.265 258 K HN 0.891 nan 8.250 nan 0.000 0.432 259 M N -0.085 119.458 119.600 -0.095 0.000 2.664 259 M HA 0.535 5.015 4.480 -0.000 0.000 0.314 259 M C -0.805 175.482 176.300 -0.021 0.000 1.200 259 M CA -0.727 54.540 55.300 -0.054 0.000 0.916 259 M CB 1.690 34.247 32.600 -0.072 0.000 1.717 259 M HN 0.300 nan 8.290 nan 0.000 0.470 260 N N 0.329 119.039 118.700 0.015 0.000 2.372 260 N HA 0.425 5.165 4.740 -0.000 0.000 0.291 260 N C -0.140 175.404 175.510 0.056 0.000 1.024 260 N CA -0.402 52.666 53.050 0.030 0.000 0.873 260 N CB 1.898 40.400 38.487 0.024 0.000 1.206 260 N HN 0.846 nan 8.380 nan 0.000 0.486 261 T N -0.968 113.615 114.554 0.049 0.000 3.057 261 T HA 0.042 4.392 4.350 -0.000 0.000 0.254 261 T C 1.821 176.531 174.700 0.016 0.000 1.094 261 T CA 0.163 62.279 62.100 0.027 0.000 1.088 261 T CB -0.492 68.398 68.868 0.038 0.000 0.934 261 T HN 0.535 nan 8.240 nan 0.000 0.497 262 c N 2.275 120.940 118.600 0.108 0.000 2.419 262 c HA 0.045 4.615 4.570 -0.000 0.000 0.281 262 c C -0.082 174.131 174.090 0.205 0.000 1.336 262 c CA 0.157 56.618 56.329 0.220 0.000 1.770 262 c CB -1.493 41.154 42.510 0.228 0.000 1.929 262 c HN 0.425 nan 8.230 nan 0.000 0.509 263 P HA -0.094 nan 4.420 nan 0.000 0.218 263 P C 1.411 178.718 177.300 0.011 0.000 1.146 263 P CA 1.398 64.535 63.100 0.060 0.000 0.813 263 P CB -0.340 31.314 31.700 -0.078 0.000 0.778 264 c N -2.753 115.773 118.600 -0.124 0.000 2.413 264 c HA -0.180 4.390 4.570 -0.000 0.000 0.276 264 c C 2.393 176.380 174.090 -0.171 0.000 1.248 264 c CA 0.673 56.833 56.329 -0.281 0.000 1.742 264 c CB -2.058 39.850 42.510 -1.003 0.000 2.017 264 c HN 0.220 nan 8.230 nan 0.000 0.481 265 Y N -0.438 119.825 120.300 -0.062 0.000 2.128 265 Y HA -0.210 4.340 4.550 -0.000 0.000 0.284 265 Y C 2.352 178.217 175.900 -0.059 0.000 1.154 265 Y CA 1.977 60.102 58.100 0.042 0.000 1.149 265 Y CB -1.019 37.420 38.460 -0.034 0.000 0.976 265 Y HN 0.372 nan 8.280 nan 0.000 0.505 266 Y N -0.115 120.268 120.300 0.138 0.000 2.574 266 Y HA -0.164 4.386 4.550 -0.000 0.000 0.294 266 Y C 2.311 178.185 175.900 -0.043 0.000 1.142 266 Y CA 1.361 59.483 58.100 0.036 0.000 1.314 266 Y CB -0.204 38.244 38.460 -0.020 0.000 0.991 266 Y HN 0.102 nan 8.280 nan 0.000 0.555 267 K N -1.444 118.958 120.400 0.002 0.000 2.244 267 K HA -0.041 4.279 4.320 -0.000 0.000 0.200 267 K C 0.697 177.116 176.600 -0.302 0.000 1.052 267 K CA 0.897 57.045 56.287 -0.231 0.000 0.980 267 K CB 0.042 32.264 32.500 -0.464 0.000 0.838 267 K HN 0.220 nan 8.250 nan 0.000 0.481 268 Y N -0.029 120.330 120.300 0.098 0.000 2.483 268 Y HA 0.280 4.830 4.550 -0.000 0.000 0.258 268 Y C 0.790 176.761 175.900 0.119 0.000 1.083 268 Y CA -0.298 57.873 58.100 0.118 0.000 1.283 268 Y CB 0.612 39.164 38.460 0.154 0.000 1.178 268 Y HN -0.126 nan 8.280 nan 0.000 0.515 269 S N 1.013 116.874 115.700 0.268 0.000 2.533 269 S HA 0.182 4.651 4.470 -0.000 0.000 0.282 269 S C 1.042 175.710 174.600 0.113 0.000 1.304 269 S CA -0.191 58.130 58.200 0.202 0.000 1.063 269 S CB 0.648 63.974 63.200 0.210 0.000 0.881 269 S HN 0.225 nan 8.310 nan 0.000 0.493 270 V N 2.644 122.614 119.914 0.095 0.000 3.542 270 V HA 0.362 4.482 4.120 -0.000 0.000 0.296 270 V C 0.667 176.780 176.094 0.032 0.000 1.364 270 V CA -0.317 62.018 62.300 0.059 0.000 1.118 270 V CB -0.393 31.465 31.823 0.058 0.000 0.972 270 V HN 0.569 nan 8.190 nan 0.000 0.430 271 S N 1.626 117.341 115.700 0.025 0.000 2.646 271 S HA 0.586 5.056 4.470 -0.000 0.000 0.276 271 S C -2.422 172.163 174.600 -0.025 0.000 1.222 271 S CA -0.615 57.582 58.200 -0.005 0.000 1.014 271 S CB 1.136 64.326 63.200 -0.017 0.000 0.991 271 S HN 0.307 nan 8.310 nan 0.000 0.533 272 P HA 0.325 nan 4.420 nan 0.000 0.276 272 P C -1.094 176.163 177.300 -0.071 0.000 1.243 272 P CA 0.021 63.100 63.100 -0.034 0.000 0.768 272 P CB 0.360 32.047 31.700 -0.023 0.000 0.856 273 L N 4.887 126.058 121.223 -0.087 0.000 2.304 273 L HA 0.583 4.923 4.340 -0.000 0.000 0.268 273 L C -1.852 175.009 176.870 -0.016 0.000 1.010 273 L CA -2.388 52.354 54.840 -0.163 0.000 0.813 273 L CB 0.600 42.367 42.059 -0.488 0.000 1.315 273 L HN 0.221 nan 8.230 nan 0.000 0.445 274 P HA 0.116 nan 4.420 nan 0.000 0.270 274 P C -1.196 176.216 177.300 0.187 0.000 1.221 274 P CA -0.231 62.936 63.100 0.111 0.000 0.788 274 P CB 0.429 32.206 31.700 0.129 0.000 0.904 275 A N 2.859 125.743 122.820 0.107 0.000 2.287 275 A HA 0.729 5.049 4.320 -0.000 0.000 0.317 275 A C -0.338 177.273 177.584 0.045 0.000 1.220 275 A CA -0.503 51.583 52.037 0.082 0.000 0.835 275 A CB -0.029 19.001 19.000 0.051 0.000 1.180 275 A HN 0.551 nan 8.150 nan 0.000 0.500 276 M N 2.360 121.965 119.600 0.007 0.000 2.322 276 M HA 0.299 4.779 4.480 -0.000 0.000 0.285 276 M C -0.240 176.044 176.300 -0.025 0.000 1.119 276 M CA -0.633 54.660 55.300 -0.011 0.000 0.953 276 M CB 1.817 34.384 32.600 -0.055 0.000 1.701 276 M HN 0.689 nan 8.290 nan 0.000 0.479 277 D N 1.480 121.905 120.400 0.042 0.000 2.221 277 D HA -0.175 4.465 4.640 -0.000 0.000 0.204 277 D C 0.070 176.410 176.300 0.065 0.000 0.982 277 D CA 1.678 55.701 54.000 0.037 0.000 0.857 277 D CB 0.092 40.911 40.800 0.031 0.000 0.934 277 D HN 0.851 nan 8.370 nan 0.000 0.475 278 H N -1.545 117.451 119.070 -0.124 0.000 3.008 278 H HA 0.641 5.197 4.556 -0.000 0.000 0.354 278 H C -1.346 173.877 175.328 -0.175 0.000 1.252 278 H CA -1.154 54.809 56.048 -0.142 0.000 1.117 278 H CB 1.046 30.748 29.762 -0.100 0.000 1.857 278 H HN -0.053 nan 8.280 nan 0.000 0.547 279 L N 1.264 122.238 121.223 -0.416 0.000 2.350 279 L HA 0.507 4.847 4.340 -0.000 0.000 0.260 279 L C -0.301 176.406 176.870 -0.270 0.000 1.015 279 L CA -1.121 53.456 54.840 -0.439 0.000 0.821 279 L CB 2.561 44.409 42.059 -0.351 0.000 1.370 279 L HN 0.495 nan 8.230 nan 0.000 0.416 280 I N 2.207 122.656 120.570 -0.202 0.000 2.328 280 I HA 0.179 4.349 4.170 -0.000 0.000 0.287 280 I C 0.795 176.881 176.117 -0.052 0.000 1.012 280 I CA -0.275 60.976 61.300 -0.082 0.000 1.195 280 I CB 1.626 39.594 38.000 -0.053 0.000 1.350 280 I HN 0.574 nan 8.210 nan 0.000 0.464 281 L N 5.872 127.078 121.223 -0.029 0.000 2.240 281 L HA 0.230 4.570 4.340 -0.000 0.000 0.211 281 L C 0.932 177.829 176.870 0.045 0.000 1.106 281 L CA 0.531 55.385 54.840 0.024 0.000 0.793 281 L CB -0.108 41.976 42.059 0.042 0.000 0.927 281 L HN 0.771 nan 8.230 nan 0.000 0.446 282 A N -0.654 122.172 122.820 0.011 0.000 2.515 282 A HA 0.541 4.861 4.320 -0.000 0.000 0.292 282 A C -1.963 175.607 177.584 -0.022 0.000 1.065 282 A CA -0.546 51.487 52.037 -0.007 0.000 0.641 282 A CB 1.139 20.141 19.000 0.003 0.000 1.306 282 A HN 0.082 nan 8.150 nan 0.000 0.441 283 D N -1.029 119.347 120.400 -0.041 0.000 2.615 283 D HA 0.661 5.301 4.640 -0.000 0.000 0.267 283 D C -1.711 174.547 176.300 -0.071 0.000 1.236 283 D CA -0.366 53.602 54.000 -0.053 0.000 0.839 283 D CB 1.446 42.216 40.800 -0.050 0.000 1.380 283 D HN 1.191 nan 8.370 nan 0.000 0.433 284 L N 0.308 121.474 121.223 -0.094 0.000 2.505 284 L HA 0.797 5.137 4.340 -0.000 0.000 0.266 284 L C -1.539 175.243 176.870 -0.147 0.000 0.954 284 L CA -0.269 54.504 54.840 -0.111 0.000 0.852 284 L CB 1.569 43.555 42.059 -0.121 0.000 1.282 284 L HN 0.834 nan 8.230 nan 0.000 0.403 285 A N 2.813 125.559 122.820 -0.122 0.000 2.337 285 A HA 0.836 5.156 4.320 -0.000 0.000 0.331 285 A C 0.767 178.277 177.584 -0.124 0.000 1.137 285 A CA 0.180 52.142 52.037 -0.125 0.000 0.807 285 A CB 1.276 20.223 19.000 -0.089 0.000 1.250 285 A HN 1.934 nan 8.150 nan 0.000 0.468 286 G N -0.101 108.624 108.800 -0.125 0.000 2.175 286 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.182 286 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.182 286 G C 0.656 175.490 174.900 -0.110 0.000 1.003 286 G CA 0.164 45.209 45.100 -0.091 0.000 0.666 286 G HN 0.680 nan 8.290 nan 0.000 0.506 287 L N 0.392 121.473 121.223 -0.237 0.000 2.265 287 L HA -0.016 4.324 4.340 -0.000 0.000 0.215 287 L C 2.223 179.199 176.870 0.178 0.000 1.117 287 L CA 1.504 56.136 54.840 -0.346 0.000 0.782 287 L CB -0.309 41.109 42.059 -1.068 0.000 0.914 287 L HN 0.110 nan 8.230 nan 0.000 0.441 288 D N -0.425 120.045 120.400 0.116 0.000 2.264 288 D HA -0.103 4.536 4.640 -0.000 0.000 0.208 288 D C 2.099 178.483 176.300 0.141 0.000 0.966 288 D CA 1.514 55.614 54.000 0.167 0.000 0.864 288 D CB 0.156 41.009 40.800 0.088 0.000 0.933 288 D HN 0.397 nan 8.370 nan 0.000 0.499 289 S N -0.660 115.103 115.700 0.106 0.000 2.540 289 S HA 0.123 4.593 4.470 -0.000 0.000 0.222 289 S C 0.590 175.255 174.600 0.110 0.000 1.008 289 S CA -0.545 57.705 58.200 0.085 0.000 0.939 289 S CB 0.328 63.554 63.200 0.044 0.000 0.865 289 S HN -0.008 nan 8.310 nan 0.000 0.499 290 L N 4.412 125.737 121.223 0.171 0.000 2.369 290 L HA 0.348 4.688 4.340 -0.000 0.000 0.279 290 L C 1.108 178.133 176.870 0.258 0.000 1.108 290 L CA 0.622 55.586 54.840 0.207 0.000 0.852 290 L CB 0.690 42.871 42.059 0.203 0.000 1.169 290 L HN 0.389 nan 8.230 nan 0.000 0.452 291 T N -0.817 113.825 114.554 0.145 0.000 3.163 291 T HA 0.278 4.627 4.350 -0.000 0.000 0.252 291 T C 0.410 175.150 174.700 0.067 0.000 1.056 291 T CA 0.222 62.371 62.100 0.082 0.000 0.947 291 T CB -0.408 68.487 68.868 0.044 0.000 1.016 291 T HN 0.586 nan 8.240 nan 0.000 0.554 292 S N 0.835 116.612 115.700 0.129 0.000 2.618 292 S HA 0.712 5.181 4.470 -0.000 0.000 0.277 292 S C -3.285 171.420 174.600 0.176 0.000 1.138 292 S CA -1.712 56.551 58.200 0.105 0.000 0.844 292 S CB 1.719 64.980 63.200 0.101 0.000 1.127 292 S HN 0.080 nan 8.310 nan 0.000 0.474 293 P HA 0.344 nan 4.420 nan 0.000 0.274 293 P C -0.919 176.421 177.300 0.066 0.000 1.231 293 P CA -0.360 62.783 63.100 0.071 0.000 0.790 293 P CB 0.571 32.197 31.700 -0.124 0.000 0.951 294 V N 2.969 122.904 119.914 0.034 0.000 2.547 294 V HA 0.320 4.440 4.120 -0.000 0.000 0.299 294 V C -0.269 175.746 176.094 -0.131 0.000 1.040 294 V CA -0.369 61.934 62.300 0.004 0.000 0.913 294 V CB 0.704 32.506 31.823 -0.034 0.000 0.992 294 V HN 0.446 nan 8.190 nan 0.000 0.449 295 Y N 2.109 122.456 120.300 0.078 0.000 2.468 295 Y HA 0.734 5.284 4.550 -0.000 0.000 0.342 295 Y C -0.183 175.684 175.900 -0.054 0.000 1.021 295 Y CA -0.848 57.260 58.100 0.013 0.000 1.079 295 Y CB 2.399 40.900 38.460 0.069 0.000 1.226 295 Y HN 0.328 nan 8.280 nan 0.000 0.460 296 V N 4.424 124.365 119.914 0.045 0.000 2.532 296 V HA 0.317 4.436 4.120 -0.000 0.000 0.294 296 V C -0.712 175.320 176.094 -0.103 0.000 1.036 296 V CA -0.814 61.474 62.300 -0.021 0.000 0.876 296 V CB 1.571 33.391 31.823 -0.006 0.000 1.012 296 V HN 0.801 nan 8.190 nan 0.000 0.432 297 M N 4.493 124.005 119.600 -0.146 0.000 2.268 297 M HA 0.860 5.340 4.480 -0.000 0.000 0.344 297 M C -0.190 176.085 176.300 -0.041 0.000 1.106 297 M CA -0.306 54.902 55.300 -0.153 0.000 1.010 297 M CB 1.517 33.956 32.600 -0.268 0.000 1.649 297 M HN 0.753 nan 8.290 nan 0.000 0.443 298 A N 3.837 126.665 122.820 0.014 0.000 2.324 298 A HA 0.907 5.227 4.320 -0.000 0.000 0.330 298 A C -0.999 176.625 177.584 0.067 0.000 1.165 298 A CA -0.669 51.402 52.037 0.058 0.000 0.813 298 A CB 1.058 20.090 19.000 0.054 0.000 1.197 298 A HN 0.959 nan 8.150 nan 0.000 0.484 299 A N 1.737 124.549 122.820 -0.013 0.000 2.319 299 A HA 0.789 5.109 4.320 -0.000 0.000 0.310 299 A C -0.848 176.659 177.584 -0.129 0.000 1.152 299 A CA -0.466 51.395 52.037 -0.293 0.000 0.783 299 A CB 0.380 19.121 19.000 -0.431 0.000 1.184 299 A HN 1.733 nan 8.150 nan 0.000 0.474 300 Y N -0.200 119.920 120.300 -0.299 0.000 2.625 300 Y HA 0.836 5.385 4.550 -0.000 0.000 0.338 300 Y C -1.620 174.170 175.900 -0.184 0.000 1.123 300 Y CA -2.395 55.567 58.100 -0.230 0.000 1.046 300 Y CB 0.698 39.109 38.460 -0.082 0.000 1.299 300 Y HN 0.392 nan 8.280 nan 0.000 0.464 301 F N 1.357 121.377 119.950 0.117 0.000 2.425 301 F HA 0.320 4.847 4.527 -0.000 0.000 0.331 301 F C 0.393 176.338 175.800 0.240 0.000 1.085 301 F CA -0.864 57.203 58.000 0.111 0.000 1.028 301 F CB 1.060 40.088 39.000 0.047 0.000 1.177 301 F HN 0.565 nan 8.300 nan 0.000 0.487 302 D N 1.218 121.912 120.400 0.489 0.000 2.383 302 D HA 0.027 4.667 4.640 -0.000 0.000 0.252 302 D C 1.037 177.463 176.300 0.210 0.000 1.166 302 D CA 0.285 54.460 54.000 0.292 0.000 0.879 302 D CB 1.285 42.228 40.800 0.239 0.000 1.164 302 D HN 0.641 nan 8.370 nan 0.000 0.462 303 S N 2.134 117.928 115.700 0.157 0.000 2.354 303 S HA -0.191 4.279 4.470 -0.000 0.000 0.219 303 S C 1.099 175.760 174.600 0.102 0.000 1.035 303 S CA 1.194 59.463 58.200 0.114 0.000 1.037 303 S CB -1.353 61.892 63.200 0.076 0.000 0.956 303 S HN 0.707 nan 8.310 nan 0.000 0.428 304 T N 1.412 116.017 114.554 0.086 0.000 2.298 304 T HA -0.170 4.180 4.350 -0.000 0.000 0.188 304 T C 0.072 174.836 174.700 0.107 0.000 1.147 304 T CA 0.605 62.758 62.100 0.088 0.000 2.896 304 T CB -1.498 67.409 68.868 0.065 0.000 0.898 304 T HN 0.562 nan 8.240 nan 0.000 0.347 305 H N 2.872 121.954 119.070 0.019 0.000 3.190 305 H HA 0.065 4.621 4.556 -0.000 0.000 0.308 305 H C 0.868 176.201 175.328 0.008 0.000 0.972 305 H CA 1.374 57.428 56.048 0.010 0.000 1.349 305 H CB 0.568 30.334 29.762 0.007 0.000 1.267 305 H HN 0.877 nan 8.280 nan 0.000 0.584 306 E N 3.672 123.584 120.200 -0.480 0.000 2.568 306 E HA 0.135 4.485 4.350 -0.000 0.000 0.242 306 E C -0.469 175.871 176.600 -0.433 0.000 0.945 306 E CA -1.044 55.159 56.400 -0.329 0.000 0.918 306 E CB 0.463 30.036 29.700 -0.212 0.000 1.386 306 E HN 0.597 nan 8.360 nan 0.000 0.426 307 N N 1.048 119.616 118.700 -0.219 0.000 2.411 307 N HA 0.133 4.873 4.740 -0.000 0.000 0.259 307 N C -1.932 173.493 175.510 -0.142 0.000 1.103 307 N CA -1.675 51.288 53.050 -0.144 0.000 0.954 307 N CB 0.977 39.418 38.487 -0.076 0.000 1.085 307 N HN 0.127 nan 8.380 nan 0.000 0.485 308 P HA -0.117 nan 4.420 nan 0.000 0.221 308 P C 1.225 178.498 177.300 -0.044 0.000 1.145 308 P CA 0.703 63.766 63.100 -0.062 0.000 0.795 308 P CB 0.507 32.212 31.700 0.008 0.000 0.775 309 V N -1.087 118.805 119.914 -0.038 0.000 2.591 309 V HA -0.051 4.069 4.120 -0.000 0.000 0.249 309 V C 1.590 177.660 176.094 -0.039 0.000 1.053 309 V CA 1.157 63.440 62.300 -0.029 0.000 1.068 309 V CB -0.650 31.161 31.823 -0.019 0.000 0.689 309 V HN 0.048 nan 8.190 nan 0.000 0.462 310 R N 0.156 120.624 120.500 -0.053 0.000 2.674 310 R HA 0.250 4.590 4.340 -0.000 0.000 0.270 310 R C -2.387 173.866 176.300 -0.079 0.000 1.492 310 R CA -1.317 54.749 56.100 -0.056 0.000 1.624 310 R CB 0.997 31.270 30.300 -0.045 0.000 1.307 310 R HN 0.224 nan 8.270 nan 0.000 0.683 311 P HA -0.047 nan 4.420 nan 0.000 0.301 311 P C -0.635 176.586 177.300 -0.131 0.000 1.445 311 P CA 0.623 63.648 63.100 -0.125 0.000 0.741 311 P CB -0.004 31.621 31.700 -0.124 0.000 1.426 312 S N 0.026 115.665 115.700 -0.101 0.000 2.714 312 S HA 0.091 4.561 4.470 -0.000 0.000 0.318 312 S C 0.604 175.146 174.600 -0.097 0.000 1.219 312 S CA 0.392 58.536 58.200 -0.093 0.000 1.175 312 S CB -0.502 62.659 63.200 -0.065 0.000 0.961 312 S HN 0.098 nan 8.310 nan 0.000 0.518 313 S N 2.975 118.594 115.700 -0.135 0.000 2.500 313 S HA 0.456 4.926 4.470 -0.000 0.000 0.301 313 S C -0.424 174.156 174.600 -0.032 0.000 1.092 313 S CA -0.911 57.221 58.200 -0.114 0.000 1.030 313 S CB 0.849 63.889 63.200 -0.266 0.000 1.031 313 S HN 0.639 nan 8.310 nan 0.000 0.483 314 K N 2.165 122.577 120.400 0.018 0.000 2.118 314 K HA 0.454 4.773 4.320 -0.000 0.000 0.264 314 K C -0.956 175.598 176.600 -0.076 0.000 1.000 314 K CA -0.684 55.541 56.287 -0.104 0.000 0.929 314 K CB 0.851 33.155 32.500 -0.327 0.000 1.021 314 K HN 0.479 nan 8.250 nan 0.000 0.463 315 L N 3.561 124.634 121.223 -0.250 0.000 2.295 315 L HA 0.355 4.695 4.340 -0.000 0.000 0.285 315 L C -1.513 174.972 176.870 -0.642 0.000 1.035 315 L CA -0.110 54.467 54.840 -0.439 0.000 0.806 315 L CB 0.541 42.382 42.059 -0.363 0.000 1.214 315 L HN 0.462 nan 8.230 nan 0.000 0.426 316 Y N 2.955 122.896 120.300 -0.600 0.000 2.528 316 Y HA 0.605 5.155 4.550 -0.000 0.000 0.335 316 Y C -0.516 175.012 175.900 -0.620 0.000 1.093 316 Y CA -0.458 57.285 58.100 -0.594 0.000 1.134 316 Y CB 1.603 39.470 38.460 -0.988 0.000 1.253 316 Y HN 0.572 nan 8.280 nan 0.000 0.478 317 H N 0.066 119.143 119.070 0.012 0.000 2.667 317 H HA 0.637 5.192 4.556 -0.000 0.000 0.353 317 H C -1.251 174.211 175.328 0.224 0.000 1.072 317 H CA -1.150 54.974 56.048 0.127 0.000 1.214 317 H CB 1.331 31.199 29.762 0.178 0.000 1.600 317 H HN 0.818 nan 8.280 nan 0.000 0.527 318 c N 1.605 120.392 118.600 0.310 0.000 2.686 318 c HA 0.972 5.542 4.570 -0.000 0.000 0.318 318 c C -0.173 173.969 174.090 0.086 0.000 1.160 318 c CA -0.932 55.532 56.329 0.225 0.000 1.396 318 c CB 0.326 42.969 42.510 0.222 0.000 1.924 318 c HN 0.974 nan 8.230 nan 0.000 0.471 319 A N 3.886 126.725 122.820 0.032 0.000 2.342 319 A HA 0.860 5.180 4.320 -0.000 0.000 0.323 319 A C -0.739 176.844 177.584 -0.003 0.000 1.125 319 A CA -0.581 51.374 52.037 -0.136 0.000 0.785 319 A CB 0.694 19.364 19.000 -0.549 0.000 1.221 319 A HN 0.998 nan 8.150 nan 0.000 0.463 320 L N 1.108 122.327 121.223 -0.007 0.000 2.334 320 L HA 0.623 4.962 4.340 -0.000 0.000 0.272 320 L C 0.108 176.997 176.870 0.031 0.000 1.020 320 L CA -0.556 54.300 54.840 0.027 0.000 0.812 320 L CB 1.822 43.881 42.059 0.000 0.000 1.264 320 L HN 0.847 nan 8.230 nan 0.000 0.439 321 Q N 2.242 122.031 119.800 -0.018 0.000 2.304 321 Q HA 0.467 4.806 4.340 -0.000 0.000 0.270 321 Q C -1.460 174.475 176.000 -0.107 0.000 1.035 321 Q CA -0.799 54.888 55.803 -0.193 0.000 0.781 321 Q CB 2.398 30.998 28.738 -0.230 0.000 1.261 321 Q HN 0.526 nan 8.270 nan 0.000 0.444 322 M N 3.020 122.567 119.600 -0.087 0.000 2.205 322 M HA 0.420 4.900 4.480 -0.000 0.000 0.344 322 M C -1.173 175.230 176.300 0.173 0.000 1.085 322 M CA 0.028 55.388 55.300 0.100 0.000 1.001 322 M CB 1.608 34.299 32.600 0.152 0.000 1.626 322 M HN 0.587 nan 8.290 nan 0.000 0.442 323 T N 0.792 115.343 114.554 -0.005 0.000 2.876 323 T HA 0.565 4.915 4.350 -0.000 0.000 0.289 323 T C -0.422 173.682 174.700 -0.994 0.000 1.014 323 T CA -0.961 60.875 62.100 -0.440 0.000 0.986 323 T CB 1.491 70.045 68.868 -0.524 0.000 1.021 323 T HN 0.591 nan 8.240 nan 0.000 0.458 324 S N 1.983 116.713 115.700 -1.618 0.000 2.411 324 S HA 0.203 4.673 4.470 -0.000 0.000 0.304 324 S C -0.615 173.442 174.600 -0.904 0.000 1.098 324 S CA -0.627 56.515 58.200 -1.764 0.000 1.068 324 S CB -0.655 61.472 63.200 -1.788 0.000 1.032 324 S HN 0.700 nan 8.310 nan 0.000 0.511 325 H N 4.315 123.102 119.070 -0.471 0.000 2.700 325 H HA 0.269 4.825 4.556 -0.000 0.000 0.269 325 H C 0.167 175.380 175.328 -0.193 0.000 1.222 325 H CA -0.105 55.788 56.048 -0.258 0.000 1.254 325 H CB 0.314 29.973 29.762 -0.172 0.000 1.413 325 H HN 0.796 nan 8.280 nan 0.000 0.507 326 D N 2.286 122.647 120.400 -0.065 0.000 2.947 326 D HA -0.160 4.480 4.640 -0.000 0.000 0.224 326 D C 1.257 177.522 176.300 -0.057 0.000 1.132 326 D CA 1.423 55.394 54.000 -0.049 0.000 0.801 326 D CB -1.067 39.721 40.800 -0.020 0.000 1.097 326 D HN 1.005 nan 8.370 nan 0.000 0.431 327 G N -1.977 106.754 108.800 -0.116 0.000 2.217 327 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.246 327 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.246 327 G C 0.300 175.196 174.900 -0.006 0.000 0.990 327 G CA 0.311 45.384 45.100 -0.045 0.000 0.627 327 G HN 0.781 nan 8.290 nan 0.000 0.522 328 V N 0.856 120.729 119.914 -0.069 0.000 2.347 328 V HA 0.600 4.720 4.120 -0.000 0.000 0.280 328 V C -0.054 176.005 176.094 -0.058 0.000 1.021 328 V CA -0.788 61.525 62.300 0.022 0.000 0.847 328 V CB 0.820 32.664 31.823 0.036 0.000 0.990 328 V HN 0.279 nan 8.190 nan 0.000 0.444 329 W N 3.674 124.962 121.300 -0.020 0.000 2.322 329 W HA 0.602 5.261 4.660 -0.000 0.000 0.307 329 W C 0.694 177.197 176.519 -0.026 0.000 1.220 329 W CA -0.244 57.072 57.345 -0.048 0.000 1.210 329 W CB 1.343 30.770 29.460 -0.056 0.000 1.223 329 W HN 0.645 nan 8.180 nan 0.000 0.511 330 T N -0.540 114.103 114.554 0.149 0.000 2.916 330 T HA 0.804 5.154 4.350 -0.000 0.000 0.292 330 T C -0.134 174.621 174.700 0.092 0.000 1.055 330 T CA -0.983 61.187 62.100 0.117 0.000 1.009 330 T CB 1.650 70.592 68.868 0.125 0.000 1.118 330 T HN 0.350 nan 8.240 nan 0.000 0.497 331 S N 0.181 115.923 115.700 0.069 0.000 2.715 331 S HA 0.801 5.271 4.470 -0.000 0.000 0.307 331 S C 0.305 174.929 174.600 0.040 0.000 1.119 331 S CA -0.426 57.801 58.200 0.045 0.000 0.937 331 S CB 1.174 64.393 63.200 0.032 0.000 1.150 331 S HN 1.253 nan 8.310 nan 0.000 0.521 332 T N -0.379 114.195 114.554 0.033 0.000 2.788 332 T HA 0.505 4.855 4.350 -0.000 0.000 0.280 332 T C 0.542 175.262 174.700 0.033 0.000 0.984 332 T CA -0.127 61.999 62.100 0.043 0.000 0.972 332 T CB 0.143 69.046 68.868 0.059 0.000 1.039 332 T HN 1.302 nan 8.240 nan 0.000 0.530 333 S N 0.475 116.196 115.700 0.034 0.000 2.564 333 S HA 0.284 4.753 4.470 -0.000 0.000 0.278 333 S C 0.641 175.252 174.600 0.017 0.000 1.333 333 S CA -0.365 57.848 58.200 0.021 0.000 1.048 333 S CB 0.458 63.670 63.200 0.021 0.000 0.900 333 S HN 1.151 nan 8.310 nan 0.000 0.505 334 S N 0.916 116.615 115.700 -0.000 0.000 2.577 334 S HA 0.221 4.690 4.470 -0.000 0.000 0.239 334 S C 0.824 175.409 174.600 -0.026 0.000 1.236 334 S CA -0.433 57.758 58.200 -0.015 0.000 1.233 334 S CB 0.053 63.233 63.200 -0.033 0.000 0.908 334 S HN 0.785 nan 8.310 nan 0.000 0.493 335 E N 2.555 122.751 120.200 -0.008 0.000 2.160 335 E HA -0.261 4.089 4.350 -0.000 0.000 0.237 335 E C 1.116 177.696 176.600 -0.033 0.000 1.069 335 E CA 2.034 58.428 56.400 -0.011 0.000 0.950 335 E CB -0.162 29.544 29.700 0.008 0.000 0.832 335 E HN 0.608 nan 8.360 nan 0.000 0.496 336 Q N -1.171 118.609 119.800 -0.033 0.000 2.157 336 Q HA 0.196 4.536 4.340 -0.000 0.000 0.229 336 Q C -0.709 175.202 176.000 -0.148 0.000 0.827 336 Q CA -0.133 55.628 55.803 -0.070 0.000 1.055 336 Q CB 0.335 29.053 28.738 -0.034 0.000 1.157 336 Q HN 0.210 nan 8.270 nan 0.000 0.482 337 c N 3.271 121.787 118.600 -0.141 0.000 2.347 337 c HA 0.299 4.869 4.570 -0.000 0.000 0.353 337 c C -0.762 173.155 174.090 -0.288 0.000 1.273 337 c CA -1.648 54.549 56.329 -0.219 0.000 1.861 337 c CB 0.559 43.018 42.510 -0.084 0.000 2.420 337 c HN 0.324 nan 8.230 nan 0.000 0.542 338 P HA -0.068 nan 4.420 nan 0.000 0.225 338 P C 0.086 177.264 177.300 -0.204 0.000 1.148 338 P CA 1.217 64.112 63.100 -0.343 0.000 0.779 338 P CB -0.119 31.317 31.700 -0.441 0.000 0.780 339 I N -2.167 118.304 120.570 -0.165 0.000 2.750 339 I HA 0.638 4.808 4.170 -0.000 0.000 0.308 339 I C 0.011 176.085 176.117 -0.071 0.000 1.016 339 I CA -1.639 59.601 61.300 -0.100 0.000 1.098 339 I CB 2.037 39.994 38.000 -0.071 0.000 1.279 339 I HN -0.225 nan 8.210 nan 0.000 0.454 340 R N 3.909 124.380 120.500 -0.048 0.000 2.740 340 R HA 0.727 5.067 4.340 -0.000 0.000 0.273 340 R C -2.054 174.233 176.300 -0.021 0.000 0.998 340 R CA -0.984 55.096 56.100 -0.033 0.000 0.900 340 R CB 1.556 31.835 30.300 -0.036 0.000 1.223 340 R HN 0.710 nan 8.270 nan 0.000 0.466 341 L N 2.744 123.959 121.223 -0.014 0.000 2.295 341 L HA 0.665 5.004 4.340 -0.000 0.000 0.285 341 L C 0.151 177.018 176.870 -0.004 0.000 1.035 341 L CA -1.070 53.765 54.840 -0.010 0.000 0.806 341 L CB 1.631 43.687 42.059 -0.006 0.000 1.214 341 L HN 0.645 nan 8.230 nan 0.000 0.426 342 V N -0.298 119.610 119.914 -0.009 0.000 3.158 342 V HA 0.544 4.664 4.120 -0.000 0.000 0.311 342 V C -0.572 175.518 176.094 -0.007 0.000 1.181 342 V CA -0.927 61.369 62.300 -0.007 0.000 1.054 342 V CB 1.980 33.789 31.823 -0.023 0.000 1.085 342 V HN 0.822 nan 8.190 nan 0.000 0.446 343 E N 0.747 120.947 120.200 0.001 0.000 2.313 343 E HA 0.519 4.869 4.350 -0.000 0.000 0.276 343 E C 0.634 177.225 176.600 -0.016 0.000 1.031 343 E CA 0.227 56.627 56.400 -0.000 0.000 0.857 343 E CB 1.340 31.056 29.700 0.025 0.000 1.040 343 E HN 1.089 nan 8.360 nan 0.000 0.408 344 G N 2.284 111.065 108.800 -0.032 0.000 2.608 344 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.212 344 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.212 344 G C 0.660 175.549 174.900 -0.018 0.000 1.572 344 G CA -0.058 45.024 45.100 -0.030 0.000 1.064 344 G HN 0.566 nan 8.290 nan 0.000 0.556 345 Q N -0.670 119.119 119.800 -0.019 0.000 2.172 345 Q HA 0.047 4.387 4.340 -0.000 0.000 0.200 345 Q C 1.694 177.689 176.000 -0.008 0.000 0.964 345 Q CA 1.057 56.853 55.803 -0.011 0.000 0.855 345 Q CB -0.148 28.582 28.738 -0.012 0.000 0.918 345 Q HN 0.555 nan 8.270 nan 0.000 0.444 346 S N -1.963 113.730 115.700 -0.013 0.000 2.810 346 S HA 0.333 4.803 4.470 -0.000 0.000 0.315 346 S C 0.652 175.257 174.600 0.007 0.000 1.138 346 S CA -0.751 57.448 58.200 -0.001 0.000 0.889 346 S CB 0.964 64.161 63.200 -0.004 0.000 1.236 346 S HN 0.054 nan 8.310 nan 0.000 0.548 347 Q N 0.040 119.862 119.800 0.037 0.000 2.435 347 Q HA 0.046 4.385 4.340 -0.000 0.000 0.207 347 Q C 1.165 177.195 176.000 0.050 0.000 0.956 347 Q CA 0.702 56.559 55.803 0.090 0.000 0.917 347 Q CB -0.365 28.455 28.738 0.137 0.000 0.997 347 Q HN 0.723 nan 8.270 nan 0.000 0.497 348 N N -0.177 118.518 118.700 -0.008 0.000 2.457 348 N HA -0.038 4.702 4.740 -0.000 0.000 0.180 348 N C -0.282 175.128 175.510 -0.167 0.000 1.050 348 N CA 0.288 53.295 53.050 -0.071 0.000 0.906 348 N CB 0.597 39.063 38.487 -0.036 0.000 0.968 348 N HN -0.111 nan 8.380 nan 0.000 0.445 349 V N 1.121 120.954 119.914 -0.136 0.000 2.769 349 V HA 0.541 4.661 4.120 -0.000 0.000 0.312 349 V C -0.460 175.535 176.094 -0.166 0.000 1.058 349 V CA -1.024 61.186 62.300 -0.149 0.000 0.952 349 V CB 1.665 33.436 31.823 -0.088 0.000 1.019 349 V HN 0.160 nan 8.190 nan 0.000 0.445 350 L N 2.519 123.639 121.223 -0.172 0.000 2.409 350 L HA 0.754 5.093 4.340 -0.000 0.000 0.262 350 L C -0.938 175.878 176.870 -0.090 0.000 0.992 350 L CA -0.203 54.551 54.840 -0.143 0.000 0.817 350 L CB 2.363 44.289 42.059 -0.223 0.000 1.350 350 L HN 0.733 nan 8.230 nan 0.000 0.411 351 Q N 2.193 121.961 119.800 -0.054 0.000 2.413 351 Q HA 0.718 5.058 4.340 -0.000 0.000 0.276 351 Q C -1.437 174.552 176.000 -0.019 0.000 1.099 351 Q CA -1.207 54.578 55.803 -0.029 0.000 0.814 351 Q CB 3.057 31.792 28.738 -0.004 0.000 1.379 351 Q HN 0.574 nan 8.270 nan 0.000 0.436 352 V N 2.315 122.222 119.914 -0.012 0.000 2.350 352 V HA 0.385 4.504 4.120 -0.000 0.000 0.276 352 V C -0.145 175.947 176.094 -0.003 0.000 1.028 352 V CA -0.397 61.898 62.300 -0.008 0.000 0.860 352 V CB 0.840 32.662 31.823 -0.001 0.000 0.990 352 V HN 0.576 nan 8.190 nan 0.000 0.453 353 R N 2.938 123.439 120.500 0.001 0.000 2.668 353 R HA 0.882 5.222 4.340 -0.000 0.000 0.279 353 R C -1.212 175.072 176.300 -0.027 0.000 0.976 353 R CA -0.669 55.443 56.100 0.019 0.000 0.978 353 R CB 2.435 32.782 30.300 0.078 0.000 1.133 353 R HN 0.480 nan 8.270 nan 0.000 0.484 354 V N 0.583 120.468 119.914 -0.049 0.000 3.120 354 V HA 0.609 4.729 4.120 -0.000 0.000 0.303 354 V C -1.336 174.691 176.094 -0.110 0.000 1.238 354 V CA -0.676 61.566 62.300 -0.097 0.000 1.008 354 V CB 2.240 33.977 31.823 -0.142 0.000 1.064 354 V HN 0.933 nan 8.190 nan 0.000 0.434 355 A N 5.737 128.489 122.820 -0.115 0.000 2.366 355 A HA 0.656 4.976 4.320 -0.000 0.000 0.272 355 A C -1.856 175.627 177.584 -0.169 0.000 1.135 355 A CA -1.101 50.866 52.037 -0.118 0.000 0.804 355 A CB 0.555 19.502 19.000 -0.089 0.000 1.064 355 A HN 0.744 nan 8.150 nan 0.000 0.499 356 P HA -0.198 nan 4.420 nan 0.000 0.216 356 P C 1.763 179.006 177.300 -0.095 0.000 1.150 356 P CA 2.077 64.981 63.100 -0.326 0.000 0.843 356 P CB 0.136 31.504 31.700 -0.553 0.000 0.787 357 T N -1.055 113.462 114.554 -0.061 0.000 2.822 357 T HA -0.133 4.217 4.350 -0.000 0.000 0.270 357 T C 1.517 176.197 174.700 -0.033 0.000 1.064 357 T CA 1.911 64.001 62.100 -0.017 0.000 1.131 357 T CB -0.769 68.086 68.868 -0.020 0.000 0.858 357 T HN 0.196 nan 8.240 nan 0.000 0.483 358 S N -0.145 115.512 115.700 -0.072 0.000 2.605 358 S HA 0.223 4.693 4.470 -0.000 0.000 0.217 358 S C 1.788 176.329 174.600 -0.099 0.000 0.958 358 S CA -0.310 57.842 58.200 -0.081 0.000 0.919 358 S CB -0.143 62.986 63.200 -0.118 0.000 0.780 358 S HN 0.258 nan 8.310 nan 0.000 0.507 359 M N 1.944 121.479 119.600 -0.109 0.000 2.132 359 M HA 0.121 4.601 4.480 -0.000 0.000 0.263 359 M C -0.997 175.215 176.300 -0.145 0.000 1.065 359 M CA 0.357 55.559 55.300 -0.164 0.000 1.122 359 M CB -2.509 30.013 32.600 -0.130 0.000 1.365 359 M HN 0.163 nan 8.290 nan 0.000 0.411 360 P HA -0.142 nan 4.420 nan 0.000 0.216 360 P C 0.609 177.897 177.300 -0.019 0.000 1.150 360 P CA 1.387 64.438 63.100 -0.083 0.000 0.843 360 P CB -0.181 31.507 31.700 -0.020 0.000 0.787 361 N N -1.570 117.153 118.700 0.038 0.000 2.280 361 N HA 0.070 4.809 4.740 -0.000 0.000 0.192 361 N C -0.026 175.568 175.510 0.141 0.000 1.109 361 N CA -0.474 52.669 53.050 0.154 0.000 0.855 361 N CB 0.040 38.648 38.487 0.202 0.000 0.974 361 N HN 0.047 nan 8.380 nan 0.000 0.482 362 L N 1.342 122.581 121.223 0.026 0.000 2.319 362 L HA 0.143 4.482 4.340 -0.000 0.000 0.280 362 L C 0.836 177.754 176.870 0.080 0.000 1.099 362 L CA 0.240 55.086 54.840 0.010 0.000 0.828 362 L CB 1.385 43.348 42.059 -0.160 0.000 1.150 362 L HN -0.199 nan 8.230 nan 0.000 0.442 363 V N 3.888 123.853 119.914 0.085 0.000 2.575 363 V HA 0.524 4.643 4.120 -0.000 0.000 0.242 363 V C 0.971 177.306 176.094 0.403 0.000 1.045 363 V CA 0.824 63.205 62.300 0.135 0.000 1.065 363 V CB -0.247 31.441 31.823 -0.224 0.000 0.717 363 V HN 0.961 nan 8.190 nan 0.000 0.467 364 G N -0.572 108.418 108.800 0.317 0.000 2.387 364 G HA2 0.505 4.465 3.960 -0.000 0.000 0.294 364 G HA3 0.505 4.465 3.960 -0.000 0.000 0.294 364 G C -1.779 173.243 174.900 0.204 0.000 1.509 364 G CA 0.165 45.454 45.100 0.315 0.000 0.806 364 G HN 0.636 nan 8.290 nan 0.000 0.546 365 V N -1.756 118.267 119.914 0.182 0.000 2.735 365 V HA 0.954 5.074 4.120 -0.000 0.000 0.310 365 V C -0.314 175.802 176.094 0.036 0.000 1.061 365 V CA -0.738 61.625 62.300 0.104 0.000 0.913 365 V CB 1.760 33.669 31.823 0.143 0.000 1.005 365 V HN 0.999 nan 8.190 nan 0.000 0.428 366 S N 4.858 120.560 115.700 0.003 0.000 2.473 366 S HA 0.790 5.260 4.470 -0.000 0.000 0.307 366 S C -0.853 173.761 174.600 0.024 0.000 1.094 366 S CA -0.473 57.724 58.200 -0.005 0.000 1.070 366 S CB 1.443 64.600 63.200 -0.070 0.000 1.019 366 S HN 0.961 nan 8.310 nan 0.000 0.480 367 L N 3.763 125.033 121.223 0.078 0.000 2.307 367 L HA 0.697 5.037 4.340 -0.000 0.000 0.284 367 L C -1.106 175.833 176.870 0.114 0.000 1.023 367 L CA -0.177 54.728 54.840 0.109 0.000 0.810 367 L CB 0.924 43.082 42.059 0.165 0.000 1.231 367 L HN 0.715 nan 8.230 nan 0.000 0.423 368 M N 7.235 126.922 119.600 0.146 0.000 2.327 368 M HA 0.686 5.166 4.480 -0.000 0.000 0.298 368 M C -1.080 175.338 176.300 0.196 0.000 1.065 368 M CA -0.386 55.023 55.300 0.182 0.000 0.916 368 M CB 2.032 34.809 32.600 0.295 0.000 1.630 368 M HN 0.608 nan 8.290 nan 0.000 0.442 369 L N -1.298 120.009 121.223 0.140 0.000 2.963 369 L HA 0.739 5.079 4.340 -0.000 0.000 0.273 369 L C -0.776 176.149 176.870 0.092 0.000 1.078 369 L CA -1.219 53.697 54.840 0.127 0.000 0.970 369 L CB 1.172 43.279 42.059 0.081 0.000 1.564 369 L HN 0.445 nan 8.230 nan 0.000 0.381 370 E N 0.798 121.048 120.200 0.083 0.000 2.498 370 E HA 0.383 4.733 4.350 -0.000 0.000 0.252 370 E C 1.010 177.634 176.600 0.039 0.000 1.025 370 E CA 1.769 58.205 56.400 0.060 0.000 0.938 370 E CB 0.095 29.831 29.700 0.060 0.000 0.947 370 E HN 1.008 nan 8.360 nan 0.000 0.478 371 G N 3.913 112.727 108.800 0.024 0.000 2.212 371 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.266 371 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.266 371 G C -0.011 174.878 174.900 -0.018 0.000 0.978 371 G CA 0.686 45.792 45.100 0.010 0.000 0.632 371 G HN 0.563 nan 8.290 nan 0.000 0.537 372 Q N -0.865 118.911 119.800 -0.040 0.000 2.389 372 Q HA 0.685 5.025 4.340 -0.000 0.000 0.277 372 Q C -0.768 175.079 176.000 -0.256 0.000 1.082 372 Q CA -0.700 54.994 55.803 -0.181 0.000 0.810 372 Q CB 2.185 30.867 28.738 -0.094 0.000 1.374 372 Q HN 0.336 nan 8.270 nan 0.000 0.422 373 Q N 1.747 121.234 119.800 -0.523 0.000 2.263 373 Q HA 0.417 4.757 4.340 -0.000 0.000 0.262 373 Q C -2.023 173.608 176.000 -0.614 0.000 0.984 373 Q CA -0.460 55.134 55.803 -0.348 0.000 0.813 373 Q CB 1.396 30.090 28.738 -0.072 0.000 1.299 373 Q HN 0.660 nan 8.270 nan 0.000 0.428 374 Y N 1.967 122.281 120.300 0.024 0.000 2.326 374 Y HA 0.397 4.947 4.550 -0.000 0.000 0.331 374 Y C -0.318 175.561 175.900 -0.035 0.000 0.962 374 Y CA -0.789 57.305 58.100 -0.011 0.000 1.167 374 Y CB 1.677 40.126 38.460 -0.017 0.000 1.148 374 Y HN 0.514 nan 8.280 nan 0.000 0.463 375 R N 3.985 124.521 120.500 0.060 0.000 2.204 375 R HA 0.480 4.820 4.340 -0.000 0.000 0.341 375 R C -1.659 174.612 176.300 -0.048 0.000 1.035 375 R CA -0.633 55.458 56.100 -0.014 0.000 0.887 375 R CB 0.158 30.428 30.300 -0.049 0.000 1.114 375 R HN 0.547 nan 8.270 nan 0.000 0.473 376 L N 4.104 125.280 121.223 -0.078 0.000 2.265 376 L HA 0.342 4.682 4.340 -0.000 0.000 0.288 376 L C -0.057 176.601 176.870 -0.353 0.000 1.058 376 L CA 0.206 54.911 54.840 -0.225 0.000 0.809 376 L CB 1.469 43.402 42.059 -0.209 0.000 1.179 376 L HN 0.615 nan 8.230 nan 0.000 0.429 377 E N 2.669 122.595 120.200 -0.457 0.000 2.199 377 E HA 0.233 4.583 4.350 -0.000 0.000 0.269 377 E C -0.660 175.608 176.600 -0.555 0.000 0.899 377 E CA -0.450 55.699 56.400 -0.419 0.000 0.772 377 E CB 1.487 30.878 29.700 -0.515 0.000 1.155 377 E HN 0.414 nan 8.360 nan 0.000 0.408 378 Y N 1.021 121.384 120.300 0.105 0.000 2.457 378 Y HA 0.126 4.676 4.550 -0.000 0.000 0.263 378 Y C 0.273 176.371 175.900 0.330 0.000 1.164 378 Y CA -0.300 57.891 58.100 0.152 0.000 1.274 378 Y CB 0.161 38.686 38.460 0.108 0.000 1.097 378 Y HN 0.418 nan 8.280 nan 0.000 0.523 379 F N -1.456 118.631 119.950 0.227 0.000 2.613 379 F HA 0.896 5.423 4.527 -0.000 0.000 0.342 379 F C 0.473 176.353 175.800 0.132 0.000 1.066 379 F CA -1.760 56.392 58.000 0.253 0.000 1.002 379 F CB 0.740 39.876 39.000 0.227 0.000 1.319 379 F HN -0.059 nan 8.300 nan 0.000 0.495 380 G N 1.087 109.922 108.800 0.058 0.000 2.721 380 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.686 380 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.686 380 G C -0.763 174.116 174.900 -0.035 0.000 1.236 380 G CA -0.261 44.788 45.100 -0.085 0.000 0.786 380 G HN 0.921 nan 8.290 nan 0.000 0.616 381 D N 0.751 121.182 120.400 0.051 0.000 2.431 381 D HA 0.139 4.779 4.640 -0.000 0.000 0.213 381 D C 1.028 177.404 176.300 0.126 0.000 1.130 381 D CA 1.263 55.297 54.000 0.057 0.000 0.834 381 D CB 0.380 41.203 40.800 0.039 0.000 0.985 381 D HN 0.842 nan 8.370 nan 0.000 0.504 382 H N 0.000 119.029 119.070 -0.069 0.000 2.539 382 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 382 H CA 0.000 56.013 56.048 -0.058 0.000 1.023 382 H CB 0.000 29.743 29.762 -0.032 0.000 1.292 382 H HN 0.000 nan 8.280 nan 0.000 0.496