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 3ogk_1_F DATA FIRST_RESID 12 DATA SEQUENCE SCVATVDDVI EQVMTYITDP KDRDSASLVC RRWFKIDSET REHVTMALCY DATA SEQUENCE TATPDRLSRR FPNLRSLKLK GKPRAAMFNL IPENWGGYVT PWVTEISNNL DATA SEQUENCE RQLKSVHFRR MIVSDLDLDR LAKARADDLE TLKLDKCSGF TTDGLLSIVT DATA SEQUENCE HCRKIKTLLM EESSFSEKDG KWLHELAQHN TSLEVLNFYM TEFAKISPKD DATA SEQUENCE LETIARNCRS LVSVKVGDFE ILELVGFFKA AANLEEFCGG SLNEDIGMPE DATA SEQUENCE KYMNLVFPRK LCRLGLSYMG PNEMPILFPF AAQIRKLDLL YALLETEDHC DATA SEQUENCE TLIQKCPNLE VLETRNVIGD RGLEVLAQYC KQLKRLRIER GADEQGMEDE DATA SEQUENCE EGLVSQRGLI ALAQGCQELE YMAVYVSDIT NESLESIGTY LKNLCDFRLV DATA SEQUENCE LLDREERITD LPLDNGVRSL LIGCKKLRRF AFYLRQGGLT DLGLSYIGQY DATA SEQUENCE SPNVRWMLLG YVGESDEGLM EFSRGCPNLQ KLEMRGCCFS ERAIAAAVTK DATA SEQUENCE LPSLRYLWVQ GYRASMTGQD LMQMARPYWN IELIPSRXXX XXXXXXXXXX DATA SEQUENCE XXHPAHILAY YSLAGQRTDC PTTVRVLKEP I 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 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.605 174.600 0.008 0.000 1.055 12 S CA 0.000 58.204 58.200 0.007 0.000 1.107 12 S CB 0.000 63.204 63.200 0.006 0.000 0.593 13 C N 3.080 122.385 119.300 0.009 0.000 2.822 13 C HA 0.839 5.298 4.460 -0.001 0.000 0.341 13 C C 0.389 175.386 174.990 0.011 0.000 1.301 13 C CA -0.335 58.689 59.018 0.010 0.000 1.706 13 C CB 1.218 28.965 27.740 0.012 0.000 2.178 13 C HN 1.067 nan 8.230 nan 0.000 0.481 14 V N 3.366 123.287 119.914 0.012 0.000 2.625 14 V HA 0.242 4.362 4.120 -0.001 0.000 0.305 14 V C 0.995 177.098 176.094 0.016 0.000 1.055 14 V CA 0.625 62.933 62.300 0.013 0.000 1.209 14 V CB -0.867 30.965 31.823 0.014 0.000 0.877 14 V HN 1.043 nan 8.190 nan 0.000 0.489 15 A N 5.023 127.853 122.820 0.015 0.000 2.409 15 A HA 0.558 4.877 4.320 -0.001 0.000 0.267 15 A C 0.692 178.292 177.584 0.026 0.000 1.127 15 A CA -0.257 51.791 52.037 0.018 0.000 0.795 15 A CB -0.049 18.958 19.000 0.013 0.000 1.061 15 A HN 0.916 nan 8.150 nan 0.000 0.502 16 T N 1.505 116.080 114.554 0.035 0.000 2.897 16 T HA 0.353 4.702 4.350 -0.001 0.000 0.278 16 T C 1.685 176.422 174.700 0.063 0.000 0.981 16 T CA -0.253 61.877 62.100 0.050 0.000 0.973 16 T CB 1.137 70.041 68.868 0.061 0.000 1.092 16 T HN 0.423 nan 8.240 nan 0.000 0.543 17 V N 0.137 120.109 119.914 0.096 0.000 2.490 17 V HA -0.150 3.969 4.120 -0.001 0.000 0.250 17 V C 2.201 178.369 176.094 0.124 0.000 1.061 17 V CA 1.929 64.306 62.300 0.128 0.000 1.064 17 V CB -0.958 31.009 31.823 0.240 0.000 0.670 17 V HN 0.906 nan 8.190 nan 0.000 0.461 18 D N 0.400 120.888 120.400 0.146 0.000 2.221 18 D HA -0.188 4.451 4.640 -0.001 0.000 0.204 18 D C 1.658 177.992 176.300 0.056 0.000 0.982 18 D CA 1.109 55.187 54.000 0.130 0.000 0.857 18 D CB -0.137 40.741 40.800 0.131 0.000 0.934 18 D HN 0.432 nan 8.370 nan 0.000 0.475 19 D N -0.689 119.736 120.400 0.041 0.000 2.363 19 D HA -0.025 4.615 4.640 -0.001 0.000 0.226 19 D C 0.987 177.286 176.300 -0.002 0.000 1.020 19 D CA 0.240 54.251 54.000 0.019 0.000 0.892 19 D CB 1.190 42.001 40.800 0.019 0.000 0.900 19 D HN 0.151 nan 8.370 nan 0.000 0.531 20 V N 0.119 120.024 119.914 -0.016 0.000 3.443 20 V HA 0.005 4.125 4.120 -0.001 0.000 0.277 20 V C 1.258 177.298 176.094 -0.091 0.000 1.648 20 V CA -0.082 62.193 62.300 -0.043 0.000 1.058 20 V CB 0.848 32.651 31.823 -0.033 0.000 0.877 20 V HN -0.075 nan 8.190 nan 0.000 0.417 21 I N 0.929 121.421 120.570 -0.131 0.000 2.439 21 I HA -0.071 4.099 4.170 -0.001 0.000 0.251 21 I C 2.030 177.984 176.117 -0.272 0.000 1.139 21 I CA 1.953 63.074 61.300 -0.298 0.000 1.438 21 I CB -0.157 37.515 38.000 -0.546 0.000 1.085 21 I HN 0.375 nan 8.210 nan 0.000 0.427 22 E N -0.185 119.914 120.200 -0.170 0.000 2.130 22 E HA -0.274 4.076 4.350 -0.001 0.000 0.196 22 E C 2.092 178.649 176.600 -0.072 0.000 0.998 22 E CA 1.260 57.592 56.400 -0.113 0.000 0.806 22 E CB -0.110 29.553 29.700 -0.062 0.000 0.738 22 E HN 0.586 nan 8.360 nan 0.000 0.459 23 Q N 0.015 119.781 119.800 -0.056 0.000 2.062 23 Q HA -0.086 4.254 4.340 -0.001 0.000 0.196 23 Q C 2.426 178.446 176.000 0.032 0.000 0.967 23 Q CA 0.893 56.696 55.803 -0.000 0.000 0.832 23 Q CB 0.031 28.757 28.738 -0.020 0.000 0.899 23 Q HN 0.209 nan 8.270 nan 0.000 0.442 24 V N 1.202 121.073 119.914 -0.071 0.000 2.427 24 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 24 V C 2.370 178.470 176.094 0.011 0.000 1.051 24 V CA 1.571 63.814 62.300 -0.095 0.000 1.048 24 V CB -0.489 31.240 31.823 -0.158 0.000 0.666 24 V HN 0.322 nan 8.190 nan 0.000 0.456 25 M N 1.473 121.024 119.600 -0.081 0.000 2.144 25 M HA -0.191 4.288 4.480 -0.001 0.000 0.260 25 M C 2.193 178.503 176.300 0.016 0.000 1.067 25 M CA 2.560 57.809 55.300 -0.086 0.000 1.095 25 M CB -0.852 31.651 32.600 -0.162 0.000 1.365 25 M HN 0.536 nan 8.290 nan 0.000 0.406 26 T N -2.484 112.107 114.554 0.062 0.000 3.163 26 T HA -0.098 4.252 4.350 -0.001 0.000 0.260 26 T C 0.862 175.544 174.700 -0.030 0.000 1.156 26 T CA 0.817 62.923 62.100 0.010 0.000 1.072 26 T CB -0.705 68.143 68.868 -0.033 0.000 0.937 26 T HN 0.502 nan 8.240 nan 0.000 0.528 27 Y N 0.381 120.653 120.300 -0.046 0.000 2.467 27 Y HA 0.507 5.056 4.550 -0.000 0.000 0.250 27 Y C 0.761 176.646 175.900 -0.024 0.000 1.155 27 Y CA -1.584 56.497 58.100 -0.032 0.000 1.249 27 Y CB 0.235 38.678 38.460 -0.029 0.000 1.146 27 Y HN 0.270 nan 8.280 nan 0.000 0.524 28 I N 0.239 120.875 120.570 0.110 0.000 2.337 28 I HA 0.069 4.239 4.170 -0.001 0.000 0.291 28 I C 1.199 177.333 176.117 0.028 0.000 1.046 28 I CA 0.247 61.586 61.300 0.065 0.000 1.324 28 I CB 1.428 39.462 38.000 0.057 0.000 1.409 28 I HN -0.006 nan 8.210 nan 0.000 0.494 29 T N 2.516 117.082 114.554 0.020 0.000 2.999 29 T HA 0.006 4.356 4.350 -0.001 0.000 0.247 29 T C 0.588 175.284 174.700 -0.007 0.000 1.012 29 T CA -0.013 62.082 62.100 -0.009 0.000 1.048 29 T CB 0.075 68.929 68.868 -0.023 0.000 1.020 29 T HN 0.581 nan 8.240 nan 0.000 0.478 30 D N 2.087 122.493 120.400 0.011 0.000 2.401 30 D HA 0.152 4.792 4.640 -0.001 0.000 0.254 30 D C -1.676 174.638 176.300 0.023 0.000 1.192 30 D CA -1.989 52.020 54.000 0.014 0.000 0.885 30 D CB 1.701 42.517 40.800 0.027 0.000 1.147 30 D HN 0.108 nan 8.370 nan 0.000 0.478 31 P HA -0.143 nan 4.420 nan 0.000 0.218 31 P C 0.900 178.232 177.300 0.054 0.000 1.146 31 P CA 1.109 64.227 63.100 0.030 0.000 0.813 31 P CB 0.312 32.029 31.700 0.028 0.000 0.778 32 K N -0.787 119.645 120.400 0.054 0.000 2.365 32 K HA -0.025 4.295 4.320 -0.001 0.000 0.197 32 K C 1.350 177.994 176.600 0.074 0.000 1.042 32 K CA 0.977 57.303 56.287 0.065 0.000 0.987 32 K CB -0.513 32.022 32.500 0.058 0.000 0.779 32 K HN 0.015 nan 8.250 nan 0.000 0.484 33 D N -0.575 119.868 120.400 0.072 0.000 2.271 33 D HA -0.000 4.640 4.640 -0.001 0.000 0.206 33 D C 1.673 178.039 176.300 0.109 0.000 0.967 33 D CA 0.291 54.343 54.000 0.088 0.000 0.867 33 D CB 0.295 41.142 40.800 0.078 0.000 0.960 33 D HN -0.030 nan 8.370 nan 0.000 0.509 34 R N 0.993 121.549 120.500 0.094 0.000 2.066 34 R HA -0.089 4.251 4.340 -0.001 0.000 0.232 34 R C 1.697 178.084 176.300 0.146 0.000 1.131 34 R CA 0.853 57.018 56.100 0.108 0.000 0.955 34 R CB -0.848 29.494 30.300 0.070 0.000 0.851 34 R HN 0.219 nan 8.270 nan 0.000 0.432 35 D N 0.212 120.692 120.400 0.133 0.000 2.177 35 D HA -0.169 4.471 4.640 -0.001 0.000 0.189 35 D C 1.793 178.181 176.300 0.146 0.000 1.002 35 D CA 2.552 56.639 54.000 0.144 0.000 0.845 35 D CB 0.021 40.890 40.800 0.115 0.000 0.960 35 D HN 0.091 nan 8.370 nan 0.000 0.447 36 S N -0.221 115.555 115.700 0.128 0.000 2.359 36 S HA -0.201 4.269 4.470 -0.001 0.000 0.224 36 S C 2.132 176.832 174.600 0.167 0.000 1.035 36 S CA 1.193 59.465 58.200 0.121 0.000 1.018 36 S CB -0.622 62.638 63.200 0.099 0.000 0.876 36 S HN 0.446 nan 8.310 nan 0.000 0.448 37 A N 1.922 124.880 122.820 0.230 0.000 1.978 37 A HA -0.132 4.188 4.320 -0.001 0.000 0.220 37 A C 2.335 180.159 177.584 0.401 0.000 1.170 37 A CA 2.003 54.275 52.037 0.392 0.000 0.636 37 A CB -0.950 18.282 19.000 0.386 0.000 0.810 37 A HN 0.643 nan 8.150 nan 0.000 0.448 38 S N -0.964 114.914 115.700 0.297 0.000 2.515 38 S HA 0.103 4.573 4.470 -0.001 0.000 0.231 38 S C 1.359 176.164 174.600 0.341 0.000 0.987 38 S CA 1.043 59.440 58.200 0.329 0.000 0.936 38 S CB -0.325 63.051 63.200 0.294 0.000 0.766 38 S HN 0.433 nan 8.310 nan 0.000 0.528 39 L N 1.504 122.857 121.223 0.217 0.000 2.640 39 L HA 0.293 4.632 4.340 -0.001 0.000 0.230 39 L C 2.123 179.010 176.870 0.028 0.000 1.123 39 L CA 0.178 55.089 54.840 0.118 0.000 0.900 39 L CB 0.591 42.698 42.059 0.081 0.000 1.146 39 L HN 0.394 nan 8.230 nan 0.000 0.484 40 V N -1.935 117.971 119.914 -0.012 0.000 2.871 40 V HA 0.024 4.144 4.120 -0.001 0.000 0.256 40 V C 0.649 176.607 176.094 -0.228 0.000 1.082 40 V CA 0.651 62.815 62.300 -0.226 0.000 1.105 40 V CB -0.309 31.150 31.823 -0.606 0.000 0.713 40 V HN 0.560 nan 8.190 nan 0.000 0.473 41 C N -2.444 116.807 119.300 -0.082 0.000 2.951 41 C HA 0.394 4.854 4.460 -0.001 0.000 0.331 41 C C 1.170 176.233 174.990 0.121 0.000 1.256 41 C CA -0.406 58.594 59.018 -0.031 0.000 1.176 41 C CB 0.861 28.531 27.740 -0.116 0.000 1.349 41 C HN 0.416 nan 8.230 nan 0.000 0.473 42 R N 0.303 120.859 120.500 0.094 0.000 2.117 42 R HA -0.145 4.195 4.340 -0.001 0.000 0.243 42 R C 2.438 178.898 176.300 0.267 0.000 1.143 42 R CA 2.225 58.413 56.100 0.146 0.000 0.968 42 R CB -0.252 30.094 30.300 0.076 0.000 0.863 42 R HN 0.740 nan 8.270 nan 0.000 0.444 43 R N -0.360 120.298 120.500 0.264 0.000 2.073 43 R HA -0.143 4.196 4.340 -0.001 0.000 0.229 43 R C 1.776 178.296 176.300 0.366 0.000 1.120 43 R CA 1.355 57.630 56.100 0.292 0.000 0.967 43 R CB -0.078 30.396 30.300 0.290 0.000 0.862 43 R HN 0.238 nan 8.270 nan 0.000 0.436 44 W N -0.048 121.319 121.300 0.112 0.000 2.388 44 W HA -0.122 4.537 4.660 -0.000 0.000 0.294 44 W C 1.927 178.519 176.519 0.122 0.000 1.212 44 W CA 0.417 57.821 57.345 0.099 0.000 1.271 44 W CB -0.941 28.575 29.460 0.092 0.000 1.126 44 W HN 0.063 nan 8.180 nan 0.000 0.535 45 F N 1.728 121.839 119.950 0.268 0.000 2.091 45 F HA -0.262 4.265 4.527 -0.001 0.000 0.299 45 F C 2.321 178.191 175.800 0.117 0.000 1.103 45 F CA 2.407 60.502 58.000 0.158 0.000 1.228 45 F CB -0.540 38.520 39.000 0.099 0.000 0.984 45 F HN -0.206 nan 8.300 nan 0.000 0.477 46 K N 0.254 120.714 120.400 0.100 0.000 2.097 46 K HA -0.083 4.237 4.320 -0.001 0.000 0.205 46 K C 2.124 178.681 176.600 -0.071 0.000 1.050 46 K CA 1.629 57.895 56.287 -0.035 0.000 0.938 46 K CB -0.245 32.323 32.500 0.113 0.000 0.718 46 K HN 0.373 nan 8.250 nan 0.000 0.442 47 I N 0.859 121.417 120.570 -0.020 0.000 2.315 47 I HA -0.248 3.921 4.170 -0.001 0.000 0.248 47 I C 2.044 178.127 176.117 -0.056 0.000 1.117 47 I CA 1.424 62.694 61.300 -0.050 0.000 1.404 47 I CB -0.262 37.678 38.000 -0.099 0.000 1.071 47 I HN 0.289 nan 8.210 nan 0.000 0.419 48 D N 0.221 120.592 120.400 -0.047 0.000 2.097 48 D HA -0.227 4.413 4.640 -0.001 0.000 0.197 48 D C 2.284 178.597 176.300 0.022 0.000 0.984 48 D CA 1.595 55.593 54.000 -0.003 0.000 0.826 48 D CB -0.030 40.801 40.800 0.053 0.000 0.973 48 D HN 0.133 nan 8.370 nan 0.000 0.460 49 S N -0.388 115.230 115.700 -0.138 0.000 2.372 49 S HA -0.287 4.182 4.470 -0.001 0.000 0.227 49 S C 1.775 176.403 174.600 0.047 0.000 1.044 49 S CA 1.794 59.919 58.200 -0.125 0.000 1.050 49 S CB -0.537 62.383 63.200 -0.465 0.000 0.901 49 S HN 0.427 nan 8.310 nan 0.000 0.447 50 E N -0.442 119.751 120.200 -0.012 0.000 2.489 50 E HA 0.035 4.385 4.350 -0.001 0.000 0.193 50 E C 1.537 178.145 176.600 0.013 0.000 1.057 50 E CA 1.005 57.410 56.400 0.009 0.000 0.866 50 E CB 0.228 29.923 29.700 -0.009 0.000 0.916 50 E HN 0.869 nan 8.360 nan 0.000 0.500 51 T N -2.734 111.827 114.554 0.012 0.000 2.986 51 T HA 0.175 4.525 4.350 -0.001 0.000 0.264 51 T C 0.764 175.448 174.700 -0.027 0.000 0.964 51 T CA -0.565 61.528 62.100 -0.011 0.000 0.895 51 T CB 0.212 69.064 68.868 -0.026 0.000 1.163 51 T HN -0.182 nan 8.240 nan 0.000 0.517 52 R N 2.117 122.602 120.500 -0.025 0.000 2.538 52 R HA 0.163 4.503 4.340 -0.001 0.000 0.282 52 R C 0.943 177.154 176.300 -0.150 0.000 1.009 52 R CA 0.642 56.658 56.100 -0.141 0.000 1.063 52 R CB 0.153 30.227 30.300 -0.377 0.000 0.945 52 R HN 0.425 nan 8.270 nan 0.000 0.414 53 E N 1.096 121.219 120.200 -0.129 0.000 2.290 53 E HA 0.006 4.355 4.350 -0.001 0.000 0.199 53 E C -0.195 176.369 176.600 -0.060 0.000 0.912 53 E CA 0.122 56.476 56.400 -0.077 0.000 0.924 53 E CB 0.236 29.909 29.700 -0.045 0.000 0.901 53 E HN 0.508 nan 8.360 nan 0.000 0.487 54 H N 0.337 119.295 119.070 -0.187 0.000 2.637 54 H HA 0.471 5.027 4.556 -0.001 0.000 0.363 54 H C -1.511 173.671 175.328 -0.243 0.000 1.131 54 H CA -0.509 55.432 56.048 -0.178 0.000 1.183 54 H CB 1.543 31.230 29.762 -0.125 0.000 1.637 54 H HN -0.184 nan 8.280 nan 0.000 0.531 55 V N 4.081 123.552 119.914 -0.737 0.000 2.760 55 V HA 0.257 4.377 4.120 -0.001 0.000 0.309 55 V C -0.191 175.592 176.094 -0.518 0.000 1.077 55 V CA -0.656 61.369 62.300 -0.457 0.000 0.910 55 V CB 2.179 33.798 31.823 -0.341 0.000 1.008 55 V HN 0.869 nan 8.190 nan 0.000 0.424 56 T N 5.936 120.383 114.554 -0.179 0.000 2.797 56 T HA 0.595 4.945 4.350 -0.001 0.000 0.279 56 T C -0.335 174.312 174.700 -0.090 0.000 0.991 56 T CA -0.341 61.691 62.100 -0.114 0.000 0.979 56 T CB 1.107 69.993 68.868 0.029 0.000 0.943 56 T HN 0.483 nan 8.240 nan 0.000 0.444 57 M N 2.747 122.264 119.600 -0.139 0.000 2.072 57 M HA 0.387 4.866 4.480 -0.001 0.000 0.331 57 M C 1.147 177.386 176.300 -0.103 0.000 1.004 57 M CA -0.773 54.464 55.300 -0.104 0.000 0.952 57 M CB 1.505 33.996 32.600 -0.181 0.000 1.511 57 M HN 0.808 nan 8.290 nan 0.000 0.422 58 A N 4.393 127.187 122.820 -0.043 0.000 2.121 58 A HA 0.111 4.430 4.320 -0.001 0.000 0.218 58 A C 0.727 178.291 177.584 -0.033 0.000 1.154 58 A CA 1.012 53.016 52.037 -0.056 0.000 0.679 58 A CB 0.201 19.184 19.000 -0.030 0.000 0.795 58 A HN 0.729 nan 8.150 nan 0.000 0.458 59 L N -0.038 121.190 121.223 0.009 0.000 2.541 59 L HA 0.160 4.500 4.340 -0.001 0.000 0.266 59 L C 1.071 177.940 176.870 -0.002 0.000 0.966 59 L CA -0.713 54.149 54.840 0.035 0.000 0.871 59 L CB 1.515 43.641 42.059 0.111 0.000 1.232 59 L HN 0.471 nan 8.230 nan 0.000 0.408 60 C N 1.957 121.190 119.300 -0.113 0.000 2.401 60 C HA -0.175 4.285 4.460 -0.001 0.000 0.286 60 C C 1.664 176.693 174.990 0.064 0.000 1.332 60 C CA 0.540 59.455 59.018 -0.171 0.000 1.795 60 C CB -1.449 26.086 27.740 -0.342 0.000 1.922 60 C HN 0.770 nan 8.230 nan 0.000 0.520 61 Y N 0.558 120.958 120.300 0.167 0.000 2.462 61 Y HA 0.104 4.654 4.550 -0.001 0.000 0.293 61 Y C 2.663 178.713 175.900 0.249 0.000 1.195 61 Y CA 0.662 58.873 58.100 0.185 0.000 1.276 61 Y CB -0.145 38.353 38.460 0.065 0.000 1.082 61 Y HN 0.333 nan 8.280 nan 0.000 0.514 62 T N -0.393 114.371 114.554 0.349 0.000 3.051 62 T HA 0.426 4.776 4.350 -0.001 0.000 0.255 62 T C 0.396 175.292 174.700 0.325 0.000 1.085 62 T CA 0.634 62.946 62.100 0.354 0.000 1.109 62 T CB -0.015 69.020 68.868 0.278 0.000 0.921 62 T HN 0.263 nan 8.240 nan 0.000 0.488 63 A N 0.387 123.408 122.820 0.335 0.000 2.612 63 A HA 0.613 4.933 4.320 -0.001 0.000 0.293 63 A C -0.105 177.657 177.584 0.296 0.000 1.075 63 A CA -0.738 51.474 52.037 0.292 0.000 0.680 63 A CB 0.777 19.935 19.000 0.263 0.000 1.279 63 A HN 0.248 nan 8.150 nan 0.000 0.411 64 T N -0.708 113.937 114.554 0.151 0.000 2.882 64 T HA 0.505 4.854 4.350 -0.001 0.000 0.287 64 T C -2.018 172.592 174.700 -0.151 0.000 1.014 64 T CA -1.222 60.858 62.100 -0.033 0.000 1.049 64 T CB 0.873 69.717 68.868 -0.041 0.000 1.001 64 T HN 0.227 nan 8.240 nan 0.000 0.525 65 P HA -0.052 nan 4.420 nan 0.000 0.218 65 P C 1.157 178.383 177.300 -0.124 0.000 1.149 65 P CA 0.912 63.665 63.100 -0.578 0.000 0.817 65 P CB -0.023 31.161 31.700 -0.861 0.000 0.785 66 D N -0.407 119.920 120.400 -0.121 0.000 2.133 66 D HA -0.222 4.418 4.640 -0.001 0.000 0.195 66 D C 2.109 178.419 176.300 0.017 0.000 0.997 66 D CA 1.251 55.230 54.000 -0.035 0.000 0.840 66 D CB -0.295 40.484 40.800 -0.034 0.000 0.947 66 D HN -0.052 nan 8.370 nan 0.000 0.452 67 R N -0.625 119.897 120.500 0.037 0.000 2.075 67 R HA -0.103 4.237 4.340 -0.001 0.000 0.232 67 R C 2.355 178.702 176.300 0.079 0.000 1.126 67 R CA 1.000 57.136 56.100 0.060 0.000 0.963 67 R CB -0.489 29.861 30.300 0.083 0.000 0.858 67 R HN 0.281 nan 8.270 nan 0.000 0.435 68 L N 0.996 122.316 121.223 0.162 0.000 2.013 68 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 68 L C 2.172 179.146 176.870 0.173 0.000 1.073 68 L CA 2.585 57.564 54.840 0.231 0.000 0.753 68 L CB -0.670 41.634 42.059 0.409 0.000 0.890 68 L HN 0.355 nan 8.230 nan 0.000 0.432 69 S N -1.152 114.631 115.700 0.139 0.000 2.527 69 S HA -0.110 4.359 4.470 -0.001 0.000 0.222 69 S C 2.056 176.692 174.600 0.061 0.000 0.985 69 S CA 0.491 58.759 58.200 0.113 0.000 0.921 69 S CB -0.530 62.726 63.200 0.094 0.000 0.772 69 S HN 0.654 nan 8.310 nan 0.000 0.529 70 R N 1.222 121.740 120.500 0.030 0.000 2.080 70 R HA 0.164 4.503 4.340 -0.001 0.000 0.222 70 R C 2.444 178.718 176.300 -0.044 0.000 1.107 70 R CA 0.851 56.956 56.100 0.008 0.000 0.980 70 R CB -0.281 30.028 30.300 0.016 0.000 0.879 70 R HN 0.345 nan 8.270 nan 0.000 0.439 71 R N -0.002 120.419 120.500 -0.132 0.000 2.073 71 R HA 0.006 4.346 4.340 -0.001 0.000 0.229 71 R C -0.057 175.917 176.300 -0.545 0.000 1.120 71 R CA 1.492 57.342 56.100 -0.417 0.000 0.967 71 R CB 0.018 29.919 30.300 -0.665 0.000 0.862 71 R HN 0.293 nan 8.270 nan 0.000 0.436 72 F N 0.056 120.007 119.950 0.003 0.000 2.564 72 F HA 0.367 4.894 4.527 -0.001 0.000 0.329 72 F C -1.733 174.064 175.800 -0.004 0.000 1.458 72 F CA -2.252 55.738 58.000 -0.018 0.000 1.117 72 F CB 1.870 40.863 39.000 -0.011 0.000 1.383 72 F HN 0.014 nan 8.300 nan 0.000 0.571 73 P HA -0.146 nan 4.420 nan 0.000 0.221 73 P C -0.023 177.323 177.300 0.077 0.000 1.145 73 P CA 1.527 64.679 63.100 0.087 0.000 0.795 73 P CB 0.099 31.829 31.700 0.051 0.000 0.775 74 N N -1.155 117.593 118.700 0.080 0.000 2.328 74 N HA 0.169 4.909 4.740 -0.001 0.000 0.247 74 N C -0.099 175.425 175.510 0.024 0.000 1.165 74 N CA -0.366 52.709 53.050 0.043 0.000 0.873 74 N CB 0.010 38.513 38.487 0.028 0.000 1.125 74 N HN 0.058 nan 8.380 nan 0.000 0.513 75 L N 1.047 122.288 121.223 0.030 0.000 2.573 75 L HA -0.036 4.304 4.340 -0.001 0.000 0.290 75 L C 1.404 178.259 176.870 -0.024 0.000 1.247 75 L CA 0.428 55.253 54.840 -0.025 0.000 0.876 75 L CB 0.563 42.609 42.059 -0.023 0.000 1.123 75 L HN 0.300 nan 8.230 nan 0.000 0.505 76 R N 0.798 121.274 120.500 -0.039 0.000 2.250 76 R HA 0.157 4.496 4.340 -0.001 0.000 0.194 76 R C 0.231 176.512 176.300 -0.031 0.000 0.927 76 R CA 0.251 56.336 56.100 -0.026 0.000 1.052 76 R CB 0.449 30.737 30.300 -0.020 0.000 1.055 76 R HN 0.558 nan 8.270 nan 0.000 0.537 77 S N 0.637 116.307 115.700 -0.050 0.000 2.619 77 S HA 0.542 5.011 4.470 -0.001 0.000 0.280 77 S C -1.611 172.853 174.600 -0.226 0.000 1.150 77 S CA -0.692 57.480 58.200 -0.047 0.000 0.978 77 S CB 0.856 64.130 63.200 0.124 0.000 1.041 77 S HN 0.067 nan 8.310 nan 0.000 0.485 78 L N 4.112 125.208 121.223 -0.212 0.000 2.341 78 L HA 0.791 5.131 4.340 -0.001 0.000 0.267 78 L C -0.979 175.736 176.870 -0.257 0.000 1.009 78 L CA -0.259 54.403 54.840 -0.297 0.000 0.819 78 L CB 1.801 43.756 42.059 -0.173 0.000 1.323 78 L HN 0.743 nan 8.230 nan 0.000 0.425 79 K N 5.008 125.235 120.400 -0.289 0.000 2.637 79 K HA 0.570 4.890 4.320 -0.001 0.000 0.248 79 K C -2.219 174.228 176.600 -0.253 0.000 0.971 79 K CA -0.469 55.684 56.287 -0.225 0.000 0.858 79 K CB 0.984 33.382 32.500 -0.171 0.000 1.170 79 K HN 0.692 nan 8.250 nan 0.000 0.443 80 L N 3.955 125.049 121.223 -0.215 0.000 2.341 80 L HA 0.537 4.877 4.340 -0.001 0.000 0.278 80 L C -0.545 176.212 176.870 -0.188 0.000 1.005 80 L CA -1.036 53.646 54.840 -0.264 0.000 0.818 80 L CB 1.891 43.712 42.059 -0.398 0.000 1.259 80 L HN 0.483 nan 8.230 nan 0.000 0.418 81 K N 0.858 121.141 120.400 -0.194 0.000 2.123 81 K HA 0.654 4.974 4.320 -0.001 0.000 0.259 81 K C 0.419 176.954 176.600 -0.108 0.000 0.960 81 K CA -0.363 55.840 56.287 -0.141 0.000 0.872 81 K CB 2.241 34.652 32.500 -0.148 0.000 1.079 81 K HN 0.698 nan 8.250 nan 0.000 0.440 82 G N 1.626 110.393 108.800 -0.054 0.000 2.487 82 G HA2 0.094 4.054 3.960 -0.001 0.000 0.212 82 G HA3 0.094 4.054 3.960 -0.001 0.000 0.212 82 G C -0.538 174.433 174.900 0.118 0.000 1.988 82 G CA -0.288 44.840 45.100 0.047 0.000 0.724 82 G HN 0.391 nan 8.290 nan 0.000 0.755 83 K N 1.758 122.177 120.400 0.032 0.000 2.414 83 K HA 0.241 4.561 4.320 -0.001 0.000 0.272 83 K C -2.353 174.041 176.600 -0.344 0.000 0.993 83 K CA -1.108 55.009 56.287 -0.283 0.000 0.964 83 K CB 0.698 33.071 32.500 -0.211 0.000 0.925 83 K HN 0.094 nan 8.250 nan 0.000 0.487 84 P HA -0.024 nan 4.420 nan 0.000 0.267 84 P C 0.211 177.286 177.300 -0.375 0.000 1.200 84 P CA 0.063 62.956 63.100 -0.345 0.000 0.772 84 P CB 0.530 31.944 31.700 -0.476 0.000 0.855 85 R N 2.435 122.750 120.500 -0.308 0.000 2.154 85 R HA -0.236 4.103 4.340 -0.001 0.000 0.248 85 R C 1.911 178.095 176.300 -0.194 0.000 1.155 85 R CA 1.890 57.856 56.100 -0.224 0.000 0.979 85 R CB -0.791 29.412 30.300 -0.161 0.000 0.869 85 R HN 0.569 nan 8.270 nan 0.000 0.452 86 A N 0.280 122.819 122.820 -0.470 0.000 2.125 86 A HA -0.098 4.222 4.320 -0.001 0.000 0.219 86 A C 2.146 179.594 177.584 -0.227 0.000 1.156 86 A CA 1.489 53.242 52.037 -0.474 0.000 0.671 86 A CB -0.410 17.771 19.000 -1.365 0.000 0.794 86 A HN 0.456 nan 8.150 nan 0.000 0.459 87 A N -0.610 122.040 122.820 -0.283 0.000 2.121 87 A HA 0.019 4.339 4.320 -0.001 0.000 0.218 87 A C 1.969 179.451 177.584 -0.171 0.000 1.154 87 A CA 1.275 53.186 52.037 -0.210 0.000 0.679 87 A CB -0.505 18.358 19.000 -0.228 0.000 0.795 87 A HN 0.543 nan 8.150 nan 0.000 0.458 88 M N -1.633 117.833 119.600 -0.223 0.000 2.659 88 M HA 0.120 4.600 4.480 -0.001 0.000 0.243 88 M C -0.198 175.700 176.300 -0.670 0.000 1.111 88 M CA 0.793 55.824 55.300 -0.449 0.000 1.070 88 M CB -0.012 32.237 32.600 -0.585 0.000 1.525 88 M HN 0.432 nan 8.290 nan 0.000 0.517 89 F N -0.147 119.732 119.950 -0.119 0.000 2.835 89 F HA 0.323 4.849 4.527 -0.000 0.000 0.342 89 F C 0.356 176.109 175.800 -0.079 0.000 1.202 89 F CA -0.767 57.182 58.000 -0.084 0.000 1.240 89 F CB -0.143 38.811 39.000 -0.077 0.000 1.005 89 F HN 0.097 nan 8.300 nan 0.000 0.507 90 N N 1.600 120.308 118.700 0.013 0.000 2.708 90 N HA -0.212 4.528 4.740 -0.001 0.000 0.251 90 N C 0.665 176.158 175.510 -0.027 0.000 1.017 90 N CA 0.721 53.773 53.050 0.003 0.000 0.742 90 N CB -1.037 37.468 38.487 0.029 0.000 0.943 90 N HN 0.458 nan 8.380 nan 0.000 0.539 91 L N -1.091 120.106 121.223 -0.044 0.000 2.556 91 L HA 0.246 4.586 4.340 -0.001 0.000 0.226 91 L C 0.722 177.642 176.870 0.084 0.000 1.089 91 L CA 0.394 55.195 54.840 -0.065 0.000 0.864 91 L CB 0.243 42.279 42.059 -0.039 0.000 1.067 91 L HN 0.093 nan 8.230 nan 0.000 0.477 92 I N 1.012 121.581 120.570 -0.002 0.000 2.377 92 I HA 0.352 4.522 4.170 -0.001 0.000 0.293 92 I C -2.042 174.129 176.117 0.089 0.000 0.987 92 I CA -2.354 58.961 61.300 0.024 0.000 1.185 92 I CB 1.181 39.065 38.000 -0.194 0.000 1.341 92 I HN -0.231 nan 8.210 nan 0.000 0.455 93 P HA 0.027 nan 4.420 nan 0.000 0.267 93 P C 0.692 178.092 177.300 0.168 0.000 1.200 93 P CA 0.042 63.251 63.100 0.181 0.000 0.772 93 P CB 0.907 32.745 31.700 0.230 0.000 0.855 94 E N 3.065 123.336 120.200 0.118 0.000 2.110 94 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 94 E C 1.076 177.743 176.600 0.112 0.000 0.988 94 E CA 1.643 58.096 56.400 0.087 0.000 0.804 94 E CB -0.504 29.228 29.700 0.053 0.000 0.745 94 E HN 0.434 nan 8.360 nan 0.000 0.458 95 N N -0.503 118.282 118.700 0.142 0.000 2.370 95 N HA -0.072 4.667 4.740 -0.001 0.000 0.198 95 N C 1.143 176.758 175.510 0.175 0.000 1.156 95 N CA 0.236 53.375 53.050 0.148 0.000 0.839 95 N CB -1.127 37.450 38.487 0.151 0.000 0.989 95 N HN 0.326 nan 8.380 nan 0.000 0.468 96 W N 1.689 123.010 121.300 0.035 0.000 2.305 96 W HA -0.015 4.644 4.660 -0.001 0.000 0.308 96 W C 0.766 177.322 176.519 0.061 0.000 1.226 96 W CA 2.506 59.886 57.345 0.057 0.000 1.253 96 W CB -0.106 29.392 29.460 0.064 0.000 1.146 96 W HN 0.319 nan 8.180 nan 0.000 0.507 97 G N -3.391 105.419 108.800 0.016 0.000 2.339 97 G HA2 0.378 4.338 3.960 -0.001 0.000 0.275 97 G HA3 0.378 4.338 3.960 -0.001 0.000 0.275 97 G C 0.304 175.190 174.900 -0.023 0.000 1.323 97 G CA 0.099 45.062 45.100 -0.228 0.000 0.927 97 G HN 1.059 nan 8.290 nan 0.000 0.486 98 G N -1.689 107.162 108.800 0.085 0.000 2.130 98 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.216 98 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.216 98 G C 0.229 175.047 174.900 -0.137 0.000 0.999 98 G CA 0.532 45.624 45.100 -0.013 0.000 0.686 98 G HN 1.434 nan 8.290 nan 0.000 0.515 99 Y N -0.637 119.701 120.300 0.062 0.000 2.544 99 Y HA 0.297 4.847 4.550 -0.001 0.000 0.330 99 Y C 1.633 177.542 175.900 0.015 0.000 1.136 99 Y CA 0.544 58.663 58.100 0.032 0.000 1.417 99 Y CB 1.496 39.987 38.460 0.051 0.000 1.229 99 Y HN -0.010 nan 8.280 nan 0.000 0.532 100 V N 3.016 122.959 119.914 0.048 0.000 3.306 100 V HA -0.164 3.956 4.120 -0.001 0.000 0.264 100 V C 1.982 178.120 176.094 0.073 0.000 1.149 100 V CA 1.919 64.158 62.300 -0.101 0.000 1.143 100 V CB -0.335 31.115 31.823 -0.622 0.000 0.767 100 V HN 1.063 nan 8.190 nan 0.000 0.476 101 T N -0.103 114.504 114.554 0.088 0.000 2.777 101 T HA -0.033 4.317 4.350 -0.001 0.000 0.266 101 T C 0.019 174.726 174.700 0.010 0.000 1.040 101 T CA 1.434 63.560 62.100 0.044 0.000 1.141 101 T CB -1.033 67.853 68.868 0.030 0.000 0.868 101 T HN 0.444 nan 8.240 nan 0.000 0.444 102 P HA 0.007 nan 4.420 nan 0.000 0.218 102 P C 0.704 177.856 177.300 -0.247 0.000 1.149 102 P CA 1.011 63.991 63.100 -0.201 0.000 0.817 102 P CB -0.346 31.147 31.700 -0.345 0.000 0.785 103 W N -0.114 121.185 121.300 -0.002 0.000 2.381 103 W HA -0.106 4.553 4.660 -0.001 0.000 0.301 103 W C 2.376 178.930 176.519 0.058 0.000 1.205 103 W CA 0.992 58.355 57.345 0.030 0.000 1.285 103 W CB -1.380 28.102 29.460 0.036 0.000 1.133 103 W HN -0.176 nan 8.180 nan 0.000 0.521 104 V N -0.248 119.811 119.914 0.242 0.000 2.667 104 V HA -0.206 3.914 4.120 -0.001 0.000 0.252 104 V C 2.117 178.271 176.094 0.100 0.000 1.065 104 V CA 2.564 64.975 62.300 0.185 0.000 1.083 104 V CB -1.077 30.843 31.823 0.162 0.000 0.692 104 V HN 0.287 nan 8.190 nan 0.000 0.468 105 T N -1.069 113.513 114.554 0.047 0.000 2.904 105 T HA -0.186 4.163 4.350 -0.001 0.000 0.267 105 T C 1.819 176.528 174.700 0.015 0.000 1.059 105 T CA 1.801 63.909 62.100 0.014 0.000 1.137 105 T CB -0.395 68.462 68.868 -0.017 0.000 0.879 105 T HN 0.602 nan 8.240 nan 0.000 0.467 106 E N 0.839 121.047 120.200 0.014 0.000 2.106 106 E HA 0.027 4.377 4.350 -0.001 0.000 0.192 106 E C 1.973 178.617 176.600 0.074 0.000 0.984 106 E CA 1.032 57.446 56.400 0.024 0.000 0.806 106 E CB -0.600 29.099 29.700 -0.001 0.000 0.750 106 E HN 0.709 nan 8.360 nan 0.000 0.458 107 I N -0.167 120.473 120.570 0.117 0.000 2.179 107 I HA -0.299 3.871 4.170 -0.001 0.000 0.242 107 I C 2.373 178.529 176.117 0.064 0.000 1.088 107 I CA 1.096 62.460 61.300 0.107 0.000 1.357 107 I CB -0.383 37.698 38.000 0.135 0.000 1.051 107 I HN 0.059 nan 8.210 nan 0.000 0.409 108 S N 0.801 116.532 115.700 0.052 0.000 2.368 108 S HA -0.271 4.198 4.470 -0.001 0.000 0.226 108 S C 1.648 176.262 174.600 0.023 0.000 1.044 108 S CA 2.389 60.606 58.200 0.029 0.000 1.062 108 S CB -0.614 62.597 63.200 0.018 0.000 0.931 108 S HN 0.538 nan 8.310 nan 0.000 0.440 109 N N 0.170 118.884 118.700 0.023 0.000 2.368 109 N HA 0.111 4.851 4.740 -0.001 0.000 0.176 109 N C 0.916 176.440 175.510 0.022 0.000 1.021 109 N CA 0.714 53.773 53.050 0.017 0.000 0.888 109 N CB 0.130 38.621 38.487 0.008 0.000 0.995 109 N HN 0.272 nan 8.380 nan 0.000 0.437 110 N N -0.281 118.439 118.700 0.033 0.000 2.166 110 N HA 0.167 4.907 4.740 -0.001 0.000 0.222 110 N C -0.489 175.052 175.510 0.050 0.000 1.282 110 N CA 0.132 53.205 53.050 0.038 0.000 0.890 110 N CB 1.194 39.703 38.487 0.037 0.000 1.114 110 N HN 0.062 nan 8.380 nan 0.000 0.494 111 L N 1.562 122.821 121.223 0.058 0.000 2.783 111 L HA 0.367 4.706 4.340 -0.001 0.000 0.235 111 L C 1.046 177.941 176.870 0.041 0.000 1.260 111 L CA -0.162 54.714 54.840 0.060 0.000 1.184 111 L CB 0.403 42.510 42.059 0.079 0.000 1.472 111 L HN -0.274 nan 8.230 nan 0.000 0.426 112 R N -0.007 120.513 120.500 0.032 0.000 2.346 112 R HA -0.092 4.248 4.340 -0.001 0.000 0.199 112 R C 1.488 177.798 176.300 0.017 0.000 1.015 112 R CA 0.609 56.723 56.100 0.023 0.000 1.058 112 R CB -0.099 30.213 30.300 0.020 0.000 0.921 112 R HN 0.395 nan 8.270 nan 0.000 0.475 113 Q N -0.825 118.985 119.800 0.017 0.000 2.189 113 Q HA 0.201 4.541 4.340 -0.001 0.000 0.223 113 Q C -0.835 175.167 176.000 0.002 0.000 0.828 113 Q CA -0.201 55.607 55.803 0.008 0.000 0.967 113 Q CB 0.611 29.354 28.738 0.008 0.000 1.139 113 Q HN 0.091 nan 8.270 nan 0.000 0.497 114 L N 1.672 122.898 121.223 0.005 0.000 2.410 114 L HA 0.115 4.455 4.340 -0.001 0.000 0.273 114 L C 0.679 177.541 176.870 -0.013 0.000 1.144 114 L CA 0.869 55.706 54.840 -0.006 0.000 0.863 114 L CB 0.677 42.736 42.059 0.001 0.000 1.140 114 L HN 0.172 nan 8.230 nan 0.000 0.463 115 K N 1.365 121.752 120.400 -0.021 0.000 2.440 115 K HA 0.283 4.603 4.320 -0.001 0.000 0.207 115 K C 0.069 176.648 176.600 -0.036 0.000 1.112 115 K CA -0.140 56.134 56.287 -0.022 0.000 1.036 115 K CB 0.568 33.057 32.500 -0.017 0.000 0.935 115 K HN 0.417 nan 8.250 nan 0.000 0.564 116 S N 0.607 116.278 115.700 -0.048 0.000 2.572 116 S HA 0.504 4.973 4.470 -0.001 0.000 0.274 116 S C -1.525 173.007 174.600 -0.114 0.000 1.150 116 S CA -0.539 57.620 58.200 -0.068 0.000 0.944 116 S CB 1.941 65.120 63.200 -0.036 0.000 1.071 116 S HN 0.032 nan 8.310 nan 0.000 0.479 117 V N 5.055 124.856 119.914 -0.188 0.000 2.577 117 V HA 0.510 4.629 4.120 -0.001 0.000 0.303 117 V C -0.690 175.174 176.094 -0.382 0.000 1.042 117 V CA -0.672 61.420 62.300 -0.346 0.000 0.872 117 V CB 1.629 33.135 31.823 -0.527 0.000 0.998 117 V HN 1.009 nan 8.190 nan 0.000 0.423 118 H N 4.693 123.489 119.070 -0.456 0.000 2.708 118 H HA 0.616 5.172 4.556 -0.000 0.000 0.320 118 H C -1.733 173.422 175.328 -0.288 0.000 0.991 118 H CA -0.767 55.086 56.048 -0.326 0.000 1.243 118 H CB 0.932 30.602 29.762 -0.153 0.000 1.446 118 H HN 0.497 nan 8.280 nan 0.000 0.502 119 F N 3.995 124.071 119.950 0.211 0.000 2.427 119 F HA 0.390 4.917 4.527 -0.001 0.000 0.346 119 F C 0.258 176.126 175.800 0.113 0.000 1.120 119 F CA -0.812 57.219 58.000 0.051 0.000 1.033 119 F CB 1.440 40.438 39.000 -0.003 0.000 1.126 119 F HN 0.453 nan 8.300 nan 0.000 0.462 120 R N 3.042 123.636 120.500 0.157 0.000 2.409 120 R HA 0.519 4.858 4.340 -0.001 0.000 0.313 120 R C -0.096 176.210 176.300 0.011 0.000 0.953 120 R CA -0.595 55.546 56.100 0.069 0.000 0.849 120 R CB 0.621 30.867 30.300 -0.089 0.000 1.171 120 R HN 0.757 nan 8.270 nan 0.000 0.458 121 R N 3.388 123.900 120.500 0.021 0.000 3.336 121 R HA -0.172 4.167 4.340 -0.001 0.000 0.260 121 R C -0.638 175.661 176.300 -0.003 0.000 1.032 121 R CA 1.006 57.098 56.100 -0.014 0.000 0.693 121 R CB -1.165 29.095 30.300 -0.067 0.000 1.134 121 R HN 0.589 nan 8.270 nan 0.000 0.433 122 M N 0.385 119.993 119.600 0.014 0.000 2.761 122 M HA 0.499 4.979 4.480 -0.001 0.000 0.305 122 M C 0.358 176.640 176.300 -0.029 0.000 1.235 122 M CA -1.121 54.158 55.300 -0.034 0.000 0.850 122 M CB 1.695 34.231 32.600 -0.107 0.000 1.744 122 M HN -0.095 nan 8.290 nan 0.000 0.480 123 I N 2.659 123.175 120.570 -0.091 0.000 2.301 123 I HA 0.317 4.487 4.170 -0.001 0.000 0.292 123 I C -0.543 175.583 176.117 0.015 0.000 1.046 123 I CA -0.431 60.842 61.300 -0.044 0.000 1.282 123 I CB 0.517 38.400 38.000 -0.196 0.000 1.409 123 I HN 0.285 nan 8.210 nan 0.000 0.484 124 V N 6.040 126.016 119.914 0.104 0.000 2.444 124 V HA 0.342 4.462 4.120 -0.001 0.000 0.294 124 V C 0.433 176.652 176.094 0.208 0.000 1.022 124 V CA -0.501 61.841 62.300 0.070 0.000 0.850 124 V CB 1.854 33.674 31.823 -0.005 0.000 0.992 124 V HN 0.902 nan 8.190 nan 0.000 0.426 125 S N 2.098 117.887 115.700 0.148 0.000 2.713 125 S HA 0.370 4.839 4.470 -0.001 0.000 0.283 125 S C 0.600 175.289 174.600 0.148 0.000 1.161 125 S CA -0.572 57.731 58.200 0.172 0.000 0.999 125 S CB 1.543 64.818 63.200 0.125 0.000 1.039 125 S HN 0.600 nan 8.310 nan 0.000 0.548 126 D N 0.105 120.595 120.400 0.150 0.000 2.144 126 D HA -0.066 4.574 4.640 -0.001 0.000 0.199 126 D C 1.731 178.073 176.300 0.069 0.000 0.984 126 D CA 0.808 54.877 54.000 0.114 0.000 0.834 126 D CB -0.394 40.470 40.800 0.105 0.000 0.955 126 D HN 0.433 nan 8.370 nan 0.000 0.465 127 L N 1.420 122.679 121.223 0.060 0.000 2.046 127 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 127 L C 1.347 178.235 176.870 0.031 0.000 1.077 127 L CA 1.955 56.818 54.840 0.038 0.000 0.747 127 L CB -0.678 41.399 42.059 0.030 0.000 0.896 127 L HN -0.026 nan 8.230 nan 0.000 0.432 128 D N -0.675 119.748 120.400 0.039 0.000 2.234 128 D HA -0.191 4.448 4.640 -0.001 0.000 0.205 128 D C 2.112 178.434 176.300 0.037 0.000 0.962 128 D CA 1.514 55.533 54.000 0.033 0.000 0.855 128 D CB -0.794 40.022 40.800 0.026 0.000 0.951 128 D HN 0.526 nan 8.370 nan 0.000 0.500 129 L N -1.059 120.181 121.223 0.028 0.000 2.156 129 L HA 0.095 4.434 4.340 -0.001 0.000 0.208 129 L C 1.769 178.644 176.870 0.008 0.000 1.095 129 L CA 1.828 56.677 54.840 0.015 0.000 0.770 129 L CB -0.817 41.220 42.059 -0.036 0.000 0.914 129 L HN -0.160 nan 8.230 nan 0.000 0.439 130 D N 0.778 121.183 120.400 0.009 0.000 2.117 130 D HA -0.194 4.446 4.640 -0.001 0.000 0.197 130 D C 2.369 178.634 176.300 -0.058 0.000 0.987 130 D CA 1.511 55.500 54.000 -0.018 0.000 0.829 130 D CB 0.113 40.912 40.800 -0.001 0.000 0.961 130 D HN 0.250 nan 8.370 nan 0.000 0.460 131 R N -0.228 120.257 120.500 -0.025 0.000 2.092 131 R HA -0.017 4.323 4.340 -0.001 0.000 0.231 131 R C 2.407 178.695 176.300 -0.020 0.000 1.119 131 R CA 0.547 56.631 56.100 -0.027 0.000 0.970 131 R CB -0.338 29.962 30.300 -0.001 0.000 0.864 131 R HN 0.299 nan 8.270 nan 0.000 0.440 132 L N 0.335 121.565 121.223 0.011 0.000 2.017 132 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 132 L C 2.357 179.223 176.870 -0.006 0.000 1.073 132 L CA 1.553 56.412 54.840 0.030 0.000 0.745 132 L CB -0.538 41.564 42.059 0.072 0.000 0.894 132 L HN 0.240 nan 8.230 nan 0.000 0.432 133 A N 0.125 122.929 122.820 -0.028 0.000 1.865 133 A HA -0.273 4.047 4.320 -0.001 0.000 0.217 133 A C 2.241 179.760 177.584 -0.108 0.000 1.191 133 A CA 2.056 54.072 52.037 -0.036 0.000 0.623 133 A CB -0.443 18.552 19.000 -0.009 0.000 0.826 133 A HN 0.411 nan 8.150 nan 0.000 0.444 134 K N -0.595 119.668 120.400 -0.228 0.000 2.148 134 K HA 0.040 4.360 4.320 -0.001 0.000 0.204 134 K C 2.155 178.697 176.600 -0.096 0.000 1.050 134 K CA 0.956 57.090 56.287 -0.255 0.000 0.942 134 K CB -0.228 32.097 32.500 -0.291 0.000 0.724 134 K HN 0.451 nan 8.250 nan 0.000 0.446 135 A N 0.650 123.436 122.820 -0.057 0.000 2.016 135 A HA -0.035 4.285 4.320 -0.001 0.000 0.217 135 A C 1.987 179.567 177.584 -0.005 0.000 1.162 135 A CA 1.183 53.207 52.037 -0.021 0.000 0.662 135 A CB 0.004 19.002 19.000 -0.004 0.000 0.812 135 A HN 0.054 nan 8.150 nan 0.000 0.450 136 R N -2.391 118.107 120.500 -0.003 0.000 2.310 136 R HA 0.479 4.819 4.340 -0.001 0.000 0.199 136 R C 1.262 177.569 176.300 0.012 0.000 0.891 136 R CA 1.041 57.145 56.100 0.006 0.000 1.060 136 R CB -0.257 30.046 30.300 0.006 0.000 1.188 136 R HN 0.572 nan 8.270 nan 0.000 0.607 137 A N 0.856 123.688 122.820 0.020 0.000 5.395 137 A HA -0.399 3.921 4.320 -0.001 0.000 0.332 137 A C 1.169 178.777 177.584 0.039 0.000 1.754 137 A CA 1.961 54.028 52.037 0.049 0.000 0.716 137 A CB -1.725 17.306 19.000 0.053 0.000 1.411 137 A HN 0.392 nan 8.150 nan 0.000 0.398 138 D N -0.053 120.367 120.400 0.034 0.000 2.265 138 D HA -0.000 4.639 4.640 -0.001 0.000 0.208 138 D C 1.227 177.536 176.300 0.014 0.000 0.977 138 D CA 1.421 55.435 54.000 0.023 0.000 0.871 138 D CB -0.405 40.406 40.800 0.018 0.000 0.925 138 D HN 0.494 nan 8.370 nan 0.000 0.485 139 D N -0.334 120.073 120.400 0.011 0.000 2.269 139 D HA -0.051 4.589 4.640 -0.001 0.000 0.208 139 D C 0.595 176.895 176.300 -0.001 0.000 0.963 139 D CA 0.033 54.036 54.000 0.004 0.000 0.864 139 D CB -0.063 40.739 40.800 0.004 0.000 0.936 139 D HN 0.146 nan 8.370 nan 0.000 0.505 140 L N 1.746 122.970 121.223 0.000 0.000 2.600 140 L HA 0.018 4.357 4.340 -0.001 0.000 0.278 140 L C 1.168 178.031 176.870 -0.011 0.000 1.139 140 L CA 0.422 55.256 54.840 -0.010 0.000 0.933 140 L CB 0.094 42.147 42.059 -0.010 0.000 1.266 140 L HN -0.093 nan 8.230 nan 0.000 0.471 141 E N 1.274 121.464 120.200 -0.017 0.000 2.140 141 E HA 0.009 4.358 4.350 -0.001 0.000 0.191 141 E C 0.221 176.807 176.600 -0.023 0.000 0.973 141 E CA 0.791 57.181 56.400 -0.015 0.000 0.829 141 E CB 0.410 30.101 29.700 -0.016 0.000 0.781 141 E HN 0.646 nan 8.360 nan 0.000 0.466 142 T N -0.181 114.349 114.554 -0.041 0.000 2.952 142 T HA 0.479 4.828 4.350 -0.001 0.000 0.305 142 T C -1.763 172.880 174.700 -0.095 0.000 1.064 142 T CA -0.903 61.161 62.100 -0.059 0.000 1.008 142 T CB 1.469 70.301 68.868 -0.059 0.000 1.078 142 T HN -0.023 nan 8.240 nan 0.000 0.459 143 L N 3.633 124.791 121.223 -0.108 0.000 2.406 143 L HA 0.696 5.035 4.340 -0.001 0.000 0.272 143 L C -1.097 175.668 176.870 -0.174 0.000 0.980 143 L CA -0.356 54.389 54.840 -0.158 0.000 0.831 143 L CB 1.632 43.616 42.059 -0.124 0.000 1.253 143 L HN 0.737 nan 8.230 nan 0.000 0.406 144 K N 6.906 127.158 120.400 -0.245 0.000 2.449 144 K HA 0.469 4.789 4.320 -0.001 0.000 0.257 144 K C -1.148 175.364 176.600 -0.147 0.000 0.989 144 K CA -0.473 55.653 56.287 -0.268 0.000 0.916 144 K CB 1.332 33.470 32.500 -0.603 0.000 1.136 144 K HN 0.584 nan 8.250 nan 0.000 0.439 145 L N 3.241 124.428 121.223 -0.060 0.000 2.356 145 L HA 0.155 4.495 4.340 -0.001 0.000 0.282 145 L C -0.090 176.846 176.870 0.109 0.000 1.132 145 L CA -0.424 54.446 54.840 0.050 0.000 0.923 145 L CB -0.126 41.902 42.059 -0.052 0.000 1.278 145 L HN 0.500 nan 8.230 nan 0.000 0.436 146 D N 5.027 125.508 120.400 0.136 0.000 2.412 146 D HA 0.152 4.792 4.640 -0.001 0.000 0.224 146 D C 0.223 176.592 176.300 0.116 0.000 1.093 146 D CA -0.438 53.638 54.000 0.126 0.000 0.850 146 D CB 0.588 41.524 40.800 0.228 0.000 1.046 146 D HN 0.321 nan 8.370 nan 0.000 0.507 147 K N 1.670 122.119 120.400 0.081 0.000 3.077 147 K HA -0.173 4.146 4.320 -0.001 0.000 0.264 147 K C -0.338 176.296 176.600 0.058 0.000 1.008 147 K CA 0.345 56.652 56.287 0.033 0.000 0.740 147 K CB -2.144 30.345 32.500 -0.019 0.000 1.273 147 K HN 0.419 nan 8.250 nan 0.000 0.477 148 C N 0.184 119.569 119.300 0.142 0.000 2.354 148 C HA 0.714 5.174 4.460 -0.001 0.000 0.381 148 C C 0.965 176.079 174.990 0.208 0.000 1.240 148 C CA -0.123 59.006 59.018 0.185 0.000 2.089 148 C CB 1.537 29.437 27.740 0.267 0.000 2.234 148 C HN 0.649 nan 8.230 nan 0.000 0.544 149 S N -1.146 114.670 115.700 0.193 0.000 2.638 149 S HA 0.775 5.245 4.470 -0.001 0.000 0.274 149 S C -0.082 174.613 174.600 0.159 0.000 1.157 149 S CA 0.290 58.532 58.200 0.071 0.000 0.826 149 S CB 1.292 64.476 63.200 -0.026 0.000 1.139 149 S HN 2.328 nan 8.310 nan 0.000 0.474 150 G N -0.010 108.808 108.800 0.030 0.000 2.184 150 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.206 150 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.206 150 G C -0.238 174.767 174.900 0.175 0.000 0.995 150 G CA 0.091 45.254 45.100 0.105 0.000 0.651 150 G HN 1.553 nan 8.290 nan 0.000 0.511 151 F N 0.469 120.471 119.950 0.086 0.000 2.671 151 F HA 0.948 5.475 4.527 -0.001 0.000 0.373 151 F C 0.394 176.254 175.800 0.101 0.000 1.122 151 F CA -0.392 57.655 58.000 0.078 0.000 1.082 151 F CB 1.142 40.175 39.000 0.056 0.000 1.399 151 F HN 0.471 nan 8.300 nan 0.000 0.509 152 T N -3.989 110.687 114.554 0.203 0.000 2.778 152 T HA 0.291 4.640 4.350 -0.001 0.000 0.293 152 T C 0.708 175.449 174.700 0.069 0.000 1.144 152 T CA -0.011 62.131 62.100 0.069 0.000 1.010 152 T CB 0.813 69.722 68.868 0.069 0.000 1.325 152 T HN 0.992 nan 8.240 nan 0.000 0.515 153 T N -1.293 113.252 114.554 -0.015 0.000 2.946 153 T HA -0.092 4.258 4.350 -0.001 0.000 0.271 153 T C 1.116 175.843 174.700 0.046 0.000 1.104 153 T CA 1.585 63.664 62.100 -0.034 0.000 1.114 153 T CB -0.777 68.148 68.868 0.095 0.000 0.867 153 T HN 0.611 nan 8.240 nan 0.000 0.513 154 D N 1.709 122.153 120.400 0.073 0.000 2.144 154 D HA 0.016 4.656 4.640 -0.001 0.000 0.200 154 D C 2.392 178.738 176.300 0.077 0.000 0.978 154 D CA 1.323 55.372 54.000 0.082 0.000 0.833 154 D CB -0.893 39.953 40.800 0.078 0.000 0.961 154 D HN 0.588 nan 8.370 nan 0.000 0.470 155 G N 0.914 109.762 108.800 0.081 0.000 2.421 155 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.216 155 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.216 155 G C 1.798 176.695 174.900 -0.005 0.000 1.171 155 G CA 0.240 45.374 45.100 0.057 0.000 0.775 155 G HN 0.236 nan 8.290 nan 0.000 0.543 156 L N -0.320 120.864 121.223 -0.066 0.000 2.046 156 L HA -0.056 4.284 4.340 -0.001 0.000 0.208 156 L C 2.734 179.611 176.870 0.012 0.000 1.077 156 L CA 0.628 55.369 54.840 -0.165 0.000 0.747 156 L CB -0.505 41.235 42.059 -0.531 0.000 0.896 156 L HN 0.221 nan 8.230 nan 0.000 0.432 157 L N -0.503 120.776 121.223 0.093 0.000 2.042 157 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 157 L C 2.759 179.698 176.870 0.116 0.000 1.076 157 L CA 1.958 56.890 54.840 0.153 0.000 0.749 157 L CB -0.613 41.533 42.059 0.144 0.000 0.893 157 L HN 0.161 nan 8.230 nan 0.000 0.432 158 S N -0.642 115.127 115.700 0.115 0.000 2.368 158 S HA -0.182 4.287 4.470 -0.001 0.000 0.225 158 S C 2.054 176.788 174.600 0.222 0.000 1.030 158 S CA 1.601 59.912 58.200 0.185 0.000 0.999 158 S CB -0.571 62.717 63.200 0.148 0.000 0.844 158 S HN 0.601 nan 8.310 nan 0.000 0.459 159 I N 0.598 121.235 120.570 0.112 0.000 2.406 159 I HA 0.055 4.225 4.170 -0.001 0.000 0.249 159 I C 2.081 178.252 176.117 0.091 0.000 1.122 159 I CA 1.177 62.532 61.300 0.091 0.000 1.431 159 I CB -0.648 37.364 38.000 0.020 0.000 1.087 159 I HN 0.215 nan 8.210 nan 0.000 0.424 160 V N -0.288 119.680 119.914 0.090 0.000 2.970 160 V HA -0.092 4.027 4.120 -0.001 0.000 0.260 160 V C 2.373 178.492 176.094 0.042 0.000 1.100 160 V CA 1.851 64.205 62.300 0.090 0.000 1.122 160 V CB -1.811 30.102 31.823 0.150 0.000 0.721 160 V HN 0.725 nan 8.190 nan 0.000 0.483 161 T N -2.039 112.516 114.554 0.002 0.000 3.044 161 T HA 0.008 4.358 4.350 -0.001 0.000 0.255 161 T C 1.638 176.203 174.700 -0.225 0.000 1.073 161 T CA 1.256 63.273 62.100 -0.138 0.000 1.125 161 T CB -0.525 68.215 68.868 -0.213 0.000 0.908 161 T HN 0.604 nan 8.240 nan 0.000 0.480 162 H N -0.477 118.589 119.070 -0.006 0.000 2.547 162 H HA 0.403 4.959 4.556 -0.000 0.000 0.272 162 H C 0.419 175.743 175.328 -0.007 0.000 0.971 162 H CA 0.157 56.200 56.048 -0.009 0.000 1.245 162 H CB 0.189 29.950 29.762 -0.002 0.000 1.440 162 H HN 0.348 nan 8.280 nan 0.000 0.540 163 C N 2.109 121.470 119.300 0.103 0.000 2.170 163 C HA 0.275 4.734 4.460 -0.001 0.000 0.339 163 C C 1.187 176.200 174.990 0.037 0.000 1.056 163 C CA -0.606 58.448 59.018 0.061 0.000 1.535 163 C CB -0.607 27.163 27.740 0.051 0.000 1.785 163 C HN 0.568 nan 8.230 nan 0.000 0.440 164 R N 0.752 121.267 120.500 0.025 0.000 2.297 164 R HA 0.040 4.380 4.340 -0.001 0.000 0.197 164 R C 0.989 177.303 176.300 0.024 0.000 0.943 164 R CA 0.564 56.673 56.100 0.016 0.000 1.038 164 R CB 0.234 30.532 30.300 -0.003 0.000 0.957 164 R HN 0.588 nan 8.270 nan 0.000 0.484 165 K N 0.939 121.352 120.400 0.022 0.000 2.478 165 K HA 0.274 4.594 4.320 -0.001 0.000 0.205 165 K C -0.131 176.479 176.600 0.017 0.000 1.033 165 K CA -0.191 56.107 56.287 0.018 0.000 1.091 165 K CB 0.748 33.256 32.500 0.013 0.000 0.844 165 K HN 0.034 nan 8.250 nan 0.000 0.507 166 I N 2.230 122.813 120.570 0.023 0.000 2.828 166 I HA -0.157 4.013 4.170 -0.001 0.000 0.292 166 I C 1.055 177.184 176.117 0.020 0.000 1.206 166 I CA 0.854 62.165 61.300 0.019 0.000 1.420 166 I CB 0.294 38.312 38.000 0.030 0.000 1.368 166 I HN 0.177 nan 8.210 nan 0.000 0.556 167 K N 3.071 123.476 120.400 0.009 0.000 2.202 167 K HA 0.025 4.344 4.320 -0.001 0.000 0.201 167 K C 0.780 177.386 176.600 0.010 0.000 1.051 167 K CA 0.696 56.988 56.287 0.009 0.000 0.977 167 K CB 0.243 32.742 32.500 -0.001 0.000 0.792 167 K HN 0.744 nan 8.250 nan 0.000 0.469 168 T N 0.441 114.994 114.554 -0.001 0.000 2.937 168 T HA 0.470 4.820 4.350 -0.001 0.000 0.297 168 T C -1.788 172.905 174.700 -0.011 0.000 0.991 168 T CA -0.858 61.239 62.100 -0.006 0.000 0.990 168 T CB 1.126 69.979 68.868 -0.025 0.000 0.991 168 T HN -0.037 nan 8.240 nan 0.000 0.440 169 L N 5.680 126.914 121.223 0.018 0.000 2.372 169 L HA 0.838 5.177 4.340 -0.001 0.000 0.274 169 L C -1.704 175.192 176.870 0.044 0.000 0.988 169 L CA -0.743 54.111 54.840 0.024 0.000 0.833 169 L CB 1.497 43.602 42.059 0.077 0.000 1.236 169 L HN 0.856 nan 8.230 nan 0.000 0.410 170 L N 5.272 126.494 121.223 -0.001 0.000 2.386 170 L HA 0.608 4.948 4.340 -0.001 0.000 0.271 170 L C -0.485 176.418 176.870 0.056 0.000 0.993 170 L CA -0.333 54.523 54.840 0.026 0.000 0.819 170 L CB 2.092 44.120 42.059 -0.053 0.000 1.294 170 L HN 0.864 nan 8.230 nan 0.000 0.414 171 M N 2.740 122.438 119.600 0.163 0.000 2.511 171 M HA 0.243 4.723 4.480 -0.001 0.000 0.387 171 M C -0.085 176.368 176.300 0.255 0.000 1.112 171 M CA -0.203 55.241 55.300 0.240 0.000 0.921 171 M CB 0.819 33.637 32.600 0.364 0.000 1.501 171 M HN 0.582 nan 8.290 nan 0.000 0.538 172 E N 2.226 122.533 120.200 0.179 0.000 2.568 172 E HA -0.159 4.191 4.350 -0.001 0.000 0.262 172 E C 0.065 176.718 176.600 0.088 0.000 0.961 172 E CA 0.886 57.374 56.400 0.147 0.000 0.945 172 E CB 0.326 30.099 29.700 0.122 0.000 0.924 172 E HN 0.349 nan 8.360 nan 0.000 0.467 173 E N 1.072 121.284 120.200 0.020 0.000 2.971 173 E HA -0.248 4.102 4.350 -0.001 0.000 0.271 173 E C -0.894 175.668 176.600 -0.062 0.000 1.053 173 E CA 0.622 56.985 56.400 -0.062 0.000 0.817 173 E CB -0.813 28.847 29.700 -0.068 0.000 1.410 173 E HN 0.379 nan 8.360 nan 0.000 0.445 174 S N 0.031 115.735 115.700 0.007 0.000 2.586 174 S HA 0.359 4.828 4.470 -0.001 0.000 0.274 174 S C -0.062 174.321 174.600 -0.363 0.000 1.281 174 S CA -0.200 58.008 58.200 0.012 0.000 1.035 174 S CB 1.539 64.960 63.200 0.368 0.000 0.962 174 S HN 0.337 nan 8.310 nan 0.000 0.512 175 S N 2.696 118.150 115.700 -0.410 0.000 2.449 175 S HA 0.824 5.294 4.470 -0.001 0.000 0.310 175 S C -0.604 173.514 174.600 -0.804 0.000 1.096 175 S CA -0.795 56.972 58.200 -0.722 0.000 1.095 175 S CB 0.051 62.989 63.200 -0.438 0.000 1.007 175 S HN 0.617 nan 8.310 nan 0.000 0.474 176 F N -0.836 118.762 119.950 -0.586 0.000 2.685 176 F HA 0.778 5.304 4.527 -0.001 0.000 0.315 176 F C -0.504 175.043 175.800 -0.421 0.000 1.126 176 F CA -1.279 56.271 58.000 -0.750 0.000 0.950 176 F CB 1.032 39.309 39.000 -1.206 0.000 1.360 176 F HN 0.394 nan 8.300 nan 0.000 0.469 177 S N 0.437 116.167 115.700 0.050 0.000 2.457 177 S HA 0.208 4.677 4.470 -0.001 0.000 0.289 177 S C -0.657 174.030 174.600 0.145 0.000 1.163 177 S CA -0.612 57.626 58.200 0.062 0.000 1.078 177 S CB 0.896 64.104 63.200 0.014 0.000 0.987 177 S HN 0.634 nan 8.310 nan 0.000 0.482 178 E N 2.938 123.233 120.200 0.159 0.000 2.014 178 E HA 0.187 4.537 4.350 -0.001 0.000 0.275 178 E C 0.127 176.804 176.600 0.129 0.000 0.997 178 E CA -0.226 56.276 56.400 0.171 0.000 0.804 178 E CB 0.301 30.137 29.700 0.226 0.000 1.090 178 E HN 0.467 nan 8.360 nan 0.000 0.401 179 K N 2.610 123.080 120.400 0.117 0.000 2.284 179 K HA 0.057 4.377 4.320 -0.001 0.000 0.198 179 K C -0.307 176.353 176.600 0.100 0.000 1.048 179 K CA 0.855 57.197 56.287 0.092 0.000 0.987 179 K CB 0.301 32.846 32.500 0.075 0.000 0.800 179 K HN 0.565 nan 8.250 nan 0.000 0.486 180 D N -3.241 117.242 120.400 0.138 0.000 2.713 180 D HA 0.171 4.811 4.640 -0.001 0.000 0.306 180 D C 0.010 176.406 176.300 0.159 0.000 1.299 180 D CA -0.878 53.193 54.000 0.118 0.000 0.823 180 D CB 0.508 41.356 40.800 0.080 0.000 1.353 180 D HN -0.121 nan 8.370 nan 0.000 0.447 181 G N -1.201 107.632 108.800 0.055 0.000 3.502 181 G HA2 0.067 4.027 3.960 -0.001 0.000 0.267 181 G HA3 0.067 4.027 3.960 -0.001 0.000 0.267 181 G C 0.551 175.336 174.900 -0.191 0.000 1.090 181 G CA -0.314 44.739 45.100 -0.078 0.000 0.795 181 G HN 0.446 nan 8.290 nan 0.000 0.535 182 K N 0.493 120.877 120.400 -0.026 0.000 2.365 182 K HA -0.042 4.278 4.320 -0.001 0.000 0.199 182 K C 2.107 178.715 176.600 0.013 0.000 1.045 182 K CA 0.595 56.878 56.287 -0.007 0.000 0.962 182 K CB -0.218 32.303 32.500 0.034 0.000 0.759 182 K HN 0.584 nan 8.250 nan 0.000 0.469 183 W N 1.801 123.083 121.300 -0.030 0.000 2.335 183 W HA -0.148 4.512 4.660 -0.000 0.000 0.311 183 W C 1.421 177.905 176.519 -0.059 0.000 1.213 183 W CA 0.449 57.763 57.345 -0.052 0.000 1.274 183 W CB -1.063 28.339 29.460 -0.096 0.000 1.148 183 W HN -0.005 nan 8.180 nan 0.000 0.498 184 L N 0.574 121.018 121.223 -1.299 0.000 2.046 184 L HA -0.256 4.084 4.340 -0.001 0.000 0.208 184 L C 2.970 179.583 176.870 -0.429 0.000 1.077 184 L CA 2.495 56.676 54.840 -1.097 0.000 0.747 184 L CB -0.906 40.385 42.059 -1.280 0.000 0.896 184 L HN 0.075 nan 8.230 nan 0.000 0.432 185 H N -0.316 118.525 119.070 -0.382 0.000 2.387 185 H HA -0.257 4.299 4.556 -0.000 0.000 0.299 185 H C 2.102 177.369 175.328 -0.100 0.000 1.090 185 H CA 2.096 58.026 56.048 -0.197 0.000 1.332 185 H CB 0.234 29.906 29.762 -0.149 0.000 1.386 185 H HN 0.286 nan 8.280 nan 0.000 0.516 186 E N 0.174 120.379 120.200 0.008 0.000 2.106 186 E HA -0.105 4.245 4.350 -0.001 0.000 0.192 186 E C 2.211 178.832 176.600 0.035 0.000 0.984 186 E CA 1.078 57.518 56.400 0.067 0.000 0.806 186 E CB -0.341 29.422 29.700 0.104 0.000 0.750 186 E HN 0.576 nan 8.360 nan 0.000 0.458 187 L N -0.142 121.073 121.223 -0.013 0.000 2.017 187 L HA -0.136 4.204 4.340 -0.001 0.000 0.208 187 L C 2.496 179.327 176.870 -0.065 0.000 1.073 187 L CA 1.123 55.962 54.840 -0.002 0.000 0.745 187 L CB -0.592 41.474 42.059 0.011 0.000 0.894 187 L HN 0.243 nan 8.230 nan 0.000 0.432 188 A N -0.826 121.898 122.820 -0.159 0.000 1.978 188 A HA -0.268 4.052 4.320 -0.001 0.000 0.220 188 A C 2.193 179.633 177.584 -0.240 0.000 1.170 188 A CA 1.716 53.632 52.037 -0.202 0.000 0.636 188 A CB -0.387 18.443 19.000 -0.284 0.000 0.810 188 A HN 0.516 nan 8.150 nan 0.000 0.448 189 Q N -2.326 117.299 119.800 -0.292 0.000 2.302 189 Q HA -0.010 4.330 4.340 -0.001 0.000 0.202 189 Q C 1.068 176.755 176.000 -0.521 0.000 0.936 189 Q CA 0.974 56.519 55.803 -0.430 0.000 0.886 189 Q CB 0.152 28.602 28.738 -0.480 0.000 0.986 189 Q HN 0.870 nan 8.270 nan 0.000 0.487 190 H N -2.179 116.842 119.070 -0.082 0.000 3.622 190 H HA 0.175 4.731 4.556 -0.001 0.000 0.259 190 H C -0.237 175.071 175.328 -0.034 0.000 1.145 190 H CA -0.165 55.854 56.048 -0.049 0.000 1.178 190 H CB 0.661 30.399 29.762 -0.040 0.000 1.542 190 H HN 0.077 nan 8.280 nan 0.000 0.586 191 N N 0.603 119.341 118.700 0.065 0.000 2.479 191 N HA 0.079 4.819 4.740 -0.001 0.000 0.285 191 N C 0.527 176.049 175.510 0.020 0.000 1.075 191 N CA 0.207 53.285 53.050 0.047 0.000 0.967 191 N CB 1.585 40.101 38.487 0.048 0.000 1.137 191 N HN -0.117 nan 8.380 nan 0.000 0.472 192 T N -0.238 114.328 114.554 0.021 0.000 2.975 192 T HA 0.056 4.406 4.350 -0.001 0.000 0.261 192 T C 1.048 175.755 174.700 0.012 0.000 0.984 192 T CA 0.276 62.382 62.100 0.010 0.000 0.911 192 T CB 0.080 68.953 68.868 0.007 0.000 1.127 192 T HN 0.644 nan 8.240 nan 0.000 0.514 193 S N 0.344 116.055 115.700 0.019 0.000 2.512 193 S HA 0.317 4.786 4.470 -0.001 0.000 0.216 193 S C 0.485 175.098 174.600 0.021 0.000 1.006 193 S CA -0.447 57.763 58.200 0.016 0.000 0.915 193 S CB -0.161 63.048 63.200 0.014 0.000 0.824 193 S HN 0.182 nan 8.310 nan 0.000 0.497 194 L N 3.081 124.323 121.223 0.031 0.000 2.678 194 L HA 0.064 4.404 4.340 -0.001 0.000 0.285 194 L C 1.051 177.943 176.870 0.036 0.000 1.233 194 L CA 0.927 55.792 54.840 0.042 0.000 0.920 194 L CB -0.153 41.942 42.059 0.061 0.000 1.176 194 L HN 0.313 nan 8.230 nan 0.000 0.495 195 E N 2.517 122.735 120.200 0.030 0.000 2.256 195 E HA 0.157 4.507 4.350 -0.001 0.000 0.198 195 E C -0.526 176.092 176.600 0.030 0.000 0.908 195 E CA 0.269 56.684 56.400 0.024 0.000 0.915 195 E CB 0.907 30.612 29.700 0.009 0.000 0.890 195 E HN 0.433 nan 8.360 nan 0.000 0.484 196 V N 0.997 120.927 119.914 0.027 0.000 2.686 196 V HA 0.575 4.695 4.120 -0.001 0.000 0.306 196 V C -2.027 174.090 176.094 0.038 0.000 1.065 196 V CA -0.957 61.358 62.300 0.024 0.000 0.894 196 V CB 1.943 33.764 31.823 -0.003 0.000 1.004 196 V HN 0.041 nan 8.190 nan 0.000 0.424 197 L N 5.537 126.788 121.223 0.047 0.000 2.406 197 L HA 0.755 5.094 4.340 -0.001 0.000 0.272 197 L C -1.095 175.781 176.870 0.010 0.000 0.980 197 L CA -0.038 54.856 54.840 0.090 0.000 0.831 197 L CB 1.828 43.969 42.059 0.137 0.000 1.253 197 L HN 0.912 nan 8.230 nan 0.000 0.406 198 N N 4.932 123.672 118.700 0.066 0.000 2.581 198 N HA 0.320 5.060 4.740 -0.001 0.000 0.279 198 N C -1.531 174.081 175.510 0.170 0.000 1.124 198 N CA -0.394 52.649 53.050 -0.011 0.000 0.833 198 N CB 0.693 39.178 38.487 -0.004 0.000 1.338 198 N HN 0.476 nan 8.380 nan 0.000 0.533 199 F N 2.824 122.872 119.950 0.163 0.000 2.739 199 F HA 0.378 4.905 4.527 -0.000 0.000 0.345 199 F C 0.809 176.748 175.800 0.231 0.000 1.373 199 F CA -0.959 57.194 58.000 0.255 0.000 1.160 199 F CB -0.226 39.031 39.000 0.428 0.000 1.137 199 F HN 0.214 nan 8.300 nan 0.000 0.524 200 Y N 2.131 122.427 120.300 -0.007 0.000 2.097 200 Y HA -0.107 4.442 4.550 -0.001 0.000 0.282 200 Y C 1.395 177.251 175.900 -0.073 0.000 1.152 200 Y CA 1.668 59.706 58.100 -0.103 0.000 1.136 200 Y CB 0.069 38.462 38.460 -0.112 0.000 0.975 200 Y HN 0.439 nan 8.280 nan 0.000 0.498 201 M N 1.742 121.267 119.600 -0.124 0.000 3.157 201 M HA 0.274 4.753 4.480 -0.001 0.000 0.213 201 M C -1.034 175.162 176.300 -0.174 0.000 1.177 201 M CA -0.141 54.950 55.300 -0.348 0.000 1.109 201 M CB -0.293 32.062 32.600 -0.410 0.000 1.262 201 M HN 0.187 nan 8.290 nan 0.000 0.570 202 T N -1.285 113.226 114.554 -0.071 0.000 2.956 202 T HA 0.534 4.883 4.350 -0.001 0.000 0.312 202 T C -0.857 173.787 174.700 -0.093 0.000 1.151 202 T CA -0.939 61.111 62.100 -0.083 0.000 1.024 202 T CB 1.422 70.360 68.868 0.117 0.000 1.140 202 T HN 0.384 nan 8.240 nan 0.000 0.473 203 E N 2.648 122.688 120.200 -0.266 0.000 1.932 203 E HA 0.280 4.630 4.350 -0.001 0.000 0.275 203 E C -1.221 175.240 176.600 -0.231 0.000 1.159 203 E CA -0.169 56.113 56.400 -0.197 0.000 0.905 203 E CB -0.072 29.488 29.700 -0.233 0.000 1.059 203 E HN 0.545 nan 8.360 nan 0.000 0.400 204 F N 0.752 120.743 119.950 0.068 0.000 2.449 204 F HA 0.402 4.929 4.527 -0.001 0.000 0.342 204 F C 0.830 176.633 175.800 0.006 0.000 1.127 204 F CA -0.721 57.317 58.000 0.064 0.000 0.975 204 F CB 1.965 40.965 39.000 -0.000 0.000 1.146 204 F HN 0.479 nan 8.300 nan 0.000 0.444 205 A N 2.682 125.636 122.820 0.224 0.000 2.419 205 A HA 0.237 4.557 4.320 -0.001 0.000 0.233 205 A C 1.140 178.812 177.584 0.146 0.000 1.217 205 A CA -0.042 52.081 52.037 0.143 0.000 0.944 205 A CB 0.052 19.107 19.000 0.093 0.000 1.025 205 A HN 0.702 nan 8.150 nan 0.000 0.524 206 K N 0.604 121.111 120.400 0.178 0.000 2.414 206 K HA 0.314 4.634 4.320 -0.001 0.000 0.204 206 K C -0.009 176.635 176.600 0.074 0.000 1.026 206 K CA -0.058 56.303 56.287 0.122 0.000 1.108 206 K CB 0.307 32.880 32.500 0.121 0.000 0.855 206 K HN 0.705 nan 8.250 nan 0.000 0.517 207 I N -2.116 118.496 120.570 0.071 0.000 2.577 207 I HA 0.354 4.523 4.170 -0.001 0.000 0.305 207 I C -0.104 176.096 176.117 0.138 0.000 0.986 207 I CA -0.795 60.483 61.300 -0.037 0.000 1.189 207 I CB 1.833 39.678 38.000 -0.260 0.000 1.355 207 I HN -0.229 nan 8.210 nan 0.000 0.476 208 S N 5.368 121.096 115.700 0.045 0.000 2.429 208 S HA 0.459 4.929 4.470 -0.001 0.000 0.302 208 S C -1.315 173.232 174.600 -0.088 0.000 1.115 208 S CA -1.644 56.571 58.200 0.024 0.000 1.095 208 S CB 1.060 64.247 63.200 -0.021 0.000 0.987 208 S HN 0.638 nan 8.310 nan 0.000 0.474 209 P HA -0.119 nan 4.420 nan 0.000 0.219 209 P C 0.962 178.068 177.300 -0.324 0.000 1.146 209 P CA 0.876 63.561 63.100 -0.693 0.000 0.808 209 P CB 0.145 31.347 31.700 -0.830 0.000 0.779 210 K N 0.447 120.736 120.400 -0.185 0.000 2.044 210 K HA -0.156 4.163 4.320 -0.001 0.000 0.210 210 K C 1.748 178.294 176.600 -0.090 0.000 1.049 210 K CA 1.253 57.475 56.287 -0.108 0.000 0.927 210 K CB -1.185 31.277 32.500 -0.063 0.000 0.713 210 K HN 0.206 nan 8.250 nan 0.000 0.443 211 D N 0.843 121.191 120.400 -0.087 0.000 2.149 211 D HA -0.144 4.495 4.640 -0.001 0.000 0.198 211 D C 1.960 178.204 176.300 -0.094 0.000 0.990 211 D CA 0.648 54.587 54.000 -0.101 0.000 0.839 211 D CB -0.053 40.677 40.800 -0.118 0.000 0.948 211 D HN 0.023 nan 8.370 nan 0.000 0.460 212 L N 1.295 122.462 121.223 -0.094 0.000 2.044 212 L HA -0.095 4.244 4.340 -0.001 0.000 0.205 212 L C 2.221 179.134 176.870 0.072 0.000 1.075 212 L CA 1.719 56.526 54.840 -0.055 0.000 0.747 212 L CB -0.593 41.364 42.059 -0.170 0.000 0.903 212 L HN -0.059 nan 8.230 nan 0.000 0.435 213 E N -1.273 118.956 120.200 0.049 0.000 2.097 213 E HA -0.318 4.032 4.350 -0.001 0.000 0.196 213 E C 2.036 178.664 176.600 0.046 0.000 1.000 213 E CA 1.921 58.391 56.400 0.117 0.000 0.804 213 E CB -0.235 29.471 29.700 0.010 0.000 0.740 213 E HN 0.601 nan 8.360 nan 0.000 0.454 214 T N -0.556 113.991 114.554 -0.013 0.000 2.951 214 T HA -0.056 4.293 4.350 -0.001 0.000 0.268 214 T C 1.886 176.569 174.700 -0.029 0.000 1.073 214 T CA 0.990 63.066 62.100 -0.041 0.000 1.134 214 T CB -0.270 68.548 68.868 -0.083 0.000 0.884 214 T HN 0.232 nan 8.240 nan 0.000 0.479 215 I N 1.347 121.918 120.570 0.002 0.000 2.252 215 I HA -0.046 4.123 4.170 -0.001 0.000 0.245 215 I C 3.121 179.273 176.117 0.057 0.000 1.102 215 I CA 1.128 62.444 61.300 0.026 0.000 1.385 215 I CB -0.638 37.394 38.000 0.053 0.000 1.064 215 I HN 0.350 nan 8.210 nan 0.000 0.414 216 A N 0.771 123.656 122.820 0.109 0.000 1.933 216 A HA -0.254 4.066 4.320 -0.001 0.000 0.218 216 A C 2.388 179.950 177.584 -0.037 0.000 1.175 216 A CA 1.808 53.864 52.037 0.032 0.000 0.628 216 A CB -0.611 18.330 19.000 -0.098 0.000 0.814 216 A HN 0.319 nan 8.150 nan 0.000 0.444 217 R N -0.530 119.951 120.500 -0.033 0.000 2.115 217 R HA -0.050 4.290 4.340 -0.001 0.000 0.230 217 R C 1.325 177.601 176.300 -0.040 0.000 1.111 217 R CA 1.545 57.616 56.100 -0.048 0.000 0.976 217 R CB -0.083 30.188 30.300 -0.048 0.000 0.870 217 R HN 0.498 nan 8.270 nan 0.000 0.445 218 N N -1.287 117.395 118.700 -0.030 0.000 2.356 218 N HA 0.036 4.776 4.740 -0.001 0.000 0.178 218 N C -0.662 174.838 175.510 -0.016 0.000 1.075 218 N CA 0.333 53.365 53.050 -0.029 0.000 0.889 218 N CB 0.575 39.039 38.487 -0.038 0.000 0.999 218 N HN 0.080 nan 8.380 nan 0.000 0.464 219 C N 1.706 121.003 119.300 -0.005 0.000 2.206 219 C HA 0.373 4.833 4.460 -0.001 0.000 0.324 219 C C 1.597 176.585 174.990 -0.002 0.000 1.120 219 C CA -0.751 58.270 59.018 0.005 0.000 1.546 219 C CB 0.198 27.954 27.740 0.027 0.000 2.023 219 C HN 0.191 nan 8.230 nan 0.000 0.448 220 R N 1.018 121.513 120.500 -0.009 0.000 2.189 220 R HA -0.009 4.330 4.340 -0.001 0.000 0.218 220 R C 1.667 177.961 176.300 -0.011 0.000 1.074 220 R CA 0.890 56.980 56.100 -0.015 0.000 0.991 220 R CB -0.079 30.211 30.300 -0.017 0.000 0.883 220 R HN 0.599 nan 8.270 nan 0.000 0.457 221 S N 0.038 115.736 115.700 -0.002 0.000 2.582 221 S HA 0.174 4.644 4.470 -0.001 0.000 0.234 221 S C -0.205 174.401 174.600 0.011 0.000 0.961 221 S CA -0.542 57.658 58.200 0.001 0.000 0.953 221 S CB 0.087 63.288 63.200 0.001 0.000 0.800 221 S HN 0.059 nan 8.310 nan 0.000 0.471 222 L N 2.641 123.875 121.223 0.018 0.000 2.530 222 L HA 0.178 4.518 4.340 -0.001 0.000 0.273 222 L C 0.717 177.612 176.870 0.041 0.000 1.141 222 L CA 0.620 55.486 54.840 0.042 0.000 0.905 222 L CB 0.337 42.434 42.059 0.064 0.000 1.202 222 L HN 0.035 nan 8.230 nan 0.000 0.473 223 V N 2.512 122.452 119.914 0.044 0.000 3.151 223 V HA 0.250 4.370 4.120 -0.001 0.000 0.241 223 V C 0.699 176.828 176.094 0.059 0.000 1.173 223 V CA 0.693 63.015 62.300 0.038 0.000 1.154 223 V CB 0.557 32.390 31.823 0.017 0.000 0.898 223 V HN 0.768 nan 8.190 nan 0.000 0.473 224 S N 0.507 116.244 115.700 0.061 0.000 2.594 224 S HA 0.671 5.141 4.470 -0.001 0.000 0.296 224 S C -1.229 173.409 174.600 0.064 0.000 1.124 224 S CA -0.371 57.861 58.200 0.054 0.000 1.011 224 S CB 1.634 64.834 63.200 -0.001 0.000 1.016 224 S HN 0.438 nan 8.310 nan 0.000 0.485 225 V N 4.169 124.136 119.914 0.089 0.000 2.686 225 V HA 0.770 4.890 4.120 -0.001 0.000 0.306 225 V C -1.562 174.377 176.094 -0.259 0.000 1.065 225 V CA -0.639 61.654 62.300 -0.012 0.000 0.894 225 V CB 1.725 33.611 31.823 0.106 0.000 1.004 225 V HN 0.898 nan 8.190 nan 0.000 0.424 226 K N 4.214 124.368 120.400 -0.410 0.000 2.375 226 K HA 0.918 5.238 4.320 -0.001 0.000 0.249 226 K C -1.529 174.683 176.600 -0.647 0.000 0.942 226 K CA -0.811 55.137 56.287 -0.566 0.000 0.806 226 K CB 2.709 34.929 32.500 -0.468 0.000 1.227 226 K HN 0.618 nan 8.250 nan 0.000 0.430 227 V N 0.351 119.969 119.914 -0.495 0.000 3.232 227 V HA 0.459 4.579 4.120 -0.001 0.000 0.303 227 V C 0.148 176.195 176.094 -0.078 0.000 1.311 227 V CA -0.621 61.365 62.300 -0.524 0.000 1.061 227 V CB 2.337 33.967 31.823 -0.321 0.000 1.085 227 V HN 0.995 nan 8.190 nan 0.000 0.447 228 G N -0.331 108.506 108.800 0.061 0.000 2.783 228 G HA2 0.224 4.183 3.960 -0.001 0.000 0.182 228 G HA3 0.224 4.183 3.960 -0.001 0.000 0.182 228 G C -0.222 174.694 174.900 0.027 0.000 1.516 228 G CA -0.000 45.142 45.100 0.071 0.000 1.079 228 G HN 0.652 nan 8.290 nan 0.000 0.573 229 D N 0.425 120.843 120.400 0.030 0.000 2.676 229 D HA 0.179 4.819 4.640 -0.001 0.000 0.239 229 D C -0.047 176.371 176.300 0.198 0.000 1.213 229 D CA -0.118 53.966 54.000 0.140 0.000 0.835 229 D CB -0.523 40.363 40.800 0.143 0.000 1.009 229 D HN 0.141 nan 8.370 nan 0.000 0.479 230 F N 1.346 121.412 119.950 0.193 0.000 2.608 230 F HA -0.067 4.459 4.527 -0.001 0.000 0.380 230 F C 1.619 177.519 175.800 0.168 0.000 1.083 230 F CA -0.251 57.844 58.000 0.158 0.000 1.266 230 F CB 0.654 39.734 39.000 0.133 0.000 1.076 230 F HN -0.186 nan 8.300 nan 0.000 0.574 231 E N 3.980 124.394 120.200 0.358 0.000 2.498 231 E HA -0.058 4.292 4.350 -0.001 0.000 0.252 231 E C 0.993 177.744 176.600 0.252 0.000 1.025 231 E CA 0.147 56.708 56.400 0.268 0.000 0.938 231 E CB 0.569 30.388 29.700 0.198 0.000 0.947 231 E HN 0.543 nan 8.360 nan 0.000 0.478 232 I N 4.744 125.485 120.570 0.285 0.000 2.236 232 I HA -0.351 3.818 4.170 -0.001 0.000 0.249 232 I C 2.183 178.444 176.117 0.240 0.000 1.102 232 I CA 1.084 62.544 61.300 0.265 0.000 1.365 232 I CB -0.159 37.957 38.000 0.194 0.000 1.051 232 I HN 0.601 nan 8.210 nan 0.000 0.420 233 L N -0.268 121.132 121.223 0.295 0.000 2.127 233 L HA -0.252 4.088 4.340 -0.001 0.000 0.211 233 L C 2.213 179.130 176.870 0.080 0.000 1.089 233 L CA 1.404 56.361 54.840 0.195 0.000 0.757 233 L CB -0.529 41.617 42.059 0.145 0.000 0.899 233 L HN 0.327 nan 8.230 nan 0.000 0.434 234 E N -0.346 119.882 120.200 0.046 0.000 2.478 234 E HA -0.100 4.250 4.350 -0.001 0.000 0.198 234 E C 1.607 178.131 176.600 -0.126 0.000 1.046 234 E CA 0.429 56.799 56.400 -0.051 0.000 0.870 234 E CB 0.160 29.809 29.700 -0.084 0.000 0.818 234 E HN 0.522 nan 8.360 nan 0.000 0.527 235 L N 0.223 121.385 121.223 -0.100 0.000 2.700 235 L HA 0.068 4.408 4.340 -0.001 0.000 0.234 235 L C 1.674 178.469 176.870 -0.126 0.000 1.156 235 L CA -0.224 54.483 54.840 -0.221 0.000 0.946 235 L CB 0.528 42.340 42.059 -0.412 0.000 1.216 235 L HN 0.001 nan 8.230 nan 0.000 0.493 236 V N 0.564 120.483 119.914 0.009 0.000 2.407 236 V HA -0.206 3.914 4.120 -0.001 0.000 0.248 236 V C 2.530 178.637 176.094 0.021 0.000 1.055 236 V CA 2.256 64.598 62.300 0.071 0.000 1.049 236 V CB -0.723 31.119 31.823 0.031 0.000 0.662 236 V HN 0.617 nan 8.190 nan 0.000 0.455 237 G N -0.882 107.906 108.800 -0.020 0.000 2.402 237 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.216 237 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.216 237 G C 1.532 176.402 174.900 -0.050 0.000 1.162 237 G CA 0.908 45.987 45.100 -0.035 0.000 0.777 237 G HN 0.489 nan 8.290 nan 0.000 0.539 238 F N 1.105 120.931 119.950 -0.208 0.000 2.065 238 F HA -0.088 4.438 4.527 -0.001 0.000 0.298 238 F C 2.320 178.005 175.800 -0.192 0.000 1.112 238 F CA 1.629 59.473 58.000 -0.259 0.000 1.212 238 F CB -0.439 38.306 39.000 -0.427 0.000 0.975 238 F HN 0.155 nan 8.300 nan 0.000 0.476 239 F N 0.558 120.354 119.950 -0.258 0.000 2.171 239 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 239 F C 2.394 177.999 175.800 -0.325 0.000 1.090 239 F CA 1.279 59.060 58.000 -0.366 0.000 1.293 239 F CB -0.438 38.421 39.000 -0.234 0.000 1.013 239 F HN -0.109 nan 8.300 nan 0.000 0.486 240 K N 0.179 120.548 120.400 -0.051 0.000 2.097 240 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 240 K C 2.189 178.710 176.600 -0.133 0.000 1.049 240 K CA 1.192 57.428 56.287 -0.085 0.000 0.933 240 K CB -0.345 32.117 32.500 -0.065 0.000 0.717 240 K HN 0.217 nan 8.250 nan 0.000 0.442 241 A N 1.088 123.795 122.820 -0.187 0.000 2.016 241 A HA 0.102 4.422 4.320 -0.001 0.000 0.217 241 A C 1.515 178.959 177.584 -0.233 0.000 1.162 241 A CA 0.906 52.833 52.037 -0.183 0.000 0.662 241 A CB -0.057 18.848 19.000 -0.157 0.000 0.812 241 A HN 0.241 nan 8.150 nan 0.000 0.450 242 A N 0.098 122.691 122.820 -0.377 0.000 3.091 242 A HA 0.592 4.912 4.320 -0.001 0.000 0.264 242 A C 1.505 178.979 177.584 -0.184 0.000 1.673 242 A CA 0.509 52.333 52.037 -0.356 0.000 1.362 242 A CB -0.896 17.701 19.000 -0.672 0.000 1.137 242 A HN 0.807 nan 8.150 nan 0.000 0.617 243 A N 1.387 124.129 122.820 -0.130 0.000 1.917 243 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 243 A C 1.632 179.175 177.584 -0.068 0.000 1.182 243 A CA 1.788 53.771 52.037 -0.089 0.000 0.633 243 A CB -0.315 18.642 19.000 -0.072 0.000 0.819 243 A HN 0.601 nan 8.150 nan 0.000 0.448 244 N N -0.516 118.151 118.700 -0.055 0.000 2.322 244 N HA 0.124 4.864 4.740 -0.001 0.000 0.194 244 N C -0.199 175.302 175.510 -0.016 0.000 1.126 244 N CA -0.143 52.887 53.050 -0.033 0.000 0.845 244 N CB -0.247 38.227 38.487 -0.023 0.000 0.976 244 N HN 0.354 nan 8.380 nan 0.000 0.475 245 L N 1.506 122.720 121.223 -0.014 0.000 2.559 245 L HA -0.033 4.307 4.340 -0.001 0.000 0.274 245 L C 1.149 178.038 176.870 0.032 0.000 1.205 245 L CA 0.882 55.745 54.840 0.039 0.000 0.907 245 L CB 0.436 42.545 42.059 0.084 0.000 1.153 245 L HN 0.156 nan 8.230 nan 0.000 0.490 246 E N 2.395 122.621 120.200 0.044 0.000 2.434 246 E HA 0.118 4.467 4.350 -0.001 0.000 0.207 246 E C -0.203 176.423 176.600 0.044 0.000 0.929 246 E CA 0.048 56.463 56.400 0.025 0.000 1.001 246 E CB 0.779 30.485 29.700 0.010 0.000 1.016 246 E HN 0.646 nan 8.360 nan 0.000 0.502 247 E N 0.485 120.733 120.200 0.081 0.000 2.256 247 E HA 0.406 4.756 4.350 -0.001 0.000 0.268 247 E C -1.862 174.854 176.600 0.193 0.000 0.877 247 E CA -0.649 55.798 56.400 0.077 0.000 0.757 247 E CB 1.530 31.233 29.700 0.004 0.000 1.183 247 E HN -0.072 nan 8.360 nan 0.000 0.418 248 F N 4.636 124.606 119.950 0.034 0.000 2.573 248 F HA 0.555 5.082 4.527 -0.001 0.000 0.316 248 F C -1.645 174.148 175.800 -0.011 0.000 1.148 248 F CA -0.505 57.548 58.000 0.088 0.000 0.940 248 F CB 1.019 40.207 39.000 0.312 0.000 1.214 248 F HN 0.588 nan 8.300 nan 0.000 0.448 249 C N 4.015 122.799 119.300 -0.860 0.000 2.634 249 C HA 1.017 5.477 4.460 -0.001 0.000 0.313 249 C C 0.542 175.031 174.990 -0.835 0.000 1.198 249 C CA 0.000 58.577 59.018 -0.736 0.000 1.605 249 C CB 0.740 27.908 27.740 -0.953 0.000 2.196 249 C HN 1.380 nan 8.230 nan 0.000 0.486 250 G N 1.012 109.685 108.800 -0.211 0.000 2.408 250 G HA2 0.500 4.459 3.960 -0.001 0.000 0.204 250 G HA3 0.500 4.459 3.960 -0.001 0.000 0.204 250 G C 0.131 175.164 174.900 0.221 0.000 1.186 250 G CA 0.227 45.351 45.100 0.041 0.000 1.139 250 G HN 2.687 nan 8.290 nan 0.000 0.563 251 G N -1.381 107.594 108.800 0.291 0.000 2.877 251 G HA2 0.344 4.304 3.960 -0.001 0.000 0.279 251 G HA3 0.344 4.304 3.960 -0.001 0.000 0.279 251 G C 0.155 175.262 174.900 0.345 0.000 1.431 251 G CA 1.024 46.383 45.100 0.431 0.000 0.883 251 G HN 2.254 nan 8.290 nan 0.000 0.547 252 S N -0.907 115.009 115.700 0.360 0.000 2.594 252 S HA 0.643 5.113 4.470 -0.001 0.000 0.296 252 S C -0.131 174.645 174.600 0.292 0.000 1.124 252 S CA -0.693 57.741 58.200 0.390 0.000 1.011 252 S CB 0.784 64.180 63.200 0.327 0.000 1.016 252 S HN 0.792 nan 8.310 nan 0.000 0.485 253 L N 5.547 126.927 121.223 0.262 0.000 2.270 253 L HA 0.468 4.808 4.340 -0.001 0.000 0.286 253 L C -0.262 176.754 176.870 0.243 0.000 1.059 253 L CA -0.483 54.430 54.840 0.123 0.000 0.839 253 L CB 0.522 42.552 42.059 -0.049 0.000 1.221 253 L HN 0.573 nan 8.230 nan 0.000 0.431 254 N N 4.164 123.059 118.700 0.325 0.000 2.546 254 N HA 0.140 4.880 4.740 -0.001 0.000 0.238 254 N C -0.429 175.227 175.510 0.243 0.000 0.984 254 N CA -0.422 52.760 53.050 0.220 0.000 0.935 254 N CB 1.544 40.116 38.487 0.142 0.000 1.122 254 N HN 0.607 nan 8.380 nan 0.000 0.510 255 E N 1.244 121.567 120.200 0.205 0.000 2.331 255 E HA 0.167 4.517 4.350 -0.001 0.000 0.272 255 E C -0.881 175.756 176.600 0.062 0.000 1.036 255 E CA -0.575 55.911 56.400 0.143 0.000 0.864 255 E CB 0.882 30.667 29.700 0.142 0.000 1.035 255 E HN 0.407 nan 8.360 nan 0.000 0.408 256 D N 3.985 124.396 120.400 0.018 0.000 2.619 256 D HA 0.120 4.760 4.640 -0.001 0.000 0.241 256 D C 1.014 177.313 176.300 -0.001 0.000 1.087 256 D CA -0.758 53.246 54.000 0.006 0.000 0.851 256 D CB 1.233 42.029 40.800 -0.007 0.000 1.474 256 D HN 0.346 nan 8.370 nan 0.000 0.478 257 I N 1.670 122.243 120.570 0.005 0.000 2.335 257 I HA -0.156 4.013 4.170 -0.001 0.000 0.251 257 I C 2.517 178.631 176.117 -0.005 0.000 1.129 257 I CA 1.248 62.551 61.300 0.004 0.000 1.402 257 I CB -1.714 36.290 38.000 0.007 0.000 1.069 257 I HN 0.721 nan 8.210 nan 0.000 0.424 258 G N 1.787 110.580 108.800 -0.011 0.000 2.553 258 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.218 258 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.218 258 G C 0.990 175.874 174.900 -0.027 0.000 1.195 258 G CA 0.439 45.529 45.100 -0.017 0.000 0.779 258 G HN 0.361 nan 8.290 nan 0.000 0.577 259 M N 2.144 121.718 119.600 -0.042 0.000 2.080 259 M HA 0.221 4.701 4.480 -0.001 0.000 0.350 259 M C -1.616 174.654 176.300 -0.050 0.000 1.143 259 M CA -1.740 53.525 55.300 -0.059 0.000 1.064 259 M CB 2.266 34.806 32.600 -0.101 0.000 1.429 259 M HN 0.013 nan 8.290 nan 0.000 0.418 260 P HA -0.108 nan 4.420 nan 0.000 0.219 260 P C 0.160 177.456 177.300 -0.007 0.000 1.150 260 P CA 1.303 64.398 63.100 -0.008 0.000 0.814 260 P CB 0.311 32.010 31.700 -0.002 0.000 0.787 261 E N -0.269 119.916 120.200 -0.024 0.000 2.723 261 E HA 0.094 4.444 4.350 -0.001 0.000 0.219 261 E C 1.392 177.948 176.600 -0.073 0.000 1.060 261 E CA -0.297 56.092 56.400 -0.019 0.000 1.291 261 E CB 0.163 29.858 29.700 -0.007 0.000 1.265 261 E HN 0.126 nan 8.360 nan 0.000 0.438 262 K N 0.082 120.388 120.400 -0.157 0.000 2.077 262 K HA -0.230 4.090 4.320 -0.001 0.000 0.213 262 K C 0.564 176.889 176.600 -0.458 0.000 1.051 262 K CA 1.726 57.786 56.287 -0.377 0.000 0.929 262 K CB 0.111 32.246 32.500 -0.608 0.000 0.715 262 K HN 0.218 nan 8.250 nan 0.000 0.451 263 Y N -1.496 118.807 120.300 0.005 0.000 2.858 263 Y HA 0.015 4.565 4.550 -0.000 0.000 0.196 263 Y C 1.635 177.524 175.900 -0.018 0.000 0.925 263 Y CA -0.115 57.983 58.100 -0.005 0.000 1.172 263 Y CB 0.001 38.468 38.460 0.011 0.000 1.050 263 Y HN -0.172 nan 8.280 nan 0.000 0.460 264 M N -1.188 118.516 119.600 0.174 0.000 2.816 264 M HA -0.336 4.143 4.480 -0.001 0.000 0.152 264 M C -0.409 175.917 176.300 0.043 0.000 0.690 264 M CA 1.279 56.625 55.300 0.078 0.000 0.578 264 M CB -2.022 30.609 32.600 0.051 0.000 2.121 264 M HN 0.469 nan 8.290 nan 0.000 0.269 265 N N 0.173 118.891 118.700 0.030 0.000 2.467 265 N HA 0.354 5.094 4.740 -0.001 0.000 0.278 265 N C -0.855 174.622 175.510 -0.054 0.000 1.306 265 N CA -0.141 52.904 53.050 -0.008 0.000 0.905 265 N CB 0.475 38.956 38.487 -0.011 0.000 1.236 265 N HN 0.158 nan 8.380 nan 0.000 0.509 266 L N 1.695 122.853 121.223 -0.108 0.000 2.290 266 L HA 0.295 4.634 4.340 -0.001 0.000 0.284 266 L C 0.390 177.038 176.870 -0.369 0.000 1.078 266 L CA -0.627 54.018 54.840 -0.325 0.000 0.815 266 L CB 0.743 42.423 42.059 -0.632 0.000 1.162 266 L HN 0.017 nan 8.230 nan 0.000 0.435 267 V N 1.790 121.501 119.914 -0.339 0.000 2.370 267 V HA 0.309 4.429 4.120 -0.001 0.000 0.257 267 V C 0.082 175.901 176.094 -0.459 0.000 1.064 267 V CA -0.512 61.624 62.300 -0.273 0.000 0.975 267 V CB -0.848 30.886 31.823 -0.150 0.000 1.067 267 V HN 0.371 nan 8.190 nan 0.000 0.485 268 F N 5.248 125.000 119.950 -0.330 0.000 2.384 268 F HA 0.541 5.068 4.527 -0.000 0.000 0.338 268 F C -1.504 174.043 175.800 -0.422 0.000 1.103 268 F CA -2.245 55.436 58.000 -0.531 0.000 1.157 268 F CB 1.166 39.802 39.000 -0.606 0.000 1.167 268 F HN 0.368 nan 8.300 nan 0.000 0.529 269 P HA -0.006 nan 4.420 nan 0.000 0.264 269 P C -0.944 176.236 177.300 -0.199 0.000 1.183 269 P CA -0.034 62.991 63.100 -0.124 0.000 0.763 269 P CB 0.341 32.005 31.700 -0.060 0.000 0.807 270 R N 3.650 124.054 120.500 -0.161 0.000 2.893 270 R HA 0.219 4.559 4.340 -0.001 0.000 0.243 270 R C 0.576 176.798 176.300 -0.129 0.000 1.481 270 R CA 0.027 56.028 56.100 -0.166 0.000 1.250 270 R CB -0.116 30.122 30.300 -0.103 0.000 1.213 270 R HN 0.545 nan 8.270 nan 0.000 0.609 271 K N 0.095 120.404 120.400 -0.153 0.000 1.266 271 K HA 0.016 4.336 4.320 -0.001 0.000 0.084 271 K C -0.048 176.502 176.600 -0.082 0.000 2.319 271 K CA -0.179 56.057 56.287 -0.085 0.000 0.984 271 K CB 0.116 32.581 32.500 -0.057 0.000 2.557 271 K HN 0.284 nan 8.250 nan 0.000 0.330 272 L N 2.906 124.041 121.223 -0.146 0.000 2.667 272 L HA -0.109 4.230 4.340 -0.001 0.000 0.278 272 L C 0.908 177.756 176.870 -0.036 0.000 1.217 272 L CA 1.216 55.984 54.840 -0.119 0.000 0.935 272 L CB 0.251 42.147 42.059 -0.272 0.000 1.193 272 L HN 0.722 nan 8.230 nan 0.000 0.493 273 C N 1.934 121.249 119.300 0.025 0.000 4.095 273 C HA 0.401 4.860 4.460 -0.001 0.000 0.327 273 C C 0.525 175.538 174.990 0.039 0.000 1.811 273 C CA -0.801 58.253 59.018 0.060 0.000 1.785 273 C CB -0.041 27.722 27.740 0.038 0.000 3.120 273 C HN 0.820 nan 8.230 nan 0.000 0.621 274 R N 1.771 122.286 120.500 0.025 0.000 2.473 274 R HA 0.811 5.150 4.340 -0.001 0.000 0.303 274 R C -1.021 175.280 176.300 0.003 0.000 1.002 274 R CA -0.026 56.075 56.100 0.001 0.000 0.884 274 R CB 1.562 31.854 30.300 -0.013 0.000 1.173 274 R HN 0.707 nan 8.270 nan 0.000 0.464 275 L N -1.028 120.187 121.223 -0.012 0.000 2.671 275 L HA 0.991 5.330 4.340 -0.001 0.000 0.259 275 L C -1.327 175.528 176.870 -0.025 0.000 1.021 275 L CA -0.810 54.029 54.840 -0.002 0.000 0.871 275 L CB 2.561 44.631 42.059 0.018 0.000 1.472 275 L HN 0.584 nan 8.230 nan 0.000 0.410 276 G N 2.278 111.077 108.800 -0.002 0.000 2.513 276 G HA2 0.528 4.488 3.960 -0.001 0.000 0.282 276 G HA3 0.528 4.488 3.960 -0.001 0.000 0.282 276 G C -1.574 173.383 174.900 0.095 0.000 1.397 276 G CA -0.519 44.593 45.100 0.020 0.000 1.291 276 G HN 0.592 nan 8.290 nan 0.000 0.596 277 L N 2.039 123.323 121.223 0.101 0.000 2.282 277 L HA 0.459 4.798 4.340 -0.001 0.000 0.288 277 L C 0.519 177.448 176.870 0.099 0.000 1.033 277 L CA -0.705 54.235 54.840 0.167 0.000 0.807 277 L CB 1.718 43.863 42.059 0.144 0.000 1.209 277 L HN 0.409 nan 8.230 nan 0.000 0.423 278 S N 1.926 117.679 115.700 0.090 0.000 2.565 278 S HA 0.278 4.747 4.470 -0.001 0.000 0.274 278 S C -0.055 174.495 174.600 -0.083 0.000 1.309 278 S CA -0.288 57.837 58.200 -0.126 0.000 1.043 278 S CB 0.374 63.377 63.200 -0.328 0.000 0.939 278 S HN 0.640 nan 8.310 nan 0.000 0.504 279 Y N -1.994 118.378 120.300 0.120 0.000 4.916 279 Y HA -0.255 4.295 4.550 -0.000 0.000 0.247 279 Y C 0.626 176.561 175.900 0.059 0.000 0.962 279 Y CA 0.403 58.555 58.100 0.087 0.000 1.933 279 Y CB -2.435 36.075 38.460 0.083 0.000 1.451 279 Y HN 0.715 nan 8.280 nan 0.000 0.539 280 M N 1.712 121.380 119.600 0.114 0.000 2.408 280 M HA 0.285 4.765 4.480 -0.001 0.000 0.363 280 M C 1.012 177.338 176.300 0.044 0.000 1.636 280 M CA 1.358 56.688 55.300 0.049 0.000 1.029 280 M CB 0.122 32.717 32.600 -0.009 0.000 2.068 280 M HN 0.386 nan 8.290 nan 0.000 0.466 281 G N 5.092 113.922 108.800 0.051 0.000 2.568 281 G HA2 0.537 4.496 3.960 -0.001 0.000 0.293 281 G HA3 0.537 4.496 3.960 -0.001 0.000 0.293 281 G C -2.517 172.392 174.900 0.015 0.000 1.347 281 G CA -1.097 44.031 45.100 0.047 0.000 1.039 281 G HN 0.560 nan 8.290 nan 0.000 0.523 282 P HA -0.015 nan 4.420 nan 0.000 0.222 282 P C 1.372 178.681 177.300 0.016 0.000 1.153 282 P CA 0.632 63.743 63.100 0.019 0.000 0.798 282 P CB 0.266 31.989 31.700 0.038 0.000 0.796 283 N N 0.167 118.887 118.700 0.033 0.000 2.396 283 N HA -0.091 4.649 4.740 -0.001 0.000 0.180 283 N C 1.322 176.854 175.510 0.037 0.000 1.028 283 N CA 0.994 54.069 53.050 0.042 0.000 0.893 283 N CB -0.205 38.319 38.487 0.062 0.000 0.967 283 N HN 0.411 nan 8.380 nan 0.000 0.440 284 E N 0.742 120.958 120.200 0.027 0.000 2.431 284 E HA 0.017 4.367 4.350 -0.001 0.000 0.200 284 E C 1.797 178.329 176.600 -0.113 0.000 0.995 284 E CA -0.139 56.265 56.400 0.007 0.000 0.915 284 E CB -0.344 29.370 29.700 0.023 0.000 0.930 284 E HN 0.234 nan 8.360 nan 0.000 0.496 285 M N 1.926 121.436 119.600 -0.149 0.000 2.124 285 M HA -0.156 4.323 4.480 -0.001 0.000 0.253 285 M C -0.904 175.021 176.300 -0.625 0.000 1.077 285 M CA 2.275 57.406 55.300 -0.281 0.000 1.085 285 M CB -0.973 31.513 32.600 -0.189 0.000 1.320 285 M HN -0.041 nan 8.290 nan 0.000 0.404 286 P HA -0.140 nan 4.420 nan 0.000 0.223 286 P C 1.445 178.314 177.300 -0.719 0.000 1.144 286 P CA 1.200 63.578 63.100 -1.205 0.000 0.783 286 P CB -0.833 30.633 31.700 -0.390 0.000 0.771 287 I N -3.887 116.478 120.570 -0.342 0.000 3.083 287 I HA -0.107 4.062 4.170 -0.001 0.000 0.273 287 I C 1.251 177.316 176.117 -0.087 0.000 1.297 287 I CA 1.463 62.716 61.300 -0.079 0.000 1.452 287 I CB -0.940 37.123 38.000 0.105 0.000 1.078 287 I HN -0.015 nan 8.210 nan 0.000 0.484 288 L N -0.374 120.611 121.223 -0.397 0.000 2.307 288 L HA -0.005 4.335 4.340 -0.001 0.000 0.211 288 L C 2.424 178.973 176.870 -0.536 0.000 1.099 288 L CA 0.430 54.900 54.840 -0.618 0.000 0.816 288 L CB -0.531 41.209 42.059 -0.532 0.000 0.952 288 L HN 0.071 nan 8.230 nan 0.000 0.455 289 F N 0.826 120.609 119.950 -0.279 0.000 2.120 289 F HA -0.137 4.390 4.527 -0.000 0.000 0.300 289 F C 0.034 175.733 175.800 -0.167 0.000 1.095 289 F CA 0.771 58.648 58.000 -0.206 0.000 1.249 289 F CB -2.684 36.252 39.000 -0.107 0.000 0.995 289 F HN 0.116 nan 8.300 nan 0.000 0.480 290 P HA -0.214 nan 4.420 nan 0.000 0.218 290 P C 0.803 178.230 177.300 0.211 0.000 1.146 290 P CA 1.755 64.957 63.100 0.170 0.000 0.820 290 P CB -0.328 31.535 31.700 0.270 0.000 0.778 291 F N -6.168 113.808 119.950 0.044 0.000 2.901 291 F HA 0.692 5.219 4.527 -0.001 0.000 0.329 291 F C 1.440 177.241 175.800 0.003 0.000 1.185 291 F CA -0.423 57.584 58.000 0.012 0.000 1.114 291 F CB -0.820 38.174 39.000 -0.010 0.000 1.199 291 F HN -0.261 nan 8.300 nan 0.000 0.513 292 A N 1.282 123.931 122.820 -0.284 0.000 2.032 292 A HA 0.013 4.333 4.320 -0.001 0.000 0.221 292 A C 2.329 179.876 177.584 -0.060 0.000 1.165 292 A CA 1.805 53.716 52.037 -0.210 0.000 0.645 292 A CB -1.031 17.898 19.000 -0.119 0.000 0.807 292 A HN 0.669 nan 8.150 nan 0.000 0.453 293 A N -1.449 121.367 122.820 -0.006 0.000 2.178 293 A HA -0.131 4.189 4.320 -0.001 0.000 0.218 293 A C 1.985 179.594 177.584 0.042 0.000 1.157 293 A CA 1.557 53.605 52.037 0.019 0.000 0.689 293 A CB -0.324 18.693 19.000 0.028 0.000 0.787 293 A HN 0.673 nan 8.150 nan 0.000 0.465 294 Q N -0.973 118.873 119.800 0.076 0.000 2.378 294 Q HA 0.268 4.607 4.340 -0.001 0.000 0.216 294 Q C -0.230 175.823 176.000 0.089 0.000 0.892 294 Q CA -0.221 55.643 55.803 0.102 0.000 0.931 294 Q CB 0.236 29.083 28.738 0.181 0.000 1.086 294 Q HN 0.640 nan 8.270 nan 0.000 0.528 295 I N 2.038 122.649 120.570 0.069 0.000 2.505 295 I HA -0.009 4.161 4.170 -0.001 0.000 0.287 295 I C 0.954 177.084 176.117 0.021 0.000 1.104 295 I CA 0.435 61.760 61.300 0.042 0.000 1.387 295 I CB 0.639 38.627 38.000 -0.020 0.000 1.404 295 I HN 0.138 nan 8.210 nan 0.000 0.528 296 R N 4.326 124.839 120.500 0.022 0.000 2.307 296 R HA 0.208 4.548 4.340 -0.001 0.000 0.200 296 R C 0.293 176.597 176.300 0.006 0.000 0.893 296 R CA 0.010 56.119 56.100 0.015 0.000 1.042 296 R CB 0.437 30.746 30.300 0.015 0.000 1.059 296 R HN 0.417 nan 8.270 nan 0.000 0.530 297 K N 1.117 121.516 120.400 -0.001 0.000 2.507 297 K HA 0.324 4.644 4.320 -0.001 0.000 0.251 297 K C -1.914 174.675 176.600 -0.019 0.000 0.943 297 K CA -0.638 55.642 56.287 -0.012 0.000 0.794 297 K CB 1.519 34.005 32.500 -0.023 0.000 1.188 297 K HN -0.186 nan 8.250 nan 0.000 0.428 298 L N 3.178 124.390 121.223 -0.018 0.000 2.362 298 L HA 0.429 4.768 4.340 -0.001 0.000 0.275 298 L C -1.347 175.511 176.870 -0.020 0.000 0.998 298 L CA -0.254 54.570 54.840 -0.026 0.000 0.820 298 L CB 1.809 43.853 42.059 -0.025 0.000 1.270 298 L HN 0.623 nan 8.230 nan 0.000 0.415 299 D N 4.421 124.808 120.400 -0.022 0.000 2.458 299 D HA 0.266 4.905 4.640 -0.001 0.000 0.258 299 D C -0.028 176.269 176.300 -0.006 0.000 1.134 299 D CA -0.121 53.876 54.000 -0.005 0.000 0.915 299 D CB 0.454 41.263 40.800 0.015 0.000 1.028 299 D HN 0.495 nan 8.370 nan 0.000 0.508 300 L N 3.211 124.416 121.223 -0.029 0.000 2.783 300 L HA 0.121 4.460 4.340 -0.001 0.000 0.236 300 L C 1.704 178.524 176.870 -0.082 0.000 1.225 300 L CA -0.351 54.461 54.840 -0.046 0.000 1.026 300 L CB 0.208 42.235 42.059 -0.053 0.000 1.314 300 L HN 0.292 nan 8.230 nan 0.000 0.489 301 L N -0.177 120.929 121.223 -0.196 0.000 2.201 301 L HA -0.111 4.229 4.340 -0.001 0.000 0.212 301 L C 1.074 177.533 176.870 -0.685 0.000 1.105 301 L CA 1.954 56.501 54.840 -0.487 0.000 0.775 301 L CB -0.501 41.114 42.059 -0.741 0.000 0.913 301 L HN 0.348 nan 8.230 nan 0.000 0.440 302 Y N -1.249 119.010 120.300 -0.069 0.000 2.713 302 Y HA 0.535 5.085 4.550 -0.000 0.000 0.269 302 Y C 0.692 176.496 175.900 -0.159 0.000 1.106 302 Y CA -0.458 57.546 58.100 -0.160 0.000 1.174 302 Y CB -0.189 38.089 38.460 -0.302 0.000 1.186 302 Y HN 0.009 nan 8.280 nan 0.000 0.555 303 A N 0.536 123.352 122.820 -0.006 0.000 2.304 303 A HA 0.538 4.858 4.320 -0.001 0.000 0.301 303 A C -0.041 177.581 177.584 0.062 0.000 1.132 303 A CA -0.361 51.684 52.037 0.013 0.000 0.819 303 A CB 0.588 19.566 19.000 -0.035 0.000 1.094 303 A HN 0.302 nan 8.150 nan 0.000 0.492 304 L N 2.891 124.168 121.223 0.090 0.000 3.035 304 L HA 0.257 4.596 4.340 -0.001 0.000 0.232 304 L C 0.035 176.951 176.870 0.077 0.000 1.341 304 L CA 0.651 55.556 54.840 0.108 0.000 1.177 304 L CB -1.339 40.804 42.059 0.141 0.000 1.555 304 L HN 0.660 nan 8.230 nan 0.000 0.473 305 L N -2.593 118.669 121.223 0.064 0.000 2.354 305 L HA 0.696 5.036 4.340 -0.001 0.000 0.269 305 L C -0.176 176.789 176.870 0.158 0.000 1.005 305 L CA -0.710 54.165 54.840 0.059 0.000 0.819 305 L CB 2.222 44.261 42.059 -0.034 0.000 1.311 305 L HN 0.061 nan 8.230 nan 0.000 0.423 306 E N 0.436 120.724 120.200 0.146 0.000 2.292 306 E HA 0.126 4.476 4.350 -0.001 0.000 0.258 306 E C 0.442 177.166 176.600 0.207 0.000 1.115 306 E CA -0.271 56.218 56.400 0.148 0.000 0.929 306 E CB 1.601 31.352 29.700 0.084 0.000 1.161 306 E HN 0.778 nan 8.360 nan 0.000 0.453 307 T N -0.265 114.348 114.554 0.100 0.000 2.759 307 T HA -0.233 4.117 4.350 -0.001 0.000 0.269 307 T C 1.620 176.377 174.700 0.095 0.000 1.042 307 T CA 1.996 64.124 62.100 0.047 0.000 1.140 307 T CB -0.057 68.801 68.868 -0.016 0.000 0.864 307 T HN 0.518 nan 8.240 nan 0.000 0.455 308 E N 0.024 120.272 120.200 0.080 0.000 2.031 308 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 308 E C 1.908 178.559 176.600 0.084 0.000 0.994 308 E CA 1.642 58.082 56.400 0.068 0.000 0.800 308 E CB -0.123 29.607 29.700 0.050 0.000 0.752 308 E HN 0.565 nan 8.360 nan 0.000 0.447 309 D N -0.257 120.200 120.400 0.095 0.000 2.182 309 D HA -0.183 4.457 4.640 -0.001 0.000 0.201 309 D C 1.831 178.167 176.300 0.060 0.000 0.986 309 D CA 0.919 54.962 54.000 0.071 0.000 0.847 309 D CB -0.367 40.462 40.800 0.049 0.000 0.942 309 D HN 0.419 nan 8.370 nan 0.000 0.467 310 H N 0.093 119.172 119.070 0.015 0.000 2.321 310 H HA -0.088 4.468 4.556 -0.001 0.000 0.300 310 H C 2.422 177.750 175.328 -0.001 0.000 1.087 310 H CA 1.196 57.248 56.048 0.008 0.000 1.319 310 H CB -0.101 29.665 29.762 0.006 0.000 1.379 310 H HN 0.234 nan 8.280 nan 0.000 0.501 311 C N 0.011 119.390 119.300 0.131 0.000 2.413 311 C HA -0.150 4.310 4.460 -0.001 0.000 0.276 311 C C 3.149 178.124 174.990 -0.026 0.000 1.248 311 C CA 1.610 60.656 59.018 0.048 0.000 1.742 311 C CB -1.098 26.665 27.740 0.039 0.000 2.017 311 C HN 0.701 nan 8.230 nan 0.000 0.481 312 T N -0.403 114.143 114.554 -0.014 0.000 2.821 312 T HA -0.110 4.240 4.350 -0.001 0.000 0.267 312 T C 1.735 176.393 174.700 -0.071 0.000 1.046 312 T CA 1.288 63.350 62.100 -0.063 0.000 1.139 312 T CB -0.327 68.529 68.868 -0.020 0.000 0.871 312 T HN 0.553 nan 8.240 nan 0.000 0.454 313 L N 0.050 121.278 121.223 0.008 0.000 2.068 313 L HA 0.070 4.410 4.340 -0.001 0.000 0.204 313 L C 2.612 179.458 176.870 -0.041 0.000 1.076 313 L CA 1.064 55.928 54.840 0.040 0.000 0.753 313 L CB -0.350 41.721 42.059 0.021 0.000 0.910 313 L HN 0.266 nan 8.230 nan 0.000 0.439 314 I N -0.073 120.474 120.570 -0.038 0.000 2.151 314 I HA -0.362 3.808 4.170 -0.001 0.000 0.243 314 I C 2.530 178.582 176.117 -0.108 0.000 1.080 314 I CA 1.428 62.709 61.300 -0.031 0.000 1.339 314 I CB -1.357 36.658 38.000 0.025 0.000 1.039 314 I HN 0.503 nan 8.210 nan 0.000 0.409 315 Q N 1.550 121.208 119.800 -0.237 0.000 2.268 315 Q HA -0.216 4.124 4.340 -0.001 0.000 0.210 315 Q C 1.598 177.343 176.000 -0.426 0.000 0.988 315 Q CA 1.484 56.937 55.803 -0.584 0.000 0.883 315 Q CB 0.026 28.364 28.738 -0.665 0.000 0.911 315 Q HN 0.571 nan 8.270 nan 0.000 0.430 316 K N -1.308 118.943 120.400 -0.247 0.000 2.417 316 K HA 0.119 4.438 4.320 -0.001 0.000 0.196 316 K C 0.316 176.858 176.600 -0.097 0.000 1.023 316 K CA -0.129 56.046 56.287 -0.187 0.000 1.122 316 K CB 0.556 32.933 32.500 -0.206 0.000 0.850 316 K HN 0.047 nan 8.250 nan 0.000 0.521 317 C N 2.730 121.990 119.300 -0.066 0.000 3.094 317 C HA 0.214 4.673 4.460 -0.001 0.000 0.262 317 C C -1.263 173.738 174.990 0.018 0.000 1.459 317 C CA -1.348 57.656 59.018 -0.024 0.000 1.570 317 C CB 0.116 27.841 27.740 -0.026 0.000 2.056 317 C HN 0.274 nan 8.230 nan 0.000 0.499 318 P HA -0.128 nan 4.420 nan 0.000 0.221 318 P C 0.753 178.083 177.300 0.050 0.000 1.145 318 P CA 1.547 64.688 63.100 0.069 0.000 0.795 318 P CB 0.224 31.964 31.700 0.065 0.000 0.775 319 N N -0.747 117.974 118.700 0.035 0.000 2.230 319 N HA 0.064 4.803 4.740 -0.001 0.000 0.202 319 N C 0.429 175.956 175.510 0.029 0.000 1.119 319 N CA -0.359 52.710 53.050 0.031 0.000 0.851 319 N CB -0.026 38.477 38.487 0.028 0.000 0.990 319 N HN 0.121 nan 8.380 nan 0.000 0.497 320 L N 2.759 123.999 121.223 0.029 0.000 2.660 320 L HA -0.071 4.269 4.340 -0.001 0.000 0.272 320 L C 1.361 178.250 176.870 0.031 0.000 1.194 320 L CA 0.763 55.619 54.840 0.026 0.000 0.945 320 L CB 0.345 42.422 42.059 0.029 0.000 1.212 320 L HN 0.234 nan 8.230 nan 0.000 0.490 321 E N 3.377 123.592 120.200 0.026 0.000 2.447 321 E HA 0.177 4.526 4.350 -0.001 0.000 0.204 321 E C -0.355 176.263 176.600 0.030 0.000 0.977 321 E CA -0.111 56.307 56.400 0.030 0.000 0.950 321 E CB 0.412 30.127 29.700 0.026 0.000 0.975 321 E HN 0.358 nan 8.360 nan 0.000 0.496 322 V N 2.168 122.093 119.914 0.019 0.000 2.577 322 V HA 0.403 4.523 4.120 -0.001 0.000 0.303 322 V C -1.272 174.832 176.094 0.017 0.000 1.042 322 V CA -0.980 61.328 62.300 0.014 0.000 0.872 322 V CB 1.963 33.777 31.823 -0.015 0.000 0.998 322 V HN 0.209 nan 8.190 nan 0.000 0.423 323 L N 4.228 125.472 121.223 0.034 0.000 2.409 323 L HA 0.710 5.050 4.340 -0.001 0.000 0.272 323 L C -0.631 176.265 176.870 0.042 0.000 0.980 323 L CA 0.124 54.985 54.840 0.036 0.000 0.826 323 L CB 2.093 44.183 42.059 0.052 0.000 1.268 323 L HN 0.708 nan 8.230 nan 0.000 0.407 324 E N 2.845 123.059 120.200 0.024 0.000 2.199 324 E HA 0.699 5.049 4.350 -0.001 0.000 0.269 324 E C -1.127 175.479 176.600 0.011 0.000 0.899 324 E CA -0.599 55.813 56.400 0.020 0.000 0.772 324 E CB 2.194 31.892 29.700 -0.003 0.000 1.155 324 E HN 0.684 nan 8.360 nan 0.000 0.408 325 T N 1.122 115.684 114.554 0.013 0.000 2.749 325 T HA 0.321 4.671 4.350 -0.001 0.000 0.310 325 T C -1.109 173.580 174.700 -0.019 0.000 1.496 325 T CA -0.712 61.401 62.100 0.020 0.000 1.006 325 T CB 1.053 69.996 68.868 0.126 0.000 1.457 325 T HN 0.367 nan 8.240 nan 0.000 0.497 326 R N 1.054 121.535 120.500 -0.032 0.000 2.580 326 R HA 0.332 4.672 4.340 -0.001 0.000 0.267 326 R C 1.674 177.926 176.300 -0.080 0.000 1.125 326 R CA 0.010 56.068 56.100 -0.070 0.000 1.188 326 R CB 0.196 30.452 30.300 -0.074 0.000 1.155 326 R HN 0.830 nan 8.270 nan 0.000 0.586 327 N N -0.492 118.160 118.700 -0.079 0.000 2.550 327 N HA -0.087 4.652 4.740 -0.001 0.000 0.186 327 N C 1.008 176.449 175.510 -0.116 0.000 1.110 327 N CA 0.168 53.174 53.050 -0.074 0.000 0.912 327 N CB 0.019 38.484 38.487 -0.036 0.000 0.968 327 N HN 0.140 nan 8.380 nan 0.000 0.448 328 V N 1.402 121.230 119.914 -0.144 0.000 2.546 328 V HA -0.249 3.870 4.120 -0.001 0.000 0.254 328 V C 2.364 178.245 176.094 -0.354 0.000 1.076 328 V CA 1.222 63.414 62.300 -0.181 0.000 1.087 328 V CB -0.727 31.025 31.823 -0.118 0.000 0.674 328 V HN 0.374 nan 8.190 nan 0.000 0.470 329 I N 0.778 121.021 120.570 -0.544 0.000 2.229 329 I HA -0.112 4.058 4.170 -0.001 0.000 0.250 329 I C 1.327 177.307 176.117 -0.228 0.000 1.096 329 I CA 1.503 62.474 61.300 -0.548 0.000 1.358 329 I CB -0.753 37.084 38.000 -0.271 0.000 1.047 329 I HN 0.504 nan 8.210 nan 0.000 0.422 330 G N -0.226 108.487 108.800 -0.146 0.000 2.880 330 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.617 330 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.617 330 G C 0.391 175.270 174.900 -0.035 0.000 1.493 330 G CA 0.015 45.073 45.100 -0.070 0.000 0.916 330 G HN 0.336 nan 8.290 nan 0.000 0.553 331 D N -0.014 120.378 120.400 -0.014 0.000 2.123 331 D HA -0.109 4.531 4.640 -0.001 0.000 0.196 331 D C 2.405 178.709 176.300 0.007 0.000 0.992 331 D CA 1.426 55.427 54.000 0.002 0.000 0.833 331 D CB -0.022 40.782 40.800 0.007 0.000 0.954 331 D HN 0.519 nan 8.370 nan 0.000 0.455 332 R N 0.474 120.977 120.500 0.005 0.000 2.083 332 R HA -0.131 4.209 4.340 -0.001 0.000 0.237 332 R C 2.358 178.674 176.300 0.026 0.000 1.137 332 R CA 1.828 57.938 56.100 0.016 0.000 0.951 332 R CB -0.514 29.796 30.300 0.016 0.000 0.851 332 R HN 0.166 nan 8.270 nan 0.000 0.434 333 G N 0.485 109.293 108.800 0.013 0.000 2.418 333 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 333 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 333 G C 1.416 176.342 174.900 0.043 0.000 1.158 333 G CA 0.671 45.789 45.100 0.030 0.000 0.771 333 G HN 0.246 nan 8.290 nan 0.000 0.545 334 L N -0.059 121.180 121.223 0.027 0.000 2.141 334 L HA -0.036 4.304 4.340 -0.001 0.000 0.209 334 L C 2.818 179.714 176.870 0.043 0.000 1.094 334 L CA 1.064 55.926 54.840 0.037 0.000 0.763 334 L CB -0.389 41.687 42.059 0.028 0.000 0.908 334 L HN 0.293 nan 8.230 nan 0.000 0.437 335 E N -0.321 119.903 120.200 0.040 0.000 2.110 335 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 335 E C 2.256 178.899 176.600 0.073 0.000 0.988 335 E CA 1.238 57.662 56.400 0.039 0.000 0.804 335 E CB 0.028 29.747 29.700 0.032 0.000 0.745 335 E HN 0.260 nan 8.360 nan 0.000 0.458 336 V N 1.090 121.068 119.914 0.108 0.000 2.295 336 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 336 V C 2.274 178.512 176.094 0.240 0.000 1.049 336 V CA 1.346 63.768 62.300 0.203 0.000 1.024 336 V CB -0.387 31.517 31.823 0.136 0.000 0.648 336 V HN 0.247 nan 8.190 nan 0.000 0.447 337 L N 0.809 122.117 121.223 0.140 0.000 2.127 337 L HA -0.109 4.231 4.340 -0.001 0.000 0.211 337 L C 2.450 179.375 176.870 0.091 0.000 1.089 337 L CA 2.114 57.026 54.840 0.119 0.000 0.757 337 L CB -0.862 41.248 42.059 0.084 0.000 0.899 337 L HN 0.253 nan 8.230 nan 0.000 0.434 338 A N -0.826 122.029 122.820 0.059 0.000 1.940 338 A HA -0.249 4.071 4.320 -0.001 0.000 0.219 338 A C 2.157 179.723 177.584 -0.031 0.000 1.176 338 A CA 1.977 54.019 52.037 0.009 0.000 0.631 338 A CB -0.438 18.556 19.000 -0.010 0.000 0.814 338 A HN 0.742 nan 8.150 nan 0.000 0.446 339 Q N -3.485 116.277 119.800 -0.063 0.000 2.280 339 Q HA 0.128 4.467 4.340 -0.001 0.000 0.244 339 Q C 1.276 177.122 176.000 -0.256 0.000 0.847 339 Q CA 0.130 55.820 55.803 -0.189 0.000 0.945 339 Q CB -0.138 28.420 28.738 -0.300 0.000 1.115 339 Q HN 0.619 nan 8.270 nan 0.000 0.513 340 Y N 0.637 120.933 120.300 -0.007 0.000 2.397 340 Y HA 0.149 4.699 4.550 -0.000 0.000 0.292 340 Y C 0.904 176.802 175.900 -0.003 0.000 1.115 340 Y CA 0.190 58.286 58.100 -0.008 0.000 1.208 340 Y CB 0.854 39.308 38.460 -0.010 0.000 1.046 340 Y HN 0.156 nan 8.280 nan 0.000 0.552 341 C N 1.968 121.348 119.300 0.134 0.000 2.439 341 C HA 0.286 4.746 4.460 -0.001 0.000 0.298 341 C C 1.174 176.195 174.990 0.051 0.000 1.094 341 C CA -1.297 57.773 59.018 0.087 0.000 1.609 341 C CB -0.228 27.562 27.740 0.085 0.000 1.723 341 C HN 0.290 nan 8.230 nan 0.000 0.423 342 K N 0.830 121.250 120.400 0.033 0.000 2.365 342 K HA -0.016 4.304 4.320 -0.001 0.000 0.197 342 K C 1.485 178.102 176.600 0.028 0.000 1.042 342 K CA 0.871 57.168 56.287 0.018 0.000 0.987 342 K CB 0.238 32.739 32.500 0.002 0.000 0.779 342 K HN 0.657 nan 8.250 nan 0.000 0.484 343 Q N 0.425 120.246 119.800 0.034 0.000 2.360 343 Q HA 0.061 4.400 4.340 -0.001 0.000 0.202 343 Q C 0.507 176.532 176.000 0.043 0.000 0.915 343 Q CA -0.226 55.598 55.803 0.035 0.000 0.943 343 Q CB -0.427 28.330 28.738 0.032 0.000 1.064 343 Q HN 0.089 nan 8.270 nan 0.000 0.511 344 L N 2.505 123.757 121.223 0.049 0.000 2.628 344 L HA -0.118 4.222 4.340 -0.001 0.000 0.274 344 L C 0.997 177.908 176.870 0.068 0.000 1.209 344 L CA 0.871 55.746 54.840 0.058 0.000 0.930 344 L CB 0.485 42.583 42.059 0.064 0.000 1.183 344 L HN -0.072 nan 8.230 nan 0.000 0.492 345 K N 4.744 125.186 120.400 0.071 0.000 2.350 345 K HA 0.239 4.559 4.320 -0.001 0.000 0.196 345 K C -0.088 176.587 176.600 0.124 0.000 1.084 345 K CA 0.456 56.794 56.287 0.085 0.000 0.967 345 K CB 0.544 33.082 32.500 0.064 0.000 0.950 345 K HN 0.567 nan 8.250 nan 0.000 0.512 346 R N 0.876 121.445 120.500 0.115 0.000 2.538 346 R HA 0.459 4.799 4.340 -0.001 0.000 0.292 346 R C -1.360 175.042 176.300 0.171 0.000 1.008 346 R CA -0.754 55.451 56.100 0.175 0.000 0.896 346 R CB 1.791 32.115 30.300 0.041 0.000 1.187 346 R HN -0.120 nan 8.270 nan 0.000 0.440 347 L N 2.028 123.409 121.223 0.262 0.000 2.409 347 L HA 0.549 4.889 4.340 -0.001 0.000 0.272 347 L C -1.190 175.821 176.870 0.236 0.000 0.980 347 L CA -0.482 54.470 54.840 0.187 0.000 0.826 347 L CB 1.855 43.993 42.059 0.132 0.000 1.268 347 L HN 0.694 nan 8.230 nan 0.000 0.407 348 R N 6.037 126.647 120.500 0.184 0.000 2.476 348 R HA 0.631 4.970 4.340 -0.001 0.000 0.305 348 R C -1.598 174.764 176.300 0.104 0.000 0.965 348 R CA -0.641 55.570 56.100 0.185 0.000 0.867 348 R CB 1.182 31.620 30.300 0.229 0.000 1.176 348 R HN 0.685 nan 8.270 nan 0.000 0.447 349 I N 4.458 125.082 120.570 0.091 0.000 2.412 349 I HA 0.250 4.420 4.170 -0.001 0.000 0.279 349 I C 0.418 176.607 176.117 0.120 0.000 1.063 349 I CA -0.506 60.836 61.300 0.071 0.000 1.193 349 I CB 0.826 38.858 38.000 0.054 0.000 1.370 349 I HN 0.613 nan 8.210 nan 0.000 0.479 350 E N 4.759 124.988 120.200 0.049 0.000 2.416 350 E HA 0.135 4.485 4.350 -0.001 0.000 0.254 350 E C 0.349 176.838 176.600 -0.185 0.000 1.241 350 E CA -0.336 56.042 56.400 -0.037 0.000 0.969 350 E CB 1.205 30.839 29.700 -0.110 0.000 0.999 350 E HN 0.520 nan 8.360 nan 0.000 0.481 351 R N -0.702 119.489 120.500 -0.515 0.000 2.404 351 R HA 0.544 4.884 4.340 -0.001 0.000 0.291 351 R C 0.362 176.513 176.300 -0.248 0.000 1.025 351 R CA -0.404 55.442 56.100 -0.424 0.000 0.991 351 R CB 0.996 30.890 30.300 -0.678 0.000 1.053 351 R HN 0.420 nan 8.270 nan 0.000 0.479 352 G N 1.075 109.786 108.800 -0.148 0.000 2.606 352 G HA2 0.463 4.423 3.960 -0.001 0.000 0.262 352 G HA3 0.463 4.423 3.960 -0.001 0.000 0.262 352 G C -0.739 174.119 174.900 -0.070 0.000 1.394 352 G CA -0.758 44.285 45.100 -0.094 0.000 1.044 352 G HN 0.844 nan 8.290 nan 0.000 0.553 353 A N -0.088 122.710 122.820 -0.036 0.000 2.473 353 A HA 0.320 4.640 4.320 -0.001 0.000 0.282 353 A C 0.416 177.987 177.584 -0.022 0.000 1.163 353 A CA 0.031 52.055 52.037 -0.020 0.000 0.827 353 A CB -0.146 18.854 19.000 -0.001 0.000 1.098 353 A HN 0.526 nan 8.150 nan 0.000 0.515 354 D N 2.064 122.449 120.400 -0.025 0.000 2.525 354 D HA 0.088 4.728 4.640 -0.001 0.000 0.229 354 D C 0.842 177.136 176.300 -0.010 0.000 1.202 354 D CA 0.236 54.223 54.000 -0.021 0.000 0.828 354 D CB 0.548 41.329 40.800 -0.030 0.000 1.008 354 D HN 0.801 nan 8.370 nan 0.000 0.493 355 E N -0.216 119.980 120.200 -0.005 0.000 2.075 355 E HA 0.052 4.402 4.350 -0.001 0.000 0.193 355 E C 0.222 176.823 176.600 0.001 0.000 0.950 355 E CA 0.131 56.531 56.400 -0.000 0.000 0.859 355 E CB 0.323 30.024 29.700 0.002 0.000 0.846 355 E HN 0.006 nan 8.360 nan 0.000 0.467 356 Q N 1.240 121.041 119.800 0.002 0.000 2.673 356 Q HA 0.337 4.676 4.340 -0.001 0.000 0.224 356 Q C -0.044 175.958 176.000 0.003 0.000 1.226 356 Q CA -0.028 55.778 55.803 0.004 0.000 1.019 356 Q CB 0.625 29.366 28.738 0.006 0.000 1.312 356 Q HN 0.420 nan 8.270 nan 0.000 0.566 357 G N 2.646 111.447 108.800 0.002 0.000 2.880 357 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.686 357 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.686 357 G C 0.307 175.206 174.900 -0.001 0.000 1.505 357 G CA -0.798 44.303 45.100 0.001 0.000 1.057 357 G HN 0.509 nan 8.290 nan 0.000 0.599 358 M N 1.663 121.260 119.600 -0.004 0.000 3.553 358 M HA 0.065 4.545 4.480 -0.001 0.000 0.174 358 M C 1.482 177.776 176.300 -0.009 0.000 1.500 358 M CA 1.490 56.785 55.300 -0.010 0.000 1.615 358 M CB -1.860 30.733 32.600 -0.012 0.000 1.423 358 M HN 0.953 nan 8.290 nan 0.000 0.445 359 E N -0.016 120.182 120.200 -0.002 0.000 4.976 359 E HA -0.263 4.087 4.350 -0.001 0.000 0.222 359 E C -0.292 176.314 176.600 0.010 0.000 0.944 359 E CA 2.119 58.522 56.400 0.006 0.000 1.778 359 E CB -0.572 29.130 29.700 0.004 0.000 1.790 359 E HN 0.788 nan 8.360 nan 0.000 0.404 360 D N -1.457 118.945 120.400 0.004 0.000 2.738 360 D HA 0.202 4.841 4.640 -0.001 0.000 0.308 360 D C -0.341 175.961 176.300 0.002 0.000 1.311 360 D CA -0.586 53.419 54.000 0.007 0.000 0.799 360 D CB 0.170 40.978 40.800 0.014 0.000 1.332 360 D HN -0.060 nan 8.370 nan 0.000 0.441 361 E N -0.641 119.561 120.200 0.005 0.000 2.301 361 E HA 0.129 4.479 4.350 -0.001 0.000 0.195 361 E C -0.102 176.499 176.600 0.001 0.000 1.171 361 E CA 0.491 56.893 56.400 0.003 0.000 1.142 361 E CB -0.160 29.544 29.700 0.005 0.000 1.218 361 E HN 0.451 nan 8.360 nan 0.000 0.448 362 E N -2.084 118.114 120.200 -0.003 0.000 2.633 362 E HA 0.132 4.481 4.350 -0.001 0.000 0.222 362 E C 0.882 177.470 176.600 -0.021 0.000 0.899 362 E CA 0.227 56.622 56.400 -0.008 0.000 1.292 362 E CB 0.806 30.503 29.700 -0.004 0.000 1.257 362 E HN 0.167 nan 8.360 nan 0.000 0.626 363 G N 1.966 110.751 108.800 -0.025 0.000 3.325 363 G HA2 0.269 4.229 3.960 -0.001 0.000 0.242 363 G HA3 0.269 4.229 3.960 -0.001 0.000 0.242 363 G C -0.263 174.618 174.900 -0.031 0.000 1.120 363 G CA 0.270 45.345 45.100 -0.041 0.000 1.778 363 G HN -0.124 nan 8.290 nan 0.000 0.610 364 L N 0.152 121.361 121.223 -0.023 0.000 2.410 364 L HA 0.520 4.860 4.340 -0.001 0.000 0.270 364 L C 0.012 176.876 176.870 -0.010 0.000 0.983 364 L CA -1.105 53.727 54.840 -0.012 0.000 0.822 364 L CB 2.255 44.312 42.059 -0.004 0.000 1.285 364 L HN 0.013 nan 8.230 nan 0.000 0.409 365 V N 0.779 120.691 119.914 -0.003 0.000 2.630 365 V HA 1.027 5.146 4.120 -0.001 0.000 0.305 365 V C -0.114 175.988 176.094 0.014 0.000 1.046 365 V CA 0.169 62.471 62.300 0.004 0.000 0.934 365 V CB 1.774 33.600 31.823 0.006 0.000 1.003 365 V HN 0.978 nan 8.190 nan 0.000 0.451 366 S N 2.658 118.369 115.700 0.019 0.000 2.790 366 S HA 0.439 4.908 4.470 -0.001 0.000 0.292 366 S C 0.504 175.124 174.600 0.034 0.000 1.197 366 S CA -0.198 58.016 58.200 0.024 0.000 0.851 366 S CB 1.415 64.626 63.200 0.018 0.000 1.217 366 S HN 0.736 nan 8.310 nan 0.000 0.526 367 Q N 0.737 120.559 119.800 0.036 0.000 2.133 367 Q HA -0.118 4.222 4.340 -0.001 0.000 0.208 367 Q C 2.127 178.151 176.000 0.039 0.000 0.991 367 Q CA 2.290 58.120 55.803 0.044 0.000 0.867 367 Q CB -0.480 28.283 28.738 0.041 0.000 0.911 367 Q HN 0.688 nan 8.270 nan 0.000 0.417 368 R N 0.131 120.649 120.500 0.030 0.000 2.094 368 R HA -0.166 4.173 4.340 -0.001 0.000 0.239 368 R C 2.307 178.622 176.300 0.025 0.000 1.137 368 R CA 1.855 57.970 56.100 0.024 0.000 0.943 368 R CB -0.841 29.470 30.300 0.018 0.000 0.850 368 R HN 0.411 nan 8.270 nan 0.000 0.433 369 G N 0.747 109.562 108.800 0.026 0.000 2.433 369 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.216 369 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.216 369 G C 1.500 176.424 174.900 0.039 0.000 1.186 369 G CA 0.884 46.000 45.100 0.028 0.000 0.779 369 G HN 0.252 nan 8.290 nan 0.000 0.543 370 L N -0.009 121.246 121.223 0.053 0.000 2.012 370 L HA -0.085 4.254 4.340 -0.001 0.000 0.210 370 L C 2.756 179.668 176.870 0.069 0.000 1.073 370 L CA 1.200 56.087 54.840 0.078 0.000 0.748 370 L CB -0.396 41.724 42.059 0.101 0.000 0.891 370 L HN 0.260 nan 8.230 nan 0.000 0.431 371 I N -0.409 120.194 120.570 0.056 0.000 2.315 371 I HA -0.261 3.908 4.170 -0.001 0.000 0.248 371 I C 2.631 178.752 176.117 0.006 0.000 1.117 371 I CA 1.257 62.585 61.300 0.047 0.000 1.404 371 I CB -0.045 37.985 38.000 0.049 0.000 1.071 371 I HN 0.190 nan 8.210 nan 0.000 0.419 372 A N 0.627 123.448 122.820 0.001 0.000 1.883 372 A HA -0.255 4.065 4.320 -0.001 0.000 0.217 372 A C 2.216 179.782 177.584 -0.030 0.000 1.186 372 A CA 2.039 54.063 52.037 -0.022 0.000 0.624 372 A CB -1.102 17.895 19.000 -0.005 0.000 0.822 372 A HN 0.508 nan 8.150 nan 0.000 0.444 373 L N -0.179 121.047 121.223 0.006 0.000 2.012 373 L HA -0.112 4.228 4.340 -0.001 0.000 0.210 373 L C 2.743 179.618 176.870 0.009 0.000 1.073 373 L CA 2.352 57.205 54.840 0.020 0.000 0.748 373 L CB -0.884 41.208 42.059 0.054 0.000 0.891 373 L HN 0.371 nan 8.230 nan 0.000 0.431 374 A N -1.269 121.565 122.820 0.023 0.000 1.948 374 A HA -0.294 4.026 4.320 -0.001 0.000 0.220 374 A C 2.195 179.719 177.584 -0.099 0.000 1.177 374 A CA 2.126 54.187 52.037 0.040 0.000 0.636 374 A CB -0.583 18.485 19.000 0.114 0.000 0.815 374 A HN 0.707 nan 8.150 nan 0.000 0.449 375 Q N -1.313 118.330 119.800 -0.262 0.000 2.187 375 Q HA 0.004 4.343 4.340 -0.001 0.000 0.199 375 Q C 2.202 178.028 176.000 -0.290 0.000 0.957 375 Q CA 0.907 56.382 55.803 -0.547 0.000 0.857 375 Q CB -0.208 28.222 28.738 -0.514 0.000 0.929 375 Q HN 0.674 nan 8.270 nan 0.000 0.453 376 G N 0.052 108.763 108.800 -0.149 0.000 2.408 376 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.213 376 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.213 376 G C 0.570 175.444 174.900 -0.042 0.000 1.177 376 G CA 0.247 45.293 45.100 -0.089 0.000 0.802 376 G HN 0.326 nan 8.290 nan 0.000 0.533 377 C N 1.860 121.153 119.300 -0.011 0.000 2.478 377 C HA 0.404 4.864 4.460 -0.001 0.000 0.471 377 C C 1.430 176.445 174.990 0.043 0.000 1.146 377 C CA -0.739 58.293 59.018 0.024 0.000 1.532 377 C CB -0.793 26.974 27.740 0.046 0.000 1.622 377 C HN 0.498 nan 8.230 nan 0.000 0.568 378 Q N 0.128 119.950 119.800 0.037 0.000 2.482 378 Q HA -0.055 4.285 4.340 -0.001 0.000 0.209 378 Q C 1.434 177.477 176.000 0.071 0.000 0.961 378 Q CA 0.787 56.630 55.803 0.067 0.000 0.945 378 Q CB 0.309 29.093 28.738 0.076 0.000 1.012 378 Q HN 0.758 nan 8.270 nan 0.000 0.515 379 E N 0.248 120.486 120.200 0.063 0.000 2.474 379 E HA 0.080 4.430 4.350 -0.001 0.000 0.194 379 E C -0.148 176.500 176.600 0.079 0.000 1.041 379 E CA -0.259 56.180 56.400 0.064 0.000 0.874 379 E CB 0.379 30.110 29.700 0.052 0.000 0.914 379 E HN 0.294 nan 8.360 nan 0.000 0.498 380 L N 1.927 123.206 121.223 0.092 0.000 2.706 380 L HA -0.149 4.191 4.340 -0.001 0.000 0.282 380 L C 1.090 178.041 176.870 0.134 0.000 1.219 380 L CA 0.801 55.712 54.840 0.118 0.000 0.935 380 L CB 0.269 42.407 42.059 0.130 0.000 1.204 380 L HN 0.186 nan 8.230 nan 0.000 0.491 381 E N 2.609 122.902 120.200 0.155 0.000 2.372 381 E HA 0.015 4.365 4.350 -0.001 0.000 0.201 381 E C -0.794 175.951 176.600 0.242 0.000 0.938 381 E CA 0.106 56.608 56.400 0.170 0.000 0.944 381 E CB 0.699 30.485 29.700 0.142 0.000 0.937 381 E HN 0.491 nan 8.360 nan 0.000 0.495 382 Y N 1.249 121.613 120.300 0.107 0.000 2.354 382 Y HA 0.471 5.021 4.550 -0.000 0.000 0.330 382 Y C -1.387 174.576 175.900 0.104 0.000 1.011 382 Y CA -0.946 57.220 58.100 0.110 0.000 1.099 382 Y CB 1.246 39.751 38.460 0.075 0.000 1.179 382 Y HN -0.201 nan 8.280 nan 0.000 0.442 383 M N 6.344 125.828 119.600 -0.193 0.000 2.151 383 M HA 0.824 5.303 4.480 -0.001 0.000 0.290 383 M C -1.973 174.053 176.300 -0.457 0.000 0.965 383 M CA -0.520 54.696 55.300 -0.140 0.000 0.930 383 M CB 1.241 33.897 32.600 0.093 0.000 1.560 383 M HN 0.846 nan 8.290 nan 0.000 0.438 384 A N 4.707 127.320 122.820 -0.345 0.000 2.359 384 A HA 0.827 5.147 4.320 -0.001 0.000 0.303 384 A C -1.686 175.795 177.584 -0.170 0.000 1.066 384 A CA -0.564 51.261 52.037 -0.353 0.000 0.730 384 A CB 1.722 20.567 19.000 -0.259 0.000 1.211 384 A HN 0.609 nan 8.150 nan 0.000 0.439 385 V N 2.873 122.634 119.914 -0.255 0.000 2.668 385 V HA 0.319 4.439 4.120 -0.001 0.000 0.304 385 V C -1.655 174.338 176.094 -0.167 0.000 1.071 385 V CA -0.413 61.810 62.300 -0.128 0.000 0.894 385 V CB 1.807 33.555 31.823 -0.125 0.000 1.008 385 V HN 0.811 nan 8.190 nan 0.000 0.425 386 Y N 3.557 123.801 120.300 -0.094 0.000 2.367 386 Y HA 0.593 5.143 4.550 -0.000 0.000 0.342 386 Y C 0.181 176.041 175.900 -0.066 0.000 0.979 386 Y CA -0.220 57.828 58.100 -0.086 0.000 1.161 386 Y CB 1.822 40.239 38.460 -0.072 0.000 1.155 386 Y HN 0.415 nan 8.280 nan 0.000 0.503 387 V N 2.942 122.878 119.914 0.037 0.000 2.581 387 V HA 0.283 4.403 4.120 -0.001 0.000 0.303 387 V C 0.386 176.493 176.094 0.021 0.000 1.041 387 V CA -0.105 62.206 62.300 0.019 0.000 0.907 387 V CB 2.166 33.984 31.823 -0.009 0.000 0.994 387 V HN 0.888 nan 8.190 nan 0.000 0.442 388 S N 3.550 119.261 115.700 0.019 0.000 2.501 388 S HA 0.136 4.606 4.470 -0.001 0.000 0.220 388 S C -0.004 174.600 174.600 0.006 0.000 0.997 388 S CA 0.517 58.725 58.200 0.013 0.000 0.919 388 S CB -0.110 63.096 63.200 0.009 0.000 0.778 388 S HN 0.892 nan 8.310 nan 0.000 0.523 389 D N -0.135 120.270 120.400 0.007 0.000 2.812 389 D HA 0.396 5.036 4.640 -0.001 0.000 0.210 389 D C -1.473 174.836 176.300 0.016 0.000 1.260 389 D CA -0.616 53.389 54.000 0.008 0.000 0.817 389 D CB 0.777 41.583 40.800 0.010 0.000 1.694 389 D HN -0.014 nan 8.370 nan 0.000 0.530 390 I N 0.146 120.727 120.570 0.019 0.000 3.067 390 I HA 0.851 5.021 4.170 -0.001 0.000 0.312 390 I C -0.069 176.076 176.117 0.047 0.000 1.073 390 I CA -0.800 60.523 61.300 0.039 0.000 1.016 390 I CB 1.891 39.919 38.000 0.048 0.000 1.227 390 I HN 0.255 nan 8.210 nan 0.000 0.456 391 T N 0.123 114.714 114.554 0.061 0.000 2.909 391 T HA 0.347 4.697 4.350 -0.001 0.000 0.299 391 T C 0.539 175.284 174.700 0.075 0.000 1.073 391 T CA -0.553 61.583 62.100 0.060 0.000 0.999 391 T CB 1.127 70.024 68.868 0.047 0.000 1.098 391 T HN 0.649 nan 8.240 nan 0.000 0.477 392 N N 1.676 120.420 118.700 0.073 0.000 2.192 392 N HA -0.142 4.597 4.740 -0.001 0.000 0.188 392 N C 1.522 177.064 175.510 0.054 0.000 1.013 392 N CA 1.256 54.351 53.050 0.074 0.000 0.863 392 N CB 0.096 38.620 38.487 0.061 0.000 0.990 392 N HN 0.739 nan 8.380 nan 0.000 0.430 393 E N 0.754 120.982 120.200 0.048 0.000 2.106 393 E HA -0.129 4.221 4.350 -0.001 0.000 0.192 393 E C 1.872 178.502 176.600 0.050 0.000 0.984 393 E CA 1.278 57.702 56.400 0.040 0.000 0.806 393 E CB 0.173 29.896 29.700 0.038 0.000 0.750 393 E HN 0.398 nan 8.360 nan 0.000 0.458 394 S N 0.941 116.679 115.700 0.063 0.000 2.368 394 S HA -0.124 4.345 4.470 -0.001 0.000 0.224 394 S C 2.185 176.831 174.600 0.077 0.000 1.029 394 S CA 0.794 59.040 58.200 0.077 0.000 0.988 394 S CB -0.672 62.579 63.200 0.084 0.000 0.838 394 S HN 0.257 nan 8.310 nan 0.000 0.462 395 L N 1.371 122.642 121.223 0.081 0.000 2.079 395 L HA -0.143 4.197 4.340 -0.001 0.000 0.210 395 L C 2.883 179.747 176.870 -0.010 0.000 1.081 395 L CA 1.740 56.610 54.840 0.049 0.000 0.752 395 L CB -0.811 41.306 42.059 0.097 0.000 0.896 395 L HN 0.384 nan 8.230 nan 0.000 0.433 396 E N 0.193 120.393 120.200 -0.001 0.000 2.085 396 E HA -0.195 4.155 4.350 -0.001 0.000 0.194 396 E C 2.310 178.896 176.600 -0.023 0.000 0.994 396 E CA 1.750 58.130 56.400 -0.034 0.000 0.801 396 E CB -0.037 29.647 29.700 -0.027 0.000 0.743 396 E HN 0.555 nan 8.360 nan 0.000 0.453 397 S N 0.871 116.595 115.700 0.040 0.000 2.387 397 S HA -0.095 4.374 4.470 -0.001 0.000 0.226 397 S C 2.046 176.731 174.600 0.143 0.000 1.026 397 S CA 0.517 58.792 58.200 0.126 0.000 0.972 397 S CB -0.269 63.058 63.200 0.211 0.000 0.814 397 S HN 0.135 nan 8.310 nan 0.000 0.477 398 I N 2.778 123.391 120.570 0.073 0.000 2.118 398 I HA -0.168 4.002 4.170 -0.001 0.000 0.241 398 I C 2.832 178.938 176.117 -0.018 0.000 1.070 398 I CA 1.867 63.187 61.300 0.033 0.000 1.327 398 I CB -1.967 35.990 38.000 -0.072 0.000 1.034 398 I HN 0.484 nan 8.210 nan 0.000 0.405 399 G N -0.430 108.323 108.800 -0.080 0.000 2.443 399 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.219 399 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.219 399 G C 1.775 176.607 174.900 -0.113 0.000 1.131 399 G CA 1.376 46.407 45.100 -0.115 0.000 0.775 399 G HN 0.425 nan 8.290 nan 0.000 0.547 400 T N -1.688 112.788 114.554 -0.130 0.000 2.939 400 T HA 0.068 4.418 4.350 -0.001 0.000 0.254 400 T C 2.016 176.538 174.700 -0.297 0.000 1.041 400 T CA 0.807 62.751 62.100 -0.259 0.000 1.142 400 T CB -0.156 68.485 68.868 -0.378 0.000 0.874 400 T HN 0.351 nan 8.240 nan 0.000 0.452 401 Y N 1.113 121.401 120.300 -0.021 0.000 2.301 401 Y HA 0.339 4.889 4.550 -0.001 0.000 0.295 401 Y C 0.862 176.763 175.900 0.001 0.000 1.126 401 Y CA -0.060 58.035 58.100 -0.007 0.000 1.154 401 Y CB 0.194 38.654 38.460 0.001 0.000 1.075 401 Y HN 0.171 nan 8.280 nan 0.000 0.534 402 L N 0.261 121.584 121.223 0.167 0.000 2.407 402 L HA 0.475 4.815 4.340 -0.001 0.000 0.261 402 L C -0.435 176.475 176.870 0.067 0.000 1.108 402 L CA -0.868 54.040 54.840 0.114 0.000 0.995 402 L CB -0.051 42.079 42.059 0.119 0.000 1.349 402 L HN -0.243 nan 8.230 nan 0.000 0.423 403 K N 1.775 122.205 120.400 0.049 0.000 2.400 403 K HA 0.132 4.451 4.320 -0.001 0.000 0.253 403 K C 1.009 177.639 176.600 0.050 0.000 1.076 403 K CA 0.555 56.860 56.287 0.030 0.000 0.887 403 K CB 0.021 32.532 32.500 0.018 0.000 1.168 403 K HN 0.814 nan 8.250 nan 0.000 0.505 404 N N -0.457 118.270 118.700 0.045 0.000 2.666 404 N HA -0.270 4.469 4.740 -0.001 0.000 0.249 404 N C -0.959 174.602 175.510 0.085 0.000 1.063 404 N CA 0.762 53.848 53.050 0.060 0.000 0.750 404 N CB -1.728 36.791 38.487 0.055 0.000 0.992 404 N HN 0.435 nan 8.380 nan 0.000 0.542 405 L N -0.501 120.778 121.223 0.092 0.000 2.367 405 L HA 0.108 4.448 4.340 -0.001 0.000 0.275 405 L C 0.841 177.794 176.870 0.138 0.000 1.129 405 L CA -0.406 54.513 54.840 0.131 0.000 0.839 405 L CB 0.611 42.752 42.059 0.138 0.000 1.133 405 L HN 0.422 nan 8.230 nan 0.000 0.453 406 C N 1.744 121.145 119.300 0.167 0.000 2.935 406 C HA 0.238 4.698 4.460 -0.001 0.000 0.308 406 C C 0.359 175.481 174.990 0.219 0.000 1.263 406 C CA -0.163 58.958 59.018 0.172 0.000 1.738 406 C CB -0.123 27.712 27.740 0.158 0.000 2.237 406 C HN 0.744 nan 8.230 nan 0.000 0.600 407 D N 0.029 120.567 120.400 0.230 0.000 2.616 407 D HA 0.325 4.965 4.640 -0.001 0.000 0.238 407 D C -1.708 174.671 176.300 0.132 0.000 1.354 407 D CA -0.085 54.047 54.000 0.219 0.000 0.970 407 D CB 0.983 41.924 40.800 0.236 0.000 1.369 407 D HN 0.166 nan 8.370 nan 0.000 0.585 408 F N 4.072 124.078 119.950 0.093 0.000 2.518 408 F HA 0.579 5.106 4.527 -0.000 0.000 0.323 408 F C -1.013 174.789 175.800 0.004 0.000 1.129 408 F CA -0.538 57.490 58.000 0.048 0.000 0.920 408 F CB 1.109 40.226 39.000 0.195 0.000 1.160 408 F HN 0.173 nan 8.300 nan 0.000 0.440 409 R N 7.052 127.027 120.500 -0.874 0.000 2.532 409 R HA 0.632 4.972 4.340 -0.001 0.000 0.297 409 R C -2.056 173.719 176.300 -0.875 0.000 0.984 409 R CA -1.070 54.626 56.100 -0.673 0.000 0.884 409 R CB 2.363 32.457 30.300 -0.343 0.000 1.182 409 R HN 0.557 nan 8.270 nan 0.000 0.442 410 L N 3.668 124.498 121.223 -0.655 0.000 2.410 410 L HA 0.603 4.943 4.340 -0.001 0.000 0.270 410 L C -1.442 175.154 176.870 -0.455 0.000 0.983 410 L CA -0.788 53.749 54.840 -0.506 0.000 0.822 410 L CB 2.225 44.134 42.059 -0.251 0.000 1.285 410 L HN 0.447 nan 8.230 nan 0.000 0.409 411 V N 5.871 125.506 119.914 -0.466 0.000 2.577 411 V HA 0.376 4.496 4.120 -0.001 0.000 0.303 411 V C -0.382 175.581 176.094 -0.217 0.000 1.042 411 V CA -0.816 61.252 62.300 -0.386 0.000 0.872 411 V CB 2.015 33.390 31.823 -0.748 0.000 0.998 411 V HN 0.659 nan 8.190 nan 0.000 0.423 412 L N 4.907 126.065 121.223 -0.109 0.000 2.275 412 L HA 0.634 4.974 4.340 -0.001 0.000 0.288 412 L C -0.305 176.576 176.870 0.018 0.000 1.046 412 L CA -0.128 54.682 54.840 -0.050 0.000 0.805 412 L CB 0.408 42.425 42.059 -0.070 0.000 1.193 412 L HN 0.291 nan 8.230 nan 0.000 0.426 413 L N 2.834 124.085 121.223 0.045 0.000 2.483 413 L HA 0.084 4.424 4.340 -0.001 0.000 0.277 413 L C 1.095 177.976 176.870 0.020 0.000 1.248 413 L CA 0.611 55.488 54.840 0.062 0.000 0.825 413 L CB -0.151 41.941 42.059 0.054 0.000 1.096 413 L HN 0.725 nan 8.230 nan 0.000 0.512 414 D N -0.206 120.202 120.400 0.014 0.000 2.369 414 D HA 0.019 4.659 4.640 -0.001 0.000 0.211 414 D C 1.798 178.089 176.300 -0.015 0.000 1.077 414 D CA 0.050 54.039 54.000 -0.019 0.000 0.842 414 D CB 0.363 41.145 40.800 -0.030 0.000 0.947 414 D HN 0.331 nan 8.370 nan 0.000 0.509 415 R N 1.307 121.805 120.500 -0.004 0.000 2.082 415 R HA -0.085 4.254 4.340 -0.001 0.000 0.234 415 R C 0.405 176.700 176.300 -0.008 0.000 1.136 415 R CA 1.141 57.238 56.100 -0.005 0.000 0.935 415 R CB -0.214 30.085 30.300 -0.001 0.000 0.842 415 R HN -0.015 nan 8.270 nan 0.000 0.430 416 E N 1.285 121.480 120.200 -0.007 0.000 2.413 416 E HA -0.070 4.280 4.350 -0.001 0.000 0.263 416 E C 0.802 177.394 176.600 -0.013 0.000 1.015 416 E CA 0.172 56.568 56.400 -0.008 0.000 0.916 416 E CB 0.674 30.371 29.700 -0.005 0.000 0.947 416 E HN 0.335 nan 8.360 nan 0.000 0.440 417 E N 2.223 122.417 120.200 -0.011 0.000 2.042 417 E HA -0.027 4.323 4.350 -0.001 0.000 0.189 417 E C 0.219 176.811 176.600 -0.012 0.000 0.974 417 E CA 0.848 57.240 56.400 -0.013 0.000 0.806 417 E CB 0.139 29.833 29.700 -0.010 0.000 0.769 417 E HN 0.317 nan 8.360 nan 0.000 0.451 418 R N 0.811 121.307 120.500 -0.007 0.000 2.265 418 R HA 0.410 4.750 4.340 -0.001 0.000 0.319 418 R C -0.531 175.768 176.300 -0.002 0.000 1.006 418 R CA -0.469 55.629 56.100 -0.004 0.000 0.880 418 R CB 0.982 31.282 30.300 -0.000 0.000 1.077 418 R HN -0.068 nan 8.270 nan 0.000 0.454 419 I N 2.219 122.788 120.570 -0.001 0.000 2.339 419 I HA 0.116 4.286 4.170 -0.001 0.000 0.290 419 I C 1.258 177.382 176.117 0.010 0.000 0.994 419 I CA 0.131 61.433 61.300 0.003 0.000 1.191 419 I CB 1.746 39.745 38.000 -0.000 0.000 1.343 419 I HN 0.681 nan 8.210 nan 0.000 0.458 420 T N 3.706 118.268 114.554 0.014 0.000 2.152 420 T HA -0.273 4.077 4.350 -0.001 0.000 0.194 420 T C 0.259 174.971 174.700 0.021 0.000 1.715 420 T CA 2.226 64.337 62.100 0.018 0.000 1.135 420 T CB -0.432 68.448 68.868 0.021 0.000 0.856 420 T HN 0.842 nan 8.240 nan 0.000 0.393 421 D N 0.464 120.881 120.400 0.028 0.000 2.278 421 D HA 0.483 5.123 4.640 -0.001 0.000 0.245 421 D C 0.436 176.760 176.300 0.040 0.000 1.052 421 D CA -0.722 53.298 54.000 0.032 0.000 0.834 421 D CB 1.039 41.861 40.800 0.036 0.000 1.194 421 D HN 0.037 nan 8.370 nan 0.000 0.481 422 L N 2.330 123.576 121.223 0.038 0.000 2.276 422 L HA 0.355 4.695 4.340 -0.001 0.000 0.194 422 L C -1.803 175.107 176.870 0.066 0.000 1.099 422 L CA 0.149 55.015 54.840 0.043 0.000 0.800 422 L CB -1.356 40.719 42.059 0.027 0.000 0.994 422 L HN 0.442 nan 8.230 nan 0.000 0.475 423 P HA -0.040 nan 4.420 nan 0.000 0.255 423 P C 0.319 177.684 177.300 0.109 0.000 1.173 423 P CA 1.030 64.179 63.100 0.081 0.000 0.780 423 P CB 0.010 31.748 31.700 0.063 0.000 0.758 424 L N 2.313 123.629 121.223 0.154 0.000 2.700 424 L HA 0.033 4.373 4.340 -0.001 0.000 0.234 424 L C 1.175 178.159 176.870 0.190 0.000 1.156 424 L CA 0.061 55.017 54.840 0.194 0.000 0.946 424 L CB -0.195 42.049 42.059 0.308 0.000 1.216 424 L HN 0.241 nan 8.230 nan 0.000 0.493 425 D N 0.569 121.076 120.400 0.177 0.000 2.157 425 D HA -0.241 4.399 4.640 -0.001 0.000 0.191 425 D C 1.581 178.037 176.300 0.259 0.000 1.004 425 D CA 1.458 55.605 54.000 0.245 0.000 0.854 425 D CB -0.163 40.771 40.800 0.224 0.000 0.936 425 D HN 0.305 nan 8.370 nan 0.000 0.446 426 N N 0.213 119.007 118.700 0.156 0.000 2.354 426 N HA -0.029 4.710 4.740 -0.001 0.000 0.179 426 N C 1.935 177.432 175.510 -0.021 0.000 1.021 426 N CA 0.954 54.031 53.050 0.045 0.000 0.887 426 N CB -0.148 38.360 38.487 0.035 0.000 0.974 426 N HN 0.268 nan 8.380 nan 0.000 0.437 427 G N 1.220 110.042 108.800 0.036 0.000 2.404 427 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.214 427 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.214 427 G C 1.698 176.589 174.900 -0.014 0.000 1.189 427 G CA 0.603 45.718 45.100 0.025 0.000 0.789 427 G HN 0.135 nan 8.290 nan 0.000 0.533 428 V N 1.210 121.132 119.914 0.013 0.000 2.332 428 V HA -0.223 3.897 4.120 -0.001 0.000 0.248 428 V C 2.771 178.768 176.094 -0.162 0.000 1.055 428 V CA 2.204 64.445 62.300 -0.099 0.000 1.038 428 V CB -0.592 31.117 31.823 -0.189 0.000 0.651 428 V HN 0.407 nan 8.190 nan 0.000 0.450 429 R N 0.868 121.269 120.500 -0.164 0.000 2.091 429 R HA -0.179 4.161 4.340 -0.001 0.000 0.238 429 R C 2.431 178.464 176.300 -0.446 0.000 1.136 429 R CA 2.157 58.029 56.100 -0.380 0.000 0.959 429 R CB -0.308 29.605 30.300 -0.646 0.000 0.856 429 R HN 0.688 nan 8.270 nan 0.000 0.437 430 S N 1.038 116.549 115.700 -0.316 0.000 2.414 430 S HA -0.103 4.367 4.470 -0.001 0.000 0.227 430 S C 1.937 176.392 174.600 -0.242 0.000 1.022 430 S CA 0.571 58.600 58.200 -0.285 0.000 0.958 430 S CB -0.357 62.719 63.200 -0.207 0.000 0.797 430 S HN 0.283 nan 8.310 nan 0.000 0.493 431 L N 2.311 123.404 121.223 -0.216 0.000 1.989 431 L HA 0.102 4.441 4.340 -0.001 0.000 0.211 431 L C 2.025 178.748 176.870 -0.245 0.000 1.071 431 L CA 1.618 56.323 54.840 -0.224 0.000 0.749 431 L CB -1.246 40.671 42.059 -0.237 0.000 0.890 431 L HN 0.337 nan 8.230 nan 0.000 0.431 432 L N -1.102 119.955 121.223 -0.278 0.000 2.275 432 L HA -0.169 4.171 4.340 -0.001 0.000 0.215 432 L C 2.449 179.205 176.870 -0.190 0.000 1.119 432 L CA 0.916 55.599 54.840 -0.263 0.000 0.790 432 L CB -0.328 41.575 42.059 -0.260 0.000 0.919 432 L HN 0.301 nan 8.230 nan 0.000 0.443 433 I N -0.790 119.630 120.570 -0.250 0.000 2.480 433 I HA -0.062 4.108 4.170 -0.001 0.000 0.251 433 I C 2.523 178.548 176.117 -0.154 0.000 1.124 433 I CA 1.036 62.200 61.300 -0.227 0.000 1.444 433 I CB -0.482 37.293 38.000 -0.375 0.000 1.098 433 I HN 0.194 nan 8.210 nan 0.000 0.428 434 G N 0.212 108.916 108.800 -0.159 0.000 2.396 434 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.214 434 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.214 434 G C 0.766 175.614 174.900 -0.086 0.000 1.166 434 G CA 0.170 45.197 45.100 -0.121 0.000 0.793 434 G HN 0.407 nan 8.290 nan 0.000 0.533 435 C N 2.442 121.686 119.300 -0.093 0.000 2.400 435 C HA 0.339 4.799 4.460 -0.001 0.000 0.457 435 C C 1.531 176.496 174.990 -0.043 0.000 1.020 435 C CA -0.981 58.005 59.018 -0.054 0.000 1.258 435 C CB -1.107 26.597 27.740 -0.060 0.000 1.532 435 C HN 0.595 nan 8.230 nan 0.000 0.537 436 K N 0.478 120.861 120.400 -0.029 0.000 2.458 436 K HA 0.083 4.403 4.320 -0.001 0.000 0.194 436 K C 1.032 177.635 176.600 0.005 0.000 1.024 436 K CA 0.323 56.599 56.287 -0.019 0.000 1.108 436 K CB 0.134 32.623 32.500 -0.018 0.000 0.846 436 K HN 0.502 nan 8.250 nan 0.000 0.518 437 K N 0.825 121.237 120.400 0.021 0.000 2.404 437 K HA 0.111 4.431 4.320 -0.001 0.000 0.194 437 K C -0.043 176.596 176.600 0.064 0.000 1.023 437 K CA -0.310 56.002 56.287 0.042 0.000 1.094 437 K CB 0.129 32.659 32.500 0.050 0.000 0.841 437 K HN 0.043 nan 8.250 nan 0.000 0.523 438 L N 1.797 123.055 121.223 0.059 0.000 2.534 438 L HA -0.059 4.281 4.340 -0.001 0.000 0.271 438 L C 1.100 178.041 176.870 0.119 0.000 1.178 438 L CA 0.806 55.705 54.840 0.099 0.000 0.907 438 L CB 0.276 42.372 42.059 0.062 0.000 1.164 438 L HN 0.032 nan 8.230 nan 0.000 0.482 439 R N 3.322 123.925 120.500 0.170 0.000 2.287 439 R HA 0.277 4.617 4.340 -0.001 0.000 0.197 439 R C -0.109 176.359 176.300 0.279 0.000 0.900 439 R CA -0.015 56.197 56.100 0.187 0.000 1.052 439 R CB 0.565 30.964 30.300 0.164 0.000 1.117 439 R HN 0.533 nan 8.270 nan 0.000 0.568 440 R N 0.238 120.952 120.500 0.356 0.000 2.628 440 R HA 0.369 4.709 4.340 -0.001 0.000 0.288 440 R C -1.665 174.956 176.300 0.534 0.000 0.980 440 R CA -0.633 55.797 56.100 0.551 0.000 0.891 440 R CB 2.225 32.891 30.300 0.610 0.000 1.188 440 R HN -0.141 nan 8.270 nan 0.000 0.450 441 F N 1.439 121.496 119.950 0.177 0.000 2.630 441 F HA 0.630 5.157 4.527 -0.000 0.000 0.325 441 F C -1.675 174.011 175.800 -0.190 0.000 1.184 441 F CA -0.478 57.567 58.000 0.075 0.000 1.011 441 F CB 1.861 40.913 39.000 0.087 0.000 1.268 441 F HN 0.662 nan 8.300 nan 0.000 0.480 442 A N 5.455 127.895 122.820 -0.634 0.000 2.356 442 A HA 0.815 5.134 4.320 -0.001 0.000 0.310 442 A C -2.267 175.007 177.584 -0.516 0.000 1.075 442 A CA -0.483 51.203 52.037 -0.584 0.000 0.746 442 A CB 0.947 19.767 19.000 -0.299 0.000 1.221 442 A HN 0.708 nan 8.150 nan 0.000 0.443 443 F N 2.349 121.984 119.950 -0.524 0.000 2.828 443 F HA 0.465 4.991 4.527 -0.000 0.000 0.355 443 F C -1.554 174.195 175.800 -0.085 0.000 1.200 443 F CA -0.346 57.467 58.000 -0.313 0.000 1.062 443 F CB 1.312 40.129 39.000 -0.305 0.000 1.351 443 F HN 0.584 nan 8.300 nan 0.000 0.504 444 Y N 7.100 127.195 120.300 -0.341 0.000 2.363 444 Y HA 0.665 5.215 4.550 -0.000 0.000 0.325 444 Y C -1.113 174.676 175.900 -0.184 0.000 0.984 444 Y CA -0.555 57.439 58.100 -0.177 0.000 1.248 444 Y CB 0.759 39.112 38.460 -0.177 0.000 1.116 444 Y HN 0.484 nan 8.280 nan 0.000 0.470 445 L N 3.726 124.895 121.223 -0.091 0.000 2.818 445 L HA 0.654 4.993 4.340 -0.001 0.000 0.230 445 L C -0.357 176.447 176.870 -0.109 0.000 2.013 445 L CA -1.391 53.400 54.840 -0.081 0.000 2.420 445 L CB 0.896 42.908 42.059 -0.078 0.000 2.612 445 L HN 0.368 nan 8.230 nan 0.000 0.595 446 R N -0.697 119.727 120.500 -0.127 0.000 2.888 446 R HA 0.224 4.564 4.340 -0.001 0.000 0.264 446 R C 0.441 176.675 176.300 -0.109 0.000 1.045 446 R CA -0.594 55.358 56.100 -0.247 0.000 0.962 446 R CB 1.679 31.869 30.300 -0.182 0.000 1.210 446 R HN 0.381 nan 8.270 nan 0.000 0.479 447 Q N 0.980 120.711 119.800 -0.114 0.000 2.045 447 Q HA -0.098 4.242 4.340 -0.001 0.000 0.206 447 Q C 1.629 177.630 176.000 0.001 0.000 0.991 447 Q CA 2.564 58.360 55.803 -0.010 0.000 0.851 447 Q CB -0.803 27.929 28.738 -0.010 0.000 0.911 447 Q HN 0.921 nan 8.270 nan 0.000 0.418 448 G N -0.487 108.306 108.800 -0.011 0.000 2.527 448 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.219 448 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.219 448 G C 1.379 176.297 174.900 0.029 0.000 1.117 448 G CA 0.883 45.988 45.100 0.007 0.000 0.759 448 G HN 0.518 nan 8.290 nan 0.000 0.556 449 G N -0.250 108.570 108.800 0.033 0.000 2.446 449 G HA2 0.069 4.028 3.960 -0.001 0.000 0.217 449 G HA3 0.069 4.028 3.960 -0.001 0.000 0.217 449 G C 0.410 175.382 174.900 0.120 0.000 1.168 449 G CA 0.865 46.005 45.100 0.065 0.000 0.771 449 G HN 0.478 nan 8.290 nan 0.000 0.551 450 L N -0.156 121.137 121.223 0.117 0.000 2.445 450 L HA 0.564 4.904 4.340 -0.001 0.000 0.262 450 L C 0.046 176.965 176.870 0.082 0.000 0.974 450 L CA -0.489 54.432 54.840 0.134 0.000 0.822 450 L CB 2.407 44.586 42.059 0.199 0.000 1.339 450 L HN 0.173 nan 8.230 nan 0.000 0.409 451 T N -1.549 113.038 114.554 0.055 0.000 2.944 451 T HA 0.337 4.687 4.350 -0.001 0.000 0.284 451 T C 0.505 175.206 174.700 0.002 0.000 1.010 451 T CA -0.515 61.600 62.100 0.025 0.000 1.025 451 T CB 1.077 69.947 68.868 0.004 0.000 1.079 451 T HN 0.585 nan 8.240 nan 0.000 0.516 452 D N 0.157 120.560 120.400 0.004 0.000 2.239 452 D HA -0.108 4.531 4.640 -0.001 0.000 0.202 452 D C 1.785 178.031 176.300 -0.090 0.000 0.993 452 D CA 0.639 54.634 54.000 -0.009 0.000 0.874 452 D CB -0.136 40.666 40.800 0.002 0.000 0.922 452 D HN 0.423 nan 8.370 nan 0.000 0.464 453 L N 0.299 121.431 121.223 -0.152 0.000 2.072 453 L HA -0.022 4.318 4.340 -0.001 0.000 0.205 453 L C 2.151 178.647 176.870 -0.624 0.000 1.079 453 L CA 1.708 56.341 54.840 -0.345 0.000 0.752 453 L CB -0.872 41.012 42.059 -0.290 0.000 0.906 453 L HN 0.082 nan 8.230 nan 0.000 0.436 454 G N 0.099 108.694 108.800 -0.342 0.000 2.418 454 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.217 454 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.217 454 G C 1.660 176.541 174.900 -0.033 0.000 1.158 454 G CA 0.671 45.676 45.100 -0.159 0.000 0.771 454 G HN 0.371 nan 8.290 nan 0.000 0.545 455 L N 1.259 122.476 121.223 -0.011 0.000 2.079 455 L HA -0.130 4.210 4.340 -0.001 0.000 0.210 455 L C 3.214 180.167 176.870 0.137 0.000 1.081 455 L CA 1.777 56.659 54.840 0.070 0.000 0.752 455 L CB -0.193 41.896 42.059 0.049 0.000 0.896 455 L HN 0.470 nan 8.230 nan 0.000 0.433 456 S N -1.506 114.202 115.700 0.014 0.000 2.428 456 S HA -0.188 4.282 4.470 -0.001 0.000 0.230 456 S C 1.913 176.580 174.600 0.111 0.000 1.014 456 S CA 0.504 58.724 58.200 0.034 0.000 0.957 456 S CB -0.583 62.584 63.200 -0.057 0.000 0.784 456 S HN 0.532 nan 8.310 nan 0.000 0.499 457 Y N 1.199 121.551 120.300 0.087 0.000 2.181 457 Y HA -0.049 4.501 4.550 -0.001 0.000 0.288 457 Y C 2.404 178.377 175.900 0.122 0.000 1.146 457 Y CA 1.052 59.242 58.100 0.148 0.000 1.164 457 Y CB -0.272 38.277 38.460 0.148 0.000 0.982 457 Y HN 0.279 nan 8.280 nan 0.000 0.515 458 I N -0.388 120.334 120.570 0.254 0.000 2.226 458 I HA -0.264 3.906 4.170 -0.001 0.000 0.245 458 I C 2.640 178.813 176.117 0.093 0.000 1.100 458 I CA 1.497 62.883 61.300 0.144 0.000 1.374 458 I CB -0.744 37.389 38.000 0.220 0.000 1.057 458 I HN 0.234 nan 8.210 nan 0.000 0.413 459 G N -0.580 108.276 108.800 0.093 0.000 2.443 459 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.219 459 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.219 459 G C 1.584 176.354 174.900 -0.216 0.000 1.131 459 G CA 0.307 45.267 45.100 -0.235 0.000 0.775 459 G HN 0.378 nan 8.290 nan 0.000 0.547 460 Q N -1.053 118.643 119.800 -0.173 0.000 2.163 460 Q HA 0.068 4.408 4.340 -0.001 0.000 0.198 460 Q C 0.717 176.398 176.000 -0.531 0.000 0.954 460 Q CA 0.543 56.111 55.803 -0.392 0.000 0.851 460 Q CB 0.098 28.524 28.738 -0.521 0.000 0.928 460 Q HN 0.646 nan 8.270 nan 0.000 0.459 461 Y N -0.284 119.965 120.300 -0.084 0.000 2.756 461 Y HA 0.218 4.767 4.550 -0.001 0.000 0.300 461 Y C -0.075 175.731 175.900 -0.157 0.000 1.113 461 Y CA -0.452 57.575 58.100 -0.123 0.000 1.291 461 Y CB 0.935 39.305 38.460 -0.149 0.000 1.175 461 Y HN 0.008 nan 8.280 nan 0.000 0.534 462 S N -1.631 114.030 115.700 -0.064 0.000 2.399 462 S HA 0.232 4.702 4.470 -0.001 0.000 0.198 462 S C -2.190 172.372 174.600 -0.064 0.000 1.294 462 S CA -1.064 57.081 58.200 -0.091 0.000 1.237 462 S CB 0.510 63.621 63.200 -0.149 0.000 1.286 462 S HN 0.046 nan 8.310 nan 0.000 0.404 463 P HA -0.045 nan 4.420 nan 0.000 0.222 463 P C 0.398 177.692 177.300 -0.009 0.000 1.147 463 P CA 1.042 64.119 63.100 -0.038 0.000 0.790 463 P CB 0.019 31.701 31.700 -0.030 0.000 0.780 464 N N -0.781 117.922 118.700 0.005 0.000 2.236 464 N HA 0.058 4.798 4.740 -0.001 0.000 0.196 464 N C 0.079 175.628 175.510 0.066 0.000 1.114 464 N CA 0.042 53.112 53.050 0.035 0.000 0.859 464 N CB 0.511 39.021 38.487 0.038 0.000 0.982 464 N HN 0.021 nan 8.380 nan 0.000 0.493 465 V N 1.804 121.755 119.914 0.062 0.000 2.479 465 V HA 0.083 4.202 4.120 -0.001 0.000 0.281 465 V C 1.344 177.524 176.094 0.144 0.000 1.031 465 V CA 0.179 62.548 62.300 0.116 0.000 1.038 465 V CB 1.246 33.128 31.823 0.098 0.000 0.981 465 V HN 0.016 nan 8.190 nan 0.000 0.478 466 R N 3.057 123.677 120.500 0.199 0.000 2.156 466 R HA 0.136 4.476 4.340 -0.001 0.000 0.207 466 R C -0.012 176.476 176.300 0.314 0.000 1.040 466 R CA 0.322 56.553 56.100 0.219 0.000 1.013 466 R CB 0.379 30.797 30.300 0.198 0.000 0.931 466 R HN 0.750 nan 8.270 nan 0.000 0.465 467 W N 0.391 121.778 121.300 0.144 0.000 2.883 467 W HA 0.589 5.248 4.660 -0.000 0.000 0.335 467 W C -1.644 174.998 176.519 0.205 0.000 1.083 467 W CA -0.850 56.585 57.345 0.151 0.000 1.233 467 W CB 1.143 30.664 29.460 0.101 0.000 1.412 467 W HN -0.251 nan 8.180 nan 0.000 0.490 468 M N 6.853 126.100 119.600 -0.589 0.000 2.326 468 M HA 0.353 4.832 4.480 -0.001 0.000 0.292 468 M C -1.592 174.198 176.300 -0.849 0.000 1.081 468 M CA -1.167 53.722 55.300 -0.684 0.000 0.919 468 M CB 2.053 34.628 32.600 -0.042 0.000 1.634 468 M HN 0.423 nan 8.290 nan 0.000 0.451 469 L N 5.510 126.182 121.223 -0.919 0.000 2.294 469 L HA 0.640 4.979 4.340 -0.001 0.000 0.283 469 L C -1.846 174.914 176.870 -0.183 0.000 1.015 469 L CA -0.132 54.491 54.840 -0.361 0.000 0.831 469 L CB 0.810 42.747 42.059 -0.203 0.000 1.217 469 L HN 0.641 nan 8.230 nan 0.000 0.420 470 L N 5.586 126.763 121.223 -0.077 0.000 2.307 470 L HA 0.626 4.966 4.340 -0.001 0.000 0.284 470 L C 1.069 177.874 176.870 -0.108 0.000 1.023 470 L CA -0.395 54.413 54.840 -0.053 0.000 0.810 470 L CB 1.529 43.539 42.059 -0.082 0.000 1.231 470 L HN 0.782 nan 8.230 nan 0.000 0.423 471 G N 1.395 110.096 108.800 -0.166 0.000 2.832 471 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.187 471 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.187 471 G C -0.326 174.236 174.900 -0.563 0.000 1.817 471 G CA 0.247 44.971 45.100 -0.625 0.000 0.896 471 G HN 0.488 nan 8.290 nan 0.000 0.453 472 Y N 1.040 121.074 120.300 -0.443 0.000 2.696 472 Y HA 0.419 4.968 4.550 -0.001 0.000 0.378 472 Y C 0.643 176.440 175.900 -0.172 0.000 1.012 472 Y CA -1.029 56.886 58.100 -0.309 0.000 1.396 472 Y CB 0.426 38.720 38.460 -0.277 0.000 1.415 472 Y HN 0.258 nan 8.280 nan 0.000 0.569 473 V N -1.488 118.397 119.914 -0.048 0.000 3.134 473 V HA 0.993 5.113 4.120 -0.001 0.000 0.313 473 V C 0.728 176.844 176.094 0.037 0.000 1.069 473 V CA -0.307 62.022 62.300 0.047 0.000 1.048 473 V CB 0.959 32.844 31.823 0.103 0.000 1.119 473 V HN 0.665 nan 8.190 nan 0.000 0.461 474 G N 2.054 110.915 108.800 0.102 0.000 2.860 474 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.553 474 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.553 474 G C -0.160 174.781 174.900 0.069 0.000 1.439 474 G CA 0.424 45.611 45.100 0.144 0.000 0.879 474 G HN 1.087 nan 8.290 nan 0.000 0.545 475 E N -0.600 119.656 120.200 0.093 0.000 2.414 475 E HA 0.349 4.699 4.350 -0.001 0.000 0.208 475 E C 1.088 177.730 176.600 0.070 0.000 0.820 475 E CA 0.560 56.990 56.400 0.050 0.000 1.143 475 E CB 0.893 30.616 29.700 0.038 0.000 1.150 475 E HN 1.125 nan 8.360 nan 0.000 0.540 476 S N -0.189 115.598 115.700 0.145 0.000 2.656 476 S HA 0.190 4.660 4.470 -0.001 0.000 0.273 476 S C -0.361 174.393 174.600 0.256 0.000 1.168 476 S CA -0.703 57.596 58.200 0.165 0.000 0.817 476 S CB 1.350 64.602 63.200 0.087 0.000 1.146 476 S HN -0.188 nan 8.310 nan 0.000 0.475 477 D N 1.032 121.557 120.400 0.208 0.000 2.239 477 D HA -0.102 4.538 4.640 -0.001 0.000 0.202 477 D C 1.574 177.869 176.300 -0.009 0.000 0.993 477 D CA 1.292 55.354 54.000 0.103 0.000 0.874 477 D CB -0.125 40.718 40.800 0.071 0.000 0.922 477 D HN 0.549 nan 8.370 nan 0.000 0.464 478 E N 0.078 120.292 120.200 0.022 0.000 2.118 478 E HA -0.125 4.225 4.350 -0.001 0.000 0.195 478 E C 2.219 178.803 176.600 -0.027 0.000 0.992 478 E CA 1.168 57.565 56.400 -0.005 0.000 0.804 478 E CB -0.427 29.277 29.700 0.007 0.000 0.741 478 E HN 0.423 nan 8.360 nan 0.000 0.458 479 G N 1.184 109.978 108.800 -0.010 0.000 2.394 479 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.214 479 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.214 479 G C 1.626 176.448 174.900 -0.130 0.000 1.176 479 G CA 0.588 45.675 45.100 -0.022 0.000 0.786 479 G HN 0.223 nan 8.290 nan 0.000 0.533 480 L N 0.455 121.426 121.223 -0.420 0.000 2.017 480 L HA 0.055 4.395 4.340 -0.001 0.000 0.208 480 L C 2.661 179.427 176.870 -0.172 0.000 1.073 480 L CA 2.058 56.532 54.840 -0.610 0.000 0.745 480 L CB -0.347 40.990 42.059 -1.204 0.000 0.894 480 L HN 0.270 nan 8.230 nan 0.000 0.432 481 M N -1.339 118.175 119.600 -0.143 0.000 2.132 481 M HA -0.165 4.314 4.480 -0.001 0.000 0.263 481 M C 2.030 178.312 176.300 -0.031 0.000 1.065 481 M CA 1.622 56.882 55.300 -0.067 0.000 1.122 481 M CB -0.297 32.267 32.600 -0.060 0.000 1.365 481 M HN 0.292 nan 8.290 nan 0.000 0.411 482 E N 0.221 120.408 120.200 -0.021 0.000 2.051 482 E HA -0.219 4.131 4.350 -0.001 0.000 0.192 482 E C 1.762 178.366 176.600 0.007 0.000 0.991 482 E CA 1.446 57.837 56.400 -0.015 0.000 0.799 482 E CB -0.846 28.843 29.700 -0.020 0.000 0.748 482 E HN 0.617 nan 8.360 nan 0.000 0.449 483 F N 2.388 122.273 119.950 -0.107 0.000 2.087 483 F HA -0.290 4.237 4.527 -0.001 0.000 0.299 483 F C 2.533 178.281 175.800 -0.086 0.000 1.100 483 F CA 2.284 60.230 58.000 -0.091 0.000 1.226 483 F CB -0.528 38.408 39.000 -0.106 0.000 0.983 483 F HN 0.031 nan 8.300 nan 0.000 0.479 484 S N 1.065 116.747 115.700 -0.031 0.000 2.500 484 S HA -0.239 4.230 4.470 -0.001 0.000 0.239 484 S C 1.807 176.297 174.600 -0.183 0.000 0.989 484 S CA 0.923 59.044 58.200 -0.132 0.000 0.951 484 S CB -0.974 62.220 63.200 -0.011 0.000 0.759 484 S HN 0.743 nan 8.310 nan 0.000 0.523 485 R N 0.419 120.819 120.500 -0.166 0.000 2.317 485 R HA 0.414 4.754 4.340 -0.001 0.000 0.208 485 R C 1.109 177.301 176.300 -0.179 0.000 0.914 485 R CA 0.311 56.326 56.100 -0.141 0.000 1.060 485 R CB -0.269 29.971 30.300 -0.100 0.000 1.015 485 R HN 0.362 nan 8.270 nan 0.000 0.498 486 G N 0.191 108.829 108.800 -0.270 0.000 3.019 486 G HA2 0.284 4.243 3.960 -0.001 0.000 0.152 486 G HA3 0.284 4.243 3.960 -0.001 0.000 0.152 486 G C -0.489 174.232 174.900 -0.297 0.000 1.320 486 G CA -0.179 44.752 45.100 -0.281 0.000 1.013 486 G HN 0.317 nan 8.290 nan 0.000 0.593 487 C N 0.389 119.514 119.300 -0.292 0.000 3.896 487 C HA -0.089 4.371 4.460 -0.001 0.000 0.300 487 C C -0.890 174.023 174.990 -0.127 0.000 1.322 487 C CA -0.299 58.583 59.018 -0.227 0.000 2.130 487 C CB -2.124 25.411 27.740 -0.342 0.000 1.363 487 C HN 0.569 nan 8.230 nan 0.000 0.642 488 P HA -0.113 nan 4.420 nan 0.000 0.219 488 P C 0.693 177.981 177.300 -0.019 0.000 1.146 488 P CA 1.713 64.778 63.100 -0.059 0.000 0.808 488 P CB 0.026 31.695 31.700 -0.052 0.000 0.779 489 N N -1.682 117.017 118.700 -0.003 0.000 2.235 489 N HA 0.158 4.898 4.740 -0.001 0.000 0.231 489 N C -0.265 175.289 175.510 0.074 0.000 1.177 489 N CA -0.299 52.775 53.050 0.039 0.000 0.874 489 N CB 0.252 38.766 38.487 0.045 0.000 1.097 489 N HN 0.037 nan 8.380 nan 0.000 0.518 490 L N 1.618 122.880 121.223 0.065 0.000 2.418 490 L HA 0.055 4.395 4.340 -0.001 0.000 0.274 490 L C 0.790 177.758 176.870 0.164 0.000 1.135 490 L CA 0.633 55.544 54.840 0.118 0.000 0.870 490 L CB 0.860 42.974 42.059 0.092 0.000 1.154 490 L HN 0.341 nan 8.230 nan 0.000 0.462 491 Q N 3.168 123.096 119.800 0.213 0.000 2.442 491 Q HA 0.105 4.445 4.340 -0.001 0.000 0.228 491 Q C 0.042 176.235 176.000 0.321 0.000 0.902 491 Q CA 0.419 56.372 55.803 0.250 0.000 0.933 491 Q CB 0.890 29.763 28.738 0.225 0.000 1.071 491 Q HN 0.451 nan 8.270 nan 0.000 0.562 492 K N 1.095 121.696 120.400 0.335 0.000 2.463 492 K HA 0.385 4.705 4.320 -0.001 0.000 0.255 492 K C -1.952 174.881 176.600 0.389 0.000 0.942 492 K CA -0.537 55.990 56.287 0.400 0.000 0.814 492 K CB 1.421 34.113 32.500 0.320 0.000 1.122 492 K HN -0.072 nan 8.250 nan 0.000 0.425 493 L N 3.499 124.963 121.223 0.402 0.000 2.349 493 L HA 0.459 4.799 4.340 -0.001 0.000 0.278 493 L C -1.464 175.609 176.870 0.339 0.000 0.996 493 L CA 0.047 55.062 54.840 0.292 0.000 0.825 493 L CB 1.741 43.968 42.059 0.280 0.000 1.243 493 L HN 0.649 nan 8.230 nan 0.000 0.412 494 E N 6.415 126.772 120.200 0.262 0.000 2.155 494 E HA 0.568 4.918 4.350 -0.001 0.000 0.264 494 E C -1.223 175.507 176.600 0.217 0.000 0.886 494 E CA -0.350 56.290 56.400 0.399 0.000 0.752 494 E CB 1.807 31.803 29.700 0.493 0.000 1.133 494 E HN 0.599 nan 8.360 nan 0.000 0.414 495 M N 3.412 123.101 119.600 0.148 0.000 2.326 495 M HA 0.478 4.957 4.480 -0.001 0.000 0.306 495 M C -0.487 175.770 176.300 -0.071 0.000 1.054 495 M CA -0.748 54.556 55.300 0.006 0.000 0.922 495 M CB 2.363 34.952 32.600 -0.018 0.000 1.632 495 M HN 0.413 nan 8.290 nan 0.000 0.436 496 R N 0.830 121.259 120.500 -0.118 0.000 2.808 496 R HA 0.792 5.132 4.340 -0.001 0.000 0.272 496 R C 0.231 176.208 176.300 -0.539 0.000 0.995 496 R CA 0.092 56.068 56.100 -0.206 0.000 0.917 496 R CB 1.815 32.124 30.300 0.015 0.000 1.217 496 R HN 0.851 nan 8.270 nan 0.000 0.471 497 G N 0.694 109.145 108.800 -0.581 0.000 2.198 497 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.260 497 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.260 497 G C -0.285 174.070 174.900 -0.908 0.000 1.025 497 G CA 0.328 44.785 45.100 -1.071 0.000 0.769 497 G HN 0.640 nan 8.290 nan 0.000 0.507 498 C N -0.582 118.368 119.300 -0.584 0.000 2.397 498 C HA 0.541 5.001 4.460 -0.001 0.000 0.343 498 C C 2.352 176.995 174.990 -0.578 0.000 1.188 498 C CA -0.187 58.430 59.018 -0.669 0.000 1.992 498 C CB 0.867 28.106 27.740 -0.835 0.000 2.358 498 C HN 0.800 nan 8.230 nan 0.000 0.518 499 C N -0.624 118.260 119.300 -0.694 0.000 2.464 499 C HA 0.121 4.581 4.460 -0.001 0.000 0.278 499 C C 1.094 175.949 174.990 -0.225 0.000 1.375 499 C CA -0.457 58.340 59.018 -0.367 0.000 1.761 499 C CB -1.927 25.662 27.740 -0.250 0.000 1.944 499 C HN 0.770 nan 8.230 nan 0.000 0.509 500 F N 3.699 123.641 119.950 -0.013 0.000 2.628 500 F HA 0.114 4.641 4.527 -0.001 0.000 0.362 500 F C 1.312 177.144 175.800 0.053 0.000 1.106 500 F CA 0.468 58.471 58.000 0.005 0.000 1.333 500 F CB 0.066 39.054 39.000 -0.020 0.000 0.996 500 F HN 0.307 nan 8.300 nan 0.000 0.608 501 S N 0.923 116.770 115.700 0.245 0.000 2.693 501 S HA 0.234 4.704 4.470 -0.001 0.000 0.276 501 S C 0.746 175.451 174.600 0.175 0.000 1.192 501 S CA -0.847 57.460 58.200 0.179 0.000 0.994 501 S CB 1.563 64.833 63.200 0.117 0.000 1.012 501 S HN 0.722 nan 8.310 nan 0.000 0.550 502 E N 1.054 121.366 120.200 0.186 0.000 2.070 502 E HA -0.236 4.114 4.350 -0.001 0.000 0.197 502 E C 2.313 178.950 176.600 0.062 0.000 1.004 502 E CA 1.549 58.025 56.400 0.128 0.000 0.805 502 E CB -0.223 29.564 29.700 0.146 0.000 0.744 502 E HN 0.695 nan 8.360 nan 0.000 0.451 503 R N 1.135 121.670 120.500 0.058 0.000 2.148 503 R HA 0.000 4.340 4.340 -0.001 0.000 0.227 503 R C 1.950 178.261 176.300 0.018 0.000 1.103 503 R CA 1.338 57.457 56.100 0.032 0.000 0.983 503 R CB -0.357 29.959 30.300 0.027 0.000 0.874 503 R HN 0.119 nan 8.270 nan 0.000 0.451 504 A N 2.411 125.248 122.820 0.029 0.000 1.872 504 A HA 0.005 4.325 4.320 -0.001 0.000 0.214 504 A C 2.396 179.964 177.584 -0.027 0.000 1.187 504 A CA 1.114 53.150 52.037 -0.002 0.000 0.614 504 A CB -0.289 18.720 19.000 0.016 0.000 0.826 504 A HN 0.215 nan 8.150 nan 0.000 0.442 505 I N 0.277 120.848 120.570 0.002 0.000 2.091 505 I HA -0.328 3.841 4.170 -0.001 0.000 0.239 505 I C 2.955 179.065 176.117 -0.012 0.000 1.061 505 I CA 1.856 63.148 61.300 -0.013 0.000 1.317 505 I CB -1.596 36.379 38.000 -0.041 0.000 1.031 505 I HN 0.372 nan 8.210 nan 0.000 0.401 506 A N 0.644 123.460 122.820 -0.007 0.000 1.972 506 A HA -0.072 4.248 4.320 -0.001 0.000 0.219 506 A C 2.509 180.075 177.584 -0.030 0.000 1.169 506 A CA 2.006 54.039 52.037 -0.007 0.000 0.635 506 A CB -0.628 18.374 19.000 0.003 0.000 0.810 506 A HN 0.493 nan 8.150 nan 0.000 0.446 507 A N -0.488 122.315 122.820 -0.029 0.000 1.935 507 A HA 0.359 4.678 4.320 -0.001 0.000 0.214 507 A C 2.442 179.998 177.584 -0.047 0.000 1.178 507 A CA 1.456 53.469 52.037 -0.039 0.000 0.640 507 A CB -0.843 18.138 19.000 -0.032 0.000 0.825 507 A HN 0.956 nan 8.150 nan 0.000 0.447 508 A N -0.308 122.487 122.820 -0.041 0.000 1.940 508 A HA -0.037 4.282 4.320 -0.001 0.000 0.219 508 A C 2.187 179.756 177.584 -0.026 0.000 1.176 508 A CA 1.838 53.860 52.037 -0.025 0.000 0.631 508 A CB -0.890 18.105 19.000 -0.008 0.000 0.814 508 A HN 0.359 nan 8.150 nan 0.000 0.446 509 V N -0.248 119.643 119.914 -0.038 0.000 2.343 509 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 509 V C 2.740 178.736 176.094 -0.163 0.000 1.051 509 V CA 2.440 64.689 62.300 -0.086 0.000 1.036 509 V CB -1.182 30.581 31.823 -0.099 0.000 0.654 509 V HN 0.626 nan 8.190 nan 0.000 0.451 510 T N -0.564 113.903 114.554 -0.145 0.000 2.720 510 T HA -0.245 4.105 4.350 -0.001 0.000 0.268 510 T C 1.932 176.573 174.700 -0.097 0.000 1.037 510 T CA 1.613 63.631 62.100 -0.137 0.000 1.144 510 T CB -0.204 68.604 68.868 -0.100 0.000 0.864 510 T HN 0.412 nan 8.240 nan 0.000 0.444 511 K N 0.185 120.538 120.400 -0.077 0.000 2.296 511 K HA 0.155 4.475 4.320 -0.001 0.000 0.200 511 K C 0.248 176.806 176.600 -0.070 0.000 1.048 511 K CA 0.283 56.528 56.287 -0.069 0.000 0.966 511 K CB -0.096 32.364 32.500 -0.066 0.000 0.754 511 K HN 0.294 nan 8.250 nan 0.000 0.466 512 L N 2.960 124.144 121.223 -0.066 0.000 2.385 512 L HA 0.071 4.410 4.340 -0.001 0.000 0.281 512 L C -1.381 175.472 176.870 -0.028 0.000 1.106 512 L CA -1.347 53.463 54.840 -0.051 0.000 0.856 512 L CB 0.563 42.612 42.059 -0.018 0.000 1.186 512 L HN 0.045 nan 8.230 nan 0.000 0.453 513 P HA -0.158 nan 4.420 nan 0.000 0.215 513 P C 1.097 178.419 177.300 0.038 0.000 1.157 513 P CA 1.208 64.305 63.100 -0.005 0.000 0.874 513 P CB 0.394 32.086 31.700 -0.014 0.000 0.790 514 S N -1.152 114.582 115.700 0.056 0.000 2.535 514 S HA 0.119 4.588 4.470 -0.001 0.000 0.214 514 S C 0.803 175.509 174.600 0.176 0.000 0.980 514 S CA -0.502 57.760 58.200 0.104 0.000 0.907 514 S CB -0.569 62.684 63.200 0.088 0.000 0.790 514 S HN -0.004 nan 8.310 nan 0.000 0.510 515 L N 3.412 124.736 121.223 0.168 0.000 2.559 515 L HA 0.067 4.407 4.340 -0.001 0.000 0.274 515 L C 1.005 178.110 176.870 0.391 0.000 1.205 515 L CA 0.699 55.687 54.840 0.246 0.000 0.907 515 L CB 0.462 42.627 42.059 0.177 0.000 1.153 515 L HN 0.210 nan 8.230 nan 0.000 0.490 516 R N 2.951 123.749 120.500 0.497 0.000 2.531 516 R HA 0.238 4.578 4.340 -0.001 0.000 0.316 516 R C -0.770 175.921 176.300 0.653 0.000 0.955 516 R CA -0.458 56.042 56.100 0.668 0.000 1.120 516 R CB 0.066 30.723 30.300 0.595 0.000 1.361 516 R HN 0.480 nan 8.270 nan 0.000 0.534 517 Y N 0.628 121.185 120.300 0.428 0.000 2.441 517 Y HA 0.549 5.098 4.550 -0.001 0.000 0.334 517 Y C -2.103 174.002 175.900 0.341 0.000 1.061 517 Y CA -1.501 56.803 58.100 0.340 0.000 1.032 517 Y CB 2.183 40.816 38.460 0.289 0.000 1.266 517 Y HN 0.043 nan 8.280 nan 0.000 0.441 518 L N 7.252 128.629 121.223 0.256 0.000 2.438 518 L HA 0.572 4.911 4.340 -0.001 0.000 0.270 518 L C -2.149 174.855 176.870 0.224 0.000 0.972 518 L CA -0.522 54.505 54.840 0.311 0.000 0.831 518 L CB 1.553 43.776 42.059 0.273 0.000 1.273 518 L HN 0.719 nan 8.230 nan 0.000 0.405 519 W N 7.529 128.930 121.300 0.169 0.000 2.683 519 W HA 0.775 5.435 4.660 -0.000 0.000 0.329 519 W C -2.347 174.210 176.519 0.065 0.000 1.037 519 W CA -0.802 56.600 57.345 0.095 0.000 1.232 519 W CB 1.789 31.359 29.460 0.183 0.000 1.390 519 W HN 0.368 nan 8.180 nan 0.000 0.465 520 V N 5.534 124.998 119.914 -0.751 0.000 2.686 520 V HA 0.334 4.454 4.120 -0.001 0.000 0.306 520 V C -0.643 174.951 176.094 -0.834 0.000 1.065 520 V CA -0.674 61.218 62.300 -0.680 0.000 0.894 520 V CB 1.748 33.350 31.823 -0.369 0.000 1.004 520 V HN 0.623 nan 8.190 nan 0.000 0.424 521 Q N 2.197 121.627 119.800 -0.616 0.000 2.356 521 Q HA 0.645 4.984 4.340 -0.001 0.000 0.270 521 Q C 0.005 175.974 176.000 -0.052 0.000 1.058 521 Q CA 0.074 55.718 55.803 -0.265 0.000 0.802 521 Q CB 2.127 30.715 28.738 -0.249 0.000 1.303 521 Q HN 1.415 nan 8.270 nan 0.000 0.444 522 G N 3.070 111.921 108.800 0.085 0.000 3.450 522 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.668 522 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.668 522 G C -1.372 173.581 174.900 0.089 0.000 0.941 522 G CA 0.126 45.220 45.100 -0.009 0.000 0.766 522 G HN 0.895 nan 8.290 nan 0.000 0.451 523 Y N -1.345 118.892 120.300 -0.105 0.000 2.573 523 Y HA 0.686 5.235 4.550 -0.001 0.000 0.328 523 Y C -0.156 175.715 175.900 -0.048 0.000 1.170 523 Y CA -1.900 56.151 58.100 -0.082 0.000 1.078 523 Y CB 0.755 39.183 38.460 -0.053 0.000 1.341 523 Y HN 0.554 nan 8.280 nan 0.000 0.459 524 R N 2.475 122.990 120.500 0.025 0.000 2.498 524 R HA 0.466 4.806 4.340 -0.001 0.000 0.334 524 R C 0.483 176.774 176.300 -0.015 0.000 1.106 524 R CA 0.578 56.659 56.100 -0.032 0.000 0.995 524 R CB -0.025 30.289 30.300 0.024 0.000 0.989 524 R HN 0.802 nan 8.270 nan 0.000 0.455 525 A N 2.429 125.126 122.820 -0.206 0.000 2.372 525 A HA 0.502 4.821 4.320 -0.001 0.000 0.271 525 A C -0.028 177.547 177.584 -0.014 0.000 1.470 525 A CA -0.055 51.902 52.037 -0.133 0.000 0.827 525 A CB 0.507 19.318 19.000 -0.315 0.000 1.405 525 A HN 0.676 nan 8.150 nan 0.000 0.536 526 S N -3.474 112.229 115.700 0.005 0.000 2.581 526 S HA 0.242 4.711 4.470 -0.001 0.000 0.306 526 S C -0.016 174.593 174.600 0.015 0.000 1.080 526 S CA 0.192 58.397 58.200 0.009 0.000 0.925 526 S CB 0.104 63.319 63.200 0.026 0.000 1.128 526 S HN 0.997 nan 8.310 nan 0.000 0.451 527 M N 3.159 122.759 119.600 0.001 0.000 2.192 527 M HA -0.098 4.382 4.480 -0.001 0.000 0.259 527 M C 1.916 178.225 176.300 0.014 0.000 1.071 527 M CA 2.764 58.067 55.300 0.004 0.000 1.082 527 M CB -1.409 31.190 32.600 -0.002 0.000 1.373 527 M HN 0.930 nan 8.290 nan 0.000 0.408 528 T N -0.300 114.263 114.554 0.015 0.000 2.624 528 T HA -0.205 4.144 4.350 -0.001 0.000 0.266 528 T C 1.781 176.496 174.700 0.025 0.000 1.050 528 T CA 2.284 64.395 62.100 0.019 0.000 1.163 528 T CB -1.407 67.473 68.868 0.020 0.000 0.861 528 T HN 0.779 nan 8.240 nan 0.000 0.443 529 G N 0.287 109.110 108.800 0.038 0.000 2.396 529 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.242 529 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.242 529 G C 0.853 175.780 174.900 0.045 0.000 1.069 529 G CA 0.521 45.650 45.100 0.047 0.000 0.633 529 G HN 0.494 nan 8.290 nan 0.000 0.517 530 Q N 0.823 120.643 119.800 0.033 0.000 2.515 530 Q HA 0.083 4.423 4.340 -0.001 0.000 0.214 530 Q C 1.463 177.481 176.000 0.029 0.000 0.971 530 Q CA 1.529 57.348 55.803 0.027 0.000 0.952 530 Q CB -0.058 28.692 28.738 0.020 0.000 0.999 530 Q HN 0.771 nan 8.270 nan 0.000 0.524 531 D N -0.597 119.827 120.400 0.039 0.000 2.277 531 D HA 0.010 4.650 4.640 -0.001 0.000 0.209 531 D C 1.709 178.030 176.300 0.035 0.000 0.970 531 D CA 0.116 54.138 54.000 0.037 0.000 0.874 531 D CB 0.155 40.983 40.800 0.047 0.000 0.982 531 D HN 0.102 nan 8.370 nan 0.000 0.504 532 L N 0.429 121.675 121.223 0.039 0.000 2.129 532 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 532 L C 1.937 178.830 176.870 0.038 0.000 1.087 532 L CA 0.667 55.525 54.840 0.030 0.000 0.757 532 L CB -0.296 41.775 42.059 0.021 0.000 0.896 532 L HN 0.181 nan 8.230 nan 0.000 0.434 533 M N -0.196 119.425 119.600 0.034 0.000 2.530 533 M HA -0.221 4.258 4.480 -0.001 0.000 0.261 533 M C 2.037 178.354 176.300 0.029 0.000 1.067 533 M CA 1.390 56.710 55.300 0.034 0.000 1.071 533 M CB -0.894 31.721 32.600 0.025 0.000 1.405 533 M HN 0.490 nan 8.290 nan 0.000 0.478 534 Q N 0.076 119.888 119.800 0.020 0.000 2.415 534 Q HA -0.027 4.313 4.340 -0.001 0.000 0.206 534 Q C 1.214 177.209 176.000 -0.008 0.000 0.946 534 Q CA 0.392 56.199 55.803 0.006 0.000 0.951 534 Q CB -0.335 28.404 28.738 0.002 0.000 1.026 534 Q HN 0.709 nan 8.270 nan 0.000 0.510 535 M N -2.258 117.346 119.600 0.005 0.000 2.412 535 M HA 0.534 5.014 4.480 -0.001 0.000 0.315 535 M C 0.043 176.340 176.300 -0.004 0.000 1.092 535 M CA -0.481 54.797 55.300 -0.038 0.000 0.974 535 M CB 0.839 33.416 32.600 -0.037 0.000 1.437 535 M HN 0.035 nan 8.290 nan 0.000 0.524 536 A N 2.489 125.342 122.820 0.055 0.000 2.505 536 A HA 0.411 4.731 4.320 -0.001 0.000 0.271 536 A C -0.191 177.427 177.584 0.056 0.000 1.112 536 A CA 0.015 52.109 52.037 0.095 0.000 0.781 536 A CB -0.162 18.874 19.000 0.061 0.000 1.059 536 A HN 0.743 nan 8.150 nan 0.000 0.508 537 R N 2.578 123.135 120.500 0.096 0.000 2.919 537 R HA 0.629 4.969 4.340 -0.001 0.000 0.260 537 R C -2.880 173.518 176.300 0.164 0.000 1.067 537 R CA -2.005 54.152 56.100 0.095 0.000 1.003 537 R CB 0.296 30.640 30.300 0.074 0.000 1.192 537 R HN 0.377 nan 8.270 nan 0.000 0.488 538 P HA 0.089 nan 4.420 nan 0.000 0.271 538 P C -0.953 176.504 177.300 0.262 0.000 1.216 538 P CA -0.017 63.101 63.100 0.030 0.000 0.776 538 P CB 0.141 31.813 31.700 -0.047 0.000 0.881 539 Y N -2.341 118.107 120.300 0.248 0.000 4.907 539 Y HA -0.197 4.352 4.550 -0.001 0.000 0.246 539 Y C 0.016 176.173 175.900 0.429 0.000 0.968 539 Y CA 0.435 58.728 58.100 0.322 0.000 1.961 539 Y CB -1.747 36.927 38.460 0.356 0.000 1.487 539 Y HN 0.514 nan 8.280 nan 0.000 0.575 540 W N 3.016 124.409 121.300 0.155 0.000 2.318 540 W HA 0.472 5.132 4.660 -0.000 0.000 0.315 540 W C -0.770 175.639 176.519 -0.184 0.000 1.033 540 W CA -0.833 56.448 57.345 -0.106 0.000 1.275 540 W CB 0.843 30.189 29.460 -0.190 0.000 1.250 540 W HN -0.132 nan 8.180 nan 0.000 0.421 541 N N 5.658 123.942 118.700 -0.693 0.000 2.419 541 N HA 0.235 4.975 4.740 -0.001 0.000 0.264 541 N C -0.514 174.455 175.510 -0.902 0.000 1.031 541 N CA -0.226 52.386 53.050 -0.729 0.000 0.951 541 N CB 1.467 39.384 38.487 -0.950 0.000 1.101 541 N HN 0.458 nan 8.380 nan 0.000 0.488 542 I N -0.940 119.326 120.570 -0.507 0.000 2.404 542 I HA 0.507 4.676 4.170 -0.001 0.000 0.293 542 I C -0.474 175.526 176.117 -0.195 0.000 0.992 542 I CA -0.286 60.786 61.300 -0.378 0.000 1.149 542 I CB 1.356 39.230 38.000 -0.209 0.000 1.315 542 I HN 0.315 nan 8.210 nan 0.000 0.446 543 E N 6.637 126.774 120.200 -0.105 0.000 2.222 543 E HA 0.598 4.948 4.350 -0.001 0.000 0.267 543 E C -1.438 175.204 176.600 0.070 0.000 0.884 543 E CA -0.813 55.600 56.400 0.022 0.000 0.764 543 E CB 2.394 32.179 29.700 0.142 0.000 1.169 543 E HN 0.612 nan 8.360 nan 0.000 0.413 544 L N 3.782 125.053 121.223 0.080 0.000 2.322 544 L HA 0.524 4.864 4.340 -0.001 0.000 0.281 544 L C -0.441 176.511 176.870 0.136 0.000 1.014 544 L CA -0.754 54.147 54.840 0.102 0.000 0.815 544 L CB 1.233 43.338 42.059 0.076 0.000 1.247 544 L HN 0.435 nan 8.230 nan 0.000 0.421 545 I N 5.253 125.917 120.570 0.158 0.000 2.337 545 I HA 0.261 4.431 4.170 -0.001 0.000 0.285 545 I C -1.869 174.241 176.117 -0.012 0.000 1.041 545 I CA -1.798 59.571 61.300 0.115 0.000 1.199 545 I CB 0.980 39.096 38.000 0.195 0.000 1.370 545 I HN 0.348 nan 8.210 nan 0.000 0.470 546 P HA -0.023 nan 4.420 nan 0.000 0.271 546 P C 0.374 177.644 177.300 -0.049 0.000 1.238 546 P CA -0.206 62.890 63.100 -0.007 0.000 0.794 546 P CB 0.477 32.184 31.700 0.012 0.000 0.959 547 S N -0.457 115.217 115.700 -0.044 0.000 3.048 547 S HA 0.061 4.531 4.470 -0.001 0.000 0.254 547 S C 0.756 175.337 174.600 -0.032 0.000 1.084 547 S CA -0.300 57.869 58.200 -0.051 0.000 1.195 547 S CB -0.838 62.327 63.200 -0.058 0.000 0.870 547 S HN 0.280 nan 8.310 nan 0.000 0.483 565 P HA 0.152 nan 4.420 nan 0.000 0.269 565 P C -0.165 177.133 177.300 -0.004 0.000 1.209 565 P CA -0.199 62.920 63.100 0.032 0.000 0.776 565 P CB 0.306 32.026 31.700 0.033 0.000 0.876 566 A N 2.771 125.557 122.820 -0.057 0.000 2.587 566 A HA -0.022 4.298 4.320 -0.001 0.000 0.235 566 A C -0.047 177.637 177.584 0.168 0.000 1.044 566 A CA 0.586 52.621 52.037 -0.002 0.000 0.754 566 A CB -0.842 18.186 19.000 0.047 0.000 0.968 566 A HN 0.640 nan 8.150 nan 0.000 0.509 567 H N 0.195 119.306 119.070 0.068 0.000 2.499 567 H HA 0.599 5.155 4.556 -0.001 0.000 0.340 567 H C -0.660 174.609 175.328 -0.098 0.000 1.148 567 H CA -0.835 55.125 56.048 -0.147 0.000 1.215 567 H CB 1.555 31.223 29.762 -0.155 0.000 1.529 567 H HN 0.561 nan 8.280 nan 0.000 0.510 568 I N 3.050 123.529 120.570 -0.152 0.000 2.406 568 I HA 0.139 4.309 4.170 -0.001 0.000 0.290 568 I C -1.158 174.925 176.117 -0.057 0.000 0.999 568 I CA -0.675 60.544 61.300 -0.134 0.000 1.124 568 I CB 1.646 39.461 38.000 -0.308 0.000 1.289 568 I HN 0.195 nan 8.210 nan 0.000 0.441 569 L N 7.191 128.442 121.223 0.047 0.000 2.356 569 L HA 0.890 5.230 4.340 -0.001 0.000 0.277 569 L C -0.720 176.089 176.870 -0.102 0.000 0.996 569 L CA -0.122 54.762 54.840 0.074 0.000 0.822 569 L CB 1.467 43.677 42.059 0.251 0.000 1.256 569 L HN 0.687 nan 8.230 nan 0.000 0.413 570 A N 4.535 127.194 122.820 -0.268 0.000 2.486 570 A HA 0.845 5.165 4.320 -0.001 0.000 0.300 570 A C -1.919 175.135 177.584 -0.884 0.000 1.048 570 A CA -0.393 51.214 52.037 -0.715 0.000 0.696 570 A CB 1.208 19.747 19.000 -0.770 0.000 1.278 570 A HN 0.860 nan 8.150 nan 0.000 0.405 571 Y N -1.367 118.252 120.300 -1.136 0.000 2.592 571 Y HA 0.674 5.223 4.550 -0.000 0.000 0.334 571 Y C -1.213 174.458 175.900 -0.382 0.000 1.136 571 Y CA -1.505 56.227 58.100 -0.612 0.000 1.042 571 Y CB 0.576 38.915 38.460 -0.202 0.000 1.325 571 Y HN 0.592 nan 8.280 nan 0.000 0.457 572 Y N 1.674 122.163 120.300 0.315 0.000 2.336 572 Y HA 0.463 5.012 4.550 -0.001 0.000 0.331 572 Y C 0.692 176.826 175.900 0.390 0.000 1.211 572 Y CA 0.678 59.017 58.100 0.398 0.000 1.346 572 Y CB 1.468 40.190 38.460 0.436 0.000 1.271 572 Y HN 0.741 nan 8.280 nan 0.000 0.538 573 S N 3.175 119.205 115.700 0.551 0.000 2.543 573 S HA 0.301 4.770 4.470 -0.001 0.000 0.271 573 S C -0.298 174.548 174.600 0.409 0.000 1.148 573 S CA -0.791 57.682 58.200 0.455 0.000 0.914 573 S CB 0.661 64.147 63.200 0.477 0.000 1.096 573 S HN 0.748 nan 8.310 nan 0.000 0.471 574 L N 3.283 124.679 121.223 0.288 0.000 2.610 574 L HA 0.232 4.572 4.340 -0.001 0.000 0.232 574 L C 2.139 179.179 176.870 0.283 0.000 1.149 574 L CA 0.943 55.925 54.840 0.236 0.000 0.872 574 L CB -0.352 41.770 42.059 0.104 0.000 0.992 574 L HN 0.807 nan 8.230 nan 0.000 0.447 575 A N -0.656 122.330 122.820 0.277 0.000 2.140 575 A HA 0.536 4.856 4.320 -0.001 0.000 0.209 575 A C 1.206 178.895 177.584 0.174 0.000 1.181 575 A CA 0.564 52.728 52.037 0.212 0.000 0.824 575 A CB 0.160 19.291 19.000 0.219 0.000 0.879 575 A HN 0.387 nan 8.150 nan 0.000 0.480 576 G N -0.777 108.135 108.800 0.186 0.000 2.685 576 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.387 576 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.387 576 G C -0.585 174.365 174.900 0.083 0.000 1.324 576 G CA -0.394 44.770 45.100 0.106 0.000 0.878 576 G HN 0.528 nan 8.290 nan 0.000 0.527 577 Q N 0.367 120.180 119.800 0.022 0.000 2.337 577 Q HA 0.380 4.719 4.340 -0.001 0.000 0.270 577 Q C 0.944 176.936 176.000 -0.013 0.000 1.002 577 Q CA 0.096 55.891 55.803 -0.014 0.000 0.888 577 Q CB 0.411 29.122 28.738 -0.046 0.000 1.222 577 Q HN 0.535 nan 8.270 nan 0.000 0.400 578 R N 1.375 121.836 120.500 -0.065 0.000 2.585 578 R HA -0.032 4.308 4.340 -0.001 0.000 0.275 578 R C 0.943 177.180 176.300 -0.105 0.000 1.018 578 R CA 0.144 56.163 56.100 -0.135 0.000 1.072 578 R CB 0.030 30.047 30.300 -0.473 0.000 0.953 578 R HN 0.576 nan 8.270 nan 0.000 0.419 579 T N 1.041 115.562 114.554 -0.055 0.000 2.995 579 T HA -0.091 4.259 4.350 -0.001 0.000 0.269 579 T C 0.560 175.219 174.700 -0.068 0.000 1.091 579 T CA 1.496 63.567 62.100 -0.049 0.000 1.128 579 T CB -0.153 68.701 68.868 -0.024 0.000 0.891 579 T HN 0.737 nan 8.240 nan 0.000 0.492 580 D N -0.263 120.084 120.400 -0.087 0.000 2.559 580 D HA 0.142 4.782 4.640 -0.001 0.000 0.234 580 D C -0.166 176.085 176.300 -0.081 0.000 1.226 580 D CA -0.485 53.481 54.000 -0.057 0.000 0.830 580 D CB -1.341 39.481 40.800 0.037 0.000 1.028 580 D HN 0.171 nan 8.370 nan 0.000 0.492 581 C N 1.840 121.054 119.300 -0.143 0.000 2.662 581 C HA 0.325 4.785 4.460 -0.001 0.000 0.420 581 C C -1.478 173.477 174.990 -0.060 0.000 1.314 581 C CA -0.782 58.143 59.018 -0.155 0.000 1.963 581 C CB 0.014 27.670 27.740 -0.139 0.000 2.686 581 C HN 0.367 nan 8.230 nan 0.000 0.609 582 P HA 0.186 nan 4.420 nan 0.000 0.275 582 P C 0.812 178.125 177.300 0.021 0.000 1.270 582 P CA -0.060 63.057 63.100 0.027 0.000 0.791 582 P CB 0.287 32.028 31.700 0.068 0.000 1.089 583 T N -0.887 113.688 114.554 0.034 0.000 2.904 583 T HA -0.078 4.271 4.350 -0.001 0.000 0.267 583 T C 1.357 176.082 174.700 0.042 0.000 1.059 583 T CA 1.846 63.964 62.100 0.030 0.000 1.137 583 T CB -0.964 67.921 68.868 0.028 0.000 0.879 583 T HN 0.623 nan 8.240 nan 0.000 0.467 584 T N 0.070 114.663 114.554 0.064 0.000 3.155 584 T HA 0.117 4.467 4.350 -0.001 0.000 0.264 584 T C 0.452 175.212 174.700 0.100 0.000 1.160 584 T CA 0.082 62.232 62.100 0.082 0.000 1.075 584 T CB -0.292 68.643 68.868 0.112 0.000 0.921 584 T HN 0.084 nan 8.240 nan 0.000 0.533 585 V N 1.199 121.164 119.914 0.085 0.000 2.483 585 V HA 0.473 4.592 4.120 -0.001 0.000 0.297 585 V C -0.197 175.926 176.094 0.048 0.000 1.027 585 V CA -1.170 61.188 62.300 0.098 0.000 0.855 585 V CB 1.963 33.850 31.823 0.107 0.000 0.995 585 V HN 0.239 nan 8.190 nan 0.000 0.424 586 R N 3.227 123.758 120.500 0.051 0.000 2.338 586 R HA 0.684 5.023 4.340 -0.001 0.000 0.317 586 R C -1.153 175.155 176.300 0.013 0.000 0.968 586 R CA -0.480 55.635 56.100 0.025 0.000 0.849 586 R CB 1.840 32.156 30.300 0.026 0.000 1.128 586 R HN 0.560 nan 8.270 nan 0.000 0.448 587 V N 6.165 126.072 119.914 -0.010 0.000 2.432 587 V HA 0.190 4.310 4.120 -0.001 0.000 0.271 587 V C 0.500 176.578 176.094 -0.026 0.000 1.046 587 V CA -0.505 61.777 62.300 -0.030 0.000 0.945 587 V CB 1.256 33.049 31.823 -0.049 0.000 0.992 587 V HN 0.665 nan 8.190 nan 0.000 0.471 588 L N 6.591 127.795 121.223 -0.032 0.000 2.278 588 L HA 0.411 4.751 4.340 -0.001 0.000 0.287 588 L C 0.239 177.093 176.870 -0.026 0.000 1.072 588 L CA 0.094 54.922 54.840 -0.021 0.000 0.819 588 L CB 0.483 42.533 42.059 -0.016 0.000 1.176 588 L HN 0.701 nan 8.230 nan 0.000 0.435 589 K N 3.039 123.430 120.400 -0.016 0.000 2.352 589 K HA 0.402 4.722 4.320 -0.001 0.000 0.240 589 K C -0.599 175.998 176.600 -0.005 0.000 1.017 589 K CA -1.095 55.184 56.287 -0.014 0.000 0.851 589 K CB 1.617 34.106 32.500 -0.018 0.000 1.261 589 K HN 0.404 nan 8.250 nan 0.000 0.451 590 E N 1.698 121.896 120.200 -0.003 0.000 2.461 590 E HA 0.007 4.357 4.350 -0.001 0.000 0.263 590 E C -2.225 174.375 176.600 0.000 0.000 1.143 590 E CA -0.984 55.416 56.400 0.001 0.000 0.994 590 E CB -0.324 29.375 29.700 -0.001 0.000 0.973 590 E HN 0.303 nan 8.360 nan 0.000 0.457 591 P HA -0.192 nan 4.420 nan 0.000 0.259 591 P C -0.294 177.006 177.300 0.001 0.000 1.111 591 P CA 0.645 63.747 63.100 0.002 0.000 0.758 591 P CB -0.055 31.646 31.700 0.002 0.000 0.693 592 I N 0.000 120.571 120.570 0.002 0.000 2.984 592 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 592 I CA 0.000 61.300 61.300 0.001 0.000 1.566 592 I CB 0.000 38.002 38.000 0.003 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494