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 3ogm_1_B 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 IELIPSRRXX XXXXXXXXXX DATA SEQUENCE XEHPAHILAY 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 0.009 0.000 1.055 12 S CA 0.000 58.205 58.200 0.008 0.000 1.107 12 S CB 0.000 63.204 63.200 0.007 0.000 0.593 13 C N 2.970 122.276 119.300 0.010 0.000 2.328 13 C HA 0.827 5.285 4.460 -0.003 0.000 0.378 13 C C 0.785 175.782 174.990 0.012 0.000 1.249 13 C CA -0.228 58.797 59.018 0.011 0.000 2.204 13 C CB 0.752 28.500 27.740 0.013 0.000 2.218 13 C HN 0.951 nan 8.230 nan 0.000 0.564 14 V N 2.785 122.707 119.914 0.013 0.000 2.763 14 V HA 0.332 4.450 4.120 -0.003 0.000 0.306 14 V C 0.818 176.923 176.094 0.018 0.000 1.059 14 V CA 0.095 62.403 62.300 0.014 0.000 1.138 14 V CB -0.056 31.776 31.823 0.014 0.000 0.940 14 V HN 1.033 nan 8.190 nan 0.000 0.489 15 A N 4.114 126.945 122.820 0.018 0.000 2.309 15 A HA 0.592 4.910 4.320 -0.003 0.000 0.290 15 A C 0.571 178.172 177.584 0.029 0.000 1.206 15 A CA -0.360 51.689 52.037 0.021 0.000 0.850 15 A CB -0.120 18.890 19.000 0.016 0.000 1.118 15 A HN 0.930 nan 8.150 nan 0.000 0.523 16 T N 1.361 115.938 114.554 0.037 0.000 2.862 16 T HA 0.339 4.687 4.350 -0.003 0.000 0.276 16 T C 1.623 176.363 174.700 0.068 0.000 0.974 16 T CA -0.330 61.801 62.100 0.053 0.000 0.966 16 T CB 1.074 69.978 68.868 0.061 0.000 1.072 16 T HN 0.375 nan 8.240 nan 0.000 0.538 17 V N 0.203 120.178 119.914 0.101 0.000 2.490 17 V HA -0.129 3.989 4.120 -0.003 0.000 0.250 17 V C 2.287 178.462 176.094 0.135 0.000 1.061 17 V CA 1.810 64.192 62.300 0.138 0.000 1.064 17 V CB -0.926 31.043 31.823 0.243 0.000 0.670 17 V HN 0.880 nan 8.190 nan 0.000 0.461 18 D N 0.738 121.226 120.400 0.146 0.000 2.149 18 D HA -0.189 4.449 4.640 -0.003 0.000 0.198 18 D C 1.587 177.922 176.300 0.058 0.000 0.990 18 D CA 1.214 55.290 54.000 0.128 0.000 0.839 18 D CB -0.180 40.693 40.800 0.122 0.000 0.948 18 D HN 0.422 nan 8.370 nan 0.000 0.460 19 D N -0.613 119.815 120.400 0.047 0.000 2.352 19 D HA -0.022 4.616 4.640 -0.003 0.000 0.232 19 D C 0.862 177.166 176.300 0.008 0.000 1.055 19 D CA 0.180 54.195 54.000 0.025 0.000 0.891 19 D CB 1.167 41.981 40.800 0.025 0.000 0.897 19 D HN 0.131 nan 8.370 nan 0.000 0.529 20 V N 0.147 120.060 119.914 -0.003 0.000 3.623 20 V HA 0.005 4.123 4.120 -0.003 0.000 0.283 20 V C 1.139 177.196 176.094 -0.061 0.000 1.643 20 V CA -0.114 62.173 62.300 -0.022 0.000 1.121 20 V CB 0.641 32.457 31.823 -0.012 0.000 0.933 20 V HN -0.065 nan 8.190 nan 0.000 0.420 21 I N 0.880 121.388 120.570 -0.102 0.000 2.353 21 I HA -0.046 4.122 4.170 -0.003 0.000 0.248 21 I C 2.067 178.049 176.117 -0.225 0.000 1.119 21 I CA 1.991 63.143 61.300 -0.246 0.000 1.417 21 I CB -0.142 37.585 38.000 -0.456 0.000 1.078 21 I HN 0.378 nan 8.210 nan 0.000 0.421 22 E N 0.093 120.207 120.200 -0.143 0.000 2.097 22 E HA -0.283 4.065 4.350 -0.003 0.000 0.196 22 E C 2.072 178.639 176.600 -0.056 0.000 1.000 22 E CA 1.474 57.815 56.400 -0.098 0.000 0.804 22 E CB -0.224 29.443 29.700 -0.055 0.000 0.740 22 E HN 0.650 nan 8.360 nan 0.000 0.454 23 Q N 0.235 120.019 119.800 -0.027 0.000 2.020 23 Q HA -0.104 4.234 4.340 -0.003 0.000 0.198 23 Q C 2.545 178.605 176.000 0.100 0.000 0.974 23 Q CA 1.149 56.977 55.803 0.042 0.000 0.829 23 Q CB -0.164 28.594 28.738 0.034 0.000 0.894 23 Q HN 0.205 nan 8.270 nan 0.000 0.433 24 V N 1.283 121.203 119.914 0.009 0.000 2.392 24 V HA -0.287 3.831 4.120 -0.003 0.000 0.249 24 V C 2.364 178.501 176.094 0.071 0.000 1.059 24 V CA 1.764 64.073 62.300 0.015 0.000 1.051 24 V CB -0.575 31.196 31.823 -0.085 0.000 0.658 24 V HN 0.320 nan 8.190 nan 0.000 0.455 25 M N 1.677 121.249 119.600 -0.047 0.000 2.106 25 M HA -0.187 4.291 4.480 -0.003 0.000 0.259 25 M C 2.153 178.455 176.300 0.002 0.000 1.068 25 M CA 2.517 57.776 55.300 -0.068 0.000 1.100 25 M CB -0.868 31.650 32.600 -0.136 0.000 1.351 25 M HN 0.560 nan 8.290 nan 0.000 0.404 26 T N -2.571 111.993 114.554 0.017 0.000 3.227 26 T HA -0.069 4.279 4.350 -0.003 0.000 0.257 26 T C 0.789 175.389 174.700 -0.168 0.000 1.162 26 T CA 0.680 62.735 62.100 -0.075 0.000 1.051 26 T CB -0.742 68.050 68.868 -0.127 0.000 0.953 26 T HN 0.506 nan 8.240 nan 0.000 0.535 27 Y N 0.427 120.703 120.300 -0.041 0.000 2.467 27 Y HA 0.499 5.047 4.550 -0.004 0.000 0.250 27 Y C 0.691 176.578 175.900 -0.022 0.000 1.155 27 Y CA -1.234 56.849 58.100 -0.029 0.000 1.249 27 Y CB 0.350 38.795 38.460 -0.025 0.000 1.146 27 Y HN 0.276 nan 8.280 nan 0.000 0.524 28 I N 0.249 120.875 120.570 0.093 0.000 2.297 28 I HA 0.099 4.267 4.170 -0.003 0.000 0.291 28 I C 1.187 177.314 176.117 0.017 0.000 1.033 28 I CA 0.065 61.399 61.300 0.057 0.000 1.253 28 I CB 1.455 39.486 38.000 0.051 0.000 1.396 28 I HN -0.009 nan 8.210 nan 0.000 0.476 29 T N 2.546 117.107 114.554 0.011 0.000 3.021 29 T HA -0.034 4.314 4.350 -0.003 0.000 0.245 29 T C 0.793 175.484 174.700 -0.015 0.000 1.028 29 T CA 0.191 62.281 62.100 -0.016 0.000 1.139 29 T CB 0.020 68.874 68.868 -0.023 0.000 0.884 29 T HN 0.584 nan 8.240 nan 0.000 0.457 30 D N 2.225 122.627 120.400 0.003 0.000 2.502 30 D HA 0.056 4.694 4.640 -0.003 0.000 0.249 30 D C -1.655 174.650 176.300 0.009 0.000 1.188 30 D CA -1.642 52.361 54.000 0.005 0.000 0.890 30 D CB 1.492 42.305 40.800 0.021 0.000 1.140 30 D HN 0.157 nan 8.370 nan 0.000 0.505 31 P HA -0.151 nan 4.420 nan 0.000 0.217 31 P C 0.957 178.279 177.300 0.037 0.000 1.148 31 P CA 1.170 64.274 63.100 0.006 0.000 0.828 31 P CB 0.287 31.983 31.700 -0.008 0.000 0.783 32 K N -0.862 119.561 120.400 0.039 0.000 2.418 32 K HA -0.025 4.293 4.320 -0.003 0.000 0.195 32 K C 1.327 177.966 176.600 0.065 0.000 1.035 32 K CA 0.943 57.263 56.287 0.054 0.000 1.003 32 K CB -0.429 32.100 32.500 0.049 0.000 0.793 32 K HN 0.003 nan 8.250 nan 0.000 0.494 33 D N -0.606 119.832 120.400 0.064 0.000 2.277 33 D HA 0.017 4.655 4.640 -0.003 0.000 0.209 33 D C 1.609 177.970 176.300 0.101 0.000 0.970 33 D CA 0.274 54.322 54.000 0.080 0.000 0.874 33 D CB 0.304 41.147 40.800 0.072 0.000 0.982 33 D HN -0.010 nan 8.370 nan 0.000 0.504 34 R N 1.040 121.591 120.500 0.085 0.000 2.081 34 R HA -0.109 4.229 4.340 -0.003 0.000 0.235 34 R C 1.667 178.047 176.300 0.133 0.000 1.131 34 R CA 0.855 57.015 56.100 0.101 0.000 0.960 34 R CB -0.829 29.511 30.300 0.068 0.000 0.856 34 R HN 0.235 nan 8.270 nan 0.000 0.436 35 D N 0.221 120.692 120.400 0.119 0.000 2.149 35 D HA -0.130 4.508 4.640 -0.003 0.000 0.194 35 D C 1.630 178.012 176.300 0.136 0.000 1.001 35 D CA 1.868 55.947 54.000 0.131 0.000 0.849 35 D CB 0.135 40.998 40.800 0.105 0.000 0.939 35 D HN 0.084 nan 8.370 nan 0.000 0.449 36 S N -0.616 115.159 115.700 0.125 0.000 2.362 36 S HA -0.013 4.455 4.470 -0.003 0.000 0.221 36 S C 2.094 176.795 174.600 0.168 0.000 1.032 36 S CA 0.753 59.026 58.200 0.122 0.000 0.973 36 S CB -0.367 62.894 63.200 0.101 0.000 0.849 36 S HN 0.405 nan 8.310 nan 0.000 0.465 37 A N 2.003 124.955 122.820 0.221 0.000 2.032 37 A HA -0.140 4.178 4.320 -0.003 0.000 0.221 37 A C 2.254 180.077 177.584 0.397 0.000 1.165 37 A CA 1.966 54.225 52.037 0.371 0.000 0.645 37 A CB -0.863 18.335 19.000 0.330 0.000 0.807 37 A HN 0.618 nan 8.150 nan 0.000 0.453 38 S N -1.078 114.795 115.700 0.288 0.000 2.489 38 S HA 0.142 4.610 4.470 -0.003 0.000 0.228 38 S C 1.313 176.126 174.600 0.354 0.000 0.995 38 S CA 0.928 59.323 58.200 0.325 0.000 0.934 38 S CB -0.279 63.088 63.200 0.278 0.000 0.771 38 S HN 0.432 nan 8.310 nan 0.000 0.522 39 L N 1.611 122.971 121.223 0.227 0.000 2.693 39 L HA 0.306 4.644 4.340 -0.003 0.000 0.235 39 L C 2.019 178.916 176.870 0.045 0.000 1.127 39 L CA 0.101 55.019 54.840 0.129 0.000 0.914 39 L CB 0.679 42.790 42.059 0.087 0.000 1.193 39 L HN 0.380 nan 8.230 nan 0.000 0.502 40 V N -2.327 117.600 119.914 0.021 0.000 2.951 40 V HA 0.065 4.183 4.120 -0.003 0.000 0.255 40 V C 0.657 176.625 176.094 -0.210 0.000 1.088 40 V CA 0.534 62.723 62.300 -0.184 0.000 1.109 40 V CB -0.343 31.183 31.823 -0.496 0.000 0.724 40 V HN 0.554 nan 8.190 nan 0.000 0.471 41 C N -2.127 117.138 119.300 -0.058 0.000 3.037 41 C HA 0.399 4.857 4.460 -0.003 0.000 0.335 41 C C 1.192 176.256 174.990 0.123 0.000 1.333 41 C CA -0.304 58.702 59.018 -0.020 0.000 1.211 41 C CB 0.887 28.565 27.740 -0.103 0.000 1.377 41 C HN 0.367 nan 8.230 nan 0.000 0.451 42 R N 0.235 120.791 120.500 0.093 0.000 2.081 42 R HA -0.060 4.278 4.340 -0.003 0.000 0.235 42 R C 2.492 178.944 176.300 0.253 0.000 1.131 42 R CA 1.883 58.061 56.100 0.130 0.000 0.960 42 R CB -0.254 30.084 30.300 0.062 0.000 0.856 42 R HN 0.704 nan 8.270 nan 0.000 0.436 43 R N -0.157 120.500 120.500 0.261 0.000 2.073 43 R HA -0.141 4.197 4.340 -0.003 0.000 0.229 43 R C 1.812 178.317 176.300 0.342 0.000 1.120 43 R CA 1.354 57.621 56.100 0.279 0.000 0.967 43 R CB -0.139 30.322 30.300 0.268 0.000 0.862 43 R HN 0.229 nan 8.270 nan 0.000 0.436 44 W N 0.144 121.508 121.300 0.106 0.000 2.342 44 W HA -0.198 4.462 4.660 -0.001 0.000 0.297 44 W C 2.017 178.615 176.519 0.131 0.000 1.213 44 W CA 0.920 58.326 57.345 0.102 0.000 1.251 44 W CB -0.891 28.626 29.460 0.094 0.000 1.136 44 W HN 0.110 nan 8.180 nan 0.000 0.526 45 F N 1.423 121.526 119.950 0.255 0.000 2.102 45 F HA -0.179 4.348 4.527 0.000 0.000 0.298 45 F C 2.375 178.232 175.800 0.096 0.000 1.105 45 F CA 2.283 60.371 58.000 0.147 0.000 1.239 45 F CB -0.532 38.526 39.000 0.097 0.000 0.991 45 F HN -0.229 nan 8.300 nan 0.000 0.474 46 K N 0.538 121.039 120.400 0.168 0.000 2.057 46 K HA -0.132 4.186 4.320 -0.003 0.000 0.207 46 K C 2.061 178.625 176.600 -0.060 0.000 1.049 46 K CA 1.928 58.224 56.287 0.014 0.000 0.931 46 K CB -0.317 32.260 32.500 0.129 0.000 0.714 46 K HN 0.393 nan 8.250 nan 0.000 0.440 47 I N 0.880 121.440 120.570 -0.016 0.000 2.394 47 I HA -0.247 3.921 4.170 -0.003 0.000 0.251 47 I C 2.021 178.098 176.117 -0.066 0.000 1.136 47 I CA 1.478 62.744 61.300 -0.057 0.000 1.425 47 I CB -0.269 37.665 38.000 -0.111 0.000 1.079 47 I HN 0.330 nan 8.210 nan 0.000 0.425 48 D N 0.103 120.466 120.400 -0.062 0.000 2.097 48 D HA -0.233 4.405 4.640 -0.003 0.000 0.197 48 D C 2.290 178.590 176.300 0.000 0.000 0.984 48 D CA 1.555 55.542 54.000 -0.022 0.000 0.826 48 D CB -0.018 40.794 40.800 0.021 0.000 0.973 48 D HN 0.150 nan 8.370 nan 0.000 0.460 49 S N -0.508 115.094 115.700 -0.162 0.000 2.374 49 S HA -0.252 4.216 4.470 -0.003 0.000 0.227 49 S C 1.789 176.404 174.600 0.027 0.000 1.037 49 S CA 1.642 59.741 58.200 -0.167 0.000 1.024 49 S CB -0.486 62.438 63.200 -0.461 0.000 0.861 49 S HN 0.403 nan 8.310 nan 0.000 0.456 50 E N -0.364 119.828 120.200 -0.013 0.000 2.478 50 E HA 0.040 4.388 4.350 -0.003 0.000 0.194 50 E C 1.675 178.285 176.600 0.017 0.000 1.045 50 E CA 1.002 57.408 56.400 0.011 0.000 0.868 50 E CB 0.256 29.952 29.700 -0.007 0.000 0.885 50 E HN 0.853 nan 8.360 nan 0.000 0.505 51 T N -2.438 112.124 114.554 0.014 0.000 2.975 51 T HA 0.175 4.523 4.350 -0.003 0.000 0.257 51 T C 0.867 175.554 174.700 -0.022 0.000 1.003 51 T CA -0.530 61.564 62.100 -0.011 0.000 0.932 51 T CB 0.200 69.048 68.868 -0.032 0.000 1.087 51 T HN -0.184 nan 8.240 nan 0.000 0.512 52 R N 2.021 122.518 120.500 -0.006 0.000 2.538 52 R HA 0.155 4.493 4.340 -0.003 0.000 0.282 52 R C 0.967 177.182 176.300 -0.140 0.000 1.009 52 R CA 0.588 56.612 56.100 -0.126 0.000 1.063 52 R CB 0.198 30.275 30.300 -0.372 0.000 0.945 52 R HN 0.421 nan 8.270 nan 0.000 0.414 53 E N 1.205 121.328 120.200 -0.129 0.000 2.206 53 E HA -0.004 4.344 4.350 -0.003 0.000 0.195 53 E C -0.155 176.398 176.600 -0.078 0.000 0.935 53 E CA 0.191 56.540 56.400 -0.084 0.000 0.875 53 E CB 0.217 29.887 29.700 -0.050 0.000 0.841 53 E HN 0.483 nan 8.360 nan 0.000 0.477 54 H N 0.541 119.495 119.070 -0.193 0.000 2.589 54 H HA 0.456 5.010 4.556 -0.004 0.000 0.351 54 H C -1.489 173.695 175.328 -0.240 0.000 1.074 54 H CA -0.523 55.417 56.048 -0.181 0.000 1.203 54 H CB 1.278 30.962 29.762 -0.129 0.000 1.558 54 H HN -0.186 nan 8.280 nan 0.000 0.522 55 V N 4.229 123.916 119.914 -0.379 0.000 2.789 55 V HA 0.362 4.480 4.120 -0.003 0.000 0.311 55 V C -0.235 175.736 176.094 -0.204 0.000 1.073 55 V CA -0.642 61.535 62.300 -0.206 0.000 0.921 55 V CB 2.264 33.932 31.823 -0.258 0.000 1.009 55 V HN 0.893 nan 8.190 nan 0.000 0.426 56 T N 5.384 119.927 114.554 -0.017 0.000 2.848 56 T HA 0.598 4.946 4.350 -0.003 0.000 0.285 56 T C -0.498 174.174 174.700 -0.047 0.000 0.995 56 T CA -0.394 61.688 62.100 -0.031 0.000 0.970 56 T CB 1.248 70.145 68.868 0.050 0.000 0.976 56 T HN 0.486 nan 8.240 nan 0.000 0.441 57 M N 2.628 122.164 119.600 -0.107 0.000 2.101 57 M HA 0.429 4.907 4.480 -0.003 0.000 0.340 57 M C 1.189 177.433 176.300 -0.094 0.000 1.057 57 M CA -0.842 54.411 55.300 -0.079 0.000 0.984 57 M CB 1.630 34.148 32.600 -0.135 0.000 1.560 57 M HN 0.799 nan 8.290 nan 0.000 0.435 58 A N 4.362 127.153 122.820 -0.048 0.000 2.015 58 A HA 0.131 4.449 4.320 -0.003 0.000 0.219 58 A C 0.757 178.296 177.584 -0.075 0.000 1.163 58 A CA 1.025 53.012 52.037 -0.084 0.000 0.646 58 A CB 0.293 19.246 19.000 -0.077 0.000 0.806 58 A HN 0.729 nan 8.150 nan 0.000 0.448 59 L N -0.084 121.136 121.223 -0.005 0.000 2.476 59 L HA 0.205 4.543 4.340 -0.003 0.000 0.269 59 L C 0.949 177.827 176.870 0.013 0.000 0.965 59 L CA -0.703 54.157 54.840 0.033 0.000 0.845 59 L CB 1.880 44.017 42.059 0.129 0.000 1.259 59 L HN 0.475 nan 8.230 nan 0.000 0.403 60 C N 1.551 120.795 119.300 -0.094 0.000 2.448 60 C HA -0.056 4.402 4.460 -0.003 0.000 0.280 60 C C 1.727 176.746 174.990 0.049 0.000 1.398 60 C CA 0.085 59.019 59.018 -0.140 0.000 1.774 60 C CB -1.321 26.212 27.740 -0.346 0.000 1.888 60 C HN 0.777 nan 8.230 nan 0.000 0.519 61 Y N 0.981 121.388 120.300 0.178 0.000 2.502 61 Y HA 0.062 4.610 4.550 -0.004 0.000 0.295 61 Y C 2.726 178.789 175.900 0.271 0.000 1.193 61 Y CA 0.796 59.014 58.100 0.196 0.000 1.295 61 Y CB -0.316 38.190 38.460 0.076 0.000 1.059 61 Y HN 0.321 nan 8.280 nan 0.000 0.514 62 T N -0.269 114.496 114.554 0.353 0.000 3.023 62 T HA 0.345 4.693 4.350 -0.003 0.000 0.266 62 T C 0.422 175.317 174.700 0.325 0.000 1.093 62 T CA 0.760 63.076 62.100 0.361 0.000 1.129 62 T CB -0.123 68.920 68.868 0.293 0.000 0.899 62 T HN 0.293 nan 8.240 nan 0.000 0.491 63 A N -0.153 122.863 122.820 0.325 0.000 2.608 63 A HA 0.571 4.889 4.320 -0.003 0.000 0.292 63 A C -0.278 177.453 177.584 0.245 0.000 1.066 63 A CA -0.885 51.314 52.037 0.270 0.000 0.676 63 A CB 0.605 19.752 19.000 0.244 0.000 1.277 63 A HN 0.164 nan 8.150 nan 0.000 0.413 64 T N 2.136 116.762 114.554 0.121 0.000 2.940 64 T HA 0.320 4.668 4.350 -0.003 0.000 0.309 64 T C -1.914 172.674 174.700 -0.186 0.000 1.056 64 T CA -0.283 61.794 62.100 -0.039 0.000 1.137 64 T CB 0.344 69.201 68.868 -0.020 0.000 0.976 64 T HN 0.388 nan 8.240 nan 0.000 0.547 65 P HA -0.029 nan 4.420 nan 0.000 0.226 65 P C 1.033 178.199 177.300 -0.224 0.000 1.153 65 P CA 0.576 63.194 63.100 -0.804 0.000 0.777 65 P CB 0.133 31.095 31.700 -1.231 0.000 0.794 66 D N -0.119 120.179 120.400 -0.169 0.000 2.097 66 D HA -0.177 4.461 4.640 -0.003 0.000 0.197 66 D C 2.134 178.433 176.300 -0.002 0.000 0.984 66 D CA 1.006 54.968 54.000 -0.063 0.000 0.826 66 D CB -0.303 40.464 40.800 -0.055 0.000 0.973 66 D HN -0.120 nan 8.370 nan 0.000 0.460 67 R N -0.445 120.064 120.500 0.017 0.000 2.091 67 R HA -0.160 4.178 4.340 -0.003 0.000 0.238 67 R C 2.367 178.708 176.300 0.069 0.000 1.136 67 R CA 1.411 57.541 56.100 0.049 0.000 0.959 67 R CB -0.494 29.852 30.300 0.077 0.000 0.856 67 R HN 0.327 nan 8.270 nan 0.000 0.437 68 L N 0.593 121.899 121.223 0.137 0.000 1.994 68 L HA -0.154 4.185 4.340 -0.003 0.000 0.208 68 L C 2.308 179.276 176.870 0.163 0.000 1.071 68 L CA 2.467 57.434 54.840 0.211 0.000 0.745 68 L CB -0.590 41.695 42.059 0.378 0.000 0.892 68 L HN 0.326 nan 8.230 nan 0.000 0.431 69 S N -0.638 115.140 115.700 0.130 0.000 2.447 69 S HA -0.232 4.236 4.470 -0.003 0.000 0.233 69 S C 2.168 176.801 174.600 0.056 0.000 1.006 69 S CA 0.976 59.237 58.200 0.102 0.000 0.957 69 S CB -0.673 62.572 63.200 0.075 0.000 0.773 69 S HN 0.650 nan 8.310 nan 0.000 0.507 70 R N 1.214 121.730 120.500 0.027 0.000 2.075 70 R HA 0.117 4.455 4.340 -0.003 0.000 0.226 70 R C 2.527 178.796 176.300 -0.052 0.000 1.114 70 R CA 1.115 57.216 56.100 0.001 0.000 0.972 70 R CB -0.288 30.017 30.300 0.008 0.000 0.869 70 R HN 0.395 nan 8.270 nan 0.000 0.437 71 R N -0.340 120.080 120.500 -0.134 0.000 2.115 71 R HA 0.009 4.347 4.340 -0.003 0.000 0.226 71 R C -0.182 175.746 176.300 -0.620 0.000 1.100 71 R CA 1.379 57.227 56.100 -0.419 0.000 0.980 71 R CB 0.121 30.075 30.300 -0.577 0.000 0.875 71 R HN 0.288 nan 8.270 nan 0.000 0.445 72 F N -0.570 119.381 119.950 0.001 0.000 2.593 72 F HA 0.359 4.885 4.527 -0.002 0.000 0.336 72 F C -1.851 173.947 175.800 -0.004 0.000 1.491 72 F CA -2.147 55.843 58.000 -0.017 0.000 1.114 72 F CB 2.007 41.003 39.000 -0.007 0.000 1.468 72 F HN -0.038 nan 8.300 nan 0.000 0.579 73 P HA -0.134 nan 4.420 nan 0.000 0.221 73 P C 0.018 177.363 177.300 0.075 0.000 1.145 73 P CA 1.570 64.719 63.100 0.082 0.000 0.795 73 P CB 0.116 31.843 31.700 0.046 0.000 0.775 74 N N -1.277 117.473 118.700 0.082 0.000 2.328 74 N HA 0.166 4.904 4.740 -0.003 0.000 0.247 74 N C -0.239 175.284 175.510 0.021 0.000 1.165 74 N CA -0.349 52.726 53.050 0.043 0.000 0.873 74 N CB 0.036 38.540 38.487 0.028 0.000 1.125 74 N HN 0.051 nan 8.380 nan 0.000 0.513 75 L N 1.081 122.321 121.223 0.028 0.000 2.543 75 L HA -0.016 4.322 4.340 -0.003 0.000 0.285 75 L C 1.423 178.270 176.870 -0.038 0.000 1.236 75 L CA 0.472 55.293 54.840 -0.032 0.000 0.871 75 L CB 0.553 42.594 42.059 -0.030 0.000 1.121 75 L HN 0.305 nan 8.230 nan 0.000 0.501 76 R N 0.874 121.338 120.500 -0.060 0.000 2.250 76 R HA 0.177 4.515 4.340 -0.003 0.000 0.194 76 R C 0.286 176.543 176.300 -0.071 0.000 0.927 76 R CA 0.204 56.275 56.100 -0.050 0.000 1.052 76 R CB 0.608 30.885 30.300 -0.037 0.000 1.055 76 R HN 0.557 nan 8.270 nan 0.000 0.537 77 S N 0.558 116.188 115.700 -0.116 0.000 2.536 77 S HA 0.629 5.097 4.470 -0.003 0.000 0.287 77 S C -1.718 172.646 174.600 -0.394 0.000 1.101 77 S CA -0.645 57.448 58.200 -0.179 0.000 0.950 77 S CB 1.134 64.316 63.200 -0.031 0.000 1.056 77 S HN 0.063 nan 8.310 nan 0.000 0.481 78 L N 3.577 124.580 121.223 -0.367 0.000 2.409 78 L HA 0.751 5.089 4.340 -0.003 0.000 0.262 78 L C -1.278 175.387 176.870 -0.342 0.000 0.992 78 L CA -0.277 54.327 54.840 -0.394 0.000 0.817 78 L CB 1.945 43.879 42.059 -0.208 0.000 1.350 78 L HN 0.742 nan 8.230 nan 0.000 0.411 79 K N 4.969 125.172 120.400 -0.327 0.000 2.601 79 K HA 0.635 4.953 4.320 -0.003 0.000 0.249 79 K C -2.134 174.321 176.600 -0.241 0.000 0.966 79 K CA -0.496 55.644 56.287 -0.245 0.000 0.827 79 K CB 1.153 33.532 32.500 -0.201 0.000 1.178 79 K HN 0.716 nan 8.250 nan 0.000 0.437 80 L N 4.208 125.317 121.223 -0.190 0.000 2.341 80 L HA 0.531 4.869 4.340 -0.003 0.000 0.278 80 L C -0.497 176.270 176.870 -0.172 0.000 1.005 80 L CA -0.993 53.699 54.840 -0.246 0.000 0.818 80 L CB 1.946 43.777 42.059 -0.381 0.000 1.259 80 L HN 0.487 nan 8.230 nan 0.000 0.418 81 K N 1.267 121.554 120.400 -0.188 0.000 2.182 81 K HA 0.575 4.893 4.320 -0.003 0.000 0.262 81 K C 0.316 176.851 176.600 -0.109 0.000 0.957 81 K CA -0.497 55.708 56.287 -0.138 0.000 0.842 81 K CB 2.532 34.941 32.500 -0.151 0.000 1.099 81 K HN 0.746 nan 8.250 nan 0.000 0.438 82 G N 2.244 111.012 108.800 -0.053 0.000 2.601 82 G HA2 0.070 4.028 3.960 -0.003 0.000 0.214 82 G HA3 0.070 4.028 3.960 -0.003 0.000 0.214 82 G C -0.401 174.575 174.900 0.126 0.000 2.067 82 G CA -0.292 44.841 45.100 0.054 0.000 0.774 82 G HN 0.407 nan 8.290 nan 0.000 0.729 83 K N 1.744 122.180 120.400 0.059 0.000 2.469 83 K HA 0.175 4.493 4.320 -0.003 0.000 0.274 83 K C -2.314 174.108 176.600 -0.297 0.000 0.983 83 K CA -0.935 55.187 56.287 -0.275 0.000 0.974 83 K CB 0.541 32.913 32.500 -0.214 0.000 0.913 83 K HN 0.116 nan 8.250 nan 0.000 0.493 84 P HA 0.055 nan 4.420 nan 0.000 0.271 84 P C 0.184 177.304 177.300 -0.300 0.000 1.233 84 P CA -0.225 62.722 63.100 -0.255 0.000 0.789 84 P CB 0.530 32.044 31.700 -0.309 0.000 0.951 85 R N 1.324 121.679 120.500 -0.242 0.000 2.139 85 R HA -0.196 4.142 4.340 -0.003 0.000 0.243 85 R C 1.993 178.207 176.300 -0.143 0.000 1.145 85 R CA 1.836 57.834 56.100 -0.169 0.000 0.976 85 R CB -0.911 29.335 30.300 -0.090 0.000 0.866 85 R HN 0.535 nan 8.270 nan 0.000 0.449 86 A N 0.793 123.366 122.820 -0.411 0.000 2.070 86 A HA -0.110 4.208 4.320 -0.003 0.000 0.220 86 A C 2.265 179.742 177.584 -0.178 0.000 1.159 86 A CA 1.510 53.295 52.037 -0.421 0.000 0.656 86 A CB -0.450 17.781 19.000 -1.282 0.000 0.800 86 A HN 0.417 nan 8.150 nan 0.000 0.453 87 A N -0.507 122.165 122.820 -0.248 0.000 2.019 87 A HA -0.095 4.223 4.320 -0.003 0.000 0.219 87 A C 2.036 179.535 177.584 -0.143 0.000 1.164 87 A CA 1.577 53.507 52.037 -0.178 0.000 0.644 87 A CB -0.529 18.349 19.000 -0.202 0.000 0.805 87 A HN 0.537 nan 8.150 nan 0.000 0.449 88 M N -1.565 117.917 119.600 -0.196 0.000 2.686 88 M HA 0.060 4.538 4.480 -0.003 0.000 0.246 88 M C -0.193 175.697 176.300 -0.685 0.000 1.096 88 M CA 0.796 55.843 55.300 -0.421 0.000 1.076 88 M CB -0.045 32.231 32.600 -0.540 0.000 1.504 88 M HN 0.448 nan 8.290 nan 0.000 0.524 89 F N -0.268 119.637 119.950 -0.074 0.000 2.814 89 F HA 0.301 4.826 4.527 -0.003 0.000 0.326 89 F C 0.279 176.072 175.800 -0.010 0.000 1.159 89 F CA -0.826 57.155 58.000 -0.032 0.000 1.234 89 F CB -0.106 38.883 39.000 -0.019 0.000 1.016 89 F HN 0.086 nan 8.300 nan 0.000 0.510 90 N N 1.732 120.465 118.700 0.056 0.000 2.705 90 N HA -0.211 4.527 4.740 -0.003 0.000 0.255 90 N C 0.483 176.037 175.510 0.073 0.000 1.008 90 N CA 0.657 53.733 53.050 0.043 0.000 0.742 90 N CB -1.155 37.361 38.487 0.048 0.000 0.906 90 N HN 0.469 nan 8.380 nan 0.000 0.541 91 L N -1.059 120.210 121.223 0.077 0.000 2.781 91 L HA 0.286 4.624 4.340 -0.003 0.000 0.245 91 L C 0.459 177.438 176.870 0.181 0.000 1.118 91 L CA 0.228 55.154 54.840 0.144 0.000 0.918 91 L CB 0.382 42.552 42.059 0.185 0.000 1.246 91 L HN 0.110 nan 8.230 nan 0.000 0.526 92 I N 1.024 121.615 120.570 0.035 0.000 2.404 92 I HA 0.367 4.535 4.170 -0.003 0.000 0.293 92 I C -2.163 173.970 176.117 0.026 0.000 0.992 92 I CA -2.502 58.809 61.300 0.018 0.000 1.149 92 I CB 1.475 39.365 38.000 -0.184 0.000 1.315 92 I HN -0.293 nan 8.210 nan 0.000 0.446 93 P HA -0.030 nan 4.420 nan 0.000 0.267 93 P C 0.705 178.074 177.300 0.114 0.000 1.201 93 P CA 0.240 63.398 63.100 0.096 0.000 0.775 93 P CB 0.942 32.736 31.700 0.157 0.000 0.854 94 E N 3.213 123.460 120.200 0.079 0.000 2.072 94 E HA -0.208 4.140 4.350 -0.003 0.000 0.191 94 E C 1.180 177.844 176.600 0.106 0.000 0.985 94 E CA 1.712 58.154 56.400 0.070 0.000 0.801 94 E CB -0.743 28.981 29.700 0.039 0.000 0.750 94 E HN 0.418 nan 8.360 nan 0.000 0.452 95 N N -0.208 118.566 118.700 0.124 0.000 2.521 95 N HA -0.115 4.623 4.740 -0.003 0.000 0.188 95 N C 1.313 176.910 175.510 0.145 0.000 1.146 95 N CA 0.590 53.722 53.050 0.136 0.000 0.893 95 N CB -1.116 37.449 38.487 0.129 0.000 0.975 95 N HN 0.383 nan 8.380 nan 0.000 0.451 96 W N 1.436 122.733 121.300 -0.005 0.000 2.321 96 W HA 0.049 4.707 4.660 -0.004 0.000 0.306 96 W C 0.745 177.257 176.519 -0.012 0.000 1.217 96 W CA 2.278 59.628 57.345 0.008 0.000 1.257 96 W CB -0.109 29.365 29.460 0.024 0.000 1.145 96 W HN 0.278 nan 8.180 nan 0.000 0.509 97 G N -3.222 105.551 108.800 -0.044 0.000 2.352 97 G HA2 0.385 4.343 3.960 -0.003 0.000 0.283 97 G HA3 0.385 4.343 3.960 -0.003 0.000 0.283 97 G C 0.224 175.055 174.900 -0.115 0.000 1.308 97 G CA -0.041 44.827 45.100 -0.387 0.000 0.892 97 G HN 1.021 nan 8.290 nan 0.000 0.504 98 G N -1.705 107.088 108.800 -0.012 0.000 2.131 98 G HA2 -0.053 3.905 3.960 -0.003 0.000 0.201 98 G HA3 -0.053 3.905 3.960 -0.003 0.000 0.201 98 G C 0.226 175.043 174.900 -0.138 0.000 1.000 98 G CA 0.413 45.486 45.100 -0.044 0.000 0.680 98 G HN 1.370 nan 8.290 nan 0.000 0.514 99 Y N -0.965 119.371 120.300 0.060 0.000 2.511 99 Y HA 0.327 4.875 4.550 -0.004 0.000 0.332 99 Y C 1.533 177.436 175.900 0.005 0.000 1.177 99 Y CA 0.613 58.728 58.100 0.025 0.000 1.422 99 Y CB 1.517 40.004 38.460 0.044 0.000 1.271 99 Y HN 0.013 nan 8.280 nan 0.000 0.550 100 V N 2.303 122.264 119.914 0.078 0.000 3.565 100 V HA -0.135 3.983 4.120 -0.003 0.000 0.260 100 V C 1.836 177.970 176.094 0.068 0.000 1.231 100 V CA 1.467 63.722 62.300 -0.075 0.000 1.100 100 V CB -0.407 31.062 31.823 -0.591 0.000 0.807 100 V HN 1.110 nan 8.190 nan 0.000 0.454 101 T N -0.636 113.961 114.554 0.072 0.000 2.665 101 T HA -0.125 4.223 4.350 -0.003 0.000 0.268 101 T C -0.043 174.670 174.700 0.022 0.000 1.035 101 T CA 1.805 63.929 62.100 0.041 0.000 1.151 101 T CB -1.889 66.987 68.868 0.014 0.000 0.862 101 T HN 0.437 nan 8.240 nan 0.000 0.438 102 P HA -0.033 nan 4.420 nan 0.000 0.218 102 P C 0.759 177.913 177.300 -0.242 0.000 1.148 102 P CA 1.057 64.048 63.100 -0.181 0.000 0.822 102 P CB -0.324 31.188 31.700 -0.314 0.000 0.784 103 W N -0.497 120.791 121.300 -0.020 0.000 2.453 103 W HA -0.038 4.619 4.660 -0.004 0.000 0.289 103 W C 2.352 178.892 176.519 0.036 0.000 1.215 103 W CA 0.674 58.023 57.345 0.006 0.000 1.297 103 W CB -1.100 28.356 29.460 -0.007 0.000 1.113 103 W HN -0.206 nan 8.180 nan 0.000 0.551 104 V N -0.264 119.793 119.914 0.238 0.000 2.453 104 V HA -0.200 3.918 4.120 -0.003 0.000 0.247 104 V C 2.036 178.185 176.094 0.091 0.000 1.048 104 V CA 2.459 64.861 62.300 0.171 0.000 1.049 104 V CB -1.366 30.539 31.823 0.137 0.000 0.672 104 V HN 0.246 nan 8.190 nan 0.000 0.457 105 T N -2.284 112.296 114.554 0.044 0.000 3.035 105 T HA -0.104 4.244 4.350 -0.003 0.000 0.268 105 T C 1.680 176.383 174.700 0.005 0.000 1.109 105 T CA 1.523 63.629 62.100 0.009 0.000 1.119 105 T CB -0.280 68.577 68.868 -0.018 0.000 0.900 105 T HN 0.597 nan 8.240 nan 0.000 0.503 106 E N 1.324 121.532 120.200 0.013 0.000 2.076 106 E HA 0.128 4.476 4.350 -0.003 0.000 0.190 106 E C 1.946 178.585 176.600 0.065 0.000 0.979 106 E CA 0.648 57.058 56.400 0.016 0.000 0.807 106 E CB -0.539 29.150 29.700 -0.017 0.000 0.761 106 E HN 0.618 nan 8.360 nan 0.000 0.454 107 I N 0.197 120.834 120.570 0.112 0.000 2.208 107 I HA -0.284 3.884 4.170 -0.003 0.000 0.245 107 I C 2.451 178.602 176.117 0.057 0.000 1.097 107 I CA 1.334 62.693 61.300 0.099 0.000 1.363 107 I CB -0.396 37.679 38.000 0.125 0.000 1.051 107 I HN 0.135 nan 8.210 nan 0.000 0.413 108 S N 0.605 116.333 115.700 0.047 0.000 2.382 108 S HA -0.180 4.289 4.470 -0.003 0.000 0.228 108 S C 1.633 176.242 174.600 0.016 0.000 1.027 108 S CA 2.001 60.216 58.200 0.024 0.000 0.991 108 S CB -0.362 62.847 63.200 0.015 0.000 0.823 108 S HN 0.535 nan 8.310 nan 0.000 0.469 109 N N -0.507 118.204 118.700 0.018 0.000 2.454 109 N HA 0.189 4.927 4.740 -0.003 0.000 0.177 109 N C 0.650 176.169 175.510 0.016 0.000 1.049 109 N CA 0.359 53.415 53.050 0.011 0.000 0.887 109 N CB 0.242 38.731 38.487 0.002 0.000 1.095 109 N HN 0.289 nan 8.380 nan 0.000 0.446 110 N N -0.000 118.716 118.700 0.026 0.000 2.129 110 N HA 0.186 4.924 4.740 -0.003 0.000 0.222 110 N C -0.405 175.131 175.510 0.043 0.000 1.303 110 N CA 0.161 53.230 53.050 0.031 0.000 0.897 110 N CB 1.354 39.859 38.487 0.030 0.000 1.093 110 N HN 0.058 nan 8.380 nan 0.000 0.501 111 L N 1.361 122.614 121.223 0.049 0.000 2.959 111 L HA 0.372 4.710 4.340 -0.003 0.000 0.236 111 L C 0.928 177.816 176.870 0.031 0.000 1.296 111 L CA -0.202 54.668 54.840 0.050 0.000 1.047 111 L CB 0.485 42.585 42.059 0.068 0.000 1.395 111 L HN -0.301 nan 8.230 nan 0.000 0.492 112 R N 0.067 120.581 120.500 0.024 0.000 2.369 112 R HA -0.121 4.217 4.340 -0.003 0.000 0.200 112 R C 1.574 177.879 176.300 0.008 0.000 1.046 112 R CA 0.631 56.740 56.100 0.014 0.000 1.057 112 R CB -0.216 30.091 30.300 0.012 0.000 0.888 112 R HN 0.395 nan 8.270 nan 0.000 0.474 113 Q N -1.091 118.713 119.800 0.008 0.000 2.185 113 Q HA 0.203 4.541 4.340 -0.003 0.000 0.234 113 Q C -0.674 175.320 176.000 -0.010 0.000 0.819 113 Q CA -0.191 55.611 55.803 -0.001 0.000 0.961 113 Q CB 0.562 29.301 28.738 0.001 0.000 1.140 113 Q HN 0.110 nan 8.270 nan 0.000 0.492 114 L N 2.013 123.231 121.223 -0.009 0.000 2.513 114 L HA 0.044 4.382 4.340 -0.003 0.000 0.272 114 L C 0.775 177.626 176.870 -0.031 0.000 1.187 114 L CA 1.042 55.867 54.840 -0.025 0.000 0.895 114 L CB 0.658 42.706 42.059 -0.018 0.000 1.147 114 L HN 0.220 nan 8.230 nan 0.000 0.483 115 K N 1.197 121.572 120.400 -0.043 0.000 2.412 115 K HA 0.248 4.566 4.320 -0.003 0.000 0.202 115 K C 0.171 176.737 176.600 -0.058 0.000 1.102 115 K CA -0.080 56.182 56.287 -0.042 0.000 1.027 115 K CB 0.578 33.059 32.500 -0.032 0.000 0.931 115 K HN 0.423 nan 8.250 nan 0.000 0.557 116 S N 0.748 116.401 115.700 -0.077 0.000 2.575 116 S HA 0.516 4.984 4.470 -0.003 0.000 0.278 116 S C -1.433 173.075 174.600 -0.153 0.000 1.139 116 S CA -0.537 57.604 58.200 -0.099 0.000 0.954 116 S CB 1.914 65.077 63.200 -0.063 0.000 1.054 116 S HN 0.038 nan 8.310 nan 0.000 0.483 117 V N 5.074 124.856 119.914 -0.221 0.000 2.638 117 V HA 0.520 4.638 4.120 -0.003 0.000 0.306 117 V C -0.757 175.069 176.094 -0.447 0.000 1.052 117 V CA -0.672 61.399 62.300 -0.381 0.000 0.885 117 V CB 1.698 33.207 31.823 -0.523 0.000 0.999 117 V HN 1.015 nan 8.190 nan 0.000 0.424 118 H N 4.630 123.372 119.070 -0.547 0.000 2.906 118 H HA 0.602 5.157 4.556 -0.003 0.000 0.324 118 H C -1.708 173.424 175.328 -0.326 0.000 0.973 118 H CA -0.717 55.101 56.048 -0.383 0.000 1.321 118 H CB 0.882 30.536 29.762 -0.181 0.000 1.535 118 H HN 0.488 nan 8.280 nan 0.000 0.518 119 F N 3.625 123.686 119.950 0.185 0.000 2.420 119 F HA 0.410 4.935 4.527 -0.004 0.000 0.342 119 F C 0.306 176.181 175.800 0.125 0.000 1.113 119 F CA -0.829 57.201 58.000 0.050 0.000 1.059 119 F CB 1.460 40.452 39.000 -0.014 0.000 1.128 119 F HN 0.458 nan 8.300 nan 0.000 0.475 120 R N 2.947 123.560 120.500 0.189 0.000 2.451 120 R HA 0.494 4.832 4.340 -0.003 0.000 0.307 120 R C -0.329 175.988 176.300 0.029 0.000 0.965 120 R CA -0.630 55.527 56.100 0.096 0.000 0.865 120 R CB 0.613 30.884 30.300 -0.047 0.000 1.174 120 R HN 0.739 nan 8.270 nan 0.000 0.455 121 R N 3.433 123.956 120.500 0.039 0.000 3.205 121 R HA -0.200 4.138 4.340 -0.003 0.000 0.249 121 R C -0.568 175.739 176.300 0.012 0.000 0.937 121 R CA 0.954 57.056 56.100 0.004 0.000 0.641 121 R CB -1.295 28.974 30.300 -0.051 0.000 1.114 121 R HN 0.589 nan 8.270 nan 0.000 0.451 122 M N 0.416 120.033 119.600 0.027 0.000 2.775 122 M HA 0.541 5.019 4.480 -0.003 0.000 0.296 122 M C 0.155 176.450 176.300 -0.008 0.000 1.248 122 M CA -1.139 54.148 55.300 -0.021 0.000 0.800 122 M CB 1.636 34.171 32.600 -0.109 0.000 1.765 122 M HN -0.028 nan 8.290 nan 0.000 0.472 123 I N 2.595 123.131 120.570 -0.057 0.000 2.337 123 I HA 0.319 4.487 4.170 -0.003 0.000 0.285 123 I C -0.748 175.404 176.117 0.059 0.000 1.041 123 I CA -0.532 60.777 61.300 0.014 0.000 1.199 123 I CB 0.533 38.501 38.000 -0.054 0.000 1.370 123 I HN 0.237 nan 8.210 nan 0.000 0.470 124 V N 5.674 125.661 119.914 0.121 0.000 2.370 124 V HA 0.313 4.431 4.120 -0.003 0.000 0.283 124 V C 0.672 176.892 176.094 0.211 0.000 1.023 124 V CA -0.408 61.946 62.300 0.090 0.000 0.857 124 V CB 1.545 33.377 31.823 0.015 0.000 0.985 124 V HN 0.888 nan 8.190 nan 0.000 0.443 125 S N 2.209 117.993 115.700 0.141 0.000 2.687 125 S HA 0.324 4.792 4.470 -0.003 0.000 0.283 125 S C 0.688 175.367 174.600 0.131 0.000 1.170 125 S CA -0.546 57.746 58.200 0.154 0.000 1.008 125 S CB 1.553 64.817 63.200 0.107 0.000 1.026 125 S HN 0.606 nan 8.310 nan 0.000 0.541 126 D N 0.280 120.761 120.400 0.134 0.000 2.123 126 D HA -0.097 4.541 4.640 -0.003 0.000 0.196 126 D C 1.747 178.082 176.300 0.058 0.000 0.992 126 D CA 1.218 55.279 54.000 0.102 0.000 0.833 126 D CB -0.423 40.432 40.800 0.093 0.000 0.954 126 D HN 0.494 nan 8.370 nan 0.000 0.455 127 L N 1.255 122.507 121.223 0.049 0.000 2.017 127 L HA -0.195 4.143 4.340 -0.003 0.000 0.208 127 L C 1.409 178.291 176.870 0.021 0.000 1.073 127 L CA 2.103 56.960 54.840 0.028 0.000 0.745 127 L CB -0.687 41.384 42.059 0.020 0.000 0.894 127 L HN -0.001 nan 8.230 nan 0.000 0.432 128 D N -0.611 119.805 120.400 0.027 0.000 2.312 128 D HA -0.200 4.438 4.640 -0.003 0.000 0.211 128 D C 2.024 178.339 176.300 0.025 0.000 0.964 128 D CA 1.518 55.531 54.000 0.022 0.000 0.877 128 D CB -0.673 40.140 40.800 0.022 0.000 0.924 128 D HN 0.589 nan 8.370 nan 0.000 0.515 129 L N -1.722 119.510 121.223 0.015 0.000 2.416 129 L HA 0.262 4.601 4.340 -0.003 0.000 0.216 129 L C 1.643 178.509 176.870 -0.007 0.000 1.098 129 L CA 1.050 55.892 54.840 0.003 0.000 0.840 129 L CB -0.417 41.613 42.059 -0.048 0.000 0.981 129 L HN -0.186 nan 8.230 nan 0.000 0.462 130 D N 0.814 121.213 120.400 -0.002 0.000 2.117 130 D HA -0.202 4.436 4.640 -0.003 0.000 0.197 130 D C 2.329 178.594 176.300 -0.059 0.000 0.987 130 D CA 1.343 55.332 54.000 -0.018 0.000 0.829 130 D CB 0.123 40.924 40.800 0.002 0.000 0.961 130 D HN 0.208 nan 8.370 nan 0.000 0.460 131 R N -0.006 120.475 120.500 -0.031 0.000 2.083 131 R HA -0.120 4.218 4.340 -0.003 0.000 0.237 131 R C 2.489 178.772 176.300 -0.029 0.000 1.137 131 R CA 0.844 56.925 56.100 -0.032 0.000 0.951 131 R CB -0.679 29.617 30.300 -0.006 0.000 0.851 131 R HN 0.353 nan 8.270 nan 0.000 0.434 132 L N 0.336 121.559 121.223 -0.001 0.000 1.970 132 L HA -0.221 4.117 4.340 -0.003 0.000 0.212 132 L C 2.530 179.386 176.870 -0.023 0.000 1.071 132 L CA 1.623 56.471 54.840 0.014 0.000 0.751 132 L CB -0.664 41.425 42.059 0.050 0.000 0.889 132 L HN 0.228 nan 8.230 nan 0.000 0.432 133 A N 0.285 123.083 122.820 -0.037 0.000 1.870 133 A HA -0.341 3.977 4.320 -0.003 0.000 0.219 133 A C 2.204 179.708 177.584 -0.134 0.000 1.224 133 A CA 2.641 54.648 52.037 -0.050 0.000 0.650 133 A CB -0.751 18.241 19.000 -0.015 0.000 0.836 133 A HN 0.481 nan 8.150 nan 0.000 0.454 134 K N -0.670 119.558 120.400 -0.288 0.000 2.063 134 K HA -0.083 4.236 4.320 -0.003 0.000 0.208 134 K C 2.265 178.790 176.600 -0.127 0.000 1.048 134 K CA 1.229 57.326 56.287 -0.317 0.000 0.928 134 K CB -0.353 31.948 32.500 -0.331 0.000 0.713 134 K HN 0.495 nan 8.250 nan 0.000 0.442 135 A N 0.882 123.654 122.820 -0.080 0.000 1.969 135 A HA -0.094 4.224 4.320 -0.003 0.000 0.218 135 A C 2.054 179.626 177.584 -0.020 0.000 1.169 135 A CA 1.381 53.396 52.037 -0.037 0.000 0.635 135 A CB -0.096 18.894 19.000 -0.017 0.000 0.810 135 A HN 0.084 nan 8.150 nan 0.000 0.445 136 R N -2.411 118.077 120.500 -0.019 0.000 2.257 136 R HA 0.478 4.816 4.340 -0.003 0.000 0.195 136 R C 1.215 177.514 176.300 -0.002 0.000 0.921 136 R CA 1.049 57.144 56.100 -0.008 0.000 1.069 136 R CB -0.330 29.965 30.300 -0.008 0.000 1.115 136 R HN 0.632 nan 8.270 nan 0.000 0.571 137 A N 0.840 123.662 122.820 0.003 0.000 5.481 137 A HA -0.383 3.935 4.320 -0.003 0.000 0.318 137 A C 1.063 178.663 177.584 0.026 0.000 1.837 137 A CA 1.773 53.830 52.037 0.033 0.000 0.717 137 A CB -1.714 17.310 19.000 0.039 0.000 1.349 137 A HN 0.403 nan 8.150 nan 0.000 0.388 138 D N -0.196 120.219 120.400 0.026 0.000 2.271 138 D HA -0.055 4.583 4.640 -0.003 0.000 0.207 138 D C 1.202 177.505 176.300 0.006 0.000 0.983 138 D CA 1.564 55.574 54.000 0.016 0.000 0.878 138 D CB -0.402 40.406 40.800 0.014 0.000 0.920 138 D HN 0.500 nan 8.370 nan 0.000 0.479 139 D N -0.446 119.956 120.400 0.002 0.000 2.312 139 D HA -0.035 4.603 4.640 -0.003 0.000 0.211 139 D C 0.505 176.797 176.300 -0.013 0.000 0.964 139 D CA 0.037 54.033 54.000 -0.006 0.000 0.877 139 D CB -0.002 40.794 40.800 -0.006 0.000 0.924 139 D HN 0.153 nan 8.370 nan 0.000 0.515 140 L N 1.452 122.667 121.223 -0.013 0.000 2.363 140 L HA 0.099 4.438 4.340 -0.003 0.000 0.286 140 L C 1.068 177.922 176.870 -0.026 0.000 1.106 140 L CA 0.264 55.088 54.840 -0.027 0.000 0.859 140 L CB 0.364 42.407 42.059 -0.028 0.000 1.223 140 L HN -0.140 nan 8.230 nan 0.000 0.446 141 E N 1.320 121.501 120.200 -0.031 0.000 2.122 141 E HA -0.002 4.346 4.350 -0.003 0.000 0.190 141 E C 0.209 176.786 176.600 -0.038 0.000 0.977 141 E CA 0.804 57.188 56.400 -0.028 0.000 0.820 141 E CB 0.350 30.035 29.700 -0.026 0.000 0.770 141 E HN 0.628 nan 8.360 nan 0.000 0.462 142 T N 0.022 114.541 114.554 -0.057 0.000 2.881 142 T HA 0.478 4.826 4.350 -0.003 0.000 0.290 142 T C -1.672 172.957 174.700 -0.119 0.000 1.000 142 T CA -0.900 61.154 62.100 -0.077 0.000 0.978 142 T CB 1.347 70.171 68.868 -0.073 0.000 0.997 142 T HN -0.033 nan 8.240 nan 0.000 0.443 143 L N 3.993 125.136 121.223 -0.133 0.000 2.376 143 L HA 0.675 5.013 4.340 -0.003 0.000 0.275 143 L C -1.014 175.729 176.870 -0.212 0.000 0.987 143 L CA -0.345 54.381 54.840 -0.191 0.000 0.828 143 L CB 1.517 43.481 42.059 -0.159 0.000 1.249 143 L HN 0.721 nan 8.230 nan 0.000 0.409 144 K N 6.738 126.963 120.400 -0.293 0.000 2.449 144 K HA 0.474 4.792 4.320 -0.003 0.000 0.257 144 K C -1.097 175.365 176.600 -0.229 0.000 0.989 144 K CA -0.437 55.650 56.287 -0.334 0.000 0.916 144 K CB 1.334 33.429 32.500 -0.675 0.000 1.136 144 K HN 0.586 nan 8.250 nan 0.000 0.439 145 L N 3.181 124.332 121.223 -0.121 0.000 2.397 145 L HA 0.159 4.497 4.340 -0.003 0.000 0.263 145 L C -0.089 176.825 176.870 0.073 0.000 1.136 145 L CA -0.528 54.316 54.840 0.007 0.000 1.019 145 L CB -0.010 41.999 42.059 -0.084 0.000 1.352 145 L HN 0.481 nan 8.230 nan 0.000 0.420 146 D N 4.518 124.977 120.400 0.099 0.000 2.365 146 D HA 0.114 4.752 4.640 -0.003 0.000 0.237 146 D C 0.388 176.761 176.300 0.122 0.000 1.190 146 D CA -0.210 53.855 54.000 0.108 0.000 0.867 146 D CB 0.525 41.452 40.800 0.212 0.000 1.050 146 D HN 0.317 nan 8.370 nan 0.000 0.491 147 K N 1.475 121.937 120.400 0.103 0.000 3.071 147 K HA -0.177 4.141 4.320 -0.003 0.000 0.265 147 K C -0.233 176.422 176.600 0.092 0.000 1.060 147 K CA 0.361 56.690 56.287 0.069 0.000 0.767 147 K CB -2.332 30.175 32.500 0.013 0.000 1.241 147 K HN 0.401 nan 8.250 nan 0.000 0.486 148 C N 0.333 119.738 119.300 0.175 0.000 2.325 148 C HA 0.693 5.151 4.460 -0.003 0.000 0.370 148 C C 1.167 176.297 174.990 0.232 0.000 1.217 148 C CA -0.182 58.962 59.018 0.209 0.000 2.254 148 C CB 1.433 29.339 27.740 0.276 0.000 2.282 148 C HN 0.616 nan 8.230 nan 0.000 0.564 149 S N -1.029 114.787 115.700 0.193 0.000 2.697 149 S HA 0.789 5.257 4.470 -0.003 0.000 0.289 149 S C 0.122 174.811 174.600 0.149 0.000 1.149 149 S CA 0.290 58.541 58.200 0.085 0.000 0.850 149 S CB 1.283 64.492 63.200 0.014 0.000 1.151 149 S HN 2.385 nan 8.310 nan 0.000 0.491 150 G N -0.088 108.727 108.800 0.025 0.000 2.176 150 G HA2 -0.136 3.822 3.960 -0.003 0.000 0.232 150 G HA3 -0.136 3.822 3.960 -0.003 0.000 0.232 150 G C -0.197 174.798 174.900 0.160 0.000 0.986 150 G CA 0.282 45.439 45.100 0.095 0.000 0.643 150 G HN 1.510 nan 8.290 nan 0.000 0.522 151 F N 0.265 120.257 119.950 0.071 0.000 2.629 151 F HA 0.949 5.474 4.527 -0.003 0.000 0.386 151 F C 0.392 176.237 175.800 0.074 0.000 1.135 151 F CA -0.356 57.673 58.000 0.049 0.000 1.116 151 F CB 1.086 40.090 39.000 0.007 0.000 1.426 151 F HN 0.542 nan 8.300 nan 0.000 0.501 152 T N -4.078 110.624 114.554 0.246 0.000 2.787 152 T HA 0.276 4.625 4.350 -0.003 0.000 0.297 152 T C 0.661 175.433 174.700 0.120 0.000 1.221 152 T CA -0.043 62.130 62.100 0.123 0.000 1.006 152 T CB 0.785 69.707 68.868 0.090 0.000 1.328 152 T HN 1.063 nan 8.240 nan 0.000 0.509 153 T N -1.279 113.316 114.554 0.068 0.000 2.869 153 T HA -0.122 4.227 4.350 -0.003 0.000 0.270 153 T C 1.128 175.865 174.700 0.062 0.000 1.082 153 T CA 1.801 63.910 62.100 0.014 0.000 1.123 153 T CB -0.825 68.150 68.868 0.179 0.000 0.856 153 T HN 0.609 nan 8.240 nan 0.000 0.499 154 D N 1.746 122.198 120.400 0.087 0.000 2.097 154 D HA 0.024 4.662 4.640 -0.003 0.000 0.195 154 D C 2.466 178.808 176.300 0.070 0.000 0.989 154 D CA 1.448 55.499 54.000 0.085 0.000 0.827 154 D CB -1.053 39.795 40.800 0.080 0.000 0.966 154 D HN 0.565 nan 8.370 nan 0.000 0.456 155 G N 1.110 109.952 108.800 0.069 0.000 2.459 155 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.217 155 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.217 155 G C 1.805 176.687 174.900 -0.030 0.000 1.183 155 G CA 0.636 45.755 45.100 0.032 0.000 0.776 155 G HN 0.253 nan 8.290 nan 0.000 0.552 156 L N -0.218 120.948 121.223 -0.095 0.000 1.990 156 L HA -0.107 4.231 4.340 -0.003 0.000 0.213 156 L C 2.722 179.600 176.870 0.014 0.000 1.072 156 L CA 0.956 55.689 54.840 -0.178 0.000 0.755 156 L CB -0.669 41.072 42.059 -0.530 0.000 0.889 156 L HN 0.250 nan 8.230 nan 0.000 0.432 157 L N -0.684 120.597 121.223 0.097 0.000 2.187 157 L HA -0.203 4.135 4.340 -0.003 0.000 0.213 157 L C 2.604 179.537 176.870 0.106 0.000 1.100 157 L CA 1.871 56.807 54.840 0.160 0.000 0.765 157 L CB -0.636 41.516 42.059 0.156 0.000 0.904 157 L HN 0.165 nan 8.230 nan 0.000 0.437 158 S N -0.689 115.070 115.700 0.098 0.000 2.371 158 S HA -0.099 4.369 4.470 -0.003 0.000 0.224 158 S C 2.019 176.730 174.600 0.187 0.000 1.029 158 S CA 1.138 59.432 58.200 0.157 0.000 0.978 158 S CB -0.448 62.837 63.200 0.142 0.000 0.833 158 S HN 0.642 nan 8.310 nan 0.000 0.466 159 I N 0.823 121.448 120.570 0.090 0.000 2.617 159 I HA 0.046 4.214 4.170 -0.003 0.000 0.256 159 I C 1.890 178.051 176.117 0.073 0.000 1.167 159 I CA 1.093 62.437 61.300 0.073 0.000 1.469 159 I CB -0.337 37.663 38.000 -0.000 0.000 1.098 159 I HN 0.211 nan 8.210 nan 0.000 0.436 160 V N -0.546 119.415 119.914 0.078 0.000 3.041 160 V HA -0.052 4.066 4.120 -0.003 0.000 0.260 160 V C 2.315 178.427 176.094 0.030 0.000 1.105 160 V CA 1.642 63.990 62.300 0.080 0.000 1.125 160 V CB -1.879 30.032 31.823 0.146 0.000 0.730 160 V HN 0.687 nan 8.190 nan 0.000 0.479 161 T N -3.066 111.478 114.554 -0.016 0.000 3.037 161 T HA 0.079 4.427 4.350 -0.003 0.000 0.252 161 T C 1.584 176.151 174.700 -0.222 0.000 1.073 161 T CA 1.153 63.163 62.100 -0.150 0.000 1.091 161 T CB -0.442 68.288 68.868 -0.229 0.000 0.935 161 T HN 0.590 nan 8.240 nan 0.000 0.488 162 H N -0.411 118.651 119.070 -0.014 0.000 2.553 162 H HA 0.403 4.957 4.556 -0.003 0.000 0.276 162 H C 0.303 175.623 175.328 -0.014 0.000 0.979 162 H CA 0.069 56.108 56.048 -0.016 0.000 1.268 162 H CB 0.406 30.163 29.762 -0.010 0.000 1.450 162 H HN 0.356 nan 8.280 nan 0.000 0.527 163 C N 2.344 121.703 119.300 0.098 0.000 2.170 163 C HA 0.288 4.746 4.460 -0.003 0.000 0.339 163 C C 1.239 176.247 174.990 0.030 0.000 1.056 163 C CA -0.692 58.357 59.018 0.051 0.000 1.535 163 C CB -0.419 27.343 27.740 0.037 0.000 1.785 163 C HN 0.569 nan 8.230 nan 0.000 0.440 164 R N 0.839 121.351 120.500 0.020 0.000 2.275 164 R HA 0.032 4.370 4.340 -0.003 0.000 0.199 164 R C 0.960 177.273 176.300 0.022 0.000 0.989 164 R CA 0.582 56.691 56.100 0.015 0.000 1.016 164 R CB 0.203 30.504 30.300 0.002 0.000 0.918 164 R HN 0.593 nan 8.270 nan 0.000 0.473 165 K N 0.938 121.348 120.400 0.017 0.000 2.514 165 K HA 0.285 4.604 4.320 -0.003 0.000 0.207 165 K C -0.028 176.577 176.600 0.008 0.000 1.035 165 K CA -0.216 56.078 56.287 0.012 0.000 1.113 165 K CB 0.635 33.139 32.500 0.007 0.000 0.846 165 K HN 0.041 nan 8.250 nan 0.000 0.491 166 I N 2.117 122.694 120.570 0.012 0.000 2.741 166 I HA -0.168 4.000 4.170 -0.003 0.000 0.288 166 I C 1.191 177.311 176.117 0.006 0.000 1.192 166 I CA 0.856 62.160 61.300 0.006 0.000 1.426 166 I CB 0.607 38.616 38.000 0.015 0.000 1.367 166 I HN 0.227 nan 8.210 nan 0.000 0.563 167 K N 3.079 123.476 120.400 -0.005 0.000 2.141 167 K HA 0.021 4.339 4.320 -0.003 0.000 0.202 167 K C 0.722 177.317 176.600 -0.007 0.000 1.045 167 K CA 0.719 57.002 56.287 -0.006 0.000 0.971 167 K CB 0.229 32.721 32.500 -0.013 0.000 0.795 167 K HN 0.681 nan 8.250 nan 0.000 0.459 168 T N 0.436 114.978 114.554 -0.019 0.000 2.848 168 T HA 0.519 4.867 4.350 -0.003 0.000 0.285 168 T C -1.637 173.043 174.700 -0.033 0.000 0.995 168 T CA -0.846 61.238 62.100 -0.026 0.000 0.970 168 T CB 1.173 70.015 68.868 -0.043 0.000 0.976 168 T HN -0.029 nan 8.240 nan 0.000 0.441 169 L N 5.298 126.515 121.223 -0.011 0.000 2.439 169 L HA 0.842 5.180 4.340 -0.003 0.000 0.270 169 L C -1.917 174.960 176.870 0.011 0.000 0.972 169 L CA -0.709 54.128 54.840 -0.005 0.000 0.836 169 L CB 1.701 43.790 42.059 0.049 0.000 1.255 169 L HN 0.856 nan 8.230 nan 0.000 0.404 170 L N 5.562 126.765 121.223 -0.033 0.000 2.436 170 L HA 0.578 4.916 4.340 -0.003 0.000 0.268 170 L C -0.708 176.167 176.870 0.009 0.000 0.974 170 L CA -0.268 54.566 54.840 -0.010 0.000 0.826 170 L CB 2.039 44.046 42.059 -0.086 0.000 1.291 170 L HN 0.871 nan 8.230 nan 0.000 0.406 171 M N 3.311 122.980 119.600 0.114 0.000 2.625 171 M HA 0.232 4.710 4.480 -0.003 0.000 0.396 171 M C -0.075 176.363 176.300 0.230 0.000 1.174 171 M CA -0.195 55.206 55.300 0.168 0.000 0.898 171 M CB 0.852 33.573 32.600 0.202 0.000 1.450 171 M HN 0.527 nan 8.290 nan 0.000 0.522 172 E N 2.564 122.867 120.200 0.171 0.000 2.480 172 E HA -0.141 4.207 4.350 -0.003 0.000 0.258 172 E C 0.324 176.999 176.600 0.125 0.000 0.984 172 E CA 0.786 57.286 56.400 0.168 0.000 0.930 172 E CB 0.349 30.131 29.700 0.137 0.000 0.936 172 E HN 0.429 nan 8.360 nan 0.000 0.466 173 E N 1.793 122.049 120.200 0.093 0.000 3.496 173 E HA -0.216 4.132 4.350 -0.003 0.000 0.300 173 E C -0.916 175.714 176.600 0.051 0.000 0.877 173 E CA 0.627 57.039 56.400 0.020 0.000 1.050 173 E CB -0.914 28.775 29.700 -0.019 0.000 1.532 173 E HN 0.483 nan 8.360 nan 0.000 0.447 174 S N 0.171 115.967 115.700 0.159 0.000 2.580 174 S HA 0.333 4.801 4.470 -0.003 0.000 0.274 174 S C -0.180 174.482 174.600 0.104 0.000 1.329 174 S CA 0.039 58.372 58.200 0.221 0.000 1.036 174 S CB 1.451 64.926 63.200 0.458 0.000 0.919 174 S HN 0.386 nan 8.310 nan 0.000 0.515 175 S N 2.720 118.389 115.700 -0.051 0.000 2.498 175 S HA 0.825 5.293 4.470 -0.003 0.000 0.317 175 S C -0.616 173.711 174.600 -0.455 0.000 1.090 175 S CA -0.813 57.174 58.200 -0.355 0.000 1.089 175 S CB 0.250 63.286 63.200 -0.274 0.000 0.997 175 S HN 0.596 nan 8.310 nan 0.000 0.470 176 F N -0.675 118.924 119.950 -0.586 0.000 2.869 176 F HA 0.835 5.360 4.527 -0.003 0.000 0.325 176 F C -0.473 175.063 175.800 -0.439 0.000 1.184 176 F CA -1.350 56.212 58.000 -0.731 0.000 0.951 176 F CB 0.860 39.149 39.000 -1.185 0.000 1.421 176 F HN 0.396 nan 8.300 nan 0.000 0.501 177 S N 0.237 115.887 115.700 -0.084 0.000 2.433 177 S HA 0.263 4.731 4.470 -0.003 0.000 0.310 177 S C -0.893 173.748 174.600 0.068 0.000 1.097 177 S CA -0.571 57.582 58.200 -0.078 0.000 1.103 177 S CB 0.752 63.924 63.200 -0.047 0.000 0.992 177 S HN 0.572 nan 8.310 nan 0.000 0.469 178 E N 2.909 123.116 120.200 0.012 0.000 2.089 178 E HA 0.207 4.555 4.350 -0.003 0.000 0.284 178 E C 0.112 176.774 176.600 0.103 0.000 1.023 178 E CA -0.151 56.325 56.400 0.128 0.000 0.819 178 E CB 0.474 30.236 29.700 0.103 0.000 1.076 178 E HN 0.520 nan 8.360 nan 0.000 0.396 179 K N 2.660 123.140 120.400 0.134 0.000 2.354 179 K HA 0.084 4.402 4.320 -0.003 0.000 0.194 179 K C -0.427 176.241 176.600 0.114 0.000 1.045 179 K CA 0.416 56.762 56.287 0.099 0.000 1.026 179 K CB 0.424 32.975 32.500 0.086 0.000 0.866 179 K HN 0.551 nan 8.250 nan 0.000 0.530 180 D N -2.879 117.624 120.400 0.172 0.000 2.879 180 D HA 0.116 4.754 4.640 -0.003 0.000 0.346 180 D C -0.071 176.375 176.300 0.244 0.000 1.390 180 D CA -0.745 53.353 54.000 0.163 0.000 0.838 180 D CB 0.185 41.057 40.800 0.119 0.000 1.416 180 D HN -0.132 nan 8.370 nan 0.000 0.493 181 G N -1.317 107.569 108.800 0.142 0.000 3.839 181 G HA2 0.102 4.060 3.960 -0.003 0.000 0.286 181 G HA3 0.102 4.060 3.960 -0.003 0.000 0.286 181 G C 0.539 175.386 174.900 -0.088 0.000 1.005 181 G CA -0.295 44.821 45.100 0.026 0.000 0.824 181 G HN 0.439 nan 8.290 nan 0.000 0.489 182 K N 0.617 121.045 120.400 0.046 0.000 2.442 182 K HA -0.063 4.255 4.320 -0.003 0.000 0.198 182 K C 2.056 178.702 176.600 0.077 0.000 1.042 182 K CA 0.597 56.903 56.287 0.031 0.000 0.958 182 K CB -0.209 32.310 32.500 0.032 0.000 0.766 182 K HN 0.599 nan 8.250 nan 0.000 0.474 183 W N 1.483 122.791 121.300 0.013 0.000 2.381 183 W HA -0.078 4.580 4.660 -0.003 0.000 0.301 183 W C 1.373 177.876 176.519 -0.026 0.000 1.205 183 W CA 0.213 57.550 57.345 -0.012 0.000 1.285 183 W CB -0.887 28.549 29.460 -0.040 0.000 1.133 183 W HN -0.020 nan 8.180 nan 0.000 0.521 184 L N 0.547 121.045 121.223 -1.208 0.000 2.093 184 L HA -0.216 4.122 4.340 -0.003 0.000 0.208 184 L C 2.906 179.528 176.870 -0.412 0.000 1.085 184 L CA 2.259 56.448 54.840 -1.085 0.000 0.755 184 L CB -0.807 40.493 42.059 -1.265 0.000 0.904 184 L HN 0.077 nan 8.230 nan 0.000 0.435 185 H N -0.569 118.296 119.070 -0.342 0.000 2.423 185 H HA -0.235 4.319 4.556 -0.003 0.000 0.297 185 H C 2.116 177.392 175.328 -0.086 0.000 1.075 185 H CA 1.790 57.734 56.048 -0.173 0.000 1.342 185 H CB 0.372 30.062 29.762 -0.121 0.000 1.395 185 H HN 0.262 nan 8.280 nan 0.000 0.530 186 E N 0.208 120.473 120.200 0.108 0.000 2.150 186 E HA -0.098 4.250 4.350 -0.003 0.000 0.193 186 E C 2.091 178.748 176.600 0.096 0.000 0.985 186 E CA 0.782 57.269 56.400 0.145 0.000 0.814 186 E CB -0.241 29.534 29.700 0.124 0.000 0.752 186 E HN 0.549 nan 8.360 nan 0.000 0.466 187 L N -0.048 121.184 121.223 0.015 0.000 1.976 187 L HA -0.185 4.153 4.340 -0.003 0.000 0.209 187 L C 2.492 179.342 176.870 -0.035 0.000 1.071 187 L CA 1.192 56.036 54.840 0.006 0.000 0.746 187 L CB -0.764 41.282 42.059 -0.023 0.000 0.890 187 L HN 0.276 nan 8.230 nan 0.000 0.432 188 A N -0.319 122.429 122.820 -0.121 0.000 1.863 188 A HA -0.368 3.950 4.320 -0.003 0.000 0.218 188 A C 2.118 179.604 177.584 -0.164 0.000 1.233 188 A CA 2.374 54.307 52.037 -0.173 0.000 0.655 188 A CB -0.970 17.844 19.000 -0.309 0.000 0.839 188 A HN 0.539 nan 8.150 nan 0.000 0.454 189 Q N -2.321 117.365 119.800 -0.189 0.000 2.234 189 Q HA -0.187 4.151 4.340 -0.003 0.000 0.206 189 Q C 1.317 177.059 176.000 -0.429 0.000 0.980 189 Q CA 1.579 57.221 55.803 -0.267 0.000 0.869 189 Q CB -0.101 28.530 28.738 -0.178 0.000 0.912 189 Q HN 0.882 nan 8.270 nan 0.000 0.436 190 H N -2.688 116.360 119.070 -0.037 0.000 3.622 190 H HA 0.170 4.725 4.556 -0.003 0.000 0.259 190 H C -0.220 175.097 175.328 -0.018 0.000 1.145 190 H CA -0.208 55.827 56.048 -0.022 0.000 1.178 190 H CB 0.581 30.335 29.762 -0.013 0.000 1.542 190 H HN 0.104 nan 8.280 nan 0.000 0.586 191 N N 0.419 119.164 118.700 0.075 0.000 2.498 191 N HA 0.109 4.847 4.740 -0.003 0.000 0.287 191 N C 0.485 176.006 175.510 0.018 0.000 1.097 191 N CA 0.243 53.321 53.050 0.047 0.000 0.973 191 N CB 1.710 40.223 38.487 0.043 0.000 1.153 191 N HN -0.111 nan 8.380 nan 0.000 0.472 192 T N -0.551 114.013 114.554 0.017 0.000 3.010 192 T HA 0.017 4.365 4.350 -0.003 0.000 0.252 192 T C 1.382 176.086 174.700 0.006 0.000 0.963 192 T CA 0.166 62.269 62.100 0.006 0.000 0.952 192 T CB 0.001 68.872 68.868 0.005 0.000 1.182 192 T HN 0.617 nan 8.240 nan 0.000 0.495 193 S N 1.288 116.994 115.700 0.010 0.000 2.496 193 S HA 0.206 4.674 4.470 -0.003 0.000 0.224 193 S C 0.727 175.332 174.600 0.008 0.000 0.996 193 S CA -0.264 57.940 58.200 0.007 0.000 0.927 193 S CB -0.429 62.775 63.200 0.007 0.000 0.774 193 S HN 0.217 nan 8.310 nan 0.000 0.524 194 L N 2.702 123.934 121.223 0.014 0.000 2.678 194 L HA -0.009 4.329 4.340 -0.003 0.000 0.285 194 L C 1.096 177.974 176.870 0.014 0.000 1.233 194 L CA 0.953 55.804 54.840 0.019 0.000 0.920 194 L CB -0.030 42.048 42.059 0.031 0.000 1.176 194 L HN 0.261 nan 8.230 nan 0.000 0.495 195 E N 2.326 122.531 120.200 0.008 0.000 2.378 195 E HA 0.171 4.519 4.350 -0.003 0.000 0.200 195 E C -0.705 175.897 176.600 0.004 0.000 0.882 195 E CA 0.119 56.521 56.400 0.003 0.000 1.061 195 E CB 0.936 30.632 29.700 -0.006 0.000 1.049 195 E HN 0.404 nan 8.360 nan 0.000 0.494 196 V N 1.735 121.648 119.914 -0.002 0.000 2.656 196 V HA 0.548 4.666 4.120 -0.003 0.000 0.307 196 V C -1.909 174.184 176.094 -0.002 0.000 1.051 196 V CA -0.823 61.471 62.300 -0.010 0.000 0.893 196 V CB 1.853 33.658 31.823 -0.030 0.000 0.999 196 V HN 0.070 nan 8.190 nan 0.000 0.426 197 L N 5.986 127.204 121.223 -0.008 0.000 2.406 197 L HA 0.734 5.072 4.340 -0.003 0.000 0.272 197 L C -1.161 175.670 176.870 -0.065 0.000 0.980 197 L CA -0.083 54.770 54.840 0.022 0.000 0.831 197 L CB 1.811 43.905 42.059 0.058 0.000 1.253 197 L HN 0.852 nan 8.230 nan 0.000 0.406 198 N N 4.896 123.595 118.700 -0.000 0.000 2.558 198 N HA 0.388 5.126 4.740 -0.003 0.000 0.285 198 N C -1.685 173.894 175.510 0.115 0.000 1.112 198 N CA -0.457 52.546 53.050 -0.078 0.000 0.857 198 N CB 0.746 39.201 38.487 -0.053 0.000 1.376 198 N HN 0.444 nan 8.380 nan 0.000 0.526 199 F N 3.046 123.061 119.950 0.109 0.000 2.542 199 F HA 0.390 4.915 4.527 -0.003 0.000 0.323 199 F C 0.492 176.439 175.800 0.244 0.000 1.411 199 F CA -0.964 57.164 58.000 0.214 0.000 1.124 199 F CB -0.120 39.076 39.000 0.327 0.000 1.331 199 F HN 0.235 nan 8.300 nan 0.000 0.560 200 Y N 1.958 122.282 120.300 0.040 0.000 2.109 200 Y HA 0.124 4.672 4.550 -0.003 0.000 0.285 200 Y C 0.985 176.873 175.900 -0.020 0.000 1.131 200 Y CA 1.342 59.411 58.100 -0.052 0.000 1.121 200 Y CB 0.059 38.474 38.460 -0.075 0.000 0.987 200 Y HN 0.388 nan 8.280 nan 0.000 0.495 201 M N 1.659 121.212 119.600 -0.080 0.000 3.347 201 M HA 0.209 4.687 4.480 -0.003 0.000 0.260 201 M C -0.814 175.455 176.300 -0.051 0.000 1.362 201 M CA 0.106 55.263 55.300 -0.238 0.000 1.497 201 M CB 0.268 32.691 32.600 -0.295 0.000 1.080 201 M HN 0.204 nan 8.290 nan 0.000 0.592 202 T N -2.244 112.342 114.554 0.053 0.000 2.971 202 T HA 0.444 4.792 4.350 -0.003 0.000 0.304 202 T C -0.560 174.156 174.700 0.026 0.000 1.038 202 T CA -1.108 61.047 62.100 0.091 0.000 1.007 202 T CB 1.480 70.602 68.868 0.422 0.000 1.055 202 T HN 0.298 nan 8.240 nan 0.000 0.451 203 E N 3.023 123.091 120.200 -0.220 0.000 1.861 203 E HA 0.246 4.594 4.350 -0.003 0.000 0.263 203 E C -1.118 175.311 176.600 -0.286 0.000 1.137 203 E CA -0.176 56.094 56.400 -0.216 0.000 0.944 203 E CB -0.148 29.385 29.700 -0.279 0.000 1.092 203 E HN 0.552 nan 8.360 nan 0.000 0.420 204 F N 0.682 120.637 119.950 0.009 0.000 2.427 204 F HA 0.397 4.922 4.527 -0.003 0.000 0.346 204 F C 0.934 176.702 175.800 -0.054 0.000 1.120 204 F CA -0.627 57.390 58.000 0.028 0.000 1.033 204 F CB 1.864 40.876 39.000 0.021 0.000 1.126 204 F HN 0.400 nan 8.300 nan 0.000 0.462 205 A N 2.879 125.795 122.820 0.160 0.000 2.551 205 A HA 0.283 4.601 4.320 -0.003 0.000 0.252 205 A C 0.869 178.506 177.584 0.089 0.000 1.199 205 A CA -0.175 51.905 52.037 0.072 0.000 0.972 205 A CB 0.073 19.092 19.000 0.032 0.000 1.153 205 A HN 0.713 nan 8.150 nan 0.000 0.559 206 K N 0.714 121.201 120.400 0.145 0.000 2.506 206 K HA 0.313 4.631 4.320 -0.003 0.000 0.204 206 K C -0.324 176.329 176.600 0.089 0.000 1.045 206 K CA -0.030 56.329 56.287 0.121 0.000 1.074 206 K CB 0.517 33.101 32.500 0.140 0.000 0.842 206 K HN 0.675 nan 8.250 nan 0.000 0.514 207 I N -1.669 118.932 120.570 0.052 0.000 2.359 207 I HA 0.349 4.517 4.170 -0.003 0.000 0.294 207 I C 0.006 176.204 176.117 0.135 0.000 0.987 207 I CA -0.710 60.573 61.300 -0.029 0.000 1.225 207 I CB 1.805 39.663 38.000 -0.237 0.000 1.366 207 I HN -0.207 nan 8.210 nan 0.000 0.466 208 S N 6.738 122.492 115.700 0.090 0.000 2.523 208 S HA 0.364 4.832 4.470 -0.003 0.000 0.275 208 S C -1.087 173.580 174.600 0.111 0.000 1.281 208 S CA -1.409 56.866 58.200 0.125 0.000 1.050 208 S CB 0.840 64.075 63.200 0.058 0.000 0.937 208 S HN 0.647 nan 8.310 nan 0.000 0.492 209 P HA -0.087 nan 4.420 nan 0.000 0.221 209 P C 0.903 178.058 177.300 -0.242 0.000 1.150 209 P CA 0.837 63.679 63.100 -0.429 0.000 0.800 209 P CB 0.129 31.454 31.700 -0.625 0.000 0.787 210 K N 0.102 120.429 120.400 -0.120 0.000 2.152 210 K HA -0.150 4.168 4.320 -0.003 0.000 0.206 210 K C 1.592 178.124 176.600 -0.112 0.000 1.048 210 K CA 1.175 57.407 56.287 -0.092 0.000 0.933 210 K CB -0.628 31.843 32.500 -0.050 0.000 0.721 210 K HN 0.226 nan 8.250 nan 0.000 0.447 211 D N 0.863 121.188 120.400 -0.124 0.000 2.123 211 D HA -0.107 4.531 4.640 -0.003 0.000 0.200 211 D C 1.917 178.121 176.300 -0.160 0.000 0.976 211 D CA 0.470 54.364 54.000 -0.176 0.000 0.831 211 D CB -0.098 40.586 40.800 -0.195 0.000 0.974 211 D HN -0.005 nan 8.370 nan 0.000 0.469 212 L N 1.650 122.776 121.223 -0.162 0.000 2.079 212 L HA -0.142 4.196 4.340 -0.003 0.000 0.210 212 L C 2.096 178.922 176.870 -0.073 0.000 1.081 212 L CA 1.744 56.477 54.840 -0.177 0.000 0.752 212 L CB -0.629 41.230 42.059 -0.333 0.000 0.896 212 L HN 0.017 nan 8.230 nan 0.000 0.433 213 E N -1.422 118.743 120.200 -0.059 0.000 2.028 213 E HA -0.263 4.085 4.350 -0.003 0.000 0.191 213 E C 2.033 178.641 176.600 0.013 0.000 0.988 213 E CA 1.656 58.086 56.400 0.050 0.000 0.799 213 E CB -0.232 29.459 29.700 -0.014 0.000 0.755 213 E HN 0.520 nan 8.360 nan 0.000 0.447 214 T N -0.172 114.351 114.554 -0.052 0.000 2.977 214 T HA -0.091 4.258 4.350 -0.003 0.000 0.271 214 T C 1.826 176.492 174.700 -0.057 0.000 1.105 214 T CA 0.964 63.022 62.100 -0.071 0.000 1.116 214 T CB -0.265 68.532 68.868 -0.118 0.000 0.878 214 T HN 0.206 nan 8.240 nan 0.000 0.509 215 I N 0.826 121.374 120.570 -0.037 0.000 2.277 215 I HA 0.024 4.192 4.170 -0.003 0.000 0.243 215 I C 3.038 179.172 176.117 0.028 0.000 1.094 215 I CA 0.960 62.251 61.300 -0.014 0.000 1.393 215 I CB -0.571 37.425 38.000 -0.007 0.000 1.078 215 I HN 0.322 nan 8.210 nan 0.000 0.417 216 A N 0.675 123.549 122.820 0.090 0.000 1.978 216 A HA -0.258 4.060 4.320 -0.003 0.000 0.220 216 A C 2.347 179.921 177.584 -0.016 0.000 1.170 216 A CA 1.752 53.831 52.037 0.070 0.000 0.636 216 A CB -0.609 18.443 19.000 0.086 0.000 0.810 216 A HN 0.310 nan 8.150 nan 0.000 0.448 217 R N -0.693 119.794 120.500 -0.021 0.000 2.115 217 R HA -0.037 4.301 4.340 -0.003 0.000 0.226 217 R C 1.336 177.614 176.300 -0.037 0.000 1.100 217 R CA 1.431 57.508 56.100 -0.040 0.000 0.980 217 R CB -0.060 30.214 30.300 -0.043 0.000 0.875 217 R HN 0.493 nan 8.270 nan 0.000 0.445 218 N N -1.252 117.430 118.700 -0.031 0.000 2.388 218 N HA 0.039 4.777 4.740 -0.003 0.000 0.176 218 N C -0.597 174.901 175.510 -0.020 0.000 1.062 218 N CA 0.392 53.423 53.050 -0.031 0.000 0.895 218 N CB 0.604 39.067 38.487 -0.040 0.000 1.018 218 N HN 0.088 nan 8.380 nan 0.000 0.456 219 C N 1.863 121.157 119.300 -0.011 0.000 2.184 219 C HA 0.393 4.851 4.460 -0.003 0.000 0.328 219 C C 1.567 176.552 174.990 -0.009 0.000 1.081 219 C CA -0.881 58.134 59.018 -0.004 0.000 1.533 219 C CB -0.124 27.622 27.740 0.010 0.000 1.905 219 C HN 0.167 nan 8.230 nan 0.000 0.439 220 R N 0.995 121.487 120.500 -0.015 0.000 2.241 220 R HA -0.053 4.285 4.340 -0.003 0.000 0.224 220 R C 1.769 178.059 176.300 -0.017 0.000 1.101 220 R CA 0.931 57.019 56.100 -0.020 0.000 0.995 220 R CB -0.204 30.084 30.300 -0.020 0.000 0.870 220 R HN 0.594 nan 8.270 nan 0.000 0.463 221 S N -0.089 115.605 115.700 -0.010 0.000 2.597 221 S HA 0.167 4.635 4.470 -0.003 0.000 0.224 221 S C -0.156 174.442 174.600 -0.004 0.000 0.955 221 S CA -0.515 57.680 58.200 -0.009 0.000 0.933 221 S CB 0.053 63.249 63.200 -0.008 0.000 0.788 221 S HN 0.060 nan 8.310 nan 0.000 0.488 222 L N 2.464 123.687 121.223 0.001 0.000 2.530 222 L HA 0.145 4.483 4.340 -0.003 0.000 0.273 222 L C 0.735 177.613 176.870 0.013 0.000 1.141 222 L CA 0.681 55.531 54.840 0.016 0.000 0.905 222 L CB 0.421 42.501 42.059 0.034 0.000 1.202 222 L HN 0.016 nan 8.230 nan 0.000 0.473 223 V N 2.493 122.416 119.914 0.015 0.000 3.307 223 V HA 0.262 4.380 4.120 -0.003 0.000 0.244 223 V C 0.617 176.725 176.094 0.023 0.000 1.196 223 V CA 0.766 63.072 62.300 0.011 0.000 1.132 223 V CB 0.700 32.522 31.823 -0.002 0.000 0.875 223 V HN 0.781 nan 8.190 nan 0.000 0.468 224 S N -0.049 115.662 115.700 0.019 0.000 2.549 224 S HA 0.728 5.196 4.470 -0.003 0.000 0.280 224 S C -1.534 173.061 174.600 -0.008 0.000 1.109 224 S CA -0.235 57.969 58.200 0.006 0.000 0.905 224 S CB 1.977 65.157 63.200 -0.033 0.000 1.081 224 S HN 0.530 nan 8.310 nan 0.000 0.477 225 V N 4.253 124.140 119.914 -0.044 0.000 2.789 225 V HA 0.681 4.799 4.120 -0.003 0.000 0.300 225 V C -1.845 173.984 176.094 -0.443 0.000 1.184 225 V CA -0.556 61.643 62.300 -0.169 0.000 0.930 225 V CB 1.607 33.400 31.823 -0.050 0.000 1.041 225 V HN 0.998 nan 8.190 nan 0.000 0.430 226 K N 4.512 124.585 120.400 -0.546 0.000 2.267 226 K HA 0.933 5.251 4.320 -0.003 0.000 0.246 226 K C -1.387 174.760 176.600 -0.755 0.000 0.954 226 K CA -0.873 54.992 56.287 -0.705 0.000 0.824 226 K CB 2.735 34.875 32.500 -0.600 0.000 1.167 226 K HN 0.568 nan 8.250 nan 0.000 0.431 227 V N 0.226 119.805 119.914 -0.558 0.000 3.206 227 V HA 0.403 4.521 4.120 -0.003 0.000 0.305 227 V C 0.355 176.476 176.094 0.046 0.000 1.257 227 V CA -0.624 61.412 62.300 -0.439 0.000 1.057 227 V CB 2.256 33.912 31.823 -0.278 0.000 1.075 227 V HN 1.013 nan 8.190 nan 0.000 0.443 228 G N -0.277 108.663 108.800 0.234 0.000 2.803 228 G HA2 0.132 4.090 3.960 -0.003 0.000 0.177 228 G HA3 0.132 4.090 3.960 -0.003 0.000 0.177 228 G C -0.112 174.887 174.900 0.165 0.000 1.629 228 G CA 0.139 45.375 45.100 0.227 0.000 1.077 228 G HN 0.658 nan 8.290 nan 0.000 0.556 229 D N 0.182 120.652 120.400 0.116 0.000 2.889 229 D HA 0.244 4.882 4.640 -0.003 0.000 0.243 229 D C -0.030 176.388 176.300 0.196 0.000 1.270 229 D CA -0.238 53.871 54.000 0.182 0.000 0.838 229 D CB -0.390 40.504 40.800 0.156 0.000 1.040 229 D HN 0.105 nan 8.370 nan 0.000 0.480 230 F N 1.152 121.226 119.950 0.206 0.000 2.595 230 F HA -0.061 4.464 4.527 -0.003 0.000 0.359 230 F C 1.596 177.508 175.800 0.187 0.000 1.147 230 F CA 0.053 58.158 58.000 0.174 0.000 1.341 230 F CB 0.778 39.871 39.000 0.155 0.000 1.104 230 F HN -0.188 nan 8.300 nan 0.000 0.603 231 E N 3.484 123.940 120.200 0.426 0.000 2.217 231 E HA 0.052 4.400 4.350 -0.003 0.000 0.279 231 E C 0.912 177.683 176.600 0.284 0.000 1.068 231 E CA -0.057 56.526 56.400 0.306 0.000 0.882 231 E CB 0.927 30.770 29.700 0.239 0.000 1.039 231 E HN 0.544 nan 8.360 nan 0.000 0.418 232 I N 4.562 125.311 120.570 0.298 0.000 2.236 232 I HA -0.346 3.822 4.170 -0.003 0.000 0.249 232 I C 2.151 178.429 176.117 0.270 0.000 1.102 232 I CA 1.125 62.595 61.300 0.283 0.000 1.365 232 I CB -0.087 38.020 38.000 0.179 0.000 1.051 232 I HN 0.617 nan 8.210 nan 0.000 0.420 233 L N -0.267 121.136 121.223 0.300 0.000 2.127 233 L HA -0.243 4.095 4.340 -0.003 0.000 0.211 233 L C 2.127 179.061 176.870 0.107 0.000 1.089 233 L CA 1.434 56.390 54.840 0.194 0.000 0.757 233 L CB -0.563 41.576 42.059 0.134 0.000 0.899 233 L HN 0.345 nan 8.230 nan 0.000 0.434 234 E N -0.327 119.925 120.200 0.087 0.000 2.478 234 E HA -0.100 4.248 4.350 -0.003 0.000 0.198 234 E C 1.753 178.313 176.600 -0.066 0.000 1.046 234 E CA 0.367 56.768 56.400 0.003 0.000 0.870 234 E CB 0.174 29.867 29.700 -0.011 0.000 0.818 234 E HN 0.519 nan 8.360 nan 0.000 0.527 235 L N 0.112 121.334 121.223 -0.003 0.000 2.640 235 L HA 0.029 4.367 4.340 -0.003 0.000 0.230 235 L C 1.754 178.705 176.870 0.135 0.000 1.123 235 L CA -0.141 54.676 54.840 -0.039 0.000 0.900 235 L CB 0.475 42.481 42.059 -0.088 0.000 1.146 235 L HN 0.022 nan 8.230 nan 0.000 0.484 236 V N 0.099 120.114 119.914 0.167 0.000 2.392 236 V HA -0.218 3.900 4.120 -0.003 0.000 0.249 236 V C 2.612 178.758 176.094 0.087 0.000 1.059 236 V CA 2.069 64.469 62.300 0.166 0.000 1.051 236 V CB -1.326 30.526 31.823 0.050 0.000 0.658 236 V HN 0.578 nan 8.190 nan 0.000 0.455 237 G N -0.379 108.442 108.800 0.036 0.000 2.440 237 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.218 237 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.218 237 G C 1.472 176.373 174.900 0.001 0.000 1.154 237 G CA 1.100 46.202 45.100 0.004 0.000 0.767 237 G HN 0.487 nan 8.290 nan 0.000 0.552 238 F N 1.220 121.070 119.950 -0.166 0.000 2.011 238 F HA -0.047 4.478 4.527 -0.003 0.000 0.296 238 F C 2.435 178.118 175.800 -0.195 0.000 1.144 238 F CA 1.602 59.456 58.000 -0.243 0.000 1.185 238 F CB -0.773 37.979 39.000 -0.413 0.000 0.961 238 F HN 0.134 nan 8.300 nan 0.000 0.485 239 F N 0.897 120.629 119.950 -0.364 0.000 2.115 239 F HA -0.262 4.263 4.527 -0.003 0.000 0.300 239 F C 2.467 178.046 175.800 -0.369 0.000 1.092 239 F CA 1.897 59.605 58.000 -0.486 0.000 1.245 239 F CB -0.610 38.194 39.000 -0.326 0.000 0.995 239 F HN -0.019 nan 8.300 nan 0.000 0.481 240 K N -0.140 120.224 120.400 -0.060 0.000 2.097 240 K HA -0.119 4.199 4.320 -0.003 0.000 0.206 240 K C 2.216 178.743 176.600 -0.121 0.000 1.049 240 K CA 1.227 57.465 56.287 -0.081 0.000 0.933 240 K CB -0.385 32.082 32.500 -0.056 0.000 0.717 240 K HN 0.261 nan 8.250 nan 0.000 0.442 241 A N 0.965 123.688 122.820 -0.162 0.000 2.072 241 A HA 0.130 4.448 4.320 -0.003 0.000 0.216 241 A C 1.569 179.034 177.584 -0.198 0.000 1.156 241 A CA 0.749 52.696 52.037 -0.149 0.000 0.701 241 A CB 0.015 18.949 19.000 -0.110 0.000 0.816 241 A HN 0.232 nan 8.150 nan 0.000 0.458 242 A N 0.201 122.813 122.820 -0.346 0.000 3.074 242 A HA 0.573 4.891 4.320 -0.003 0.000 0.251 242 A C 1.634 179.097 177.584 -0.203 0.000 1.695 242 A CA 0.657 52.477 52.037 -0.362 0.000 1.343 242 A CB -1.115 17.416 19.000 -0.781 0.000 1.078 242 A HN 0.823 nan 8.150 nan 0.000 0.644 243 A N 1.440 124.179 122.820 -0.135 0.000 1.859 243 A HA -0.240 4.078 4.320 -0.003 0.000 0.218 243 A C 1.719 179.259 177.584 -0.074 0.000 1.209 243 A CA 2.075 54.056 52.037 -0.093 0.000 0.639 243 A CB -0.501 18.456 19.000 -0.072 0.000 0.835 243 A HN 0.574 nan 8.150 nan 0.000 0.450 244 N N -0.381 118.283 118.700 -0.060 0.000 2.515 244 N HA 0.079 4.817 4.740 -0.003 0.000 0.191 244 N C -0.032 175.460 175.510 -0.031 0.000 1.182 244 N CA -0.081 52.944 53.050 -0.041 0.000 0.879 244 N CB -0.548 37.920 38.487 -0.031 0.000 0.984 244 N HN 0.398 nan 8.380 nan 0.000 0.453 245 L N 1.428 122.629 121.223 -0.036 0.000 2.534 245 L HA -0.027 4.312 4.340 -0.003 0.000 0.271 245 L C 1.038 177.916 176.870 0.013 0.000 1.178 245 L CA 0.806 55.647 54.840 0.002 0.000 0.907 245 L CB 0.364 42.427 42.059 0.006 0.000 1.164 245 L HN 0.169 nan 8.230 nan 0.000 0.482 246 E N 2.792 123.007 120.200 0.025 0.000 2.413 246 E HA 0.109 4.457 4.350 -0.003 0.000 0.203 246 E C -0.183 176.442 176.600 0.042 0.000 0.957 246 E CA 0.076 56.486 56.400 0.017 0.000 0.950 246 E CB 0.751 30.453 29.700 0.003 0.000 0.957 246 E HN 0.681 nan 8.360 nan 0.000 0.497 247 E N 0.484 120.726 120.200 0.070 0.000 2.275 247 E HA 0.395 4.743 4.350 -0.003 0.000 0.270 247 E C -1.862 174.840 176.600 0.169 0.000 0.882 247 E CA -0.616 55.828 56.400 0.075 0.000 0.758 247 E CB 1.570 31.271 29.700 0.002 0.000 1.195 247 E HN -0.039 nan 8.360 nan 0.000 0.419 248 F N 4.935 124.902 119.950 0.028 0.000 2.653 248 F HA 0.503 5.028 4.527 -0.003 0.000 0.327 248 F C -1.577 174.211 175.800 -0.019 0.000 1.195 248 F CA -0.515 57.521 58.000 0.061 0.000 0.993 248 F CB 0.858 40.018 39.000 0.267 0.000 1.259 248 F HN 0.563 nan 8.300 nan 0.000 0.478 249 C N 3.944 122.916 119.300 -0.548 0.000 2.562 249 C HA 1.017 5.475 4.460 -0.003 0.000 0.332 249 C C 0.685 175.268 174.990 -0.680 0.000 1.201 249 C CA 0.244 58.961 59.018 -0.503 0.000 1.803 249 C CB 0.739 27.921 27.740 -0.930 0.000 2.328 249 C HN 1.334 nan 8.230 nan 0.000 0.500 250 G N 0.766 109.527 108.800 -0.065 0.000 2.418 250 G HA2 0.477 4.435 3.960 -0.003 0.000 0.206 250 G HA3 0.477 4.435 3.960 -0.003 0.000 0.206 250 G C 0.171 175.285 174.900 0.357 0.000 1.202 250 G CA 0.142 45.329 45.100 0.145 0.000 1.061 250 G HN 2.619 nan 8.290 nan 0.000 0.563 251 G N -1.342 107.680 108.800 0.369 0.000 2.645 251 G HA2 0.378 4.336 3.960 -0.003 0.000 0.246 251 G HA3 0.378 4.336 3.960 -0.003 0.000 0.246 251 G C 0.359 175.492 174.900 0.388 0.000 1.322 251 G CA 1.284 46.672 45.100 0.480 0.000 0.898 251 G HN 2.567 nan 8.290 nan 0.000 0.573 252 S N -1.376 114.548 115.700 0.373 0.000 2.592 252 S HA 0.577 5.045 4.470 -0.003 0.000 0.275 252 S C -0.762 173.989 174.600 0.252 0.000 1.169 252 S CA -0.507 57.927 58.200 0.390 0.000 0.958 252 S CB 0.927 64.340 63.200 0.354 0.000 1.095 252 S HN 1.047 nan 8.310 nan 0.000 0.471 253 L N 5.205 126.554 121.223 0.209 0.000 2.297 253 L HA 0.496 4.834 4.340 -0.003 0.000 0.277 253 L C -0.391 176.572 176.870 0.155 0.000 1.040 253 L CA -0.575 54.270 54.840 0.010 0.000 0.867 253 L CB 0.690 42.674 42.059 -0.126 0.000 1.244 253 L HN 0.583 nan 8.230 nan 0.000 0.433 254 N N 3.715 122.576 118.700 0.268 0.000 2.457 254 N HA 0.180 4.918 4.740 -0.003 0.000 0.250 254 N C -0.555 175.122 175.510 0.278 0.000 0.982 254 N CA -0.458 52.720 53.050 0.213 0.000 0.941 254 N CB 1.714 40.291 38.487 0.150 0.000 1.120 254 N HN 0.549 nan 8.380 nan 0.000 0.505 255 E N 0.625 120.945 120.200 0.200 0.000 2.109 255 E HA 0.197 4.546 4.350 -0.003 0.000 0.278 255 E C -0.847 175.799 176.600 0.077 0.000 0.954 255 E CA -0.923 55.575 56.400 0.163 0.000 0.779 255 E CB 0.852 30.649 29.700 0.161 0.000 1.093 255 E HN 0.387 nan 8.360 nan 0.000 0.401 256 D N 4.335 124.758 120.400 0.039 0.000 2.229 256 D HA 0.078 4.716 4.640 -0.003 0.000 0.249 256 D C 0.904 177.210 176.300 0.010 0.000 1.027 256 D CA -0.759 53.252 54.000 0.018 0.000 0.923 256 D CB 1.225 42.028 40.800 0.005 0.000 1.174 256 D HN 0.350 nan 8.370 nan 0.000 0.443 257 I N 1.143 121.719 120.570 0.011 0.000 2.676 257 I HA -0.042 4.126 4.170 -0.003 0.000 0.259 257 I C 2.301 178.418 176.117 -0.000 0.000 1.194 257 I CA 0.639 61.945 61.300 0.010 0.000 1.473 257 I CB -1.542 36.465 38.000 0.012 0.000 1.096 257 I HN 0.660 nan 8.210 nan 0.000 0.443 258 G N 0.721 109.517 108.800 -0.007 0.000 2.708 258 G HA2 -0.040 3.918 3.960 -0.003 0.000 0.210 258 G HA3 -0.040 3.918 3.960 -0.003 0.000 0.210 258 G C 0.870 175.755 174.900 -0.025 0.000 1.141 258 G CA 0.115 45.207 45.100 -0.013 0.000 0.788 258 G HN 0.305 nan 8.290 nan 0.000 0.531 259 M N -0.058 119.522 119.600 -0.032 0.000 2.032 259 M HA 0.196 4.674 4.480 -0.003 0.000 0.221 259 M C -2.409 173.866 176.300 -0.041 0.000 0.941 259 M CA -1.224 54.044 55.300 -0.052 0.000 0.895 259 M CB 2.759 35.301 32.600 -0.098 0.000 2.146 259 M HN -0.151 nan 8.290 nan 0.000 0.366 260 P HA -0.052 nan 4.420 nan 0.000 0.219 260 P C 0.069 177.373 177.300 0.007 0.000 1.150 260 P CA 1.115 64.218 63.100 0.005 0.000 0.814 260 P CB 0.342 32.048 31.700 0.010 0.000 0.787 261 E N -0.396 119.796 120.200 -0.013 0.000 2.698 261 E HA 0.070 4.418 4.350 -0.003 0.000 0.242 261 E C 1.118 177.682 176.600 -0.059 0.000 1.243 261 E CA -0.204 56.189 56.400 -0.012 0.000 1.483 261 E CB 0.055 29.753 29.700 -0.004 0.000 1.495 261 E HN 0.153 nan 8.360 nan 0.000 0.440 262 K N 0.105 120.431 120.400 -0.123 0.000 2.007 262 K HA -0.084 4.234 4.320 -0.003 0.000 0.206 262 K C 0.557 176.963 176.600 -0.323 0.000 1.047 262 K CA 1.123 57.229 56.287 -0.303 0.000 0.937 262 K CB 0.203 32.381 32.500 -0.536 0.000 0.718 262 K HN 0.289 nan 8.250 nan 0.000 0.438 263 Y N -0.001 120.300 120.300 0.001 0.000 2.645 263 Y HA 0.167 4.715 4.550 -0.003 0.000 0.307 263 Y C 0.826 176.716 175.900 -0.017 0.000 1.151 263 Y CA -0.665 57.429 58.100 -0.011 0.000 1.291 263 Y CB 0.645 39.109 38.460 0.007 0.000 1.135 263 Y HN 0.030 nan 8.280 nan 0.000 0.523 264 M N -0.428 119.219 119.600 0.079 0.000 2.431 264 M HA 0.125 4.603 4.480 -0.003 0.000 0.237 264 M C -0.059 176.258 176.300 0.029 0.000 1.130 264 M CA 0.511 55.846 55.300 0.060 0.000 1.002 264 M CB -0.293 32.334 32.600 0.045 0.000 1.524 264 M HN 0.193 nan 8.290 nan 0.000 0.482 265 N N 0.641 119.345 118.700 0.006 0.000 2.598 265 N HA 0.215 4.953 4.740 -0.003 0.000 0.309 265 N C -1.092 174.376 175.510 -0.071 0.000 1.645 265 N CA -0.069 52.967 53.050 -0.024 0.000 0.936 265 N CB 0.860 39.329 38.487 -0.029 0.000 1.323 265 N HN 0.055 nan 8.380 nan 0.000 0.497 266 L N 1.788 122.950 121.223 -0.102 0.000 2.257 266 L HA 0.343 4.681 4.340 -0.003 0.000 0.290 266 L C 0.296 176.967 176.870 -0.332 0.000 1.044 266 L CA -0.647 54.008 54.840 -0.308 0.000 0.810 266 L CB 0.987 42.762 42.059 -0.474 0.000 1.193 266 L HN 0.007 nan 8.230 nan 0.000 0.425 267 V N 1.862 121.559 119.914 -0.362 0.000 2.222 267 V HA 0.318 4.436 4.120 -0.003 0.000 0.253 267 V C 0.241 176.099 176.094 -0.393 0.000 1.210 267 V CA -0.667 61.478 62.300 -0.259 0.000 1.079 267 V CB -1.075 30.656 31.823 -0.153 0.000 1.265 267 V HN 0.354 nan 8.190 nan 0.000 0.494 268 F N 4.358 124.117 119.950 -0.319 0.000 2.429 268 F HA 0.462 4.987 4.527 -0.003 0.000 0.348 268 F C -1.266 174.331 175.800 -0.338 0.000 1.109 268 F CA -1.796 55.938 58.000 -0.443 0.000 1.232 268 F CB 0.590 39.310 39.000 -0.466 0.000 1.157 268 F HN 0.335 nan 8.300 nan 0.000 0.564 269 P HA 0.021 nan 4.420 nan 0.000 0.266 269 P C 0.359 177.557 177.300 -0.170 0.000 1.193 269 P CA 0.025 63.079 63.100 -0.077 0.000 0.770 269 P CB 0.588 32.272 31.700 -0.027 0.000 0.836 270 R N 2.289 122.703 120.500 -0.143 0.000 2.073 270 R HA -0.139 4.199 4.340 -0.003 0.000 0.234 270 R C 1.538 177.735 176.300 -0.172 0.000 1.134 270 R CA 1.527 57.531 56.100 -0.160 0.000 0.952 270 R CB -0.405 29.836 30.300 -0.098 0.000 0.850 270 R HN 0.521 nan 8.270 nan 0.000 0.433 271 K N 0.961 121.290 120.400 -0.119 0.000 2.432 271 K HA 0.086 4.404 4.320 -0.003 0.000 0.196 271 K C 0.846 177.391 176.600 -0.092 0.000 1.038 271 K CA -0.078 56.157 56.287 -0.086 0.000 0.986 271 K CB -0.028 32.441 32.500 -0.053 0.000 0.782 271 K HN 0.120 nan 8.250 nan 0.000 0.485 272 L N 1.958 123.096 121.223 -0.142 0.000 2.737 272 L HA -0.138 4.200 4.340 -0.003 0.000 0.275 272 L C 0.783 177.612 176.870 -0.069 0.000 1.179 272 L CA 0.198 54.972 54.840 -0.111 0.000 0.970 272 L CB 0.116 42.064 42.059 -0.184 0.000 1.268 272 L HN 0.431 nan 8.230 nan 0.000 0.485 273 C N 2.108 121.411 119.300 0.005 0.000 3.882 273 C HA 0.427 4.885 4.460 -0.003 0.000 0.340 273 C C 0.694 175.709 174.990 0.042 0.000 1.563 273 C CA -0.781 58.262 59.018 0.043 0.000 1.870 273 C CB -0.115 27.641 27.740 0.027 0.000 2.795 273 C HN 0.810 nan 8.230 nan 0.000 0.692 274 R N 1.558 122.079 120.500 0.035 0.000 2.483 274 R HA 0.816 5.154 4.340 -0.003 0.000 0.303 274 R C -0.899 175.423 176.300 0.036 0.000 0.987 274 R CA -0.026 56.088 56.100 0.022 0.000 0.881 274 R CB 1.537 31.839 30.300 0.004 0.000 1.177 274 R HN 0.698 nan 8.270 nan 0.000 0.451 275 L N -1.159 120.081 121.223 0.028 0.000 2.892 275 L HA 1.010 5.349 4.340 -0.003 0.000 0.269 275 L C -1.085 175.805 176.870 0.034 0.000 1.058 275 L CA -0.887 53.988 54.840 0.058 0.000 0.923 275 L CB 2.313 44.425 42.059 0.088 0.000 1.518 275 L HN 0.519 nan 8.230 nan 0.000 0.402 276 G N 1.531 110.382 108.800 0.085 0.000 2.078 276 G HA2 0.456 4.414 3.960 -0.003 0.000 0.297 276 G HA3 0.456 4.414 3.960 -0.003 0.000 0.297 276 G C -1.456 173.547 174.900 0.171 0.000 1.370 276 G CA -0.644 44.505 45.100 0.083 0.000 1.222 276 G HN 0.633 nan 8.290 nan 0.000 0.586 277 L N 1.665 122.976 121.223 0.147 0.000 2.326 277 L HA 0.452 4.790 4.340 -0.003 0.000 0.278 277 L C 0.672 177.625 176.870 0.139 0.000 1.092 277 L CA -0.580 54.382 54.840 0.202 0.000 0.810 277 L CB 1.497 43.638 42.059 0.137 0.000 1.153 277 L HN 0.410 nan 8.230 nan 0.000 0.439 278 S N 1.773 117.564 115.700 0.152 0.000 2.545 278 S HA 0.279 4.747 4.470 -0.003 0.000 0.275 278 S C -0.180 174.420 174.600 -0.001 0.000 1.299 278 S CA -0.259 57.913 58.200 -0.046 0.000 1.048 278 S CB 0.296 63.382 63.200 -0.191 0.000 0.938 278 S HN 0.625 nan 8.310 nan 0.000 0.496 279 Y N -1.682 118.693 120.300 0.126 0.000 4.841 279 Y HA -0.235 4.313 4.550 -0.003 0.000 0.242 279 Y C 0.505 176.432 175.900 0.045 0.000 1.002 279 Y CA 0.367 58.517 58.100 0.084 0.000 2.011 279 Y CB -2.327 36.180 38.460 0.078 0.000 1.554 279 Y HN 0.722 nan 8.280 nan 0.000 0.618 280 M N 1.573 121.237 119.600 0.108 0.000 2.356 280 M HA 0.406 4.884 4.480 -0.003 0.000 0.348 280 M C 0.963 177.279 176.300 0.027 0.000 1.595 280 M CA 1.023 56.343 55.300 0.033 0.000 1.095 280 M CB 0.265 32.849 32.600 -0.026 0.000 1.963 280 M HN 0.353 nan 8.290 nan 0.000 0.459 281 G N 4.984 113.805 108.800 0.035 0.000 2.532 281 G HA2 0.506 4.464 3.960 -0.003 0.000 0.291 281 G HA3 0.506 4.464 3.960 -0.003 0.000 0.291 281 G C -2.467 172.439 174.900 0.010 0.000 1.349 281 G CA -1.177 43.945 45.100 0.038 0.000 1.038 281 G HN 0.573 nan 8.290 nan 0.000 0.518 282 P HA -0.031 nan 4.420 nan 0.000 0.220 282 P C 1.455 178.775 177.300 0.033 0.000 1.152 282 P CA 0.602 63.716 63.100 0.023 0.000 0.812 282 P CB 0.237 31.962 31.700 0.041 0.000 0.792 283 N N 0.258 118.987 118.700 0.048 0.000 2.223 283 N HA -0.132 4.606 4.740 -0.003 0.000 0.185 283 N C 1.386 176.935 175.510 0.066 0.000 1.016 283 N CA 1.186 54.275 53.050 0.065 0.000 0.863 283 N CB -0.468 38.067 38.487 0.080 0.000 0.983 283 N HN 0.397 nan 8.380 nan 0.000 0.429 284 E N 0.614 120.841 120.200 0.045 0.000 2.415 284 E HA 0.013 4.361 4.350 -0.003 0.000 0.197 284 E C 1.795 178.345 176.600 -0.083 0.000 1.007 284 E CA -0.116 56.298 56.400 0.022 0.000 0.890 284 E CB -0.426 29.272 29.700 -0.003 0.000 0.891 284 E HN 0.339 nan 8.360 nan 0.000 0.496 285 M N 1.933 121.458 119.600 -0.124 0.000 2.143 285 M HA -0.120 4.358 4.480 -0.003 0.000 0.258 285 M C -0.942 175.017 176.300 -0.568 0.000 1.071 285 M CA 1.942 57.076 55.300 -0.276 0.000 1.088 285 M CB -1.004 31.472 32.600 -0.206 0.000 1.360 285 M HN -0.074 nan 8.290 nan 0.000 0.404 286 P HA -0.174 nan 4.420 nan 0.000 0.218 286 P C 1.469 178.512 177.300 -0.428 0.000 1.146 286 P CA 1.661 64.480 63.100 -0.469 0.000 0.813 286 P CB -0.824 30.943 31.700 0.110 0.000 0.778 287 I N -4.742 115.680 120.570 -0.246 0.000 3.164 287 I HA -0.112 4.056 4.170 -0.003 0.000 0.278 287 I C 1.372 177.358 176.117 -0.218 0.000 1.320 287 I CA 1.300 62.554 61.300 -0.076 0.000 1.422 287 I CB -0.689 37.370 38.000 0.098 0.000 1.066 287 I HN -0.062 nan 8.210 nan 0.000 0.503 288 L N -0.786 120.091 121.223 -0.577 0.000 2.463 288 L HA 0.125 4.463 4.340 -0.003 0.000 0.219 288 L C 2.124 178.484 176.870 -0.850 0.000 1.088 288 L CA 0.210 54.524 54.840 -0.877 0.000 0.849 288 L CB -0.317 41.281 42.059 -0.769 0.000 1.012 288 L HN 0.107 nan 8.230 nan 0.000 0.468 289 F N 1.076 120.802 119.950 -0.373 0.000 2.091 289 F HA -0.126 4.399 4.527 -0.003 0.000 0.299 289 F C -0.215 175.441 175.800 -0.240 0.000 1.103 289 F CA 0.950 58.788 58.000 -0.270 0.000 1.228 289 F CB -2.455 36.456 39.000 -0.148 0.000 0.984 289 F HN 0.098 nan 8.300 nan 0.000 0.477 290 P HA -0.182 nan 4.420 nan 0.000 0.227 290 P C 0.222 177.641 177.300 0.198 0.000 1.145 290 P CA 1.469 64.643 63.100 0.122 0.000 0.769 290 P CB -0.543 31.286 31.700 0.214 0.000 0.769 291 F N -6.738 113.218 119.950 0.011 0.000 2.916 291 F HA 0.628 5.153 4.527 -0.003 0.000 0.331 291 F C 1.163 176.947 175.800 -0.027 0.000 1.268 291 F CA -0.571 57.419 58.000 -0.016 0.000 1.016 291 F CB -0.786 38.190 39.000 -0.040 0.000 1.386 291 F HN -0.261 nan 8.300 nan 0.000 0.503 292 A N 0.953 123.638 122.820 -0.224 0.000 2.121 292 A HA 0.277 4.596 4.320 -0.003 0.000 0.218 292 A C 2.223 179.790 177.584 -0.028 0.000 1.154 292 A CA 1.409 53.344 52.037 -0.171 0.000 0.679 292 A CB -0.785 18.144 19.000 -0.119 0.000 0.795 292 A HN 0.684 nan 8.150 nan 0.000 0.458 293 A N -1.128 121.702 122.820 0.017 0.000 2.168 293 A HA -0.078 4.240 4.320 -0.003 0.000 0.215 293 A C 1.974 179.589 177.584 0.052 0.000 1.152 293 A CA 1.456 53.513 52.037 0.035 0.000 0.716 293 A CB -0.277 18.747 19.000 0.040 0.000 0.794 293 A HN 0.653 nan 8.150 nan 0.000 0.465 294 Q N -0.753 119.097 119.800 0.084 0.000 2.396 294 Q HA 0.237 4.575 4.340 -0.003 0.000 0.220 294 Q C -0.001 176.051 176.000 0.088 0.000 0.900 294 Q CA -0.236 55.625 55.803 0.097 0.000 0.925 294 Q CB 0.140 28.967 28.738 0.149 0.000 1.065 294 Q HN 0.620 nan 8.270 nan 0.000 0.535 295 I N 2.169 122.791 120.570 0.088 0.000 2.752 295 I HA -0.122 4.046 4.170 -0.003 0.000 0.289 295 I C 0.997 177.133 176.117 0.032 0.000 1.197 295 I CA 0.823 62.157 61.300 0.056 0.000 1.432 295 I CB 0.481 38.481 38.000 0.001 0.000 1.359 295 I HN 0.234 nan 8.210 nan 0.000 0.571 296 R N 4.077 124.593 120.500 0.028 0.000 2.469 296 R HA 0.258 4.596 4.340 -0.003 0.000 0.250 296 R C 0.085 176.393 176.300 0.014 0.000 0.909 296 R CA -0.196 55.916 56.100 0.022 0.000 1.050 296 R CB 0.725 31.038 30.300 0.021 0.000 1.256 296 R HN 0.465 nan 8.270 nan 0.000 0.550 297 K N 1.044 121.450 120.400 0.010 0.000 2.525 297 K HA 0.405 4.723 4.320 -0.003 0.000 0.254 297 K C -2.044 174.554 176.600 -0.003 0.000 0.934 297 K CA -0.646 55.642 56.287 0.002 0.000 0.802 297 K CB 1.853 34.349 32.500 -0.006 0.000 1.295 297 K HN -0.173 nan 8.250 nan 0.000 0.433 298 L N 2.866 124.086 121.223 -0.004 0.000 2.438 298 L HA 0.384 4.722 4.340 -0.003 0.000 0.270 298 L C -1.430 175.436 176.870 -0.005 0.000 0.972 298 L CA -0.260 54.572 54.840 -0.013 0.000 0.831 298 L CB 1.987 44.031 42.059 -0.025 0.000 1.273 298 L HN 0.602 nan 8.230 nan 0.000 0.405 299 D N 4.349 124.750 120.400 0.001 0.000 2.590 299 D HA 0.267 4.906 4.640 -0.003 0.000 0.280 299 D C 0.325 176.628 176.300 0.005 0.000 1.197 299 D CA -0.056 53.956 54.000 0.020 0.000 0.967 299 D CB 0.362 41.204 40.800 0.071 0.000 0.987 299 D HN 0.467 nan 8.370 nan 0.000 0.508 300 L N 2.098 123.302 121.223 -0.031 0.000 2.718 300 L HA 0.056 4.394 4.340 -0.003 0.000 0.242 300 L C 1.894 178.711 176.870 -0.087 0.000 1.203 300 L CA -0.259 54.548 54.840 -0.056 0.000 1.011 300 L CB 0.060 42.072 42.059 -0.080 0.000 1.250 300 L HN 0.271 nan 8.230 nan 0.000 0.437 301 L N -0.269 120.841 121.223 -0.189 0.000 2.056 301 L HA -0.148 4.190 4.340 -0.003 0.000 0.207 301 L C 1.415 177.941 176.870 -0.574 0.000 1.078 301 L CA 2.114 56.676 54.840 -0.463 0.000 0.749 301 L CB -0.506 41.075 42.059 -0.798 0.000 0.901 301 L HN 0.356 nan 8.230 nan 0.000 0.433 302 Y N -0.974 119.291 120.300 -0.059 0.000 2.658 302 Y HA 0.474 5.022 4.550 -0.003 0.000 0.276 302 Y C 0.931 176.740 175.900 -0.153 0.000 1.167 302 Y CA -0.349 57.658 58.100 -0.154 0.000 1.230 302 Y CB -0.236 38.054 38.460 -0.283 0.000 1.144 302 Y HN 0.056 nan 8.280 nan 0.000 0.529 303 A N 0.437 123.256 122.820 -0.001 0.000 2.322 303 A HA 0.425 4.743 4.320 -0.003 0.000 0.269 303 A C 0.075 177.690 177.584 0.051 0.000 1.094 303 A CA -0.241 51.801 52.037 0.009 0.000 0.807 303 A CB 0.498 19.471 19.000 -0.045 0.000 1.047 303 A HN 0.321 nan 8.150 nan 0.000 0.487 304 L N 2.046 123.315 121.223 0.076 0.000 3.034 304 L HA 0.284 4.622 4.340 -0.003 0.000 0.245 304 L C 0.033 176.949 176.870 0.075 0.000 1.295 304 L CA 0.525 55.426 54.840 0.102 0.000 1.068 304 L CB -0.820 41.324 42.059 0.143 0.000 1.426 304 L HN 0.662 nan 8.230 nan 0.000 0.531 305 L N -2.702 118.555 121.223 0.056 0.000 2.333 305 L HA 0.715 5.053 4.340 -0.003 0.000 0.269 305 L C -0.389 176.577 176.870 0.160 0.000 1.010 305 L CA -0.682 54.188 54.840 0.051 0.000 0.818 305 L CB 1.939 43.970 42.059 -0.046 0.000 1.306 305 L HN 0.071 nan 8.230 nan 0.000 0.430 306 E N 0.187 120.484 120.200 0.162 0.000 2.254 306 E HA 0.158 4.506 4.350 -0.003 0.000 0.261 306 E C 0.313 177.054 176.600 0.235 0.000 1.051 306 E CA -0.587 55.916 56.400 0.171 0.000 0.902 306 E CB 1.619 31.374 29.700 0.092 0.000 1.168 306 E HN 0.737 nan 8.360 nan 0.000 0.423 307 T N 0.042 114.655 114.554 0.099 0.000 2.760 307 T HA -0.277 4.071 4.350 -0.003 0.000 0.269 307 T C 1.598 176.353 174.700 0.092 0.000 1.047 307 T CA 2.244 64.358 62.100 0.023 0.000 1.139 307 T CB -0.096 68.755 68.868 -0.028 0.000 0.855 307 T HN 0.552 nan 8.240 nan 0.000 0.471 308 E N -0.217 120.037 120.200 0.089 0.000 2.028 308 E HA -0.133 4.215 4.350 -0.003 0.000 0.190 308 E C 1.954 178.611 176.600 0.095 0.000 0.984 308 E CA 1.382 57.828 56.400 0.076 0.000 0.800 308 E CB -0.083 29.649 29.700 0.054 0.000 0.758 308 E HN 0.517 nan 8.360 nan 0.000 0.448 309 D N 0.096 120.558 120.400 0.103 0.000 2.190 309 D HA -0.209 4.429 4.640 -0.003 0.000 0.200 309 D C 1.822 178.158 176.300 0.061 0.000 0.992 309 D CA 1.041 55.085 54.000 0.073 0.000 0.854 309 D CB -0.440 40.388 40.800 0.048 0.000 0.936 309 D HN 0.426 nan 8.370 nan 0.000 0.462 310 H N -0.095 118.983 119.070 0.013 0.000 2.319 310 H HA -0.087 4.467 4.556 -0.003 0.000 0.299 310 H C 2.396 177.727 175.328 0.004 0.000 1.092 310 H CA 1.241 57.293 56.048 0.006 0.000 1.302 310 H CB -0.082 29.684 29.762 0.008 0.000 1.373 310 H HN 0.250 nan 8.280 nan 0.000 0.497 311 C N 0.193 119.576 119.300 0.137 0.000 2.440 311 C HA -0.114 4.345 4.460 -0.003 0.000 0.278 311 C C 3.117 178.106 174.990 -0.001 0.000 1.295 311 C CA 1.473 60.528 59.018 0.062 0.000 1.738 311 C CB -1.033 26.739 27.740 0.053 0.000 1.987 311 C HN 0.727 nan 8.230 nan 0.000 0.492 312 T N -0.881 113.682 114.554 0.014 0.000 2.915 312 T HA -0.087 4.261 4.350 -0.003 0.000 0.269 312 T C 1.646 176.358 174.700 0.020 0.000 1.071 312 T CA 1.225 63.319 62.100 -0.010 0.000 1.132 312 T CB -0.304 68.578 68.868 0.024 0.000 0.878 312 T HN 0.569 nan 8.240 nan 0.000 0.479 313 L N -0.136 121.114 121.223 0.044 0.000 2.189 313 L HA 0.223 4.561 4.340 -0.003 0.000 0.199 313 L C 2.595 179.455 176.870 -0.016 0.000 1.074 313 L CA 0.597 55.470 54.840 0.055 0.000 0.783 313 L CB -0.166 41.874 42.059 -0.032 0.000 0.955 313 L HN 0.170 nan 8.230 nan 0.000 0.460 314 I N -0.112 120.443 120.570 -0.024 0.000 2.185 314 I HA -0.382 3.786 4.170 -0.003 0.000 0.246 314 I C 2.473 178.535 176.117 -0.091 0.000 1.088 314 I CA 1.470 62.758 61.300 -0.021 0.000 1.347 314 I CB -1.142 36.874 38.000 0.027 0.000 1.041 314 I HN 0.541 nan 8.210 nan 0.000 0.415 315 Q N 1.660 121.335 119.800 -0.209 0.000 2.248 315 Q HA -0.211 4.127 4.340 -0.003 0.000 0.208 315 Q C 1.807 177.567 176.000 -0.400 0.000 0.984 315 Q CA 1.548 57.018 55.803 -0.554 0.000 0.875 315 Q CB 0.039 28.452 28.738 -0.541 0.000 0.910 315 Q HN 0.597 nan 8.270 nan 0.000 0.433 316 K N -1.238 119.058 120.400 -0.173 0.000 2.393 316 K HA 0.097 4.415 4.320 -0.003 0.000 0.193 316 K C 0.461 177.037 176.600 -0.040 0.000 1.026 316 K CA 0.088 56.321 56.287 -0.091 0.000 1.064 316 K CB 0.648 33.144 32.500 -0.006 0.000 0.833 316 K HN 0.096 nan 8.250 nan 0.000 0.521 317 C N 3.223 122.505 119.300 -0.030 0.000 2.439 317 C HA 0.241 4.699 4.460 -0.003 0.000 0.298 317 C C -1.271 173.742 174.990 0.037 0.000 1.094 317 C CA -1.418 57.601 59.018 0.000 0.000 1.609 317 C CB 0.278 28.011 27.740 -0.012 0.000 1.723 317 C HN 0.232 nan 8.230 nan 0.000 0.423 318 P HA -0.065 nan 4.420 nan 0.000 0.229 318 P C 0.719 178.056 177.300 0.061 0.000 1.160 318 P CA 1.392 64.543 63.100 0.085 0.000 0.777 318 P CB 0.335 32.085 31.700 0.083 0.000 0.814 319 N N -0.544 118.183 118.700 0.046 0.000 2.205 319 N HA 0.069 4.807 4.740 -0.003 0.000 0.201 319 N C 0.582 176.113 175.510 0.036 0.000 1.128 319 N CA -0.312 52.761 53.050 0.039 0.000 0.867 319 N CB 0.037 38.545 38.487 0.035 0.000 0.996 319 N HN 0.139 nan 8.380 nan 0.000 0.503 320 L N 2.831 124.075 121.223 0.036 0.000 2.628 320 L HA -0.095 4.243 4.340 -0.003 0.000 0.274 320 L C 1.323 178.215 176.870 0.038 0.000 1.209 320 L CA 0.765 55.624 54.840 0.032 0.000 0.930 320 L CB 0.431 42.509 42.059 0.032 0.000 1.183 320 L HN 0.250 nan 8.230 nan 0.000 0.492 321 E N 3.463 123.682 120.200 0.032 0.000 2.562 321 E HA 0.219 4.567 4.350 -0.003 0.000 0.214 321 E C -0.567 176.055 176.600 0.036 0.000 0.979 321 E CA -0.208 56.214 56.400 0.037 0.000 1.002 321 E CB 0.563 30.282 29.700 0.032 0.000 1.048 321 E HN 0.351 nan 8.360 nan 0.000 0.488 322 V N 1.996 121.927 119.914 0.028 0.000 2.668 322 V HA 0.390 4.508 4.120 -0.003 0.000 0.304 322 V C -1.407 174.702 176.094 0.026 0.000 1.071 322 V CA -0.963 61.352 62.300 0.025 0.000 0.894 322 V CB 1.979 33.802 31.823 -0.000 0.000 1.008 322 V HN 0.257 nan 8.190 nan 0.000 0.425 323 L N 4.049 125.297 121.223 0.041 0.000 2.410 323 L HA 0.758 5.096 4.340 -0.003 0.000 0.270 323 L C -0.685 176.214 176.870 0.048 0.000 0.983 323 L CA 0.170 55.034 54.840 0.041 0.000 0.822 323 L CB 2.153 44.245 42.059 0.055 0.000 1.285 323 L HN 0.727 nan 8.230 nan 0.000 0.409 324 E N 3.234 123.452 120.200 0.031 0.000 2.224 324 E HA 0.626 4.974 4.350 -0.003 0.000 0.265 324 E C -1.174 175.430 176.600 0.006 0.000 0.878 324 E CA -0.624 55.791 56.400 0.026 0.000 0.759 324 E CB 2.251 31.956 29.700 0.008 0.000 1.164 324 E HN 0.678 nan 8.360 nan 0.000 0.414 325 T N 1.237 115.802 114.554 0.017 0.000 2.769 325 T HA 0.354 4.702 4.350 -0.003 0.000 0.306 325 T C -0.990 173.710 174.700 0.000 0.000 1.400 325 T CA -0.728 61.387 62.100 0.024 0.000 1.007 325 T CB 1.176 70.125 68.868 0.135 0.000 1.392 325 T HN 0.349 nan 8.240 nan 0.000 0.500 326 R N 1.168 121.665 120.500 -0.005 0.000 2.652 326 R HA 0.294 4.632 4.340 -0.003 0.000 0.271 326 R C 1.548 177.821 176.300 -0.045 0.000 1.129 326 R CA 0.043 56.120 56.100 -0.039 0.000 1.200 326 R CB 0.153 30.425 30.300 -0.046 0.000 1.146 326 R HN 0.850 nan 8.270 nan 0.000 0.581 327 N N -0.555 118.114 118.700 -0.051 0.000 2.571 327 N HA -0.084 4.654 4.740 -0.003 0.000 0.189 327 N C 0.962 176.416 175.510 -0.093 0.000 1.154 327 N CA 0.021 53.042 53.050 -0.048 0.000 0.907 327 N CB 0.063 38.541 38.487 -0.015 0.000 0.977 327 N HN 0.149 nan 8.380 nan 0.000 0.449 328 V N 1.078 120.915 119.914 -0.128 0.000 2.469 328 V HA -0.227 3.891 4.120 -0.003 0.000 0.251 328 V C 2.325 178.195 176.094 -0.373 0.000 1.064 328 V CA 1.097 63.287 62.300 -0.184 0.000 1.066 328 V CB -0.613 31.136 31.823 -0.125 0.000 0.667 328 V HN 0.374 nan 8.190 nan 0.000 0.461 329 I N 0.863 121.110 120.570 -0.539 0.000 2.227 329 I HA -0.139 4.029 4.170 -0.003 0.000 0.250 329 I C 1.282 177.252 176.117 -0.244 0.000 1.087 329 I CA 1.466 62.429 61.300 -0.562 0.000 1.352 329 I CB -0.852 37.015 38.000 -0.223 0.000 1.043 329 I HN 0.500 nan 8.210 nan 0.000 0.425 330 G N -0.278 108.434 108.800 -0.147 0.000 2.856 330 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.674 330 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.674 330 G C 0.412 175.294 174.900 -0.030 0.000 1.519 330 G CA -0.022 45.036 45.100 -0.071 0.000 0.940 330 G HN 0.309 nan 8.290 nan 0.000 0.564 331 D N 0.153 120.548 120.400 -0.008 0.000 2.123 331 D HA -0.129 4.509 4.640 -0.003 0.000 0.196 331 D C 2.389 178.699 176.300 0.016 0.000 0.992 331 D CA 1.548 55.555 54.000 0.011 0.000 0.833 331 D CB -0.010 40.799 40.800 0.015 0.000 0.954 331 D HN 0.564 nan 8.370 nan 0.000 0.455 332 R N 0.483 120.991 120.500 0.012 0.000 2.083 332 R HA -0.123 4.215 4.340 -0.003 0.000 0.237 332 R C 2.388 178.709 176.300 0.035 0.000 1.137 332 R CA 1.915 58.029 56.100 0.024 0.000 0.951 332 R CB -0.611 29.701 30.300 0.021 0.000 0.851 332 R HN 0.160 nan 8.270 nan 0.000 0.434 333 G N 0.902 109.715 108.800 0.021 0.000 2.446 333 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.217 333 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.217 333 G C 1.449 176.383 174.900 0.056 0.000 1.168 333 G CA 0.995 46.119 45.100 0.040 0.000 0.771 333 G HN 0.281 nan 8.290 nan 0.000 0.551 334 L N 0.134 121.381 121.223 0.040 0.000 2.079 334 L HA -0.100 4.238 4.340 -0.003 0.000 0.210 334 L C 2.895 179.801 176.870 0.060 0.000 1.081 334 L CA 1.347 56.218 54.840 0.052 0.000 0.752 334 L CB -0.352 41.732 42.059 0.043 0.000 0.896 334 L HN 0.313 nan 8.230 nan 0.000 0.433 335 E N -0.567 119.667 120.200 0.056 0.000 2.110 335 E HA -0.180 4.168 4.350 -0.003 0.000 0.193 335 E C 2.256 178.909 176.600 0.089 0.000 0.988 335 E CA 1.310 57.744 56.400 0.056 0.000 0.804 335 E CB -0.054 29.674 29.700 0.046 0.000 0.745 335 E HN 0.304 nan 8.360 nan 0.000 0.458 336 V N 1.374 121.362 119.914 0.124 0.000 2.343 336 V HA -0.236 3.883 4.120 -0.003 0.000 0.247 336 V C 2.279 178.530 176.094 0.263 0.000 1.051 336 V CA 1.339 63.772 62.300 0.222 0.000 1.036 336 V CB -0.386 31.526 31.823 0.148 0.000 0.654 336 V HN 0.230 nan 8.190 nan 0.000 0.451 337 L N 0.614 121.930 121.223 0.156 0.000 2.362 337 L HA 0.023 4.361 4.340 -0.003 0.000 0.219 337 L C 2.273 179.205 176.870 0.104 0.000 1.134 337 L CA 1.800 56.721 54.840 0.135 0.000 0.807 337 L CB -0.674 41.444 42.059 0.098 0.000 0.927 337 L HN 0.222 nan 8.230 nan 0.000 0.447 338 A N -0.841 122.024 122.820 0.075 0.000 1.970 338 A HA -0.118 4.200 4.320 -0.003 0.000 0.216 338 A C 2.060 179.628 177.584 -0.026 0.000 1.170 338 A CA 1.292 53.341 52.037 0.021 0.000 0.645 338 A CB -0.312 18.692 19.000 0.006 0.000 0.816 338 A HN 0.618 nan 8.150 nan 0.000 0.447 339 Q N -2.352 117.408 119.800 -0.067 0.000 2.189 339 Q HA 0.152 4.490 4.340 -0.003 0.000 0.223 339 Q C 0.481 176.295 176.000 -0.310 0.000 0.828 339 Q CA 0.080 55.764 55.803 -0.198 0.000 0.967 339 Q CB -0.049 28.526 28.738 -0.271 0.000 1.139 339 Q HN 0.665 nan 8.270 nan 0.000 0.497 340 Y N 0.017 120.319 120.300 0.003 0.000 2.500 340 Y HA 0.215 4.763 4.550 -0.003 0.000 0.284 340 Y C 0.938 176.843 175.900 0.008 0.000 1.118 340 Y CA 0.137 58.240 58.100 0.005 0.000 1.241 340 Y CB 1.016 39.481 38.460 0.008 0.000 1.171 340 Y HN 0.149 nan 8.280 nan 0.000 0.540 341 C N 2.290 121.680 119.300 0.150 0.000 2.317 341 C HA 0.351 4.809 4.460 -0.003 0.000 0.306 341 C C 1.009 176.033 174.990 0.057 0.000 1.087 341 C CA -1.288 57.787 59.018 0.095 0.000 1.529 341 C CB 0.088 27.883 27.740 0.091 0.000 1.880 341 C HN 0.292 nan 8.230 nan 0.000 0.417 342 K N 0.883 121.306 120.400 0.038 0.000 2.361 342 K HA 0.003 4.321 4.320 -0.003 0.000 0.196 342 K C 1.568 178.186 176.600 0.029 0.000 1.039 342 K CA 0.778 57.077 56.287 0.020 0.000 1.001 342 K CB 0.188 32.689 32.500 0.002 0.000 0.795 342 K HN 0.626 nan 8.250 nan 0.000 0.495 343 Q N 0.568 120.390 119.800 0.036 0.000 2.472 343 Q HA 0.038 4.376 4.340 -0.003 0.000 0.208 343 Q C 0.607 176.634 176.000 0.044 0.000 0.958 343 Q CA -0.074 55.751 55.803 0.037 0.000 0.932 343 Q CB -0.510 28.249 28.738 0.035 0.000 1.007 343 Q HN 0.136 nan 8.270 nan 0.000 0.508 344 L N 2.092 123.346 121.223 0.051 0.000 2.615 344 L HA -0.146 4.192 4.340 -0.003 0.000 0.284 344 L C 1.110 178.021 176.870 0.069 0.000 1.237 344 L CA 1.021 55.898 54.840 0.061 0.000 0.905 344 L CB 0.506 42.606 42.059 0.069 0.000 1.149 344 L HN -0.040 nan 8.230 nan 0.000 0.499 345 K N 4.144 124.588 120.400 0.074 0.000 2.474 345 K HA 0.272 4.590 4.320 -0.003 0.000 0.202 345 K C -0.054 176.619 176.600 0.122 0.000 1.248 345 K CA 0.218 56.557 56.287 0.088 0.000 0.946 345 K CB 0.789 33.330 32.500 0.067 0.000 1.102 345 K HN 0.530 nan 8.250 nan 0.000 0.541 346 R N 0.890 121.457 120.500 0.112 0.000 2.575 346 R HA 0.486 4.824 4.340 -0.003 0.000 0.293 346 R C -1.413 174.981 176.300 0.157 0.000 0.983 346 R CA -0.757 55.437 56.100 0.157 0.000 0.887 346 R CB 2.017 32.340 30.300 0.038 0.000 1.184 346 R HN -0.100 nan 8.270 nan 0.000 0.445 347 L N 1.617 122.985 121.223 0.242 0.000 2.464 347 L HA 0.556 4.894 4.340 -0.003 0.000 0.266 347 L C -1.371 175.637 176.870 0.230 0.000 0.965 347 L CA -0.368 54.581 54.840 0.181 0.000 0.833 347 L CB 2.003 44.144 42.059 0.137 0.000 1.296 347 L HN 0.618 nan 8.230 nan 0.000 0.405 348 R N 5.747 126.354 120.500 0.178 0.000 2.575 348 R HA 0.660 4.998 4.340 -0.003 0.000 0.293 348 R C -1.522 174.846 176.300 0.113 0.000 0.983 348 R CA -0.663 55.546 56.100 0.183 0.000 0.887 348 R CB 1.513 31.947 30.300 0.224 0.000 1.184 348 R HN 0.730 nan 8.270 nan 0.000 0.445 349 I N 3.660 124.297 120.570 0.111 0.000 2.697 349 I HA 0.255 4.423 4.170 -0.003 0.000 0.279 349 I C 0.052 176.262 176.117 0.155 0.000 1.171 349 I CA -0.609 60.749 61.300 0.095 0.000 1.135 349 I CB 0.936 38.981 38.000 0.075 0.000 1.445 349 I HN 0.464 nan 8.210 nan 0.000 0.541 350 E N 4.058 124.315 120.200 0.096 0.000 2.398 350 E HA 0.093 4.441 4.350 -0.003 0.000 0.263 350 E C 0.360 176.860 176.600 -0.167 0.000 1.046 350 E CA -0.262 56.153 56.400 0.025 0.000 0.908 350 E CB 1.374 31.049 29.700 -0.043 0.000 0.963 350 E HN 0.504 nan 8.360 nan 0.000 0.431 351 R N 0.996 121.161 120.500 -0.559 0.000 2.347 351 R HA 0.393 4.731 4.340 -0.003 0.000 0.304 351 R C 0.529 176.677 176.300 -0.254 0.000 1.072 351 R CA -0.169 55.672 56.100 -0.433 0.000 0.980 351 R CB 0.635 30.534 30.300 -0.667 0.000 0.986 351 R HN 0.411 nan 8.270 nan 0.000 0.448 352 G N 1.879 110.595 108.800 -0.140 0.000 2.582 352 G HA2 0.386 4.344 3.960 -0.003 0.000 0.232 352 G HA3 0.386 4.344 3.960 -0.003 0.000 0.232 352 G C -0.618 174.243 174.900 -0.064 0.000 1.458 352 G CA -0.586 44.463 45.100 -0.084 0.000 1.062 352 G HN 0.848 nan 8.290 nan 0.000 0.566 353 A N 0.282 123.084 122.820 -0.030 0.000 2.545 353 A HA 0.349 4.667 4.320 -0.003 0.000 0.297 353 A C 0.072 177.645 177.584 -0.018 0.000 1.340 353 A CA -0.154 51.873 52.037 -0.017 0.000 1.016 353 A CB -0.250 18.751 19.000 0.003 0.000 1.122 353 A HN 0.375 nan 8.150 nan 0.000 0.537 354 D N 2.616 123.001 120.400 -0.025 0.000 3.134 354 D HA 0.148 4.786 4.640 -0.003 0.000 0.248 354 D C 0.779 177.074 176.300 -0.008 0.000 1.273 354 D CA 0.428 54.417 54.000 -0.018 0.000 0.904 354 D CB 0.475 41.261 40.800 -0.024 0.000 1.089 354 D HN 0.770 nan 8.370 nan 0.000 0.478 355 E N -0.515 119.683 120.200 -0.004 0.000 2.941 355 E HA 0.072 4.420 4.350 -0.003 0.000 0.180 355 E C 0.179 176.780 176.600 0.003 0.000 1.130 355 E CA -0.300 56.101 56.400 0.001 0.000 1.243 355 E CB 0.278 29.980 29.700 0.003 0.000 1.582 355 E HN -0.056 nan 8.360 nan 0.000 0.499 356 Q N 1.956 121.758 119.800 0.005 0.000 2.664 356 Q HA 0.259 4.597 4.340 -0.003 0.000 0.223 356 Q C 0.479 176.482 176.000 0.005 0.000 1.298 356 Q CA 0.553 56.360 55.803 0.006 0.000 0.965 356 Q CB 0.147 28.890 28.738 0.009 0.000 1.510 356 Q HN 0.508 nan 8.270 nan 0.000 0.567 357 G N 1.961 110.763 108.800 0.003 0.000 2.578 357 G HA2 -0.303 3.656 3.960 -0.003 0.000 0.284 357 G HA3 -0.303 3.656 3.960 -0.003 0.000 0.284 357 G C 0.279 175.180 174.900 0.000 0.000 1.283 357 G CA -0.229 44.872 45.100 0.002 0.000 0.944 357 G HN 0.434 nan 8.290 nan 0.000 0.558 358 M N 0.042 119.642 119.600 -0.001 0.000 1.917 358 M HA 0.269 4.747 4.480 -0.003 0.000 0.208 358 M C 1.901 178.200 176.300 -0.001 0.000 1.215 358 M CA 0.270 55.567 55.300 -0.005 0.000 0.944 358 M CB -0.474 32.122 32.600 -0.007 0.000 1.225 358 M HN 0.719 nan 8.290 nan 0.000 0.519 359 E N 0.091 120.289 120.200 -0.003 0.000 2.435 359 E HA -0.071 4.277 4.350 -0.003 0.000 0.195 359 E C -0.669 175.937 176.600 0.010 0.000 1.029 359 E CA 0.547 56.951 56.400 0.007 0.000 0.865 359 E CB 0.214 29.919 29.700 0.009 0.000 0.833 359 E HN 0.598 nan 8.360 nan 0.000 0.510 360 D N -1.152 119.250 120.400 0.003 0.000 2.946 360 D HA 0.022 4.660 4.640 -0.003 0.000 0.337 360 D C 0.023 176.324 176.300 0.002 0.000 1.332 360 D CA -0.633 53.371 54.000 0.006 0.000 0.935 360 D CB -0.007 40.800 40.800 0.011 0.000 1.440 360 D HN -0.238 nan 8.370 nan 0.000 0.540 361 E N -0.883 119.320 120.200 0.005 0.000 2.463 361 E HA 0.144 4.492 4.350 -0.003 0.000 0.193 361 E C 0.122 176.723 176.600 0.002 0.000 1.041 361 E CA 0.448 56.850 56.400 0.004 0.000 0.879 361 E CB 0.184 29.888 29.700 0.007 0.000 0.997 361 E HN 0.465 nan 8.360 nan 0.000 0.478 362 E N -1.634 118.565 120.200 -0.002 0.000 2.562 362 E HA 0.169 4.517 4.350 -0.003 0.000 0.214 362 E C 0.954 177.542 176.600 -0.020 0.000 0.979 362 E CA 0.222 56.618 56.400 -0.006 0.000 1.002 362 E CB 0.952 30.650 29.700 -0.004 0.000 1.048 362 E HN 0.128 nan 8.360 nan 0.000 0.488 363 G N 1.751 110.537 108.800 -0.023 0.000 3.375 363 G HA2 0.234 4.192 3.960 -0.003 0.000 0.247 363 G HA3 0.234 4.192 3.960 -0.003 0.000 0.247 363 G C -0.145 174.738 174.900 -0.028 0.000 1.343 363 G CA 0.138 45.214 45.100 -0.039 0.000 1.368 363 G HN -0.091 nan 8.290 nan 0.000 0.549 364 L N 0.041 121.253 121.223 -0.018 0.000 2.362 364 L HA 0.611 4.949 4.340 -0.003 0.000 0.271 364 L C 0.000 176.868 176.870 -0.003 0.000 1.002 364 L CA -1.241 53.596 54.840 -0.006 0.000 0.818 364 L CB 2.231 44.291 42.059 0.001 0.000 1.298 364 L HN -0.007 nan 8.230 nan 0.000 0.420 365 V N -0.713 119.205 119.914 0.006 0.000 2.581 365 V HA 1.033 5.151 4.120 -0.003 0.000 0.303 365 V C -0.088 176.021 176.094 0.024 0.000 1.041 365 V CA -0.417 61.891 62.300 0.014 0.000 0.907 365 V CB 1.364 33.198 31.823 0.019 0.000 0.994 365 V HN 0.921 nan 8.190 nan 0.000 0.442 366 S N 1.931 117.648 115.700 0.029 0.000 2.688 366 S HA 0.413 4.881 4.470 -0.003 0.000 0.275 366 S C 0.471 175.098 174.600 0.044 0.000 1.175 366 S CA -0.339 57.882 58.200 0.034 0.000 0.818 366 S CB 1.646 64.862 63.200 0.027 0.000 1.157 366 S HN 0.678 nan 8.310 nan 0.000 0.482 367 Q N 0.807 120.635 119.800 0.047 0.000 2.224 367 Q HA -0.184 4.154 4.340 -0.003 0.000 0.213 367 Q C 2.005 178.037 176.000 0.052 0.000 0.998 367 Q CA 2.350 58.187 55.803 0.055 0.000 0.895 367 Q CB -0.519 28.249 28.738 0.049 0.000 0.926 367 Q HN 0.701 nan 8.270 nan 0.000 0.417 368 R N 0.163 120.688 120.500 0.042 0.000 2.082 368 R HA -0.133 4.205 4.340 -0.003 0.000 0.234 368 R C 2.374 178.698 176.300 0.041 0.000 1.136 368 R CA 1.804 57.927 56.100 0.038 0.000 0.935 368 R CB -0.834 29.484 30.300 0.030 0.000 0.842 368 R HN 0.418 nan 8.270 nan 0.000 0.430 369 G N 0.819 109.643 108.800 0.040 0.000 2.402 369 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.216 369 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.216 369 G C 1.511 176.444 174.900 0.056 0.000 1.162 369 G CA 0.706 45.831 45.100 0.043 0.000 0.777 369 G HN 0.236 nan 8.290 nan 0.000 0.539 370 L N -0.017 121.246 121.223 0.067 0.000 1.963 370 L HA -0.132 4.206 4.340 -0.003 0.000 0.220 370 L C 2.728 179.653 176.870 0.092 0.000 1.076 370 L CA 1.497 56.391 54.840 0.090 0.000 0.772 370 L CB -0.343 41.779 42.059 0.105 0.000 0.892 370 L HN 0.243 nan 8.230 nan 0.000 0.435 371 I N -0.789 119.832 120.570 0.084 0.000 2.614 371 I HA -0.253 3.915 4.170 -0.003 0.000 0.258 371 I C 2.478 178.637 176.117 0.071 0.000 1.189 371 I CA 1.058 62.413 61.300 0.092 0.000 1.462 371 I CB -0.002 38.049 38.000 0.085 0.000 1.092 371 I HN 0.247 nan 8.210 nan 0.000 0.442 372 A N 0.451 123.301 122.820 0.050 0.000 1.898 372 A HA -0.206 4.113 4.320 -0.003 0.000 0.216 372 A C 2.155 179.748 177.584 0.015 0.000 1.181 372 A CA 1.660 53.712 52.037 0.025 0.000 0.620 372 A CB -0.792 18.224 19.000 0.027 0.000 0.819 372 A HN 0.487 nan 8.150 nan 0.000 0.442 373 L N -0.325 120.922 121.223 0.040 0.000 2.072 373 L HA 0.069 4.407 4.340 -0.003 0.000 0.205 373 L C 2.607 179.503 176.870 0.043 0.000 1.079 373 L CA 2.018 56.885 54.840 0.045 0.000 0.752 373 L CB -0.761 41.341 42.059 0.071 0.000 0.906 373 L HN 0.314 nan 8.230 nan 0.000 0.436 374 A N -1.010 121.855 122.820 0.074 0.000 1.978 374 A HA -0.258 4.060 4.320 -0.003 0.000 0.220 374 A C 2.157 179.744 177.584 0.005 0.000 1.170 374 A CA 2.024 54.131 52.037 0.116 0.000 0.636 374 A CB -0.481 18.639 19.000 0.200 0.000 0.810 374 A HN 0.709 nan 8.150 nan 0.000 0.448 375 Q N -1.170 118.547 119.800 -0.137 0.000 2.204 375 Q HA 0.044 4.382 4.340 -0.003 0.000 0.198 375 Q C 2.276 178.102 176.000 -0.289 0.000 0.946 375 Q CA 0.744 56.272 55.803 -0.457 0.000 0.859 375 Q CB -0.273 28.246 28.738 -0.365 0.000 0.946 375 Q HN 0.627 nan 8.270 nan 0.000 0.474 376 G N 1.084 109.802 108.800 -0.137 0.000 2.464 376 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.214 376 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.214 376 G C 0.478 175.344 174.900 -0.056 0.000 1.218 376 G CA 0.629 45.675 45.100 -0.089 0.000 0.794 376 G HN 0.405 nan 8.290 nan 0.000 0.542 377 C N 1.208 120.500 119.300 -0.014 0.000 2.146 377 C HA 0.529 4.987 4.460 -0.003 0.000 0.338 377 C C 0.938 175.948 174.990 0.034 0.000 1.074 377 C CA -0.775 58.254 59.018 0.018 0.000 1.527 377 C CB -0.278 27.490 27.740 0.047 0.000 1.915 377 C HN 0.513 nan 8.230 nan 0.000 0.453 378 Q N 0.173 119.986 119.800 0.023 0.000 2.280 378 Q HA 0.047 4.385 4.340 -0.003 0.000 0.202 378 Q C 1.314 177.352 176.000 0.064 0.000 0.903 378 Q CA 0.425 56.260 55.803 0.052 0.000 0.948 378 Q CB 0.373 29.138 28.738 0.044 0.000 1.058 378 Q HN 0.752 nan 8.270 nan 0.000 0.493 379 E N 0.187 120.422 120.200 0.059 0.000 2.474 379 E HA 0.092 4.440 4.350 -0.003 0.000 0.195 379 E C -0.074 176.575 176.600 0.081 0.000 1.039 379 E CA -0.152 56.286 56.400 0.063 0.000 0.881 379 E CB 0.520 30.250 29.700 0.051 0.000 0.970 379 E HN 0.344 nan 8.360 nan 0.000 0.486 380 L N 1.849 123.129 121.223 0.095 0.000 2.640 380 L HA -0.105 4.233 4.340 -0.003 0.000 0.280 380 L C 1.143 178.095 176.870 0.136 0.000 1.229 380 L CA 0.946 55.860 54.840 0.122 0.000 0.919 380 L CB 0.247 42.388 42.059 0.136 0.000 1.168 380 L HN 0.151 nan 8.230 nan 0.000 0.496 381 E N 2.461 122.757 120.200 0.159 0.000 2.453 381 E HA 0.040 4.388 4.350 -0.003 0.000 0.211 381 E C -0.863 175.886 176.600 0.249 0.000 0.897 381 E CA 0.011 56.515 56.400 0.173 0.000 1.063 381 E CB 0.883 30.669 29.700 0.144 0.000 1.080 381 E HN 0.488 nan 8.360 nan 0.000 0.512 382 Y N 1.260 121.627 120.300 0.112 0.000 2.386 382 Y HA 0.499 5.047 4.550 -0.003 0.000 0.334 382 Y C -1.454 174.513 175.900 0.113 0.000 1.002 382 Y CA -0.931 57.239 58.100 0.118 0.000 1.068 382 Y CB 1.356 39.867 38.460 0.085 0.000 1.203 382 Y HN -0.197 nan 8.280 nan 0.000 0.443 383 M N 6.236 125.754 119.600 -0.137 0.000 2.165 383 M HA 0.807 5.285 4.480 -0.003 0.000 0.283 383 M C -2.021 174.055 176.300 -0.374 0.000 0.978 383 M CA -0.519 54.731 55.300 -0.083 0.000 0.948 383 M CB 1.330 33.998 32.600 0.113 0.000 1.599 383 M HN 0.865 nan 8.290 nan 0.000 0.450 384 A N 4.770 127.437 122.820 -0.254 0.000 2.353 384 A HA 0.810 5.128 4.320 -0.003 0.000 0.299 384 A C -1.690 175.815 177.584 -0.132 0.000 1.089 384 A CA -0.544 51.319 52.037 -0.290 0.000 0.736 384 A CB 1.622 20.508 19.000 -0.190 0.000 1.195 384 A HN 0.593 nan 8.150 nan 0.000 0.447 385 V N 2.803 122.586 119.914 -0.219 0.000 2.668 385 V HA 0.286 4.404 4.120 -0.003 0.000 0.304 385 V C -1.547 174.459 176.094 -0.146 0.000 1.071 385 V CA -0.418 61.821 62.300 -0.101 0.000 0.894 385 V CB 1.750 33.519 31.823 -0.090 0.000 1.008 385 V HN 0.804 nan 8.190 nan 0.000 0.425 386 Y N 3.639 123.896 120.300 -0.072 0.000 2.535 386 Y HA 0.479 5.027 4.550 -0.003 0.000 0.349 386 Y C 0.332 176.201 175.900 -0.050 0.000 0.992 386 Y CA 0.050 58.109 58.100 -0.069 0.000 1.248 386 Y CB 1.565 39.990 38.460 -0.059 0.000 1.124 386 Y HN 0.451 nan 8.280 nan 0.000 0.520 387 V N 2.510 122.453 119.914 0.048 0.000 2.837 387 V HA 0.281 4.399 4.120 -0.003 0.000 0.310 387 V C 0.461 176.577 176.094 0.036 0.000 1.059 387 V CA -0.010 62.310 62.300 0.034 0.000 1.004 387 V CB 2.030 33.860 31.823 0.011 0.000 1.045 387 V HN 0.832 nan 8.190 nan 0.000 0.465 388 S N 2.476 118.192 115.700 0.028 0.000 2.523 388 S HA 0.284 4.752 4.470 -0.003 0.000 0.217 388 S C -0.335 174.273 174.600 0.015 0.000 0.996 388 S CA -0.033 58.180 58.200 0.022 0.000 0.921 388 S CB 0.043 63.253 63.200 0.017 0.000 0.829 388 S HN 0.870 nan 8.310 nan 0.000 0.495 389 D N 0.302 120.711 120.400 0.016 0.000 2.687 389 D HA 0.367 5.005 4.640 -0.003 0.000 0.213 389 D C -1.559 174.756 176.300 0.026 0.000 1.218 389 D CA -0.519 53.491 54.000 0.016 0.000 0.768 389 D CB 0.625 41.435 40.800 0.016 0.000 1.855 389 D HN 0.020 nan 8.370 nan 0.000 0.508 390 I N 0.041 120.628 120.570 0.028 0.000 3.294 390 I HA 0.891 5.059 4.170 -0.003 0.000 0.311 390 I C -0.232 175.915 176.117 0.050 0.000 1.111 390 I CA -0.847 60.481 61.300 0.047 0.000 0.976 390 I CB 1.839 39.876 38.000 0.061 0.000 1.260 390 I HN 0.267 nan 8.210 nan 0.000 0.474 391 T N -0.396 114.197 114.554 0.064 0.000 2.993 391 T HA 0.346 4.694 4.350 -0.003 0.000 0.312 391 T C 0.345 175.088 174.700 0.071 0.000 1.115 391 T CA -0.558 61.578 62.100 0.059 0.000 1.027 391 T CB 0.972 69.869 68.868 0.048 0.000 1.116 391 T HN 0.681 nan 8.240 nan 0.000 0.464 392 N N 1.905 120.645 118.700 0.067 0.000 2.132 392 N HA -0.180 4.558 4.740 -0.003 0.000 0.191 392 N C 1.543 177.080 175.510 0.044 0.000 1.015 392 N CA 1.619 54.708 53.050 0.065 0.000 0.864 392 N CB 0.046 38.565 38.487 0.052 0.000 1.006 392 N HN 0.772 nan 8.380 nan 0.000 0.430 393 E N 0.964 121.187 120.200 0.038 0.000 2.077 393 E HA -0.164 4.184 4.350 -0.003 0.000 0.193 393 E C 2.011 178.632 176.600 0.035 0.000 0.989 393 E CA 1.487 57.903 56.400 0.026 0.000 0.800 393 E CB 0.090 29.807 29.700 0.028 0.000 0.746 393 E HN 0.398 nan 8.360 nan 0.000 0.452 394 S N 0.976 116.709 115.700 0.055 0.000 2.356 394 S HA -0.170 4.298 4.470 -0.003 0.000 0.223 394 S C 2.182 176.823 174.600 0.068 0.000 1.032 394 S CA 1.176 59.420 58.200 0.072 0.000 1.005 394 S CB -0.778 62.474 63.200 0.088 0.000 0.867 394 S HN 0.310 nan 8.310 nan 0.000 0.449 395 L N 1.325 122.589 121.223 0.068 0.000 2.083 395 L HA -0.102 4.236 4.340 -0.003 0.000 0.209 395 L C 2.873 179.725 176.870 -0.030 0.000 1.083 395 L CA 1.687 56.549 54.840 0.036 0.000 0.752 395 L CB -0.800 41.298 42.059 0.066 0.000 0.899 395 L HN 0.401 nan 8.230 nan 0.000 0.433 396 E N 0.203 120.385 120.200 -0.030 0.000 2.110 396 E HA -0.172 4.176 4.350 -0.003 0.000 0.193 396 E C 2.287 178.831 176.600 -0.092 0.000 0.988 396 E CA 1.560 57.916 56.400 -0.074 0.000 0.804 396 E CB -0.033 29.627 29.700 -0.066 0.000 0.745 396 E HN 0.559 nan 8.360 nan 0.000 0.458 397 S N 0.471 116.146 115.700 -0.041 0.000 2.436 397 S HA -0.045 4.424 4.470 -0.003 0.000 0.228 397 S C 1.951 176.565 174.600 0.023 0.000 1.014 397 S CA 0.201 58.386 58.200 -0.025 0.000 0.950 397 S CB -0.043 63.219 63.200 0.103 0.000 0.784 397 S HN 0.068 nan 8.310 nan 0.000 0.504 398 I N 2.965 123.544 120.570 0.015 0.000 2.090 398 I HA -0.076 4.092 4.170 -0.003 0.000 0.236 398 I C 2.671 178.760 176.117 -0.047 0.000 1.064 398 I CA 1.803 63.108 61.300 0.009 0.000 1.324 398 I CB -1.946 36.014 38.000 -0.067 0.000 1.044 398 I HN 0.483 nan 8.210 nan 0.000 0.399 399 G N -1.030 107.699 108.800 -0.118 0.000 2.990 399 G HA2 -0.111 3.847 3.960 -0.003 0.000 0.206 399 G HA3 -0.111 3.847 3.960 -0.003 0.000 0.206 399 G C 1.510 176.325 174.900 -0.142 0.000 1.169 399 G CA 0.855 45.872 45.100 -0.137 0.000 0.819 399 G HN 0.347 nan 8.290 nan 0.000 0.517 400 T N -1.694 112.761 114.554 -0.166 0.000 3.018 400 T HA 0.213 4.561 4.350 -0.003 0.000 0.246 400 T C 1.562 176.064 174.700 -0.330 0.000 1.026 400 T CA 0.305 62.226 62.100 -0.299 0.000 1.081 400 T CB 0.163 68.763 68.868 -0.447 0.000 0.970 400 T HN 0.384 nan 8.240 nan 0.000 0.475 401 Y N 0.592 120.881 120.300 -0.018 0.000 2.472 401 Y HA 0.365 4.913 4.550 -0.003 0.000 0.288 401 Y C 0.270 176.172 175.900 0.004 0.000 1.154 401 Y CA -0.488 57.610 58.100 -0.004 0.000 1.238 401 Y CB 0.413 38.875 38.460 0.005 0.000 1.287 401 Y HN 0.015 nan 8.280 nan 0.000 0.524 402 L N 0.683 122.012 121.223 0.178 0.000 2.358 402 L HA 0.426 4.764 4.340 -0.003 0.000 0.274 402 L C 0.429 177.343 176.870 0.073 0.000 1.136 402 L CA -0.313 54.599 54.840 0.119 0.000 0.970 402 L CB 0.333 42.466 42.059 0.123 0.000 1.314 402 L HN -0.167 nan 8.230 nan 0.000 0.427 403 K N 2.131 122.566 120.400 0.060 0.000 2.062 403 K HA -0.027 4.291 4.320 -0.003 0.000 0.205 403 K C 0.947 177.572 176.600 0.041 0.000 1.051 403 K CA 1.192 57.498 56.287 0.032 0.000 0.941 403 K CB -0.145 32.370 32.500 0.024 0.000 0.719 403 K HN 0.807 nan 8.250 nan 0.000 0.440 404 N N 0.937 119.671 118.700 0.057 0.000 2.652 404 N HA 0.012 4.750 4.740 -0.003 0.000 0.259 404 N C -0.494 175.069 175.510 0.089 0.000 1.240 404 N CA 0.036 53.125 53.050 0.065 0.000 0.951 404 N CB -0.442 38.082 38.487 0.061 0.000 1.281 404 N HN 0.055 nan 8.380 nan 0.000 0.507 405 L N -0.043 121.237 121.223 0.094 0.000 2.418 405 L HA 0.046 4.384 4.340 -0.003 0.000 0.274 405 L C 0.446 177.398 176.870 0.136 0.000 1.135 405 L CA -0.314 54.604 54.840 0.130 0.000 0.870 405 L CB 0.593 42.730 42.059 0.130 0.000 1.154 405 L HN 0.404 nan 8.230 nan 0.000 0.462 406 C N 2.112 121.511 119.300 0.165 0.000 2.487 406 C HA 0.174 4.632 4.460 -0.003 0.000 0.311 406 C C 0.633 175.753 174.990 0.217 0.000 1.367 406 C CA -0.068 59.053 59.018 0.171 0.000 1.865 406 C CB 0.035 27.873 27.740 0.163 0.000 2.277 406 C HN 0.730 nan 8.230 nan 0.000 0.521 407 D N -0.106 120.428 120.400 0.224 0.000 2.549 407 D HA 0.364 5.003 4.640 -0.003 0.000 0.251 407 D C -1.619 174.743 176.300 0.105 0.000 1.153 407 D CA -0.122 53.994 54.000 0.193 0.000 0.861 407 D CB 0.998 41.920 40.800 0.203 0.000 1.207 407 D HN 0.215 nan 8.370 nan 0.000 0.543 408 F N 4.123 124.105 119.950 0.053 0.000 2.507 408 F HA 0.505 5.030 4.527 -0.003 0.000 0.328 408 F C -0.834 174.928 175.800 -0.064 0.000 1.136 408 F CA -0.638 57.368 58.000 0.010 0.000 0.930 408 F CB 0.988 40.086 39.000 0.163 0.000 1.166 408 F HN 0.156 nan 8.300 nan 0.000 0.436 409 R N 7.103 127.092 120.500 -0.852 0.000 2.532 409 R HA 0.600 4.939 4.340 -0.003 0.000 0.297 409 R C -1.966 173.838 176.300 -0.827 0.000 0.984 409 R CA -1.036 54.662 56.100 -0.669 0.000 0.884 409 R CB 2.345 32.438 30.300 -0.345 0.000 1.182 409 R HN 0.541 nan 8.270 nan 0.000 0.442 410 L N 4.033 124.893 121.223 -0.603 0.000 2.381 410 L HA 0.608 4.946 4.340 -0.003 0.000 0.274 410 L C -1.444 175.195 176.870 -0.385 0.000 0.988 410 L CA -0.770 53.811 54.840 -0.432 0.000 0.824 410 L CB 2.164 44.140 42.059 -0.139 0.000 1.263 410 L HN 0.425 nan 8.230 nan 0.000 0.410 411 V N 5.787 125.461 119.914 -0.401 0.000 2.623 411 V HA 0.382 4.500 4.120 -0.003 0.000 0.304 411 V C -0.447 175.534 176.094 -0.189 0.000 1.054 411 V CA -0.762 61.327 62.300 -0.352 0.000 0.882 411 V CB 2.156 33.559 31.823 -0.701 0.000 1.002 411 V HN 0.668 nan 8.190 nan 0.000 0.424 412 L N 4.508 125.686 121.223 -0.077 0.000 2.295 412 L HA 0.718 5.056 4.340 -0.003 0.000 0.285 412 L C -0.630 176.268 176.870 0.046 0.000 1.035 412 L CA -0.209 54.621 54.840 -0.017 0.000 0.806 412 L CB 0.967 43.001 42.059 -0.043 0.000 1.214 412 L HN 0.295 nan 8.230 nan 0.000 0.426 413 L N 3.362 124.620 121.223 0.058 0.000 2.416 413 L HA 0.181 4.519 4.340 -0.003 0.000 0.272 413 L C 0.978 177.867 176.870 0.031 0.000 1.161 413 L CA 0.455 55.333 54.840 0.063 0.000 0.845 413 L CB 0.230 42.323 42.059 0.056 0.000 1.119 413 L HN 0.718 nan 8.230 nan 0.000 0.464 414 D N 1.479 121.896 120.400 0.029 0.000 2.378 414 D HA -0.095 4.543 4.640 -0.003 0.000 0.227 414 D C 1.867 178.163 176.300 -0.007 0.000 1.012 414 D CA 0.287 54.284 54.000 -0.004 0.000 0.905 414 D CB 0.166 40.959 40.800 -0.012 0.000 0.895 414 D HN 0.364 nan 8.370 nan 0.000 0.532 415 R N 1.322 121.824 120.500 0.004 0.000 2.094 415 R HA -0.118 4.220 4.340 -0.003 0.000 0.239 415 R C 0.488 176.785 176.300 -0.004 0.000 1.137 415 R CA 1.153 57.254 56.100 0.001 0.000 0.943 415 R CB -0.256 30.047 30.300 0.004 0.000 0.850 415 R HN 0.017 nan 8.270 nan 0.000 0.433 416 E N 0.965 121.163 120.200 -0.003 0.000 2.398 416 E HA -0.044 4.304 4.350 -0.003 0.000 0.263 416 E C 0.778 177.371 176.600 -0.012 0.000 1.046 416 E CA 0.048 56.445 56.400 -0.005 0.000 0.908 416 E CB 0.778 30.477 29.700 -0.002 0.000 0.963 416 E HN 0.293 nan 8.360 nan 0.000 0.431 417 E N 2.296 122.489 120.200 -0.011 0.000 2.022 417 E HA -0.016 4.332 4.350 -0.003 0.000 0.190 417 E C 0.242 176.832 176.600 -0.016 0.000 0.973 417 E CA 0.952 57.343 56.400 -0.015 0.000 0.816 417 E CB 0.048 29.741 29.700 -0.012 0.000 0.781 417 E HN 0.359 nan 8.360 nan 0.000 0.456 418 R N 0.703 121.197 120.500 -0.010 0.000 2.294 418 R HA 0.494 4.832 4.340 -0.003 0.000 0.319 418 R C -0.528 175.770 176.300 -0.004 0.000 0.984 418 R CA -0.573 55.522 56.100 -0.008 0.000 0.861 418 R CB 1.071 31.368 30.300 -0.005 0.000 1.104 418 R HN -0.047 nan 8.270 nan 0.000 0.451 419 I N 2.392 122.959 120.570 -0.004 0.000 2.336 419 I HA 0.117 4.285 4.170 -0.003 0.000 0.292 419 I C 1.086 177.208 176.117 0.008 0.000 0.991 419 I CA 0.221 61.522 61.300 0.002 0.000 1.227 419 I CB 1.644 39.643 38.000 -0.001 0.000 1.366 419 I HN 0.730 nan 8.210 nan 0.000 0.466 420 T N 3.739 118.301 114.554 0.013 0.000 1.809 420 T HA -0.293 4.055 4.350 -0.003 0.000 0.124 420 T C 0.197 174.907 174.700 0.018 0.000 1.995 420 T CA 1.924 64.033 62.100 0.016 0.000 0.991 420 T CB -0.648 68.233 68.868 0.022 0.000 0.854 420 T HN 0.830 nan 8.240 nan 0.000 0.377 421 D N 1.084 121.499 120.400 0.025 0.000 2.198 421 D HA 0.438 5.076 4.640 -0.003 0.000 0.245 421 D C 0.559 176.879 176.300 0.034 0.000 1.079 421 D CA -0.686 53.331 54.000 0.028 0.000 0.854 421 D CB 0.816 41.636 40.800 0.032 0.000 1.148 421 D HN 0.126 nan 8.370 nan 0.000 0.456 422 L N 2.498 123.740 121.223 0.031 0.000 2.265 422 L HA 0.345 4.683 4.340 -0.003 0.000 0.195 422 L C -1.869 175.031 176.870 0.051 0.000 1.083 422 L CA 0.138 54.997 54.840 0.032 0.000 0.798 422 L CB -1.329 40.739 42.059 0.015 0.000 0.989 422 L HN 0.444 nan 8.230 nan 0.000 0.472 423 P HA 0.061 nan 4.420 nan 0.000 0.265 423 P C 0.227 177.589 177.300 0.103 0.000 1.222 423 P CA 0.820 63.965 63.100 0.074 0.000 0.767 423 P CB 0.240 31.976 31.700 0.060 0.000 0.801 424 L N 2.117 123.429 121.223 0.147 0.000 2.700 424 L HA 0.057 4.395 4.340 -0.003 0.000 0.234 424 L C 1.202 178.187 176.870 0.191 0.000 1.156 424 L CA 0.082 55.032 54.840 0.182 0.000 0.946 424 L CB -0.298 41.924 42.059 0.272 0.000 1.216 424 L HN 0.244 nan 8.230 nan 0.000 0.493 425 D N 0.824 121.338 120.400 0.190 0.000 2.170 425 D HA -0.236 4.402 4.640 -0.003 0.000 0.193 425 D C 1.533 177.995 176.300 0.271 0.000 1.004 425 D CA 1.484 55.643 54.000 0.264 0.000 0.860 425 D CB -0.124 40.819 40.800 0.239 0.000 0.931 425 D HN 0.357 nan 8.370 nan 0.000 0.448 426 N N -0.041 118.753 118.700 0.155 0.000 2.424 426 N HA 0.006 4.744 4.740 -0.003 0.000 0.178 426 N C 1.880 177.370 175.510 -0.034 0.000 1.060 426 N CA 0.762 53.834 53.050 0.035 0.000 0.901 426 N CB 0.136 38.643 38.487 0.034 0.000 0.979 426 N HN 0.234 nan 8.380 nan 0.000 0.451 427 G N 1.302 110.116 108.800 0.023 0.000 2.404 427 G HA2 -0.118 3.840 3.960 -0.003 0.000 0.213 427 G HA3 -0.118 3.840 3.960 -0.003 0.000 0.213 427 G C 1.672 176.553 174.900 -0.032 0.000 1.189 427 G CA 0.369 45.473 45.100 0.007 0.000 0.796 427 G HN 0.084 nan 8.290 nan 0.000 0.532 428 V N 1.117 121.037 119.914 0.011 0.000 2.277 428 V HA -0.290 3.828 4.120 -0.003 0.000 0.253 428 V C 2.824 178.813 176.094 -0.175 0.000 1.067 428 V CA 2.445 64.686 62.300 -0.098 0.000 1.047 428 V CB -0.546 31.219 31.823 -0.097 0.000 0.649 428 V HN 0.403 nan 8.190 nan 0.000 0.447 429 R N 0.493 120.885 120.500 -0.180 0.000 2.083 429 R HA -0.190 4.148 4.340 -0.003 0.000 0.237 429 R C 2.534 178.582 176.300 -0.421 0.000 1.137 429 R CA 2.215 58.085 56.100 -0.383 0.000 0.951 429 R CB -0.373 29.539 30.300 -0.646 0.000 0.851 429 R HN 0.710 nan 8.270 nan 0.000 0.434 430 S N 0.766 116.276 115.700 -0.316 0.000 2.428 430 S HA -0.115 4.353 4.470 -0.003 0.000 0.230 430 S C 1.962 176.412 174.600 -0.250 0.000 1.014 430 S CA 0.702 58.729 58.200 -0.287 0.000 0.957 430 S CB -0.352 62.718 63.200 -0.217 0.000 0.784 430 S HN 0.307 nan 8.310 nan 0.000 0.499 431 L N 2.223 123.307 121.223 -0.231 0.000 1.976 431 L HA 0.113 4.451 4.340 -0.003 0.000 0.209 431 L C 2.137 178.850 176.870 -0.261 0.000 1.071 431 L CA 1.674 56.368 54.840 -0.243 0.000 0.746 431 L CB -1.213 40.687 42.059 -0.265 0.000 0.890 431 L HN 0.353 nan 8.230 nan 0.000 0.432 432 L N -0.903 120.143 121.223 -0.294 0.000 2.261 432 L HA -0.204 4.134 4.340 -0.003 0.000 0.216 432 L C 2.430 179.178 176.870 -0.204 0.000 1.114 432 L CA 1.085 55.761 54.840 -0.274 0.000 0.777 432 L CB -0.385 41.504 42.059 -0.283 0.000 0.910 432 L HN 0.347 nan 8.230 nan 0.000 0.440 433 I N -1.063 119.352 120.570 -0.259 0.000 2.703 433 I HA -0.043 4.126 4.170 -0.003 0.000 0.259 433 I C 2.459 178.474 176.117 -0.171 0.000 1.151 433 I CA 0.890 62.041 61.300 -0.248 0.000 1.470 433 I CB -0.349 37.407 38.000 -0.407 0.000 1.112 433 I HN 0.181 nan 8.210 nan 0.000 0.437 434 G N 0.172 108.870 108.800 -0.170 0.000 2.408 434 G HA2 -0.125 3.833 3.960 -0.003 0.000 0.213 434 G HA3 -0.125 3.833 3.960 -0.003 0.000 0.213 434 G C 0.733 175.578 174.900 -0.091 0.000 1.177 434 G CA 0.105 45.129 45.100 -0.128 0.000 0.802 434 G HN 0.395 nan 8.290 nan 0.000 0.533 435 C N 2.565 121.806 119.300 -0.100 0.000 2.365 435 C HA 0.327 4.786 4.460 -0.003 0.000 0.412 435 C C 1.588 176.550 174.990 -0.048 0.000 1.023 435 C CA -0.896 58.086 59.018 -0.060 0.000 1.287 435 C CB -1.188 26.512 27.740 -0.067 0.000 1.675 435 C HN 0.603 nan 8.230 nan 0.000 0.520 436 K N 0.664 121.046 120.400 -0.031 0.000 2.444 436 K HA 0.068 4.386 4.320 -0.003 0.000 0.193 436 K C 1.155 177.759 176.600 0.007 0.000 1.024 436 K CA 0.406 56.682 56.287 -0.018 0.000 1.077 436 K CB 0.188 32.678 32.500 -0.017 0.000 0.833 436 K HN 0.491 nan 8.250 nan 0.000 0.517 437 K N 0.844 121.256 120.400 0.020 0.000 2.444 437 K HA 0.115 4.433 4.320 -0.003 0.000 0.193 437 K C 0.004 176.642 176.600 0.064 0.000 1.024 437 K CA -0.302 56.010 56.287 0.042 0.000 1.077 437 K CB 0.121 32.650 32.500 0.049 0.000 0.833 437 K HN 0.041 nan 8.250 nan 0.000 0.517 438 L N 1.286 122.544 121.223 0.058 0.000 2.499 438 L HA -0.056 4.282 4.340 -0.003 0.000 0.273 438 L C 0.940 177.878 176.870 0.114 0.000 1.195 438 L CA 0.934 55.832 54.840 0.097 0.000 0.882 438 L CB 0.414 42.512 42.059 0.065 0.000 1.133 438 L HN 0.026 nan 8.230 nan 0.000 0.483 439 R N 2.797 123.398 120.500 0.168 0.000 2.492 439 R HA 0.307 4.645 4.340 -0.003 0.000 0.219 439 R C -0.239 176.223 176.300 0.271 0.000 0.886 439 R CA -0.233 55.976 56.100 0.182 0.000 1.003 439 R CB 0.597 30.992 30.300 0.160 0.000 1.345 439 R HN 0.508 nan 8.270 nan 0.000 0.631 440 R N 0.376 121.081 120.500 0.342 0.000 2.621 440 R HA 0.408 4.746 4.340 -0.003 0.000 0.292 440 R C -1.659 174.931 176.300 0.483 0.000 0.969 440 R CA -0.642 55.771 56.100 0.521 0.000 0.887 440 R CB 2.303 32.984 30.300 0.635 0.000 1.180 440 R HN -0.131 nan 8.270 nan 0.000 0.450 441 F N 1.362 121.385 119.950 0.123 0.000 2.605 441 F HA 0.645 5.170 4.527 -0.003 0.000 0.320 441 F C -1.692 173.981 175.800 -0.213 0.000 1.159 441 F CA -0.415 57.609 58.000 0.040 0.000 0.999 441 F CB 1.824 40.858 39.000 0.056 0.000 1.258 441 F HN 0.663 nan 8.300 nan 0.000 0.464 442 A N 5.375 127.754 122.820 -0.736 0.000 2.356 442 A HA 0.818 5.136 4.320 -0.003 0.000 0.310 442 A C -2.241 175.015 177.584 -0.547 0.000 1.075 442 A CA -0.475 51.188 52.037 -0.623 0.000 0.746 442 A CB 0.963 19.770 19.000 -0.323 0.000 1.221 442 A HN 0.728 nan 8.150 nan 0.000 0.443 443 F N 2.449 122.077 119.950 -0.536 0.000 3.090 443 F HA 0.411 4.936 4.527 -0.003 0.000 0.381 443 F C -1.491 174.259 175.800 -0.083 0.000 1.231 443 F CA -0.488 57.325 58.000 -0.310 0.000 1.177 443 F CB 1.068 39.913 39.000 -0.257 0.000 1.598 443 F HN 0.597 nan 8.300 nan 0.000 0.589 444 Y N 6.350 126.445 120.300 -0.341 0.000 2.328 444 Y HA 0.730 5.278 4.550 -0.003 0.000 0.336 444 Y C -1.118 174.652 175.900 -0.216 0.000 0.960 444 Y CA -0.521 57.456 58.100 -0.205 0.000 1.134 444 Y CB 0.907 39.257 38.460 -0.184 0.000 1.166 444 Y HN 0.473 nan 8.280 nan 0.000 0.464 445 L N 4.150 125.326 121.223 -0.078 0.000 2.426 445 L HA 0.639 4.977 4.340 -0.003 0.000 0.260 445 L C -0.499 176.386 176.870 0.024 0.000 1.233 445 L CA -1.423 53.390 54.840 -0.046 0.000 1.267 445 L CB 1.321 43.308 42.059 -0.119 0.000 1.814 445 L HN 0.454 nan 8.230 nan 0.000 0.561 446 R N -0.596 119.856 120.500 -0.079 0.000 2.923 446 R HA 0.237 4.575 4.340 -0.003 0.000 0.252 446 R C 0.578 176.769 176.300 -0.183 0.000 1.130 446 R CA -0.556 55.399 56.100 -0.241 0.000 1.043 446 R CB 1.407 31.602 30.300 -0.175 0.000 1.205 446 R HN 0.420 nan 8.270 nan 0.000 0.495 447 Q N 0.896 120.541 119.800 -0.259 0.000 1.975 447 Q HA -0.083 4.255 4.340 -0.003 0.000 0.205 447 Q C 1.424 177.393 176.000 -0.052 0.000 0.990 447 Q CA 2.439 58.169 55.803 -0.120 0.000 0.845 447 Q CB -0.834 27.828 28.738 -0.127 0.000 0.913 447 Q HN 0.902 nan 8.270 nan 0.000 0.420 448 G N -0.457 108.311 108.800 -0.054 0.000 3.028 448 G HA2 0.035 3.993 3.960 -0.003 0.000 0.205 448 G HA3 0.035 3.993 3.960 -0.003 0.000 0.205 448 G C 1.161 176.062 174.900 0.001 0.000 1.182 448 G CA 0.580 45.666 45.100 -0.023 0.000 0.860 448 G HN 0.472 nan 8.290 nan 0.000 0.507 449 G N -0.268 108.535 108.800 0.005 0.000 2.408 449 G HA2 0.191 4.149 3.960 -0.003 0.000 0.217 449 G HA3 0.191 4.149 3.960 -0.003 0.000 0.217 449 G C 0.277 175.231 174.900 0.091 0.000 1.150 449 G CA 0.482 45.602 45.100 0.033 0.000 0.776 449 G HN 0.425 nan 8.290 nan 0.000 0.542 450 L N 0.209 121.488 121.223 0.094 0.000 2.472 450 L HA 0.550 4.888 4.340 -0.003 0.000 0.260 450 L C -0.000 176.915 176.870 0.076 0.000 0.963 450 L CA -0.509 54.407 54.840 0.126 0.000 0.829 450 L CB 2.377 44.559 42.059 0.205 0.000 1.348 450 L HN 0.125 nan 8.230 nan 0.000 0.408 451 T N -1.462 113.128 114.554 0.060 0.000 2.944 451 T HA 0.341 4.689 4.350 -0.003 0.000 0.284 451 T C 0.507 175.218 174.700 0.018 0.000 1.010 451 T CA -0.475 61.643 62.100 0.029 0.000 1.025 451 T CB 1.059 69.934 68.868 0.013 0.000 1.079 451 T HN 0.585 nan 8.240 nan 0.000 0.516 452 D N 0.251 120.662 120.400 0.019 0.000 2.228 452 D HA -0.107 4.531 4.640 -0.003 0.000 0.203 452 D C 1.813 178.081 176.300 -0.054 0.000 0.988 452 D CA 0.617 54.629 54.000 0.021 0.000 0.864 452 D CB -0.152 40.666 40.800 0.030 0.000 0.928 452 D HN 0.424 nan 8.370 nan 0.000 0.469 453 L N 0.417 121.572 121.223 -0.113 0.000 2.044 453 L HA -0.011 4.327 4.340 -0.003 0.000 0.205 453 L C 2.129 178.693 176.870 -0.511 0.000 1.075 453 L CA 1.909 56.580 54.840 -0.283 0.000 0.747 453 L CB -1.024 40.892 42.059 -0.240 0.000 0.903 453 L HN 0.090 nan 8.230 nan 0.000 0.435 454 G N 0.155 108.794 108.800 -0.268 0.000 2.422 454 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.218 454 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.218 454 G C 1.694 176.610 174.900 0.026 0.000 1.146 454 G CA 0.706 45.755 45.100 -0.084 0.000 0.769 454 G HN 0.391 nan 8.290 nan 0.000 0.547 455 L N 1.308 122.543 121.223 0.020 0.000 2.017 455 L HA -0.111 4.227 4.340 -0.003 0.000 0.208 455 L C 3.253 180.205 176.870 0.136 0.000 1.073 455 L CA 1.828 56.717 54.840 0.082 0.000 0.745 455 L CB -0.278 41.825 42.059 0.073 0.000 0.894 455 L HN 0.456 nan 8.230 nan 0.000 0.432 456 S N -1.591 114.129 115.700 0.034 0.000 2.474 456 S HA -0.204 4.264 4.470 -0.003 0.000 0.235 456 S C 1.834 176.490 174.600 0.093 0.000 0.997 456 S CA 0.562 58.790 58.200 0.046 0.000 0.949 456 S CB -0.686 62.485 63.200 -0.048 0.000 0.766 456 S HN 0.516 nan 8.310 nan 0.000 0.517 457 Y N 1.476 121.830 120.300 0.089 0.000 2.145 457 Y HA -0.075 4.472 4.550 -0.004 0.000 0.286 457 Y C 2.468 178.433 175.900 0.108 0.000 1.145 457 Y CA 1.156 59.337 58.100 0.134 0.000 1.148 457 Y CB -0.338 38.219 38.460 0.161 0.000 0.981 457 Y HN 0.257 nan 8.280 nan 0.000 0.507 458 I N -0.216 120.511 120.570 0.263 0.000 2.118 458 I HA -0.331 3.837 4.170 -0.003 0.000 0.241 458 I C 2.717 178.901 176.117 0.111 0.000 1.070 458 I CA 1.624 63.012 61.300 0.146 0.000 1.327 458 I CB -1.071 37.044 38.000 0.192 0.000 1.034 458 I HN 0.281 nan 8.210 nan 0.000 0.405 459 G N -0.351 108.536 108.800 0.145 0.000 2.442 459 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.219 459 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.219 459 G C 1.606 176.390 174.900 -0.194 0.000 1.141 459 G CA 0.780 45.752 45.100 -0.215 0.000 0.763 459 G HN 0.451 nan 8.290 nan 0.000 0.554 460 Q N -1.133 118.571 119.800 -0.159 0.000 2.212 460 Q HA 0.046 4.384 4.340 -0.003 0.000 0.199 460 Q C 1.056 176.779 176.000 -0.461 0.000 0.950 460 Q CA 0.626 56.220 55.803 -0.348 0.000 0.863 460 Q CB 0.073 28.538 28.738 -0.454 0.000 0.944 460 Q HN 0.673 nan 8.270 nan 0.000 0.465 461 Y N -0.364 119.900 120.300 -0.061 0.000 2.636 461 Y HA 0.219 4.767 4.550 -0.002 0.000 0.260 461 Y C -0.029 175.791 175.900 -0.134 0.000 1.177 461 Y CA -0.503 57.536 58.100 -0.102 0.000 1.209 461 Y CB 1.198 39.580 38.460 -0.131 0.000 1.166 461 Y HN 0.009 nan 8.280 nan 0.000 0.531 462 S N -0.137 115.541 115.700 -0.037 0.000 2.150 462 S HA 0.278 4.747 4.470 -0.003 0.000 0.171 462 S C -2.200 172.369 174.600 -0.053 0.000 1.620 462 S CA -1.289 56.866 58.200 -0.074 0.000 1.190 462 S CB 0.873 63.993 63.200 -0.133 0.000 1.102 462 S HN 0.054 nan 8.310 nan 0.000 0.464 463 P HA 0.087 nan 4.420 nan 0.000 0.227 463 P C 0.337 177.636 177.300 -0.002 0.000 1.161 463 P CA 0.620 63.704 63.100 -0.026 0.000 0.788 463 P CB 0.186 31.875 31.700 -0.017 0.000 0.822 464 N N -0.662 118.045 118.700 0.011 0.000 2.250 464 N HA 0.064 4.802 4.740 -0.003 0.000 0.190 464 N C 0.231 175.780 175.510 0.066 0.000 1.116 464 N CA 0.094 53.166 53.050 0.037 0.000 0.881 464 N CB 0.636 39.147 38.487 0.040 0.000 1.006 464 N HN -0.021 nan 8.380 nan 0.000 0.491 465 V N 1.908 121.859 119.914 0.061 0.000 2.540 465 V HA 0.032 4.150 4.120 -0.003 0.000 0.297 465 V C 1.350 177.526 176.094 0.137 0.000 1.024 465 V CA 0.539 62.906 62.300 0.112 0.000 1.105 465 V CB 1.046 32.924 31.823 0.092 0.000 0.938 465 V HN 0.119 nan 8.190 nan 0.000 0.482 466 R N 2.501 123.119 120.500 0.198 0.000 2.316 466 R HA 0.169 4.507 4.340 -0.003 0.000 0.201 466 R C -0.166 176.325 176.300 0.318 0.000 0.888 466 R CA -0.073 56.156 56.100 0.215 0.000 1.041 466 R CB 0.680 31.094 30.300 0.190 0.000 1.115 466 R HN 0.729 nan 8.270 nan 0.000 0.559 467 W N 1.033 122.422 121.300 0.148 0.000 2.785 467 W HA 0.588 5.246 4.660 -0.004 0.000 0.333 467 W C -1.620 175.028 176.519 0.215 0.000 1.062 467 W CA -0.782 56.660 57.345 0.161 0.000 1.233 467 W CB 1.192 30.722 29.460 0.117 0.000 1.413 467 W HN -0.266 nan 8.180 nan 0.000 0.489 468 M N 6.853 126.090 119.600 -0.606 0.000 2.326 468 M HA 0.357 4.835 4.480 -0.003 0.000 0.292 468 M C -1.664 174.139 176.300 -0.828 0.000 1.081 468 M CA -1.162 53.740 55.300 -0.664 0.000 0.919 468 M CB 2.067 34.645 32.600 -0.036 0.000 1.634 468 M HN 0.386 nan 8.290 nan 0.000 0.451 469 L N 5.256 125.959 121.223 -0.867 0.000 2.305 469 L HA 0.718 5.056 4.340 -0.003 0.000 0.284 469 L C -1.932 174.832 176.870 -0.176 0.000 1.013 469 L CA -0.256 54.373 54.840 -0.352 0.000 0.819 469 L CB 1.190 43.121 42.059 -0.213 0.000 1.227 469 L HN 0.667 nan 8.230 nan 0.000 0.417 470 L N 5.479 126.664 121.223 -0.065 0.000 2.356 470 L HA 0.662 5.000 4.340 -0.003 0.000 0.277 470 L C 0.879 177.665 176.870 -0.139 0.000 0.996 470 L CA -0.520 54.291 54.840 -0.048 0.000 0.822 470 L CB 1.750 43.773 42.059 -0.059 0.000 1.256 470 L HN 0.778 nan 8.230 nan 0.000 0.413 471 G N 1.031 109.693 108.800 -0.229 0.000 3.197 471 G HA2 -0.036 3.922 3.960 -0.003 0.000 0.167 471 G HA3 -0.036 3.922 3.960 -0.003 0.000 0.167 471 G C -0.198 174.328 174.900 -0.623 0.000 1.914 471 G CA 0.192 44.845 45.100 -0.744 0.000 0.956 471 G HN 0.516 nan 8.290 nan 0.000 0.480 472 Y N 0.926 120.949 120.300 -0.461 0.000 2.897 472 Y HA 0.372 4.921 4.550 -0.003 0.000 0.372 472 Y C 0.942 176.731 175.900 -0.185 0.000 1.034 472 Y CA -0.817 57.100 58.100 -0.304 0.000 1.627 472 Y CB 0.062 38.363 38.460 -0.265 0.000 1.474 472 Y HN 0.234 nan 8.280 nan 0.000 0.517 473 V N -1.169 118.724 119.914 -0.035 0.000 2.834 473 V HA 0.941 5.060 4.120 -0.003 0.000 0.301 473 V C 0.595 176.695 176.094 0.010 0.000 1.066 473 V CA 0.080 62.407 62.300 0.045 0.000 1.052 473 V CB 0.829 32.724 31.823 0.119 0.000 1.021 473 V HN 0.628 nan 8.190 nan 0.000 0.480 474 G N 3.459 112.294 108.800 0.057 0.000 2.710 474 G HA2 -0.099 3.859 3.960 -0.003 0.000 0.668 474 G HA3 -0.099 3.859 3.960 -0.003 0.000 0.668 474 G C -0.268 174.612 174.900 -0.034 0.000 1.320 474 G CA 0.279 45.420 45.100 0.068 0.000 0.860 474 G HN 1.024 nan 8.290 nan 0.000 0.538 475 E N -0.953 119.242 120.200 -0.009 0.000 2.502 475 E HA 0.311 4.659 4.350 -0.003 0.000 0.206 475 E C 0.962 177.543 176.600 -0.032 0.000 0.821 475 E CA 0.566 56.945 56.400 -0.036 0.000 1.354 475 E CB 1.041 30.739 29.700 -0.003 0.000 1.336 475 E HN 1.133 nan 8.360 nan 0.000 0.675 476 S N 0.071 115.805 115.700 0.056 0.000 2.671 476 S HA 0.217 4.685 4.470 -0.003 0.000 0.277 476 S C -0.490 174.277 174.600 0.278 0.000 1.165 476 S CA -0.688 57.573 58.200 0.102 0.000 0.822 476 S CB 1.485 64.725 63.200 0.067 0.000 1.150 476 S HN -0.150 nan 8.310 nan 0.000 0.479 477 D N 0.950 121.511 120.400 0.269 0.000 2.393 477 D HA -0.042 4.596 4.640 -0.003 0.000 0.220 477 D C 1.434 177.805 176.300 0.119 0.000 0.974 477 D CA 0.911 55.064 54.000 0.255 0.000 0.931 477 D CB -0.039 40.853 40.800 0.154 0.000 0.889 477 D HN 0.540 nan 8.370 nan 0.000 0.512 478 E N 0.156 120.422 120.200 0.111 0.000 2.072 478 E HA -0.076 4.272 4.350 -0.003 0.000 0.191 478 E C 2.312 178.945 176.600 0.055 0.000 0.985 478 E CA 1.072 57.508 56.400 0.059 0.000 0.801 478 E CB -0.339 29.389 29.700 0.046 0.000 0.750 478 E HN 0.413 nan 8.360 nan 0.000 0.452 479 G N 1.359 110.223 108.800 0.107 0.000 2.422 479 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.218 479 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.218 479 G C 1.612 176.531 174.900 0.032 0.000 1.140 479 G CA 0.428 45.585 45.100 0.096 0.000 0.775 479 G HN 0.166 nan 8.290 nan 0.000 0.545 480 L N 0.248 121.392 121.223 -0.132 0.000 2.056 480 L HA 0.161 4.499 4.340 -0.003 0.000 0.207 480 L C 2.617 179.432 176.870 -0.091 0.000 1.078 480 L CA 1.701 56.300 54.840 -0.403 0.000 0.749 480 L CB -0.308 41.111 42.059 -1.067 0.000 0.901 480 L HN 0.221 nan 8.230 nan 0.000 0.433 481 M N -1.253 118.307 119.600 -0.067 0.000 2.175 481 M HA -0.154 4.324 4.480 -0.003 0.000 0.264 481 M C 2.002 178.299 176.300 -0.005 0.000 1.063 481 M CA 1.517 56.799 55.300 -0.029 0.000 1.119 481 M CB -0.248 32.337 32.600 -0.025 0.000 1.377 481 M HN 0.289 nan 8.290 nan 0.000 0.415 482 E N -0.018 120.190 120.200 0.014 0.000 2.077 482 E HA -0.205 4.143 4.350 -0.003 0.000 0.193 482 E C 1.730 178.347 176.600 0.028 0.000 0.989 482 E CA 1.270 57.675 56.400 0.009 0.000 0.800 482 E CB -0.697 29.007 29.700 0.006 0.000 0.746 482 E HN 0.602 nan 8.360 nan 0.000 0.452 483 F N 2.082 121.981 119.950 -0.084 0.000 2.126 483 F HA -0.240 4.285 4.527 -0.002 0.000 0.299 483 F C 2.490 178.242 175.800 -0.079 0.000 1.096 483 F CA 1.974 59.928 58.000 -0.077 0.000 1.255 483 F CB -0.386 38.564 39.000 -0.083 0.000 0.997 483 F HN 0.008 nan 8.300 nan 0.000 0.479 484 S N 1.412 117.058 115.700 -0.091 0.000 2.447 484 S HA -0.224 4.244 4.470 -0.003 0.000 0.233 484 S C 1.948 176.422 174.600 -0.211 0.000 1.006 484 S CA 0.804 58.889 58.200 -0.192 0.000 0.957 484 S CB -0.931 62.240 63.200 -0.048 0.000 0.773 484 S HN 0.716 nan 8.310 nan 0.000 0.507 485 R N 0.849 121.249 120.500 -0.168 0.000 2.323 485 R HA 0.315 4.653 4.340 -0.003 0.000 0.198 485 R C 1.172 177.365 176.300 -0.178 0.000 0.988 485 R CA 0.543 56.558 56.100 -0.143 0.000 1.041 485 R CB -0.439 29.801 30.300 -0.100 0.000 0.926 485 R HN 0.414 nan 8.270 nan 0.000 0.476 486 G N 0.274 108.913 108.800 -0.269 0.000 3.194 486 G HA2 0.237 4.195 3.960 -0.003 0.000 0.160 486 G HA3 0.237 4.195 3.960 -0.003 0.000 0.160 486 G C -0.569 174.151 174.900 -0.301 0.000 1.267 486 G CA -0.139 44.796 45.100 -0.275 0.000 0.962 486 G HN 0.315 nan 8.290 nan 0.000 0.612 487 C N 0.985 120.096 119.300 -0.315 0.000 3.112 487 C HA -0.087 4.371 4.460 -0.003 0.000 0.265 487 C C -0.857 174.052 174.990 -0.136 0.000 1.283 487 C CA -0.187 58.684 59.018 -0.244 0.000 2.378 487 C CB -1.891 25.628 27.740 -0.368 0.000 1.500 487 C HN 0.522 nan 8.230 nan 0.000 0.483 488 P HA -0.107 nan 4.420 nan 0.000 0.216 488 P C 0.809 178.098 177.300 -0.019 0.000 1.150 488 P CA 1.686 64.751 63.100 -0.057 0.000 0.837 488 P CB 0.048 31.720 31.700 -0.048 0.000 0.786 489 N N -1.733 116.966 118.700 -0.001 0.000 2.200 489 N HA 0.143 4.881 4.740 -0.003 0.000 0.224 489 N C -0.187 175.366 175.510 0.072 0.000 1.179 489 N CA -0.324 52.749 53.050 0.038 0.000 0.877 489 N CB 0.298 38.811 38.487 0.045 0.000 1.072 489 N HN 0.040 nan 8.380 nan 0.000 0.519 490 L N 1.789 123.048 121.223 0.061 0.000 2.534 490 L HA -0.020 4.318 4.340 -0.003 0.000 0.271 490 L C 0.836 177.801 176.870 0.158 0.000 1.178 490 L CA 0.849 55.756 54.840 0.113 0.000 0.907 490 L CB 0.838 42.948 42.059 0.084 0.000 1.164 490 L HN 0.336 nan 8.230 nan 0.000 0.482 491 Q N 3.176 123.102 119.800 0.211 0.000 2.481 491 Q HA 0.101 4.439 4.340 -0.003 0.000 0.219 491 Q C 0.047 176.243 176.000 0.325 0.000 0.920 491 Q CA 0.338 56.290 55.803 0.249 0.000 0.915 491 Q CB 0.789 29.660 28.738 0.223 0.000 1.057 491 Q HN 0.472 nan 8.270 nan 0.000 0.581 492 K N 0.901 121.513 120.400 0.353 0.000 2.345 492 K HA 0.499 4.817 4.320 -0.003 0.000 0.255 492 K C -1.904 174.963 176.600 0.444 0.000 0.934 492 K CA -0.578 55.979 56.287 0.451 0.000 0.801 492 K CB 1.461 34.190 32.500 0.382 0.000 1.137 492 K HN -0.043 nan 8.250 nan 0.000 0.424 493 L N 3.234 124.728 121.223 0.452 0.000 2.441 493 L HA 0.426 4.764 4.340 -0.003 0.000 0.270 493 L C -1.676 175.411 176.870 0.362 0.000 0.973 493 L CA 0.017 55.046 54.840 0.316 0.000 0.842 493 L CB 1.916 44.137 42.059 0.270 0.000 1.239 493 L HN 0.721 nan 8.230 nan 0.000 0.406 494 E N 6.279 126.668 120.200 0.315 0.000 2.199 494 E HA 0.690 5.038 4.350 -0.003 0.000 0.265 494 E C -1.362 175.387 176.600 0.248 0.000 0.882 494 E CA -0.533 56.139 56.400 0.453 0.000 0.759 494 E CB 2.025 32.069 29.700 0.574 0.000 1.148 494 E HN 0.573 nan 8.360 nan 0.000 0.412 495 M N 2.933 122.633 119.600 0.166 0.000 2.271 495 M HA 0.484 4.962 4.480 -0.003 0.000 0.285 495 M C -0.690 175.573 176.300 -0.062 0.000 1.059 495 M CA -0.856 54.458 55.300 0.023 0.000 0.940 495 M CB 2.434 35.025 32.600 -0.016 0.000 1.636 495 M HN 0.389 nan 8.290 nan 0.000 0.460 496 R N 1.040 121.485 120.500 -0.091 0.000 2.795 496 R HA 0.849 5.187 4.340 -0.003 0.000 0.275 496 R C 0.071 176.079 176.300 -0.488 0.000 0.981 496 R CA -0.098 55.900 56.100 -0.170 0.000 0.917 496 R CB 2.038 32.365 30.300 0.046 0.000 1.202 496 R HN 0.989 nan 8.270 nan 0.000 0.469 497 G N 1.131 109.638 108.800 -0.489 0.000 2.326 497 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.286 497 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.286 497 G C -0.479 173.977 174.900 -0.739 0.000 1.096 497 G CA 0.094 44.655 45.100 -0.898 0.000 1.003 497 G HN 0.635 nan 8.290 nan 0.000 0.503 498 C N -0.704 118.378 119.300 -0.362 0.000 2.529 498 C HA 0.636 5.094 4.460 -0.003 0.000 0.329 498 C C 1.925 176.729 174.990 -0.311 0.000 1.194 498 C CA -0.092 58.706 59.018 -0.366 0.000 1.779 498 C CB 1.282 28.866 27.740 -0.259 0.000 2.322 498 C HN 1.126 nan 8.230 nan 0.000 0.500 499 C N -0.716 118.269 119.300 -0.525 0.000 2.693 499 C HA 0.434 4.892 4.460 -0.003 0.000 0.286 499 C C 0.307 175.134 174.990 -0.270 0.000 1.277 499 C CA -0.620 58.195 59.018 -0.339 0.000 1.705 499 C CB -2.540 25.022 27.740 -0.297 0.000 1.879 499 C HN 0.647 nan 8.230 nan 0.000 0.607 500 F N 2.628 122.582 119.950 0.008 0.000 2.382 500 F HA 0.448 4.973 4.527 -0.002 0.000 0.331 500 F C 1.250 177.086 175.800 0.060 0.000 1.121 500 F CA -0.212 57.800 58.000 0.020 0.000 1.183 500 F CB 0.890 39.890 39.000 0.001 0.000 1.207 500 F HN 0.237 nan 8.300 nan 0.000 0.555 501 S N 0.587 116.442 115.700 0.257 0.000 2.713 501 S HA 0.263 4.731 4.470 -0.003 0.000 0.283 501 S C 0.754 175.473 174.600 0.198 0.000 1.161 501 S CA -0.769 57.539 58.200 0.180 0.000 0.999 501 S CB 1.450 64.720 63.200 0.115 0.000 1.039 501 S HN 0.747 nan 8.310 nan 0.000 0.548 502 E N 0.893 121.214 120.200 0.202 0.000 2.038 502 E HA -0.204 4.144 4.350 -0.003 0.000 0.195 502 E C 2.249 178.911 176.600 0.102 0.000 1.000 502 E CA 1.367 57.882 56.400 0.192 0.000 0.803 502 E CB -0.201 29.612 29.700 0.188 0.000 0.750 502 E HN 0.679 nan 8.360 nan 0.000 0.448 503 R N 1.168 121.715 120.500 0.079 0.000 2.235 503 R HA 0.032 4.370 4.340 -0.003 0.000 0.213 503 R C 1.795 178.116 176.300 0.035 0.000 1.059 503 R CA 1.196 57.324 56.100 0.048 0.000 0.997 503 R CB -0.227 30.096 30.300 0.038 0.000 0.884 503 R HN 0.103 nan 8.270 nan 0.000 0.462 504 A N 2.174 125.024 122.820 0.051 0.000 1.872 504 A HA -0.003 4.315 4.320 -0.003 0.000 0.214 504 A C 2.307 179.881 177.584 -0.017 0.000 1.187 504 A CA 1.046 53.099 52.037 0.027 0.000 0.614 504 A CB -0.248 18.799 19.000 0.077 0.000 0.826 504 A HN 0.206 nan 8.150 nan 0.000 0.442 505 I N 0.180 120.752 120.570 0.003 0.000 2.076 505 I HA -0.278 3.890 4.170 -0.003 0.000 0.237 505 I C 3.045 179.153 176.117 -0.016 0.000 1.059 505 I CA 1.629 62.914 61.300 -0.025 0.000 1.317 505 I CB -1.733 36.256 38.000 -0.018 0.000 1.037 505 I HN 0.365 nan 8.210 nan 0.000 0.398 506 A N 1.077 123.899 122.820 0.004 0.000 1.915 506 A HA -0.263 4.055 4.320 -0.003 0.000 0.220 506 A C 2.511 180.079 177.584 -0.026 0.000 1.198 506 A CA 2.866 54.904 52.037 0.001 0.000 0.647 506 A CB -0.977 18.032 19.000 0.016 0.000 0.825 506 A HN 0.514 nan 8.150 nan 0.000 0.456 507 A N -0.921 121.885 122.820 -0.024 0.000 1.968 507 A HA 0.307 4.625 4.320 -0.003 0.000 0.217 507 A C 2.415 179.971 177.584 -0.047 0.000 1.169 507 A CA 1.741 53.757 52.037 -0.034 0.000 0.638 507 A CB -0.754 18.233 19.000 -0.023 0.000 0.812 507 A HN 1.083 nan 8.150 nan 0.000 0.446 508 A N -0.642 122.150 122.820 -0.047 0.000 1.968 508 A HA 0.107 4.425 4.320 -0.003 0.000 0.217 508 A C 2.127 179.684 177.584 -0.045 0.000 1.169 508 A CA 1.382 53.392 52.037 -0.044 0.000 0.638 508 A CB -0.708 18.264 19.000 -0.047 0.000 0.812 508 A HN 0.305 nan 8.150 nan 0.000 0.446 509 V N 0.450 120.333 119.914 -0.051 0.000 2.392 509 V HA -0.235 3.883 4.120 -0.003 0.000 0.249 509 V C 2.725 178.724 176.094 -0.157 0.000 1.059 509 V CA 2.481 64.728 62.300 -0.088 0.000 1.051 509 V CB -1.112 30.651 31.823 -0.101 0.000 0.658 509 V HN 0.682 nan 8.190 nan 0.000 0.455 510 T N -1.022 113.446 114.554 -0.142 0.000 2.904 510 T HA -0.146 4.202 4.350 -0.003 0.000 0.267 510 T C 1.809 176.449 174.700 -0.100 0.000 1.059 510 T CA 0.951 62.965 62.100 -0.142 0.000 1.137 510 T CB -0.150 68.652 68.868 -0.110 0.000 0.879 510 T HN 0.442 nan 8.240 nan 0.000 0.467 511 K N 0.375 120.725 120.400 -0.083 0.000 2.366 511 K HA 0.183 4.501 4.320 -0.003 0.000 0.198 511 K C 0.326 176.877 176.600 -0.081 0.000 1.044 511 K CA 0.209 56.451 56.287 -0.075 0.000 0.973 511 K CB -0.093 32.365 32.500 -0.071 0.000 0.767 511 K HN 0.336 nan 8.250 nan 0.000 0.475 512 L N 3.107 124.282 121.223 -0.080 0.000 2.315 512 L HA 0.074 4.413 4.340 -0.003 0.000 0.283 512 L C -1.272 175.573 176.870 -0.041 0.000 1.089 512 L CA -1.382 53.417 54.840 -0.070 0.000 0.833 512 L CB 0.893 42.927 42.059 -0.042 0.000 1.170 512 L HN -0.015 nan 8.230 nan 0.000 0.442 513 P HA -0.074 nan 4.420 nan 0.000 0.219 513 P C 0.929 178.247 177.300 0.030 0.000 1.150 513 P CA 0.893 63.986 63.100 -0.011 0.000 0.814 513 P CB 0.540 32.226 31.700 -0.023 0.000 0.787 514 S N -1.194 114.537 115.700 0.051 0.000 2.540 514 S HA 0.148 4.616 4.470 -0.003 0.000 0.222 514 S C 0.650 175.354 174.600 0.174 0.000 1.008 514 S CA -0.485 57.776 58.200 0.101 0.000 0.939 514 S CB -0.332 62.921 63.200 0.087 0.000 0.865 514 S HN 0.000 nan 8.310 nan 0.000 0.499 515 L N 3.804 125.126 121.223 0.164 0.000 2.559 515 L HA 0.071 4.409 4.340 -0.003 0.000 0.274 515 L C 1.002 178.103 176.870 0.385 0.000 1.205 515 L CA 0.774 55.758 54.840 0.241 0.000 0.907 515 L CB 0.428 42.584 42.059 0.163 0.000 1.153 515 L HN 0.245 nan 8.230 nan 0.000 0.490 516 R N 3.109 123.914 120.500 0.509 0.000 2.541 516 R HA 0.240 4.579 4.340 -0.003 0.000 0.332 516 R C -0.791 175.914 176.300 0.675 0.000 0.951 516 R CA -0.526 55.995 56.100 0.703 0.000 1.136 516 R CB 0.124 30.789 30.300 0.609 0.000 1.449 516 R HN 0.491 nan 8.270 nan 0.000 0.531 517 Y N 0.544 121.103 120.300 0.432 0.000 2.480 517 Y HA 0.552 5.100 4.550 -0.004 0.000 0.329 517 Y C -2.286 173.812 175.900 0.329 0.000 1.127 517 Y CA -1.460 56.838 58.100 0.330 0.000 1.037 517 Y CB 2.173 40.802 38.460 0.281 0.000 1.320 517 Y HN 0.036 nan 8.280 nan 0.000 0.446 518 L N 7.465 128.738 121.223 0.083 0.000 2.516 518 L HA 0.534 4.872 4.340 -0.003 0.000 0.267 518 L C -2.284 174.613 176.870 0.045 0.000 0.957 518 L CA -0.498 54.449 54.840 0.178 0.000 0.860 518 L CB 1.493 43.675 42.059 0.206 0.000 1.265 518 L HN 0.716 nan 8.230 nan 0.000 0.403 519 W N 7.457 128.761 121.300 0.006 0.000 2.785 519 W HA 0.834 5.492 4.660 -0.004 0.000 0.333 519 W C -2.279 174.227 176.519 -0.021 0.000 1.062 519 W CA -0.899 56.423 57.345 -0.038 0.000 1.233 519 W CB 1.814 31.284 29.460 0.016 0.000 1.413 519 W HN 0.380 nan 8.180 nan 0.000 0.489 520 V N 5.083 124.352 119.914 -1.075 0.000 2.777 520 V HA 0.277 4.395 4.120 -0.003 0.000 0.306 520 V C -0.730 174.700 176.094 -1.106 0.000 1.112 520 V CA -0.683 61.046 62.300 -0.952 0.000 0.917 520 V CB 1.739 33.251 31.823 -0.518 0.000 1.018 520 V HN 0.628 nan 8.190 nan 0.000 0.426 521 Q N 2.257 121.580 119.800 -0.796 0.000 2.330 521 Q HA 0.641 4.979 4.340 -0.003 0.000 0.269 521 Q C 0.033 176.005 176.000 -0.046 0.000 1.022 521 Q CA 0.137 55.744 55.803 -0.327 0.000 0.796 521 Q CB 1.980 30.598 28.738 -0.200 0.000 1.271 521 Q HN 1.426 nan 8.270 nan 0.000 0.450 522 G N 3.331 112.236 108.800 0.174 0.000 3.421 522 G HA2 -0.157 3.801 3.960 -0.003 0.000 0.656 522 G HA3 -0.157 3.801 3.960 -0.003 0.000 0.656 522 G C -1.445 173.601 174.900 0.243 0.000 1.007 522 G CA -0.031 45.156 45.100 0.145 0.000 0.811 522 G HN 0.834 nan 8.290 nan 0.000 0.433 523 Y N -1.311 118.954 120.300 -0.057 0.000 2.620 523 Y HA 0.701 5.250 4.550 -0.003 0.000 0.331 523 Y C -0.246 175.644 175.900 -0.017 0.000 1.173 523 Y CA -2.176 55.904 58.100 -0.032 0.000 1.076 523 Y CB 0.710 39.161 38.460 -0.016 0.000 1.336 523 Y HN 0.569 nan 8.280 nan 0.000 0.459 524 R N 2.282 122.763 120.500 -0.032 0.000 2.435 524 R HA 0.541 4.880 4.340 -0.003 0.000 0.325 524 R C 0.419 176.630 176.300 -0.148 0.000 1.149 524 R CA 0.485 56.524 56.100 -0.102 0.000 0.995 524 R CB 0.124 30.418 30.300 -0.010 0.000 1.008 524 R HN 0.836 nan 8.270 nan 0.000 0.470 525 A N 2.449 125.064 122.820 -0.341 0.000 2.372 525 A HA 0.498 4.816 4.320 -0.003 0.000 0.271 525 A C -0.027 177.507 177.584 -0.084 0.000 1.470 525 A CA -0.167 51.711 52.037 -0.266 0.000 0.827 525 A CB 0.522 19.297 19.000 -0.376 0.000 1.405 525 A HN 0.687 nan 8.150 nan 0.000 0.536 526 S N -3.230 112.444 115.700 -0.042 0.000 2.556 526 S HA 0.358 4.826 4.470 -0.003 0.000 0.280 526 S C 0.088 174.684 174.600 -0.008 0.000 1.141 526 S CA 0.021 58.211 58.200 -0.018 0.000 0.883 526 S CB 0.830 64.034 63.200 0.006 0.000 1.103 526 S HN 0.690 nan 8.310 nan 0.000 0.453 527 M N 2.570 122.164 119.600 -0.010 0.000 2.144 527 M HA -0.070 4.408 4.480 -0.003 0.000 0.260 527 M C 1.953 178.257 176.300 0.006 0.000 1.067 527 M CA 2.580 57.877 55.300 -0.005 0.000 1.095 527 M CB -1.293 31.304 32.600 -0.006 0.000 1.365 527 M HN 0.962 nan 8.290 nan 0.000 0.406 528 T N -0.899 113.661 114.554 0.009 0.000 2.580 528 T HA -0.052 4.296 4.350 -0.003 0.000 0.265 528 T C 1.753 176.467 174.700 0.023 0.000 1.063 528 T CA 1.884 63.993 62.100 0.015 0.000 1.170 528 T CB -1.261 67.617 68.868 0.016 0.000 0.863 528 T HN 0.660 nan 8.240 nan 0.000 0.418 529 G N 0.243 109.063 108.800 0.034 0.000 2.225 529 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.254 529 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.254 529 G C 0.847 175.776 174.900 0.049 0.000 0.988 529 G CA 0.412 45.542 45.100 0.051 0.000 0.625 529 G HN 0.474 nan 8.290 nan 0.000 0.527 530 Q N 0.398 120.220 119.800 0.036 0.000 2.482 530 Q HA 0.099 4.437 4.340 -0.003 0.000 0.209 530 Q C 1.561 177.582 176.000 0.035 0.000 0.961 530 Q CA 1.309 57.131 55.803 0.031 0.000 0.945 530 Q CB -0.014 28.737 28.738 0.022 0.000 1.012 530 Q HN 0.693 nan 8.270 nan 0.000 0.515 531 D N 0.220 120.648 120.400 0.045 0.000 2.162 531 D HA -0.059 4.579 4.640 -0.003 0.000 0.203 531 D C 1.757 178.087 176.300 0.050 0.000 0.967 531 D CA 0.479 54.508 54.000 0.047 0.000 0.840 531 D CB 0.034 40.869 40.800 0.059 0.000 0.972 531 D HN 0.134 nan 8.370 nan 0.000 0.482 532 L N 0.175 121.435 121.223 0.062 0.000 2.127 532 L HA -0.151 4.187 4.340 -0.003 0.000 0.211 532 L C 2.012 178.913 176.870 0.051 0.000 1.089 532 L CA 0.556 55.429 54.840 0.056 0.000 0.757 532 L CB -0.227 41.866 42.059 0.055 0.000 0.899 532 L HN 0.140 nan 8.230 nan 0.000 0.434 533 M N -0.216 119.410 119.600 0.044 0.000 2.260 533 M HA -0.239 4.239 4.480 -0.003 0.000 0.261 533 M C 1.952 178.272 176.300 0.033 0.000 1.066 533 M CA 1.450 56.774 55.300 0.040 0.000 1.082 533 M CB -0.981 31.637 32.600 0.030 0.000 1.388 533 M HN 0.450 nan 8.290 nan 0.000 0.419 534 Q N 0.416 120.230 119.800 0.025 0.000 2.362 534 Q HA -0.023 4.315 4.340 -0.003 0.000 0.215 534 Q C 0.956 176.953 176.000 -0.005 0.000 0.944 534 Q CA 0.358 56.167 55.803 0.010 0.000 0.964 534 Q CB -0.590 28.152 28.738 0.006 0.000 0.998 534 Q HN 0.723 nan 8.270 nan 0.000 0.488 535 M N -3.179 116.424 119.600 0.006 0.000 2.410 535 M HA 0.524 5.002 4.480 -0.003 0.000 0.376 535 M C -0.157 176.130 176.300 -0.023 0.000 1.051 535 M CA -0.482 54.794 55.300 -0.040 0.000 0.949 535 M CB 1.004 33.587 32.600 -0.029 0.000 1.577 535 M HN 0.063 nan 8.290 nan 0.000 0.560 536 A N 2.296 125.140 122.820 0.040 0.000 2.655 536 A HA 0.486 4.804 4.320 -0.003 0.000 0.297 536 A C 0.017 177.633 177.584 0.053 0.000 1.461 536 A CA -0.322 51.769 52.037 0.091 0.000 1.146 536 A CB -0.294 18.746 19.000 0.067 0.000 1.108 536 A HN 0.661 nan 8.150 nan 0.000 0.550 537 R N 1.897 122.426 120.500 0.048 0.000 2.574 537 R HA 0.496 4.834 4.340 -0.003 0.000 0.266 537 R C -2.473 173.919 176.300 0.154 0.000 1.157 537 R CA -1.411 54.734 56.100 0.076 0.000 1.187 537 R CB -0.217 30.119 30.300 0.060 0.000 1.179 537 R HN 0.377 nan 8.270 nan 0.000 0.600 538 P HA 0.183 nan 4.420 nan 0.000 0.281 538 P C -1.025 176.435 177.300 0.267 0.000 1.249 538 P CA -0.328 62.804 63.100 0.053 0.000 0.810 538 P CB 0.318 31.977 31.700 -0.068 0.000 1.008 539 Y N -2.859 117.591 120.300 0.250 0.000 4.929 539 Y HA -0.208 4.338 4.550 -0.007 0.000 0.253 539 Y C 0.018 176.180 175.900 0.437 0.000 0.946 539 Y CA 0.466 58.763 58.100 0.329 0.000 1.905 539 Y CB -1.686 36.992 38.460 0.363 0.000 1.400 539 Y HN 0.498 nan 8.280 nan 0.000 0.531 540 W N 3.547 124.941 121.300 0.157 0.000 2.278 540 W HA 0.428 5.087 4.660 -0.002 0.000 0.317 540 W C -0.679 175.733 176.519 -0.178 0.000 1.030 540 W CA -0.761 56.514 57.345 -0.116 0.000 1.334 540 W CB 0.627 29.964 29.460 -0.206 0.000 1.215 540 W HN -0.100 nan 8.180 nan 0.000 0.405 541 N N 5.432 123.747 118.700 -0.643 0.000 2.472 541 N HA 0.291 5.029 4.740 -0.003 0.000 0.277 541 N C -0.442 174.555 175.510 -0.855 0.000 1.081 541 N CA -0.209 52.429 53.050 -0.687 0.000 0.973 541 N CB 1.551 39.510 38.487 -0.880 0.000 1.105 541 N HN 0.437 nan 8.380 nan 0.000 0.470 542 I N -1.854 118.436 120.570 -0.467 0.000 2.569 542 I HA 0.628 4.796 4.170 -0.003 0.000 0.296 542 I C -0.531 175.489 176.117 -0.160 0.000 1.028 542 I CA -0.432 60.665 61.300 -0.338 0.000 1.082 542 I CB 1.895 39.781 38.000 -0.191 0.000 1.264 542 I HN 0.366 nan 8.210 nan 0.000 0.429 543 E N 5.478 125.638 120.200 -0.067 0.000 2.367 543 E HA 0.724 5.072 4.350 -0.003 0.000 0.273 543 E C -1.584 175.057 176.600 0.068 0.000 0.903 543 E CA -0.873 55.550 56.400 0.037 0.000 0.764 543 E CB 2.779 32.568 29.700 0.149 0.000 1.252 543 E HN 0.575 nan 8.360 nan 0.000 0.446 544 L N 2.577 123.852 121.223 0.086 0.000 2.381 544 L HA 0.642 4.980 4.340 -0.003 0.000 0.268 544 L C -0.588 176.352 176.870 0.116 0.000 0.997 544 L CA -0.601 54.294 54.840 0.092 0.000 0.818 544 L CB 1.374 43.475 42.059 0.071 0.000 1.310 544 L HN 0.381 nan 8.230 nan 0.000 0.416 545 I N 0.786 121.420 120.570 0.106 0.000 3.239 545 I HA 0.558 4.726 4.170 -0.003 0.000 0.314 545 I C -2.272 173.794 176.117 -0.085 0.000 1.126 545 I CA -1.716 59.624 61.300 0.066 0.000 0.973 545 I CB 2.260 40.364 38.000 0.174 0.000 1.252 545 I HN 0.393 nan 8.210 nan 0.000 0.463 546 P HA 0.258 nan 4.420 nan 0.000 0.184 546 P C -0.732 176.410 177.300 -0.263 0.000 1.074 546 P CA -0.124 62.891 63.100 -0.141 0.000 0.790 546 P CB 0.675 32.358 31.700 -0.028 0.000 0.843 547 S N -1.755 113.854 115.700 -0.153 0.000 2.754 547 S HA 0.428 4.896 4.470 -0.003 0.000 0.302 547 S C -1.417 173.042 174.600 -0.234 0.000 0.922 547 S CA -0.746 57.311 58.200 -0.238 0.000 0.822 547 S CB 0.103 62.998 63.200 -0.508 0.000 1.020 547 S HN 0.042 nan 8.310 nan 0.000 0.475 548 R N 1.625 122.031 120.500 -0.156 0.000 3.270 548 R HA 0.680 5.018 4.340 -0.003 0.000 0.252 548 R C -0.353 175.910 176.300 -0.061 0.000 1.331 548 R CA -0.754 55.295 56.100 -0.084 0.000 1.028 548 R CB 0.439 30.732 30.300 -0.011 0.000 1.450 548 R HN 0.928 nan 8.270 nan 0.000 0.471 564 H N 2.415 121.515 119.070 0.050 0.000 2.685 564 H HA 0.359 4.913 4.556 -0.003 0.000 0.307 564 H C -2.299 173.051 175.328 0.035 0.000 1.017 564 H CA -1.642 54.447 56.048 0.068 0.000 1.237 564 H CB 1.280 31.081 29.762 0.065 0.000 1.409 564 H HN 0.322 nan 8.280 nan 0.000 0.488 565 P HA 0.042 nan 4.420 nan 0.000 0.269 565 P C -0.458 176.902 177.300 0.100 0.000 1.217 565 P CA -0.372 62.795 63.100 0.112 0.000 0.783 565 P CB 0.656 32.432 31.700 0.127 0.000 0.898 566 A N 2.023 124.900 122.820 0.096 0.000 2.488 566 A HA 0.103 4.421 4.320 -0.003 0.000 0.249 566 A C -0.072 177.636 177.584 0.207 0.000 1.083 566 A CA 0.109 52.209 52.037 0.106 0.000 0.768 566 A CB -0.725 18.368 19.000 0.156 0.000 1.017 566 A HN 0.621 nan 8.150 nan 0.000 0.496 567 H N 0.781 119.862 119.070 0.019 0.000 2.481 567 H HA 0.508 5.062 4.556 -0.003 0.000 0.339 567 H C -0.580 174.634 175.328 -0.191 0.000 1.131 567 H CA -0.589 55.329 56.048 -0.217 0.000 1.301 567 H CB 1.313 31.006 29.762 -0.115 0.000 1.476 567 H HN 0.552 nan 8.280 nan 0.000 0.529 568 I N 3.255 123.670 120.570 -0.258 0.000 2.389 568 I HA 0.136 4.305 4.170 -0.003 0.000 0.288 568 I C -1.128 174.914 176.117 -0.126 0.000 0.999 568 I CA -0.613 60.562 61.300 -0.208 0.000 1.129 568 I CB 1.617 39.391 38.000 -0.377 0.000 1.288 568 I HN 0.204 nan 8.210 nan 0.000 0.444 569 L N 7.168 128.393 121.223 0.003 0.000 2.362 569 L HA 0.912 5.250 4.340 -0.003 0.000 0.275 569 L C -0.836 175.990 176.870 -0.072 0.000 0.998 569 L CA -0.104 54.757 54.840 0.034 0.000 0.820 569 L CB 1.626 43.807 42.059 0.204 0.000 1.270 569 L HN 0.679 nan 8.230 nan 0.000 0.415 570 A N 4.313 126.999 122.820 -0.222 0.000 2.486 570 A HA 0.839 5.157 4.320 -0.003 0.000 0.300 570 A C -1.934 175.226 177.584 -0.706 0.000 1.048 570 A CA -0.384 51.290 52.037 -0.605 0.000 0.696 570 A CB 1.208 19.806 19.000 -0.669 0.000 1.278 570 A HN 0.890 nan 8.150 nan 0.000 0.405 571 Y N -1.390 118.302 120.300 -1.013 0.000 2.592 571 Y HA 0.673 5.221 4.550 -0.003 0.000 0.334 571 Y C -1.186 174.461 175.900 -0.422 0.000 1.136 571 Y CA -1.487 56.271 58.100 -0.569 0.000 1.042 571 Y CB 0.663 39.055 38.460 -0.114 0.000 1.325 571 Y HN 0.589 nan 8.280 nan 0.000 0.457 572 Y N 1.685 122.124 120.300 0.232 0.000 2.425 572 Y HA 0.433 4.981 4.550 -0.003 0.000 0.331 572 Y C 0.662 176.772 175.900 0.351 0.000 1.157 572 Y CA 0.657 58.977 58.100 0.367 0.000 1.372 572 Y CB 1.339 40.067 38.460 0.446 0.000 1.253 572 Y HN 0.723 nan 8.280 nan 0.000 0.536 573 S N 3.925 119.934 115.700 0.514 0.000 2.566 573 S HA 0.363 4.831 4.470 -0.003 0.000 0.273 573 S C -0.704 174.135 174.600 0.399 0.000 1.157 573 S CA -0.837 57.622 58.200 0.432 0.000 0.938 573 S CB 0.528 63.997 63.200 0.447 0.000 1.087 573 S HN 0.703 nan 8.310 nan 0.000 0.474 574 L N 3.745 125.141 121.223 0.288 0.000 2.862 574 L HA 0.445 4.783 4.340 -0.003 0.000 0.240 574 L C 1.397 178.419 176.870 0.255 0.000 1.283 574 L CA 0.191 55.182 54.840 0.252 0.000 1.117 574 L CB -0.481 41.634 42.059 0.093 0.000 1.444 574 L HN 0.752 nan 8.230 nan 0.000 0.456 575 A N -0.846 122.134 122.820 0.266 0.000 2.048 575 A HA 0.679 4.998 4.320 -0.003 0.000 0.197 575 A C 1.077 178.761 177.584 0.166 0.000 1.486 575 A CA 0.502 52.661 52.037 0.203 0.000 1.029 575 A CB 0.406 19.541 19.000 0.226 0.000 1.101 575 A HN 0.453 nan 8.150 nan 0.000 0.470 576 G N -0.622 108.283 108.800 0.175 0.000 2.526 576 G HA2 -0.045 3.913 3.960 -0.003 0.000 0.250 576 G HA3 -0.045 3.913 3.960 -0.003 0.000 0.250 576 G C -0.711 174.240 174.900 0.084 0.000 1.289 576 G CA -0.324 44.837 45.100 0.101 0.000 0.947 576 G HN 0.554 nan 8.290 nan 0.000 0.517 577 Q N 0.460 120.278 119.800 0.030 0.000 2.288 577 Q HA 0.501 4.839 4.340 -0.003 0.000 0.254 577 Q C 0.792 176.793 176.000 0.001 0.000 0.932 577 Q CA -0.409 55.394 55.803 0.000 0.000 0.902 577 Q CB 0.713 29.429 28.738 -0.036 0.000 1.203 577 Q HN 0.567 nan 8.270 nan 0.000 0.415 578 R N 0.998 121.474 120.500 -0.041 0.000 2.679 578 R HA 0.034 4.372 4.340 -0.003 0.000 0.268 578 R C 0.666 176.920 176.300 -0.077 0.000 1.044 578 R CA 0.172 56.220 56.100 -0.088 0.000 1.105 578 R CB -0.015 30.054 30.300 -0.386 0.000 0.989 578 R HN 0.585 nan 8.270 nan 0.000 0.447 579 T N 0.345 114.879 114.554 -0.034 0.000 3.014 579 T HA -0.092 4.257 4.350 -0.003 0.000 0.263 579 T C 0.662 175.334 174.700 -0.046 0.000 1.078 579 T CA 1.186 63.267 62.100 -0.033 0.000 1.135 579 T CB -0.124 68.736 68.868 -0.013 0.000 0.895 579 T HN 0.753 nan 8.240 nan 0.000 0.480 580 D N 0.404 120.777 120.400 -0.045 0.000 2.370 580 D HA 0.080 4.718 4.640 -0.003 0.000 0.230 580 D C -0.132 176.131 176.300 -0.063 0.000 1.143 580 D CA -0.521 53.474 54.000 -0.008 0.000 0.834 580 D CB -1.442 39.447 40.800 0.149 0.000 0.944 580 D HN 0.203 nan 8.370 nan 0.000 0.504 581 C N 2.032 121.251 119.300 -0.135 0.000 2.634 581 C HA 0.182 4.640 4.460 -0.003 0.000 0.418 581 C C -1.441 173.511 174.990 -0.063 0.000 1.373 581 C CA -0.912 58.014 59.018 -0.154 0.000 1.756 581 C CB -0.338 27.322 27.740 -0.133 0.000 2.589 581 C HN 0.359 nan 8.230 nan 0.000 0.602 582 P HA 0.104 nan 4.420 nan 0.000 0.273 582 P C 0.933 178.239 177.300 0.010 0.000 1.258 582 P CA 0.126 63.235 63.100 0.015 0.000 0.802 582 P CB 0.313 32.042 31.700 0.048 0.000 1.040 583 T N -1.311 113.255 114.554 0.021 0.000 2.896 583 T HA -0.098 4.250 4.350 -0.003 0.000 0.263 583 T C 1.516 176.231 174.700 0.026 0.000 1.050 583 T CA 1.860 63.971 62.100 0.017 0.000 1.140 583 T CB -0.992 67.886 68.868 0.017 0.000 0.877 583 T HN 0.657 nan 8.240 nan 0.000 0.457 584 T N 0.254 114.832 114.554 0.040 0.000 3.155 584 T HA 0.108 4.457 4.350 -0.003 0.000 0.264 584 T C 0.372 175.111 174.700 0.065 0.000 1.160 584 T CA 0.033 62.163 62.100 0.050 0.000 1.075 584 T CB -0.552 68.352 68.868 0.060 0.000 0.921 584 T HN 0.072 nan 8.240 nan 0.000 0.533 585 V N 0.812 120.760 119.914 0.056 0.000 2.588 585 V HA 0.555 4.673 4.120 -0.003 0.000 0.304 585 V C -0.215 175.900 176.094 0.035 0.000 1.042 585 V CA -1.192 61.150 62.300 0.070 0.000 0.877 585 V CB 2.048 33.920 31.823 0.082 0.000 0.996 585 V HN 0.260 nan 8.190 nan 0.000 0.425 586 R N 2.513 123.039 120.500 0.043 0.000 2.494 586 R HA 0.753 5.091 4.340 -0.003 0.000 0.305 586 R C -1.481 174.827 176.300 0.013 0.000 0.959 586 R CA -0.507 55.606 56.100 0.022 0.000 0.864 586 R CB 2.105 32.421 30.300 0.026 0.000 1.159 586 R HN 0.572 nan 8.270 nan 0.000 0.446 587 V N 5.795 125.704 119.914 -0.008 0.000 2.347 587 V HA 0.312 4.430 4.120 -0.003 0.000 0.280 587 V C 0.303 176.382 176.094 -0.024 0.000 1.021 587 V CA -0.796 61.488 62.300 -0.026 0.000 0.847 587 V CB 1.338 33.134 31.823 -0.044 0.000 0.990 587 V HN 0.644 nan 8.190 nan 0.000 0.444 588 L N 5.476 126.683 121.223 -0.026 0.000 2.367 588 L HA 0.397 4.735 4.340 -0.003 0.000 0.275 588 L C 0.563 177.421 176.870 -0.020 0.000 1.129 588 L CA 0.146 54.977 54.840 -0.015 0.000 0.839 588 L CB 0.635 42.691 42.059 -0.005 0.000 1.133 588 L HN 0.639 nan 8.230 nan 0.000 0.453 589 K N 4.361 124.755 120.400 -0.010 0.000 2.920 589 K HA 0.227 4.545 4.320 -0.003 0.000 0.175 589 K C -0.879 175.720 176.600 -0.002 0.000 1.099 589 K CA -0.523 55.758 56.287 -0.010 0.000 0.939 589 K CB 0.898 33.389 32.500 -0.015 0.000 1.148 589 K HN 0.522 nan 8.250 nan 0.000 0.613 590 E N -0.280 119.923 120.200 0.004 0.000 7.835 590 E HA -0.178 4.170 4.350 -0.003 0.000 0.160 590 E C -2.624 173.979 176.600 0.006 0.000 1.465 590 E CA 0.282 56.686 56.400 0.007 0.000 2.539 590 E CB -1.322 28.380 29.700 0.004 0.000 1.573 590 E HN 0.272 nan 8.360 nan 0.000 0.447 591 P HA -0.071 nan 4.420 nan 0.000 0.252 591 P C 0.289 177.591 177.300 0.004 0.000 1.147 591 P CA 0.522 63.626 63.100 0.006 0.000 0.779 591 P CB -0.046 31.657 31.700 0.004 0.000 0.733 592 I N 0.000 120.573 120.570 0.005 0.000 2.984 592 I HA 0.000 4.168 4.170 -0.003 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