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_P 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 63.203 63.200 0.006 0.000 0.593 13 C N 3.095 122.400 119.300 0.009 0.000 2.668 13 C HA 0.836 5.296 4.460 -0.000 0.000 0.355 13 C C 0.392 175.388 174.990 0.011 0.000 1.277 13 C CA -0.341 58.683 59.018 0.010 0.000 1.787 13 C CB 1.204 28.951 27.740 0.012 0.000 2.233 13 C HN 1.085 nan 8.230 nan 0.000 0.495 14 V N 3.407 123.328 119.914 0.012 0.000 2.583 14 V HA 0.225 4.344 4.120 -0.000 0.000 0.302 14 V C 1.014 177.117 176.094 0.016 0.000 1.033 14 V CA 0.673 62.981 62.300 0.013 0.000 1.194 14 V CB -1.026 30.805 31.823 0.013 0.000 0.879 14 V HN 1.044 nan 8.190 nan 0.000 0.482 15 A N 5.099 127.928 122.820 0.015 0.000 2.454 15 A HA 0.539 4.859 4.320 -0.000 0.000 0.260 15 A C 0.734 178.334 177.584 0.026 0.000 1.106 15 A CA -0.231 51.817 52.037 0.018 0.000 0.780 15 A CB -0.094 18.913 19.000 0.012 0.000 1.044 15 A HN 0.917 nan 8.150 nan 0.000 0.498 16 T N 1.579 116.154 114.554 0.035 0.000 2.862 16 T HA 0.345 4.695 4.350 -0.000 0.000 0.276 16 T C 1.695 176.434 174.700 0.065 0.000 0.974 16 T CA -0.259 61.872 62.100 0.051 0.000 0.966 16 T CB 1.127 70.032 68.868 0.061 0.000 1.072 16 T HN 0.430 nan 8.240 nan 0.000 0.538 17 V N 0.157 120.131 119.914 0.099 0.000 2.469 17 V HA -0.158 3.962 4.120 -0.000 0.000 0.251 17 V C 2.182 178.351 176.094 0.125 0.000 1.064 17 V CA 1.964 64.344 62.300 0.132 0.000 1.066 17 V CB -0.962 31.012 31.823 0.253 0.000 0.667 17 V HN 0.919 nan 8.190 nan 0.000 0.461 18 D N 0.285 120.774 120.400 0.148 0.000 2.265 18 D HA -0.176 4.464 4.640 -0.000 0.000 0.208 18 D C 1.603 177.937 176.300 0.057 0.000 0.977 18 D CA 1.008 55.087 54.000 0.132 0.000 0.871 18 D CB -0.109 40.772 40.800 0.135 0.000 0.925 18 D HN 0.429 nan 8.370 nan 0.000 0.485 19 D N -0.631 119.793 120.400 0.041 0.000 2.349 19 D HA -0.014 4.626 4.640 -0.000 0.000 0.224 19 D C 0.931 177.229 176.300 -0.004 0.000 1.029 19 D CA 0.214 54.225 54.000 0.018 0.000 0.879 19 D CB 1.287 42.098 40.800 0.018 0.000 0.906 19 D HN 0.146 nan 8.370 nan 0.000 0.528 20 V N 0.144 120.047 119.914 -0.019 0.000 3.443 20 V HA 0.007 4.127 4.120 -0.000 0.000 0.277 20 V C 1.224 177.259 176.094 -0.098 0.000 1.648 20 V CA -0.080 62.192 62.300 -0.048 0.000 1.058 20 V CB 0.828 32.629 31.823 -0.038 0.000 0.877 20 V HN -0.072 nan 8.190 nan 0.000 0.417 21 I N 0.892 121.380 120.570 -0.138 0.000 2.439 21 I HA -0.049 4.121 4.170 -0.000 0.000 0.251 21 I C 2.010 177.958 176.117 -0.282 0.000 1.139 21 I CA 1.918 63.032 61.300 -0.310 0.000 1.438 21 I CB -0.148 37.518 38.000 -0.558 0.000 1.085 21 I HN 0.371 nan 8.210 nan 0.000 0.427 22 E N -0.179 119.918 120.200 -0.172 0.000 2.130 22 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 22 E C 2.070 178.627 176.600 -0.071 0.000 0.998 22 E CA 1.206 57.539 56.400 -0.112 0.000 0.806 22 E CB -0.093 29.571 29.700 -0.059 0.000 0.738 22 E HN 0.583 nan 8.360 nan 0.000 0.459 23 Q N 0.047 119.811 119.800 -0.059 0.000 2.033 23 Q HA -0.087 4.253 4.340 -0.000 0.000 0.196 23 Q C 2.459 178.473 176.000 0.023 0.000 0.970 23 Q CA 0.892 56.691 55.803 -0.006 0.000 0.828 23 Q CB -0.058 28.662 28.738 -0.031 0.000 0.895 23 Q HN 0.205 nan 8.270 nan 0.000 0.440 24 V N 1.346 121.208 119.914 -0.087 0.000 2.407 24 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 24 V C 2.397 178.499 176.094 0.013 0.000 1.055 24 V CA 1.727 63.960 62.300 -0.111 0.000 1.049 24 V CB -0.528 31.193 31.823 -0.171 0.000 0.662 24 V HN 0.333 nan 8.190 nan 0.000 0.455 25 M N 1.444 120.996 119.600 -0.079 0.000 2.144 25 M HA -0.179 4.301 4.480 -0.000 0.000 0.260 25 M C 2.142 178.452 176.300 0.016 0.000 1.067 25 M CA 2.499 57.747 55.300 -0.087 0.000 1.095 25 M CB -0.834 31.671 32.600 -0.158 0.000 1.365 25 M HN 0.546 nan 8.290 nan 0.000 0.406 26 T N -2.584 112.012 114.554 0.070 0.000 3.163 26 T HA -0.066 4.284 4.350 -0.000 0.000 0.260 26 T C 0.788 175.465 174.700 -0.039 0.000 1.156 26 T CA 0.655 62.765 62.100 0.016 0.000 1.072 26 T CB -0.682 68.173 68.868 -0.023 0.000 0.937 26 T HN 0.476 nan 8.240 nan 0.000 0.528 27 Y N 0.457 120.728 120.300 -0.049 0.000 2.467 27 Y HA 0.508 5.058 4.550 -0.000 0.000 0.250 27 Y C 0.725 176.609 175.900 -0.026 0.000 1.155 27 Y CA -1.682 56.397 58.100 -0.034 0.000 1.249 27 Y CB 0.182 38.623 38.460 -0.031 0.000 1.146 27 Y HN 0.274 nan 8.280 nan 0.000 0.524 28 I N 0.215 120.848 120.570 0.105 0.000 2.337 28 I HA 0.078 4.248 4.170 -0.000 0.000 0.291 28 I C 1.200 177.330 176.117 0.022 0.000 1.046 28 I CA 0.211 61.547 61.300 0.061 0.000 1.324 28 I CB 1.448 39.480 38.000 0.053 0.000 1.409 28 I HN -0.009 nan 8.210 nan 0.000 0.494 29 T N 2.520 117.082 114.554 0.013 0.000 3.026 29 T HA 0.000 4.350 4.350 -0.000 0.000 0.245 29 T C 0.630 175.324 174.700 -0.010 0.000 1.004 29 T CA 0.008 62.099 62.100 -0.015 0.000 1.069 29 T CB 0.065 68.916 68.868 -0.029 0.000 1.005 29 T HN 0.582 nan 8.240 nan 0.000 0.472 30 D N 2.209 122.614 120.400 0.008 0.000 2.434 30 D HA 0.125 4.765 4.640 -0.000 0.000 0.252 30 D C -1.654 174.659 176.300 0.021 0.000 1.185 30 D CA -1.907 52.100 54.000 0.012 0.000 0.886 30 D CB 1.632 42.447 40.800 0.025 0.000 1.148 30 D HN 0.123 nan 8.370 nan 0.000 0.483 31 P HA -0.159 nan 4.420 nan 0.000 0.218 31 P C 0.952 178.283 177.300 0.050 0.000 1.146 31 P CA 1.164 64.280 63.100 0.026 0.000 0.813 31 P CB 0.299 32.014 31.700 0.024 0.000 0.778 32 K N -0.759 119.671 120.400 0.051 0.000 2.296 32 K HA -0.041 4.279 4.320 -0.000 0.000 0.200 32 K C 1.407 178.051 176.600 0.073 0.000 1.048 32 K CA 1.033 57.359 56.287 0.064 0.000 0.966 32 K CB -0.574 31.960 32.500 0.058 0.000 0.754 32 K HN 0.028 nan 8.250 nan 0.000 0.466 33 D N -0.528 119.914 120.400 0.071 0.000 2.240 33 D HA -0.016 4.624 4.640 -0.000 0.000 0.206 33 D C 1.711 178.075 176.300 0.107 0.000 0.963 33 D CA 0.332 54.383 54.000 0.086 0.000 0.863 33 D CB 0.236 41.082 40.800 0.077 0.000 0.973 33 D HN -0.031 nan 8.370 nan 0.000 0.501 34 R N 1.060 121.614 120.500 0.090 0.000 2.073 34 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 34 R C 1.740 178.124 176.300 0.141 0.000 1.134 34 R CA 0.953 57.115 56.100 0.103 0.000 0.952 34 R CB -0.912 29.428 30.300 0.067 0.000 0.850 34 R HN 0.247 nan 8.270 nan 0.000 0.433 35 D N 0.076 120.554 120.400 0.129 0.000 2.127 35 D HA -0.151 4.489 4.640 -0.000 0.000 0.190 35 D C 1.802 178.189 176.300 0.146 0.000 1.000 35 D CA 2.369 56.455 54.000 0.142 0.000 0.839 35 D CB 0.032 40.901 40.800 0.115 0.000 0.955 35 D HN 0.087 nan 8.370 nan 0.000 0.446 36 S N -0.217 115.560 115.700 0.129 0.000 2.348 36 S HA -0.198 4.272 4.470 -0.000 0.000 0.221 36 S C 2.146 176.848 174.600 0.170 0.000 1.033 36 S CA 1.188 59.462 58.200 0.124 0.000 1.010 36 S CB -0.707 62.555 63.200 0.104 0.000 0.891 36 S HN 0.444 nan 8.310 nan 0.000 0.442 37 A N 2.029 124.987 122.820 0.231 0.000 1.927 37 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 37 A C 2.370 180.192 177.584 0.398 0.000 1.185 37 A CA 2.367 54.642 52.037 0.397 0.000 0.639 37 A CB -1.196 18.028 19.000 0.373 0.000 0.820 37 A HN 0.670 nan 8.150 nan 0.000 0.451 38 S N -0.820 115.055 115.700 0.291 0.000 2.469 38 S HA 0.026 4.496 4.470 -0.000 0.000 0.238 38 S C 1.457 176.262 174.600 0.342 0.000 0.998 38 S CA 1.333 59.721 58.200 0.313 0.000 0.957 38 S CB -0.414 62.946 63.200 0.266 0.000 0.764 38 S HN 0.441 nan 8.310 nan 0.000 0.514 39 L N 1.520 122.877 121.223 0.223 0.000 2.607 39 L HA 0.270 4.610 4.340 -0.000 0.000 0.228 39 L C 2.239 179.130 176.870 0.035 0.000 1.123 39 L CA 0.237 55.154 54.840 0.127 0.000 0.890 39 L CB 0.412 42.523 42.059 0.087 0.000 1.103 39 L HN 0.403 nan 8.230 nan 0.000 0.468 40 V N -1.873 118.038 119.914 -0.004 0.000 2.719 40 V HA 0.006 4.126 4.120 -0.000 0.000 0.252 40 V C 0.667 176.621 176.094 -0.234 0.000 1.065 40 V CA 0.666 62.829 62.300 -0.228 0.000 1.086 40 V CB -0.284 31.159 31.823 -0.632 0.000 0.700 40 V HN 0.565 nan 8.190 nan 0.000 0.467 41 C N -2.438 116.808 119.300 -0.090 0.000 2.951 41 C HA 0.394 4.854 4.460 -0.000 0.000 0.331 41 C C 1.143 176.202 174.990 0.115 0.000 1.256 41 C CA -0.437 58.557 59.018 -0.039 0.000 1.176 41 C CB 0.809 28.473 27.740 -0.126 0.000 1.349 41 C HN 0.449 nan 8.230 nan 0.000 0.473 42 R N 0.337 120.891 120.500 0.089 0.000 2.133 42 R HA -0.165 4.175 4.340 -0.000 0.000 0.247 42 R C 2.414 178.875 176.300 0.267 0.000 1.151 42 R CA 2.295 58.482 56.100 0.144 0.000 0.971 42 R CB -0.250 30.093 30.300 0.071 0.000 0.866 42 R HN 0.746 nan 8.270 nan 0.000 0.447 43 R N -0.335 120.320 120.500 0.260 0.000 2.073 43 R HA -0.139 4.201 4.340 -0.000 0.000 0.229 43 R C 1.764 178.284 176.300 0.367 0.000 1.120 43 R CA 1.341 57.615 56.100 0.290 0.000 0.967 43 R CB -0.076 30.398 30.300 0.291 0.000 0.862 43 R HN 0.235 nan 8.270 nan 0.000 0.436 44 W N 0.050 121.415 121.300 0.109 0.000 2.388 44 W HA -0.141 4.519 4.660 0.000 0.000 0.294 44 W C 1.958 178.541 176.519 0.107 0.000 1.212 44 W CA 0.558 57.959 57.345 0.093 0.000 1.271 44 W CB -1.010 28.503 29.460 0.089 0.000 1.126 44 W HN 0.068 nan 8.180 nan 0.000 0.535 45 F N 1.704 121.813 119.950 0.265 0.000 2.091 45 F HA -0.278 4.249 4.527 0.000 0.000 0.299 45 F C 2.328 178.196 175.800 0.114 0.000 1.103 45 F CA 2.509 60.603 58.000 0.156 0.000 1.228 45 F CB -0.505 38.553 39.000 0.096 0.000 0.984 45 F HN -0.193 nan 8.300 nan 0.000 0.477 46 K N 0.269 120.734 120.400 0.109 0.000 2.103 46 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 46 K C 2.097 178.659 176.600 -0.063 0.000 1.052 46 K CA 1.551 57.829 56.287 -0.014 0.000 0.945 46 K CB -0.212 32.368 32.500 0.133 0.000 0.722 46 K HN 0.382 nan 8.250 nan 0.000 0.443 47 I N 0.911 121.473 120.570 -0.014 0.000 2.315 47 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 47 I C 2.040 178.124 176.117 -0.054 0.000 1.117 47 I CA 1.392 62.665 61.300 -0.044 0.000 1.404 47 I CB -0.294 37.654 38.000 -0.086 0.000 1.071 47 I HN 0.292 nan 8.210 nan 0.000 0.419 48 D N 0.402 120.771 120.400 -0.053 0.000 2.097 48 D HA -0.243 4.397 4.640 -0.000 0.000 0.195 48 D C 2.283 178.588 176.300 0.008 0.000 0.989 48 D CA 1.738 55.731 54.000 -0.013 0.000 0.827 48 D CB -0.048 40.772 40.800 0.034 0.000 0.966 48 D HN 0.153 nan 8.370 nan 0.000 0.456 49 S N -0.440 115.163 115.700 -0.163 0.000 2.372 49 S HA -0.275 4.195 4.470 -0.000 0.000 0.227 49 S C 1.806 176.424 174.600 0.029 0.000 1.044 49 S CA 1.755 59.859 58.200 -0.160 0.000 1.050 49 S CB -0.544 62.373 63.200 -0.472 0.000 0.901 49 S HN 0.429 nan 8.310 nan 0.000 0.447 50 E N -0.334 119.858 120.200 -0.013 0.000 2.481 50 E HA 0.022 4.372 4.350 -0.000 0.000 0.195 50 E C 1.652 178.264 176.600 0.021 0.000 1.047 50 E CA 1.090 57.499 56.400 0.015 0.000 0.867 50 E CB 0.179 29.878 29.700 -0.001 0.000 0.858 50 E HN 0.881 nan 8.360 nan 0.000 0.513 51 T N -2.582 111.984 114.554 0.019 0.000 2.975 51 T HA 0.171 4.521 4.350 -0.000 0.000 0.257 51 T C 0.841 175.532 174.700 -0.014 0.000 1.003 51 T CA -0.563 61.535 62.100 -0.003 0.000 0.932 51 T CB 0.187 69.043 68.868 -0.020 0.000 1.087 51 T HN -0.185 nan 8.240 nan 0.000 0.512 52 R N 2.283 122.782 120.500 -0.001 0.000 2.504 52 R HA 0.092 4.432 4.340 -0.000 0.000 0.291 52 R C 0.966 177.193 176.300 -0.122 0.000 0.974 52 R CA 0.633 56.667 56.100 -0.111 0.000 1.077 52 R CB 0.073 30.183 30.300 -0.316 0.000 0.926 52 R HN 0.450 nan 8.270 nan 0.000 0.407 53 E N 1.315 121.447 120.200 -0.113 0.000 2.244 53 E HA -0.010 4.340 4.350 -0.000 0.000 0.196 53 E C -0.107 176.457 176.600 -0.060 0.000 0.939 53 E CA 0.251 56.609 56.400 -0.070 0.000 0.884 53 E CB 0.194 29.869 29.700 -0.041 0.000 0.850 53 E HN 0.511 nan 8.360 nan 0.000 0.481 54 H N 0.337 119.294 119.070 -0.187 0.000 2.600 54 H HA 0.449 5.005 4.556 -0.000 0.000 0.357 54 H C -1.535 173.642 175.328 -0.252 0.000 1.106 54 H CA -0.516 55.423 56.048 -0.182 0.000 1.193 54 H CB 1.451 31.136 29.762 -0.129 0.000 1.594 54 H HN -0.187 nan 8.280 nan 0.000 0.526 55 V N 4.230 123.710 119.914 -0.722 0.000 2.709 55 V HA 0.285 4.405 4.120 -0.000 0.000 0.308 55 V C -0.126 175.648 176.094 -0.534 0.000 1.062 55 V CA -0.655 61.359 62.300 -0.476 0.000 0.901 55 V CB 2.165 33.764 31.823 -0.373 0.000 1.003 55 V HN 0.869 nan 8.190 nan 0.000 0.425 56 T N 5.771 120.209 114.554 -0.193 0.000 2.823 56 T HA 0.599 4.949 4.350 -0.000 0.000 0.279 56 T C -0.371 174.273 174.700 -0.093 0.000 0.998 56 T CA -0.355 61.672 62.100 -0.123 0.000 0.994 56 T CB 1.147 70.033 68.868 0.030 0.000 0.960 56 T HN 0.485 nan 8.240 nan 0.000 0.448 57 M N 2.719 122.235 119.600 -0.139 0.000 2.072 57 M HA 0.393 4.873 4.480 -0.000 0.000 0.331 57 M C 1.088 177.332 176.300 -0.094 0.000 1.004 57 M CA -0.778 54.462 55.300 -0.101 0.000 0.952 57 M CB 1.530 34.023 32.600 -0.179 0.000 1.511 57 M HN 0.806 nan 8.290 nan 0.000 0.422 58 A N 4.362 127.164 122.820 -0.029 0.000 2.121 58 A HA 0.140 4.459 4.320 -0.000 0.000 0.218 58 A C 0.704 178.280 177.584 -0.014 0.000 1.154 58 A CA 0.934 52.948 52.037 -0.038 0.000 0.679 58 A CB 0.245 19.239 19.000 -0.010 0.000 0.795 58 A HN 0.726 nan 8.150 nan 0.000 0.458 59 L N 0.099 121.336 121.223 0.023 0.000 2.611 59 L HA 0.160 4.500 4.340 -0.000 0.000 0.263 59 L C 1.054 177.926 176.870 0.004 0.000 0.969 59 L CA -0.688 54.181 54.840 0.050 0.000 0.894 59 L CB 1.426 43.566 42.059 0.136 0.000 1.229 59 L HN 0.469 nan 8.230 nan 0.000 0.416 60 C N 1.998 121.227 119.300 -0.118 0.000 2.403 60 C HA -0.179 4.281 4.460 -0.000 0.000 0.282 60 C C 1.687 176.708 174.990 0.051 0.000 1.297 60 C CA 0.563 59.466 59.018 -0.191 0.000 1.785 60 C CB -1.467 26.044 27.740 -0.381 0.000 1.963 60 C HN 0.773 nan 8.230 nan 0.000 0.507 61 Y N 0.598 120.996 120.300 0.164 0.000 2.462 61 Y HA 0.097 4.647 4.550 0.000 0.000 0.293 61 Y C 2.679 178.739 175.900 0.267 0.000 1.195 61 Y CA 0.647 58.861 58.100 0.189 0.000 1.276 61 Y CB -0.213 38.286 38.460 0.065 0.000 1.082 61 Y HN 0.320 nan 8.280 nan 0.000 0.514 62 T N -0.272 114.501 114.554 0.366 0.000 3.054 62 T HA 0.364 4.713 4.350 -0.000 0.000 0.259 62 T C 0.442 175.341 174.700 0.332 0.000 1.092 62 T CA 0.672 62.994 62.100 0.370 0.000 1.121 62 T CB -0.057 68.987 68.868 0.294 0.000 0.912 62 T HN 0.267 nan 8.240 nan 0.000 0.489 63 A N 0.474 123.501 122.820 0.345 0.000 2.594 63 A HA 0.607 4.927 4.320 -0.000 0.000 0.295 63 A C -0.025 177.740 177.584 0.302 0.000 1.071 63 A CA -0.762 51.455 52.037 0.301 0.000 0.685 63 A CB 0.846 20.008 19.000 0.270 0.000 1.285 63 A HN 0.254 nan 8.150 nan 0.000 0.405 64 T N -0.373 114.271 114.554 0.150 0.000 2.898 64 T HA 0.446 4.796 4.350 -0.000 0.000 0.301 64 T C -1.921 172.677 174.700 -0.171 0.000 1.049 64 T CA -0.975 61.101 62.100 -0.040 0.000 1.095 64 T CB 0.666 69.506 68.868 -0.047 0.000 0.976 64 T HN 0.244 nan 8.240 nan 0.000 0.539 65 P HA -0.053 nan 4.420 nan 0.000 0.218 65 P C 1.165 178.378 177.300 -0.145 0.000 1.149 65 P CA 0.937 63.657 63.100 -0.633 0.000 0.817 65 P CB -0.022 31.112 31.700 -0.942 0.000 0.785 66 D N -0.309 120.010 120.400 -0.134 0.000 2.116 66 D HA -0.222 4.418 4.640 -0.000 0.000 0.193 66 D C 2.116 178.422 176.300 0.010 0.000 0.998 66 D CA 1.263 55.237 54.000 -0.044 0.000 0.836 66 D CB -0.339 40.437 40.800 -0.040 0.000 0.951 66 D HN -0.061 nan 8.370 nan 0.000 0.449 67 R N -0.600 119.918 120.500 0.030 0.000 2.075 67 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 67 R C 2.366 178.713 176.300 0.080 0.000 1.126 67 R CA 1.085 57.220 56.100 0.058 0.000 0.963 67 R CB -0.453 29.896 30.300 0.082 0.000 0.858 67 R HN 0.302 nan 8.270 nan 0.000 0.435 68 L N 0.815 122.134 121.223 0.159 0.000 2.012 68 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 68 L C 2.204 179.183 176.870 0.181 0.000 1.073 68 L CA 2.487 57.469 54.840 0.237 0.000 0.748 68 L CB -0.542 41.768 42.059 0.419 0.000 0.891 68 L HN 0.329 nan 8.230 nan 0.000 0.431 69 S N -0.996 114.788 115.700 0.140 0.000 2.496 69 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 69 S C 2.095 176.730 174.600 0.058 0.000 0.996 69 S CA 0.542 58.808 58.200 0.111 0.000 0.927 69 S CB -0.547 62.708 63.200 0.092 0.000 0.774 69 S HN 0.630 nan 8.310 nan 0.000 0.524 70 R N 1.458 121.976 120.500 0.030 0.000 2.062 70 R HA 0.090 4.430 4.340 -0.000 0.000 0.229 70 R C 2.494 178.769 176.300 -0.043 0.000 1.128 70 R CA 1.151 57.255 56.100 0.008 0.000 0.960 70 R CB -0.362 29.947 30.300 0.015 0.000 0.855 70 R HN 0.355 nan 8.270 nan 0.000 0.432 71 R N -0.036 120.387 120.500 -0.127 0.000 2.081 71 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 71 R C -0.000 175.953 176.300 -0.578 0.000 1.131 71 R CA 1.658 57.510 56.100 -0.413 0.000 0.960 71 R CB -0.070 29.851 30.300 -0.633 0.000 0.856 71 R HN 0.322 nan 8.270 nan 0.000 0.436 72 F N -0.302 119.653 119.950 0.008 0.000 2.564 72 F HA 0.367 4.894 4.527 -0.000 0.000 0.329 72 F C -1.771 174.030 175.800 0.000 0.000 1.458 72 F CA -2.206 55.786 58.000 -0.014 0.000 1.117 72 F CB 1.906 40.900 39.000 -0.010 0.000 1.383 72 F HN 0.020 nan 8.300 nan 0.000 0.571 73 P HA -0.112 nan 4.420 nan 0.000 0.222 73 P C -0.056 177.292 177.300 0.081 0.000 1.147 73 P CA 1.438 64.592 63.100 0.090 0.000 0.790 73 P CB 0.111 31.842 31.700 0.052 0.000 0.780 74 N N -1.003 117.748 118.700 0.085 0.000 2.328 74 N HA 0.169 4.909 4.740 -0.000 0.000 0.247 74 N C -0.208 175.320 175.510 0.031 0.000 1.165 74 N CA -0.351 52.728 53.050 0.049 0.000 0.873 74 N CB -0.019 38.488 38.487 0.033 0.000 1.125 74 N HN 0.044 nan 8.380 nan 0.000 0.513 75 L N 1.180 122.426 121.223 0.039 0.000 2.593 75 L HA -0.069 4.271 4.340 -0.000 0.000 0.287 75 L C 1.383 178.242 176.870 -0.018 0.000 1.243 75 L CA 0.443 55.273 54.840 -0.016 0.000 0.890 75 L CB 0.539 42.590 42.059 -0.014 0.000 1.134 75 L HN 0.316 nan 8.230 nan 0.000 0.502 76 R N 1.078 121.558 120.500 -0.034 0.000 2.225 76 R HA 0.145 4.485 4.340 -0.000 0.000 0.194 76 R C 0.335 176.617 176.300 -0.030 0.000 0.957 76 R CA 0.264 56.350 56.100 -0.023 0.000 1.042 76 R CB 0.396 30.685 30.300 -0.018 0.000 1.004 76 R HN 0.553 nan 8.270 nan 0.000 0.509 77 S N 0.667 116.337 115.700 -0.050 0.000 2.677 77 S HA 0.530 5.000 4.470 -0.000 0.000 0.283 77 S C -1.619 172.847 174.600 -0.225 0.000 1.159 77 S CA -0.695 57.475 58.200 -0.050 0.000 1.001 77 S CB 0.845 64.114 63.200 0.115 0.000 1.032 77 S HN 0.067 nan 8.310 nan 0.000 0.487 78 L N 4.261 125.359 121.223 -0.209 0.000 2.354 78 L HA 0.774 5.114 4.340 -0.000 0.000 0.269 78 L C -0.933 175.784 176.870 -0.256 0.000 1.005 78 L CA -0.235 54.434 54.840 -0.285 0.000 0.819 78 L CB 1.754 43.718 42.059 -0.159 0.000 1.311 78 L HN 0.731 nan 8.230 nan 0.000 0.423 79 K N 5.318 125.541 120.400 -0.294 0.000 2.637 79 K HA 0.566 4.886 4.320 -0.000 0.000 0.248 79 K C -2.160 174.290 176.600 -0.251 0.000 0.971 79 K CA -0.464 55.682 56.287 -0.236 0.000 0.858 79 K CB 0.916 33.297 32.500 -0.198 0.000 1.170 79 K HN 0.692 nan 8.250 nan 0.000 0.443 80 L N 3.863 124.965 121.223 -0.202 0.000 2.322 80 L HA 0.549 4.889 4.340 -0.000 0.000 0.281 80 L C -0.474 176.291 176.870 -0.176 0.000 1.014 80 L CA -1.011 53.676 54.840 -0.255 0.000 0.815 80 L CB 1.833 43.656 42.059 -0.393 0.000 1.247 80 L HN 0.477 nan 8.230 nan 0.000 0.421 81 K N 0.703 120.993 120.400 -0.183 0.000 2.156 81 K HA 0.697 5.017 4.320 -0.000 0.000 0.250 81 K C 0.344 176.882 176.600 -0.103 0.000 0.955 81 K CA -0.430 55.780 56.287 -0.129 0.000 0.855 81 K CB 2.314 34.733 32.500 -0.133 0.000 1.101 81 K HN 0.689 nan 8.250 nan 0.000 0.434 82 G N 1.242 110.013 108.800 -0.049 0.000 2.474 82 G HA2 0.114 4.074 3.960 -0.000 0.000 0.205 82 G HA3 0.114 4.074 3.960 -0.000 0.000 0.205 82 G C -0.600 174.379 174.900 0.131 0.000 1.934 82 G CA -0.314 44.815 45.100 0.047 0.000 0.713 82 G HN 0.388 nan 8.290 nan 0.000 0.773 83 K N 1.757 122.191 120.400 0.056 0.000 2.469 83 K HA 0.226 4.546 4.320 -0.000 0.000 0.274 83 K C -2.361 174.029 176.600 -0.349 0.000 0.983 83 K CA -0.992 55.116 56.287 -0.297 0.000 0.974 83 K CB 0.542 32.907 32.500 -0.224 0.000 0.913 83 K HN 0.098 nan 8.250 nan 0.000 0.493 84 P HA -0.027 nan 4.420 nan 0.000 0.267 84 P C 0.181 177.251 177.300 -0.383 0.000 1.200 84 P CA 0.089 62.975 63.100 -0.357 0.000 0.772 84 P CB 0.532 31.920 31.700 -0.519 0.000 0.855 85 R N 2.621 122.935 120.500 -0.310 0.000 2.154 85 R HA -0.246 4.094 4.340 -0.000 0.000 0.248 85 R C 1.909 178.100 176.300 -0.181 0.000 1.155 85 R CA 1.908 57.877 56.100 -0.218 0.000 0.979 85 R CB -0.781 29.422 30.300 -0.161 0.000 0.869 85 R HN 0.571 nan 8.270 nan 0.000 0.452 86 A N 0.241 122.779 122.820 -0.470 0.000 2.125 86 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 86 A C 2.164 179.620 177.584 -0.213 0.000 1.156 86 A CA 1.504 53.257 52.037 -0.474 0.000 0.671 86 A CB -0.414 17.768 19.000 -1.362 0.000 0.794 86 A HN 0.461 nan 8.150 nan 0.000 0.459 87 A N -0.435 122.220 122.820 -0.275 0.000 2.015 87 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 87 A C 1.992 179.482 177.584 -0.157 0.000 1.163 87 A CA 1.327 53.241 52.037 -0.205 0.000 0.646 87 A CB -0.520 18.340 19.000 -0.233 0.000 0.806 87 A HN 0.542 nan 8.150 nan 0.000 0.448 88 M N -1.497 117.986 119.600 -0.194 0.000 2.686 88 M HA 0.058 4.538 4.480 -0.000 0.000 0.246 88 M C -0.184 175.705 176.300 -0.685 0.000 1.096 88 M CA 0.884 55.930 55.300 -0.424 0.000 1.076 88 M CB -0.153 32.114 32.600 -0.555 0.000 1.504 88 M HN 0.440 nan 8.290 nan 0.000 0.524 89 F N -0.272 119.608 119.950 -0.117 0.000 2.835 89 F HA 0.321 4.848 4.527 0.000 0.000 0.342 89 F C 0.333 176.086 175.800 -0.078 0.000 1.202 89 F CA -0.794 57.157 58.000 -0.082 0.000 1.240 89 F CB -0.147 38.810 39.000 -0.072 0.000 1.005 89 F HN 0.094 nan 8.300 nan 0.000 0.507 90 N N 1.690 120.399 118.700 0.015 0.000 2.708 90 N HA -0.211 4.529 4.740 -0.000 0.000 0.251 90 N C 0.628 176.120 175.510 -0.029 0.000 1.017 90 N CA 0.717 53.768 53.050 0.002 0.000 0.742 90 N CB -1.030 37.474 38.487 0.027 0.000 0.943 90 N HN 0.468 nan 8.380 nan 0.000 0.539 91 L N -1.091 120.105 121.223 -0.046 0.000 2.609 91 L HA 0.250 4.590 4.340 -0.000 0.000 0.230 91 L C 0.675 177.592 176.870 0.077 0.000 1.087 91 L CA 0.363 55.158 54.840 -0.074 0.000 0.874 91 L CB 0.262 42.298 42.059 -0.038 0.000 1.114 91 L HN 0.096 nan 8.230 nan 0.000 0.488 92 I N 1.128 121.692 120.570 -0.010 0.000 2.377 92 I HA 0.352 4.522 4.170 -0.000 0.000 0.293 92 I C -2.008 174.156 176.117 0.078 0.000 0.987 92 I CA -2.399 58.906 61.300 0.009 0.000 1.185 92 I CB 1.165 39.034 38.000 -0.219 0.000 1.341 92 I HN -0.221 nan 8.210 nan 0.000 0.455 93 P HA 0.006 nan 4.420 nan 0.000 0.266 93 P C 0.714 178.111 177.300 0.162 0.000 1.193 93 P CA 0.074 63.279 63.100 0.174 0.000 0.770 93 P CB 0.937 32.770 31.700 0.223 0.000 0.836 94 E N 2.865 123.135 120.200 0.117 0.000 2.110 94 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 94 E C 1.117 177.785 176.600 0.114 0.000 0.988 94 E CA 1.624 58.077 56.400 0.088 0.000 0.804 94 E CB -0.523 29.210 29.700 0.055 0.000 0.745 94 E HN 0.442 nan 8.360 nan 0.000 0.458 95 N N -0.414 118.371 118.700 0.142 0.000 2.370 95 N HA -0.082 4.658 4.740 -0.000 0.000 0.198 95 N C 1.203 176.816 175.510 0.170 0.000 1.156 95 N CA 0.274 53.413 53.050 0.147 0.000 0.839 95 N CB -1.120 37.457 38.487 0.150 0.000 0.989 95 N HN 0.337 nan 8.380 nan 0.000 0.468 96 W N 1.683 122.997 121.300 0.025 0.000 2.321 96 W HA -0.007 4.653 4.660 -0.000 0.000 0.306 96 W C 0.728 177.272 176.519 0.042 0.000 1.217 96 W CA 2.441 59.813 57.345 0.045 0.000 1.257 96 W CB -0.113 29.379 29.460 0.054 0.000 1.145 96 W HN 0.293 nan 8.180 nan 0.000 0.509 97 G N -3.504 105.307 108.800 0.019 0.000 2.350 97 G HA2 0.381 4.341 3.960 -0.000 0.000 0.276 97 G HA3 0.381 4.341 3.960 -0.000 0.000 0.276 97 G C 0.296 175.162 174.900 -0.057 0.000 1.313 97 G CA 0.065 45.007 45.100 -0.264 0.000 0.903 97 G HN 1.025 nan 8.290 nan 0.000 0.490 98 G N -1.686 107.137 108.800 0.038 0.000 2.131 98 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.223 98 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.223 98 G C 0.286 175.089 174.900 -0.161 0.000 0.990 98 G CA 0.488 45.566 45.100 -0.037 0.000 0.671 98 G HN 1.462 nan 8.290 nan 0.000 0.521 99 Y N -0.552 119.783 120.300 0.059 0.000 2.729 99 Y HA 0.245 4.795 4.550 -0.000 0.000 0.331 99 Y C 1.671 177.572 175.900 0.002 0.000 1.208 99 Y CA 0.653 58.769 58.100 0.026 0.000 1.521 99 Y CB 1.193 39.682 38.460 0.049 0.000 1.233 99 Y HN -0.003 nan 8.280 nan 0.000 0.539 100 V N 3.205 123.135 119.914 0.027 0.000 3.461 100 V HA -0.160 3.960 4.120 -0.000 0.000 0.267 100 V C 1.981 178.103 176.094 0.046 0.000 1.186 100 V CA 1.820 64.042 62.300 -0.129 0.000 1.154 100 V CB -0.327 31.098 31.823 -0.664 0.000 0.802 100 V HN 1.063 nan 8.190 nan 0.000 0.474 101 T N -0.064 114.537 114.554 0.079 0.000 2.821 101 T HA -0.040 4.310 4.350 -0.000 0.000 0.267 101 T C -0.004 174.706 174.700 0.016 0.000 1.046 101 T CA 1.472 63.597 62.100 0.043 0.000 1.139 101 T CB -0.990 67.895 68.868 0.029 0.000 0.871 101 T HN 0.434 nan 8.240 nan 0.000 0.454 102 P HA 0.026 nan 4.420 nan 0.000 0.218 102 P C 0.666 177.822 177.300 -0.241 0.000 1.149 102 P CA 0.969 63.953 63.100 -0.192 0.000 0.817 102 P CB -0.323 31.176 31.700 -0.335 0.000 0.785 103 W N -0.243 121.052 121.300 -0.008 0.000 2.388 103 W HA -0.084 4.576 4.660 -0.000 0.000 0.294 103 W C 2.339 178.891 176.519 0.054 0.000 1.212 103 W CA 0.886 58.246 57.345 0.025 0.000 1.271 103 W CB -1.378 28.099 29.460 0.027 0.000 1.126 103 W HN -0.180 nan 8.180 nan 0.000 0.535 104 V N -0.229 119.826 119.914 0.236 0.000 2.548 104 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 104 V C 2.139 178.293 176.094 0.099 0.000 1.055 104 V CA 2.588 64.997 62.300 0.183 0.000 1.065 104 V CB -1.091 30.830 31.823 0.163 0.000 0.681 104 V HN 0.279 nan 8.190 nan 0.000 0.462 105 T N -1.093 113.489 114.554 0.046 0.000 2.867 105 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 105 T C 1.831 176.539 174.700 0.014 0.000 1.057 105 T CA 1.822 63.931 62.100 0.014 0.000 1.136 105 T CB -0.412 68.446 68.868 -0.017 0.000 0.874 105 T HN 0.603 nan 8.240 nan 0.000 0.466 106 E N 1.035 121.240 120.200 0.008 0.000 2.051 106 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 106 E C 2.022 178.665 176.600 0.071 0.000 0.991 106 E CA 1.322 57.733 56.400 0.018 0.000 0.799 106 E CB -0.682 29.011 29.700 -0.012 0.000 0.748 106 E HN 0.707 nan 8.360 nan 0.000 0.449 107 I N -0.028 120.613 120.570 0.118 0.000 2.151 107 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 107 I C 2.418 178.574 176.117 0.066 0.000 1.080 107 I CA 1.269 62.635 61.300 0.109 0.000 1.339 107 I CB -0.401 37.683 38.000 0.139 0.000 1.039 107 I HN 0.080 nan 8.210 nan 0.000 0.409 108 S N 0.610 116.342 115.700 0.053 0.000 2.372 108 S HA -0.246 4.224 4.470 -0.000 0.000 0.227 108 S C 1.648 176.262 174.600 0.023 0.000 1.044 108 S CA 2.241 60.459 58.200 0.030 0.000 1.050 108 S CB -0.527 62.684 63.200 0.018 0.000 0.901 108 S HN 0.538 nan 8.310 nan 0.000 0.447 109 N N 0.114 118.828 118.700 0.023 0.000 2.336 109 N HA 0.117 4.857 4.740 -0.000 0.000 0.177 109 N C 0.873 176.396 175.510 0.022 0.000 1.018 109 N CA 0.679 53.739 53.050 0.016 0.000 0.878 109 N CB 0.142 38.634 38.487 0.008 0.000 0.997 109 N HN 0.256 nan 8.380 nan 0.000 0.433 110 N N -0.226 118.494 118.700 0.033 0.000 2.129 110 N HA 0.173 4.913 4.740 -0.000 0.000 0.222 110 N C -0.495 175.046 175.510 0.051 0.000 1.303 110 N CA 0.142 53.215 53.050 0.038 0.000 0.897 110 N CB 1.215 39.724 38.487 0.036 0.000 1.093 110 N HN 0.064 nan 8.380 nan 0.000 0.501 111 L N 1.493 122.751 121.223 0.059 0.000 2.828 111 L HA 0.368 4.708 4.340 -0.000 0.000 0.233 111 L C 0.966 177.861 176.870 0.043 0.000 1.250 111 L CA -0.201 54.676 54.840 0.061 0.000 1.125 111 L CB 0.438 42.546 42.059 0.081 0.000 1.432 111 L HN -0.292 nan 8.230 nan 0.000 0.444 112 R N 0.013 120.533 120.500 0.034 0.000 2.369 112 R HA -0.111 4.229 4.340 -0.000 0.000 0.200 112 R C 1.534 177.845 176.300 0.019 0.000 1.046 112 R CA 0.638 56.753 56.100 0.024 0.000 1.057 112 R CB -0.168 30.144 30.300 0.021 0.000 0.888 112 R HN 0.407 nan 8.270 nan 0.000 0.474 113 Q N -1.056 118.755 119.800 0.019 0.000 2.214 113 Q HA 0.202 4.542 4.340 -0.000 0.000 0.229 113 Q C -0.705 175.298 176.000 0.004 0.000 0.835 113 Q CA -0.201 55.608 55.803 0.011 0.000 0.953 113 Q CB 0.586 29.331 28.738 0.011 0.000 1.131 113 Q HN 0.102 nan 8.270 nan 0.000 0.501 114 L N 1.854 123.081 121.223 0.007 0.000 2.499 114 L HA 0.042 4.382 4.340 -0.000 0.000 0.273 114 L C 0.748 177.611 176.870 -0.011 0.000 1.195 114 L CA 1.067 55.905 54.840 -0.004 0.000 0.882 114 L CB 0.638 42.699 42.059 0.004 0.000 1.133 114 L HN 0.212 nan 8.230 nan 0.000 0.483 115 K N 1.249 121.636 120.400 -0.021 0.000 2.450 115 K HA 0.261 4.581 4.320 -0.000 0.000 0.206 115 K C 0.117 176.695 176.600 -0.035 0.000 1.148 115 K CA -0.079 56.195 56.287 -0.022 0.000 1.014 115 K CB 0.556 33.047 32.500 -0.016 0.000 0.966 115 K HN 0.428 nan 8.250 nan 0.000 0.566 116 S N 0.717 116.389 115.700 -0.047 0.000 2.575 116 S HA 0.537 5.007 4.470 -0.000 0.000 0.278 116 S C -1.417 173.115 174.600 -0.113 0.000 1.139 116 S CA -0.532 57.628 58.200 -0.067 0.000 0.954 116 S CB 1.941 65.121 63.200 -0.034 0.000 1.054 116 S HN 0.042 nan 8.310 nan 0.000 0.483 117 V N 4.974 124.775 119.914 -0.189 0.000 2.638 117 V HA 0.520 4.640 4.120 -0.000 0.000 0.306 117 V C -0.718 175.141 176.094 -0.393 0.000 1.052 117 V CA -0.696 61.395 62.300 -0.348 0.000 0.885 117 V CB 1.645 33.144 31.823 -0.540 0.000 0.999 117 V HN 1.021 nan 8.190 nan 0.000 0.424 118 H N 4.532 123.320 119.070 -0.471 0.000 2.800 118 H HA 0.625 5.181 4.556 -0.000 0.000 0.322 118 H C -1.760 173.400 175.328 -0.282 0.000 0.979 118 H CA -0.748 55.100 56.048 -0.334 0.000 1.277 118 H CB 0.931 30.601 29.762 -0.154 0.000 1.484 118 H HN 0.495 nan 8.280 nan 0.000 0.512 119 F N 3.811 123.885 119.950 0.206 0.000 2.420 119 F HA 0.413 4.940 4.527 -0.000 0.000 0.342 119 F C 0.271 176.152 175.800 0.135 0.000 1.113 119 F CA -0.822 57.216 58.000 0.063 0.000 1.059 119 F CB 1.499 40.498 39.000 -0.000 0.000 1.128 119 F HN 0.464 nan 8.300 nan 0.000 0.475 120 R N 2.856 123.475 120.500 0.197 0.000 2.451 120 R HA 0.502 4.842 4.340 -0.000 0.000 0.307 120 R C -0.228 176.090 176.300 0.029 0.000 0.965 120 R CA -0.621 55.543 56.100 0.105 0.000 0.865 120 R CB 0.665 30.947 30.300 -0.031 0.000 1.174 120 R HN 0.761 nan 8.270 nan 0.000 0.455 121 R N 3.461 123.980 120.500 0.032 0.000 3.336 121 R HA -0.166 4.174 4.340 -0.000 0.000 0.260 121 R C -0.723 175.579 176.300 0.003 0.000 1.032 121 R CA 1.040 57.136 56.100 -0.007 0.000 0.693 121 R CB -1.118 29.147 30.300 -0.059 0.000 1.134 121 R HN 0.581 nan 8.270 nan 0.000 0.433 122 M N 0.480 120.092 119.600 0.021 0.000 2.690 122 M HA 0.484 4.964 4.480 -0.000 0.000 0.302 122 M C 0.344 176.634 176.300 -0.017 0.000 1.234 122 M CA -1.137 54.145 55.300 -0.028 0.000 0.853 122 M CB 1.831 34.368 32.600 -0.105 0.000 1.748 122 M HN -0.099 nan 8.290 nan 0.000 0.469 123 I N 2.889 123.415 120.570 -0.074 0.000 2.322 123 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 123 I C -0.433 175.703 176.117 0.031 0.000 1.060 123 I CA -0.338 60.950 61.300 -0.020 0.000 1.309 123 I CB 0.174 38.090 38.000 -0.140 0.000 1.415 123 I HN 0.294 nan 8.210 nan 0.000 0.492 124 V N 6.137 126.123 119.914 0.120 0.000 2.409 124 V HA 0.352 4.472 4.120 -0.000 0.000 0.291 124 V C 0.468 176.702 176.094 0.233 0.000 1.020 124 V CA -0.504 61.853 62.300 0.096 0.000 0.848 124 V CB 1.788 33.630 31.823 0.033 0.000 0.990 124 V HN 0.903 nan 8.190 nan 0.000 0.430 125 S N 2.074 117.870 115.700 0.161 0.000 2.713 125 S HA 0.374 4.844 4.470 -0.000 0.000 0.283 125 S C 0.569 175.261 174.600 0.152 0.000 1.161 125 S CA -0.560 57.745 58.200 0.175 0.000 0.999 125 S CB 1.584 64.859 63.200 0.124 0.000 1.039 125 S HN 0.600 nan 8.310 nan 0.000 0.548 126 D N 0.098 120.586 120.400 0.147 0.000 2.144 126 D HA -0.052 4.588 4.640 -0.000 0.000 0.200 126 D C 1.728 178.070 176.300 0.069 0.000 0.978 126 D CA 0.777 54.845 54.000 0.114 0.000 0.833 126 D CB -0.388 40.473 40.800 0.103 0.000 0.961 126 D HN 0.424 nan 8.370 nan 0.000 0.470 127 L N 1.464 122.723 121.223 0.060 0.000 2.017 127 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 127 L C 1.371 178.260 176.870 0.032 0.000 1.073 127 L CA 1.974 56.836 54.840 0.038 0.000 0.745 127 L CB -0.745 41.332 42.059 0.030 0.000 0.894 127 L HN -0.028 nan 8.230 nan 0.000 0.432 128 D N -0.592 119.832 120.400 0.041 0.000 2.224 128 D HA -0.200 4.440 4.640 -0.000 0.000 0.205 128 D C 2.059 178.383 176.300 0.041 0.000 0.965 128 D CA 1.594 55.616 54.000 0.036 0.000 0.852 128 D CB -0.757 40.061 40.800 0.029 0.000 0.947 128 D HN 0.530 nan 8.370 nan 0.000 0.494 129 L N -1.365 119.877 121.223 0.033 0.000 2.240 129 L HA 0.156 4.496 4.340 -0.000 0.000 0.211 129 L C 1.693 178.567 176.870 0.007 0.000 1.106 129 L CA 1.593 56.445 54.840 0.019 0.000 0.793 129 L CB -0.802 41.239 42.059 -0.029 0.000 0.927 129 L HN -0.163 nan 8.230 nan 0.000 0.446 130 D N 0.898 121.302 120.400 0.008 0.000 2.144 130 D HA -0.183 4.457 4.640 -0.000 0.000 0.199 130 D C 2.368 178.631 176.300 -0.062 0.000 0.984 130 D CA 1.416 55.403 54.000 -0.021 0.000 0.834 130 D CB 0.141 40.940 40.800 -0.003 0.000 0.955 130 D HN 0.247 nan 8.370 nan 0.000 0.465 131 R N -0.271 120.213 120.500 -0.027 0.000 2.075 131 R HA 0.004 4.344 4.340 -0.000 0.000 0.232 131 R C 2.421 178.709 176.300 -0.021 0.000 1.126 131 R CA 0.498 56.581 56.100 -0.028 0.000 0.963 131 R CB -0.357 29.942 30.300 -0.001 0.000 0.858 131 R HN 0.281 nan 8.270 nan 0.000 0.435 132 L N 0.425 121.655 121.223 0.011 0.000 2.012 132 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 132 L C 2.386 179.250 176.870 -0.010 0.000 1.073 132 L CA 1.692 56.550 54.840 0.030 0.000 0.748 132 L CB -0.536 41.565 42.059 0.070 0.000 0.891 132 L HN 0.255 nan 8.230 nan 0.000 0.431 133 A N -0.050 122.750 122.820 -0.035 0.000 1.883 133 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 133 A C 2.238 179.753 177.584 -0.115 0.000 1.186 133 A CA 2.008 54.018 52.037 -0.044 0.000 0.624 133 A CB -0.422 18.562 19.000 -0.027 0.000 0.822 133 A HN 0.412 nan 8.150 nan 0.000 0.444 134 K N -0.591 119.669 120.400 -0.234 0.000 2.155 134 K HA 0.060 4.380 4.320 -0.000 0.000 0.203 134 K C 2.135 178.677 176.600 -0.096 0.000 1.052 134 K CA 0.926 57.059 56.287 -0.258 0.000 0.948 134 K CB -0.206 32.120 32.500 -0.290 0.000 0.728 134 K HN 0.448 nan 8.250 nan 0.000 0.448 135 A N 0.629 123.414 122.820 -0.058 0.000 2.016 135 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 135 A C 1.974 179.554 177.584 -0.006 0.000 1.162 135 A CA 1.115 53.139 52.037 -0.021 0.000 0.662 135 A CB 0.030 19.028 19.000 -0.004 0.000 0.812 135 A HN 0.043 nan 8.150 nan 0.000 0.450 136 R N -2.257 118.240 120.500 -0.005 0.000 2.287 136 R HA 0.478 4.818 4.340 -0.000 0.000 0.197 136 R C 1.279 177.586 176.300 0.011 0.000 0.900 136 R CA 0.979 57.082 56.100 0.005 0.000 1.052 136 R CB -0.267 30.036 30.300 0.005 0.000 1.117 136 R HN 0.544 nan 8.270 nan 0.000 0.568 137 A N 0.880 123.711 122.820 0.018 0.000 5.393 137 A HA -0.396 3.924 4.320 -0.000 0.000 0.342 137 A C 1.157 178.765 177.584 0.039 0.000 1.698 137 A CA 2.030 54.095 52.037 0.048 0.000 0.727 137 A CB -1.666 17.365 19.000 0.051 0.000 1.446 137 A HN 0.390 nan 8.150 nan 0.000 0.408 138 D N 0.026 120.446 120.400 0.033 0.000 2.351 138 D HA 0.031 4.671 4.640 -0.000 0.000 0.216 138 D C 1.150 177.458 176.300 0.014 0.000 0.968 138 D CA 1.321 55.334 54.000 0.022 0.000 0.899 138 D CB -0.385 40.426 40.800 0.018 0.000 0.907 138 D HN 0.485 nan 8.370 nan 0.000 0.514 139 D N -0.358 120.049 120.400 0.011 0.000 2.317 139 D HA -0.033 4.607 4.640 -0.000 0.000 0.211 139 D C 0.561 176.860 176.300 -0.002 0.000 0.966 139 D CA -0.004 53.999 54.000 0.004 0.000 0.876 139 D CB 0.025 40.827 40.800 0.004 0.000 0.927 139 D HN 0.134 nan 8.370 nan 0.000 0.519 140 L N 1.728 122.950 121.223 -0.001 0.000 2.515 140 L HA 0.047 4.386 4.340 -0.000 0.000 0.281 140 L C 1.117 177.980 176.870 -0.012 0.000 1.131 140 L CA 0.417 55.249 54.840 -0.012 0.000 0.905 140 L CB 0.167 42.218 42.059 -0.013 0.000 1.246 140 L HN -0.103 nan 8.230 nan 0.000 0.463 141 E N 1.382 121.571 120.200 -0.018 0.000 2.190 141 E HA 0.019 4.368 4.350 -0.000 0.000 0.191 141 E C 0.157 176.743 176.600 -0.024 0.000 0.978 141 E CA 0.696 57.086 56.400 -0.016 0.000 0.839 141 E CB 0.449 30.140 29.700 -0.016 0.000 0.787 141 E HN 0.654 nan 8.360 nan 0.000 0.473 142 T N -0.196 114.333 114.554 -0.041 0.000 2.952 142 T HA 0.486 4.836 4.350 -0.000 0.000 0.305 142 T C -1.786 172.856 174.700 -0.097 0.000 1.064 142 T CA -0.899 61.166 62.100 -0.059 0.000 1.008 142 T CB 1.482 70.316 68.868 -0.056 0.000 1.078 142 T HN -0.027 nan 8.240 nan 0.000 0.459 143 L N 3.404 124.559 121.223 -0.112 0.000 2.409 143 L HA 0.723 5.063 4.340 -0.000 0.000 0.272 143 L C -1.165 175.595 176.870 -0.184 0.000 0.980 143 L CA -0.359 54.381 54.840 -0.168 0.000 0.826 143 L CB 1.743 43.720 42.059 -0.136 0.000 1.268 143 L HN 0.759 nan 8.230 nan 0.000 0.407 144 K N 6.756 127.001 120.400 -0.257 0.000 2.572 144 K HA 0.470 4.790 4.320 -0.000 0.000 0.244 144 K C -1.227 175.261 176.600 -0.186 0.000 0.965 144 K CA -0.453 55.660 56.287 -0.290 0.000 0.943 144 K CB 1.360 33.491 32.500 -0.616 0.000 1.154 144 K HN 0.578 nan 8.250 nan 0.000 0.447 145 L N 3.156 124.327 121.223 -0.087 0.000 2.358 145 L HA 0.164 4.504 4.340 -0.000 0.000 0.274 145 L C -0.101 176.820 176.870 0.085 0.000 1.136 145 L CA -0.443 54.414 54.840 0.029 0.000 0.970 145 L CB -0.127 41.891 42.059 -0.068 0.000 1.314 145 L HN 0.482 nan 8.230 nan 0.000 0.427 146 D N 4.938 125.400 120.400 0.103 0.000 2.412 146 D HA 0.151 4.791 4.640 -0.000 0.000 0.224 146 D C 0.240 176.601 176.300 0.103 0.000 1.093 146 D CA -0.415 53.641 54.000 0.093 0.000 0.850 146 D CB 0.585 41.475 40.800 0.150 0.000 1.046 146 D HN 0.320 nan 8.370 nan 0.000 0.507 147 K N 1.728 122.169 120.400 0.069 0.000 3.077 147 K HA -0.171 4.149 4.320 -0.000 0.000 0.264 147 K C -0.352 176.281 176.600 0.054 0.000 1.008 147 K CA 0.340 56.643 56.287 0.026 0.000 0.740 147 K CB -2.267 30.221 32.500 -0.021 0.000 1.273 147 K HN 0.413 nan 8.250 nan 0.000 0.477 148 C N 0.317 119.699 119.300 0.137 0.000 2.325 148 C HA 0.700 5.160 4.460 -0.000 0.000 0.370 148 C C 1.032 176.145 174.990 0.204 0.000 1.217 148 C CA -0.142 58.988 59.018 0.186 0.000 2.254 148 C CB 1.512 29.415 27.740 0.271 0.000 2.282 148 C HN 0.646 nan 8.230 nan 0.000 0.564 149 S N -1.009 114.802 115.700 0.185 0.000 2.651 149 S HA 0.791 5.261 4.470 -0.000 0.000 0.279 149 S C 0.004 174.690 174.600 0.143 0.000 1.148 149 S CA 0.289 58.527 58.200 0.063 0.000 0.837 149 S CB 1.307 64.490 63.200 -0.028 0.000 1.138 149 S HN 2.311 nan 8.310 nan 0.000 0.478 150 G N -0.059 108.745 108.800 0.006 0.000 2.179 150 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.220 150 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.220 150 G C -0.170 174.817 174.900 0.144 0.000 0.990 150 G CA 0.116 45.267 45.100 0.085 0.000 0.646 150 G HN 1.484 nan 8.290 nan 0.000 0.517 151 F N 0.764 120.767 119.950 0.087 0.000 2.561 151 F HA 0.940 5.467 4.527 -0.000 0.000 0.384 151 F C 0.521 176.377 175.800 0.094 0.000 1.131 151 F CA -0.233 57.813 58.000 0.076 0.000 1.133 151 F CB 0.894 39.926 39.000 0.054 0.000 1.506 151 F HN 0.522 nan 8.300 nan 0.000 0.499 152 T N -4.172 110.498 114.554 0.193 0.000 2.754 152 T HA 0.275 4.625 4.350 -0.000 0.000 0.296 152 T C 0.626 175.357 174.700 0.052 0.000 1.205 152 T CA -0.047 62.083 62.100 0.050 0.000 1.009 152 T CB 0.744 69.646 68.868 0.056 0.000 1.368 152 T HN 0.989 nan 8.240 nan 0.000 0.509 153 T N -1.313 113.222 114.554 -0.032 0.000 2.929 153 T HA -0.077 4.273 4.350 -0.000 0.000 0.271 153 T C 1.131 175.849 174.700 0.031 0.000 1.085 153 T CA 1.642 63.712 62.100 -0.050 0.000 1.125 153 T CB -0.798 68.122 68.868 0.087 0.000 0.874 153 T HN 0.609 nan 8.240 nan 0.000 0.494 154 D N 1.770 122.208 120.400 0.063 0.000 2.144 154 D HA 0.005 4.645 4.640 -0.000 0.000 0.199 154 D C 2.381 178.722 176.300 0.068 0.000 0.984 154 D CA 1.381 55.426 54.000 0.074 0.000 0.834 154 D CB -0.939 39.905 40.800 0.072 0.000 0.955 154 D HN 0.584 nan 8.370 nan 0.000 0.465 155 G N 1.071 109.915 108.800 0.072 0.000 2.433 155 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 155 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 155 G C 1.795 176.685 174.900 -0.016 0.000 1.186 155 G CA 0.343 45.472 45.100 0.049 0.000 0.779 155 G HN 0.239 nan 8.290 nan 0.000 0.543 156 L N -0.231 120.936 121.223 -0.092 0.000 2.013 156 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 156 L C 2.773 179.638 176.870 -0.010 0.000 1.073 156 L CA 0.876 55.595 54.840 -0.201 0.000 0.753 156 L CB -0.601 41.091 42.059 -0.612 0.000 0.890 156 L HN 0.229 nan 8.230 nan 0.000 0.432 157 L N -0.437 120.831 121.223 0.074 0.000 2.042 157 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 157 L C 2.784 179.722 176.870 0.113 0.000 1.076 157 L CA 2.054 56.982 54.840 0.146 0.000 0.749 157 L CB -0.633 41.509 42.059 0.138 0.000 0.893 157 L HN 0.174 nan 8.230 nan 0.000 0.432 158 S N -0.661 115.106 115.700 0.111 0.000 2.368 158 S HA -0.185 4.285 4.470 -0.000 0.000 0.225 158 S C 2.077 176.809 174.600 0.220 0.000 1.030 158 S CA 1.579 59.889 58.200 0.184 0.000 0.999 158 S CB -0.592 62.693 63.200 0.142 0.000 0.844 158 S HN 0.594 nan 8.310 nan 0.000 0.459 159 I N 0.758 121.391 120.570 0.106 0.000 2.286 159 I HA 0.019 4.189 4.170 -0.000 0.000 0.245 159 I C 2.103 178.273 176.117 0.089 0.000 1.104 159 I CA 1.338 62.690 61.300 0.086 0.000 1.397 159 I CB -0.730 37.278 38.000 0.013 0.000 1.072 159 I HN 0.224 nan 8.210 nan 0.000 0.417 160 V N -0.296 119.671 119.914 0.089 0.000 2.970 160 V HA -0.103 4.017 4.120 -0.000 0.000 0.260 160 V C 2.391 178.514 176.094 0.049 0.000 1.100 160 V CA 1.865 64.220 62.300 0.093 0.000 1.122 160 V CB -1.858 30.058 31.823 0.155 0.000 0.721 160 V HN 0.736 nan 8.190 nan 0.000 0.483 161 T N -2.045 112.517 114.554 0.013 0.000 3.044 161 T HA 0.011 4.361 4.350 -0.000 0.000 0.255 161 T C 1.620 176.193 174.700 -0.212 0.000 1.073 161 T CA 1.241 63.267 62.100 -0.125 0.000 1.125 161 T CB -0.507 68.240 68.868 -0.201 0.000 0.908 161 T HN 0.609 nan 8.240 nan 0.000 0.480 162 H N -0.485 118.581 119.070 -0.007 0.000 2.547 162 H HA 0.407 4.963 4.556 -0.000 0.000 0.272 162 H C 0.397 175.720 175.328 -0.007 0.000 0.971 162 H CA 0.126 56.168 56.048 -0.010 0.000 1.245 162 H CB 0.227 29.987 29.762 -0.003 0.000 1.440 162 H HN 0.351 nan 8.280 nan 0.000 0.540 163 C N 2.132 121.496 119.300 0.107 0.000 2.170 163 C HA 0.281 4.740 4.460 -0.000 0.000 0.339 163 C C 1.185 176.197 174.990 0.038 0.000 1.056 163 C CA -0.646 58.409 59.018 0.061 0.000 1.535 163 C CB -0.540 27.230 27.740 0.049 0.000 1.785 163 C HN 0.568 nan 8.230 nan 0.000 0.440 164 R N 0.772 121.287 120.500 0.025 0.000 2.297 164 R HA 0.040 4.380 4.340 -0.000 0.000 0.197 164 R C 0.943 177.258 176.300 0.024 0.000 0.943 164 R CA 0.561 56.670 56.100 0.016 0.000 1.038 164 R CB 0.210 30.508 30.300 -0.004 0.000 0.957 164 R HN 0.593 nan 8.270 nan 0.000 0.484 165 K N 0.990 121.403 120.400 0.022 0.000 2.537 165 K HA 0.278 4.598 4.320 -0.000 0.000 0.206 165 K C -0.156 176.454 176.600 0.017 0.000 1.041 165 K CA -0.186 56.112 56.287 0.018 0.000 1.090 165 K CB 0.747 33.254 32.500 0.012 0.000 0.833 165 K HN 0.038 nan 8.250 nan 0.000 0.493 166 I N 2.030 122.614 120.570 0.023 0.000 2.741 166 I HA -0.129 4.040 4.170 -0.000 0.000 0.288 166 I C 1.109 177.238 176.117 0.020 0.000 1.192 166 I CA 0.785 62.097 61.300 0.019 0.000 1.426 166 I CB 0.404 38.422 38.000 0.030 0.000 1.367 166 I HN 0.173 nan 8.210 nan 0.000 0.563 167 K N 2.960 123.364 120.400 0.008 0.000 2.244 167 K HA 0.031 4.351 4.320 -0.000 0.000 0.200 167 K C 0.753 177.358 176.600 0.008 0.000 1.052 167 K CA 0.685 56.976 56.287 0.008 0.000 0.980 167 K CB 0.295 32.794 32.500 -0.002 0.000 0.838 167 K HN 0.743 nan 8.250 nan 0.000 0.481 168 T N 0.472 115.024 114.554 -0.003 0.000 2.881 168 T HA 0.469 4.819 4.350 -0.000 0.000 0.291 168 T C -1.682 173.009 174.700 -0.014 0.000 0.990 168 T CA -0.852 61.243 62.100 -0.008 0.000 0.976 168 T CB 1.128 69.981 68.868 -0.026 0.000 0.970 168 T HN -0.035 nan 8.240 nan 0.000 0.438 169 L N 5.707 126.939 121.223 0.015 0.000 2.372 169 L HA 0.841 5.181 4.340 -0.000 0.000 0.274 169 L C -1.675 175.219 176.870 0.040 0.000 0.988 169 L CA -0.744 54.109 54.840 0.021 0.000 0.833 169 L CB 1.456 43.559 42.059 0.074 0.000 1.236 169 L HN 0.851 nan 8.230 nan 0.000 0.410 170 L N 5.367 126.586 121.223 -0.007 0.000 2.410 170 L HA 0.579 4.919 4.340 -0.000 0.000 0.270 170 L C -0.506 176.391 176.870 0.046 0.000 0.983 170 L CA -0.306 54.544 54.840 0.018 0.000 0.822 170 L CB 2.070 44.090 42.059 -0.065 0.000 1.285 170 L HN 0.863 nan 8.230 nan 0.000 0.409 171 M N 2.684 122.379 119.600 0.158 0.000 2.414 171 M HA 0.242 4.722 4.480 -0.000 0.000 0.357 171 M C 0.028 176.473 176.300 0.242 0.000 1.059 171 M CA -0.201 55.240 55.300 0.234 0.000 0.959 171 M CB 0.773 33.596 32.600 0.372 0.000 1.522 171 M HN 0.584 nan 8.290 nan 0.000 0.551 172 E N 2.410 122.711 120.200 0.168 0.000 2.708 172 E HA -0.184 4.166 4.350 -0.000 0.000 0.260 172 E C 0.057 176.701 176.600 0.074 0.000 0.937 172 E CA 0.934 57.414 56.400 0.134 0.000 0.953 172 E CB 0.271 30.036 29.700 0.110 0.000 0.915 172 E HN 0.358 nan 8.360 nan 0.000 0.487 173 E N 1.143 121.348 120.200 0.008 0.000 3.065 173 E HA -0.242 4.108 4.350 -0.000 0.000 0.277 173 E C -0.902 175.652 176.600 -0.077 0.000 1.008 173 E CA 0.661 57.017 56.400 -0.073 0.000 0.864 173 E CB -0.838 28.817 29.700 -0.075 0.000 1.439 173 E HN 0.388 nan 8.360 nan 0.000 0.445 174 S N 0.130 115.822 115.700 -0.014 0.000 2.586 174 S HA 0.364 4.834 4.470 -0.000 0.000 0.274 174 S C -0.058 174.315 174.600 -0.379 0.000 1.281 174 S CA -0.208 57.985 58.200 -0.012 0.000 1.035 174 S CB 1.539 64.944 63.200 0.341 0.000 0.962 174 S HN 0.337 nan 8.310 nan 0.000 0.512 175 S N 2.729 118.179 115.700 -0.417 0.000 2.451 175 S HA 0.846 5.316 4.470 -0.000 0.000 0.301 175 S C -0.557 173.575 174.600 -0.780 0.000 1.116 175 S CA -0.773 57.002 58.200 -0.709 0.000 1.093 175 S CB 0.133 63.078 63.200 -0.424 0.000 1.017 175 S HN 0.648 nan 8.310 nan 0.000 0.482 176 F N -1.095 118.526 119.950 -0.548 0.000 2.745 176 F HA 0.756 5.283 4.527 0.000 0.000 0.316 176 F C -0.629 174.930 175.800 -0.402 0.000 1.155 176 F CA -1.299 56.270 58.000 -0.717 0.000 0.937 176 F CB 1.017 39.319 39.000 -1.163 0.000 1.361 176 F HN 0.408 nan 8.300 nan 0.000 0.472 177 S N 0.474 116.218 115.700 0.072 0.000 2.438 177 S HA 0.211 4.681 4.470 -0.000 0.000 0.293 177 S C -0.693 173.988 174.600 0.135 0.000 1.141 177 S CA -0.588 57.657 58.200 0.075 0.000 1.080 177 S CB 0.877 64.088 63.200 0.018 0.000 0.978 177 S HN 0.617 nan 8.310 nan 0.000 0.479 178 E N 3.061 123.356 120.200 0.159 0.000 2.001 178 E HA 0.179 4.529 4.350 -0.000 0.000 0.279 178 E C 0.180 176.853 176.600 0.122 0.000 1.045 178 E CA -0.208 56.288 56.400 0.160 0.000 0.833 178 E CB 0.299 30.131 29.700 0.221 0.000 1.077 178 E HN 0.466 nan 8.360 nan 0.000 0.397 179 K N 2.686 123.151 120.400 0.108 0.000 2.284 179 K HA 0.057 4.377 4.320 -0.000 0.000 0.198 179 K C -0.256 176.400 176.600 0.094 0.000 1.048 179 K CA 0.882 57.221 56.287 0.086 0.000 0.987 179 K CB 0.292 32.834 32.500 0.070 0.000 0.800 179 K HN 0.571 nan 8.250 nan 0.000 0.486 180 D N -3.209 117.270 120.400 0.130 0.000 2.779 180 D HA 0.187 4.827 4.640 -0.000 0.000 0.331 180 D C 0.030 176.418 176.300 0.146 0.000 1.331 180 D CA -0.874 53.193 54.000 0.112 0.000 0.866 180 D CB 0.473 41.318 40.800 0.076 0.000 1.409 180 D HN -0.125 nan 8.370 nan 0.000 0.486 181 G N -1.326 107.499 108.800 0.042 0.000 3.453 181 G HA2 0.075 4.035 3.960 -0.000 0.000 0.263 181 G HA3 0.075 4.035 3.960 -0.000 0.000 0.263 181 G C 0.556 175.337 174.900 -0.199 0.000 1.060 181 G CA -0.335 44.708 45.100 -0.096 0.000 0.793 181 G HN 0.430 nan 8.290 nan 0.000 0.532 182 K N 0.546 120.929 120.400 -0.029 0.000 2.283 182 K HA -0.073 4.247 4.320 -0.000 0.000 0.202 182 K C 2.138 178.756 176.600 0.029 0.000 1.048 182 K CA 0.820 57.107 56.287 -0.000 0.000 0.948 182 K CB -0.255 32.270 32.500 0.042 0.000 0.742 182 K HN 0.587 nan 8.250 nan 0.000 0.458 183 W N 1.885 123.165 121.300 -0.034 0.000 2.333 183 W HA -0.152 4.508 4.660 -0.000 0.000 0.316 183 W C 1.460 177.942 176.519 -0.061 0.000 1.215 183 W CA 0.452 57.765 57.345 -0.053 0.000 1.278 183 W CB -1.114 28.286 29.460 -0.101 0.000 1.154 183 W HN -0.017 nan 8.180 nan 0.000 0.486 184 L N 0.643 121.102 121.223 -1.273 0.000 2.079 184 L HA -0.278 4.062 4.340 -0.000 0.000 0.210 184 L C 2.952 179.580 176.870 -0.402 0.000 1.081 184 L CA 2.548 56.753 54.840 -1.059 0.000 0.752 184 L CB -0.859 40.442 42.059 -1.264 0.000 0.896 184 L HN 0.118 nan 8.230 nan 0.000 0.433 185 H N -0.580 118.275 119.070 -0.357 0.000 2.428 185 H HA -0.210 4.346 4.556 -0.000 0.000 0.296 185 H C 2.088 177.358 175.328 -0.097 0.000 1.062 185 H CA 1.773 57.707 56.048 -0.190 0.000 1.350 185 H CB 0.282 29.955 29.762 -0.148 0.000 1.403 185 H HN 0.266 nan 8.280 nan 0.000 0.533 186 E N 0.251 120.456 120.200 0.008 0.000 2.106 186 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 186 E C 2.149 178.775 176.600 0.042 0.000 0.984 186 E CA 1.075 57.515 56.400 0.067 0.000 0.806 186 E CB -0.324 29.443 29.700 0.112 0.000 0.750 186 E HN 0.568 nan 8.360 nan 0.000 0.458 187 L N -0.104 121.118 121.223 -0.001 0.000 1.994 187 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 187 L C 2.529 179.362 176.870 -0.060 0.000 1.071 187 L CA 1.145 55.989 54.840 0.007 0.000 0.745 187 L CB -0.669 41.404 42.059 0.022 0.000 0.892 187 L HN 0.254 nan 8.230 nan 0.000 0.431 188 A N -0.710 122.020 122.820 -0.150 0.000 1.958 188 A HA -0.300 4.020 4.320 -0.000 0.000 0.221 188 A C 2.183 179.620 177.584 -0.244 0.000 1.178 188 A CA 1.940 53.858 52.037 -0.198 0.000 0.642 188 A CB -0.493 18.344 19.000 -0.272 0.000 0.816 188 A HN 0.534 nan 8.150 nan 0.000 0.453 189 Q N -2.462 117.149 119.800 -0.315 0.000 2.269 189 Q HA -0.033 4.307 4.340 -0.000 0.000 0.201 189 Q C 1.055 176.716 176.000 -0.565 0.000 0.946 189 Q CA 1.065 56.593 55.803 -0.458 0.000 0.877 189 Q CB 0.125 28.549 28.738 -0.522 0.000 0.963 189 Q HN 0.884 nan 8.270 nan 0.000 0.472 190 H N -2.331 116.689 119.070 -0.083 0.000 3.622 190 H HA 0.172 4.728 4.556 -0.000 0.000 0.259 190 H C -0.252 175.056 175.328 -0.034 0.000 1.145 190 H CA -0.179 55.839 56.048 -0.050 0.000 1.178 190 H CB 0.630 30.367 29.762 -0.041 0.000 1.542 190 H HN 0.077 nan 8.280 nan 0.000 0.586 191 N N 0.594 119.334 118.700 0.066 0.000 2.479 191 N HA 0.087 4.827 4.740 -0.000 0.000 0.285 191 N C 0.557 176.079 175.510 0.021 0.000 1.075 191 N CA 0.237 53.316 53.050 0.048 0.000 0.967 191 N CB 1.600 40.116 38.487 0.049 0.000 1.137 191 N HN -0.108 nan 8.380 nan 0.000 0.472 192 T N -0.348 114.219 114.554 0.022 0.000 2.969 192 T HA 0.053 4.403 4.350 -0.000 0.000 0.258 192 T C 1.033 175.740 174.700 0.012 0.000 0.962 192 T CA 0.228 62.335 62.100 0.010 0.000 0.903 192 T CB 0.087 68.960 68.868 0.008 0.000 1.177 192 T HN 0.634 nan 8.240 nan 0.000 0.511 193 S N 0.494 116.205 115.700 0.018 0.000 2.524 193 S HA 0.319 4.789 4.470 -0.000 0.000 0.215 193 S C 0.474 175.086 174.600 0.020 0.000 0.986 193 S CA -0.447 57.762 58.200 0.015 0.000 0.911 193 S CB -0.148 63.060 63.200 0.014 0.000 0.805 193 S HN 0.188 nan 8.310 nan 0.000 0.501 194 L N 3.043 124.284 121.223 0.030 0.000 2.640 194 L HA 0.092 4.432 4.340 -0.000 0.000 0.280 194 L C 1.042 177.932 176.870 0.035 0.000 1.229 194 L CA 0.921 55.785 54.840 0.040 0.000 0.919 194 L CB -0.087 42.008 42.059 0.060 0.000 1.168 194 L HN 0.284 nan 8.230 nan 0.000 0.496 195 E N 2.586 122.803 120.200 0.028 0.000 2.306 195 E HA 0.155 4.505 4.350 -0.000 0.000 0.201 195 E C -0.551 176.064 176.600 0.026 0.000 0.874 195 E CA 0.250 56.663 56.400 0.021 0.000 0.972 195 E CB 0.925 30.629 29.700 0.007 0.000 0.957 195 E HN 0.427 nan 8.360 nan 0.000 0.492 196 V N 1.085 121.012 119.914 0.023 0.000 2.686 196 V HA 0.579 4.699 4.120 -0.000 0.000 0.306 196 V C -1.997 174.116 176.094 0.032 0.000 1.065 196 V CA -0.947 61.364 62.300 0.018 0.000 0.894 196 V CB 1.934 33.752 31.823 -0.008 0.000 1.004 196 V HN 0.049 nan 8.190 nan 0.000 0.424 197 L N 5.559 126.804 121.223 0.037 0.000 2.406 197 L HA 0.752 5.092 4.340 -0.000 0.000 0.272 197 L C -1.118 175.746 176.870 -0.011 0.000 0.980 197 L CA -0.034 54.853 54.840 0.079 0.000 0.831 197 L CB 1.841 43.980 42.059 0.132 0.000 1.253 197 L HN 0.905 nan 8.230 nan 0.000 0.406 198 N N 4.893 123.621 118.700 0.047 0.000 2.558 198 N HA 0.337 5.077 4.740 -0.000 0.000 0.285 198 N C -1.482 174.119 175.510 0.152 0.000 1.112 198 N CA -0.394 52.635 53.050 -0.035 0.000 0.857 198 N CB 0.776 39.250 38.487 -0.022 0.000 1.376 198 N HN 0.492 nan 8.380 nan 0.000 0.526 199 F N 2.882 122.923 119.950 0.152 0.000 2.831 199 F HA 0.370 4.897 4.527 -0.000 0.000 0.355 199 F C 0.816 176.747 175.800 0.218 0.000 1.341 199 F CA -0.936 57.212 58.000 0.247 0.000 1.201 199 F CB -0.287 38.974 39.000 0.435 0.000 1.058 199 F HN 0.228 nan 8.300 nan 0.000 0.514 200 Y N 2.106 122.394 120.300 -0.020 0.000 2.097 200 Y HA -0.109 4.441 4.550 -0.000 0.000 0.282 200 Y C 1.393 177.238 175.900 -0.091 0.000 1.152 200 Y CA 1.680 59.708 58.100 -0.120 0.000 1.136 200 Y CB 0.062 38.447 38.460 -0.124 0.000 0.975 200 Y HN 0.418 nan 8.280 nan 0.000 0.498 201 M N 1.759 121.273 119.600 -0.142 0.000 3.157 201 M HA 0.270 4.750 4.480 -0.000 0.000 0.213 201 M C -1.012 175.177 176.300 -0.184 0.000 1.177 201 M CA -0.143 54.940 55.300 -0.361 0.000 1.109 201 M CB -0.308 32.040 32.600 -0.420 0.000 1.262 201 M HN 0.183 nan 8.290 nan 0.000 0.570 202 T N -1.300 113.207 114.554 -0.078 0.000 2.933 202 T HA 0.536 4.886 4.350 -0.000 0.000 0.305 202 T C -0.793 173.844 174.700 -0.106 0.000 1.092 202 T CA -0.924 61.119 62.100 -0.096 0.000 1.008 202 T CB 1.414 70.343 68.868 0.102 0.000 1.102 202 T HN 0.392 nan 8.240 nan 0.000 0.469 203 E N 2.752 122.790 120.200 -0.270 0.000 1.932 203 E HA 0.256 4.605 4.350 -0.000 0.000 0.275 203 E C -1.218 175.243 176.600 -0.233 0.000 1.159 203 E CA -0.149 56.133 56.400 -0.197 0.000 0.905 203 E CB -0.130 29.438 29.700 -0.221 0.000 1.059 203 E HN 0.549 nan 8.360 nan 0.000 0.400 204 F N 0.806 120.795 119.950 0.066 0.000 2.427 204 F HA 0.380 4.907 4.527 0.000 0.000 0.348 204 F C 0.837 176.639 175.800 0.003 0.000 1.125 204 F CA -0.745 57.290 58.000 0.059 0.000 0.989 204 F CB 1.918 40.910 39.000 -0.013 0.000 1.165 204 F HN 0.481 nan 8.300 nan 0.000 0.442 205 A N 2.839 125.788 122.820 0.215 0.000 2.343 205 A HA 0.219 4.539 4.320 -0.000 0.000 0.223 205 A C 1.193 178.862 177.584 0.142 0.000 1.214 205 A CA 0.048 52.169 52.037 0.140 0.000 0.900 205 A CB -0.011 19.043 19.000 0.091 0.000 0.942 205 A HN 0.709 nan 8.150 nan 0.000 0.507 206 K N 0.453 120.954 120.400 0.170 0.000 2.413 206 K HA 0.311 4.631 4.320 -0.000 0.000 0.204 206 K C 0.009 176.644 176.600 0.058 0.000 1.041 206 K CA -0.083 56.271 56.287 0.112 0.000 1.082 206 K CB 0.381 32.947 32.500 0.111 0.000 0.871 206 K HN 0.679 nan 8.250 nan 0.000 0.535 207 I N -1.725 118.876 120.570 0.051 0.000 2.566 207 I HA 0.342 4.512 4.170 -0.000 0.000 0.303 207 I C -0.065 176.120 176.117 0.113 0.000 0.983 207 I CA -0.781 60.480 61.300 -0.066 0.000 1.235 207 I CB 1.786 39.609 38.000 -0.295 0.000 1.386 207 I HN -0.218 nan 8.210 nan 0.000 0.494 208 S N 5.537 121.248 115.700 0.017 0.000 2.429 208 S HA 0.444 4.914 4.470 -0.000 0.000 0.302 208 S C -1.284 173.244 174.600 -0.119 0.000 1.115 208 S CA -1.626 56.574 58.200 -0.001 0.000 1.095 208 S CB 1.025 64.203 63.200 -0.037 0.000 0.987 208 S HN 0.634 nan 8.310 nan 0.000 0.474 209 P HA -0.139 nan 4.420 nan 0.000 0.219 209 P C 0.976 178.077 177.300 -0.331 0.000 1.146 209 P CA 0.937 63.605 63.100 -0.720 0.000 0.808 209 P CB 0.144 31.329 31.700 -0.857 0.000 0.779 210 K N 0.365 120.650 120.400 -0.191 0.000 2.032 210 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 210 K C 1.779 178.325 176.600 -0.089 0.000 1.048 210 K CA 1.228 57.449 56.287 -0.110 0.000 0.927 210 K CB -1.157 31.305 32.500 -0.064 0.000 0.712 210 K HN 0.204 nan 8.250 nan 0.000 0.441 211 D N 0.826 121.173 120.400 -0.088 0.000 2.149 211 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 211 D C 1.965 178.211 176.300 -0.089 0.000 0.990 211 D CA 0.659 54.603 54.000 -0.093 0.000 0.839 211 D CB -0.059 40.675 40.800 -0.110 0.000 0.948 211 D HN 0.014 nan 8.370 nan 0.000 0.460 212 L N 1.322 122.490 121.223 -0.093 0.000 2.027 212 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 212 L C 2.207 179.133 176.870 0.092 0.000 1.074 212 L CA 1.733 56.543 54.840 -0.049 0.000 0.745 212 L CB -0.537 41.417 42.059 -0.175 0.000 0.898 212 L HN -0.038 nan 8.230 nan 0.000 0.433 213 E N -1.302 118.934 120.200 0.060 0.000 2.058 213 E HA -0.301 4.049 4.350 -0.000 0.000 0.194 213 E C 2.077 178.712 176.600 0.059 0.000 0.997 213 E CA 1.857 58.338 56.400 0.135 0.000 0.801 213 E CB -0.253 29.460 29.700 0.023 0.000 0.746 213 E HN 0.587 nan 8.360 nan 0.000 0.450 214 T N -0.295 114.256 114.554 -0.005 0.000 2.915 214 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 214 T C 1.911 176.597 174.700 -0.024 0.000 1.071 214 T CA 1.216 63.295 62.100 -0.036 0.000 1.132 214 T CB -0.317 68.505 68.868 -0.077 0.000 0.878 214 T HN 0.240 nan 8.240 nan 0.000 0.479 215 I N 1.262 121.837 120.570 0.007 0.000 2.252 215 I HA -0.064 4.106 4.170 -0.000 0.000 0.245 215 I C 3.088 179.239 176.117 0.057 0.000 1.102 215 I CA 1.145 62.463 61.300 0.030 0.000 1.385 215 I CB -0.582 37.455 38.000 0.061 0.000 1.064 215 I HN 0.362 nan 8.210 nan 0.000 0.414 216 A N 0.638 123.519 122.820 0.102 0.000 1.933 216 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 216 A C 2.377 179.936 177.584 -0.042 0.000 1.175 216 A CA 1.597 53.644 52.037 0.017 0.000 0.628 216 A CB -0.560 18.361 19.000 -0.131 0.000 0.814 216 A HN 0.307 nan 8.150 nan 0.000 0.444 217 R N -0.447 120.032 120.500 -0.034 0.000 2.148 217 R HA -0.045 4.295 4.340 -0.000 0.000 0.227 217 R C 1.245 177.521 176.300 -0.040 0.000 1.103 217 R CA 1.487 57.559 56.100 -0.047 0.000 0.983 217 R CB -0.068 30.205 30.300 -0.046 0.000 0.874 217 R HN 0.493 nan 8.270 nan 0.000 0.451 218 N N -1.318 117.363 118.700 -0.031 0.000 2.356 218 N HA 0.034 4.774 4.740 -0.000 0.000 0.178 218 N C -0.621 174.879 175.510 -0.017 0.000 1.075 218 N CA 0.350 53.382 53.050 -0.029 0.000 0.889 218 N CB 0.605 39.070 38.487 -0.037 0.000 0.999 218 N HN 0.073 nan 8.380 nan 0.000 0.464 219 C N 1.821 121.117 119.300 -0.008 0.000 2.242 219 C HA 0.375 4.835 4.460 -0.000 0.000 0.317 219 C C 1.591 176.578 174.990 -0.005 0.000 1.087 219 C CA -0.772 58.248 59.018 0.003 0.000 1.535 219 C CB -0.001 27.753 27.740 0.023 0.000 1.893 219 C HN 0.183 nan 8.230 nan 0.000 0.426 220 R N 1.019 121.512 120.500 -0.011 0.000 2.189 220 R HA -0.033 4.307 4.340 -0.000 0.000 0.223 220 R C 1.720 178.012 176.300 -0.013 0.000 1.092 220 R CA 0.970 57.059 56.100 -0.017 0.000 0.989 220 R CB -0.117 30.172 30.300 -0.018 0.000 0.876 220 R HN 0.595 nan 8.270 nan 0.000 0.457 221 S N 0.000 115.697 115.700 -0.004 0.000 2.582 221 S HA 0.163 4.633 4.470 -0.000 0.000 0.234 221 S C -0.121 174.484 174.600 0.007 0.000 0.961 221 S CA -0.546 57.653 58.200 -0.001 0.000 0.953 221 S CB 0.076 63.275 63.200 -0.001 0.000 0.800 221 S HN 0.070 nan 8.310 nan 0.000 0.471 222 L N 2.714 123.944 121.223 0.013 0.000 2.597 222 L HA 0.131 4.471 4.340 -0.000 0.000 0.271 222 L C 0.710 177.600 176.870 0.033 0.000 1.157 222 L CA 0.654 55.514 54.840 0.035 0.000 0.928 222 L CB 0.273 42.363 42.059 0.051 0.000 1.216 222 L HN 0.037 nan 8.230 nan 0.000 0.481 223 V N 2.443 122.379 119.914 0.038 0.000 3.307 223 V HA 0.253 4.373 4.120 -0.000 0.000 0.244 223 V C 0.653 176.778 176.094 0.051 0.000 1.196 223 V CA 0.680 62.999 62.300 0.032 0.000 1.132 223 V CB 0.593 32.424 31.823 0.013 0.000 0.875 223 V HN 0.766 nan 8.190 nan 0.000 0.468 224 S N 0.564 116.294 115.700 0.051 0.000 2.614 224 S HA 0.666 5.136 4.470 -0.000 0.000 0.288 224 S C -1.269 173.353 174.600 0.038 0.000 1.137 224 S CA -0.359 57.865 58.200 0.040 0.000 0.992 224 S CB 1.639 64.832 63.200 -0.012 0.000 1.026 224 S HN 0.450 nan 8.310 nan 0.000 0.486 225 V N 4.205 124.147 119.914 0.047 0.000 2.686 225 V HA 0.770 4.890 4.120 -0.000 0.000 0.306 225 V C -1.531 174.357 176.094 -0.343 0.000 1.065 225 V CA -0.626 61.634 62.300 -0.067 0.000 0.894 225 V CB 1.735 33.603 31.823 0.074 0.000 1.004 225 V HN 0.895 nan 8.190 nan 0.000 0.424 226 K N 4.178 124.291 120.400 -0.478 0.000 2.375 226 K HA 0.915 5.235 4.320 -0.000 0.000 0.249 226 K C -1.530 174.644 176.600 -0.711 0.000 0.942 226 K CA -0.819 55.087 56.287 -0.635 0.000 0.806 226 K CB 2.706 34.901 32.500 -0.508 0.000 1.227 226 K HN 0.614 nan 8.250 nan 0.000 0.430 227 V N 0.330 119.916 119.914 -0.546 0.000 3.232 227 V HA 0.437 4.557 4.120 -0.000 0.000 0.303 227 V C 0.227 176.262 176.094 -0.098 0.000 1.311 227 V CA -0.600 61.351 62.300 -0.581 0.000 1.061 227 V CB 2.314 33.896 31.823 -0.403 0.000 1.085 227 V HN 0.998 nan 8.190 nan 0.000 0.447 228 G N -0.236 108.604 108.800 0.067 0.000 2.735 228 G HA2 0.172 4.132 3.960 -0.000 0.000 0.192 228 G HA3 0.172 4.132 3.960 -0.000 0.000 0.192 228 G C -0.161 174.746 174.900 0.012 0.000 1.547 228 G CA 0.040 45.178 45.100 0.063 0.000 1.080 228 G HN 0.664 nan 8.290 nan 0.000 0.569 229 D N 0.470 120.880 120.400 0.016 0.000 2.870 229 D HA 0.182 4.822 4.640 -0.000 0.000 0.241 229 D C -0.077 176.334 176.300 0.184 0.000 1.234 229 D CA -0.081 53.996 54.000 0.128 0.000 0.844 229 D CB -0.536 40.350 40.800 0.144 0.000 1.051 229 D HN 0.136 nan 8.370 nan 0.000 0.469 230 F N 1.278 121.346 119.950 0.196 0.000 2.578 230 F HA -0.051 4.476 4.527 -0.000 0.000 0.376 230 F C 1.618 177.522 175.800 0.173 0.000 1.085 230 F CA -0.310 57.787 58.000 0.161 0.000 1.260 230 F CB 0.692 39.773 39.000 0.136 0.000 1.095 230 F HN -0.184 nan 8.300 nan 0.000 0.573 231 E N 3.779 124.199 120.200 0.367 0.000 2.415 231 E HA -0.048 4.302 4.350 -0.000 0.000 0.260 231 E C 0.946 177.705 176.600 0.264 0.000 1.016 231 E CA 0.161 56.726 56.400 0.276 0.000 0.924 231 E CB 0.625 30.446 29.700 0.202 0.000 0.961 231 E HN 0.540 nan 8.360 nan 0.000 0.459 232 I N 4.782 125.527 120.570 0.292 0.000 2.248 232 I HA -0.334 3.836 4.170 -0.000 0.000 0.248 232 I C 2.177 178.447 176.117 0.255 0.000 1.107 232 I CA 0.988 62.452 61.300 0.273 0.000 1.373 232 I CB -0.139 37.972 38.000 0.186 0.000 1.055 232 I HN 0.598 nan 8.210 nan 0.000 0.418 233 L N -0.218 121.188 121.223 0.305 0.000 2.127 233 L HA -0.253 4.087 4.340 -0.000 0.000 0.211 233 L C 2.208 179.133 176.870 0.091 0.000 1.089 233 L CA 1.424 56.385 54.840 0.202 0.000 0.757 233 L CB -0.534 41.614 42.059 0.148 0.000 0.899 233 L HN 0.326 nan 8.230 nan 0.000 0.434 234 E N -0.322 119.915 120.200 0.060 0.000 2.478 234 E HA -0.113 4.237 4.350 -0.000 0.000 0.198 234 E C 1.649 178.185 176.600 -0.106 0.000 1.046 234 E CA 0.450 56.828 56.400 -0.036 0.000 0.870 234 E CB 0.141 29.798 29.700 -0.072 0.000 0.818 234 E HN 0.527 nan 8.360 nan 0.000 0.527 235 L N 0.158 121.339 121.223 -0.069 0.000 2.667 235 L HA 0.061 4.401 4.340 -0.000 0.000 0.232 235 L C 1.729 178.555 176.870 -0.073 0.000 1.138 235 L CA -0.226 54.509 54.840 -0.174 0.000 0.921 235 L CB 0.478 42.337 42.059 -0.333 0.000 1.180 235 L HN 0.005 nan 8.230 nan 0.000 0.487 236 V N 0.640 120.579 119.914 0.041 0.000 2.343 236 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 236 V C 2.577 178.696 176.094 0.042 0.000 1.051 236 V CA 2.303 64.659 62.300 0.093 0.000 1.036 236 V CB -0.808 31.041 31.823 0.043 0.000 0.654 236 V HN 0.612 nan 8.190 nan 0.000 0.451 237 G N -0.790 108.009 108.800 -0.002 0.000 2.421 237 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.216 237 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.216 237 G C 1.549 176.432 174.900 -0.029 0.000 1.171 237 G CA 1.070 46.159 45.100 -0.019 0.000 0.775 237 G HN 0.495 nan 8.290 nan 0.000 0.543 238 F N 1.079 120.912 119.950 -0.195 0.000 2.065 238 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 238 F C 2.359 178.037 175.800 -0.202 0.000 1.112 238 F CA 1.694 59.545 58.000 -0.249 0.000 1.212 238 F CB -0.459 38.300 39.000 -0.401 0.000 0.975 238 F HN 0.149 nan 8.300 nan 0.000 0.476 239 F N 0.629 120.480 119.950 -0.164 0.000 2.171 239 F HA -0.174 4.353 4.527 0.000 0.000 0.300 239 F C 2.386 178.010 175.800 -0.294 0.000 1.090 239 F CA 1.439 59.254 58.000 -0.309 0.000 1.293 239 F CB -0.491 38.386 39.000 -0.204 0.000 1.013 239 F HN -0.101 nan 8.300 nan 0.000 0.486 240 K N 0.109 120.488 120.400 -0.034 0.000 2.097 240 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 240 K C 2.219 178.747 176.600 -0.120 0.000 1.049 240 K CA 1.181 57.426 56.287 -0.071 0.000 0.933 240 K CB -0.344 32.123 32.500 -0.054 0.000 0.717 240 K HN 0.229 nan 8.250 nan 0.000 0.442 241 A N 1.122 123.837 122.820 -0.175 0.000 2.016 241 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 241 A C 1.628 179.074 177.584 -0.229 0.000 1.162 241 A CA 0.903 52.835 52.037 -0.176 0.000 0.662 241 A CB -0.087 18.825 19.000 -0.147 0.000 0.812 241 A HN 0.243 nan 8.150 nan 0.000 0.450 242 A N 0.198 122.787 122.820 -0.384 0.000 3.074 242 A HA 0.554 4.874 4.320 -0.000 0.000 0.251 242 A C 1.606 179.080 177.584 -0.183 0.000 1.695 242 A CA 0.629 52.449 52.037 -0.362 0.000 1.343 242 A CB -1.078 17.515 19.000 -0.679 0.000 1.078 242 A HN 0.876 nan 8.150 nan 0.000 0.644 243 A N 1.206 123.948 122.820 -0.129 0.000 1.927 243 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 243 A C 1.685 179.230 177.584 -0.065 0.000 1.185 243 A CA 1.962 53.947 52.037 -0.086 0.000 0.639 243 A CB -0.350 18.608 19.000 -0.070 0.000 0.820 243 A HN 0.599 nan 8.150 nan 0.000 0.451 244 N N -0.666 118.002 118.700 -0.054 0.000 2.322 244 N HA 0.127 4.867 4.740 -0.000 0.000 0.194 244 N C -0.172 175.328 175.510 -0.016 0.000 1.126 244 N CA -0.144 52.887 53.050 -0.033 0.000 0.845 244 N CB -0.286 38.187 38.487 -0.024 0.000 0.976 244 N HN 0.363 nan 8.380 nan 0.000 0.475 245 L N 1.526 122.740 121.223 -0.015 0.000 2.559 245 L HA -0.037 4.303 4.340 -0.000 0.000 0.274 245 L C 1.170 178.061 176.870 0.035 0.000 1.205 245 L CA 0.883 55.746 54.840 0.038 0.000 0.907 245 L CB 0.431 42.542 42.059 0.085 0.000 1.153 245 L HN 0.160 nan 8.230 nan 0.000 0.490 246 E N 2.400 122.627 120.200 0.045 0.000 2.434 246 E HA 0.109 4.459 4.350 -0.000 0.000 0.207 246 E C -0.184 176.445 176.600 0.049 0.000 0.929 246 E CA 0.052 56.469 56.400 0.028 0.000 1.001 246 E CB 0.785 30.492 29.700 0.013 0.000 1.016 246 E HN 0.646 nan 8.360 nan 0.000 0.502 247 E N 0.492 120.741 120.200 0.082 0.000 2.256 247 E HA 0.414 4.764 4.350 -0.000 0.000 0.268 247 E C -1.849 174.868 176.600 0.195 0.000 0.877 247 E CA -0.629 55.819 56.400 0.080 0.000 0.757 247 E CB 1.536 31.238 29.700 0.004 0.000 1.183 247 E HN -0.061 nan 8.360 nan 0.000 0.418 248 F N 4.591 124.562 119.950 0.035 0.000 2.588 248 F HA 0.551 5.078 4.527 -0.000 0.000 0.318 248 F C -1.685 174.110 175.800 -0.008 0.000 1.155 248 F CA -0.488 57.566 58.000 0.090 0.000 0.967 248 F CB 1.046 40.240 39.000 0.323 0.000 1.236 248 F HN 0.588 nan 8.300 nan 0.000 0.455 249 C N 4.135 122.973 119.300 -0.771 0.000 2.634 249 C HA 1.010 5.470 4.460 -0.000 0.000 0.313 249 C C 0.563 175.099 174.990 -0.757 0.000 1.198 249 C CA 0.046 58.685 59.018 -0.631 0.000 1.605 249 C CB 0.715 27.886 27.740 -0.948 0.000 2.196 249 C HN 1.383 nan 8.230 nan 0.000 0.486 250 G N 1.194 109.937 108.800 -0.094 0.000 2.460 250 G HA2 0.484 4.444 3.960 -0.000 0.000 0.207 250 G HA3 0.484 4.444 3.960 -0.000 0.000 0.207 250 G C 0.189 175.268 174.900 0.298 0.000 1.170 250 G CA 0.236 45.405 45.100 0.116 0.000 1.151 250 G HN 2.666 nan 8.290 nan 0.000 0.575 251 G N -1.301 107.692 108.800 0.321 0.000 2.894 251 G HA2 0.326 4.286 3.960 -0.000 0.000 0.247 251 G HA3 0.326 4.286 3.960 -0.000 0.000 0.247 251 G C 0.191 175.301 174.900 0.350 0.000 1.442 251 G CA 1.049 46.413 45.100 0.440 0.000 0.897 251 G HN 2.252 nan 8.290 nan 0.000 0.550 252 S N -0.946 114.972 115.700 0.363 0.000 2.561 252 S HA 0.645 5.115 4.470 -0.000 0.000 0.303 252 S C -0.123 174.652 174.600 0.292 0.000 1.110 252 S CA -0.699 57.737 58.200 0.394 0.000 1.034 252 S CB 0.810 64.209 63.200 0.331 0.000 1.010 252 S HN 0.777 nan 8.310 nan 0.000 0.482 253 L N 5.554 126.935 121.223 0.264 0.000 2.272 253 L HA 0.467 4.806 4.340 -0.000 0.000 0.284 253 L C -0.286 176.725 176.870 0.234 0.000 1.045 253 L CA -0.480 54.429 54.840 0.114 0.000 0.842 253 L CB 0.552 42.578 42.059 -0.055 0.000 1.224 253 L HN 0.582 nan 8.230 nan 0.000 0.430 254 N N 4.234 123.125 118.700 0.319 0.000 2.546 254 N HA 0.142 4.882 4.740 -0.000 0.000 0.238 254 N C -0.447 175.209 175.510 0.243 0.000 0.984 254 N CA -0.422 52.758 53.050 0.217 0.000 0.935 254 N CB 1.540 40.109 38.487 0.137 0.000 1.122 254 N HN 0.607 nan 8.380 nan 0.000 0.510 255 E N 1.233 121.556 120.200 0.204 0.000 2.331 255 E HA 0.174 4.524 4.350 -0.000 0.000 0.272 255 E C -0.889 175.748 176.600 0.061 0.000 1.036 255 E CA -0.600 55.887 56.400 0.144 0.000 0.864 255 E CB 0.914 30.700 29.700 0.143 0.000 1.035 255 E HN 0.409 nan 8.360 nan 0.000 0.408 256 D N 3.985 124.395 120.400 0.018 0.000 2.619 256 D HA 0.120 4.760 4.640 -0.000 0.000 0.241 256 D C 1.028 177.327 176.300 -0.002 0.000 1.087 256 D CA -0.755 53.248 54.000 0.005 0.000 0.851 256 D CB 1.242 42.037 40.800 -0.008 0.000 1.474 256 D HN 0.349 nan 8.370 nan 0.000 0.478 257 I N 1.701 122.273 120.570 0.004 0.000 2.335 257 I HA -0.162 4.008 4.170 -0.000 0.000 0.251 257 I C 2.520 178.633 176.117 -0.007 0.000 1.129 257 I CA 1.273 62.575 61.300 0.003 0.000 1.402 257 I CB -1.734 36.269 38.000 0.006 0.000 1.069 257 I HN 0.722 nan 8.210 nan 0.000 0.424 258 G N 1.840 110.633 108.800 -0.012 0.000 2.553 258 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 258 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 258 G C 0.990 175.873 174.900 -0.028 0.000 1.195 258 G CA 0.456 45.545 45.100 -0.019 0.000 0.779 258 G HN 0.362 nan 8.290 nan 0.000 0.577 259 M N 2.202 121.775 119.600 -0.044 0.000 2.080 259 M HA 0.218 4.698 4.480 -0.000 0.000 0.350 259 M C -1.598 174.671 176.300 -0.052 0.000 1.143 259 M CA -1.723 53.540 55.300 -0.061 0.000 1.064 259 M CB 2.219 34.757 32.600 -0.104 0.000 1.429 259 M HN 0.027 nan 8.290 nan 0.000 0.418 260 P HA -0.106 nan 4.420 nan 0.000 0.219 260 P C 0.147 177.442 177.300 -0.010 0.000 1.150 260 P CA 1.302 64.396 63.100 -0.010 0.000 0.814 260 P CB 0.308 32.006 31.700 -0.003 0.000 0.787 261 E N -0.250 119.933 120.200 -0.028 0.000 2.830 261 E HA 0.096 4.446 4.350 -0.000 0.000 0.225 261 E C 1.380 177.932 176.600 -0.080 0.000 1.109 261 E CA -0.295 56.091 56.400 -0.023 0.000 1.392 261 E CB 0.170 29.864 29.700 -0.011 0.000 1.349 261 E HN 0.125 nan 8.360 nan 0.000 0.433 262 K N 0.109 120.411 120.400 -0.164 0.000 2.059 262 K HA -0.228 4.092 4.320 -0.000 0.000 0.212 262 K C 0.556 176.866 176.600 -0.483 0.000 1.050 262 K CA 1.715 57.768 56.287 -0.390 0.000 0.927 262 K CB 0.108 32.238 32.500 -0.616 0.000 0.714 262 K HN 0.216 nan 8.250 nan 0.000 0.447 263 Y N -1.404 118.896 120.300 -0.000 0.000 2.926 263 Y HA 0.009 4.559 4.550 -0.000 0.000 0.207 263 Y C 1.658 177.542 175.900 -0.026 0.000 0.927 263 Y CA -0.067 58.026 58.100 -0.013 0.000 1.055 263 Y CB -0.007 38.454 38.460 0.001 0.000 1.056 263 Y HN -0.163 nan 8.280 nan 0.000 0.462 264 M N -1.290 118.410 119.600 0.166 0.000 2.806 264 M HA -0.336 4.144 4.480 -0.000 0.000 0.148 264 M C -0.365 175.956 176.300 0.035 0.000 0.696 264 M CA 1.285 56.628 55.300 0.072 0.000 0.564 264 M CB -2.015 30.613 32.600 0.046 0.000 2.074 264 M HN 0.479 nan 8.290 nan 0.000 0.263 265 N N 0.194 118.907 118.700 0.022 0.000 2.467 265 N HA 0.352 5.092 4.740 -0.000 0.000 0.278 265 N C -0.847 174.625 175.510 -0.063 0.000 1.306 265 N CA -0.135 52.905 53.050 -0.016 0.000 0.905 265 N CB 0.459 38.936 38.487 -0.017 0.000 1.236 265 N HN 0.160 nan 8.380 nan 0.000 0.509 266 L N 1.739 122.891 121.223 -0.119 0.000 2.313 266 L HA 0.275 4.615 4.340 -0.000 0.000 0.282 266 L C 0.395 177.030 176.870 -0.390 0.000 1.092 266 L CA -0.580 54.054 54.840 -0.343 0.000 0.831 266 L CB 0.651 42.319 42.059 -0.651 0.000 1.159 266 L HN 0.019 nan 8.230 nan 0.000 0.442 267 V N 1.869 121.572 119.914 -0.352 0.000 2.352 267 V HA 0.299 4.419 4.120 -0.000 0.000 0.253 267 V C 0.084 175.903 176.094 -0.458 0.000 1.083 267 V CA -0.499 61.634 62.300 -0.279 0.000 0.993 267 V CB -0.925 30.810 31.823 -0.146 0.000 1.111 267 V HN 0.368 nan 8.190 nan 0.000 0.490 268 F N 5.265 125.010 119.950 -0.342 0.000 2.396 268 F HA 0.538 5.065 4.527 -0.000 0.000 0.343 268 F C -1.501 174.049 175.800 -0.417 0.000 1.104 268 F CA -2.256 55.423 58.000 -0.535 0.000 1.161 268 F CB 1.170 39.784 39.000 -0.644 0.000 1.146 268 F HN 0.364 nan 8.300 nan 0.000 0.522 269 P HA -0.005 nan 4.420 nan 0.000 0.265 269 P C -0.914 176.275 177.300 -0.185 0.000 1.187 269 P CA -0.054 62.986 63.100 -0.101 0.000 0.766 269 P CB 0.357 32.036 31.700 -0.035 0.000 0.820 270 R N 3.591 124.000 120.500 -0.152 0.000 2.878 270 R HA 0.215 4.555 4.340 -0.000 0.000 0.239 270 R C 0.568 176.796 176.300 -0.120 0.000 1.515 270 R CA 0.054 56.059 56.100 -0.159 0.000 1.210 270 R CB -0.142 30.098 30.300 -0.100 0.000 1.209 270 R HN 0.540 nan 8.270 nan 0.000 0.610 271 K N 0.104 120.419 120.400 -0.142 0.000 1.130 271 K HA 0.018 4.338 4.320 -0.000 0.000 0.075 271 K C -0.056 176.503 176.600 -0.069 0.000 2.356 271 K CA -0.174 56.068 56.287 -0.075 0.000 0.970 271 K CB 0.117 32.587 32.500 -0.051 0.000 2.609 271 K HN 0.286 nan 8.250 nan 0.000 0.319 272 L N 2.790 123.936 121.223 -0.127 0.000 2.667 272 L HA -0.101 4.239 4.340 -0.000 0.000 0.278 272 L C 0.823 177.685 176.870 -0.013 0.000 1.217 272 L CA 1.245 56.027 54.840 -0.096 0.000 0.935 272 L CB 0.286 42.200 42.059 -0.242 0.000 1.193 272 L HN 0.725 nan 8.230 nan 0.000 0.493 273 C N 1.774 121.097 119.300 0.038 0.000 4.150 273 C HA 0.407 4.866 4.460 -0.000 0.000 0.330 273 C C 0.391 175.406 174.990 0.042 0.000 1.905 273 C CA -0.835 58.224 59.018 0.068 0.000 1.724 273 C CB -0.185 27.582 27.740 0.045 0.000 3.096 273 C HN 0.837 nan 8.230 nan 0.000 0.601 274 R N 1.738 122.256 120.500 0.030 0.000 2.500 274 R HA 0.800 5.140 4.340 -0.000 0.000 0.299 274 R C -1.014 175.291 176.300 0.009 0.000 1.038 274 R CA -0.008 56.095 56.100 0.006 0.000 0.903 274 R CB 1.546 31.841 30.300 -0.008 0.000 1.177 274 R HN 0.704 nan 8.270 nan 0.000 0.455 275 L N -1.123 120.097 121.223 -0.004 0.000 2.671 275 L HA 1.012 5.352 4.340 -0.000 0.000 0.259 275 L C -1.290 175.576 176.870 -0.007 0.000 1.021 275 L CA -0.851 53.997 54.840 0.013 0.000 0.871 275 L CB 2.555 44.628 42.059 0.022 0.000 1.472 275 L HN 0.563 nan 8.230 nan 0.000 0.410 276 G N 2.034 110.855 108.800 0.035 0.000 2.413 276 G HA2 0.504 4.464 3.960 -0.000 0.000 0.285 276 G HA3 0.504 4.464 3.960 -0.000 0.000 0.285 276 G C -1.559 173.423 174.900 0.136 0.000 1.337 276 G CA -0.538 44.592 45.100 0.049 0.000 1.324 276 G HN 0.596 nan 8.290 nan 0.000 0.611 277 L N 1.925 123.221 121.223 0.121 0.000 2.275 277 L HA 0.476 4.816 4.340 -0.000 0.000 0.288 277 L C 0.551 177.488 176.870 0.113 0.000 1.046 277 L CA -0.687 54.261 54.840 0.180 0.000 0.805 277 L CB 1.685 43.823 42.059 0.131 0.000 1.193 277 L HN 0.398 nan 8.230 nan 0.000 0.426 278 S N 1.913 117.677 115.700 0.108 0.000 2.565 278 S HA 0.300 4.770 4.470 -0.000 0.000 0.274 278 S C -0.098 174.459 174.600 -0.072 0.000 1.309 278 S CA -0.276 57.858 58.200 -0.111 0.000 1.043 278 S CB 0.388 63.399 63.200 -0.316 0.000 0.939 278 S HN 0.643 nan 8.310 nan 0.000 0.504 279 Y N -1.812 118.562 120.300 0.124 0.000 4.929 279 Y HA -0.251 4.299 4.550 -0.000 0.000 0.253 279 Y C 0.625 176.559 175.900 0.057 0.000 0.946 279 Y CA 0.401 58.553 58.100 0.088 0.000 1.905 279 Y CB -2.418 36.091 38.460 0.083 0.000 1.400 279 Y HN 0.722 nan 8.280 nan 0.000 0.531 280 M N 1.806 121.479 119.600 0.122 0.000 2.408 280 M HA 0.278 4.758 4.480 -0.000 0.000 0.363 280 M C 1.023 177.351 176.300 0.046 0.000 1.636 280 M CA 1.332 56.662 55.300 0.050 0.000 1.029 280 M CB 0.100 32.694 32.600 -0.009 0.000 2.068 280 M HN 0.383 nan 8.290 nan 0.000 0.466 281 G N 5.212 114.044 108.800 0.054 0.000 2.532 281 G HA2 0.493 4.453 3.960 -0.000 0.000 0.291 281 G HA3 0.493 4.453 3.960 -0.000 0.000 0.291 281 G C -2.434 172.475 174.900 0.016 0.000 1.349 281 G CA -1.066 44.063 45.100 0.049 0.000 1.038 281 G HN 0.586 nan 8.290 nan 0.000 0.518 282 P HA -0.006 nan 4.420 nan 0.000 0.224 282 P C 1.395 178.705 177.300 0.016 0.000 1.157 282 P CA 0.564 63.675 63.100 0.019 0.000 0.799 282 P CB 0.262 31.985 31.700 0.039 0.000 0.809 283 N N 0.348 119.068 118.700 0.033 0.000 2.270 283 N HA -0.106 4.634 4.740 -0.000 0.000 0.181 283 N C 1.378 176.909 175.510 0.035 0.000 1.016 283 N CA 1.093 54.169 53.050 0.042 0.000 0.870 283 N CB -0.268 38.256 38.487 0.063 0.000 0.979 283 N HN 0.405 nan 8.380 nan 0.000 0.431 284 E N 0.900 121.116 120.200 0.027 0.000 2.364 284 E HA 0.001 4.351 4.350 -0.000 0.000 0.196 284 E C 1.843 178.375 176.600 -0.114 0.000 0.990 284 E CA -0.122 56.281 56.400 0.005 0.000 0.886 284 E CB -0.382 29.324 29.700 0.011 0.000 0.866 284 E HN 0.259 nan 8.360 nan 0.000 0.493 285 M N 2.021 121.533 119.600 -0.146 0.000 2.124 285 M HA -0.175 4.305 4.480 -0.000 0.000 0.253 285 M C -0.902 175.032 176.300 -0.610 0.000 1.077 285 M CA 2.436 57.571 55.300 -0.276 0.000 1.085 285 M CB -1.032 31.456 32.600 -0.187 0.000 1.320 285 M HN -0.031 nan 8.290 nan 0.000 0.404 286 P HA -0.137 nan 4.420 nan 0.000 0.223 286 P C 1.470 178.335 177.300 -0.724 0.000 1.144 286 P CA 1.250 63.584 63.100 -1.276 0.000 0.783 286 P CB -0.919 30.530 31.700 -0.418 0.000 0.771 287 I N -3.714 116.653 120.570 -0.337 0.000 2.850 287 I HA -0.138 4.032 4.170 -0.000 0.000 0.266 287 I C 1.287 177.357 176.117 -0.079 0.000 1.257 287 I CA 1.570 62.824 61.300 -0.077 0.000 1.465 287 I CB -0.980 37.078 38.000 0.097 0.000 1.091 287 I HN -0.013 nan 8.210 nan 0.000 0.467 288 L N -0.398 120.590 121.223 -0.392 0.000 2.307 288 L HA -0.009 4.331 4.340 -0.000 0.000 0.211 288 L C 2.431 178.968 176.870 -0.554 0.000 1.099 288 L CA 0.411 54.881 54.840 -0.617 0.000 0.816 288 L CB -0.523 41.214 42.059 -0.537 0.000 0.952 288 L HN 0.073 nan 8.230 nan 0.000 0.455 289 F N 0.820 120.603 119.950 -0.277 0.000 2.120 289 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 289 F C -0.010 175.688 175.800 -0.169 0.000 1.095 289 F CA 0.714 58.591 58.000 -0.205 0.000 1.249 289 F CB -2.660 36.276 39.000 -0.106 0.000 0.995 289 F HN 0.107 nan 8.300 nan 0.000 0.480 290 P HA -0.211 nan 4.420 nan 0.000 0.219 290 P C 0.717 178.159 177.300 0.236 0.000 1.144 290 P CA 1.767 64.979 63.100 0.187 0.000 0.806 290 P CB -0.344 31.531 31.700 0.291 0.000 0.771 291 F N -6.543 113.434 119.950 0.044 0.000 2.993 291 F HA 0.657 5.184 4.527 0.000 0.000 0.338 291 F C 1.473 177.275 175.800 0.002 0.000 1.199 291 F CA -0.279 57.728 58.000 0.012 0.000 1.069 291 F CB -0.846 38.149 39.000 -0.009 0.000 1.294 291 F HN -0.262 nan 8.300 nan 0.000 0.513 292 A N 1.437 124.060 122.820 -0.328 0.000 2.042 292 A HA -0.068 4.252 4.320 -0.000 0.000 0.222 292 A C 2.340 179.882 177.584 -0.070 0.000 1.167 292 A CA 2.114 54.012 52.037 -0.231 0.000 0.649 292 A CB -1.098 17.829 19.000 -0.123 0.000 0.809 292 A HN 0.724 nan 8.150 nan 0.000 0.457 293 A N -1.572 121.241 122.820 -0.012 0.000 2.172 293 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 293 A C 2.013 179.621 177.584 0.039 0.000 1.154 293 A CA 1.557 53.603 52.037 0.016 0.000 0.701 293 A CB -0.332 18.685 19.000 0.027 0.000 0.789 293 A HN 0.684 nan 8.150 nan 0.000 0.465 294 Q N -0.895 118.949 119.800 0.073 0.000 2.391 294 Q HA 0.240 4.580 4.340 -0.000 0.000 0.211 294 Q C -0.144 175.906 176.000 0.084 0.000 0.908 294 Q CA -0.187 55.676 55.803 0.100 0.000 0.920 294 Q CB 0.159 29.007 28.738 0.184 0.000 1.056 294 Q HN 0.645 nan 8.270 nan 0.000 0.523 295 I N 2.095 122.702 120.570 0.062 0.000 2.581 295 I HA -0.045 4.125 4.170 -0.000 0.000 0.285 295 I C 0.949 177.077 176.117 0.019 0.000 1.129 295 I CA 0.525 61.845 61.300 0.034 0.000 1.397 295 I CB 0.571 38.551 38.000 -0.034 0.000 1.399 295 I HN 0.156 nan 8.210 nan 0.000 0.537 296 R N 4.440 124.952 120.500 0.021 0.000 2.335 296 R HA 0.217 4.557 4.340 -0.000 0.000 0.210 296 R C 0.268 176.572 176.300 0.007 0.000 0.892 296 R CA -0.044 56.065 56.100 0.015 0.000 1.048 296 R CB 0.459 30.768 30.300 0.016 0.000 1.067 296 R HN 0.422 nan 8.270 nan 0.000 0.524 297 K N 1.125 121.525 120.400 0.000 0.000 2.535 297 K HA 0.334 4.654 4.320 -0.000 0.000 0.250 297 K C -1.975 174.615 176.600 -0.016 0.000 0.948 297 K CA -0.648 55.633 56.287 -0.009 0.000 0.796 297 K CB 1.577 34.066 32.500 -0.019 0.000 1.216 297 K HN -0.178 nan 8.250 nan 0.000 0.432 298 L N 3.199 124.413 121.223 -0.015 0.000 2.385 298 L HA 0.435 4.775 4.340 -0.000 0.000 0.273 298 L C -1.462 175.399 176.870 -0.015 0.000 0.990 298 L CA -0.242 54.584 54.840 -0.023 0.000 0.821 298 L CB 1.874 43.918 42.059 -0.026 0.000 1.279 298 L HN 0.634 nan 8.230 nan 0.000 0.412 299 D N 4.435 124.826 120.400 -0.015 0.000 2.434 299 D HA 0.273 4.913 4.640 -0.000 0.000 0.275 299 D C -0.050 176.251 176.300 0.002 0.000 1.172 299 D CA -0.110 53.892 54.000 0.004 0.000 0.916 299 D CB 0.439 41.258 40.800 0.031 0.000 1.041 299 D HN 0.500 nan 8.370 nan 0.000 0.501 300 L N 3.101 124.308 121.223 -0.028 0.000 2.737 300 L HA 0.121 4.461 4.340 -0.000 0.000 0.236 300 L C 1.690 178.510 176.870 -0.084 0.000 1.219 300 L CA -0.334 54.479 54.840 -0.046 0.000 1.021 300 L CB 0.192 42.213 42.059 -0.063 0.000 1.291 300 L HN 0.297 nan 8.230 nan 0.000 0.470 301 L N -0.214 120.891 121.223 -0.196 0.000 2.156 301 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 301 L C 1.143 177.600 176.870 -0.688 0.000 1.095 301 L CA 1.968 56.510 54.840 -0.497 0.000 0.770 301 L CB -0.467 41.123 42.059 -0.782 0.000 0.914 301 L HN 0.350 nan 8.230 nan 0.000 0.439 302 Y N -1.106 119.153 120.300 -0.068 0.000 2.720 302 Y HA 0.522 5.072 4.550 0.000 0.000 0.268 302 Y C 0.732 176.539 175.900 -0.155 0.000 1.142 302 Y CA -0.473 57.530 58.100 -0.161 0.000 1.193 302 Y CB -0.221 38.053 38.460 -0.309 0.000 1.176 302 Y HN 0.015 nan 8.280 nan 0.000 0.542 303 A N 0.629 123.449 122.820 -0.001 0.000 2.327 303 A HA 0.492 4.812 4.320 -0.000 0.000 0.283 303 A C -0.011 177.614 177.584 0.069 0.000 1.127 303 A CA -0.352 51.697 52.037 0.020 0.000 0.810 303 A CB 0.513 19.495 19.000 -0.030 0.000 1.066 303 A HN 0.311 nan 8.150 nan 0.000 0.492 304 L N 3.351 124.634 121.223 0.099 0.000 3.035 304 L HA 0.257 4.597 4.340 -0.000 0.000 0.232 304 L C 0.059 176.979 176.870 0.083 0.000 1.341 304 L CA 0.666 55.574 54.840 0.114 0.000 1.177 304 L CB -1.399 40.749 42.059 0.148 0.000 1.555 304 L HN 0.670 nan 8.230 nan 0.000 0.473 305 L N -2.564 118.703 121.223 0.075 0.000 2.341 305 L HA 0.707 5.047 4.340 -0.000 0.000 0.267 305 L C -0.257 176.714 176.870 0.168 0.000 1.009 305 L CA -0.729 54.153 54.840 0.071 0.000 0.819 305 L CB 2.327 44.376 42.059 -0.016 0.000 1.323 305 L HN 0.060 nan 8.230 nan 0.000 0.425 306 E N 0.274 120.565 120.200 0.152 0.000 2.267 306 E HA 0.150 4.500 4.350 -0.000 0.000 0.258 306 E C 0.369 177.085 176.600 0.194 0.000 1.074 306 E CA -0.354 56.133 56.400 0.144 0.000 0.915 306 E CB 1.789 31.538 29.700 0.082 0.000 1.186 306 E HN 0.775 nan 8.360 nan 0.000 0.439 307 T N -0.236 114.368 114.554 0.084 0.000 2.759 307 T HA -0.236 4.114 4.350 -0.000 0.000 0.269 307 T C 1.601 176.353 174.700 0.086 0.000 1.042 307 T CA 2.020 64.138 62.100 0.031 0.000 1.140 307 T CB -0.056 68.797 68.868 -0.025 0.000 0.864 307 T HN 0.518 nan 8.240 nan 0.000 0.455 308 E N 0.025 120.270 120.200 0.076 0.000 2.031 308 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 308 E C 1.930 178.580 176.600 0.084 0.000 0.994 308 E CA 1.635 58.074 56.400 0.066 0.000 0.800 308 E CB -0.125 29.605 29.700 0.049 0.000 0.752 308 E HN 0.566 nan 8.360 nan 0.000 0.447 309 D N -0.196 120.263 120.400 0.098 0.000 2.182 309 D HA -0.195 4.445 4.640 -0.000 0.000 0.201 309 D C 1.848 178.187 176.300 0.064 0.000 0.986 309 D CA 0.982 55.028 54.000 0.076 0.000 0.847 309 D CB -0.408 40.426 40.800 0.056 0.000 0.942 309 D HN 0.424 nan 8.370 nan 0.000 0.467 310 H N 0.103 119.181 119.070 0.014 0.000 2.319 310 H HA -0.095 4.461 4.556 0.000 0.000 0.299 310 H C 2.451 177.777 175.328 -0.002 0.000 1.092 310 H CA 1.264 57.316 56.048 0.007 0.000 1.302 310 H CB -0.117 29.648 29.762 0.006 0.000 1.373 310 H HN 0.241 nan 8.280 nan 0.000 0.497 311 C N -0.008 119.370 119.300 0.130 0.000 2.429 311 C HA -0.147 4.313 4.460 -0.000 0.000 0.277 311 C C 3.147 178.120 174.990 -0.029 0.000 1.262 311 C CA 1.582 60.628 59.018 0.046 0.000 1.733 311 C CB -1.112 26.651 27.740 0.037 0.000 2.010 311 C HN 0.705 nan 8.230 nan 0.000 0.483 312 T N -0.386 114.159 114.554 -0.016 0.000 2.821 312 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 312 T C 1.739 176.395 174.700 -0.074 0.000 1.046 312 T CA 1.288 63.349 62.100 -0.065 0.000 1.139 312 T CB -0.330 68.526 68.868 -0.019 0.000 0.871 312 T HN 0.551 nan 8.240 nan 0.000 0.454 313 L N 0.078 121.305 121.223 0.006 0.000 2.049 313 L HA 0.065 4.405 4.340 -0.000 0.000 0.203 313 L C 2.646 179.490 176.870 -0.043 0.000 1.074 313 L CA 1.101 55.963 54.840 0.036 0.000 0.749 313 L CB -0.350 41.713 42.059 0.008 0.000 0.907 313 L HN 0.256 nan 8.230 nan 0.000 0.439 314 I N -0.048 120.498 120.570 -0.040 0.000 2.151 314 I HA -0.368 3.802 4.170 -0.000 0.000 0.243 314 I C 2.546 178.600 176.117 -0.106 0.000 1.080 314 I CA 1.461 62.742 61.300 -0.032 0.000 1.339 314 I CB -1.356 36.659 38.000 0.024 0.000 1.039 314 I HN 0.522 nan 8.210 nan 0.000 0.409 315 Q N 1.629 121.287 119.800 -0.236 0.000 2.197 315 Q HA -0.212 4.128 4.340 -0.000 0.000 0.207 315 Q C 1.635 177.369 176.000 -0.443 0.000 0.984 315 Q CA 1.486 56.937 55.803 -0.587 0.000 0.869 315 Q CB 0.021 28.362 28.738 -0.662 0.000 0.906 315 Q HN 0.570 nan 8.270 nan 0.000 0.426 316 K N -1.141 119.105 120.400 -0.257 0.000 2.458 316 K HA 0.106 4.426 4.320 -0.000 0.000 0.194 316 K C 0.293 176.835 176.600 -0.097 0.000 1.024 316 K CA -0.118 56.056 56.287 -0.189 0.000 1.108 316 K CB 0.467 32.843 32.500 -0.206 0.000 0.846 316 K HN 0.059 nan 8.250 nan 0.000 0.518 317 C N 2.611 121.872 119.300 -0.065 0.000 3.075 317 C HA 0.212 4.672 4.460 -0.000 0.000 0.262 317 C C -1.254 173.748 174.990 0.019 0.000 1.371 317 C CA -1.366 57.637 59.018 -0.024 0.000 1.594 317 C CB 0.222 27.945 27.740 -0.028 0.000 1.849 317 C HN 0.273 nan 8.230 nan 0.000 0.475 318 P HA -0.134 nan 4.420 nan 0.000 0.219 318 P C 0.764 178.095 177.300 0.051 0.000 1.146 318 P CA 1.573 64.716 63.100 0.071 0.000 0.808 318 P CB 0.230 31.970 31.700 0.066 0.000 0.779 319 N N -0.700 118.022 118.700 0.036 0.000 2.230 319 N HA 0.063 4.803 4.740 -0.000 0.000 0.202 319 N C 0.461 175.988 175.510 0.029 0.000 1.119 319 N CA -0.341 52.728 53.050 0.032 0.000 0.851 319 N CB -0.062 38.442 38.487 0.028 0.000 0.990 319 N HN 0.129 nan 8.380 nan 0.000 0.497 320 L N 2.689 123.929 121.223 0.029 0.000 2.628 320 L HA -0.070 4.270 4.340 -0.000 0.000 0.274 320 L C 1.368 178.258 176.870 0.033 0.000 1.209 320 L CA 0.733 55.589 54.840 0.027 0.000 0.930 320 L CB 0.381 42.458 42.059 0.029 0.000 1.183 320 L HN 0.234 nan 8.230 nan 0.000 0.492 321 E N 3.365 123.582 120.200 0.028 0.000 2.447 321 E HA 0.175 4.525 4.350 -0.000 0.000 0.204 321 E C -0.363 176.258 176.600 0.035 0.000 0.977 321 E CA -0.103 56.317 56.400 0.033 0.000 0.950 321 E CB 0.402 30.119 29.700 0.029 0.000 0.975 321 E HN 0.357 nan 8.360 nan 0.000 0.496 322 V N 2.200 122.128 119.914 0.024 0.000 2.577 322 V HA 0.389 4.509 4.120 -0.000 0.000 0.303 322 V C -1.296 174.812 176.094 0.023 0.000 1.042 322 V CA -0.980 61.333 62.300 0.021 0.000 0.872 322 V CB 1.942 33.760 31.823 -0.008 0.000 0.998 322 V HN 0.208 nan 8.190 nan 0.000 0.423 323 L N 4.228 125.476 121.223 0.042 0.000 2.409 323 L HA 0.723 5.063 4.340 -0.000 0.000 0.272 323 L C -0.583 176.317 176.870 0.050 0.000 0.980 323 L CA 0.130 54.995 54.840 0.041 0.000 0.826 323 L CB 2.064 44.156 42.059 0.055 0.000 1.268 323 L HN 0.708 nan 8.230 nan 0.000 0.407 324 E N 2.764 122.983 120.200 0.031 0.000 2.199 324 E HA 0.703 5.053 4.350 -0.000 0.000 0.269 324 E C -1.152 175.458 176.600 0.016 0.000 0.899 324 E CA -0.623 55.793 56.400 0.028 0.000 0.772 324 E CB 2.202 31.906 29.700 0.006 0.000 1.155 324 E HN 0.692 nan 8.360 nan 0.000 0.408 325 T N 0.987 115.551 114.554 0.017 0.000 2.749 325 T HA 0.302 4.652 4.350 -0.000 0.000 0.310 325 T C -1.148 173.540 174.700 -0.019 0.000 1.496 325 T CA -0.726 61.387 62.100 0.022 0.000 1.006 325 T CB 1.028 69.978 68.868 0.137 0.000 1.457 325 T HN 0.367 nan 8.240 nan 0.000 0.497 326 R N 1.188 121.668 120.500 -0.034 0.000 2.652 326 R HA 0.314 4.654 4.340 -0.000 0.000 0.271 326 R C 1.663 177.915 176.300 -0.079 0.000 1.129 326 R CA 0.015 56.072 56.100 -0.072 0.000 1.200 326 R CB 0.192 30.446 30.300 -0.078 0.000 1.146 326 R HN 0.830 nan 8.270 nan 0.000 0.581 327 N N -0.433 118.218 118.700 -0.081 0.000 2.550 327 N HA -0.091 4.649 4.740 -0.000 0.000 0.186 327 N C 1.056 176.494 175.510 -0.120 0.000 1.110 327 N CA 0.181 53.186 53.050 -0.076 0.000 0.912 327 N CB -0.008 38.456 38.487 -0.039 0.000 0.968 327 N HN 0.149 nan 8.380 nan 0.000 0.448 328 V N 1.514 121.340 119.914 -0.147 0.000 2.439 328 V HA -0.270 3.850 4.120 -0.000 0.000 0.253 328 V C 2.379 178.246 176.094 -0.378 0.000 1.074 328 V CA 1.370 63.552 62.300 -0.196 0.000 1.076 328 V CB -0.743 30.996 31.823 -0.140 0.000 0.664 328 V HN 0.382 nan 8.190 nan 0.000 0.461 329 I N 0.737 120.971 120.570 -0.561 0.000 2.285 329 I HA -0.135 4.035 4.170 -0.000 0.000 0.253 329 I C 1.313 177.291 176.117 -0.232 0.000 1.104 329 I CA 1.508 62.479 61.300 -0.550 0.000 1.372 329 I CB -0.779 37.072 38.000 -0.249 0.000 1.057 329 I HN 0.519 nan 8.210 nan 0.000 0.431 330 G N -0.217 108.494 108.800 -0.150 0.000 2.916 330 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.533 330 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.533 330 G C 0.400 175.279 174.900 -0.036 0.000 1.516 330 G CA 0.014 45.070 45.100 -0.073 0.000 0.944 330 G HN 0.346 nan 8.290 nan 0.000 0.555 331 D N 0.017 120.407 120.400 -0.016 0.000 2.149 331 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 331 D C 2.397 178.700 176.300 0.006 0.000 0.990 331 D CA 1.420 55.420 54.000 0.000 0.000 0.839 331 D CB 0.021 40.824 40.800 0.005 0.000 0.948 331 D HN 0.519 nan 8.370 nan 0.000 0.460 332 R N 0.457 120.959 120.500 0.003 0.000 2.091 332 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 332 R C 2.363 178.680 176.300 0.027 0.000 1.136 332 R CA 1.711 57.821 56.100 0.016 0.000 0.959 332 R CB -0.471 29.838 30.300 0.015 0.000 0.856 332 R HN 0.147 nan 8.270 nan 0.000 0.437 333 G N 0.663 109.471 108.800 0.014 0.000 2.418 333 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 333 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 333 G C 1.422 176.350 174.900 0.047 0.000 1.158 333 G CA 0.721 45.841 45.100 0.034 0.000 0.771 333 G HN 0.241 nan 8.290 nan 0.000 0.545 334 L N -0.013 121.227 121.223 0.029 0.000 2.083 334 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 334 L C 2.854 179.750 176.870 0.044 0.000 1.083 334 L CA 1.257 56.119 54.840 0.038 0.000 0.752 334 L CB -0.439 41.637 42.059 0.028 0.000 0.899 334 L HN 0.298 nan 8.230 nan 0.000 0.433 335 E N -0.309 119.914 120.200 0.040 0.000 2.085 335 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 335 E C 2.244 178.888 176.600 0.073 0.000 0.994 335 E CA 1.463 57.886 56.400 0.039 0.000 0.801 335 E CB -0.035 29.684 29.700 0.032 0.000 0.743 335 E HN 0.267 nan 8.360 nan 0.000 0.453 336 V N 1.177 121.157 119.914 0.110 0.000 2.255 336 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 336 V C 2.321 178.564 176.094 0.249 0.000 1.051 336 V CA 1.521 63.946 62.300 0.209 0.000 1.018 336 V CB -0.462 31.445 31.823 0.139 0.000 0.641 336 V HN 0.251 nan 8.190 nan 0.000 0.445 337 L N 0.756 122.066 121.223 0.145 0.000 2.127 337 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 337 L C 2.443 179.369 176.870 0.092 0.000 1.089 337 L CA 2.091 57.004 54.840 0.122 0.000 0.757 337 L CB -0.853 41.258 42.059 0.087 0.000 0.899 337 L HN 0.252 nan 8.230 nan 0.000 0.434 338 A N -0.821 122.035 122.820 0.060 0.000 1.978 338 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 338 A C 2.163 179.727 177.584 -0.034 0.000 1.170 338 A CA 1.963 54.004 52.037 0.007 0.000 0.636 338 A CB -0.430 18.563 19.000 -0.011 0.000 0.810 338 A HN 0.743 nan 8.150 nan 0.000 0.448 339 Q N -3.470 116.289 119.800 -0.069 0.000 2.280 339 Q HA 0.121 4.461 4.340 -0.000 0.000 0.244 339 Q C 1.354 177.188 176.000 -0.277 0.000 0.847 339 Q CA 0.128 55.812 55.803 -0.198 0.000 0.945 339 Q CB -0.164 28.389 28.738 -0.308 0.000 1.115 339 Q HN 0.608 nan 8.270 nan 0.000 0.513 340 Y N 0.895 121.190 120.300 -0.008 0.000 2.314 340 Y HA 0.108 4.657 4.550 -0.000 0.000 0.294 340 Y C 1.008 176.906 175.900 -0.003 0.000 1.119 340 Y CA 0.324 58.419 58.100 -0.008 0.000 1.179 340 Y CB 0.724 39.178 38.460 -0.010 0.000 1.025 340 Y HN 0.164 nan 8.280 nan 0.000 0.541 341 C N 2.049 121.431 119.300 0.137 0.000 2.288 341 C HA 0.293 4.753 4.460 -0.000 0.000 0.328 341 C C 1.203 176.224 174.990 0.052 0.000 1.071 341 C CA -1.340 57.731 59.018 0.088 0.000 1.594 341 C CB -0.247 27.545 27.740 0.087 0.000 1.700 341 C HN 0.302 nan 8.230 nan 0.000 0.436 342 K N 0.891 121.311 120.400 0.034 0.000 2.305 342 K HA -0.023 4.297 4.320 -0.000 0.000 0.199 342 K C 1.550 178.167 176.600 0.029 0.000 1.047 342 K CA 0.925 57.223 56.287 0.019 0.000 0.976 342 K CB 0.203 32.705 32.500 0.003 0.000 0.765 342 K HN 0.654 nan 8.250 nan 0.000 0.474 343 Q N 0.523 120.344 119.800 0.035 0.000 2.403 343 Q HA 0.046 4.386 4.340 -0.000 0.000 0.203 343 Q C 0.498 176.525 176.000 0.044 0.000 0.932 343 Q CA -0.185 55.640 55.803 0.037 0.000 0.945 343 Q CB -0.498 28.260 28.738 0.033 0.000 1.045 343 Q HN 0.088 nan 8.270 nan 0.000 0.511 344 L N 2.478 123.731 121.223 0.050 0.000 2.628 344 L HA -0.120 4.220 4.340 -0.000 0.000 0.274 344 L C 1.013 177.926 176.870 0.071 0.000 1.209 344 L CA 0.866 55.742 54.840 0.060 0.000 0.930 344 L CB 0.475 42.573 42.059 0.066 0.000 1.183 344 L HN -0.074 nan 8.230 nan 0.000 0.492 345 K N 4.747 125.192 120.400 0.074 0.000 2.350 345 K HA 0.240 4.560 4.320 -0.000 0.000 0.196 345 K C -0.104 176.574 176.600 0.130 0.000 1.084 345 K CA 0.467 56.808 56.287 0.089 0.000 0.967 345 K CB 0.540 33.079 32.500 0.066 0.000 0.950 345 K HN 0.573 nan 8.250 nan 0.000 0.512 346 R N 0.787 121.362 120.500 0.126 0.000 2.564 346 R HA 0.464 4.804 4.340 -0.000 0.000 0.284 346 R C -1.406 175.007 176.300 0.189 0.000 1.031 346 R CA -0.763 55.456 56.100 0.198 0.000 0.904 346 R CB 1.748 32.092 30.300 0.073 0.000 1.199 346 R HN -0.121 nan 8.270 nan 0.000 0.443 347 L N 1.917 123.306 121.223 0.276 0.000 2.438 347 L HA 0.544 4.884 4.340 -0.000 0.000 0.270 347 L C -1.238 175.767 176.870 0.225 0.000 0.972 347 L CA -0.467 54.487 54.840 0.190 0.000 0.831 347 L CB 1.893 44.029 42.059 0.127 0.000 1.273 347 L HN 0.704 nan 8.230 nan 0.000 0.405 348 R N 6.064 126.675 120.500 0.187 0.000 2.476 348 R HA 0.642 4.982 4.340 -0.000 0.000 0.305 348 R C -1.591 174.770 176.300 0.102 0.000 0.965 348 R CA -0.650 55.558 56.100 0.180 0.000 0.867 348 R CB 1.190 31.634 30.300 0.240 0.000 1.176 348 R HN 0.681 nan 8.270 nan 0.000 0.447 349 I N 4.407 125.029 120.570 0.087 0.000 2.388 349 I HA 0.260 4.430 4.170 -0.000 0.000 0.281 349 I C 0.402 176.594 176.117 0.124 0.000 1.046 349 I CA -0.519 60.822 61.300 0.070 0.000 1.187 349 I CB 0.919 38.949 38.000 0.051 0.000 1.351 349 I HN 0.603 nan 8.210 nan 0.000 0.472 350 E N 4.851 125.081 120.200 0.050 0.000 2.397 350 E HA 0.169 4.519 4.350 -0.000 0.000 0.254 350 E C 0.318 176.800 176.600 -0.197 0.000 1.231 350 E CA -0.400 55.977 56.400 -0.038 0.000 0.954 350 E CB 1.288 30.918 29.700 -0.117 0.000 1.024 350 E HN 0.521 nan 8.360 nan 0.000 0.481 351 R N -0.661 119.501 120.500 -0.565 0.000 2.404 351 R HA 0.533 4.873 4.340 -0.000 0.000 0.291 351 R C 0.392 176.531 176.300 -0.267 0.000 1.025 351 R CA -0.387 55.443 56.100 -0.451 0.000 0.991 351 R CB 0.948 30.823 30.300 -0.709 0.000 1.053 351 R HN 0.425 nan 8.270 nan 0.000 0.479 352 G N 1.104 109.808 108.800 -0.160 0.000 2.574 352 G HA2 0.448 4.407 3.960 -0.000 0.000 0.248 352 G HA3 0.448 4.407 3.960 -0.000 0.000 0.248 352 G C -0.722 174.132 174.900 -0.077 0.000 1.422 352 G CA -0.715 44.323 45.100 -0.103 0.000 1.051 352 G HN 0.843 nan 8.290 nan 0.000 0.560 353 A N -0.076 122.719 122.820 -0.042 0.000 2.473 353 A HA 0.324 4.644 4.320 -0.000 0.000 0.282 353 A C 0.417 177.986 177.584 -0.025 0.000 1.163 353 A CA 0.013 52.035 52.037 -0.025 0.000 0.827 353 A CB -0.150 18.848 19.000 -0.004 0.000 1.098 353 A HN 0.523 nan 8.150 nan 0.000 0.515 354 D N 2.061 122.444 120.400 -0.029 0.000 2.525 354 D HA 0.087 4.727 4.640 -0.000 0.000 0.229 354 D C 0.841 177.134 176.300 -0.012 0.000 1.202 354 D CA 0.240 54.226 54.000 -0.024 0.000 0.828 354 D CB 0.546 41.325 40.800 -0.034 0.000 1.008 354 D HN 0.801 nan 8.370 nan 0.000 0.493 355 E N -0.227 119.969 120.200 -0.008 0.000 2.075 355 E HA 0.053 4.403 4.350 -0.000 0.000 0.193 355 E C 0.223 176.822 176.600 -0.001 0.000 0.950 355 E CA 0.127 56.525 56.400 -0.002 0.000 0.859 355 E CB 0.321 30.021 29.700 0.000 0.000 0.846 355 E HN 0.008 nan 8.360 nan 0.000 0.467 356 Q N 1.241 121.042 119.800 0.000 0.000 2.655 356 Q HA 0.337 4.677 4.340 -0.000 0.000 0.228 356 Q C -0.045 175.956 176.000 0.001 0.000 1.186 356 Q CA -0.030 55.774 55.803 0.002 0.000 1.004 356 Q CB 0.638 29.378 28.738 0.004 0.000 1.242 356 Q HN 0.421 nan 8.270 nan 0.000 0.558 357 G N 2.653 111.453 108.800 -0.000 0.000 2.880 357 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.686 357 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.686 357 G C 0.353 175.251 174.900 -0.004 0.000 1.505 357 G CA -0.789 44.310 45.100 -0.001 0.000 1.057 357 G HN 0.515 nan 8.290 nan 0.000 0.599 358 M N 1.570 121.166 119.600 -0.007 0.000 3.235 358 M HA 0.057 4.537 4.480 -0.000 0.000 0.184 358 M C 1.475 177.767 176.300 -0.013 0.000 1.325 358 M CA 1.594 56.886 55.300 -0.013 0.000 1.374 358 M CB -1.862 30.729 32.600 -0.015 0.000 1.620 358 M HN 0.955 nan 8.290 nan 0.000 0.429 359 E N -0.040 120.157 120.200 -0.006 0.000 4.924 359 E HA -0.254 4.096 4.350 -0.000 0.000 0.229 359 E C -0.295 176.308 176.600 0.006 0.000 0.912 359 E CA 2.080 58.481 56.400 0.002 0.000 1.857 359 E CB -0.579 29.121 29.700 -0.001 0.000 1.787 359 E HN 0.780 nan 8.360 nan 0.000 0.427 360 D N -1.359 119.041 120.400 -0.000 0.000 2.725 360 D HA 0.211 4.851 4.640 -0.000 0.000 0.292 360 D C -0.324 175.976 176.300 -0.001 0.000 1.288 360 D CA -0.585 53.417 54.000 0.004 0.000 0.784 360 D CB 0.212 41.017 40.800 0.009 0.000 1.308 360 D HN -0.058 nan 8.370 nan 0.000 0.429 361 E N -0.644 119.557 120.200 0.002 0.000 2.321 361 E HA 0.124 4.474 4.350 -0.000 0.000 0.189 361 E C -0.090 176.509 176.600 -0.002 0.000 1.125 361 E CA 0.494 56.894 56.400 0.000 0.000 1.005 361 E CB -0.153 29.549 29.700 0.003 0.000 1.140 361 E HN 0.455 nan 8.360 nan 0.000 0.457 362 E N -2.080 118.116 120.200 -0.007 0.000 2.633 362 E HA 0.133 4.483 4.350 -0.000 0.000 0.222 362 E C 0.931 177.516 176.600 -0.025 0.000 0.899 362 E CA 0.240 56.633 56.400 -0.011 0.000 1.292 362 E CB 0.783 30.478 29.700 -0.008 0.000 1.257 362 E HN 0.171 nan 8.360 nan 0.000 0.626 363 G N 1.971 110.753 108.800 -0.030 0.000 3.325 363 G HA2 0.259 4.219 3.960 -0.000 0.000 0.242 363 G HA3 0.259 4.219 3.960 -0.000 0.000 0.242 363 G C -0.247 174.632 174.900 -0.036 0.000 1.120 363 G CA 0.279 45.352 45.100 -0.046 0.000 1.778 363 G HN -0.123 nan 8.290 nan 0.000 0.610 364 L N 0.078 121.285 121.223 -0.027 0.000 2.385 364 L HA 0.539 4.879 4.340 -0.000 0.000 0.273 364 L C 0.028 176.890 176.870 -0.013 0.000 0.990 364 L CA -1.125 53.705 54.840 -0.015 0.000 0.821 364 L CB 2.238 44.292 42.059 -0.007 0.000 1.279 364 L HN 0.007 nan 8.230 nan 0.000 0.412 365 V N 0.637 120.548 119.914 -0.006 0.000 2.630 365 V HA 1.030 5.150 4.120 -0.000 0.000 0.305 365 V C -0.127 175.974 176.094 0.011 0.000 1.046 365 V CA 0.183 62.484 62.300 0.001 0.000 0.934 365 V CB 1.800 33.625 31.823 0.003 0.000 1.003 365 V HN 0.994 nan 8.190 nan 0.000 0.451 366 S N 2.582 118.291 115.700 0.016 0.000 2.790 366 S HA 0.422 4.892 4.470 -0.000 0.000 0.292 366 S C 0.482 175.100 174.600 0.031 0.000 1.197 366 S CA -0.166 58.047 58.200 0.021 0.000 0.851 366 S CB 1.366 64.576 63.200 0.016 0.000 1.217 366 S HN 0.734 nan 8.310 nan 0.000 0.526 367 Q N 0.685 120.505 119.800 0.034 0.000 2.173 367 Q HA -0.085 4.255 4.340 -0.000 0.000 0.208 367 Q C 2.110 178.133 176.000 0.037 0.000 0.989 367 Q CA 2.245 58.073 55.803 0.042 0.000 0.872 367 Q CB -0.468 28.294 28.738 0.039 0.000 0.909 367 Q HN 0.678 nan 8.270 nan 0.000 0.420 368 R N 0.111 120.628 120.500 0.027 0.000 2.082 368 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 368 R C 2.303 178.616 176.300 0.022 0.000 1.136 368 R CA 1.810 57.923 56.100 0.022 0.000 0.935 368 R CB -0.823 29.487 30.300 0.016 0.000 0.842 368 R HN 0.403 nan 8.270 nan 0.000 0.430 369 G N 0.762 109.577 108.800 0.023 0.000 2.421 369 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 369 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 369 G C 1.496 176.417 174.900 0.035 0.000 1.171 369 G CA 0.867 45.982 45.100 0.025 0.000 0.775 369 G HN 0.244 nan 8.290 nan 0.000 0.543 370 L N 0.021 121.274 121.223 0.049 0.000 1.990 370 L HA -0.103 4.237 4.340 -0.000 0.000 0.213 370 L C 2.756 179.665 176.870 0.065 0.000 1.072 370 L CA 1.313 56.197 54.840 0.074 0.000 0.755 370 L CB -0.421 41.697 42.059 0.097 0.000 0.889 370 L HN 0.258 nan 8.230 nan 0.000 0.432 371 I N -0.449 120.152 120.570 0.052 0.000 2.315 371 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 371 I C 2.626 178.740 176.117 -0.003 0.000 1.117 371 I CA 1.238 62.563 61.300 0.041 0.000 1.404 371 I CB -0.050 37.977 38.000 0.044 0.000 1.071 371 I HN 0.204 nan 8.210 nan 0.000 0.419 372 A N 0.707 123.524 122.820 -0.004 0.000 1.865 372 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 372 A C 2.220 179.783 177.584 -0.036 0.000 1.191 372 A CA 2.082 54.102 52.037 -0.027 0.000 0.623 372 A CB -1.155 17.840 19.000 -0.007 0.000 0.826 372 A HN 0.504 nan 8.150 nan 0.000 0.444 373 L N -0.182 121.042 121.223 0.001 0.000 2.013 373 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 373 L C 2.770 179.643 176.870 0.005 0.000 1.073 373 L CA 2.409 57.259 54.840 0.017 0.000 0.753 373 L CB -0.859 41.230 42.059 0.051 0.000 0.890 373 L HN 0.390 nan 8.230 nan 0.000 0.432 374 A N -1.340 121.489 122.820 0.016 0.000 1.948 374 A HA -0.299 4.021 4.320 -0.000 0.000 0.220 374 A C 2.191 179.707 177.584 -0.112 0.000 1.177 374 A CA 2.162 54.219 52.037 0.032 0.000 0.636 374 A CB -0.581 18.483 19.000 0.106 0.000 0.815 374 A HN 0.708 nan 8.150 nan 0.000 0.449 375 Q N -1.300 118.332 119.800 -0.281 0.000 2.163 375 Q HA 0.011 4.351 4.340 -0.000 0.000 0.198 375 Q C 2.236 178.066 176.000 -0.284 0.000 0.954 375 Q CA 0.880 56.351 55.803 -0.554 0.000 0.851 375 Q CB -0.231 28.189 28.738 -0.529 0.000 0.928 375 Q HN 0.668 nan 8.270 nan 0.000 0.459 376 G N 0.244 108.954 108.800 -0.150 0.000 2.404 376 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.213 376 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.213 376 G C 0.556 175.431 174.900 -0.042 0.000 1.189 376 G CA 0.331 45.378 45.100 -0.089 0.000 0.796 376 G HN 0.336 nan 8.290 nan 0.000 0.532 377 C N 1.791 121.085 119.300 -0.010 0.000 2.328 377 C HA 0.411 4.870 4.460 -0.000 0.000 0.446 377 C C 1.429 176.446 174.990 0.044 0.000 1.090 377 C CA -0.725 58.308 59.018 0.025 0.000 1.510 377 C CB -0.731 27.036 27.740 0.045 0.000 1.543 377 C HN 0.503 nan 8.230 nan 0.000 0.533 378 Q N 0.122 119.946 119.800 0.040 0.000 2.482 378 Q HA -0.051 4.289 4.340 -0.000 0.000 0.209 378 Q C 1.432 177.476 176.000 0.074 0.000 0.961 378 Q CA 0.775 56.620 55.803 0.070 0.000 0.945 378 Q CB 0.329 29.116 28.738 0.082 0.000 1.012 378 Q HN 0.760 nan 8.270 nan 0.000 0.515 379 E N 0.307 120.546 120.200 0.064 0.000 2.474 379 E HA 0.073 4.423 4.350 -0.000 0.000 0.194 379 E C -0.117 176.532 176.600 0.081 0.000 1.041 379 E CA -0.243 56.197 56.400 0.066 0.000 0.874 379 E CB 0.348 30.080 29.700 0.054 0.000 0.914 379 E HN 0.298 nan 8.360 nan 0.000 0.498 380 L N 1.876 123.155 121.223 0.094 0.000 2.678 380 L HA -0.143 4.197 4.340 -0.000 0.000 0.285 380 L C 1.103 178.054 176.870 0.135 0.000 1.233 380 L CA 0.799 55.711 54.840 0.119 0.000 0.920 380 L CB 0.276 42.413 42.059 0.130 0.000 1.176 380 L HN 0.181 nan 8.230 nan 0.000 0.495 381 E N 2.589 122.883 120.200 0.156 0.000 2.372 381 E HA 0.016 4.366 4.350 -0.000 0.000 0.201 381 E C -0.806 175.942 176.600 0.247 0.000 0.938 381 E CA 0.107 56.611 56.400 0.172 0.000 0.944 381 E CB 0.720 30.506 29.700 0.143 0.000 0.937 381 E HN 0.493 nan 8.360 nan 0.000 0.495 382 Y N 1.260 121.625 120.300 0.108 0.000 2.331 382 Y HA 0.456 5.006 4.550 0.000 0.000 0.326 382 Y C -1.406 174.555 175.900 0.102 0.000 1.020 382 Y CA -0.876 57.290 58.100 0.110 0.000 1.136 382 Y CB 1.180 39.686 38.460 0.076 0.000 1.157 382 Y HN -0.200 nan 8.280 nan 0.000 0.444 383 M N 6.322 125.785 119.600 -0.228 0.000 2.151 383 M HA 0.825 5.305 4.480 -0.000 0.000 0.290 383 M C -1.940 174.061 176.300 -0.498 0.000 0.965 383 M CA -0.527 54.662 55.300 -0.185 0.000 0.930 383 M CB 1.227 33.868 32.600 0.068 0.000 1.560 383 M HN 0.840 nan 8.290 nan 0.000 0.438 384 A N 4.725 127.301 122.820 -0.406 0.000 2.359 384 A HA 0.827 5.147 4.320 -0.000 0.000 0.303 384 A C -1.686 175.779 177.584 -0.198 0.000 1.066 384 A CA -0.561 51.238 52.037 -0.397 0.000 0.730 384 A CB 1.730 20.542 19.000 -0.313 0.000 1.211 384 A HN 0.606 nan 8.150 nan 0.000 0.439 385 V N 2.808 122.557 119.914 -0.275 0.000 2.668 385 V HA 0.315 4.435 4.120 -0.000 0.000 0.304 385 V C -1.651 174.334 176.094 -0.181 0.000 1.071 385 V CA -0.415 61.800 62.300 -0.143 0.000 0.894 385 V CB 1.825 33.564 31.823 -0.140 0.000 1.008 385 V HN 0.811 nan 8.190 nan 0.000 0.425 386 Y N 3.570 123.809 120.300 -0.102 0.000 2.404 386 Y HA 0.581 5.131 4.550 -0.000 0.000 0.344 386 Y C 0.188 176.046 175.900 -0.071 0.000 0.970 386 Y CA -0.180 57.865 58.100 -0.092 0.000 1.180 386 Y CB 1.787 40.202 38.460 -0.075 0.000 1.138 386 Y HN 0.415 nan 8.280 nan 0.000 0.510 387 V N 2.941 122.875 119.914 0.033 0.000 2.581 387 V HA 0.285 4.405 4.120 -0.000 0.000 0.303 387 V C 0.379 176.485 176.094 0.019 0.000 1.041 387 V CA -0.107 62.202 62.300 0.014 0.000 0.907 387 V CB 2.167 33.981 31.823 -0.015 0.000 0.994 387 V HN 0.879 nan 8.190 nan 0.000 0.442 388 S N 3.546 119.256 115.700 0.016 0.000 2.501 388 S HA 0.152 4.622 4.470 -0.000 0.000 0.220 388 S C -0.028 174.575 174.600 0.004 0.000 0.997 388 S CA 0.441 58.648 58.200 0.011 0.000 0.919 388 S CB -0.103 63.101 63.200 0.007 0.000 0.778 388 S HN 0.893 nan 8.310 nan 0.000 0.523 389 D N -0.134 120.269 120.400 0.005 0.000 2.812 389 D HA 0.393 5.033 4.640 -0.000 0.000 0.210 389 D C -1.512 174.796 176.300 0.014 0.000 1.260 389 D CA -0.616 53.387 54.000 0.006 0.000 0.817 389 D CB 0.776 41.581 40.800 0.009 0.000 1.694 389 D HN -0.012 nan 8.370 nan 0.000 0.530 390 I N 0.059 120.639 120.570 0.017 0.000 3.067 390 I HA 0.855 5.025 4.170 -0.000 0.000 0.312 390 I C -0.116 176.029 176.117 0.045 0.000 1.073 390 I CA -0.790 60.532 61.300 0.037 0.000 1.016 390 I CB 1.921 39.948 38.000 0.045 0.000 1.227 390 I HN 0.254 nan 8.210 nan 0.000 0.456 391 T N 0.241 114.831 114.554 0.060 0.000 2.933 391 T HA 0.341 4.691 4.350 -0.000 0.000 0.305 391 T C 0.560 175.305 174.700 0.075 0.000 1.092 391 T CA -0.549 61.587 62.100 0.059 0.000 1.008 391 T CB 1.058 69.954 68.868 0.047 0.000 1.102 391 T HN 0.651 nan 8.240 nan 0.000 0.469 392 N N 1.816 120.561 118.700 0.074 0.000 2.247 392 N HA -0.156 4.584 4.740 -0.000 0.000 0.189 392 N C 1.504 177.048 175.510 0.056 0.000 1.009 392 N CA 1.344 54.439 53.050 0.075 0.000 0.872 392 N CB 0.100 38.625 38.487 0.063 0.000 0.980 392 N HN 0.742 nan 8.380 nan 0.000 0.436 393 E N 0.709 120.939 120.200 0.049 0.000 2.106 393 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 393 E C 1.862 178.494 176.600 0.053 0.000 0.984 393 E CA 1.221 57.646 56.400 0.042 0.000 0.806 393 E CB 0.183 29.906 29.700 0.039 0.000 0.750 393 E HN 0.406 nan 8.360 nan 0.000 0.458 394 S N 1.104 116.843 115.700 0.065 0.000 2.355 394 S HA -0.141 4.329 4.470 -0.000 0.000 0.222 394 S C 2.197 176.846 174.600 0.081 0.000 1.031 394 S CA 0.858 59.105 58.200 0.079 0.000 0.993 394 S CB -0.734 62.518 63.200 0.085 0.000 0.859 394 S HN 0.255 nan 8.310 nan 0.000 0.453 395 L N 1.460 122.734 121.223 0.085 0.000 2.043 395 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 395 L C 2.895 179.764 176.870 -0.003 0.000 1.075 395 L CA 1.861 56.734 54.840 0.056 0.000 0.752 395 L CB -0.853 41.268 42.059 0.102 0.000 0.891 395 L HN 0.396 nan 8.230 nan 0.000 0.432 396 E N 0.111 120.314 120.200 0.005 0.000 2.085 396 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 396 E C 2.300 178.892 176.600 -0.013 0.000 0.994 396 E CA 1.717 58.101 56.400 -0.027 0.000 0.801 396 E CB -0.041 29.647 29.700 -0.021 0.000 0.743 396 E HN 0.573 nan 8.360 nan 0.000 0.453 397 S N 0.803 116.533 115.700 0.051 0.000 2.387 397 S HA -0.078 4.392 4.470 -0.000 0.000 0.226 397 S C 2.048 176.744 174.600 0.160 0.000 1.026 397 S CA 0.428 58.715 58.200 0.145 0.000 0.972 397 S CB -0.235 63.096 63.200 0.219 0.000 0.814 397 S HN 0.124 nan 8.310 nan 0.000 0.477 398 I N 2.847 123.467 120.570 0.083 0.000 2.118 398 I HA -0.171 3.999 4.170 -0.000 0.000 0.241 398 I C 2.845 178.958 176.117 -0.007 0.000 1.070 398 I CA 1.887 63.214 61.300 0.044 0.000 1.327 398 I CB -1.990 35.976 38.000 -0.057 0.000 1.034 398 I HN 0.483 nan 8.210 nan 0.000 0.405 399 G N -0.449 108.310 108.800 -0.069 0.000 2.448 399 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 399 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 399 G C 1.775 176.612 174.900 -0.105 0.000 1.127 399 G CA 1.437 46.473 45.100 -0.107 0.000 0.766 399 G HN 0.432 nan 8.290 nan 0.000 0.552 400 T N -1.847 112.637 114.554 -0.117 0.000 2.976 400 T HA 0.090 4.440 4.350 -0.000 0.000 0.257 400 T C 2.000 176.526 174.700 -0.289 0.000 1.051 400 T CA 0.754 62.706 62.100 -0.248 0.000 1.141 400 T CB -0.124 68.524 68.868 -0.366 0.000 0.881 400 T HN 0.350 nan 8.240 nan 0.000 0.461 401 Y N 1.052 121.341 120.300 -0.019 0.000 2.301 401 Y HA 0.357 4.907 4.550 -0.000 0.000 0.295 401 Y C 0.820 176.722 175.900 0.004 0.000 1.126 401 Y CA -0.116 57.980 58.100 -0.005 0.000 1.154 401 Y CB 0.244 38.705 38.460 0.002 0.000 1.075 401 Y HN 0.162 nan 8.280 nan 0.000 0.534 402 L N 0.274 121.601 121.223 0.173 0.000 2.407 402 L HA 0.476 4.816 4.340 -0.000 0.000 0.261 402 L C -0.416 176.496 176.870 0.071 0.000 1.108 402 L CA -0.893 54.017 54.840 0.117 0.000 0.995 402 L CB -0.109 42.023 42.059 0.123 0.000 1.349 402 L HN -0.248 nan 8.230 nan 0.000 0.423 403 K N 1.781 122.212 120.400 0.052 0.000 2.343 403 K HA 0.105 4.425 4.320 -0.000 0.000 0.250 403 K C 1.017 177.649 176.600 0.053 0.000 1.087 403 K CA 0.600 56.907 56.287 0.033 0.000 0.853 403 K CB -0.001 32.511 32.500 0.020 0.000 1.133 403 K HN 0.816 nan 8.250 nan 0.000 0.509 404 N N -0.525 118.204 118.700 0.048 0.000 2.666 404 N HA -0.270 4.470 4.740 -0.000 0.000 0.249 404 N C -0.952 174.611 175.510 0.088 0.000 1.063 404 N CA 0.753 53.840 53.050 0.063 0.000 0.750 404 N CB -1.712 36.809 38.487 0.057 0.000 0.992 404 N HN 0.440 nan 8.380 nan 0.000 0.542 405 L N -0.413 120.868 121.223 0.096 0.000 2.360 405 L HA 0.104 4.444 4.340 -0.000 0.000 0.276 405 L C 0.851 177.808 176.870 0.145 0.000 1.121 405 L CA -0.411 54.510 54.840 0.135 0.000 0.845 405 L CB 0.577 42.721 42.059 0.141 0.000 1.143 405 L HN 0.425 nan 8.230 nan 0.000 0.452 406 C N 1.886 121.291 119.300 0.175 0.000 2.820 406 C HA 0.226 4.686 4.460 -0.000 0.000 0.323 406 C C 0.441 175.570 174.990 0.232 0.000 1.279 406 C CA -0.140 58.986 59.018 0.180 0.000 1.790 406 C CB -0.099 27.741 27.740 0.166 0.000 2.328 406 C HN 0.744 nan 8.230 nan 0.000 0.579 407 D N -0.119 120.430 120.400 0.248 0.000 2.763 407 D HA 0.357 4.997 4.640 -0.000 0.000 0.235 407 D C -1.721 174.673 176.300 0.157 0.000 1.334 407 D CA -0.096 54.052 54.000 0.246 0.000 0.950 407 D CB 1.107 42.076 40.800 0.283 0.000 1.433 407 D HN 0.176 nan 8.370 nan 0.000 0.580 408 F N 4.095 124.106 119.950 0.101 0.000 2.539 408 F HA 0.567 5.094 4.527 -0.000 0.000 0.318 408 F C -1.122 174.675 175.800 -0.006 0.000 1.135 408 F CA -0.537 57.490 58.000 0.045 0.000 0.915 408 F CB 1.130 40.248 39.000 0.195 0.000 1.176 408 F HN 0.185 nan 8.300 nan 0.000 0.440 409 R N 6.987 126.961 120.500 -0.876 0.000 2.538 409 R HA 0.640 4.980 4.340 -0.000 0.000 0.292 409 R C -2.092 173.681 176.300 -0.877 0.000 1.008 409 R CA -1.079 54.613 56.100 -0.679 0.000 0.896 409 R CB 2.415 32.512 30.300 -0.338 0.000 1.187 409 R HN 0.559 nan 8.270 nan 0.000 0.440 410 L N 3.691 124.516 121.223 -0.663 0.000 2.409 410 L HA 0.593 4.933 4.340 -0.000 0.000 0.272 410 L C -1.444 175.150 176.870 -0.459 0.000 0.980 410 L CA -0.773 53.754 54.840 -0.521 0.000 0.826 410 L CB 2.207 44.098 42.059 -0.280 0.000 1.268 410 L HN 0.447 nan 8.230 nan 0.000 0.407 411 V N 5.847 125.480 119.914 -0.467 0.000 2.531 411 V HA 0.408 4.528 4.120 -0.000 0.000 0.301 411 V C -0.373 175.593 176.094 -0.213 0.000 1.034 411 V CA -0.821 61.252 62.300 -0.377 0.000 0.865 411 V CB 1.997 33.381 31.823 -0.732 0.000 0.995 411 V HN 0.655 nan 8.190 nan 0.000 0.424 412 L N 4.691 125.852 121.223 -0.104 0.000 2.275 412 L HA 0.642 4.982 4.340 -0.000 0.000 0.288 412 L C -0.319 176.562 176.870 0.018 0.000 1.046 412 L CA -0.214 54.597 54.840 -0.048 0.000 0.805 412 L CB 0.486 42.505 42.059 -0.067 0.000 1.193 412 L HN 0.289 nan 8.230 nan 0.000 0.426 413 L N 2.738 123.989 121.223 0.046 0.000 2.489 413 L HA 0.065 4.405 4.340 -0.000 0.000 0.285 413 L C 1.060 177.942 176.870 0.019 0.000 1.259 413 L CA 0.618 55.495 54.840 0.062 0.000 0.828 413 L CB -0.140 41.951 42.059 0.054 0.000 1.094 413 L HN 0.729 nan 8.230 nan 0.000 0.524 414 D N -0.142 120.265 120.400 0.013 0.000 2.349 414 D HA 0.018 4.658 4.640 -0.000 0.000 0.214 414 D C 1.785 178.075 176.300 -0.018 0.000 1.063 414 D CA 0.034 54.021 54.000 -0.021 0.000 0.847 414 D CB 0.366 41.146 40.800 -0.034 0.000 0.933 414 D HN 0.331 nan 8.370 nan 0.000 0.513 415 R N 1.313 121.810 120.500 -0.006 0.000 2.088 415 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 415 R C 0.411 176.705 176.300 -0.010 0.000 1.136 415 R CA 1.148 57.244 56.100 -0.006 0.000 0.926 415 R CB -0.253 30.046 30.300 -0.003 0.000 0.837 415 R HN -0.012 nan 8.270 nan 0.000 0.429 416 E N 1.274 121.469 120.200 -0.009 0.000 2.442 416 E HA -0.079 4.271 4.350 -0.000 0.000 0.262 416 E C 0.839 177.431 176.600 -0.014 0.000 1.004 416 E CA 0.215 56.609 56.400 -0.009 0.000 0.928 416 E CB 0.616 30.312 29.700 -0.006 0.000 0.937 416 E HN 0.339 nan 8.360 nan 0.000 0.446 417 E N 2.170 122.363 120.200 -0.012 0.000 2.057 417 E HA -0.019 4.331 4.350 -0.000 0.000 0.190 417 E C 0.212 176.805 176.600 -0.012 0.000 0.969 417 E CA 0.813 57.205 56.400 -0.014 0.000 0.812 417 E CB 0.154 29.848 29.700 -0.010 0.000 0.777 417 E HN 0.313 nan 8.360 nan 0.000 0.455 418 R N 0.871 121.366 120.500 -0.007 0.000 2.265 418 R HA 0.397 4.737 4.340 -0.000 0.000 0.319 418 R C -0.550 175.748 176.300 -0.002 0.000 1.006 418 R CA -0.492 55.605 56.100 -0.004 0.000 0.880 418 R CB 0.976 31.276 30.300 -0.001 0.000 1.077 418 R HN -0.072 nan 8.270 nan 0.000 0.454 419 I N 2.328 122.897 120.570 -0.002 0.000 2.321 419 I HA 0.108 4.278 4.170 -0.000 0.000 0.291 419 I C 1.299 177.422 176.117 0.010 0.000 0.998 419 I CA 0.169 61.471 61.300 0.003 0.000 1.227 419 I CB 1.656 39.655 38.000 -0.001 0.000 1.368 419 I HN 0.681 nan 8.210 nan 0.000 0.466 420 T N 3.793 118.355 114.554 0.013 0.000 2.152 420 T HA -0.273 4.077 4.350 -0.000 0.000 0.194 420 T C 0.262 174.975 174.700 0.021 0.000 1.715 420 T CA 2.216 64.326 62.100 0.017 0.000 1.135 420 T CB -0.452 68.429 68.868 0.021 0.000 0.856 420 T HN 0.844 nan 8.240 nan 0.000 0.393 421 D N 0.450 120.867 120.400 0.028 0.000 2.278 421 D HA 0.489 5.129 4.640 -0.000 0.000 0.245 421 D C 0.444 176.768 176.300 0.040 0.000 1.052 421 D CA -0.732 53.288 54.000 0.033 0.000 0.834 421 D CB 1.038 41.859 40.800 0.036 0.000 1.194 421 D HN 0.034 nan 8.370 nan 0.000 0.481 422 L N 2.268 123.515 121.223 0.039 0.000 2.296 422 L HA 0.357 4.697 4.340 -0.000 0.000 0.193 422 L C -1.805 175.106 176.870 0.067 0.000 1.123 422 L CA 0.132 54.999 54.840 0.045 0.000 0.805 422 L CB -1.397 40.679 42.059 0.028 0.000 1.004 422 L HN 0.443 nan 8.230 nan 0.000 0.478 423 P HA -0.043 nan 4.420 nan 0.000 0.255 423 P C 0.324 177.689 177.300 0.109 0.000 1.173 423 P CA 1.026 64.175 63.100 0.082 0.000 0.780 423 P CB 0.003 31.741 31.700 0.063 0.000 0.758 424 L N 2.295 123.611 121.223 0.154 0.000 2.653 424 L HA 0.029 4.369 4.340 -0.000 0.000 0.231 424 L C 1.193 178.176 176.870 0.188 0.000 1.153 424 L CA 0.078 55.034 54.840 0.194 0.000 0.933 424 L CB -0.219 42.025 42.059 0.309 0.000 1.175 424 L HN 0.240 nan 8.230 nan 0.000 0.473 425 D N 0.605 121.110 120.400 0.176 0.000 2.133 425 D HA -0.238 4.402 4.640 -0.000 0.000 0.192 425 D C 1.605 178.063 176.300 0.263 0.000 1.001 425 D CA 1.458 55.605 54.000 0.245 0.000 0.844 425 D CB -0.151 40.782 40.800 0.222 0.000 0.944 425 D HN 0.295 nan 8.370 nan 0.000 0.447 426 N N 0.164 118.959 118.700 0.158 0.000 2.409 426 N HA -0.028 4.712 4.740 -0.000 0.000 0.179 426 N C 1.898 177.396 175.510 -0.021 0.000 1.032 426 N CA 0.935 54.011 53.050 0.043 0.000 0.898 426 N CB -0.112 38.396 38.487 0.036 0.000 0.971 426 N HN 0.262 nan 8.380 nan 0.000 0.441 427 G N 1.242 110.064 108.800 0.037 0.000 2.404 427 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.214 427 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.214 427 G C 1.700 176.597 174.900 -0.007 0.000 1.189 427 G CA 0.620 45.737 45.100 0.029 0.000 0.789 427 G HN 0.124 nan 8.290 nan 0.000 0.533 428 V N 1.344 121.273 119.914 0.026 0.000 2.278 428 V HA -0.275 3.845 4.120 -0.000 0.000 0.251 428 V C 2.778 178.776 176.094 -0.159 0.000 1.062 428 V CA 2.350 64.597 62.300 -0.088 0.000 1.038 428 V CB -0.640 31.076 31.823 -0.178 0.000 0.646 428 V HN 0.413 nan 8.190 nan 0.000 0.447 429 R N 0.747 121.147 120.500 -0.167 0.000 2.091 429 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 429 R C 2.424 178.448 176.300 -0.459 0.000 1.136 429 R CA 2.169 58.033 56.100 -0.393 0.000 0.959 429 R CB -0.301 29.599 30.300 -0.667 0.000 0.856 429 R HN 0.710 nan 8.270 nan 0.000 0.437 430 S N 0.824 116.333 115.700 -0.318 0.000 2.414 430 S HA -0.092 4.378 4.470 -0.000 0.000 0.227 430 S C 1.931 176.390 174.600 -0.235 0.000 1.022 430 S CA 0.462 58.492 58.200 -0.283 0.000 0.958 430 S CB -0.324 62.755 63.200 -0.203 0.000 0.797 430 S HN 0.266 nan 8.310 nan 0.000 0.493 431 L N 2.374 123.472 121.223 -0.208 0.000 1.989 431 L HA 0.091 4.431 4.340 -0.000 0.000 0.211 431 L C 2.073 178.801 176.870 -0.238 0.000 1.071 431 L CA 1.622 56.332 54.840 -0.216 0.000 0.749 431 L CB -1.264 40.661 42.059 -0.224 0.000 0.890 431 L HN 0.336 nan 8.230 nan 0.000 0.431 432 L N -1.073 119.987 121.223 -0.271 0.000 2.191 432 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 432 L C 2.476 179.237 176.870 -0.182 0.000 1.103 432 L CA 1.120 55.806 54.840 -0.256 0.000 0.769 432 L CB -0.370 41.540 42.059 -0.248 0.000 0.908 432 L HN 0.310 nan 8.230 nan 0.000 0.438 433 I N -0.869 119.556 120.570 -0.243 0.000 2.480 433 I HA -0.069 4.101 4.170 -0.000 0.000 0.251 433 I C 2.530 178.557 176.117 -0.149 0.000 1.124 433 I CA 1.046 62.213 61.300 -0.221 0.000 1.444 433 I CB -0.521 37.252 38.000 -0.378 0.000 1.098 433 I HN 0.199 nan 8.210 nan 0.000 0.428 434 G N 0.223 108.930 108.800 -0.156 0.000 2.396 434 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.214 434 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.214 434 G C 0.770 175.621 174.900 -0.082 0.000 1.166 434 G CA 0.160 45.190 45.100 -0.117 0.000 0.793 434 G HN 0.402 nan 8.290 nan 0.000 0.533 435 C N 2.459 121.707 119.300 -0.087 0.000 2.400 435 C HA 0.329 4.789 4.460 -0.000 0.000 0.457 435 C C 1.552 176.521 174.990 -0.036 0.000 1.020 435 C CA -0.916 58.073 59.018 -0.048 0.000 1.258 435 C CB -1.162 26.547 27.740 -0.052 0.000 1.532 435 C HN 0.597 nan 8.230 nan 0.000 0.537 436 K N 0.509 120.895 120.400 -0.023 0.000 2.417 436 K HA 0.088 4.408 4.320 -0.000 0.000 0.196 436 K C 1.017 177.622 176.600 0.009 0.000 1.023 436 K CA 0.303 56.581 56.287 -0.014 0.000 1.122 436 K CB 0.136 32.628 32.500 -0.014 0.000 0.850 436 K HN 0.499 nan 8.250 nan 0.000 0.521 437 K N 0.834 121.249 120.400 0.025 0.000 2.404 437 K HA 0.113 4.433 4.320 -0.000 0.000 0.194 437 K C -0.095 176.546 176.600 0.069 0.000 1.023 437 K CA -0.313 56.001 56.287 0.046 0.000 1.094 437 K CB 0.145 32.676 32.500 0.052 0.000 0.841 437 K HN 0.041 nan 8.250 nan 0.000 0.523 438 L N 1.879 123.140 121.223 0.065 0.000 2.562 438 L HA -0.046 4.294 4.340 -0.000 0.000 0.271 438 L C 1.128 178.074 176.870 0.127 0.000 1.167 438 L CA 0.763 55.666 54.840 0.106 0.000 0.917 438 L CB 0.230 42.330 42.059 0.068 0.000 1.187 438 L HN 0.031 nan 8.230 nan 0.000 0.482 439 R N 3.211 123.819 120.500 0.179 0.000 2.221 439 R HA 0.261 4.601 4.340 -0.000 0.000 0.195 439 R C -0.053 176.419 176.300 0.287 0.000 0.956 439 R CA 0.075 56.291 56.100 0.193 0.000 1.064 439 R CB 0.489 30.890 30.300 0.169 0.000 1.049 439 R HN 0.526 nan 8.270 nan 0.000 0.534 440 R N 0.220 120.940 120.500 0.366 0.000 2.621 440 R HA 0.378 4.717 4.340 -0.000 0.000 0.292 440 R C -1.571 175.060 176.300 0.552 0.000 0.969 440 R CA -0.621 55.819 56.100 0.566 0.000 0.887 440 R CB 2.144 32.828 30.300 0.641 0.000 1.180 440 R HN -0.131 nan 8.270 nan 0.000 0.450 441 F N 1.346 121.413 119.950 0.195 0.000 2.630 441 F HA 0.614 5.141 4.527 -0.000 0.000 0.325 441 F C -1.656 174.043 175.800 -0.167 0.000 1.184 441 F CA -0.485 57.572 58.000 0.094 0.000 1.011 441 F CB 1.831 40.888 39.000 0.095 0.000 1.268 441 F HN 0.668 nan 8.300 nan 0.000 0.480 442 A N 5.444 127.883 122.820 -0.635 0.000 2.356 442 A HA 0.818 5.138 4.320 -0.000 0.000 0.310 442 A C -2.240 175.020 177.584 -0.539 0.000 1.075 442 A CA -0.491 51.192 52.037 -0.591 0.000 0.746 442 A CB 0.941 19.769 19.000 -0.285 0.000 1.221 442 A HN 0.715 nan 8.150 nan 0.000 0.443 443 F N 2.335 121.967 119.950 -0.529 0.000 3.034 443 F HA 0.451 4.978 4.527 -0.000 0.000 0.371 443 F C -1.568 174.179 175.800 -0.088 0.000 1.233 443 F CA -0.331 57.478 58.000 -0.318 0.000 1.134 443 F CB 1.275 40.095 39.000 -0.299 0.000 1.495 443 F HN 0.588 nan 8.300 nan 0.000 0.563 444 Y N 6.998 127.101 120.300 -0.328 0.000 2.338 444 Y HA 0.681 5.231 4.550 0.000 0.000 0.328 444 Y C -1.085 174.712 175.900 -0.172 0.000 0.965 444 Y CA -0.518 57.480 58.100 -0.169 0.000 1.208 444 Y CB 0.763 39.116 38.460 -0.179 0.000 1.132 444 Y HN 0.495 nan 8.280 nan 0.000 0.469 445 L N 3.771 124.938 121.223 -0.094 0.000 2.818 445 L HA 0.657 4.997 4.340 -0.000 0.000 0.230 445 L C -0.429 176.379 176.870 -0.103 0.000 2.013 445 L CA -1.391 53.404 54.840 -0.074 0.000 2.420 445 L CB 0.989 43.009 42.059 -0.065 0.000 2.612 445 L HN 0.364 nan 8.230 nan 0.000 0.595 446 R N -0.711 119.716 120.500 -0.122 0.000 2.888 446 R HA 0.231 4.571 4.340 -0.000 0.000 0.264 446 R C 0.389 176.628 176.300 -0.101 0.000 1.045 446 R CA -0.585 55.361 56.100 -0.257 0.000 0.962 446 R CB 1.683 31.868 30.300 -0.192 0.000 1.210 446 R HN 0.379 nan 8.270 nan 0.000 0.479 447 Q N 0.959 120.697 119.800 -0.103 0.000 2.045 447 Q HA -0.105 4.235 4.340 -0.000 0.000 0.206 447 Q C 1.663 177.667 176.000 0.008 0.000 0.991 447 Q CA 2.607 58.412 55.803 0.003 0.000 0.851 447 Q CB -0.863 27.876 28.738 0.001 0.000 0.911 447 Q HN 0.926 nan 8.270 nan 0.000 0.418 448 G N -0.427 108.370 108.800 -0.006 0.000 2.537 448 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 448 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 448 G C 1.394 176.313 174.900 0.032 0.000 1.111 448 G CA 0.968 46.074 45.100 0.010 0.000 0.748 448 G HN 0.524 nan 8.290 nan 0.000 0.564 449 G N -0.336 108.486 108.800 0.037 0.000 2.440 449 G HA2 0.074 4.034 3.960 -0.000 0.000 0.218 449 G HA3 0.074 4.034 3.960 -0.000 0.000 0.218 449 G C 0.403 175.378 174.900 0.125 0.000 1.154 449 G CA 0.840 45.982 45.100 0.069 0.000 0.767 449 G HN 0.472 nan 8.290 nan 0.000 0.552 450 L N -0.086 121.208 121.223 0.118 0.000 2.445 450 L HA 0.546 4.886 4.340 -0.000 0.000 0.262 450 L C 0.072 176.989 176.870 0.079 0.000 0.974 450 L CA -0.499 54.420 54.840 0.131 0.000 0.822 450 L CB 2.403 44.577 42.059 0.192 0.000 1.339 450 L HN 0.156 nan 8.230 nan 0.000 0.409 451 T N -1.481 113.104 114.554 0.052 0.000 2.927 451 T HA 0.321 4.671 4.350 -0.000 0.000 0.281 451 T C 0.550 175.249 174.700 -0.001 0.000 0.998 451 T CA -0.498 61.616 62.100 0.022 0.000 1.019 451 T CB 1.040 69.910 68.868 0.003 0.000 1.061 451 T HN 0.591 nan 8.240 nan 0.000 0.518 452 D N 0.272 120.674 120.400 0.003 0.000 2.203 452 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 452 D C 1.814 178.057 176.300 -0.095 0.000 0.997 452 D CA 0.723 54.716 54.000 -0.013 0.000 0.863 452 D CB -0.167 40.633 40.800 -0.001 0.000 0.928 452 D HN 0.423 nan 8.370 nan 0.000 0.458 453 L N 0.370 121.499 121.223 -0.156 0.000 2.056 453 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 453 L C 2.172 178.663 176.870 -0.633 0.000 1.078 453 L CA 1.831 56.460 54.840 -0.351 0.000 0.749 453 L CB -0.917 40.967 42.059 -0.292 0.000 0.901 453 L HN 0.098 nan 8.230 nan 0.000 0.433 454 G N 0.033 108.624 108.800 -0.349 0.000 2.418 454 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 454 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 454 G C 1.673 176.547 174.900 -0.042 0.000 1.158 454 G CA 0.671 45.668 45.100 -0.170 0.000 0.771 454 G HN 0.365 nan 8.290 nan 0.000 0.545 455 L N 1.249 122.461 121.223 -0.019 0.000 2.043 455 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 455 L C 3.267 180.212 176.870 0.125 0.000 1.075 455 L CA 1.930 56.804 54.840 0.056 0.000 0.752 455 L CB -0.262 41.819 42.059 0.037 0.000 0.891 455 L HN 0.472 nan 8.230 nan 0.000 0.432 456 S N -1.371 114.334 115.700 0.007 0.000 2.402 456 S HA -0.227 4.243 4.470 -0.000 0.000 0.229 456 S C 1.925 176.594 174.600 0.115 0.000 1.021 456 S CA 0.784 59.002 58.200 0.029 0.000 0.974 456 S CB -0.672 62.491 63.200 -0.062 0.000 0.800 456 S HN 0.543 nan 8.310 nan 0.000 0.484 457 Y N 1.170 121.522 120.300 0.086 0.000 2.181 457 Y HA -0.058 4.492 4.550 -0.000 0.000 0.288 457 Y C 2.445 178.419 175.900 0.123 0.000 1.146 457 Y CA 1.078 59.267 58.100 0.149 0.000 1.164 457 Y CB -0.273 38.273 38.460 0.142 0.000 0.982 457 Y HN 0.280 nan 8.280 nan 0.000 0.515 458 I N -0.366 120.354 120.570 0.250 0.000 2.179 458 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 458 I C 2.672 178.839 176.117 0.083 0.000 1.088 458 I CA 1.501 62.879 61.300 0.130 0.000 1.357 458 I CB -0.830 37.288 38.000 0.196 0.000 1.051 458 I HN 0.246 nan 8.210 nan 0.000 0.409 459 G N -0.490 108.366 108.800 0.093 0.000 2.432 459 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 459 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 459 G C 1.596 176.369 174.900 -0.212 0.000 1.135 459 G CA 0.445 45.407 45.100 -0.230 0.000 0.767 459 G HN 0.394 nan 8.290 nan 0.000 0.550 460 Q N -1.144 118.555 119.800 -0.168 0.000 2.163 460 Q HA 0.072 4.412 4.340 -0.000 0.000 0.198 460 Q C 0.692 176.361 176.000 -0.553 0.000 0.954 460 Q CA 0.518 56.088 55.803 -0.389 0.000 0.851 460 Q CB 0.126 28.574 28.738 -0.482 0.000 0.928 460 Q HN 0.649 nan 8.270 nan 0.000 0.459 461 Y N -0.353 119.896 120.300 -0.086 0.000 2.751 461 Y HA 0.224 4.774 4.550 -0.000 0.000 0.289 461 Y C -0.126 175.679 175.900 -0.159 0.000 1.110 461 Y CA -0.482 57.543 58.100 -0.124 0.000 1.251 461 Y CB 1.022 39.392 38.460 -0.151 0.000 1.178 461 Y HN 0.003 nan 8.280 nan 0.000 0.540 462 S N -1.440 114.218 115.700 -0.071 0.000 2.399 462 S HA 0.237 4.707 4.470 -0.000 0.000 0.198 462 S C -2.191 172.368 174.600 -0.068 0.000 1.294 462 S CA -1.082 57.060 58.200 -0.096 0.000 1.237 462 S CB 0.542 63.648 63.200 -0.156 0.000 1.286 462 S HN 0.062 nan 8.310 nan 0.000 0.404 463 P HA -0.020 nan 4.420 nan 0.000 0.222 463 P C 0.306 177.600 177.300 -0.010 0.000 1.147 463 P CA 0.946 64.022 63.100 -0.040 0.000 0.790 463 P CB 0.028 31.709 31.700 -0.032 0.000 0.780 464 N N -0.685 118.018 118.700 0.005 0.000 2.236 464 N HA 0.068 4.808 4.740 -0.000 0.000 0.196 464 N C -0.009 175.540 175.510 0.066 0.000 1.114 464 N CA 0.028 53.099 53.050 0.035 0.000 0.859 464 N CB 0.673 39.183 38.487 0.038 0.000 0.982 464 N HN 0.023 nan 8.380 nan 0.000 0.493 465 V N 1.741 121.690 119.914 0.059 0.000 2.427 465 V HA 0.130 4.250 4.120 -0.000 0.000 0.268 465 V C 1.340 177.519 176.094 0.142 0.000 1.046 465 V CA 0.040 62.408 62.300 0.113 0.000 0.970 465 V CB 1.306 33.185 31.823 0.094 0.000 1.001 465 V HN -0.001 nan 8.190 nan 0.000 0.476 466 R N 3.127 123.746 120.500 0.197 0.000 2.112 466 R HA 0.114 4.454 4.340 -0.000 0.000 0.216 466 R C 0.063 176.550 176.300 0.311 0.000 1.080 466 R CA 0.433 56.663 56.100 0.217 0.000 0.996 466 R CB 0.341 30.760 30.300 0.198 0.000 0.902 466 R HN 0.740 nan 8.270 nan 0.000 0.449 467 W N 0.372 121.760 121.300 0.146 0.000 2.785 467 W HA 0.579 5.239 4.660 0.000 0.000 0.333 467 W C -1.597 175.049 176.519 0.211 0.000 1.062 467 W CA -0.825 56.612 57.345 0.153 0.000 1.233 467 W CB 1.132 30.654 29.460 0.103 0.000 1.413 467 W HN -0.248 nan 8.180 nan 0.000 0.489 468 M N 6.902 126.134 119.600 -0.613 0.000 2.326 468 M HA 0.343 4.823 4.480 -0.000 0.000 0.292 468 M C -1.610 174.160 176.300 -0.884 0.000 1.081 468 M CA -1.172 53.713 55.300 -0.692 0.000 0.919 468 M CB 2.068 34.648 32.600 -0.033 0.000 1.634 468 M HN 0.414 nan 8.290 nan 0.000 0.451 469 L N 5.505 126.165 121.223 -0.938 0.000 2.294 469 L HA 0.629 4.969 4.340 -0.000 0.000 0.283 469 L C -1.828 174.933 176.870 -0.181 0.000 1.015 469 L CA -0.145 54.466 54.840 -0.382 0.000 0.831 469 L CB 0.834 42.778 42.059 -0.192 0.000 1.217 469 L HN 0.640 nan 8.230 nan 0.000 0.420 470 L N 5.689 126.864 121.223 -0.081 0.000 2.282 470 L HA 0.607 4.947 4.340 -0.000 0.000 0.288 470 L C 1.130 177.926 176.870 -0.124 0.000 1.033 470 L CA -0.363 54.443 54.840 -0.056 0.000 0.807 470 L CB 1.459 43.467 42.059 -0.084 0.000 1.209 470 L HN 0.783 nan 8.230 nan 0.000 0.423 471 G N 1.534 110.220 108.800 -0.191 0.000 2.832 471 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.187 471 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.187 471 G C -0.206 174.327 174.900 -0.611 0.000 1.817 471 G CA 0.273 44.955 45.100 -0.696 0.000 0.896 471 G HN 0.497 nan 8.290 nan 0.000 0.453 472 Y N 1.039 121.059 120.300 -0.467 0.000 2.696 472 Y HA 0.412 4.962 4.550 -0.000 0.000 0.378 472 Y C 0.702 176.494 175.900 -0.179 0.000 1.012 472 Y CA -1.059 56.851 58.100 -0.317 0.000 1.396 472 Y CB 0.326 38.618 38.460 -0.279 0.000 1.415 472 Y HN 0.248 nan 8.280 nan 0.000 0.569 473 V N -1.545 118.332 119.914 -0.062 0.000 3.134 473 V HA 0.977 5.097 4.120 -0.000 0.000 0.313 473 V C 0.758 176.869 176.094 0.029 0.000 1.069 473 V CA -0.277 62.047 62.300 0.040 0.000 1.048 473 V CB 0.909 32.791 31.823 0.097 0.000 1.119 473 V HN 0.650 nan 8.190 nan 0.000 0.461 474 G N 2.238 111.097 108.800 0.097 0.000 2.860 474 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.553 474 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.553 474 G C -0.129 174.811 174.900 0.066 0.000 1.439 474 G CA 0.466 45.650 45.100 0.139 0.000 0.879 474 G HN 1.093 nan 8.290 nan 0.000 0.545 475 E N -0.632 119.624 120.200 0.093 0.000 2.399 475 E HA 0.346 4.696 4.350 -0.000 0.000 0.206 475 E C 1.160 177.803 176.600 0.071 0.000 0.812 475 E CA 0.552 56.981 56.400 0.049 0.000 1.138 475 E CB 0.852 30.575 29.700 0.038 0.000 1.140 475 E HN 1.092 nan 8.360 nan 0.000 0.536 476 S N -0.172 115.616 115.700 0.146 0.000 2.705 476 S HA 0.202 4.672 4.470 -0.000 0.000 0.280 476 S C -0.296 174.459 174.600 0.259 0.000 1.174 476 S CA -0.686 57.615 58.200 0.168 0.000 0.823 476 S CB 1.392 64.644 63.200 0.088 0.000 1.162 476 S HN -0.185 nan 8.310 nan 0.000 0.487 477 D N 1.014 121.535 120.400 0.201 0.000 2.228 477 D HA -0.086 4.554 4.640 -0.000 0.000 0.203 477 D C 1.590 177.878 176.300 -0.019 0.000 0.988 477 D CA 1.196 55.251 54.000 0.091 0.000 0.864 477 D CB -0.176 40.663 40.800 0.064 0.000 0.928 477 D HN 0.562 nan 8.370 nan 0.000 0.469 478 E N 0.183 120.392 120.200 0.016 0.000 2.130 478 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 478 E C 2.176 178.758 176.600 -0.031 0.000 0.998 478 E CA 1.225 57.620 56.400 -0.009 0.000 0.806 478 E CB -0.405 29.298 29.700 0.005 0.000 0.738 478 E HN 0.428 nan 8.360 nan 0.000 0.459 479 G N 0.983 109.773 108.800 -0.017 0.000 2.394 479 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.215 479 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.215 479 G C 1.613 176.430 174.900 -0.137 0.000 1.165 479 G CA 0.471 45.554 45.100 -0.028 0.000 0.784 479 G HN 0.204 nan 8.290 nan 0.000 0.535 480 L N 0.540 121.508 121.223 -0.424 0.000 1.994 480 L HA 0.053 4.393 4.340 -0.000 0.000 0.208 480 L C 2.691 179.462 176.870 -0.166 0.000 1.071 480 L CA 2.025 56.505 54.840 -0.601 0.000 0.745 480 L CB -0.408 40.957 42.059 -1.158 0.000 0.892 480 L HN 0.253 nan 8.230 nan 0.000 0.431 481 M N -1.200 118.314 119.600 -0.145 0.000 2.108 481 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 481 M C 2.058 178.340 176.300 -0.032 0.000 1.066 481 M CA 1.777 57.036 55.300 -0.067 0.000 1.107 481 M CB -0.310 32.253 32.600 -0.061 0.000 1.356 481 M HN 0.317 nan 8.290 nan 0.000 0.406 482 E N 0.006 120.193 120.200 -0.022 0.000 2.051 482 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 482 E C 1.752 178.357 176.600 0.008 0.000 0.991 482 E CA 1.374 57.765 56.400 -0.015 0.000 0.799 482 E CB -0.794 28.893 29.700 -0.021 0.000 0.748 482 E HN 0.625 nan 8.360 nan 0.000 0.449 483 F N 2.358 122.242 119.950 -0.111 0.000 2.091 483 F HA -0.273 4.254 4.527 -0.000 0.000 0.299 483 F C 2.496 178.243 175.800 -0.088 0.000 1.103 483 F CA 2.174 60.117 58.000 -0.095 0.000 1.228 483 F CB -0.463 38.471 39.000 -0.110 0.000 0.984 483 F HN 0.017 nan 8.300 nan 0.000 0.477 484 S N 1.057 116.728 115.700 -0.049 0.000 2.500 484 S HA -0.220 4.250 4.470 -0.000 0.000 0.239 484 S C 1.809 176.297 174.600 -0.187 0.000 0.989 484 S CA 0.799 58.913 58.200 -0.144 0.000 0.951 484 S CB -0.943 62.249 63.200 -0.013 0.000 0.759 484 S HN 0.737 nan 8.310 nan 0.000 0.523 485 R N 0.448 120.847 120.500 -0.167 0.000 2.334 485 R HA 0.415 4.755 4.340 -0.000 0.000 0.220 485 R C 1.057 177.247 176.300 -0.182 0.000 0.917 485 R CA 0.307 56.321 56.100 -0.144 0.000 1.073 485 R CB -0.256 29.983 30.300 -0.101 0.000 1.056 485 R HN 0.363 nan 8.270 nan 0.000 0.506 486 G N 0.089 108.725 108.800 -0.273 0.000 3.039 486 G HA2 0.296 4.256 3.960 -0.000 0.000 0.159 486 G HA3 0.296 4.256 3.960 -0.000 0.000 0.159 486 G C -0.550 174.168 174.900 -0.303 0.000 1.284 486 G CA -0.194 44.738 45.100 -0.280 0.000 0.996 486 G HN 0.309 nan 8.290 nan 0.000 0.592 487 C N 0.425 119.548 119.300 -0.295 0.000 3.690 487 C HA -0.088 4.372 4.460 -0.000 0.000 0.295 487 C C -0.913 173.997 174.990 -0.134 0.000 1.283 487 C CA -0.309 58.568 59.018 -0.235 0.000 2.212 487 C CB -2.114 25.405 27.740 -0.368 0.000 1.407 487 C HN 0.575 nan 8.230 nan 0.000 0.595 488 P HA -0.107 nan 4.420 nan 0.000 0.218 488 P C 0.711 177.998 177.300 -0.022 0.000 1.148 488 P CA 1.699 64.763 63.100 -0.061 0.000 0.822 488 P CB 0.035 31.703 31.700 -0.054 0.000 0.784 489 N N -1.565 117.131 118.700 -0.006 0.000 2.235 489 N HA 0.154 4.894 4.740 -0.000 0.000 0.231 489 N C -0.227 175.326 175.510 0.072 0.000 1.177 489 N CA -0.300 52.772 53.050 0.037 0.000 0.874 489 N CB 0.228 38.741 38.487 0.043 0.000 1.097 489 N HN 0.038 nan 8.380 nan 0.000 0.518 490 L N 1.725 122.984 121.223 0.060 0.000 2.433 490 L HA 0.053 4.393 4.340 -0.000 0.000 0.275 490 L C 0.816 177.784 176.870 0.162 0.000 1.128 490 L CA 0.553 55.460 54.840 0.111 0.000 0.875 490 L CB 0.799 42.906 42.059 0.080 0.000 1.171 490 L HN 0.335 nan 8.230 nan 0.000 0.463 491 Q N 3.188 123.114 119.800 0.210 0.000 2.304 491 Q HA 0.069 4.409 4.340 -0.000 0.000 0.204 491 Q C 0.119 176.311 176.000 0.319 0.000 0.936 491 Q CA 0.624 56.576 55.803 0.249 0.000 0.878 491 Q CB 0.712 29.585 28.738 0.226 0.000 0.983 491 Q HN 0.459 nan 8.270 nan 0.000 0.516 492 K N 1.015 121.615 120.400 0.333 0.000 2.413 492 K HA 0.383 4.703 4.320 -0.000 0.000 0.257 492 K C -1.922 174.903 176.600 0.375 0.000 0.946 492 K CA -0.511 56.013 56.287 0.394 0.000 0.823 492 K CB 1.314 34.010 32.500 0.325 0.000 1.109 492 K HN -0.074 nan 8.250 nan 0.000 0.427 493 L N 3.504 124.961 121.223 0.389 0.000 2.376 493 L HA 0.449 4.789 4.340 -0.000 0.000 0.275 493 L C -1.473 175.594 176.870 0.328 0.000 0.987 493 L CA 0.008 55.014 54.840 0.278 0.000 0.828 493 L CB 1.769 43.994 42.059 0.277 0.000 1.249 493 L HN 0.643 nan 8.230 nan 0.000 0.409 494 E N 6.276 126.625 120.200 0.249 0.000 2.145 494 E HA 0.607 4.957 4.350 -0.000 0.000 0.270 494 E C -1.171 175.549 176.600 0.199 0.000 0.906 494 E CA -0.361 56.269 56.400 0.383 0.000 0.761 494 E CB 1.809 31.801 29.700 0.488 0.000 1.116 494 E HN 0.601 nan 8.360 nan 0.000 0.408 495 M N 3.376 123.054 119.600 0.130 0.000 2.327 495 M HA 0.473 4.953 4.480 -0.000 0.000 0.298 495 M C -0.518 175.727 176.300 -0.091 0.000 1.065 495 M CA -0.756 54.541 55.300 -0.005 0.000 0.916 495 M CB 2.413 34.998 32.600 -0.024 0.000 1.630 495 M HN 0.432 nan 8.290 nan 0.000 0.442 496 R N 0.730 121.150 120.500 -0.134 0.000 2.808 496 R HA 0.788 5.128 4.340 -0.000 0.000 0.272 496 R C 0.224 176.200 176.300 -0.541 0.000 0.995 496 R CA 0.016 55.986 56.100 -0.217 0.000 0.917 496 R CB 1.771 32.072 30.300 0.001 0.000 1.217 496 R HN 0.848 nan 8.270 nan 0.000 0.471 497 G N 0.720 109.171 108.800 -0.581 0.000 2.249 497 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.273 497 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.273 497 G C -0.294 174.059 174.900 -0.912 0.000 1.036 497 G CA 0.428 44.905 45.100 -1.039 0.000 0.824 497 G HN 0.624 nan 8.290 nan 0.000 0.504 498 C N -0.865 118.080 119.300 -0.592 0.000 2.397 498 C HA 0.538 4.998 4.460 -0.000 0.000 0.343 498 C C 2.315 176.950 174.990 -0.592 0.000 1.188 498 C CA -0.229 58.373 59.018 -0.694 0.000 1.992 498 C CB 0.953 28.177 27.740 -0.860 0.000 2.358 498 C HN 0.811 nan 8.230 nan 0.000 0.518 499 C N -0.667 118.207 119.300 -0.710 0.000 2.464 499 C HA 0.120 4.580 4.460 -0.000 0.000 0.278 499 C C 1.110 175.970 174.990 -0.217 0.000 1.375 499 C CA -0.421 58.373 59.018 -0.372 0.000 1.761 499 C CB -1.909 25.676 27.740 -0.258 0.000 1.944 499 C HN 0.767 nan 8.230 nan 0.000 0.509 500 F N 3.728 123.669 119.950 -0.016 0.000 2.628 500 F HA 0.107 4.634 4.527 -0.000 0.000 0.362 500 F C 1.346 177.176 175.800 0.050 0.000 1.106 500 F CA 0.426 58.427 58.000 0.002 0.000 1.333 500 F CB 0.079 39.065 39.000 -0.023 0.000 0.996 500 F HN 0.315 nan 8.300 nan 0.000 0.608 501 S N 1.216 117.063 115.700 0.245 0.000 2.669 501 S HA 0.208 4.678 4.470 -0.000 0.000 0.270 501 S C 0.802 175.504 174.600 0.170 0.000 1.225 501 S CA -0.822 57.484 58.200 0.178 0.000 0.991 501 S CB 1.493 64.762 63.200 0.116 0.000 0.987 501 S HN 0.729 nan 8.310 nan 0.000 0.552 502 E N 1.172 121.479 120.200 0.178 0.000 2.048 502 E HA -0.247 4.103 4.350 -0.000 0.000 0.202 502 E C 2.336 178.969 176.600 0.055 0.000 1.021 502 E CA 1.629 58.099 56.400 0.116 0.000 0.825 502 E CB -0.263 29.519 29.700 0.137 0.000 0.756 502 E HN 0.714 nan 8.360 nan 0.000 0.454 503 R N 1.209 121.741 120.500 0.054 0.000 2.152 503 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 503 R C 1.944 178.253 176.300 0.014 0.000 1.117 503 R CA 1.401 57.518 56.100 0.028 0.000 0.981 503 R CB -0.395 29.920 30.300 0.025 0.000 0.870 503 R HN 0.133 nan 8.270 nan 0.000 0.451 504 A N 2.339 125.174 122.820 0.025 0.000 1.872 504 A HA 0.008 4.328 4.320 -0.000 0.000 0.214 504 A C 2.405 179.970 177.584 -0.032 0.000 1.187 504 A CA 1.099 53.132 52.037 -0.007 0.000 0.614 504 A CB -0.269 18.736 19.000 0.009 0.000 0.826 504 A HN 0.218 nan 8.150 nan 0.000 0.442 505 I N 0.281 120.848 120.570 -0.005 0.000 2.091 505 I HA -0.326 3.844 4.170 -0.000 0.000 0.239 505 I C 3.000 179.109 176.117 -0.014 0.000 1.061 505 I CA 1.782 63.071 61.300 -0.018 0.000 1.317 505 I CB -1.644 36.327 38.000 -0.048 0.000 1.031 505 I HN 0.371 nan 8.210 nan 0.000 0.401 506 A N 0.913 123.727 122.820 -0.009 0.000 1.917 506 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 506 A C 2.530 180.096 177.584 -0.030 0.000 1.182 506 A CA 2.483 54.516 52.037 -0.007 0.000 0.633 506 A CB -0.812 18.189 19.000 0.002 0.000 0.819 506 A HN 0.506 nan 8.150 nan 0.000 0.448 507 A N -0.676 122.126 122.820 -0.029 0.000 1.970 507 A HA 0.325 4.645 4.320 -0.000 0.000 0.216 507 A C 2.439 179.995 177.584 -0.047 0.000 1.170 507 A CA 1.615 53.629 52.037 -0.039 0.000 0.645 507 A CB -0.807 18.173 19.000 -0.033 0.000 0.816 507 A HN 1.016 nan 8.150 nan 0.000 0.447 508 A N -0.450 122.346 122.820 -0.040 0.000 1.930 508 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 508 A C 2.171 179.741 177.584 -0.023 0.000 1.175 508 A CA 1.624 53.646 52.037 -0.025 0.000 0.627 508 A CB -0.795 18.201 19.000 -0.006 0.000 0.815 508 A HN 0.328 nan 8.150 nan 0.000 0.443 509 V N -0.178 119.716 119.914 -0.033 0.000 2.343 509 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 509 V C 2.745 178.744 176.094 -0.157 0.000 1.051 509 V CA 2.486 64.739 62.300 -0.079 0.000 1.036 509 V CB -1.175 30.594 31.823 -0.089 0.000 0.654 509 V HN 0.610 nan 8.190 nan 0.000 0.451 510 T N -0.652 113.818 114.554 -0.141 0.000 2.759 510 T HA -0.237 4.113 4.350 -0.000 0.000 0.269 510 T C 1.940 176.582 174.700 -0.097 0.000 1.042 510 T CA 1.600 63.619 62.100 -0.134 0.000 1.140 510 T CB -0.192 68.617 68.868 -0.099 0.000 0.864 510 T HN 0.424 nan 8.240 nan 0.000 0.455 511 K N 0.172 120.526 120.400 -0.078 0.000 2.228 511 K HA 0.157 4.477 4.320 -0.000 0.000 0.202 511 K C 0.275 176.832 176.600 -0.073 0.000 1.051 511 K CA 0.287 56.532 56.287 -0.070 0.000 0.960 511 K CB -0.084 32.375 32.500 -0.068 0.000 0.743 511 K HN 0.289 nan 8.250 nan 0.000 0.458 512 L N 3.121 124.303 121.223 -0.068 0.000 2.385 512 L HA 0.060 4.400 4.340 -0.000 0.000 0.281 512 L C -1.369 175.483 176.870 -0.031 0.000 1.106 512 L CA -1.264 53.542 54.840 -0.056 0.000 0.856 512 L CB 0.530 42.575 42.059 -0.025 0.000 1.186 512 L HN 0.056 nan 8.230 nan 0.000 0.453 513 P HA -0.137 nan 4.420 nan 0.000 0.215 513 P C 1.069 178.391 177.300 0.035 0.000 1.153 513 P CA 1.116 64.212 63.100 -0.007 0.000 0.853 513 P CB 0.430 32.120 31.700 -0.018 0.000 0.788 514 S N -1.090 114.642 115.700 0.053 0.000 2.524 514 S HA 0.123 4.593 4.470 -0.000 0.000 0.215 514 S C 0.767 175.472 174.600 0.174 0.000 0.986 514 S CA -0.505 57.756 58.200 0.102 0.000 0.911 514 S CB -0.524 62.730 63.200 0.089 0.000 0.805 514 S HN 0.003 nan 8.310 nan 0.000 0.501 515 L N 3.584 124.905 121.223 0.164 0.000 2.559 515 L HA 0.075 4.415 4.340 -0.000 0.000 0.274 515 L C 0.975 178.071 176.870 0.376 0.000 1.205 515 L CA 0.663 55.646 54.840 0.238 0.000 0.907 515 L CB 0.437 42.597 42.059 0.167 0.000 1.153 515 L HN 0.199 nan 8.230 nan 0.000 0.490 516 R N 3.107 123.897 120.500 0.483 0.000 2.531 516 R HA 0.248 4.588 4.340 -0.000 0.000 0.316 516 R C -0.754 175.926 176.300 0.633 0.000 0.955 516 R CA -0.439 56.049 56.100 0.648 0.000 1.120 516 R CB 0.061 30.713 30.300 0.587 0.000 1.361 516 R HN 0.494 nan 8.270 nan 0.000 0.534 517 Y N 0.562 121.115 120.300 0.421 0.000 2.442 517 Y HA 0.543 5.093 4.550 -0.000 0.000 0.330 517 Y C -2.117 173.983 175.900 0.334 0.000 1.100 517 Y CA -1.512 56.788 58.100 0.333 0.000 1.034 517 Y CB 2.189 40.821 38.460 0.287 0.000 1.285 517 Y HN 0.038 nan 8.280 nan 0.000 0.440 518 L N 7.165 128.560 121.223 0.287 0.000 2.438 518 L HA 0.566 4.906 4.340 -0.000 0.000 0.270 518 L C -2.201 174.826 176.870 0.261 0.000 0.972 518 L CA -0.508 54.534 54.840 0.336 0.000 0.831 518 L CB 1.610 43.832 42.059 0.272 0.000 1.273 518 L HN 0.720 nan 8.230 nan 0.000 0.405 519 W N 7.518 128.937 121.300 0.198 0.000 2.781 519 W HA 0.779 5.439 4.660 0.000 0.000 0.333 519 W C -2.373 174.191 176.519 0.075 0.000 1.047 519 W CA -0.785 56.631 57.345 0.118 0.000 1.236 519 W CB 1.821 31.404 29.460 0.205 0.000 1.394 519 W HN 0.372 nan 8.180 nan 0.000 0.466 520 V N 5.546 124.997 119.914 -0.771 0.000 2.733 520 V HA 0.311 4.431 4.120 -0.000 0.000 0.306 520 V C -0.649 174.949 176.094 -0.826 0.000 1.084 520 V CA -0.655 61.244 62.300 -0.668 0.000 0.905 520 V CB 1.798 33.414 31.823 -0.344 0.000 1.010 520 V HN 0.620 nan 8.190 nan 0.000 0.424 521 Q N 2.290 121.711 119.800 -0.631 0.000 2.353 521 Q HA 0.645 4.985 4.340 -0.000 0.000 0.268 521 Q C 0.030 175.994 176.000 -0.059 0.000 1.045 521 Q CA 0.099 55.737 55.803 -0.275 0.000 0.811 521 Q CB 2.100 30.671 28.738 -0.279 0.000 1.305 521 Q HN 1.416 nan 8.270 nan 0.000 0.447 522 G N 3.153 111.991 108.800 0.063 0.000 3.429 522 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.605 522 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.605 522 G C -1.366 173.572 174.900 0.063 0.000 0.973 522 G CA 0.131 45.212 45.100 -0.032 0.000 0.774 522 G HN 0.860 nan 8.290 nan 0.000 0.422 523 Y N -1.337 118.901 120.300 -0.103 0.000 2.573 523 Y HA 0.696 5.246 4.550 -0.000 0.000 0.328 523 Y C -0.094 175.778 175.900 -0.045 0.000 1.170 523 Y CA -1.944 56.109 58.100 -0.078 0.000 1.078 523 Y CB 0.802 39.234 38.460 -0.047 0.000 1.341 523 Y HN 0.530 nan 8.280 nan 0.000 0.459 524 R N 2.436 122.959 120.500 0.039 0.000 2.540 524 R HA 0.439 4.779 4.340 -0.000 0.000 0.317 524 R C 0.490 176.798 176.300 0.013 0.000 1.233 524 R CA 0.578 56.669 56.100 -0.015 0.000 1.003 524 R CB -0.111 30.209 30.300 0.034 0.000 1.034 524 R HN 0.800 nan 8.270 nan 0.000 0.483 525 A N 2.392 125.110 122.820 -0.169 0.000 2.311 525 A HA 0.485 4.805 4.320 -0.000 0.000 0.272 525 A C 0.005 177.592 177.584 0.005 0.000 1.438 525 A CA -0.018 51.962 52.037 -0.096 0.000 0.819 525 A CB 0.493 19.324 19.000 -0.282 0.000 1.336 525 A HN 0.673 nan 8.150 nan 0.000 0.528 526 S N -3.513 112.198 115.700 0.019 0.000 2.605 526 S HA 0.233 4.703 4.470 -0.000 0.000 0.324 526 S C -0.015 174.599 174.600 0.022 0.000 0.978 526 S CA 0.200 58.411 58.200 0.018 0.000 0.864 526 S CB 0.030 63.250 63.200 0.033 0.000 1.095 526 S HN 1.007 nan 8.310 nan 0.000 0.460 527 M N 3.184 122.788 119.600 0.007 0.000 2.192 527 M HA -0.102 4.378 4.480 -0.000 0.000 0.259 527 M C 1.929 178.240 176.300 0.018 0.000 1.071 527 M CA 2.792 58.098 55.300 0.009 0.000 1.082 527 M CB -1.435 31.166 32.600 0.002 0.000 1.373 527 M HN 0.930 nan 8.290 nan 0.000 0.408 528 T N -0.284 114.281 114.554 0.019 0.000 2.624 528 T HA -0.205 4.145 4.350 -0.000 0.000 0.266 528 T C 1.767 176.484 174.700 0.028 0.000 1.050 528 T CA 2.314 64.427 62.100 0.022 0.000 1.163 528 T CB -1.392 67.490 68.868 0.023 0.000 0.861 528 T HN 0.784 nan 8.240 nan 0.000 0.443 529 G N 0.269 109.093 108.800 0.041 0.000 2.396 529 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.242 529 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.242 529 G C 0.837 175.764 174.900 0.046 0.000 1.069 529 G CA 0.519 45.649 45.100 0.050 0.000 0.633 529 G HN 0.495 nan 8.290 nan 0.000 0.517 530 Q N 0.821 120.642 119.800 0.035 0.000 2.515 530 Q HA 0.094 4.434 4.340 -0.000 0.000 0.214 530 Q C 1.390 177.408 176.000 0.030 0.000 0.971 530 Q CA 1.482 57.303 55.803 0.029 0.000 0.952 530 Q CB -0.040 28.711 28.738 0.021 0.000 0.999 530 Q HN 0.765 nan 8.270 nan 0.000 0.524 531 D N -0.676 119.747 120.400 0.039 0.000 2.277 531 D HA 0.015 4.655 4.640 -0.000 0.000 0.209 531 D C 1.674 177.994 176.300 0.034 0.000 0.970 531 D CA 0.109 54.131 54.000 0.037 0.000 0.874 531 D CB 0.209 41.037 40.800 0.047 0.000 0.982 531 D HN 0.111 nan 8.370 nan 0.000 0.504 532 L N 0.398 121.643 121.223 0.037 0.000 2.131 532 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 532 L C 1.910 178.804 176.870 0.039 0.000 1.092 532 L CA 0.632 55.489 54.840 0.028 0.000 0.759 532 L CB -0.252 41.818 42.059 0.019 0.000 0.903 532 L HN 0.161 nan 8.230 nan 0.000 0.435 533 M N -0.192 119.429 119.600 0.036 0.000 2.426 533 M HA -0.242 4.238 4.480 -0.000 0.000 0.261 533 M C 2.022 178.340 176.300 0.029 0.000 1.068 533 M CA 1.449 56.771 55.300 0.036 0.000 1.066 533 M CB -0.962 31.654 32.600 0.026 0.000 1.399 533 M HN 0.477 nan 8.290 nan 0.000 0.449 534 Q N 0.260 120.072 119.800 0.020 0.000 2.431 534 Q HA -0.029 4.311 4.340 -0.000 0.000 0.210 534 Q C 1.148 177.143 176.000 -0.008 0.000 0.958 534 Q CA 0.396 56.202 55.803 0.005 0.000 0.957 534 Q CB -0.371 28.368 28.738 0.002 0.000 1.007 534 Q HN 0.721 nan 8.270 nan 0.000 0.511 535 M N -2.580 117.023 119.600 0.005 0.000 2.416 535 M HA 0.535 5.015 4.480 -0.000 0.000 0.337 535 M C 0.001 176.296 176.300 -0.008 0.000 1.074 535 M CA -0.488 54.789 55.300 -0.039 0.000 0.968 535 M CB 0.899 33.479 32.600 -0.032 0.000 1.472 535 M HN 0.039 nan 8.290 nan 0.000 0.539 536 A N 2.496 125.348 122.820 0.052 0.000 2.500 536 A HA 0.393 4.713 4.320 -0.000 0.000 0.285 536 A C -0.157 177.457 177.584 0.049 0.000 1.183 536 A CA -0.015 52.077 52.037 0.092 0.000 0.851 536 A CB -0.255 18.782 19.000 0.062 0.000 1.091 536 A HN 0.729 nan 8.150 nan 0.000 0.521 537 R N 2.621 123.167 120.500 0.076 0.000 2.856 537 R HA 0.612 4.952 4.340 -0.000 0.000 0.258 537 R C -2.784 173.612 176.300 0.160 0.000 1.066 537 R CA -1.981 54.169 56.100 0.084 0.000 1.045 537 R CB 0.132 30.468 30.300 0.061 0.000 1.178 537 R HN 0.362 nan 8.270 nan 0.000 0.499 538 P HA 0.066 nan 4.420 nan 0.000 0.271 538 P C -0.914 176.529 177.300 0.238 0.000 1.218 538 P CA -0.007 63.101 63.100 0.014 0.000 0.780 538 P CB 0.148 31.794 31.700 -0.091 0.000 0.901 539 Y N -2.808 117.636 120.300 0.240 0.000 4.881 539 Y HA -0.207 4.343 4.550 -0.000 0.000 0.241 539 Y C 0.058 176.234 175.900 0.459 0.000 0.985 539 Y CA 0.373 58.666 58.100 0.322 0.000 1.976 539 Y CB -1.660 36.999 38.460 0.333 0.000 1.528 539 Y HN 0.505 nan 8.280 nan 0.000 0.581 540 W N 3.010 124.413 121.300 0.170 0.000 2.318 540 W HA 0.456 5.116 4.660 -0.000 0.000 0.315 540 W C -0.808 175.599 176.519 -0.186 0.000 1.033 540 W CA -0.839 56.444 57.345 -0.103 0.000 1.275 540 W CB 0.874 30.226 29.460 -0.180 0.000 1.250 540 W HN -0.139 nan 8.180 nan 0.000 0.421 541 N N 5.658 123.938 118.700 -0.700 0.000 2.434 541 N HA 0.273 5.013 4.740 -0.000 0.000 0.272 541 N C -0.604 174.370 175.510 -0.893 0.000 1.040 541 N CA -0.264 52.347 53.050 -0.732 0.000 0.956 541 N CB 1.609 39.524 38.487 -0.953 0.000 1.108 541 N HN 0.461 nan 8.380 nan 0.000 0.481 542 I N -1.178 119.097 120.570 -0.491 0.000 2.406 542 I HA 0.524 4.694 4.170 -0.000 0.000 0.290 542 I C -0.584 175.429 176.117 -0.174 0.000 0.999 542 I CA -0.353 60.728 61.300 -0.364 0.000 1.124 542 I CB 1.510 39.390 38.000 -0.201 0.000 1.289 542 I HN 0.317 nan 8.210 nan 0.000 0.441 543 E N 6.563 126.715 120.200 -0.080 0.000 2.222 543 E HA 0.621 4.971 4.350 -0.000 0.000 0.267 543 E C -1.429 175.222 176.600 0.085 0.000 0.884 543 E CA -0.818 55.606 56.400 0.040 0.000 0.764 543 E CB 2.450 32.245 29.700 0.159 0.000 1.169 543 E HN 0.610 nan 8.360 nan 0.000 0.413 544 L N 3.716 124.994 121.223 0.092 0.000 2.322 544 L HA 0.516 4.856 4.340 -0.000 0.000 0.281 544 L C -0.472 176.483 176.870 0.143 0.000 1.014 544 L CA -0.722 54.184 54.840 0.112 0.000 0.815 544 L CB 1.195 43.305 42.059 0.084 0.000 1.247 544 L HN 0.438 nan 8.230 nan 0.000 0.421 545 I N 5.411 126.079 120.570 0.164 0.000 2.347 545 I HA 0.252 4.422 4.170 -0.000 0.000 0.283 545 I C -1.849 174.262 176.117 -0.010 0.000 1.058 545 I CA -1.792 59.577 61.300 0.115 0.000 1.202 545 I CB 0.921 39.030 38.000 0.183 0.000 1.386 545 I HN 0.347 nan 8.210 nan 0.000 0.475 546 P HA -0.031 nan 4.420 nan 0.000 0.271 546 P C 0.367 177.640 177.300 -0.045 0.000 1.238 546 P CA -0.175 62.923 63.100 -0.004 0.000 0.794 546 P CB 0.464 32.173 31.700 0.014 0.000 0.959 547 S N -0.401 115.274 115.700 -0.041 0.000 3.120 547 S HA 0.066 4.536 4.470 -0.000 0.000 0.259 547 S C 0.749 175.331 174.600 -0.030 0.000 1.191 547 S CA -0.310 57.861 58.200 -0.049 0.000 1.257 547 S CB -0.832 62.334 63.200 -0.057 0.000 0.964 547 S HN 0.282 nan 8.310 nan 0.000 0.473 565 P HA 0.151 nan 4.420 nan 0.000 0.269 565 P C -0.176 177.119 177.300 -0.007 0.000 1.215 565 P CA -0.243 62.873 63.100 0.027 0.000 0.780 565 P CB 0.309 32.022 31.700 0.022 0.000 0.898 566 A N 2.391 125.171 122.820 -0.066 0.000 2.587 566 A HA -0.005 4.315 4.320 -0.000 0.000 0.235 566 A C -0.059 177.629 177.584 0.173 0.000 1.044 566 A CA 0.547 52.578 52.037 -0.010 0.000 0.754 566 A CB -0.864 18.154 19.000 0.031 0.000 0.968 566 A HN 0.635 nan 8.150 nan 0.000 0.509 567 H N 0.241 119.356 119.070 0.075 0.000 2.499 567 H HA 0.600 5.156 4.556 -0.000 0.000 0.340 567 H C -0.711 174.579 175.328 -0.064 0.000 1.148 567 H CA -0.822 55.151 56.048 -0.127 0.000 1.215 567 H CB 1.582 31.265 29.762 -0.132 0.000 1.529 567 H HN 0.559 nan 8.280 nan 0.000 0.510 568 I N 3.091 123.598 120.570 -0.105 0.000 2.389 568 I HA 0.132 4.302 4.170 -0.000 0.000 0.288 568 I C -1.167 174.936 176.117 -0.024 0.000 0.999 568 I CA -0.658 60.583 61.300 -0.099 0.000 1.129 568 I CB 1.624 39.456 38.000 -0.280 0.000 1.288 568 I HN 0.199 nan 8.210 nan 0.000 0.444 569 L N 7.207 128.477 121.223 0.080 0.000 2.333 569 L HA 0.909 5.249 4.340 -0.000 0.000 0.280 569 L C -0.687 176.139 176.870 -0.073 0.000 1.004 569 L CA -0.112 54.790 54.840 0.104 0.000 0.820 569 L CB 1.498 43.720 42.059 0.272 0.000 1.247 569 L HN 0.689 nan 8.230 nan 0.000 0.416 570 A N 4.380 127.055 122.820 -0.242 0.000 2.486 570 A HA 0.834 5.154 4.320 -0.000 0.000 0.300 570 A C -1.919 175.151 177.584 -0.857 0.000 1.048 570 A CA -0.395 51.230 52.037 -0.687 0.000 0.696 570 A CB 1.220 19.729 19.000 -0.818 0.000 1.278 570 A HN 0.859 nan 8.150 nan 0.000 0.405 571 Y N -1.525 118.085 120.300 -1.150 0.000 2.624 571 Y HA 0.693 5.243 4.550 -0.000 0.000 0.334 571 Y C -1.220 174.426 175.900 -0.422 0.000 1.155 571 Y CA -1.499 56.216 58.100 -0.641 0.000 1.046 571 Y CB 0.693 39.011 38.460 -0.236 0.000 1.316 571 Y HN 0.588 nan 8.280 nan 0.000 0.457 572 Y N 1.482 121.953 120.300 0.286 0.000 2.346 572 Y HA 0.469 5.019 4.550 -0.000 0.000 0.330 572 Y C 0.602 176.714 175.900 0.353 0.000 1.178 572 Y CA 0.449 58.774 58.100 0.375 0.000 1.331 572 Y CB 1.529 40.244 38.460 0.425 0.000 1.253 572 Y HN 0.715 nan 8.280 nan 0.000 0.529 573 S N 3.526 119.531 115.700 0.508 0.000 2.572 573 S HA 0.304 4.774 4.470 -0.000 0.000 0.274 573 S C -0.075 174.757 174.600 0.387 0.000 1.150 573 S CA -0.775 57.683 58.200 0.430 0.000 0.944 573 S CB 0.666 64.129 63.200 0.438 0.000 1.071 573 S HN 0.770 nan 8.310 nan 0.000 0.479 574 L N 3.350 124.733 121.223 0.267 0.000 2.622 574 L HA 0.137 4.477 4.340 -0.000 0.000 0.233 574 L C 2.158 179.187 176.870 0.264 0.000 1.156 574 L CA 1.086 56.052 54.840 0.210 0.000 0.866 574 L CB -0.392 41.725 42.059 0.097 0.000 0.980 574 L HN 0.797 nan 8.230 nan 0.000 0.448 575 A N -0.737 122.242 122.820 0.264 0.000 2.229 575 A HA 0.520 4.840 4.320 -0.000 0.000 0.211 575 A C 1.215 178.902 177.584 0.172 0.000 1.193 575 A CA 0.563 52.723 52.037 0.205 0.000 0.879 575 A CB 0.170 19.299 19.000 0.215 0.000 0.911 575 A HN 0.394 nan 8.150 nan 0.000 0.492 576 G N -0.690 108.221 108.800 0.186 0.000 2.660 576 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.247 576 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.247 576 G C -0.553 174.397 174.900 0.083 0.000 1.328 576 G CA -0.363 44.803 45.100 0.109 0.000 0.884 576 G HN 0.545 nan 8.290 nan 0.000 0.531 577 Q N 0.393 120.207 119.800 0.023 0.000 2.337 577 Q HA 0.377 4.717 4.340 -0.000 0.000 0.270 577 Q C 0.935 176.927 176.000 -0.013 0.000 1.002 577 Q CA 0.120 55.916 55.803 -0.013 0.000 0.888 577 Q CB 0.413 29.125 28.738 -0.042 0.000 1.222 577 Q HN 0.530 nan 8.270 nan 0.000 0.400 578 R N 1.342 121.801 120.500 -0.068 0.000 2.585 578 R HA -0.023 4.317 4.340 -0.000 0.000 0.275 578 R C 0.947 177.184 176.300 -0.106 0.000 1.018 578 R CA 0.134 56.151 56.100 -0.139 0.000 1.072 578 R CB 0.072 30.079 30.300 -0.488 0.000 0.953 578 R HN 0.571 nan 8.270 nan 0.000 0.419 579 T N 0.998 115.521 114.554 -0.052 0.000 3.035 579 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 579 T C 0.471 175.135 174.700 -0.061 0.000 1.109 579 T CA 1.389 63.463 62.100 -0.043 0.000 1.119 579 T CB -0.148 68.709 68.868 -0.018 0.000 0.900 579 T HN 0.726 nan 8.240 nan 0.000 0.503 580 D N -0.165 120.188 120.400 -0.079 0.000 2.643 580 D HA 0.150 4.790 4.640 -0.000 0.000 0.244 580 D C -0.248 176.007 176.300 -0.075 0.000 1.257 580 D CA -0.507 53.466 54.000 -0.044 0.000 0.831 580 D CB -1.337 39.501 40.800 0.063 0.000 1.043 580 D HN 0.148 nan 8.370 nan 0.000 0.488 581 C N 1.791 121.013 119.300 -0.131 0.000 2.644 581 C HA 0.335 4.795 4.460 -0.000 0.000 0.417 581 C C -1.472 173.486 174.990 -0.054 0.000 1.304 581 C CA -0.791 58.139 59.018 -0.146 0.000 2.035 581 C CB 0.017 27.679 27.740 -0.129 0.000 2.673 581 C HN 0.381 nan 8.230 nan 0.000 0.602 582 P HA 0.153 nan 4.420 nan 0.000 0.274 582 P C 0.854 178.169 177.300 0.024 0.000 1.264 582 P CA -0.003 63.115 63.100 0.030 0.000 0.795 582 P CB 0.289 32.031 31.700 0.070 0.000 1.064 583 T N -0.807 113.769 114.554 0.036 0.000 2.857 583 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 583 T C 1.388 176.115 174.700 0.045 0.000 1.048 583 T CA 1.902 64.022 62.100 0.032 0.000 1.139 583 T CB -1.009 67.876 68.868 0.030 0.000 0.874 583 T HN 0.636 nan 8.240 nan 0.000 0.455 584 T N 0.087 114.681 114.554 0.066 0.000 3.139 584 T HA 0.090 4.440 4.350 -0.000 0.000 0.267 584 T C 0.452 175.212 174.700 0.101 0.000 1.164 584 T CA 0.116 62.266 62.100 0.083 0.000 1.075 584 T CB -0.350 68.586 68.868 0.112 0.000 0.904 584 T HN 0.096 nan 8.240 nan 0.000 0.540 585 V N 1.047 121.013 119.914 0.087 0.000 2.577 585 V HA 0.478 4.598 4.120 -0.000 0.000 0.303 585 V C -0.234 175.892 176.094 0.053 0.000 1.042 585 V CA -1.190 61.171 62.300 0.102 0.000 0.872 585 V CB 2.060 33.952 31.823 0.116 0.000 0.998 585 V HN 0.227 nan 8.190 nan 0.000 0.423 586 R N 3.159 123.693 120.500 0.056 0.000 2.338 586 R HA 0.666 5.006 4.340 -0.000 0.000 0.317 586 R C -1.110 175.202 176.300 0.020 0.000 0.968 586 R CA -0.484 55.634 56.100 0.030 0.000 0.849 586 R CB 1.811 32.130 30.300 0.032 0.000 1.128 586 R HN 0.576 nan 8.270 nan 0.000 0.448 587 V N 6.185 126.097 119.914 -0.004 0.000 2.488 587 V HA 0.155 4.275 4.120 -0.000 0.000 0.277 587 V C 0.559 176.642 176.094 -0.019 0.000 1.046 587 V CA -0.386 61.901 62.300 -0.022 0.000 0.986 587 V CB 1.144 32.942 31.823 -0.042 0.000 0.989 587 V HN 0.657 nan 8.190 nan 0.000 0.475 588 L N 6.643 127.852 121.223 -0.024 0.000 2.278 588 L HA 0.417 4.757 4.340 -0.000 0.000 0.287 588 L C 0.249 177.108 176.870 -0.019 0.000 1.072 588 L CA 0.044 54.876 54.840 -0.013 0.000 0.819 588 L CB 0.518 42.572 42.059 -0.008 0.000 1.176 588 L HN 0.706 nan 8.230 nan 0.000 0.435 589 K N 3.038 123.432 120.400 -0.010 0.000 2.352 589 K HA 0.406 4.726 4.320 -0.000 0.000 0.240 589 K C -0.577 176.023 176.600 -0.000 0.000 1.017 589 K CA -1.093 55.188 56.287 -0.009 0.000 0.851 589 K CB 1.588 34.080 32.500 -0.013 0.000 1.261 589 K HN 0.405 nan 8.250 nan 0.000 0.451 590 E N 1.689 121.889 120.200 0.000 0.000 2.461 590 E HA 0.014 4.364 4.350 -0.000 0.000 0.263 590 E C -2.221 174.381 176.600 0.003 0.000 1.143 590 E CA -1.032 55.370 56.400 0.003 0.000 0.994 590 E CB -0.321 29.379 29.700 0.001 0.000 0.973 590 E HN 0.305 nan 8.360 nan 0.000 0.457 591 P HA -0.192 nan 4.420 nan 0.000 0.259 591 P C -0.307 176.995 177.300 0.003 0.000 1.111 591 P CA 0.651 63.754 63.100 0.004 0.000 0.758 591 P CB -0.058 31.644 31.700 0.003 0.000 0.693 592 I N 0.000 120.572 120.570 0.004 0.000 2.984 592 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 592 I CA 0.000 61.302 61.300 0.003 0.000 1.566 592 I CB 0.000 38.003 38.000 0.005 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494