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_L 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 2.975 122.282 119.300 0.010 0.000 2.328 13 C HA 0.823 5.283 4.460 0.001 0.000 0.378 13 C C 0.794 175.791 174.990 0.012 0.000 1.249 13 C CA -0.227 58.797 59.018 0.011 0.000 2.204 13 C CB 0.742 28.490 27.740 0.013 0.000 2.218 13 C HN 0.951 nan 8.230 nan 0.000 0.564 14 V N 2.837 122.759 119.914 0.013 0.000 2.788 14 V HA 0.326 4.447 4.120 0.001 0.000 0.307 14 V C 0.823 176.927 176.094 0.017 0.000 1.069 14 V CA 0.116 62.424 62.300 0.014 0.000 1.173 14 V CB -0.108 31.724 31.823 0.014 0.000 0.925 14 V HN 1.034 nan 8.190 nan 0.000 0.492 15 A N 4.152 126.983 122.820 0.017 0.000 2.309 15 A HA 0.601 4.922 4.320 0.001 0.000 0.290 15 A C 0.555 178.156 177.584 0.028 0.000 1.206 15 A CA -0.360 51.690 52.037 0.020 0.000 0.850 15 A CB -0.068 18.941 19.000 0.015 0.000 1.118 15 A HN 0.929 nan 8.150 nan 0.000 0.523 16 T N 1.344 115.920 114.554 0.037 0.000 2.862 16 T HA 0.348 4.699 4.350 0.001 0.000 0.276 16 T C 1.639 176.379 174.700 0.067 0.000 0.974 16 T CA -0.319 61.812 62.100 0.052 0.000 0.966 16 T CB 1.080 69.984 68.868 0.061 0.000 1.072 16 T HN 0.375 nan 8.240 nan 0.000 0.538 17 V N 0.244 120.219 119.914 0.101 0.000 2.490 17 V HA -0.145 3.976 4.120 0.001 0.000 0.250 17 V C 2.304 178.479 176.094 0.135 0.000 1.061 17 V CA 1.904 64.288 62.300 0.140 0.000 1.064 17 V CB -0.922 31.051 31.823 0.251 0.000 0.670 17 V HN 0.883 nan 8.190 nan 0.000 0.461 18 D N 0.673 121.162 120.400 0.148 0.000 2.149 18 D HA -0.190 4.450 4.640 0.001 0.000 0.198 18 D C 1.590 177.925 176.300 0.057 0.000 0.990 18 D CA 1.236 55.313 54.000 0.129 0.000 0.839 18 D CB -0.201 40.674 40.800 0.123 0.000 0.948 18 D HN 0.426 nan 8.370 nan 0.000 0.460 19 D N -0.631 119.797 120.400 0.046 0.000 2.352 19 D HA -0.024 4.617 4.640 0.001 0.000 0.232 19 D C 0.887 177.191 176.300 0.006 0.000 1.055 19 D CA 0.179 54.193 54.000 0.024 0.000 0.891 19 D CB 1.120 41.934 40.800 0.024 0.000 0.897 19 D HN 0.131 nan 8.370 nan 0.000 0.529 20 V N 0.134 120.045 119.914 -0.005 0.000 3.623 20 V HA 0.014 4.135 4.120 0.001 0.000 0.283 20 V C 1.142 177.197 176.094 -0.066 0.000 1.643 20 V CA -0.113 62.172 62.300 -0.026 0.000 1.121 20 V CB 0.656 32.469 31.823 -0.016 0.000 0.933 20 V HN -0.062 nan 8.190 nan 0.000 0.420 21 I N 0.777 121.283 120.570 -0.107 0.000 2.500 21 I HA -0.028 4.143 4.170 0.001 0.000 0.252 21 I C 2.045 178.024 176.117 -0.229 0.000 1.142 21 I CA 1.927 63.077 61.300 -0.250 0.000 1.451 21 I CB -0.121 37.602 38.000 -0.461 0.000 1.093 21 I HN 0.367 nan 8.210 nan 0.000 0.430 22 E N 0.120 120.234 120.200 -0.144 0.000 2.097 22 E HA -0.277 4.074 4.350 0.001 0.000 0.196 22 E C 2.060 178.627 176.600 -0.055 0.000 1.000 22 E CA 1.440 57.781 56.400 -0.098 0.000 0.804 22 E CB -0.214 29.453 29.700 -0.054 0.000 0.740 22 E HN 0.645 nan 8.360 nan 0.000 0.454 23 Q N 0.266 120.049 119.800 -0.028 0.000 2.016 23 Q HA -0.116 4.225 4.340 0.001 0.000 0.200 23 Q C 2.541 178.600 176.000 0.098 0.000 0.978 23 Q CA 1.226 57.053 55.803 0.040 0.000 0.833 23 Q CB -0.210 28.544 28.738 0.027 0.000 0.895 23 Q HN 0.207 nan 8.270 nan 0.000 0.427 24 V N 1.250 121.164 119.914 -0.000 0.000 2.407 24 V HA -0.287 3.834 4.120 0.001 0.000 0.248 24 V C 2.369 178.505 176.094 0.069 0.000 1.055 24 V CA 1.770 64.070 62.300 0.001 0.000 1.049 24 V CB -0.578 31.186 31.823 -0.098 0.000 0.662 24 V HN 0.320 nan 8.190 nan 0.000 0.455 25 M N 1.675 121.246 119.600 -0.048 0.000 2.143 25 M HA -0.195 4.285 4.480 0.001 0.000 0.258 25 M C 2.122 178.428 176.300 0.011 0.000 1.071 25 M CA 2.532 57.794 55.300 -0.064 0.000 1.088 25 M CB -0.870 31.652 32.600 -0.130 0.000 1.360 25 M HN 0.568 nan 8.290 nan 0.000 0.404 26 T N -2.667 111.908 114.554 0.035 0.000 3.215 26 T HA -0.050 4.301 4.350 0.001 0.000 0.254 26 T C 0.737 175.346 174.700 -0.152 0.000 1.149 26 T CA 0.584 62.650 62.100 -0.057 0.000 1.042 26 T CB -0.711 68.093 68.868 -0.107 0.000 0.966 26 T HN 0.493 nan 8.240 nan 0.000 0.534 27 Y N 0.508 120.783 120.300 -0.042 0.000 2.467 27 Y HA 0.500 5.051 4.550 0.001 0.000 0.250 27 Y C 0.654 176.540 175.900 -0.022 0.000 1.155 27 Y CA -1.350 56.733 58.100 -0.029 0.000 1.249 27 Y CB 0.285 38.730 38.460 -0.026 0.000 1.146 27 Y HN 0.281 nan 8.280 nan 0.000 0.524 28 I N 0.214 120.843 120.570 0.099 0.000 2.297 28 I HA 0.111 4.281 4.170 0.001 0.000 0.291 28 I C 1.195 177.323 176.117 0.018 0.000 1.033 28 I CA 0.051 61.386 61.300 0.058 0.000 1.253 28 I CB 1.443 39.474 38.000 0.052 0.000 1.396 28 I HN -0.012 nan 8.210 nan 0.000 0.476 29 T N 2.492 117.052 114.554 0.011 0.000 3.021 29 T HA -0.038 4.313 4.350 0.001 0.000 0.245 29 T C 0.808 175.500 174.700 -0.014 0.000 1.028 29 T CA 0.204 62.294 62.100 -0.016 0.000 1.139 29 T CB 0.014 68.867 68.868 -0.025 0.000 0.884 29 T HN 0.591 nan 8.240 nan 0.000 0.457 30 D N 2.316 122.718 120.400 0.003 0.000 2.502 30 D HA 0.046 4.687 4.640 0.001 0.000 0.249 30 D C -1.652 174.654 176.300 0.011 0.000 1.188 30 D CA -1.607 52.397 54.000 0.006 0.000 0.890 30 D CB 1.451 42.264 40.800 0.022 0.000 1.140 30 D HN 0.164 nan 8.370 nan 0.000 0.505 31 P HA -0.156 nan 4.420 nan 0.000 0.218 31 P C 0.938 178.262 177.300 0.040 0.000 1.146 31 P CA 1.175 64.280 63.100 0.009 0.000 0.813 31 P CB 0.290 31.987 31.700 -0.005 0.000 0.778 32 K N -0.966 119.459 120.400 0.042 0.000 2.400 32 K HA -0.006 4.314 4.320 0.001 0.000 0.194 32 K C 1.307 177.947 176.600 0.067 0.000 1.033 32 K CA 0.854 57.175 56.287 0.056 0.000 1.021 32 K CB -0.367 32.163 32.500 0.050 0.000 0.808 32 K HN -0.014 nan 8.250 nan 0.000 0.505 33 D N -0.527 119.912 120.400 0.065 0.000 2.277 33 D HA 0.016 4.656 4.640 0.001 0.000 0.209 33 D C 1.606 177.967 176.300 0.102 0.000 0.970 33 D CA 0.268 54.316 54.000 0.081 0.000 0.874 33 D CB 0.307 41.151 40.800 0.072 0.000 0.982 33 D HN -0.018 nan 8.370 nan 0.000 0.504 34 R N 1.083 121.635 120.500 0.088 0.000 2.083 34 R HA -0.124 4.217 4.340 0.001 0.000 0.237 34 R C 1.709 178.091 176.300 0.137 0.000 1.137 34 R CA 0.940 57.103 56.100 0.103 0.000 0.951 34 R CB -0.911 29.433 30.300 0.073 0.000 0.851 34 R HN 0.239 nan 8.270 nan 0.000 0.434 35 D N 0.191 120.665 120.400 0.123 0.000 2.149 35 D HA -0.142 4.499 4.640 0.001 0.000 0.194 35 D C 1.610 177.992 176.300 0.138 0.000 1.001 35 D CA 1.993 56.074 54.000 0.134 0.000 0.849 35 D CB 0.122 40.986 40.800 0.108 0.000 0.939 35 D HN 0.109 nan 8.370 nan 0.000 0.449 36 S N -0.663 115.113 115.700 0.127 0.000 2.362 36 S HA 0.021 4.491 4.470 0.001 0.000 0.221 36 S C 2.085 176.786 174.600 0.169 0.000 1.032 36 S CA 0.688 58.962 58.200 0.122 0.000 0.973 36 S CB -0.305 62.956 63.200 0.101 0.000 0.849 36 S HN 0.406 nan 8.310 nan 0.000 0.465 37 A N 2.105 125.057 122.820 0.220 0.000 2.024 37 A HA -0.127 4.194 4.320 0.001 0.000 0.220 37 A C 2.255 180.072 177.584 0.389 0.000 1.164 37 A CA 1.912 54.168 52.037 0.365 0.000 0.643 37 A CB -0.871 18.323 19.000 0.323 0.000 0.806 37 A HN 0.612 nan 8.150 nan 0.000 0.451 38 S N -1.003 114.868 115.700 0.284 0.000 2.481 38 S HA 0.123 4.593 4.470 0.001 0.000 0.231 38 S C 1.321 176.133 174.600 0.354 0.000 0.996 38 S CA 0.991 59.384 58.200 0.321 0.000 0.942 38 S CB -0.283 63.083 63.200 0.276 0.000 0.768 38 S HN 0.435 nan 8.310 nan 0.000 0.520 39 L N 1.521 122.881 121.223 0.229 0.000 2.693 39 L HA 0.303 4.644 4.340 0.001 0.000 0.235 39 L C 2.028 178.927 176.870 0.047 0.000 1.127 39 L CA 0.111 55.029 54.840 0.130 0.000 0.914 39 L CB 0.678 42.790 42.059 0.088 0.000 1.193 39 L HN 0.378 nan 8.230 nan 0.000 0.502 40 V N -2.306 117.622 119.914 0.024 0.000 2.951 40 V HA 0.058 4.178 4.120 0.001 0.000 0.255 40 V C 0.681 176.645 176.094 -0.218 0.000 1.088 40 V CA 0.586 62.777 62.300 -0.183 0.000 1.109 40 V CB -0.319 31.212 31.823 -0.487 0.000 0.724 40 V HN 0.552 nan 8.190 nan 0.000 0.471 41 C N -2.079 117.181 119.300 -0.066 0.000 3.056 41 C HA 0.418 4.879 4.460 0.001 0.000 0.336 41 C C 1.216 176.281 174.990 0.125 0.000 1.356 41 C CA -0.280 58.724 59.018 -0.023 0.000 1.216 41 C CB 0.908 28.582 27.740 -0.109 0.000 1.391 41 C HN 0.347 nan 8.230 nan 0.000 0.445 42 R N 0.183 120.741 120.500 0.097 0.000 2.075 42 R HA -0.031 4.310 4.340 0.001 0.000 0.232 42 R C 2.514 178.967 176.300 0.255 0.000 1.126 42 R CA 1.744 57.924 56.100 0.133 0.000 0.963 42 R CB -0.265 30.073 30.300 0.064 0.000 0.858 42 R HN 0.691 nan 8.270 nan 0.000 0.435 43 R N -0.142 120.514 120.500 0.259 0.000 2.075 43 R HA -0.148 4.193 4.340 0.001 0.000 0.232 43 R C 1.797 178.302 176.300 0.341 0.000 1.126 43 R CA 1.390 57.658 56.100 0.279 0.000 0.963 43 R CB -0.137 30.323 30.300 0.267 0.000 0.858 43 R HN 0.233 nan 8.270 nan 0.000 0.435 44 W N 0.083 121.447 121.300 0.106 0.000 2.342 44 W HA -0.192 4.468 4.660 0.001 0.000 0.297 44 W C 2.011 178.606 176.519 0.127 0.000 1.213 44 W CA 0.869 58.275 57.345 0.100 0.000 1.251 44 W CB -0.881 28.635 29.460 0.093 0.000 1.136 44 W HN 0.107 nan 8.180 nan 0.000 0.526 45 F N 1.431 121.533 119.950 0.253 0.000 2.113 45 F HA -0.170 4.357 4.527 0.001 0.000 0.297 45 F C 2.363 178.221 175.800 0.097 0.000 1.103 45 F CA 2.238 60.326 58.000 0.146 0.000 1.248 45 F CB -0.543 38.514 39.000 0.095 0.000 0.999 45 F HN -0.235 nan 8.300 nan 0.000 0.475 46 K N 0.510 121.009 120.400 0.164 0.000 2.057 46 K HA -0.130 4.191 4.320 0.001 0.000 0.207 46 K C 2.064 178.627 176.600 -0.062 0.000 1.049 46 K CA 1.878 58.170 56.287 0.008 0.000 0.931 46 K CB -0.301 32.274 32.500 0.126 0.000 0.714 46 K HN 0.393 nan 8.250 nan 0.000 0.440 47 I N 0.784 121.343 120.570 -0.019 0.000 2.315 47 I HA -0.249 3.922 4.170 0.001 0.000 0.248 47 I C 2.037 178.113 176.117 -0.068 0.000 1.117 47 I CA 1.500 62.766 61.300 -0.058 0.000 1.404 47 I CB -0.274 37.661 38.000 -0.109 0.000 1.071 47 I HN 0.317 nan 8.210 nan 0.000 0.419 48 D N 0.115 120.476 120.400 -0.065 0.000 2.117 48 D HA -0.230 4.410 4.640 0.001 0.000 0.198 48 D C 2.283 178.579 176.300 -0.005 0.000 0.982 48 D CA 1.519 55.503 54.000 -0.026 0.000 0.828 48 D CB 0.008 40.819 40.800 0.019 0.000 0.967 48 D HN 0.152 nan 8.370 nan 0.000 0.464 49 S N -0.485 115.110 115.700 -0.175 0.000 2.374 49 S HA -0.245 4.226 4.470 0.001 0.000 0.227 49 S C 1.799 176.417 174.600 0.030 0.000 1.037 49 S CA 1.607 59.705 58.200 -0.170 0.000 1.024 49 S CB -0.470 62.449 63.200 -0.467 0.000 0.861 49 S HN 0.396 nan 8.310 nan 0.000 0.456 50 E N -0.343 119.849 120.200 -0.015 0.000 2.478 50 E HA 0.031 4.382 4.350 0.001 0.000 0.194 50 E C 1.660 178.269 176.600 0.015 0.000 1.045 50 E CA 1.040 57.446 56.400 0.010 0.000 0.868 50 E CB 0.232 29.927 29.700 -0.007 0.000 0.885 50 E HN 0.842 nan 8.360 nan 0.000 0.505 51 T N -2.393 112.167 114.554 0.011 0.000 3.003 51 T HA 0.184 4.534 4.350 0.001 0.000 0.261 51 T C 0.810 175.495 174.700 -0.025 0.000 1.003 51 T CA -0.539 61.554 62.100 -0.013 0.000 0.917 51 T CB 0.222 69.071 68.868 -0.031 0.000 1.084 51 T HN -0.186 nan 8.240 nan 0.000 0.522 52 R N 1.890 122.384 120.500 -0.010 0.000 2.585 52 R HA 0.180 4.521 4.340 0.001 0.000 0.275 52 R C 0.976 177.188 176.300 -0.147 0.000 1.018 52 R CA 0.600 56.623 56.100 -0.129 0.000 1.072 52 R CB 0.239 30.327 30.300 -0.354 0.000 0.953 52 R HN 0.413 nan 8.270 nan 0.000 0.419 53 E N 0.980 121.097 120.200 -0.138 0.000 2.256 53 E HA 0.003 4.354 4.350 0.001 0.000 0.198 53 E C -0.206 176.340 176.600 -0.091 0.000 0.908 53 E CA 0.130 56.475 56.400 -0.092 0.000 0.915 53 E CB 0.237 29.904 29.700 -0.054 0.000 0.890 53 E HN 0.474 nan 8.360 nan 0.000 0.484 54 H N 0.617 119.566 119.070 -0.201 0.000 2.529 54 H HA 0.456 5.013 4.556 0.001 0.000 0.348 54 H C -1.464 173.715 175.328 -0.249 0.000 1.079 54 H CA -0.501 55.435 56.048 -0.186 0.000 1.198 54 H CB 1.236 30.919 29.762 -0.131 0.000 1.521 54 H HN -0.183 nan 8.280 nan 0.000 0.514 55 V N 4.290 123.973 119.914 -0.386 0.000 2.789 55 V HA 0.355 4.476 4.120 0.001 0.000 0.311 55 V C -0.235 175.736 176.094 -0.204 0.000 1.073 55 V CA -0.653 61.520 62.300 -0.212 0.000 0.921 55 V CB 2.245 33.912 31.823 -0.260 0.000 1.009 55 V HN 0.891 nan 8.190 nan 0.000 0.426 56 T N 5.402 119.950 114.554 -0.011 0.000 2.841 56 T HA 0.576 4.927 4.350 0.001 0.000 0.285 56 T C -0.455 174.220 174.700 -0.042 0.000 0.991 56 T CA -0.386 61.699 62.100 -0.025 0.000 0.966 56 T CB 1.205 70.105 68.868 0.052 0.000 0.962 56 T HN 0.484 nan 8.240 nan 0.000 0.438 57 M N 2.723 122.260 119.600 -0.104 0.000 2.066 57 M HA 0.409 4.889 4.480 0.001 0.000 0.340 57 M C 1.246 177.493 176.300 -0.089 0.000 1.053 57 M CA -0.810 54.444 55.300 -0.077 0.000 0.983 57 M CB 1.512 34.032 32.600 -0.134 0.000 1.520 57 M HN 0.807 nan 8.290 nan 0.000 0.428 58 A N 4.450 127.245 122.820 -0.042 0.000 2.015 58 A HA 0.112 4.433 4.320 0.001 0.000 0.219 58 A C 0.777 178.324 177.584 -0.062 0.000 1.163 58 A CA 1.042 53.033 52.037 -0.075 0.000 0.646 58 A CB 0.271 19.232 19.000 -0.066 0.000 0.806 58 A HN 0.732 nan 8.150 nan 0.000 0.448 59 L N -0.147 121.080 121.223 0.006 0.000 2.476 59 L HA 0.202 4.542 4.340 0.001 0.000 0.269 59 L C 0.921 177.801 176.870 0.016 0.000 0.965 59 L CA -0.691 54.175 54.840 0.042 0.000 0.845 59 L CB 1.884 44.029 42.059 0.143 0.000 1.259 59 L HN 0.468 nan 8.230 nan 0.000 0.403 60 C N 1.473 120.716 119.300 -0.095 0.000 2.448 60 C HA -0.043 4.418 4.460 0.001 0.000 0.280 60 C C 1.713 176.731 174.990 0.047 0.000 1.398 60 C CA 0.051 58.983 59.018 -0.145 0.000 1.774 60 C CB -1.314 26.212 27.740 -0.358 0.000 1.888 60 C HN 0.773 nan 8.230 nan 0.000 0.519 61 Y N 0.994 121.392 120.300 0.163 0.000 2.502 61 Y HA 0.065 4.616 4.550 0.001 0.000 0.295 61 Y C 2.719 178.776 175.900 0.262 0.000 1.193 61 Y CA 0.755 58.963 58.100 0.180 0.000 1.295 61 Y CB -0.324 38.164 38.460 0.048 0.000 1.059 61 Y HN 0.317 nan 8.280 nan 0.000 0.514 62 T N -0.268 114.501 114.554 0.359 0.000 3.023 62 T HA 0.338 4.688 4.350 0.001 0.000 0.266 62 T C 0.443 175.339 174.700 0.327 0.000 1.093 62 T CA 0.755 63.076 62.100 0.368 0.000 1.129 62 T CB -0.120 68.928 68.868 0.301 0.000 0.899 62 T HN 0.293 nan 8.240 nan 0.000 0.491 63 A N -0.119 122.898 122.820 0.329 0.000 2.608 63 A HA 0.579 4.899 4.320 0.001 0.000 0.292 63 A C -0.246 177.490 177.584 0.254 0.000 1.066 63 A CA -0.876 51.327 52.037 0.276 0.000 0.676 63 A CB 0.659 19.810 19.000 0.250 0.000 1.277 63 A HN 0.172 nan 8.150 nan 0.000 0.413 64 T N 2.117 116.747 114.554 0.127 0.000 2.946 64 T HA 0.313 4.664 4.350 0.001 0.000 0.311 64 T C -1.912 172.686 174.700 -0.170 0.000 1.063 64 T CA -0.226 61.854 62.100 -0.033 0.000 1.139 64 T CB 0.298 69.156 68.868 -0.016 0.000 0.994 64 T HN 0.396 nan 8.240 nan 0.000 0.547 65 P HA -0.005 nan 4.420 nan 0.000 0.229 65 P C 1.023 178.189 177.300 -0.223 0.000 1.160 65 P CA 0.508 63.130 63.100 -0.796 0.000 0.777 65 P CB 0.130 31.061 31.700 -1.281 0.000 0.814 66 D N -0.012 120.287 120.400 -0.169 0.000 2.117 66 D HA -0.179 4.461 4.640 0.001 0.000 0.198 66 D C 2.131 178.432 176.300 0.001 0.000 0.982 66 D CA 1.017 54.980 54.000 -0.061 0.000 0.828 66 D CB -0.292 40.475 40.800 -0.054 0.000 0.967 66 D HN -0.110 nan 8.370 nan 0.000 0.464 67 R N -0.463 120.049 120.500 0.020 0.000 2.091 67 R HA -0.151 4.190 4.340 0.001 0.000 0.238 67 R C 2.364 178.708 176.300 0.074 0.000 1.136 67 R CA 1.400 57.532 56.100 0.053 0.000 0.959 67 R CB -0.483 29.865 30.300 0.080 0.000 0.856 67 R HN 0.322 nan 8.270 nan 0.000 0.437 68 L N 0.607 121.916 121.223 0.143 0.000 2.017 68 L HA -0.140 4.200 4.340 0.001 0.000 0.208 68 L C 2.308 179.281 176.870 0.171 0.000 1.073 68 L CA 2.440 57.410 54.840 0.217 0.000 0.745 68 L CB -0.592 41.696 42.059 0.382 0.000 0.894 68 L HN 0.322 nan 8.230 nan 0.000 0.432 69 S N -0.532 115.250 115.700 0.137 0.000 2.447 69 S HA -0.242 4.228 4.470 0.001 0.000 0.233 69 S C 2.196 176.834 174.600 0.064 0.000 1.006 69 S CA 1.022 59.287 58.200 0.108 0.000 0.957 69 S CB -0.681 62.566 63.200 0.078 0.000 0.773 69 S HN 0.661 nan 8.310 nan 0.000 0.507 70 R N 1.054 121.575 120.500 0.035 0.000 2.075 70 R HA 0.128 4.469 4.340 0.001 0.000 0.226 70 R C 2.516 178.792 176.300 -0.038 0.000 1.114 70 R CA 1.075 57.181 56.100 0.010 0.000 0.972 70 R CB -0.255 30.054 30.300 0.015 0.000 0.869 70 R HN 0.405 nan 8.270 nan 0.000 0.437 71 R N -0.351 120.078 120.500 -0.118 0.000 2.119 71 R HA 0.035 4.375 4.340 0.001 0.000 0.222 71 R C -0.205 175.752 176.300 -0.571 0.000 1.088 71 R CA 1.300 57.166 56.100 -0.389 0.000 0.984 71 R CB 0.170 30.132 30.300 -0.562 0.000 0.884 71 R HN 0.269 nan 8.270 nan 0.000 0.447 72 F N -0.410 119.542 119.950 0.004 0.000 2.646 72 F HA 0.364 4.892 4.527 0.001 0.000 0.336 72 F C -1.858 173.940 175.800 -0.003 0.000 1.437 72 F CA -2.167 55.824 58.000 -0.016 0.000 1.142 72 F CB 2.027 41.024 39.000 -0.006 0.000 1.530 72 F HN -0.037 nan 8.300 nan 0.000 0.591 73 P HA -0.125 nan 4.420 nan 0.000 0.221 73 P C -0.013 177.332 177.300 0.075 0.000 1.145 73 P CA 1.544 64.695 63.100 0.085 0.000 0.795 73 P CB 0.119 31.848 31.700 0.050 0.000 0.775 74 N N -1.250 117.498 118.700 0.080 0.000 2.338 74 N HA 0.167 4.907 4.740 0.001 0.000 0.251 74 N C -0.240 175.280 175.510 0.017 0.000 1.199 74 N CA -0.346 52.727 53.050 0.039 0.000 0.879 74 N CB 0.053 38.555 38.487 0.026 0.000 1.159 74 N HN 0.047 nan 8.380 nan 0.000 0.514 75 L N 1.036 122.272 121.223 0.022 0.000 2.543 75 L HA -0.017 4.323 4.340 0.001 0.000 0.285 75 L C 1.399 178.243 176.870 -0.043 0.000 1.236 75 L CA 0.541 55.358 54.840 -0.038 0.000 0.871 75 L CB 0.547 42.585 42.059 -0.036 0.000 1.121 75 L HN 0.321 nan 8.230 nan 0.000 0.501 76 R N 0.785 121.245 120.500 -0.066 0.000 2.287 76 R HA 0.182 4.522 4.340 0.001 0.000 0.197 76 R C 0.211 176.466 176.300 -0.076 0.000 0.900 76 R CA 0.172 56.239 56.100 -0.055 0.000 1.052 76 R CB 0.700 30.975 30.300 -0.042 0.000 1.117 76 R HN 0.546 nan 8.270 nan 0.000 0.568 77 S N 0.665 116.292 115.700 -0.122 0.000 2.536 77 S HA 0.642 5.113 4.470 0.001 0.000 0.287 77 S C -1.703 172.655 174.600 -0.403 0.000 1.101 77 S CA -0.623 57.465 58.200 -0.188 0.000 0.950 77 S CB 1.105 64.282 63.200 -0.039 0.000 1.056 77 S HN 0.072 nan 8.310 nan 0.000 0.481 78 L N 3.648 124.649 121.223 -0.370 0.000 2.409 78 L HA 0.747 5.088 4.340 0.001 0.000 0.262 78 L C -1.334 175.339 176.870 -0.327 0.000 0.992 78 L CA -0.274 54.333 54.840 -0.388 0.000 0.817 78 L CB 1.964 43.900 42.059 -0.204 0.000 1.350 78 L HN 0.731 nan 8.230 nan 0.000 0.411 79 K N 5.016 125.229 120.400 -0.312 0.000 2.601 79 K HA 0.636 4.956 4.320 0.001 0.000 0.249 79 K C -2.193 174.268 176.600 -0.233 0.000 0.966 79 K CA -0.493 55.654 56.287 -0.233 0.000 0.827 79 K CB 1.162 33.542 32.500 -0.199 0.000 1.178 79 K HN 0.719 nan 8.250 nan 0.000 0.437 80 L N 4.261 125.375 121.223 -0.182 0.000 2.362 80 L HA 0.532 4.872 4.340 0.001 0.000 0.275 80 L C -0.561 176.208 176.870 -0.168 0.000 0.998 80 L CA -0.989 53.705 54.840 -0.244 0.000 0.820 80 L CB 2.020 43.854 42.059 -0.376 0.000 1.270 80 L HN 0.498 nan 8.230 nan 0.000 0.415 81 K N 1.207 121.497 120.400 -0.184 0.000 2.164 81 K HA 0.625 4.945 4.320 0.001 0.000 0.258 81 K C 0.284 176.820 176.600 -0.106 0.000 0.951 81 K CA -0.519 55.688 56.287 -0.133 0.000 0.844 81 K CB 2.581 34.993 32.500 -0.146 0.000 1.099 81 K HN 0.733 nan 8.250 nan 0.000 0.435 82 G N 1.935 110.706 108.800 -0.048 0.000 2.583 82 G HA2 0.093 4.053 3.960 0.001 0.000 0.214 82 G HA3 0.093 4.053 3.960 0.001 0.000 0.214 82 G C -0.472 174.520 174.900 0.152 0.000 2.072 82 G CA -0.321 44.814 45.100 0.058 0.000 0.745 82 G HN 0.398 nan 8.290 nan 0.000 0.762 83 K N 1.779 122.241 120.400 0.103 0.000 2.527 83 K HA 0.166 4.487 4.320 0.001 0.000 0.278 83 K C -2.274 174.160 176.600 -0.276 0.000 0.981 83 K CA -0.896 55.255 56.287 -0.226 0.000 1.009 83 K CB 0.559 32.955 32.500 -0.173 0.000 0.895 83 K HN 0.112 nan 8.250 nan 0.000 0.493 84 P HA 0.029 nan 4.420 nan 0.000 0.271 84 P C 0.241 177.363 177.300 -0.296 0.000 1.233 84 P CA -0.171 62.776 63.100 -0.254 0.000 0.789 84 P CB 0.516 32.022 31.700 -0.323 0.000 0.951 85 R N 1.225 121.578 120.500 -0.245 0.000 2.139 85 R HA -0.207 4.133 4.340 0.001 0.000 0.243 85 R C 2.042 178.255 176.300 -0.145 0.000 1.145 85 R CA 1.922 57.917 56.100 -0.175 0.000 0.976 85 R CB -0.949 29.290 30.300 -0.101 0.000 0.866 85 R HN 0.539 nan 8.270 nan 0.000 0.449 86 A N 0.871 123.446 122.820 -0.408 0.000 2.024 86 A HA -0.149 4.172 4.320 0.001 0.000 0.220 86 A C 2.301 179.780 177.584 -0.176 0.000 1.164 86 A CA 1.609 53.397 52.037 -0.416 0.000 0.643 86 A CB -0.535 17.693 19.000 -1.286 0.000 0.806 86 A HN 0.432 nan 8.150 nan 0.000 0.451 87 A N -0.509 122.158 122.820 -0.254 0.000 1.978 87 A HA -0.149 4.172 4.320 0.001 0.000 0.220 87 A C 2.074 179.572 177.584 -0.143 0.000 1.170 87 A CA 1.720 53.650 52.037 -0.178 0.000 0.636 87 A CB -0.562 18.319 19.000 -0.199 0.000 0.810 87 A HN 0.549 nan 8.150 nan 0.000 0.448 88 M N -1.683 117.800 119.600 -0.195 0.000 2.686 88 M HA 0.041 4.522 4.480 0.001 0.000 0.246 88 M C -0.144 175.760 176.300 -0.659 0.000 1.096 88 M CA 0.821 55.875 55.300 -0.410 0.000 1.076 88 M CB -0.050 32.239 32.600 -0.519 0.000 1.504 88 M HN 0.451 nan 8.290 nan 0.000 0.524 89 F N -0.215 119.690 119.950 -0.075 0.000 2.814 89 F HA 0.302 4.829 4.527 0.001 0.000 0.326 89 F C 0.274 176.067 175.800 -0.012 0.000 1.159 89 F CA -0.806 57.175 58.000 -0.033 0.000 1.234 89 F CB -0.115 38.872 39.000 -0.021 0.000 1.016 89 F HN 0.085 nan 8.300 nan 0.000 0.510 90 N N 1.775 120.508 118.700 0.055 0.000 2.705 90 N HA -0.210 4.531 4.740 0.001 0.000 0.255 90 N C 0.462 176.014 175.510 0.071 0.000 1.008 90 N CA 0.640 53.714 53.050 0.041 0.000 0.742 90 N CB -1.145 37.371 38.487 0.047 0.000 0.906 90 N HN 0.469 nan 8.380 nan 0.000 0.541 91 L N -1.017 120.250 121.223 0.073 0.000 2.749 91 L HA 0.286 4.626 4.340 0.001 0.000 0.242 91 L C 0.463 177.437 176.870 0.173 0.000 1.103 91 L CA 0.201 55.124 54.840 0.138 0.000 0.906 91 L CB 0.383 42.550 42.059 0.180 0.000 1.228 91 L HN 0.114 nan 8.230 nan 0.000 0.517 92 I N 1.249 121.837 120.570 0.030 0.000 2.354 92 I HA 0.352 4.522 4.170 0.001 0.000 0.292 92 I C -2.131 174.002 176.117 0.026 0.000 0.989 92 I CA -2.524 58.783 61.300 0.011 0.000 1.188 92 I CB 1.321 39.207 38.000 -0.190 0.000 1.342 92 I HN -0.287 nan 8.210 nan 0.000 0.457 93 P HA -0.045 nan 4.420 nan 0.000 0.266 93 P C 0.729 178.097 177.300 0.114 0.000 1.186 93 P CA 0.256 63.412 63.100 0.094 0.000 0.767 93 P CB 0.927 32.719 31.700 0.153 0.000 0.820 94 E N 3.177 123.424 120.200 0.079 0.000 2.072 94 E HA -0.207 4.143 4.350 0.001 0.000 0.191 94 E C 1.155 177.819 176.600 0.105 0.000 0.985 94 E CA 1.708 58.150 56.400 0.071 0.000 0.801 94 E CB -0.737 28.986 29.700 0.039 0.000 0.750 94 E HN 0.423 nan 8.360 nan 0.000 0.452 95 N N -0.264 118.509 118.700 0.122 0.000 2.515 95 N HA -0.103 4.638 4.740 0.001 0.000 0.191 95 N C 1.294 176.883 175.510 0.132 0.000 1.182 95 N CA 0.539 53.666 53.050 0.128 0.000 0.879 95 N CB -1.094 37.467 38.487 0.124 0.000 0.984 95 N HN 0.369 nan 8.380 nan 0.000 0.453 96 W N 1.440 122.735 121.300 -0.008 0.000 2.335 96 W HA 0.063 4.724 4.660 0.001 0.000 0.311 96 W C 0.707 177.220 176.519 -0.010 0.000 1.213 96 W CA 2.274 59.623 57.345 0.008 0.000 1.274 96 W CB -0.142 29.333 29.460 0.025 0.000 1.148 96 W HN 0.254 nan 8.180 nan 0.000 0.498 97 G N -3.354 105.374 108.800 -0.120 0.000 2.345 97 G HA2 0.394 4.354 3.960 0.001 0.000 0.285 97 G HA3 0.394 4.354 3.960 0.001 0.000 0.285 97 G C 0.203 175.001 174.900 -0.170 0.000 1.297 97 G CA -0.069 44.762 45.100 -0.449 0.000 0.875 97 G HN 0.999 nan 8.290 nan 0.000 0.506 98 G N -1.829 106.925 108.800 -0.077 0.000 2.138 98 G HA2 -0.059 3.902 3.960 0.001 0.000 0.193 98 G HA3 -0.059 3.902 3.960 0.001 0.000 0.193 98 G C 0.263 175.063 174.900 -0.166 0.000 0.998 98 G CA 0.340 45.389 45.100 -0.085 0.000 0.668 98 G HN 1.334 nan 8.290 nan 0.000 0.516 99 Y N -0.749 119.572 120.300 0.035 0.000 2.610 99 Y HA 0.303 4.854 4.550 0.001 0.000 0.332 99 Y C 1.560 177.453 175.900 -0.012 0.000 1.201 99 Y CA 0.723 58.827 58.100 0.008 0.000 1.465 99 Y CB 1.401 39.880 38.460 0.031 0.000 1.283 99 Y HN 0.006 nan 8.280 nan 0.000 0.563 100 V N 2.388 122.338 119.914 0.060 0.000 3.644 100 V HA -0.137 3.984 4.120 0.001 0.000 0.267 100 V C 1.836 177.967 176.094 0.062 0.000 1.277 100 V CA 1.434 63.681 62.300 -0.089 0.000 1.096 100 V CB -0.428 31.022 31.823 -0.621 0.000 0.828 100 V HN 1.116 nan 8.190 nan 0.000 0.446 101 T N -0.492 114.102 114.554 0.066 0.000 2.665 101 T HA -0.137 4.214 4.350 0.001 0.000 0.268 101 T C -0.057 174.653 174.700 0.016 0.000 1.035 101 T CA 1.872 63.993 62.100 0.036 0.000 1.151 101 T CB -1.945 66.928 68.868 0.009 0.000 0.862 101 T HN 0.445 nan 8.240 nan 0.000 0.438 102 P HA -0.015 nan 4.420 nan 0.000 0.219 102 P C 0.731 177.875 177.300 -0.259 0.000 1.146 102 P CA 0.983 63.966 63.100 -0.195 0.000 0.808 102 P CB -0.330 31.171 31.700 -0.330 0.000 0.779 103 W N -0.483 120.803 121.300 -0.024 0.000 2.494 103 W HA -0.024 4.637 4.660 0.001 0.000 0.286 103 W C 2.349 178.889 176.519 0.036 0.000 1.218 103 W CA 0.628 57.976 57.345 0.004 0.000 1.313 103 W CB -1.045 28.408 29.460 -0.012 0.000 1.105 103 W HN -0.211 nan 8.180 nan 0.000 0.561 104 V N -0.399 119.656 119.914 0.235 0.000 2.453 104 V HA -0.198 3.923 4.120 0.001 0.000 0.247 104 V C 2.059 178.207 176.094 0.091 0.000 1.048 104 V CA 2.439 64.843 62.300 0.173 0.000 1.049 104 V CB -1.424 30.484 31.823 0.140 0.000 0.672 104 V HN 0.238 nan 8.190 nan 0.000 0.457 105 T N -2.104 112.476 114.554 0.042 0.000 3.007 105 T HA -0.132 4.218 4.350 0.001 0.000 0.270 105 T C 1.677 176.379 174.700 0.004 0.000 1.107 105 T CA 1.639 63.744 62.100 0.008 0.000 1.118 105 T CB -0.336 68.520 68.868 -0.019 0.000 0.889 105 T HN 0.610 nan 8.240 nan 0.000 0.506 106 E N 1.144 121.353 120.200 0.015 0.000 2.086 106 E HA 0.169 4.519 4.350 0.001 0.000 0.190 106 E C 1.916 178.554 176.600 0.063 0.000 0.975 106 E CA 0.541 56.950 56.400 0.015 0.000 0.813 106 E CB -0.486 29.203 29.700 -0.018 0.000 0.768 106 E HN 0.620 nan 8.360 nan 0.000 0.457 107 I N 0.128 120.762 120.570 0.108 0.000 2.286 107 I HA -0.236 3.935 4.170 0.001 0.000 0.248 107 I C 2.407 178.558 176.117 0.057 0.000 1.115 107 I CA 1.158 62.517 61.300 0.099 0.000 1.392 107 I CB -0.310 37.765 38.000 0.124 0.000 1.065 107 I HN 0.125 nan 8.210 nan 0.000 0.418 108 S N 0.683 116.411 115.700 0.046 0.000 2.383 108 S HA -0.195 4.276 4.470 0.001 0.000 0.229 108 S C 1.633 176.242 174.600 0.015 0.000 1.030 108 S CA 2.053 60.266 58.200 0.023 0.000 1.002 108 S CB -0.370 62.838 63.200 0.014 0.000 0.829 108 S HN 0.537 nan 8.310 nan 0.000 0.467 109 N N -0.639 118.072 118.700 0.017 0.000 2.407 109 N HA 0.192 4.933 4.740 0.001 0.000 0.182 109 N C 0.642 176.161 175.510 0.016 0.000 1.079 109 N CA 0.330 53.386 53.050 0.010 0.000 0.882 109 N CB 0.254 38.742 38.487 0.002 0.000 1.106 109 N HN 0.286 nan 8.380 nan 0.000 0.461 110 N N -0.016 118.699 118.700 0.026 0.000 2.129 110 N HA 0.190 4.930 4.740 0.001 0.000 0.222 110 N C -0.308 175.228 175.510 0.043 0.000 1.303 110 N CA 0.161 53.229 53.050 0.031 0.000 0.897 110 N CB 1.312 39.817 38.487 0.030 0.000 1.093 110 N HN 0.054 nan 8.380 nan 0.000 0.501 111 L N 1.304 122.556 121.223 0.049 0.000 3.048 111 L HA 0.360 4.701 4.340 0.001 0.000 0.234 111 L C 0.947 177.835 176.870 0.030 0.000 1.318 111 L CA -0.184 54.686 54.840 0.050 0.000 1.109 111 L CB 0.407 42.507 42.059 0.068 0.000 1.480 111 L HN -0.291 nan 8.230 nan 0.000 0.495 112 R N 0.102 120.615 120.500 0.023 0.000 2.395 112 R HA -0.144 4.197 4.340 0.001 0.000 0.203 112 R C 1.577 177.881 176.300 0.007 0.000 1.076 112 R CA 0.674 56.782 56.100 0.013 0.000 1.059 112 R CB -0.252 30.055 30.300 0.012 0.000 0.860 112 R HN 0.377 nan 8.270 nan 0.000 0.476 113 Q N -1.081 118.723 119.800 0.006 0.000 2.164 113 Q HA 0.203 4.543 4.340 0.001 0.000 0.226 113 Q C -0.732 175.261 176.000 -0.012 0.000 0.813 113 Q CA -0.194 55.607 55.803 -0.003 0.000 0.978 113 Q CB 0.567 29.305 28.738 -0.001 0.000 1.149 113 Q HN 0.108 nan 8.270 nan 0.000 0.489 114 L N 1.954 123.171 121.223 -0.011 0.000 2.462 114 L HA 0.085 4.425 4.340 0.001 0.000 0.272 114 L C 0.738 177.588 176.870 -0.034 0.000 1.166 114 L CA 0.976 55.800 54.840 -0.027 0.000 0.880 114 L CB 0.683 42.730 42.059 -0.020 0.000 1.142 114 L HN 0.216 nan 8.230 nan 0.000 0.473 115 K N 1.204 121.577 120.400 -0.046 0.000 2.412 115 K HA 0.250 4.571 4.320 0.001 0.000 0.202 115 K C 0.188 176.751 176.600 -0.062 0.000 1.102 115 K CA -0.106 56.154 56.287 -0.045 0.000 1.027 115 K CB 0.568 33.047 32.500 -0.035 0.000 0.931 115 K HN 0.417 nan 8.250 nan 0.000 0.557 116 S N 0.787 116.439 115.700 -0.081 0.000 2.575 116 S HA 0.510 4.981 4.470 0.001 0.000 0.278 116 S C -1.422 173.084 174.600 -0.156 0.000 1.139 116 S CA -0.542 57.597 58.200 -0.102 0.000 0.954 116 S CB 1.878 65.038 63.200 -0.066 0.000 1.054 116 S HN 0.041 nan 8.310 nan 0.000 0.483 117 V N 5.145 124.925 119.914 -0.223 0.000 2.577 117 V HA 0.503 4.624 4.120 0.001 0.000 0.303 117 V C -0.749 175.086 176.094 -0.432 0.000 1.042 117 V CA -0.676 61.398 62.300 -0.376 0.000 0.872 117 V CB 1.690 33.198 31.823 -0.526 0.000 0.998 117 V HN 1.010 nan 8.190 nan 0.000 0.423 118 H N 4.771 123.533 119.070 -0.513 0.000 2.860 118 H HA 0.589 5.146 4.556 0.001 0.000 0.312 118 H C -1.634 173.521 175.328 -0.289 0.000 0.995 118 H CA -0.725 55.105 56.048 -0.362 0.000 1.311 118 H CB 0.803 30.462 29.762 -0.172 0.000 1.478 118 H HN 0.485 nan 8.280 nan 0.000 0.508 119 F N 3.628 123.690 119.950 0.186 0.000 2.420 119 F HA 0.404 4.932 4.527 0.001 0.000 0.342 119 F C 0.326 176.206 175.800 0.134 0.000 1.113 119 F CA -0.823 57.209 58.000 0.055 0.000 1.059 119 F CB 1.403 40.392 39.000 -0.018 0.000 1.128 119 F HN 0.461 nan 8.300 nan 0.000 0.475 120 R N 2.910 123.531 120.500 0.200 0.000 2.451 120 R HA 0.493 4.834 4.340 0.001 0.000 0.307 120 R C -0.276 176.044 176.300 0.034 0.000 0.965 120 R CA -0.641 55.522 56.100 0.105 0.000 0.865 120 R CB 0.652 30.931 30.300 -0.034 0.000 1.174 120 R HN 0.736 nan 8.270 nan 0.000 0.455 121 R N 3.364 123.888 120.500 0.041 0.000 3.264 121 R HA -0.206 4.135 4.340 0.001 0.000 0.251 121 R C -0.540 175.770 176.300 0.016 0.000 0.971 121 R CA 0.966 57.071 56.100 0.008 0.000 0.658 121 R CB -1.335 28.938 30.300 -0.044 0.000 1.095 121 R HN 0.584 nan 8.270 nan 0.000 0.443 122 M N 0.396 120.013 119.600 0.028 0.000 2.819 122 M HA 0.540 5.020 4.480 0.001 0.000 0.300 122 M C 0.186 176.481 176.300 -0.009 0.000 1.237 122 M CA -1.132 54.154 55.300 -0.023 0.000 0.813 122 M CB 1.636 34.165 32.600 -0.118 0.000 1.755 122 M HN -0.033 nan 8.290 nan 0.000 0.484 123 I N 2.560 123.095 120.570 -0.060 0.000 2.337 123 I HA 0.322 4.493 4.170 0.001 0.000 0.285 123 I C -0.752 175.398 176.117 0.054 0.000 1.041 123 I CA -0.537 60.770 61.300 0.012 0.000 1.199 123 I CB 0.563 38.530 38.000 -0.055 0.000 1.370 123 I HN 0.240 nan 8.210 nan 0.000 0.470 124 V N 5.698 125.682 119.914 0.117 0.000 2.370 124 V HA 0.307 4.427 4.120 0.001 0.000 0.283 124 V C 0.699 176.920 176.094 0.211 0.000 1.023 124 V CA -0.392 61.959 62.300 0.086 0.000 0.857 124 V CB 1.583 33.410 31.823 0.007 0.000 0.985 124 V HN 0.892 nan 8.190 nan 0.000 0.443 125 S N 2.303 118.090 115.700 0.145 0.000 2.693 125 S HA 0.314 4.784 4.470 0.001 0.000 0.276 125 S C 0.696 175.377 174.600 0.135 0.000 1.192 125 S CA -0.532 57.762 58.200 0.156 0.000 0.994 125 S CB 1.491 64.756 63.200 0.108 0.000 1.012 125 S HN 0.609 nan 8.310 nan 0.000 0.550 126 D N 0.202 120.683 120.400 0.135 0.000 2.097 126 D HA -0.086 4.554 4.640 0.001 0.000 0.195 126 D C 1.773 178.110 176.300 0.062 0.000 0.989 126 D CA 1.165 55.228 54.000 0.105 0.000 0.827 126 D CB -0.452 40.405 40.800 0.094 0.000 0.966 126 D HN 0.492 nan 8.370 nan 0.000 0.456 127 L N 1.290 122.543 121.223 0.051 0.000 2.012 127 L HA -0.208 4.132 4.340 0.001 0.000 0.210 127 L C 1.425 178.309 176.870 0.023 0.000 1.073 127 L CA 2.150 57.008 54.840 0.030 0.000 0.748 127 L CB -0.665 41.406 42.059 0.021 0.000 0.891 127 L HN 0.004 nan 8.230 nan 0.000 0.431 128 D N -0.656 119.762 120.400 0.029 0.000 2.269 128 D HA -0.201 4.440 4.640 0.001 0.000 0.208 128 D C 2.048 178.366 176.300 0.030 0.000 0.963 128 D CA 1.506 55.522 54.000 0.026 0.000 0.864 128 D CB -0.693 40.122 40.800 0.025 0.000 0.936 128 D HN 0.593 nan 8.370 nan 0.000 0.505 129 L N -1.540 119.695 121.223 0.021 0.000 2.375 129 L HA 0.237 4.577 4.340 0.001 0.000 0.215 129 L C 1.669 178.537 176.870 -0.003 0.000 1.108 129 L CA 1.110 55.954 54.840 0.007 0.000 0.830 129 L CB -0.400 41.631 42.059 -0.046 0.000 0.959 129 L HN -0.188 nan 8.230 nan 0.000 0.457 130 D N 0.793 121.195 120.400 0.003 0.000 2.117 130 D HA -0.211 4.429 4.640 0.001 0.000 0.197 130 D C 2.322 178.590 176.300 -0.053 0.000 0.987 130 D CA 1.394 55.387 54.000 -0.011 0.000 0.829 130 D CB 0.102 40.907 40.800 0.008 0.000 0.961 130 D HN 0.217 nan 8.370 nan 0.000 0.460 131 R N -0.041 120.442 120.500 -0.027 0.000 2.091 131 R HA -0.117 4.223 4.340 0.001 0.000 0.238 131 R C 2.481 178.765 176.300 -0.028 0.000 1.136 131 R CA 0.815 56.898 56.100 -0.029 0.000 0.959 131 R CB -0.637 29.660 30.300 -0.004 0.000 0.856 131 R HN 0.358 nan 8.270 nan 0.000 0.437 132 L N 0.298 121.521 121.223 -0.001 0.000 1.976 132 L HA -0.206 4.135 4.340 0.001 0.000 0.209 132 L C 2.514 179.368 176.870 -0.026 0.000 1.071 132 L CA 1.612 56.459 54.840 0.012 0.000 0.746 132 L CB -0.627 41.460 42.059 0.047 0.000 0.890 132 L HN 0.216 nan 8.230 nan 0.000 0.432 133 A N 0.200 122.996 122.820 -0.040 0.000 1.869 133 A HA -0.322 3.998 4.320 0.001 0.000 0.218 133 A C 2.224 179.724 177.584 -0.139 0.000 1.203 133 A CA 2.509 54.515 52.037 -0.051 0.000 0.638 133 A CB -0.654 18.344 19.000 -0.004 0.000 0.831 133 A HN 0.471 nan 8.150 nan 0.000 0.450 134 K N -0.694 119.546 120.400 -0.267 0.000 2.097 134 K HA -0.023 4.298 4.320 0.001 0.000 0.206 134 K C 2.230 178.749 176.600 -0.134 0.000 1.049 134 K CA 1.116 57.213 56.287 -0.317 0.000 0.933 134 K CB -0.299 32.005 32.500 -0.326 0.000 0.717 134 K HN 0.476 nan 8.250 nan 0.000 0.442 135 A N 0.795 123.566 122.820 -0.083 0.000 2.014 135 A HA -0.063 4.258 4.320 0.001 0.000 0.218 135 A C 2.024 179.594 177.584 -0.023 0.000 1.163 135 A CA 1.245 53.259 52.037 -0.039 0.000 0.652 135 A CB -0.055 18.933 19.000 -0.019 0.000 0.808 135 A HN 0.065 nan 8.150 nan 0.000 0.449 136 R N -2.176 118.311 120.500 -0.023 0.000 2.225 136 R HA 0.478 4.818 4.340 0.001 0.000 0.194 136 R C 1.257 177.553 176.300 -0.007 0.000 0.949 136 R CA 1.049 57.142 56.100 -0.012 0.000 1.088 136 R CB -0.386 29.907 30.300 -0.012 0.000 1.106 136 R HN 0.610 nan 8.270 nan 0.000 0.566 137 A N 0.839 123.658 122.820 -0.003 0.000 5.481 137 A HA -0.388 3.932 4.320 0.001 0.000 0.318 137 A C 1.128 178.725 177.584 0.022 0.000 1.837 137 A CA 1.794 53.847 52.037 0.027 0.000 0.717 137 A CB -1.725 17.295 19.000 0.033 0.000 1.349 137 A HN 0.407 nan 8.150 nan 0.000 0.388 138 D N -0.283 120.131 120.400 0.023 0.000 2.228 138 D HA -0.064 4.577 4.640 0.001 0.000 0.203 138 D C 1.253 177.556 176.300 0.004 0.000 0.988 138 D CA 1.575 55.583 54.000 0.014 0.000 0.864 138 D CB -0.428 40.379 40.800 0.013 0.000 0.928 138 D HN 0.503 nan 8.370 nan 0.000 0.469 139 D N -0.391 120.009 120.400 -0.000 0.000 2.310 139 D HA -0.059 4.582 4.640 0.001 0.000 0.212 139 D C 0.538 176.828 176.300 -0.016 0.000 0.965 139 D CA 0.085 54.080 54.000 -0.008 0.000 0.879 139 D CB -0.053 40.742 40.800 -0.009 0.000 0.921 139 D HN 0.161 nan 8.370 nan 0.000 0.510 140 L N 1.411 122.624 121.223 -0.016 0.000 2.363 140 L HA 0.086 4.427 4.340 0.001 0.000 0.286 140 L C 1.085 177.937 176.870 -0.029 0.000 1.106 140 L CA 0.262 55.084 54.840 -0.030 0.000 0.859 140 L CB 0.361 42.401 42.059 -0.032 0.000 1.223 140 L HN -0.138 nan 8.230 nan 0.000 0.446 141 E N 1.317 121.497 120.200 -0.034 0.000 2.122 141 E HA -0.002 4.348 4.350 0.001 0.000 0.190 141 E C 0.228 176.803 176.600 -0.042 0.000 0.977 141 E CA 0.802 57.183 56.400 -0.031 0.000 0.820 141 E CB 0.350 30.033 29.700 -0.028 0.000 0.770 141 E HN 0.628 nan 8.360 nan 0.000 0.462 142 T N -0.033 114.485 114.554 -0.061 0.000 2.886 142 T HA 0.486 4.837 4.350 0.001 0.000 0.292 142 T C -1.732 172.895 174.700 -0.123 0.000 1.012 142 T CA -0.893 61.158 62.100 -0.081 0.000 0.982 142 T CB 1.393 70.216 68.868 -0.076 0.000 1.018 142 T HN -0.029 nan 8.240 nan 0.000 0.451 143 L N 3.929 125.067 121.223 -0.141 0.000 2.404 143 L HA 0.663 5.004 4.340 0.001 0.000 0.272 143 L C -1.072 175.664 176.870 -0.223 0.000 0.980 143 L CA -0.329 54.390 54.840 -0.201 0.000 0.836 143 L CB 1.523 43.480 42.059 -0.171 0.000 1.238 143 L HN 0.719 nan 8.230 nan 0.000 0.408 144 K N 6.802 127.019 120.400 -0.303 0.000 2.464 144 K HA 0.465 4.785 4.320 0.001 0.000 0.252 144 K C -1.038 175.414 176.600 -0.247 0.000 1.000 144 K CA -0.456 55.628 56.287 -0.338 0.000 0.951 144 K CB 1.319 33.425 32.500 -0.657 0.000 1.183 144 K HN 0.587 nan 8.250 nan 0.000 0.445 145 L N 3.150 124.290 121.223 -0.140 0.000 2.389 145 L HA 0.139 4.479 4.340 0.001 0.000 0.265 145 L C -0.008 176.900 176.870 0.063 0.000 1.167 145 L CA -0.456 54.377 54.840 -0.013 0.000 1.045 145 L CB -0.200 41.797 42.059 -0.103 0.000 1.351 145 L HN 0.476 nan 8.230 nan 0.000 0.419 146 D N 4.439 124.890 120.400 0.086 0.000 2.365 146 D HA 0.117 4.757 4.640 0.001 0.000 0.237 146 D C 0.412 176.783 176.300 0.118 0.000 1.190 146 D CA -0.237 53.821 54.000 0.097 0.000 0.867 146 D CB 0.538 41.451 40.800 0.188 0.000 1.050 146 D HN 0.318 nan 8.370 nan 0.000 0.491 147 K N 1.424 121.884 120.400 0.101 0.000 3.069 147 K HA -0.175 4.145 4.320 0.001 0.000 0.267 147 K C -0.212 176.444 176.600 0.093 0.000 1.082 147 K CA 0.368 56.696 56.287 0.068 0.000 0.782 147 K CB -2.323 30.186 32.500 0.014 0.000 1.230 147 K HN 0.403 nan 8.250 nan 0.000 0.488 148 C N 0.344 119.750 119.300 0.175 0.000 2.328 148 C HA 0.686 5.147 4.460 0.001 0.000 0.378 148 C C 1.207 176.340 174.990 0.238 0.000 1.249 148 C CA -0.101 59.045 59.018 0.213 0.000 2.204 148 C CB 1.414 29.322 27.740 0.279 0.000 2.218 148 C HN 0.623 nan 8.230 nan 0.000 0.564 149 S N -1.071 114.752 115.700 0.205 0.000 2.697 149 S HA 0.783 5.253 4.470 0.001 0.000 0.289 149 S C 0.158 174.854 174.600 0.161 0.000 1.149 149 S CA 0.298 58.554 58.200 0.094 0.000 0.850 149 S CB 1.187 64.398 63.200 0.019 0.000 1.151 149 S HN 2.378 nan 8.310 nan 0.000 0.491 150 G N -0.149 108.672 108.800 0.034 0.000 2.175 150 G HA2 -0.145 3.816 3.960 0.001 0.000 0.244 150 G HA3 -0.145 3.816 3.960 0.001 0.000 0.244 150 G C -0.183 174.814 174.900 0.161 0.000 0.982 150 G CA 0.384 45.545 45.100 0.101 0.000 0.641 150 G HN 1.549 nan 8.290 nan 0.000 0.527 151 F N 0.156 120.150 119.950 0.073 0.000 2.697 151 F HA 0.948 5.476 4.527 0.001 0.000 0.386 151 F C 0.356 176.204 175.800 0.079 0.000 1.154 151 F CA -0.367 57.665 58.000 0.053 0.000 1.108 151 F CB 1.149 40.157 39.000 0.013 0.000 1.429 151 F HN 0.538 nan 8.300 nan 0.000 0.509 152 T N -4.132 110.561 114.554 0.232 0.000 2.787 152 T HA 0.284 4.635 4.350 0.001 0.000 0.297 152 T C 0.623 175.396 174.700 0.122 0.000 1.221 152 T CA -0.038 62.133 62.100 0.118 0.000 1.006 152 T CB 0.800 69.722 68.868 0.089 0.000 1.328 152 T HN 1.035 nan 8.240 nan 0.000 0.509 153 T N -1.453 113.148 114.554 0.080 0.000 2.946 153 T HA -0.083 4.267 4.350 0.001 0.000 0.271 153 T C 1.072 175.821 174.700 0.082 0.000 1.104 153 T CA 1.596 63.721 62.100 0.042 0.000 1.114 153 T CB -0.759 68.236 68.868 0.212 0.000 0.867 153 T HN 0.592 nan 8.240 nan 0.000 0.513 154 D N 1.806 122.263 120.400 0.095 0.000 2.097 154 D HA 0.032 4.672 4.640 0.001 0.000 0.197 154 D C 2.459 178.803 176.300 0.075 0.000 0.984 154 D CA 1.441 55.495 54.000 0.090 0.000 0.826 154 D CB -1.022 39.828 40.800 0.082 0.000 0.973 154 D HN 0.556 nan 8.370 nan 0.000 0.460 155 G N 1.074 109.918 108.800 0.074 0.000 2.459 155 G HA2 -0.222 3.739 3.960 0.001 0.000 0.217 155 G HA3 -0.222 3.739 3.960 0.001 0.000 0.217 155 G C 1.804 176.691 174.900 -0.022 0.000 1.183 155 G CA 0.554 45.678 45.100 0.039 0.000 0.776 155 G HN 0.244 nan 8.290 nan 0.000 0.552 156 L N -0.258 120.913 121.223 -0.086 0.000 1.990 156 L HA -0.116 4.225 4.340 0.001 0.000 0.213 156 L C 2.730 179.605 176.870 0.009 0.000 1.072 156 L CA 0.935 55.666 54.840 -0.181 0.000 0.755 156 L CB -0.651 41.086 42.059 -0.536 0.000 0.889 156 L HN 0.240 nan 8.230 nan 0.000 0.432 157 L N -0.575 120.707 121.223 0.098 0.000 2.127 157 L HA -0.223 4.117 4.340 0.001 0.000 0.211 157 L C 2.665 179.598 176.870 0.104 0.000 1.089 157 L CA 1.970 56.906 54.840 0.159 0.000 0.757 157 L CB -0.670 41.482 42.059 0.155 0.000 0.899 157 L HN 0.181 nan 8.230 nan 0.000 0.434 158 S N -0.718 115.041 115.700 0.097 0.000 2.371 158 S HA -0.121 4.349 4.470 0.001 0.000 0.224 158 S C 2.037 176.748 174.600 0.185 0.000 1.029 158 S CA 1.204 59.497 58.200 0.154 0.000 0.978 158 S CB -0.495 62.791 63.200 0.144 0.000 0.833 158 S HN 0.629 nan 8.310 nan 0.000 0.466 159 I N 0.756 121.380 120.570 0.090 0.000 2.617 159 I HA 0.048 4.219 4.170 0.001 0.000 0.256 159 I C 1.841 178.001 176.117 0.071 0.000 1.167 159 I CA 1.072 62.416 61.300 0.072 0.000 1.469 159 I CB -0.286 37.712 38.000 -0.003 0.000 1.098 159 I HN 0.216 nan 8.210 nan 0.000 0.436 160 V N -0.785 119.174 119.914 0.075 0.000 3.306 160 V HA -0.011 4.110 4.120 0.001 0.000 0.264 160 V C 2.276 178.389 176.094 0.032 0.000 1.149 160 V CA 1.468 63.815 62.300 0.079 0.000 1.143 160 V CB -1.751 30.159 31.823 0.145 0.000 0.767 160 V HN 0.669 nan 8.190 nan 0.000 0.476 161 T N -2.974 111.572 114.554 -0.013 0.000 3.040 161 T HA 0.079 4.430 4.350 0.001 0.000 0.252 161 T C 1.594 176.165 174.700 -0.215 0.000 1.064 161 T CA 1.149 63.162 62.100 -0.146 0.000 1.110 161 T CB -0.452 68.281 68.868 -0.225 0.000 0.921 161 T HN 0.580 nan 8.240 nan 0.000 0.480 162 H N -0.348 118.713 119.070 -0.015 0.000 2.582 162 H HA 0.394 4.951 4.556 0.001 0.000 0.269 162 H C 0.319 175.637 175.328 -0.016 0.000 0.962 162 H CA 0.078 56.115 56.048 -0.018 0.000 1.230 162 H CB 0.357 30.113 29.762 -0.011 0.000 1.445 162 H HN 0.359 nan 8.280 nan 0.000 0.528 163 C N 2.338 121.697 119.300 0.099 0.000 2.170 163 C HA 0.284 4.745 4.460 0.001 0.000 0.339 163 C C 1.261 176.269 174.990 0.029 0.000 1.056 163 C CA -0.700 58.348 59.018 0.050 0.000 1.535 163 C CB -0.496 27.265 27.740 0.034 0.000 1.785 163 C HN 0.568 nan 8.230 nan 0.000 0.440 164 R N 0.838 121.350 120.500 0.020 0.000 2.275 164 R HA 0.022 4.363 4.340 0.001 0.000 0.199 164 R C 0.967 177.280 176.300 0.022 0.000 0.989 164 R CA 0.610 56.719 56.100 0.015 0.000 1.016 164 R CB 0.180 30.480 30.300 0.001 0.000 0.918 164 R HN 0.599 nan 8.270 nan 0.000 0.473 165 K N 0.901 121.311 120.400 0.016 0.000 2.514 165 K HA 0.282 4.602 4.320 0.001 0.000 0.207 165 K C 0.017 176.621 176.600 0.007 0.000 1.035 165 K CA -0.223 56.071 56.287 0.011 0.000 1.113 165 K CB 0.632 33.136 32.500 0.006 0.000 0.846 165 K HN 0.038 nan 8.250 nan 0.000 0.491 166 I N 2.215 122.791 120.570 0.010 0.000 2.821 166 I HA -0.194 3.976 4.170 0.001 0.000 0.294 166 I C 1.201 177.320 176.117 0.004 0.000 1.210 166 I CA 0.916 62.219 61.300 0.004 0.000 1.430 166 I CB 0.543 38.551 38.000 0.012 0.000 1.356 166 I HN 0.241 nan 8.210 nan 0.000 0.563 167 K N 3.101 123.496 120.400 -0.007 0.000 2.141 167 K HA 0.017 4.338 4.320 0.001 0.000 0.202 167 K C 0.732 177.326 176.600 -0.010 0.000 1.045 167 K CA 0.730 57.013 56.287 -0.008 0.000 0.971 167 K CB 0.225 32.716 32.500 -0.015 0.000 0.795 167 K HN 0.694 nan 8.250 nan 0.000 0.459 168 T N 0.370 114.910 114.554 -0.023 0.000 2.848 168 T HA 0.521 4.872 4.350 0.001 0.000 0.285 168 T C -1.628 173.049 174.700 -0.038 0.000 0.995 168 T CA -0.850 61.232 62.100 -0.030 0.000 0.970 168 T CB 1.198 70.039 68.868 -0.046 0.000 0.976 168 T HN -0.033 nan 8.240 nan 0.000 0.441 169 L N 5.247 126.460 121.223 -0.017 0.000 2.439 169 L HA 0.843 5.183 4.340 0.001 0.000 0.270 169 L C -1.908 174.963 176.870 0.002 0.000 0.972 169 L CA -0.702 54.130 54.840 -0.014 0.000 0.836 169 L CB 1.685 43.767 42.059 0.040 0.000 1.255 169 L HN 0.861 nan 8.230 nan 0.000 0.404 170 L N 5.492 126.690 121.223 -0.043 0.000 2.436 170 L HA 0.593 4.933 4.340 0.001 0.000 0.268 170 L C -0.669 176.200 176.870 -0.001 0.000 0.974 170 L CA -0.250 54.578 54.840 -0.020 0.000 0.826 170 L CB 2.077 44.080 42.059 -0.094 0.000 1.291 170 L HN 0.875 nan 8.230 nan 0.000 0.406 171 M N 3.110 122.772 119.600 0.103 0.000 2.540 171 M HA 0.215 4.695 4.480 0.001 0.000 0.404 171 M C -0.117 176.316 176.300 0.223 0.000 1.133 171 M CA -0.200 55.196 55.300 0.160 0.000 0.900 171 M CB 0.891 33.608 32.600 0.196 0.000 1.540 171 M HN 0.540 nan 8.290 nan 0.000 0.539 172 E N 2.688 122.989 120.200 0.168 0.000 2.585 172 E HA -0.167 4.183 4.350 0.001 0.000 0.252 172 E C 0.351 177.024 176.600 0.122 0.000 0.981 172 E CA 0.918 57.416 56.400 0.163 0.000 0.943 172 E CB 0.292 30.073 29.700 0.135 0.000 0.923 172 E HN 0.427 nan 8.360 nan 0.000 0.486 173 E N 1.832 122.089 120.200 0.094 0.000 3.801 173 E HA -0.211 4.140 4.350 0.001 0.000 0.319 173 E C -0.877 175.754 176.600 0.052 0.000 0.784 173 E CA 0.653 57.066 56.400 0.021 0.000 1.183 173 E CB -0.958 28.732 29.700 -0.017 0.000 1.601 173 E HN 0.499 nan 8.360 nan 0.000 0.441 174 S N 0.263 116.057 115.700 0.158 0.000 2.576 174 S HA 0.307 4.777 4.470 0.001 0.000 0.276 174 S C -0.154 174.510 174.600 0.107 0.000 1.339 174 S CA 0.115 58.449 58.200 0.223 0.000 1.039 174 S CB 1.396 64.868 63.200 0.455 0.000 0.902 174 S HN 0.394 nan 8.310 nan 0.000 0.516 175 S N 2.780 118.453 115.700 -0.046 0.000 2.552 175 S HA 0.823 5.293 4.470 0.001 0.000 0.314 175 S C -0.626 173.700 174.600 -0.456 0.000 1.099 175 S CA -0.826 57.163 58.200 -0.352 0.000 1.070 175 S CB 0.279 63.314 63.200 -0.275 0.000 0.998 175 S HN 0.594 nan 8.310 nan 0.000 0.474 176 F N -0.572 119.037 119.950 -0.569 0.000 2.869 176 F HA 0.838 5.366 4.527 0.001 0.000 0.325 176 F C -0.472 175.068 175.800 -0.433 0.000 1.184 176 F CA -1.339 56.228 58.000 -0.721 0.000 0.951 176 F CB 0.874 39.170 39.000 -1.173 0.000 1.421 176 F HN 0.400 nan 8.300 nan 0.000 0.501 177 S N 0.229 115.873 115.700 -0.094 0.000 2.433 177 S HA 0.266 4.737 4.470 0.001 0.000 0.310 177 S C -0.907 173.737 174.600 0.072 0.000 1.097 177 S CA -0.575 57.578 58.200 -0.079 0.000 1.103 177 S CB 0.774 63.944 63.200 -0.049 0.000 0.992 177 S HN 0.577 nan 8.310 nan 0.000 0.469 178 E N 2.895 123.107 120.200 0.019 0.000 2.081 178 E HA 0.214 4.565 4.350 0.001 0.000 0.281 178 E C 0.107 176.770 176.600 0.106 0.000 0.986 178 E CA -0.157 56.325 56.400 0.136 0.000 0.796 178 E CB 0.477 30.244 29.700 0.111 0.000 1.085 178 E HN 0.521 nan 8.360 nan 0.000 0.398 179 K N 2.692 123.174 120.400 0.138 0.000 2.370 179 K HA 0.086 4.407 4.320 0.001 0.000 0.194 179 K C -0.419 176.248 176.600 0.112 0.000 1.070 179 K CA 0.440 56.788 56.287 0.101 0.000 0.998 179 K CB 0.441 32.994 32.500 0.088 0.000 0.911 179 K HN 0.560 nan 8.250 nan 0.000 0.533 180 D N -2.895 117.606 120.400 0.168 0.000 3.010 180 D HA 0.112 4.753 4.640 0.001 0.000 0.353 180 D C -0.024 176.408 176.300 0.219 0.000 1.415 180 D CA -0.706 53.385 54.000 0.152 0.000 0.864 180 D CB 0.143 41.008 40.800 0.109 0.000 1.445 180 D HN -0.133 nan 8.370 nan 0.000 0.516 181 G N -1.360 107.507 108.800 0.113 0.000 3.829 181 G HA2 0.099 4.059 3.960 0.001 0.000 0.279 181 G HA3 0.099 4.059 3.960 0.001 0.000 0.279 181 G C 0.533 175.361 174.900 -0.120 0.000 1.008 181 G CA -0.257 44.832 45.100 -0.018 0.000 0.840 181 G HN 0.438 nan 8.290 nan 0.000 0.474 182 K N 0.683 121.098 120.400 0.026 0.000 2.442 182 K HA -0.064 4.257 4.320 0.001 0.000 0.198 182 K C 2.053 178.694 176.600 0.069 0.000 1.042 182 K CA 0.610 56.909 56.287 0.019 0.000 0.958 182 K CB -0.217 32.297 32.500 0.025 0.000 0.766 182 K HN 0.605 nan 8.250 nan 0.000 0.474 183 W N 1.393 122.703 121.300 0.015 0.000 2.381 183 W HA -0.079 4.581 4.660 0.001 0.000 0.301 183 W C 1.352 177.858 176.519 -0.022 0.000 1.205 183 W CA 0.210 57.550 57.345 -0.009 0.000 1.285 183 W CB -0.847 28.592 29.460 -0.036 0.000 1.133 183 W HN -0.015 nan 8.180 nan 0.000 0.521 184 L N 0.485 121.042 121.223 -1.110 0.000 2.109 184 L HA -0.201 4.139 4.340 0.001 0.000 0.207 184 L C 2.893 179.535 176.870 -0.380 0.000 1.086 184 L CA 2.190 56.417 54.840 -1.021 0.000 0.760 184 L CB -0.763 40.553 42.059 -1.238 0.000 0.910 184 L HN 0.074 nan 8.230 nan 0.000 0.437 185 H N -0.541 118.335 119.070 -0.323 0.000 2.395 185 H HA -0.226 4.330 4.556 0.001 0.000 0.299 185 H C 2.118 177.400 175.328 -0.076 0.000 1.070 185 H CA 1.756 57.706 56.048 -0.163 0.000 1.356 185 H CB 0.374 30.065 29.762 -0.118 0.000 1.401 185 H HN 0.238 nan 8.280 nan 0.000 0.524 186 E N 0.328 120.603 120.200 0.124 0.000 2.153 186 E HA -0.123 4.227 4.350 0.001 0.000 0.194 186 E C 2.105 178.768 176.600 0.105 0.000 0.988 186 E CA 0.951 57.442 56.400 0.151 0.000 0.811 186 E CB -0.291 29.488 29.700 0.132 0.000 0.746 186 E HN 0.557 nan 8.360 nan 0.000 0.466 187 L N -0.122 121.121 121.223 0.032 0.000 1.976 187 L HA -0.203 4.138 4.340 0.001 0.000 0.209 187 L C 2.506 179.361 176.870 -0.025 0.000 1.071 187 L CA 1.236 56.089 54.840 0.022 0.000 0.746 187 L CB -0.758 41.303 42.059 0.004 0.000 0.890 187 L HN 0.278 nan 8.230 nan 0.000 0.432 188 A N -0.373 122.380 122.820 -0.112 0.000 1.870 188 A HA -0.351 3.970 4.320 0.001 0.000 0.219 188 A C 2.131 179.615 177.584 -0.168 0.000 1.224 188 A CA 2.279 54.215 52.037 -0.170 0.000 0.650 188 A CB -0.894 17.924 19.000 -0.304 0.000 0.836 188 A HN 0.534 nan 8.150 nan 0.000 0.454 189 Q N -2.245 117.436 119.800 -0.198 0.000 2.234 189 Q HA -0.173 4.168 4.340 0.001 0.000 0.206 189 Q C 1.310 177.061 176.000 -0.416 0.000 0.980 189 Q CA 1.522 57.161 55.803 -0.272 0.000 0.869 189 Q CB -0.087 28.533 28.738 -0.195 0.000 0.912 189 Q HN 0.874 nan 8.270 nan 0.000 0.436 190 H N -2.547 116.501 119.070 -0.037 0.000 3.622 190 H HA 0.173 4.729 4.556 0.001 0.000 0.259 190 H C -0.214 175.104 175.328 -0.017 0.000 1.145 190 H CA -0.210 55.826 56.048 -0.021 0.000 1.178 190 H CB 0.594 30.349 29.762 -0.012 0.000 1.542 190 H HN 0.108 nan 8.280 nan 0.000 0.586 191 N N 0.434 119.183 118.700 0.080 0.000 2.498 191 N HA 0.101 4.842 4.740 0.001 0.000 0.287 191 N C 0.476 175.998 175.510 0.021 0.000 1.097 191 N CA 0.238 53.319 53.050 0.051 0.000 0.973 191 N CB 1.663 40.178 38.487 0.048 0.000 1.153 191 N HN -0.111 nan 8.380 nan 0.000 0.472 192 T N -0.513 114.053 114.554 0.020 0.000 3.010 192 T HA 0.016 4.367 4.350 0.001 0.000 0.252 192 T C 1.393 176.097 174.700 0.007 0.000 0.963 192 T CA 0.141 62.245 62.100 0.007 0.000 0.952 192 T CB 0.012 68.883 68.868 0.006 0.000 1.182 192 T HN 0.616 nan 8.240 nan 0.000 0.495 193 S N 1.293 117.000 115.700 0.011 0.000 2.496 193 S HA 0.200 4.671 4.470 0.001 0.000 0.224 193 S C 0.743 175.347 174.600 0.007 0.000 0.996 193 S CA -0.245 57.959 58.200 0.007 0.000 0.927 193 S CB -0.426 62.779 63.200 0.007 0.000 0.774 193 S HN 0.226 nan 8.310 nan 0.000 0.524 194 L N 2.601 123.833 121.223 0.015 0.000 2.653 194 L HA -0.008 4.333 4.340 0.001 0.000 0.288 194 L C 1.082 177.960 176.870 0.013 0.000 1.243 194 L CA 1.013 55.864 54.840 0.019 0.000 0.906 194 L CB 0.039 42.118 42.059 0.033 0.000 1.154 194 L HN 0.253 nan 8.230 nan 0.000 0.498 195 E N 2.222 122.427 120.200 0.007 0.000 2.520 195 E HA 0.179 4.529 4.350 0.001 0.000 0.201 195 E C -0.792 175.808 176.600 0.000 0.000 0.894 195 E CA 0.080 56.481 56.400 0.001 0.000 1.161 195 E CB 0.982 30.677 29.700 -0.008 0.000 1.137 195 E HN 0.398 nan 8.360 nan 0.000 0.510 196 V N 1.786 121.696 119.914 -0.006 0.000 2.656 196 V HA 0.566 4.687 4.120 0.001 0.000 0.307 196 V C -1.923 174.166 176.094 -0.008 0.000 1.051 196 V CA -0.823 61.468 62.300 -0.015 0.000 0.893 196 V CB 1.852 33.654 31.823 -0.034 0.000 0.999 196 V HN 0.079 nan 8.190 nan 0.000 0.426 197 L N 5.960 127.173 121.223 -0.017 0.000 2.406 197 L HA 0.735 5.075 4.340 0.001 0.000 0.272 197 L C -1.186 175.633 176.870 -0.085 0.000 0.980 197 L CA -0.075 54.771 54.840 0.009 0.000 0.831 197 L CB 1.840 43.930 42.059 0.050 0.000 1.253 197 L HN 0.847 nan 8.230 nan 0.000 0.406 198 N N 4.871 123.556 118.700 -0.025 0.000 2.558 198 N HA 0.379 5.119 4.740 0.001 0.000 0.285 198 N C -1.664 173.899 175.510 0.088 0.000 1.112 198 N CA -0.456 52.536 53.050 -0.097 0.000 0.857 198 N CB 0.748 39.198 38.487 -0.062 0.000 1.376 198 N HN 0.456 nan 8.380 nan 0.000 0.526 199 F N 3.060 123.072 119.950 0.105 0.000 2.542 199 F HA 0.391 4.918 4.527 0.001 0.000 0.323 199 F C 0.532 176.477 175.800 0.241 0.000 1.411 199 F CA -0.964 57.161 58.000 0.209 0.000 1.124 199 F CB -0.150 39.041 39.000 0.319 0.000 1.331 199 F HN 0.234 nan 8.300 nan 0.000 0.560 200 Y N 1.954 122.278 120.300 0.040 0.000 2.109 200 Y HA 0.113 4.663 4.550 0.001 0.000 0.285 200 Y C 1.028 176.923 175.900 -0.009 0.000 1.131 200 Y CA 1.369 59.441 58.100 -0.047 0.000 1.121 200 Y CB 0.039 38.456 38.460 -0.071 0.000 0.987 200 Y HN 0.382 nan 8.280 nan 0.000 0.495 201 M N 1.679 121.235 119.600 -0.075 0.000 3.347 201 M HA 0.202 4.683 4.480 0.001 0.000 0.260 201 M C -0.814 175.457 176.300 -0.048 0.000 1.362 201 M CA 0.100 55.261 55.300 -0.233 0.000 1.497 201 M CB 0.179 32.608 32.600 -0.285 0.000 1.080 201 M HN 0.207 nan 8.290 nan 0.000 0.592 202 T N -2.466 112.126 114.554 0.062 0.000 2.971 202 T HA 0.452 4.802 4.350 0.001 0.000 0.304 202 T C -0.530 174.197 174.700 0.044 0.000 1.038 202 T CA -1.106 61.056 62.100 0.104 0.000 1.007 202 T CB 1.524 70.649 68.868 0.428 0.000 1.055 202 T HN 0.273 nan 8.240 nan 0.000 0.451 203 E N 2.944 123.025 120.200 -0.199 0.000 1.861 203 E HA 0.245 4.595 4.350 0.001 0.000 0.263 203 E C -1.131 175.309 176.600 -0.266 0.000 1.137 203 E CA -0.182 56.098 56.400 -0.201 0.000 0.944 203 E CB -0.136 29.402 29.700 -0.269 0.000 1.092 203 E HN 0.553 nan 8.360 nan 0.000 0.420 204 F N 0.718 120.675 119.950 0.012 0.000 2.427 204 F HA 0.386 4.913 4.527 0.001 0.000 0.346 204 F C 0.947 176.709 175.800 -0.063 0.000 1.120 204 F CA -0.613 57.401 58.000 0.023 0.000 1.033 204 F CB 1.833 40.835 39.000 0.004 0.000 1.126 204 F HN 0.403 nan 8.300 nan 0.000 0.462 205 A N 2.972 125.882 122.820 0.149 0.000 2.508 205 A HA 0.280 4.601 4.320 0.001 0.000 0.250 205 A C 0.917 178.546 177.584 0.075 0.000 1.208 205 A CA -0.164 51.910 52.037 0.062 0.000 0.960 205 A CB 0.048 19.064 19.000 0.026 0.000 1.099 205 A HN 0.720 nan 8.150 nan 0.000 0.542 206 K N 0.653 121.129 120.400 0.127 0.000 2.469 206 K HA 0.309 4.630 4.320 0.001 0.000 0.204 206 K C -0.282 176.353 176.600 0.059 0.000 1.047 206 K CA -0.029 56.318 56.287 0.101 0.000 1.072 206 K CB 0.532 33.107 32.500 0.125 0.000 0.863 206 K HN 0.677 nan 8.250 nan 0.000 0.530 207 I N -1.634 118.945 120.570 0.014 0.000 2.359 207 I HA 0.346 4.516 4.170 0.001 0.000 0.294 207 I C -0.009 176.172 176.117 0.106 0.000 0.987 207 I CA -0.700 60.560 61.300 -0.067 0.000 1.225 207 I CB 1.807 39.635 38.000 -0.287 0.000 1.366 207 I HN -0.208 nan 8.210 nan 0.000 0.466 208 S N 6.912 122.657 115.700 0.076 0.000 2.528 208 S HA 0.345 4.816 4.470 0.001 0.000 0.277 208 S C -1.063 173.605 174.600 0.114 0.000 1.297 208 S CA -1.382 56.890 58.200 0.120 0.000 1.052 208 S CB 0.800 64.034 63.200 0.056 0.000 0.917 208 S HN 0.645 nan 8.310 nan 0.000 0.492 209 P HA -0.103 nan 4.420 nan 0.000 0.220 209 P C 0.973 178.139 177.300 -0.224 0.000 1.148 209 P CA 0.881 63.740 63.100 -0.402 0.000 0.803 209 P CB 0.120 31.450 31.700 -0.617 0.000 0.782 210 K N 0.093 120.428 120.400 -0.108 0.000 2.160 210 K HA -0.169 4.152 4.320 0.001 0.000 0.206 210 K C 1.636 178.176 176.600 -0.101 0.000 1.047 210 K CA 1.276 57.514 56.287 -0.081 0.000 0.930 210 K CB -0.712 31.764 32.500 -0.041 0.000 0.720 210 K HN 0.218 nan 8.250 nan 0.000 0.450 211 D N 0.829 121.162 120.400 -0.111 0.000 2.123 211 D HA -0.111 4.530 4.640 0.001 0.000 0.200 211 D C 1.915 178.128 176.300 -0.146 0.000 0.976 211 D CA 0.489 54.393 54.000 -0.159 0.000 0.831 211 D CB -0.123 40.572 40.800 -0.174 0.000 0.974 211 D HN -0.006 nan 8.370 nan 0.000 0.469 212 L N 1.617 122.750 121.223 -0.150 0.000 2.079 212 L HA -0.142 4.199 4.340 0.001 0.000 0.210 212 L C 2.089 178.924 176.870 -0.059 0.000 1.081 212 L CA 1.747 56.487 54.840 -0.167 0.000 0.752 212 L CB -0.642 41.212 42.059 -0.341 0.000 0.896 212 L HN 0.025 nan 8.230 nan 0.000 0.433 213 E N -1.426 118.745 120.200 -0.048 0.000 2.031 213 E HA -0.267 4.083 4.350 0.001 0.000 0.193 213 E C 2.038 178.651 176.600 0.021 0.000 0.994 213 E CA 1.687 58.123 56.400 0.059 0.000 0.800 213 E CB -0.226 29.469 29.700 -0.007 0.000 0.752 213 E HN 0.528 nan 8.360 nan 0.000 0.447 214 T N -0.203 114.324 114.554 -0.044 0.000 2.929 214 T HA -0.082 4.269 4.350 0.001 0.000 0.271 214 T C 1.837 176.506 174.700 -0.051 0.000 1.085 214 T CA 0.954 63.015 62.100 -0.065 0.000 1.125 214 T CB -0.261 68.539 68.868 -0.113 0.000 0.874 214 T HN 0.204 nan 8.240 nan 0.000 0.494 215 I N 0.947 121.499 120.570 -0.030 0.000 2.233 215 I HA 0.005 4.175 4.170 0.001 0.000 0.243 215 I C 3.056 179.192 176.117 0.031 0.000 1.093 215 I CA 1.005 62.301 61.300 -0.007 0.000 1.380 215 I CB -0.594 37.408 38.000 0.004 0.000 1.067 215 I HN 0.321 nan 8.210 nan 0.000 0.413 216 A N 0.682 123.557 122.820 0.091 0.000 1.978 216 A HA -0.261 4.059 4.320 0.001 0.000 0.220 216 A C 2.352 179.926 177.584 -0.017 0.000 1.170 216 A CA 1.796 53.873 52.037 0.066 0.000 0.636 216 A CB -0.623 18.414 19.000 0.061 0.000 0.810 216 A HN 0.314 nan 8.150 nan 0.000 0.448 217 R N -0.722 119.765 120.500 -0.021 0.000 2.148 217 R HA -0.033 4.308 4.340 0.001 0.000 0.223 217 R C 1.332 177.610 176.300 -0.035 0.000 1.088 217 R CA 1.418 57.494 56.100 -0.039 0.000 0.985 217 R CB -0.054 30.221 30.300 -0.042 0.000 0.880 217 R HN 0.495 nan 8.270 nan 0.000 0.451 218 N N -1.305 117.377 118.700 -0.029 0.000 2.388 218 N HA 0.044 4.785 4.740 0.001 0.000 0.176 218 N C -0.616 174.883 175.510 -0.018 0.000 1.062 218 N CA 0.377 53.409 53.050 -0.029 0.000 0.895 218 N CB 0.633 39.098 38.487 -0.037 0.000 1.018 218 N HN 0.081 nan 8.380 nan 0.000 0.456 219 C N 1.901 121.195 119.300 -0.009 0.000 2.184 219 C HA 0.394 4.854 4.460 0.001 0.000 0.328 219 C C 1.585 176.569 174.990 -0.009 0.000 1.081 219 C CA -0.865 58.152 59.018 -0.003 0.000 1.533 219 C CB -0.104 27.643 27.740 0.012 0.000 1.905 219 C HN 0.170 nan 8.230 nan 0.000 0.439 220 R N 1.038 121.529 120.500 -0.014 0.000 2.193 220 R HA -0.053 4.287 4.340 0.001 0.000 0.229 220 R C 1.834 178.123 176.300 -0.017 0.000 1.110 220 R CA 0.979 57.066 56.100 -0.020 0.000 0.988 220 R CB -0.203 30.084 30.300 -0.020 0.000 0.871 220 R HN 0.599 nan 8.270 nan 0.000 0.458 221 S N -0.072 115.621 115.700 -0.011 0.000 2.577 221 S HA 0.151 4.622 4.470 0.001 0.000 0.219 221 S C -0.062 174.535 174.600 -0.005 0.000 0.962 221 S CA -0.498 57.697 58.200 -0.010 0.000 0.921 221 S CB 0.040 63.235 63.200 -0.009 0.000 0.789 221 S HN 0.067 nan 8.310 nan 0.000 0.497 222 L N 2.494 123.717 121.223 -0.001 0.000 2.597 222 L HA 0.124 4.464 4.340 0.001 0.000 0.271 222 L C 0.733 177.609 176.870 0.010 0.000 1.157 222 L CA 0.681 55.529 54.840 0.013 0.000 0.928 222 L CB 0.403 42.481 42.059 0.032 0.000 1.216 222 L HN 0.003 nan 8.230 nan 0.000 0.481 223 V N 2.520 122.441 119.914 0.012 0.000 3.307 223 V HA 0.262 4.382 4.120 0.001 0.000 0.244 223 V C 0.616 176.721 176.094 0.019 0.000 1.196 223 V CA 0.778 63.083 62.300 0.008 0.000 1.132 223 V CB 0.704 32.524 31.823 -0.004 0.000 0.875 223 V HN 0.785 nan 8.190 nan 0.000 0.468 224 S N -0.040 115.668 115.700 0.014 0.000 2.549 224 S HA 0.726 5.197 4.470 0.001 0.000 0.280 224 S C -1.538 173.051 174.600 -0.018 0.000 1.109 224 S CA -0.218 57.982 58.200 -0.001 0.000 0.905 224 S CB 1.978 65.155 63.200 -0.038 0.000 1.081 224 S HN 0.570 nan 8.310 nan 0.000 0.477 225 V N 4.187 124.065 119.914 -0.060 0.000 2.737 225 V HA 0.672 4.793 4.120 0.001 0.000 0.298 225 V C -1.834 173.976 176.094 -0.473 0.000 1.163 225 V CA -0.551 61.635 62.300 -0.189 0.000 0.925 225 V CB 1.548 33.333 31.823 -0.064 0.000 1.037 225 V HN 0.989 nan 8.190 nan 0.000 0.433 226 K N 4.505 124.568 120.400 -0.562 0.000 2.267 226 K HA 0.932 5.253 4.320 0.001 0.000 0.246 226 K C -1.367 174.782 176.600 -0.751 0.000 0.954 226 K CA -0.873 54.987 56.287 -0.712 0.000 0.824 226 K CB 2.741 34.883 32.500 -0.596 0.000 1.167 226 K HN 0.570 nan 8.250 nan 0.000 0.431 227 V N 0.271 119.860 119.914 -0.542 0.000 3.206 227 V HA 0.404 4.524 4.120 0.001 0.000 0.305 227 V C 0.373 176.513 176.094 0.075 0.000 1.257 227 V CA -0.613 61.448 62.300 -0.399 0.000 1.057 227 V CB 2.254 33.923 31.823 -0.256 0.000 1.075 227 V HN 1.014 nan 8.190 nan 0.000 0.443 228 G N -0.249 108.707 108.800 0.260 0.000 2.803 228 G HA2 0.127 4.087 3.960 0.001 0.000 0.177 228 G HA3 0.127 4.087 3.960 0.001 0.000 0.177 228 G C -0.088 174.917 174.900 0.175 0.000 1.629 228 G CA 0.161 45.404 45.100 0.238 0.000 1.077 228 G HN 0.658 nan 8.290 nan 0.000 0.556 229 D N 0.159 120.633 120.400 0.123 0.000 2.706 229 D HA 0.242 4.883 4.640 0.001 0.000 0.236 229 D C 0.014 176.434 176.300 0.199 0.000 1.231 229 D CA -0.266 53.845 54.000 0.186 0.000 0.828 229 D CB -0.390 40.504 40.800 0.157 0.000 1.015 229 D HN 0.110 nan 8.370 nan 0.000 0.484 230 F N 1.193 121.265 119.950 0.204 0.000 2.628 230 F HA -0.076 4.452 4.527 0.001 0.000 0.362 230 F C 1.598 177.510 175.800 0.185 0.000 1.148 230 F CA 0.114 58.217 58.000 0.173 0.000 1.352 230 F CB 0.757 39.849 39.000 0.154 0.000 1.081 230 F HN -0.190 nan 8.300 nan 0.000 0.605 231 E N 3.478 123.932 120.200 0.424 0.000 2.180 231 E HA 0.058 4.409 4.350 0.001 0.000 0.283 231 E C 0.900 177.667 176.600 0.280 0.000 1.061 231 E CA -0.081 56.501 56.400 0.304 0.000 0.861 231 E CB 0.952 30.795 29.700 0.239 0.000 1.056 231 E HN 0.539 nan 8.360 nan 0.000 0.407 232 I N 4.523 125.267 120.570 0.290 0.000 2.236 232 I HA -0.342 3.829 4.170 0.001 0.000 0.249 232 I C 2.146 178.419 176.117 0.260 0.000 1.102 232 I CA 1.120 62.583 61.300 0.272 0.000 1.365 232 I CB -0.081 38.015 38.000 0.159 0.000 1.051 232 I HN 0.614 nan 8.210 nan 0.000 0.420 233 L N -0.271 121.128 121.223 0.293 0.000 2.131 233 L HA -0.233 4.108 4.340 0.001 0.000 0.210 233 L C 2.103 179.039 176.870 0.110 0.000 1.092 233 L CA 1.382 56.340 54.840 0.197 0.000 0.759 233 L CB -0.527 41.619 42.059 0.146 0.000 0.903 233 L HN 0.345 nan 8.230 nan 0.000 0.435 234 E N -0.347 119.908 120.200 0.091 0.000 2.482 234 E HA -0.098 4.252 4.350 0.001 0.000 0.196 234 E C 1.758 178.323 176.600 -0.057 0.000 1.047 234 E CA 0.359 56.765 56.400 0.009 0.000 0.869 234 E CB 0.196 29.894 29.700 -0.003 0.000 0.836 234 E HN 0.516 nan 8.360 nan 0.000 0.520 235 L N 0.036 121.263 121.223 0.006 0.000 2.640 235 L HA 0.025 4.366 4.340 0.001 0.000 0.230 235 L C 1.783 178.747 176.870 0.156 0.000 1.123 235 L CA -0.123 54.705 54.840 -0.020 0.000 0.900 235 L CB 0.485 42.504 42.059 -0.066 0.000 1.146 235 L HN 0.018 nan 8.230 nan 0.000 0.484 236 V N 0.131 120.152 119.914 0.178 0.000 2.392 236 V HA -0.229 3.892 4.120 0.001 0.000 0.249 236 V C 2.607 178.756 176.094 0.093 0.000 1.059 236 V CA 2.093 64.496 62.300 0.172 0.000 1.051 236 V CB -1.362 30.491 31.823 0.051 0.000 0.658 236 V HN 0.578 nan 8.190 nan 0.000 0.455 237 G N -0.423 108.403 108.800 0.043 0.000 2.418 237 G HA2 -0.312 3.648 3.960 0.001 0.000 0.217 237 G HA3 -0.312 3.648 3.960 0.001 0.000 0.217 237 G C 1.458 176.361 174.900 0.005 0.000 1.158 237 G CA 1.072 46.178 45.100 0.009 0.000 0.771 237 G HN 0.485 nan 8.290 nan 0.000 0.545 238 F N 1.275 121.131 119.950 -0.156 0.000 2.011 238 F HA -0.066 4.461 4.527 0.001 0.000 0.296 238 F C 2.432 178.121 175.800 -0.185 0.000 1.144 238 F CA 1.639 59.498 58.000 -0.235 0.000 1.185 238 F CB -0.816 37.941 39.000 -0.406 0.000 0.961 238 F HN 0.134 nan 8.300 nan 0.000 0.485 239 F N 0.873 120.594 119.950 -0.383 0.000 2.147 239 F HA -0.267 4.260 4.527 0.001 0.000 0.301 239 F C 2.477 178.054 175.800 -0.371 0.000 1.084 239 F CA 1.936 59.641 58.000 -0.492 0.000 1.268 239 F CB -0.620 38.186 39.000 -0.323 0.000 1.009 239 F HN -0.007 nan 8.300 nan 0.000 0.486 240 K N -0.163 120.197 120.400 -0.067 0.000 2.057 240 K HA -0.109 4.212 4.320 0.001 0.000 0.207 240 K C 2.231 178.757 176.600 -0.122 0.000 1.049 240 K CA 1.205 57.443 56.287 -0.082 0.000 0.931 240 K CB -0.384 32.083 32.500 -0.056 0.000 0.714 240 K HN 0.258 nan 8.250 nan 0.000 0.440 241 A N 1.005 123.728 122.820 -0.162 0.000 2.072 241 A HA 0.121 4.441 4.320 0.001 0.000 0.216 241 A C 1.566 179.033 177.584 -0.195 0.000 1.156 241 A CA 0.774 52.722 52.037 -0.148 0.000 0.701 241 A CB -0.012 18.922 19.000 -0.110 0.000 0.816 241 A HN 0.235 nan 8.150 nan 0.000 0.458 242 A N 0.224 122.840 122.820 -0.340 0.000 3.074 242 A HA 0.567 4.887 4.320 0.001 0.000 0.251 242 A C 1.629 179.094 177.584 -0.198 0.000 1.695 242 A CA 0.661 52.486 52.037 -0.353 0.000 1.343 242 A CB -1.124 17.426 19.000 -0.751 0.000 1.078 242 A HN 0.825 nan 8.150 nan 0.000 0.644 243 A N 1.489 124.230 122.820 -0.132 0.000 1.859 243 A HA -0.237 4.084 4.320 0.001 0.000 0.218 243 A C 1.716 179.255 177.584 -0.075 0.000 1.209 243 A CA 2.052 54.033 52.037 -0.092 0.000 0.639 243 A CB -0.508 18.449 19.000 -0.071 0.000 0.835 243 A HN 0.578 nan 8.150 nan 0.000 0.450 244 N N -0.353 118.311 118.700 -0.061 0.000 2.515 244 N HA 0.079 4.819 4.740 0.001 0.000 0.191 244 N C -0.028 175.463 175.510 -0.032 0.000 1.182 244 N CA -0.075 52.950 53.050 -0.042 0.000 0.879 244 N CB -0.557 37.910 38.487 -0.032 0.000 0.984 244 N HN 0.402 nan 8.380 nan 0.000 0.453 245 L N 1.354 122.554 121.223 -0.038 0.000 2.513 245 L HA -0.017 4.323 4.340 0.001 0.000 0.272 245 L C 1.026 177.901 176.870 0.009 0.000 1.187 245 L CA 0.814 55.654 54.840 -0.000 0.000 0.895 245 L CB 0.402 42.464 42.059 0.005 0.000 1.147 245 L HN 0.164 nan 8.230 nan 0.000 0.483 246 E N 2.707 122.920 120.200 0.022 0.000 2.434 246 E HA 0.115 4.465 4.350 0.001 0.000 0.207 246 E C -0.222 176.401 176.600 0.038 0.000 0.929 246 E CA 0.059 56.467 56.400 0.014 0.000 1.001 246 E CB 0.776 30.476 29.700 0.000 0.000 1.016 246 E HN 0.682 nan 8.360 nan 0.000 0.502 247 E N 0.517 120.757 120.200 0.066 0.000 2.256 247 E HA 0.404 4.755 4.350 0.001 0.000 0.268 247 E C -1.849 174.850 176.600 0.165 0.000 0.877 247 E CA -0.622 55.820 56.400 0.071 0.000 0.757 247 E CB 1.565 31.264 29.700 -0.002 0.000 1.183 247 E HN -0.039 nan 8.360 nan 0.000 0.418 248 F N 4.899 124.861 119.950 0.021 0.000 2.607 248 F HA 0.510 5.038 4.527 0.001 0.000 0.322 248 F C -1.554 174.230 175.800 -0.027 0.000 1.176 248 F CA -0.517 57.514 58.000 0.052 0.000 0.977 248 F CB 0.870 40.023 39.000 0.255 0.000 1.242 248 F HN 0.574 nan 8.300 nan 0.000 0.465 249 C N 3.805 122.795 119.300 -0.518 0.000 2.562 249 C HA 1.020 5.481 4.460 0.001 0.000 0.332 249 C C 0.695 175.293 174.990 -0.653 0.000 1.201 249 C CA 0.196 58.927 59.018 -0.479 0.000 1.803 249 C CB 0.769 27.943 27.740 -0.944 0.000 2.328 249 C HN 1.345 nan 8.230 nan 0.000 0.500 250 G N 0.557 109.335 108.800 -0.037 0.000 2.418 250 G HA2 0.474 4.434 3.960 0.001 0.000 0.206 250 G HA3 0.474 4.434 3.960 0.001 0.000 0.206 250 G C 0.178 175.307 174.900 0.382 0.000 1.202 250 G CA 0.142 45.348 45.100 0.177 0.000 1.061 250 G HN 2.673 nan 8.290 nan 0.000 0.563 251 G N -1.415 107.616 108.800 0.385 0.000 2.698 251 G HA2 0.381 4.341 3.960 0.001 0.000 0.233 251 G HA3 0.381 4.341 3.960 0.001 0.000 0.233 251 G C 0.327 175.461 174.900 0.390 0.000 1.352 251 G CA 1.249 46.641 45.100 0.488 0.000 0.879 251 G HN 2.553 nan 8.290 nan 0.000 0.567 252 S N -1.317 114.607 115.700 0.373 0.000 2.603 252 S HA 0.587 5.058 4.470 0.001 0.000 0.274 252 S C -0.674 174.074 174.600 0.248 0.000 1.168 252 S CA -0.542 57.892 58.200 0.390 0.000 0.963 252 S CB 0.938 64.351 63.200 0.356 0.000 1.078 252 S HN 1.029 nan 8.310 nan 0.000 0.477 253 L N 5.241 126.588 121.223 0.207 0.000 2.287 253 L HA 0.485 4.825 4.340 0.001 0.000 0.280 253 L C -0.346 176.618 176.870 0.155 0.000 1.055 253 L CA -0.564 54.278 54.840 0.004 0.000 0.863 253 L CB 0.584 42.564 42.059 -0.132 0.000 1.245 253 L HN 0.582 nan 8.230 nan 0.000 0.432 254 N N 3.691 122.553 118.700 0.270 0.000 2.437 254 N HA 0.182 4.922 4.740 0.001 0.000 0.259 254 N C -0.527 175.151 175.510 0.279 0.000 0.983 254 N CA -0.444 52.735 53.050 0.215 0.000 0.937 254 N CB 1.710 40.288 38.487 0.151 0.000 1.122 254 N HN 0.544 nan 8.380 nan 0.000 0.499 255 E N 0.579 120.897 120.200 0.197 0.000 2.109 255 E HA 0.204 4.554 4.350 0.001 0.000 0.278 255 E C -0.868 175.777 176.600 0.075 0.000 0.954 255 E CA -0.937 55.559 56.400 0.160 0.000 0.779 255 E CB 0.888 30.684 29.700 0.160 0.000 1.093 255 E HN 0.387 nan 8.360 nan 0.000 0.401 256 D N 4.333 124.755 120.400 0.036 0.000 2.229 256 D HA 0.076 4.717 4.640 0.001 0.000 0.249 256 D C 0.919 177.224 176.300 0.008 0.000 1.027 256 D CA -0.755 53.255 54.000 0.016 0.000 0.923 256 D CB 1.213 42.014 40.800 0.003 0.000 1.174 256 D HN 0.352 nan 8.370 nan 0.000 0.443 257 I N 1.148 121.724 120.570 0.009 0.000 2.676 257 I HA -0.046 4.124 4.170 0.001 0.000 0.259 257 I C 2.306 178.421 176.117 -0.002 0.000 1.194 257 I CA 0.670 61.975 61.300 0.008 0.000 1.473 257 I CB -1.573 36.434 38.000 0.011 0.000 1.096 257 I HN 0.660 nan 8.210 nan 0.000 0.443 258 G N 0.723 109.518 108.800 -0.009 0.000 2.708 258 G HA2 -0.039 3.922 3.960 0.001 0.000 0.210 258 G HA3 -0.039 3.922 3.960 0.001 0.000 0.210 258 G C 0.864 175.748 174.900 -0.027 0.000 1.141 258 G CA 0.118 45.209 45.100 -0.015 0.000 0.788 258 G HN 0.308 nan 8.290 nan 0.000 0.531 259 M N -0.081 119.498 119.600 -0.035 0.000 2.060 259 M HA 0.194 4.674 4.480 0.001 0.000 0.231 259 M C -2.415 173.858 176.300 -0.046 0.000 0.936 259 M CA -1.215 54.052 55.300 -0.056 0.000 0.981 259 M CB 2.761 35.300 32.600 -0.102 0.000 2.216 259 M HN -0.152 nan 8.290 nan 0.000 0.399 260 P HA -0.051 nan 4.420 nan 0.000 0.219 260 P C 0.074 177.376 177.300 0.003 0.000 1.150 260 P CA 1.112 64.213 63.100 0.002 0.000 0.814 260 P CB 0.343 32.047 31.700 0.008 0.000 0.787 261 E N -0.408 119.782 120.200 -0.017 0.000 2.663 261 E HA 0.071 4.421 4.350 0.001 0.000 0.240 261 E C 1.123 177.684 176.600 -0.065 0.000 1.227 261 E CA -0.203 56.187 56.400 -0.016 0.000 1.528 261 E CB 0.060 29.756 29.700 -0.007 0.000 1.472 261 E HN 0.158 nan 8.360 nan 0.000 0.433 262 K N 0.080 120.400 120.400 -0.133 0.000 2.007 262 K HA -0.082 4.239 4.320 0.001 0.000 0.206 262 K C 0.564 176.969 176.600 -0.326 0.000 1.047 262 K CA 1.114 57.214 56.287 -0.311 0.000 0.937 262 K CB 0.201 32.370 32.500 -0.552 0.000 0.718 262 K HN 0.283 nan 8.250 nan 0.000 0.438 263 Y N 0.023 120.322 120.300 -0.001 0.000 2.645 263 Y HA 0.163 4.713 4.550 0.001 0.000 0.307 263 Y C 0.808 176.696 175.900 -0.021 0.000 1.151 263 Y CA -0.673 57.418 58.100 -0.015 0.000 1.291 263 Y CB 0.633 39.094 38.460 0.002 0.000 1.135 263 Y HN 0.034 nan 8.280 nan 0.000 0.523 264 M N -0.459 119.184 119.600 0.072 0.000 2.431 264 M HA 0.129 4.610 4.480 0.001 0.000 0.237 264 M C -0.054 176.260 176.300 0.024 0.000 1.130 264 M CA 0.480 55.813 55.300 0.055 0.000 1.002 264 M CB -0.294 32.331 32.600 0.041 0.000 1.524 264 M HN 0.190 nan 8.290 nan 0.000 0.482 265 N N 0.635 119.336 118.700 0.002 0.000 2.541 265 N HA 0.211 4.951 4.740 0.001 0.000 0.297 265 N C -1.052 174.413 175.510 -0.074 0.000 1.503 265 N CA -0.071 52.963 53.050 -0.027 0.000 0.919 265 N CB 0.838 39.306 38.487 -0.031 0.000 1.305 265 N HN 0.057 nan 8.380 nan 0.000 0.501 266 L N 1.821 122.979 121.223 -0.108 0.000 2.260 266 L HA 0.323 4.664 4.340 0.001 0.000 0.289 266 L C 0.323 176.988 176.870 -0.341 0.000 1.057 266 L CA -0.590 54.059 54.840 -0.317 0.000 0.811 266 L CB 0.890 42.653 42.059 -0.494 0.000 1.184 266 L HN 0.008 nan 8.230 nan 0.000 0.429 267 V N 1.898 121.594 119.914 -0.364 0.000 2.222 267 V HA 0.304 4.424 4.120 0.001 0.000 0.253 267 V C 0.289 176.153 176.094 -0.383 0.000 1.210 267 V CA -0.680 61.467 62.300 -0.256 0.000 1.079 267 V CB -1.165 30.568 31.823 -0.150 0.000 1.265 267 V HN 0.347 nan 8.190 nan 0.000 0.494 268 F N 4.203 123.966 119.950 -0.313 0.000 2.471 268 F HA 0.445 4.973 4.527 0.001 0.000 0.353 268 F C -1.248 174.358 175.800 -0.324 0.000 1.113 268 F CA -1.750 55.992 58.000 -0.430 0.000 1.262 268 F CB 0.519 39.249 39.000 -0.450 0.000 1.146 268 F HN 0.331 nan 8.300 nan 0.000 0.578 269 P HA 0.027 nan 4.420 nan 0.000 0.266 269 P C 0.333 177.534 177.300 -0.164 0.000 1.193 269 P CA 0.020 63.078 63.100 -0.070 0.000 0.770 269 P CB 0.590 32.277 31.700 -0.023 0.000 0.836 270 R N 2.328 122.745 120.500 -0.139 0.000 2.073 270 R HA -0.137 4.203 4.340 0.001 0.000 0.234 270 R C 1.504 177.701 176.300 -0.171 0.000 1.134 270 R CA 1.542 57.548 56.100 -0.156 0.000 0.952 270 R CB -0.424 29.819 30.300 -0.095 0.000 0.850 270 R HN 0.515 nan 8.270 nan 0.000 0.433 271 K N 1.024 121.354 120.400 -0.117 0.000 2.504 271 K HA 0.088 4.409 4.320 0.001 0.000 0.195 271 K C 0.799 177.342 176.600 -0.096 0.000 1.036 271 K CA -0.080 56.155 56.287 -0.088 0.000 0.984 271 K CB -0.027 32.441 32.500 -0.053 0.000 0.788 271 K HN 0.123 nan 8.250 nan 0.000 0.488 272 L N 1.846 122.979 121.223 -0.151 0.000 2.700 272 L HA -0.125 4.216 4.340 0.001 0.000 0.272 272 L C 0.758 177.579 176.870 -0.083 0.000 1.176 272 L CA 0.183 54.950 54.840 -0.122 0.000 0.961 272 L CB 0.145 42.090 42.059 -0.189 0.000 1.249 272 L HN 0.430 nan 8.230 nan 0.000 0.487 273 C N 2.033 121.330 119.300 -0.004 0.000 3.882 273 C HA 0.427 4.888 4.460 0.001 0.000 0.340 273 C C 0.680 175.692 174.990 0.037 0.000 1.563 273 C CA -0.782 58.257 59.018 0.036 0.000 1.870 273 C CB -0.134 27.620 27.740 0.022 0.000 2.795 273 C HN 0.807 nan 8.230 nan 0.000 0.692 274 R N 1.594 122.112 120.500 0.030 0.000 2.451 274 R HA 0.824 5.165 4.340 0.001 0.000 0.307 274 R C -0.904 175.416 176.300 0.033 0.000 0.965 274 R CA -0.022 56.089 56.100 0.019 0.000 0.865 274 R CB 1.559 31.859 30.300 0.001 0.000 1.174 274 R HN 0.697 nan 8.270 nan 0.000 0.455 275 L N -1.217 120.022 121.223 0.027 0.000 2.892 275 L HA 1.005 5.345 4.340 0.001 0.000 0.269 275 L C -1.097 175.795 176.870 0.036 0.000 1.058 275 L CA -0.877 53.998 54.840 0.058 0.000 0.923 275 L CB 2.347 44.456 42.059 0.084 0.000 1.518 275 L HN 0.527 nan 8.230 nan 0.000 0.402 276 G N 1.626 110.479 108.800 0.087 0.000 2.078 276 G HA2 0.467 4.428 3.960 0.001 0.000 0.297 276 G HA3 0.467 4.428 3.960 0.001 0.000 0.297 276 G C -1.448 173.557 174.900 0.177 0.000 1.370 276 G CA -0.627 44.525 45.100 0.086 0.000 1.222 276 G HN 0.631 nan 8.290 nan 0.000 0.586 277 L N 1.701 123.015 121.223 0.151 0.000 2.326 277 L HA 0.449 4.790 4.340 0.001 0.000 0.278 277 L C 0.643 177.600 176.870 0.145 0.000 1.092 277 L CA -0.597 54.366 54.840 0.206 0.000 0.810 277 L CB 1.509 43.651 42.059 0.138 0.000 1.153 277 L HN 0.408 nan 8.230 nan 0.000 0.439 278 S N 1.820 117.615 115.700 0.159 0.000 2.545 278 S HA 0.274 4.744 4.470 0.001 0.000 0.275 278 S C -0.157 174.447 174.600 0.008 0.000 1.299 278 S CA -0.272 57.905 58.200 -0.037 0.000 1.048 278 S CB 0.295 63.391 63.200 -0.174 0.000 0.938 278 S HN 0.626 nan 8.310 nan 0.000 0.496 279 Y N -1.697 118.680 120.300 0.128 0.000 4.841 279 Y HA -0.239 4.311 4.550 0.001 0.000 0.242 279 Y C 0.541 176.470 175.900 0.047 0.000 1.002 279 Y CA 0.370 58.521 58.100 0.086 0.000 2.011 279 Y CB -2.333 36.174 38.460 0.079 0.000 1.554 279 Y HN 0.725 nan 8.280 nan 0.000 0.618 280 M N 1.602 121.271 119.600 0.114 0.000 2.356 280 M HA 0.376 4.856 4.480 0.001 0.000 0.348 280 M C 0.960 177.279 176.300 0.031 0.000 1.595 280 M CA 1.089 56.411 55.300 0.037 0.000 1.095 280 M CB 0.200 32.786 32.600 -0.023 0.000 1.963 280 M HN 0.361 nan 8.290 nan 0.000 0.459 281 G N 5.065 113.889 108.800 0.040 0.000 2.537 281 G HA2 0.508 4.468 3.960 0.001 0.000 0.297 281 G HA3 0.508 4.468 3.960 0.001 0.000 0.297 281 G C -2.460 172.449 174.900 0.014 0.000 1.310 281 G CA -1.232 43.893 45.100 0.041 0.000 1.027 281 G HN 0.562 nan 8.290 nan 0.000 0.505 282 P HA -0.060 nan 4.420 nan 0.000 0.219 282 P C 1.496 178.818 177.300 0.037 0.000 1.150 282 P CA 0.699 63.815 63.100 0.026 0.000 0.814 282 P CB 0.218 31.944 31.700 0.043 0.000 0.787 283 N N 0.185 118.916 118.700 0.052 0.000 2.166 283 N HA -0.139 4.602 4.740 0.001 0.000 0.186 283 N C 1.384 176.936 175.510 0.070 0.000 1.019 283 N CA 1.209 54.300 53.050 0.068 0.000 0.856 283 N CB -0.496 38.039 38.487 0.081 0.000 0.993 283 N HN 0.408 nan 8.380 nan 0.000 0.426 284 E N 0.573 120.803 120.200 0.050 0.000 2.431 284 E HA 0.017 4.367 4.350 0.001 0.000 0.200 284 E C 1.789 178.344 176.600 -0.075 0.000 0.995 284 E CA -0.123 56.295 56.400 0.032 0.000 0.915 284 E CB -0.408 29.301 29.700 0.014 0.000 0.930 284 E HN 0.343 nan 8.360 nan 0.000 0.496 285 M N 1.949 121.480 119.600 -0.115 0.000 2.143 285 M HA -0.113 4.367 4.480 0.001 0.000 0.258 285 M C -0.945 175.014 176.300 -0.567 0.000 1.071 285 M CA 1.907 57.046 55.300 -0.268 0.000 1.088 285 M CB -1.002 31.480 32.600 -0.196 0.000 1.360 285 M HN -0.078 nan 8.290 nan 0.000 0.404 286 P HA -0.176 nan 4.420 nan 0.000 0.218 286 P C 1.471 178.528 177.300 -0.405 0.000 1.146 286 P CA 1.670 64.509 63.100 -0.434 0.000 0.813 286 P CB -0.815 30.963 31.700 0.131 0.000 0.778 287 I N -4.778 115.650 120.570 -0.237 0.000 3.010 287 I HA -0.113 4.057 4.170 0.001 0.000 0.271 287 I C 1.415 177.408 176.117 -0.206 0.000 1.293 287 I CA 1.297 62.555 61.300 -0.071 0.000 1.452 287 I CB -0.706 37.354 38.000 0.099 0.000 1.082 287 I HN -0.063 nan 8.210 nan 0.000 0.484 288 L N -0.683 120.196 121.223 -0.574 0.000 2.408 288 L HA 0.107 4.448 4.340 0.001 0.000 0.215 288 L C 2.176 178.527 176.870 -0.866 0.000 1.081 288 L CA 0.272 54.584 54.840 -0.879 0.000 0.840 288 L CB -0.343 41.254 42.059 -0.770 0.000 1.002 288 L HN 0.111 nan 8.230 nan 0.000 0.468 289 F N 1.011 120.737 119.950 -0.373 0.000 2.091 289 F HA -0.127 4.400 4.527 0.001 0.000 0.299 289 F C -0.198 175.457 175.800 -0.243 0.000 1.103 289 F CA 0.921 58.758 58.000 -0.271 0.000 1.228 289 F CB -2.508 36.403 39.000 -0.148 0.000 0.984 289 F HN 0.099 nan 8.300 nan 0.000 0.477 290 P HA -0.191 nan 4.420 nan 0.000 0.225 290 P C 0.185 177.601 177.300 0.192 0.000 1.141 290 P CA 1.512 64.681 63.100 0.115 0.000 0.774 290 P CB -0.563 31.263 31.700 0.211 0.000 0.760 291 F N -6.945 113.012 119.950 0.011 0.000 2.939 291 F HA 0.611 5.138 4.527 0.001 0.000 0.327 291 F C 1.120 176.903 175.800 -0.028 0.000 1.276 291 F CA -0.519 57.472 58.000 -0.016 0.000 0.973 291 F CB -0.832 38.144 39.000 -0.040 0.000 1.460 291 F HN -0.252 nan 8.300 nan 0.000 0.499 292 A N 0.984 123.671 122.820 -0.222 0.000 2.067 292 A HA 0.284 4.604 4.320 0.001 0.000 0.219 292 A C 2.250 179.820 177.584 -0.024 0.000 1.158 292 A CA 1.414 53.354 52.037 -0.163 0.000 0.661 292 A CB -0.808 18.121 19.000 -0.117 0.000 0.801 292 A HN 0.718 nan 8.150 nan 0.000 0.452 293 A N -1.046 121.786 122.820 0.019 0.000 2.172 293 A HA -0.130 4.191 4.320 0.001 0.000 0.216 293 A C 2.000 179.616 177.584 0.054 0.000 1.154 293 A CA 1.560 53.620 52.037 0.037 0.000 0.701 293 A CB -0.306 18.719 19.000 0.042 0.000 0.789 293 A HN 0.664 nan 8.150 nan 0.000 0.465 294 Q N -0.829 119.022 119.800 0.085 0.000 2.396 294 Q HA 0.233 4.574 4.340 0.001 0.000 0.220 294 Q C 0.017 176.070 176.000 0.088 0.000 0.900 294 Q CA -0.244 55.618 55.803 0.098 0.000 0.925 294 Q CB 0.143 28.970 28.738 0.148 0.000 1.065 294 Q HN 0.624 nan 8.270 nan 0.000 0.535 295 I N 2.190 122.814 120.570 0.089 0.000 2.752 295 I HA -0.115 4.056 4.170 0.001 0.000 0.289 295 I C 0.999 177.136 176.117 0.033 0.000 1.197 295 I CA 0.794 62.129 61.300 0.057 0.000 1.432 295 I CB 0.494 38.497 38.000 0.006 0.000 1.359 295 I HN 0.232 nan 8.210 nan 0.000 0.571 296 R N 4.115 124.632 120.500 0.028 0.000 2.469 296 R HA 0.259 4.599 4.340 0.001 0.000 0.250 296 R C 0.094 176.403 176.300 0.015 0.000 0.909 296 R CA -0.196 55.917 56.100 0.022 0.000 1.050 296 R CB 0.708 31.021 30.300 0.020 0.000 1.256 296 R HN 0.461 nan 8.270 nan 0.000 0.550 297 K N 1.035 121.441 120.400 0.010 0.000 2.525 297 K HA 0.415 4.736 4.320 0.001 0.000 0.254 297 K C -2.043 174.556 176.600 -0.002 0.000 0.934 297 K CA -0.652 55.637 56.287 0.003 0.000 0.802 297 K CB 1.870 34.367 32.500 -0.006 0.000 1.295 297 K HN -0.173 nan 8.250 nan 0.000 0.433 298 L N 2.849 124.071 121.223 -0.003 0.000 2.438 298 L HA 0.376 4.717 4.340 0.001 0.000 0.270 298 L C -1.452 175.417 176.870 -0.003 0.000 0.972 298 L CA -0.250 54.583 54.840 -0.010 0.000 0.831 298 L CB 2.004 44.050 42.059 -0.021 0.000 1.273 298 L HN 0.606 nan 8.230 nan 0.000 0.405 299 D N 4.322 124.724 120.400 0.003 0.000 2.736 299 D HA 0.264 4.905 4.640 0.001 0.000 0.293 299 D C 0.423 176.729 176.300 0.009 0.000 1.241 299 D CA -0.054 53.959 54.000 0.022 0.000 0.965 299 D CB 0.340 41.184 40.800 0.073 0.000 0.992 299 D HN 0.475 nan 8.370 nan 0.000 0.510 300 L N 1.825 123.033 121.223 -0.025 0.000 2.747 300 L HA 0.033 4.373 4.340 0.001 0.000 0.248 300 L C 1.900 178.723 176.870 -0.078 0.000 1.191 300 L CA -0.252 54.560 54.840 -0.047 0.000 1.003 300 L CB 0.010 42.032 42.059 -0.061 0.000 1.235 300 L HN 0.274 nan 8.230 nan 0.000 0.426 301 L N -0.245 120.868 121.223 -0.183 0.000 2.056 301 L HA -0.157 4.183 4.340 0.001 0.000 0.207 301 L C 1.448 177.985 176.870 -0.554 0.000 1.078 301 L CA 2.132 56.695 54.840 -0.461 0.000 0.749 301 L CB -0.531 41.042 42.059 -0.810 0.000 0.901 301 L HN 0.350 nan 8.230 nan 0.000 0.433 302 Y N -0.929 119.340 120.300 -0.052 0.000 2.658 302 Y HA 0.472 5.023 4.550 0.001 0.000 0.276 302 Y C 0.940 176.754 175.900 -0.143 0.000 1.167 302 Y CA -0.358 57.655 58.100 -0.145 0.000 1.230 302 Y CB -0.251 38.046 38.460 -0.271 0.000 1.144 302 Y HN 0.063 nan 8.280 nan 0.000 0.529 303 A N 0.449 123.275 122.820 0.010 0.000 2.351 303 A HA 0.417 4.738 4.320 0.001 0.000 0.257 303 A C 0.068 177.687 177.584 0.057 0.000 1.087 303 A CA -0.219 51.828 52.037 0.016 0.000 0.798 303 A CB 0.492 19.468 19.000 -0.039 0.000 1.033 303 A HN 0.328 nan 8.150 nan 0.000 0.488 304 L N 1.986 123.256 121.223 0.078 0.000 3.034 304 L HA 0.287 4.628 4.340 0.001 0.000 0.245 304 L C 0.006 176.921 176.870 0.074 0.000 1.295 304 L CA 0.492 55.394 54.840 0.104 0.000 1.068 304 L CB -0.709 41.437 42.059 0.146 0.000 1.426 304 L HN 0.664 nan 8.230 nan 0.000 0.531 305 L N -2.719 118.534 121.223 0.050 0.000 2.333 305 L HA 0.717 5.058 4.340 0.001 0.000 0.269 305 L C -0.384 176.574 176.870 0.147 0.000 1.010 305 L CA -0.683 54.182 54.840 0.042 0.000 0.818 305 L CB 1.905 43.931 42.059 -0.055 0.000 1.306 305 L HN 0.073 nan 8.230 nan 0.000 0.430 306 E N 0.148 120.440 120.200 0.154 0.000 2.254 306 E HA 0.159 4.510 4.350 0.001 0.000 0.261 306 E C 0.347 177.097 176.600 0.249 0.000 1.051 306 E CA -0.585 55.921 56.400 0.176 0.000 0.902 306 E CB 1.603 31.360 29.700 0.096 0.000 1.168 306 E HN 0.739 nan 8.360 nan 0.000 0.423 307 T N 0.157 114.781 114.554 0.117 0.000 2.714 307 T HA -0.300 4.050 4.350 0.001 0.000 0.268 307 T C 1.620 176.383 174.700 0.104 0.000 1.036 307 T CA 2.342 64.466 62.100 0.041 0.000 1.148 307 T CB -0.116 68.741 68.868 -0.017 0.000 0.856 307 T HN 0.565 nan 8.240 nan 0.000 0.462 308 E N -0.299 119.957 120.200 0.094 0.000 2.028 308 E HA -0.136 4.214 4.350 0.001 0.000 0.191 308 E C 1.947 178.603 176.600 0.094 0.000 0.988 308 E CA 1.399 57.845 56.400 0.077 0.000 0.799 308 E CB -0.091 29.642 29.700 0.055 0.000 0.755 308 E HN 0.543 nan 8.360 nan 0.000 0.447 309 D N 0.064 120.525 120.400 0.102 0.000 2.182 309 D HA -0.198 4.443 4.640 0.001 0.000 0.201 309 D C 1.815 178.145 176.300 0.050 0.000 0.986 309 D CA 0.967 55.009 54.000 0.069 0.000 0.847 309 D CB -0.409 40.416 40.800 0.042 0.000 0.942 309 D HN 0.423 nan 8.370 nan 0.000 0.467 310 H N 0.081 119.160 119.070 0.015 0.000 2.319 310 H HA -0.096 4.460 4.556 0.001 0.000 0.299 310 H C 2.430 177.761 175.328 0.004 0.000 1.092 310 H CA 1.315 57.367 56.048 0.008 0.000 1.302 310 H CB -0.162 29.606 29.762 0.009 0.000 1.373 310 H HN 0.248 nan 8.280 nan 0.000 0.497 311 C N 0.252 119.634 119.300 0.137 0.000 2.429 311 C HA -0.125 4.336 4.460 0.001 0.000 0.277 311 C C 3.119 178.107 174.990 -0.004 0.000 1.262 311 C CA 1.508 60.561 59.018 0.059 0.000 1.733 311 C CB -1.117 26.654 27.740 0.051 0.000 2.010 311 C HN 0.732 nan 8.230 nan 0.000 0.483 312 T N -0.876 113.685 114.554 0.012 0.000 2.962 312 T HA -0.099 4.251 4.350 0.001 0.000 0.270 312 T C 1.623 176.334 174.700 0.018 0.000 1.088 312 T CA 1.278 63.371 62.100 -0.012 0.000 1.127 312 T CB -0.308 68.573 68.868 0.021 0.000 0.883 312 T HN 0.582 nan 8.240 nan 0.000 0.493 313 L N -0.232 121.017 121.223 0.043 0.000 2.189 313 L HA 0.245 4.586 4.340 0.001 0.000 0.199 313 L C 2.593 179.457 176.870 -0.011 0.000 1.074 313 L CA 0.536 55.413 54.840 0.062 0.000 0.783 313 L CB -0.137 41.907 42.059 -0.025 0.000 0.955 313 L HN 0.168 nan 8.230 nan 0.000 0.460 314 I N -0.125 120.432 120.570 -0.021 0.000 2.185 314 I HA -0.376 3.794 4.170 0.001 0.000 0.246 314 I C 2.456 178.516 176.117 -0.095 0.000 1.088 314 I CA 1.430 62.718 61.300 -0.020 0.000 1.347 314 I CB -1.087 36.929 38.000 0.026 0.000 1.041 314 I HN 0.537 nan 8.210 nan 0.000 0.415 315 Q N 1.654 121.325 119.800 -0.215 0.000 2.248 315 Q HA -0.211 4.130 4.340 0.001 0.000 0.208 315 Q C 1.787 177.555 176.000 -0.387 0.000 0.984 315 Q CA 1.532 57.002 55.803 -0.555 0.000 0.875 315 Q CB 0.043 28.455 28.738 -0.543 0.000 0.910 315 Q HN 0.597 nan 8.270 nan 0.000 0.433 316 K N -1.321 118.980 120.400 -0.165 0.000 2.393 316 K HA 0.102 4.423 4.320 0.001 0.000 0.193 316 K C 0.452 177.031 176.600 -0.034 0.000 1.026 316 K CA 0.067 56.304 56.287 -0.083 0.000 1.064 316 K CB 0.678 33.179 32.500 0.002 0.000 0.833 316 K HN 0.084 nan 8.250 nan 0.000 0.521 317 C N 3.245 122.530 119.300 -0.025 0.000 2.566 317 C HA 0.236 4.696 4.460 0.001 0.000 0.300 317 C C -1.246 173.768 174.990 0.040 0.000 1.147 317 C CA -1.407 57.614 59.018 0.004 0.000 1.644 317 C CB 0.269 28.005 27.740 -0.007 0.000 1.691 317 C HN 0.238 nan 8.230 nan 0.000 0.440 318 P HA -0.081 nan 4.420 nan 0.000 0.223 318 P C 0.729 178.067 177.300 0.063 0.000 1.151 318 P CA 1.449 64.602 63.100 0.087 0.000 0.787 318 P CB 0.319 32.069 31.700 0.084 0.000 0.788 319 N N -0.564 118.164 118.700 0.048 0.000 2.236 319 N HA 0.069 4.809 4.740 0.001 0.000 0.196 319 N C 0.577 176.110 175.510 0.037 0.000 1.114 319 N CA -0.311 52.763 53.050 0.040 0.000 0.859 319 N CB 0.025 38.534 38.487 0.036 0.000 0.982 319 N HN 0.142 nan 8.380 nan 0.000 0.493 320 L N 2.827 124.072 121.223 0.037 0.000 2.628 320 L HA -0.087 4.254 4.340 0.001 0.000 0.274 320 L C 1.331 178.224 176.870 0.039 0.000 1.209 320 L CA 0.742 55.602 54.840 0.034 0.000 0.930 320 L CB 0.424 42.503 42.059 0.034 0.000 1.183 320 L HN 0.247 nan 8.230 nan 0.000 0.492 321 E N 3.501 123.721 120.200 0.033 0.000 2.562 321 E HA 0.216 4.567 4.350 0.001 0.000 0.214 321 E C -0.591 176.031 176.600 0.037 0.000 0.979 321 E CA -0.200 56.222 56.400 0.037 0.000 1.002 321 E CB 0.560 30.279 29.700 0.032 0.000 1.048 321 E HN 0.352 nan 8.360 nan 0.000 0.488 322 V N 2.027 121.958 119.914 0.029 0.000 2.612 322 V HA 0.376 4.497 4.120 0.001 0.000 0.301 322 V C -1.404 174.706 176.094 0.027 0.000 1.059 322 V CA -0.948 61.367 62.300 0.025 0.000 0.886 322 V CB 1.918 33.741 31.823 -0.001 0.000 1.007 322 V HN 0.252 nan 8.190 nan 0.000 0.426 323 L N 4.157 125.405 121.223 0.042 0.000 2.385 323 L HA 0.759 5.099 4.340 0.001 0.000 0.273 323 L C -0.630 176.270 176.870 0.050 0.000 0.990 323 L CA 0.176 55.042 54.840 0.043 0.000 0.821 323 L CB 2.102 44.195 42.059 0.057 0.000 1.279 323 L HN 0.725 nan 8.230 nan 0.000 0.412 324 E N 3.236 123.456 120.200 0.033 0.000 2.224 324 E HA 0.631 4.981 4.350 0.001 0.000 0.265 324 E C -1.164 175.442 176.600 0.009 0.000 0.878 324 E CA -0.626 55.790 56.400 0.028 0.000 0.759 324 E CB 2.260 31.965 29.700 0.009 0.000 1.164 324 E HN 0.675 nan 8.360 nan 0.000 0.414 325 T N 1.217 115.782 114.554 0.019 0.000 2.769 325 T HA 0.352 4.703 4.350 0.001 0.000 0.306 325 T C -1.051 173.651 174.700 0.003 0.000 1.400 325 T CA -0.724 61.392 62.100 0.026 0.000 1.007 325 T CB 1.185 70.135 68.868 0.135 0.000 1.392 325 T HN 0.348 nan 8.240 nan 0.000 0.500 326 R N 1.151 121.650 120.500 -0.003 0.000 2.580 326 R HA 0.311 4.652 4.340 0.001 0.000 0.267 326 R C 1.537 177.811 176.300 -0.043 0.000 1.125 326 R CA -0.013 56.066 56.100 -0.034 0.000 1.188 326 R CB 0.181 30.457 30.300 -0.039 0.000 1.155 326 R HN 0.851 nan 8.270 nan 0.000 0.586 327 N N -0.540 118.131 118.700 -0.047 0.000 2.571 327 N HA -0.084 4.656 4.740 0.001 0.000 0.189 327 N C 0.938 176.394 175.510 -0.090 0.000 1.154 327 N CA 0.021 53.043 53.050 -0.047 0.000 0.907 327 N CB 0.070 38.548 38.487 -0.014 0.000 0.977 327 N HN 0.148 nan 8.380 nan 0.000 0.449 328 V N 1.022 120.863 119.914 -0.122 0.000 2.490 328 V HA -0.225 3.895 4.120 0.001 0.000 0.250 328 V C 2.337 178.208 176.094 -0.372 0.000 1.061 328 V CA 1.055 63.251 62.300 -0.174 0.000 1.064 328 V CB -0.618 31.142 31.823 -0.105 0.000 0.670 328 V HN 0.361 nan 8.190 nan 0.000 0.461 329 I N 0.846 121.082 120.570 -0.556 0.000 2.182 329 I HA -0.166 4.005 4.170 0.001 0.000 0.248 329 I C 1.288 177.254 176.117 -0.251 0.000 1.073 329 I CA 1.591 62.543 61.300 -0.580 0.000 1.335 329 I CB -0.830 37.027 38.000 -0.239 0.000 1.031 329 I HN 0.517 nan 8.210 nan 0.000 0.420 330 G N -0.457 108.254 108.800 -0.148 0.000 2.819 330 G HA2 -0.266 3.694 3.960 0.001 0.000 0.682 330 G HA3 -0.266 3.694 3.960 0.001 0.000 0.682 330 G C 0.393 175.274 174.900 -0.030 0.000 1.481 330 G CA -0.034 45.024 45.100 -0.070 0.000 0.904 330 G HN 0.305 nan 8.290 nan 0.000 0.563 331 D N 0.112 120.507 120.400 -0.008 0.000 2.133 331 D HA -0.131 4.510 4.640 0.001 0.000 0.195 331 D C 2.390 178.699 176.300 0.016 0.000 0.997 331 D CA 1.560 55.566 54.000 0.010 0.000 0.840 331 D CB -0.025 40.784 40.800 0.015 0.000 0.947 331 D HN 0.566 nan 8.370 nan 0.000 0.452 332 R N 0.486 120.993 120.500 0.012 0.000 2.083 332 R HA -0.127 4.213 4.340 0.001 0.000 0.237 332 R C 2.380 178.700 176.300 0.034 0.000 1.137 332 R CA 1.930 58.044 56.100 0.024 0.000 0.951 332 R CB -0.601 29.712 30.300 0.022 0.000 0.851 332 R HN 0.167 nan 8.270 nan 0.000 0.434 333 G N 0.865 109.677 108.800 0.019 0.000 2.446 333 G HA2 -0.259 3.701 3.960 0.001 0.000 0.217 333 G HA3 -0.259 3.701 3.960 0.001 0.000 0.217 333 G C 1.451 176.383 174.900 0.053 0.000 1.168 333 G CA 0.946 46.068 45.100 0.037 0.000 0.771 333 G HN 0.278 nan 8.290 nan 0.000 0.551 334 L N 0.128 121.373 121.223 0.038 0.000 2.079 334 L HA -0.097 4.244 4.340 0.001 0.000 0.210 334 L C 2.890 179.796 176.870 0.060 0.000 1.081 334 L CA 1.336 56.206 54.840 0.050 0.000 0.752 334 L CB -0.360 41.724 42.059 0.041 0.000 0.896 334 L HN 0.307 nan 8.230 nan 0.000 0.433 335 E N -0.557 119.676 120.200 0.056 0.000 2.110 335 E HA -0.182 4.168 4.350 0.001 0.000 0.193 335 E C 2.244 178.899 176.600 0.092 0.000 0.988 335 E CA 1.299 57.733 56.400 0.057 0.000 0.804 335 E CB -0.045 29.683 29.700 0.048 0.000 0.745 335 E HN 0.311 nan 8.360 nan 0.000 0.458 336 V N 1.277 121.266 119.914 0.124 0.000 2.343 336 V HA -0.226 3.894 4.120 0.001 0.000 0.247 336 V C 2.247 178.501 176.094 0.266 0.000 1.051 336 V CA 1.259 63.691 62.300 0.221 0.000 1.036 336 V CB -0.355 31.552 31.823 0.140 0.000 0.654 336 V HN 0.228 nan 8.190 nan 0.000 0.451 337 L N 0.660 121.977 121.223 0.156 0.000 2.362 337 L HA 0.043 4.383 4.340 0.001 0.000 0.219 337 L C 2.297 179.232 176.870 0.108 0.000 1.134 337 L CA 1.819 56.740 54.840 0.135 0.000 0.807 337 L CB -0.682 41.435 42.059 0.097 0.000 0.927 337 L HN 0.218 nan 8.230 nan 0.000 0.447 338 A N -0.834 122.034 122.820 0.080 0.000 1.970 338 A HA -0.124 4.196 4.320 0.001 0.000 0.216 338 A C 2.055 179.625 177.584 -0.022 0.000 1.170 338 A CA 1.335 53.386 52.037 0.024 0.000 0.645 338 A CB -0.317 18.688 19.000 0.008 0.000 0.816 338 A HN 0.621 nan 8.150 nan 0.000 0.447 339 Q N -2.412 117.353 119.800 -0.059 0.000 2.189 339 Q HA 0.154 4.494 4.340 0.001 0.000 0.223 339 Q C 0.489 176.304 176.000 -0.309 0.000 0.828 339 Q CA 0.073 55.759 55.803 -0.195 0.000 0.967 339 Q CB -0.057 28.518 28.738 -0.273 0.000 1.139 339 Q HN 0.662 nan 8.270 nan 0.000 0.497 340 Y N 0.131 120.433 120.300 0.004 0.000 2.500 340 Y HA 0.207 4.757 4.550 0.001 0.000 0.284 340 Y C 0.966 176.872 175.900 0.009 0.000 1.118 340 Y CA 0.163 58.267 58.100 0.006 0.000 1.241 340 Y CB 1.001 39.466 38.460 0.009 0.000 1.171 340 Y HN 0.163 nan 8.280 nan 0.000 0.540 341 C N 2.282 121.678 119.300 0.159 0.000 2.250 341 C HA 0.365 4.826 4.460 0.001 0.000 0.319 341 C C 0.995 176.021 174.990 0.059 0.000 1.124 341 C CA -1.316 57.761 59.018 0.098 0.000 1.527 341 C CB 0.098 27.894 27.740 0.093 0.000 2.001 341 C HN 0.289 nan 8.230 nan 0.000 0.435 342 K N 0.923 121.346 120.400 0.039 0.000 2.361 342 K HA -0.001 4.320 4.320 0.001 0.000 0.196 342 K C 1.562 178.181 176.600 0.030 0.000 1.039 342 K CA 0.772 57.071 56.287 0.021 0.000 1.001 342 K CB 0.172 32.674 32.500 0.003 0.000 0.795 342 K HN 0.629 nan 8.250 nan 0.000 0.495 343 Q N 0.575 120.398 119.800 0.037 0.000 2.472 343 Q HA 0.031 4.371 4.340 0.001 0.000 0.208 343 Q C 0.617 176.644 176.000 0.045 0.000 0.958 343 Q CA -0.055 55.771 55.803 0.038 0.000 0.932 343 Q CB -0.536 28.224 28.738 0.036 0.000 1.007 343 Q HN 0.140 nan 8.270 nan 0.000 0.508 344 L N 2.153 123.408 121.223 0.052 0.000 2.601 344 L HA -0.141 4.199 4.340 0.001 0.000 0.277 344 L C 1.079 177.991 176.870 0.070 0.000 1.219 344 L CA 0.987 55.864 54.840 0.062 0.000 0.915 344 L CB 0.498 42.598 42.059 0.069 0.000 1.160 344 L HN -0.045 nan 8.230 nan 0.000 0.494 345 K N 4.337 124.781 120.400 0.074 0.000 2.436 345 K HA 0.274 4.595 4.320 0.001 0.000 0.198 345 K C -0.057 176.617 176.600 0.123 0.000 1.174 345 K CA 0.231 56.571 56.287 0.088 0.000 0.951 345 K CB 0.790 33.330 32.500 0.067 0.000 1.040 345 K HN 0.539 nan 8.250 nan 0.000 0.536 346 R N 0.821 121.390 120.500 0.114 0.000 2.574 346 R HA 0.491 4.831 4.340 0.001 0.000 0.288 346 R C -1.441 174.956 176.300 0.161 0.000 1.004 346 R CA -0.777 55.420 56.100 0.163 0.000 0.895 346 R CB 2.037 32.362 30.300 0.041 0.000 1.191 346 R HN -0.098 nan 8.270 nan 0.000 0.444 347 L N 1.536 122.909 121.223 0.249 0.000 2.470 347 L HA 0.555 4.896 4.340 0.001 0.000 0.268 347 L C -1.413 175.595 176.870 0.230 0.000 0.964 347 L CA -0.356 54.594 54.840 0.184 0.000 0.839 347 L CB 2.026 44.166 42.059 0.136 0.000 1.276 347 L HN 0.636 nan 8.230 nan 0.000 0.403 348 R N 5.746 126.353 120.500 0.179 0.000 2.575 348 R HA 0.669 5.010 4.340 0.001 0.000 0.293 348 R C -1.548 174.819 176.300 0.112 0.000 0.983 348 R CA -0.668 55.542 56.100 0.182 0.000 0.887 348 R CB 1.528 31.963 30.300 0.224 0.000 1.184 348 R HN 0.729 nan 8.270 nan 0.000 0.445 349 I N 3.708 124.343 120.570 0.109 0.000 2.750 349 I HA 0.253 4.424 4.170 0.001 0.000 0.279 349 I C 0.019 176.232 176.117 0.161 0.000 1.206 349 I CA -0.612 60.745 61.300 0.095 0.000 1.101 349 I CB 0.954 38.998 38.000 0.074 0.000 1.431 349 I HN 0.477 nan 8.210 nan 0.000 0.551 350 E N 4.049 124.313 120.200 0.107 0.000 2.398 350 E HA 0.083 4.434 4.350 0.001 0.000 0.263 350 E C 0.384 176.899 176.600 -0.142 0.000 1.046 350 E CA -0.252 56.176 56.400 0.047 0.000 0.908 350 E CB 1.355 31.039 29.700 -0.026 0.000 0.963 350 E HN 0.502 nan 8.360 nan 0.000 0.431 351 R N 1.066 121.256 120.500 -0.516 0.000 2.347 351 R HA 0.367 4.707 4.340 0.001 0.000 0.304 351 R C 0.535 176.690 176.300 -0.242 0.000 1.072 351 R CA -0.108 55.746 56.100 -0.410 0.000 0.980 351 R CB 0.587 30.500 30.300 -0.646 0.000 0.986 351 R HN 0.413 nan 8.270 nan 0.000 0.448 352 G N 1.863 110.583 108.800 -0.133 0.000 2.582 352 G HA2 0.389 4.350 3.960 0.001 0.000 0.232 352 G HA3 0.389 4.350 3.960 0.001 0.000 0.232 352 G C -0.623 174.242 174.900 -0.059 0.000 1.458 352 G CA -0.585 44.468 45.100 -0.078 0.000 1.062 352 G HN 0.850 nan 8.290 nan 0.000 0.566 353 A N 0.291 123.095 122.820 -0.026 0.000 2.655 353 A HA 0.349 4.670 4.320 0.001 0.000 0.297 353 A C 0.072 177.646 177.584 -0.017 0.000 1.461 353 A CA -0.153 51.876 52.037 -0.014 0.000 1.146 353 A CB -0.263 18.740 19.000 0.005 0.000 1.108 353 A HN 0.372 nan 8.150 nan 0.000 0.550 354 D N 2.570 122.955 120.400 -0.025 0.000 3.134 354 D HA 0.148 4.788 4.640 0.001 0.000 0.248 354 D C 0.786 177.081 176.300 -0.008 0.000 1.273 354 D CA 0.423 54.412 54.000 -0.019 0.000 0.904 354 D CB 0.475 41.260 40.800 -0.026 0.000 1.089 354 D HN 0.768 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 0.073 4.423 4.350 0.001 0.000 0.180 355 E C 0.179 176.781 176.600 0.003 0.000 1.130 355 E CA -0.297 56.103 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 1.954 121.757 119.800 0.005 0.000 2.664 356 Q HA 0.258 4.599 4.340 0.001 0.000 0.223 356 Q C 0.477 176.480 176.000 0.006 0.000 1.298 356 Q CA 0.543 56.350 55.803 0.007 0.000 0.965 356 Q CB 0.149 28.892 28.738 0.010 0.000 1.510 356 Q HN 0.506 nan 8.270 nan 0.000 0.567 357 G N 1.996 110.798 108.800 0.004 0.000 2.591 357 G HA2 -0.303 3.658 3.960 0.001 0.000 0.278 357 G HA3 -0.303 3.658 3.960 0.001 0.000 0.278 357 G C 0.286 175.186 174.900 0.001 0.000 1.293 357 G CA -0.235 44.867 45.100 0.003 0.000 0.930 357 G HN 0.436 nan 8.290 nan 0.000 0.562 358 M N 0.033 119.633 119.600 0.000 0.000 1.917 358 M HA 0.265 4.746 4.480 0.001 0.000 0.208 358 M C 1.906 178.207 176.300 0.001 0.000 1.215 358 M CA 0.292 55.590 55.300 -0.003 0.000 0.944 358 M CB -0.490 32.106 32.600 -0.006 0.000 1.225 358 M HN 0.719 nan 8.290 nan 0.000 0.519 359 E N 0.073 120.273 120.200 -0.000 0.000 2.435 359 E HA -0.066 4.284 4.350 0.001 0.000 0.195 359 E C -0.672 175.937 176.600 0.014 0.000 1.029 359 E CA 0.530 56.936 56.400 0.010 0.000 0.865 359 E CB 0.219 29.927 29.700 0.013 0.000 0.833 359 E HN 0.599 nan 8.360 nan 0.000 0.510 360 D N -1.134 119.269 120.400 0.006 0.000 2.946 360 D HA 0.026 4.666 4.640 0.001 0.000 0.337 360 D C 0.039 176.341 176.300 0.005 0.000 1.332 360 D CA -0.634 53.372 54.000 0.009 0.000 0.935 360 D CB 0.003 40.812 40.800 0.014 0.000 1.440 360 D HN -0.241 nan 8.370 nan 0.000 0.540 361 E N -0.889 119.315 120.200 0.007 0.000 2.474 361 E HA 0.141 4.492 4.350 0.001 0.000 0.195 361 E C 0.129 176.731 176.600 0.003 0.000 1.039 361 E CA 0.453 56.856 56.400 0.005 0.000 0.881 361 E CB 0.187 29.892 29.700 0.008 0.000 0.970 361 E HN 0.469 nan 8.360 nan 0.000 0.486 362 E N -1.617 118.583 120.200 0.000 0.000 2.562 362 E HA 0.169 4.520 4.350 0.001 0.000 0.214 362 E C 0.949 177.539 176.600 -0.017 0.000 0.979 362 E CA 0.223 56.620 56.400 -0.004 0.000 1.002 362 E CB 0.946 30.645 29.700 -0.001 0.000 1.048 362 E HN 0.127 nan 8.360 nan 0.000 0.488 363 G N 1.745 110.532 108.800 -0.021 0.000 3.375 363 G HA2 0.232 4.192 3.960 0.001 0.000 0.247 363 G HA3 0.232 4.192 3.960 0.001 0.000 0.247 363 G C -0.143 174.741 174.900 -0.026 0.000 1.343 363 G CA 0.129 45.207 45.100 -0.036 0.000 1.368 363 G HN -0.089 nan 8.290 nan 0.000 0.549 364 L N 0.069 121.282 121.223 -0.016 0.000 2.362 364 L HA 0.611 4.952 4.340 0.001 0.000 0.271 364 L C 0.003 176.871 176.870 -0.003 0.000 1.002 364 L CA -1.236 53.600 54.840 -0.006 0.000 0.818 364 L CB 2.241 44.301 42.059 0.001 0.000 1.298 364 L HN -0.004 nan 8.230 nan 0.000 0.420 365 V N -0.697 119.221 119.914 0.007 0.000 2.628 365 V HA 1.032 5.153 4.120 0.001 0.000 0.306 365 V C -0.103 176.005 176.094 0.024 0.000 1.045 365 V CA -0.412 61.897 62.300 0.014 0.000 0.905 365 V CB 1.363 33.197 31.823 0.018 0.000 0.997 365 V HN 0.914 nan 8.190 nan 0.000 0.436 366 S N 2.012 117.729 115.700 0.029 0.000 2.688 366 S HA 0.424 4.895 4.470 0.001 0.000 0.275 366 S C 0.489 175.116 174.600 0.044 0.000 1.175 366 S CA -0.332 57.888 58.200 0.034 0.000 0.818 366 S CB 1.680 64.896 63.200 0.027 0.000 1.157 366 S HN 0.697 nan 8.310 nan 0.000 0.482 367 Q N 0.834 120.662 119.800 0.048 0.000 2.224 367 Q HA -0.192 4.148 4.340 0.001 0.000 0.213 367 Q C 1.998 178.029 176.000 0.053 0.000 0.998 367 Q CA 2.348 58.184 55.803 0.056 0.000 0.895 367 Q CB -0.531 28.237 28.738 0.050 0.000 0.926 367 Q HN 0.707 nan 8.270 nan 0.000 0.417 368 R N 0.189 120.714 120.500 0.042 0.000 2.082 368 R HA -0.136 4.204 4.340 0.001 0.000 0.234 368 R C 2.378 178.702 176.300 0.041 0.000 1.136 368 R CA 1.819 57.941 56.100 0.038 0.000 0.935 368 R CB -0.836 29.482 30.300 0.030 0.000 0.842 368 R HN 0.423 nan 8.270 nan 0.000 0.430 369 G N 0.796 109.620 108.800 0.040 0.000 2.402 369 G HA2 -0.221 3.740 3.960 0.001 0.000 0.216 369 G HA3 -0.221 3.740 3.960 0.001 0.000 0.216 369 G C 1.509 176.442 174.900 0.055 0.000 1.162 369 G CA 0.687 45.812 45.100 0.042 0.000 0.777 369 G HN 0.234 nan 8.290 nan 0.000 0.539 370 L N -0.005 121.258 121.223 0.066 0.000 1.963 370 L HA -0.127 4.214 4.340 0.001 0.000 0.220 370 L C 2.724 179.648 176.870 0.091 0.000 1.076 370 L CA 1.483 56.376 54.840 0.089 0.000 0.772 370 L CB -0.354 41.767 42.059 0.105 0.000 0.892 370 L HN 0.239 nan 8.230 nan 0.000 0.435 371 I N -0.752 119.868 120.570 0.084 0.000 2.567 371 I HA -0.264 3.907 4.170 0.001 0.000 0.257 371 I C 2.459 178.616 176.117 0.067 0.000 1.184 371 I CA 1.080 62.434 61.300 0.090 0.000 1.451 371 I CB -0.000 38.050 38.000 0.084 0.000 1.089 371 I HN 0.252 nan 8.210 nan 0.000 0.441 372 A N 0.393 123.241 122.820 0.047 0.000 1.898 372 A HA -0.189 4.132 4.320 0.001 0.000 0.216 372 A C 2.146 179.737 177.584 0.011 0.000 1.181 372 A CA 1.577 53.627 52.037 0.022 0.000 0.620 372 A CB -0.775 18.240 19.000 0.026 0.000 0.819 372 A HN 0.481 nan 8.150 nan 0.000 0.442 373 L N -0.251 120.995 121.223 0.038 0.000 2.072 373 L HA 0.063 4.403 4.340 0.001 0.000 0.205 373 L C 2.604 179.497 176.870 0.038 0.000 1.079 373 L CA 2.036 56.902 54.840 0.043 0.000 0.752 373 L CB -0.776 41.324 42.059 0.069 0.000 0.906 373 L HN 0.315 nan 8.230 nan 0.000 0.436 374 A N -1.016 121.845 122.820 0.069 0.000 2.032 374 A HA -0.269 4.051 4.320 0.001 0.000 0.221 374 A C 2.159 179.734 177.584 -0.015 0.000 1.165 374 A CA 2.100 54.202 52.037 0.108 0.000 0.645 374 A CB -0.489 18.627 19.000 0.194 0.000 0.807 374 A HN 0.719 nan 8.150 nan 0.000 0.453 375 Q N -1.321 118.385 119.800 -0.157 0.000 2.204 375 Q HA 0.053 4.393 4.340 0.001 0.000 0.198 375 Q C 2.288 178.113 176.000 -0.292 0.000 0.946 375 Q CA 0.707 56.229 55.803 -0.469 0.000 0.859 375 Q CB -0.248 28.266 28.738 -0.373 0.000 0.946 375 Q HN 0.626 nan 8.270 nan 0.000 0.474 376 G N 1.050 109.766 108.800 -0.140 0.000 2.464 376 G HA2 -0.166 3.795 3.960 0.001 0.000 0.214 376 G HA3 -0.166 3.795 3.960 0.001 0.000 0.214 376 G C 0.487 175.354 174.900 -0.056 0.000 1.218 376 G CA 0.613 45.659 45.100 -0.090 0.000 0.794 376 G HN 0.401 nan 8.290 nan 0.000 0.542 377 C N 1.191 120.483 119.300 -0.015 0.000 2.146 377 C HA 0.533 4.993 4.460 0.001 0.000 0.338 377 C C 0.943 175.953 174.990 0.033 0.000 1.074 377 C CA -0.791 58.238 59.018 0.018 0.000 1.527 377 C CB -0.203 27.564 27.740 0.046 0.000 1.915 377 C HN 0.510 nan 8.230 nan 0.000 0.453 378 Q N 0.176 119.990 119.800 0.023 0.000 2.280 378 Q HA 0.043 4.383 4.340 0.001 0.000 0.202 378 Q C 1.326 177.365 176.000 0.065 0.000 0.903 378 Q CA 0.452 56.287 55.803 0.053 0.000 0.948 378 Q CB 0.379 29.145 28.738 0.047 0.000 1.058 378 Q HN 0.754 nan 8.270 nan 0.000 0.493 379 E N 0.208 120.444 120.200 0.060 0.000 2.474 379 E HA 0.091 4.441 4.350 0.001 0.000 0.195 379 E C -0.096 176.553 176.600 0.081 0.000 1.039 379 E CA -0.158 56.280 56.400 0.064 0.000 0.881 379 E CB 0.500 30.231 29.700 0.052 0.000 0.970 379 E HN 0.343 nan 8.360 nan 0.000 0.486 380 L N 1.873 123.153 121.223 0.095 0.000 2.640 380 L HA -0.112 4.229 4.340 0.001 0.000 0.280 380 L C 1.167 178.119 176.870 0.137 0.000 1.229 380 L CA 0.924 55.838 54.840 0.123 0.000 0.919 380 L CB 0.227 42.368 42.059 0.138 0.000 1.168 380 L HN 0.154 nan 8.230 nan 0.000 0.496 381 E N 2.520 122.816 120.200 0.160 0.000 2.399 381 E HA 0.036 4.386 4.350 0.001 0.000 0.205 381 E C -0.828 175.923 176.600 0.251 0.000 0.906 381 E CA 0.042 56.547 56.400 0.174 0.000 0.998 381 E CB 0.848 30.635 29.700 0.145 0.000 1.002 381 E HN 0.493 nan 8.360 nan 0.000 0.501 382 Y N 1.183 121.551 120.300 0.113 0.000 2.386 382 Y HA 0.502 5.053 4.550 0.001 0.000 0.334 382 Y C -1.449 174.518 175.900 0.112 0.000 1.002 382 Y CA -0.937 57.235 58.100 0.119 0.000 1.068 382 Y CB 1.368 39.880 38.460 0.086 0.000 1.203 382 Y HN -0.202 nan 8.280 nan 0.000 0.443 383 M N 6.197 125.704 119.600 -0.155 0.000 2.183 383 M HA 0.802 5.283 4.480 0.001 0.000 0.277 383 M C -2.039 174.019 176.300 -0.403 0.000 0.995 383 M CA -0.510 54.732 55.300 -0.097 0.000 0.969 383 M CB 1.363 34.024 32.600 0.102 0.000 1.659 383 M HN 0.871 nan 8.290 nan 0.000 0.462 384 A N 4.679 127.330 122.820 -0.282 0.000 2.359 384 A HA 0.834 5.155 4.320 0.001 0.000 0.303 384 A C -1.681 175.814 177.584 -0.149 0.000 1.066 384 A CA -0.547 51.304 52.037 -0.310 0.000 0.730 384 A CB 1.680 20.553 19.000 -0.212 0.000 1.211 384 A HN 0.598 nan 8.150 nan 0.000 0.439 385 V N 2.635 122.407 119.914 -0.237 0.000 2.711 385 V HA 0.282 4.403 4.120 0.001 0.000 0.304 385 V C -1.617 174.379 176.094 -0.164 0.000 1.097 385 V CA -0.398 61.832 62.300 -0.116 0.000 0.906 385 V CB 1.824 33.588 31.823 -0.099 0.000 1.015 385 V HN 0.814 nan 8.190 nan 0.000 0.427 386 Y N 3.552 123.808 120.300 -0.073 0.000 2.535 386 Y HA 0.507 5.058 4.550 0.001 0.000 0.349 386 Y C 0.303 176.173 175.900 -0.049 0.000 0.992 386 Y CA -0.032 58.027 58.100 -0.068 0.000 1.248 386 Y CB 1.640 40.066 38.460 -0.057 0.000 1.124 386 Y HN 0.457 nan 8.280 nan 0.000 0.520 387 V N 2.464 122.409 119.914 0.052 0.000 2.837 387 V HA 0.263 4.383 4.120 0.001 0.000 0.310 387 V C 0.484 176.601 176.094 0.039 0.000 1.059 387 V CA 0.028 62.350 62.300 0.036 0.000 1.004 387 V CB 2.017 33.847 31.823 0.013 0.000 1.045 387 V HN 0.830 nan 8.190 nan 0.000 0.465 388 S N 2.498 118.216 115.700 0.030 0.000 2.524 388 S HA 0.272 4.743 4.470 0.001 0.000 0.215 388 S C -0.298 174.312 174.600 0.016 0.000 0.986 388 S CA -0.019 58.195 58.200 0.023 0.000 0.911 388 S CB 0.033 63.244 63.200 0.018 0.000 0.805 388 S HN 0.866 nan 8.310 nan 0.000 0.501 389 D N 0.269 120.679 120.400 0.017 0.000 2.687 389 D HA 0.368 5.008 4.640 0.001 0.000 0.213 389 D C -1.596 174.720 176.300 0.026 0.000 1.218 389 D CA -0.525 53.485 54.000 0.017 0.000 0.768 389 D CB 0.653 41.463 40.800 0.016 0.000 1.855 389 D HN 0.021 nan 8.370 nan 0.000 0.508 390 I N 0.016 120.603 120.570 0.029 0.000 3.294 390 I HA 0.884 5.055 4.170 0.001 0.000 0.311 390 I C -0.231 175.916 176.117 0.051 0.000 1.111 390 I CA -0.836 60.493 61.300 0.047 0.000 0.976 390 I CB 1.858 39.895 38.000 0.061 0.000 1.260 390 I HN 0.255 nan 8.210 nan 0.000 0.474 391 T N -0.274 114.319 114.554 0.064 0.000 2.956 391 T HA 0.352 4.703 4.350 0.001 0.000 0.312 391 T C 0.394 175.137 174.700 0.073 0.000 1.151 391 T CA -0.558 61.578 62.100 0.060 0.000 1.024 391 T CB 0.990 69.887 68.868 0.049 0.000 1.140 391 T HN 0.682 nan 8.240 nan 0.000 0.473 392 N N 1.899 120.640 118.700 0.069 0.000 2.132 392 N HA -0.180 4.561 4.740 0.001 0.000 0.191 392 N C 1.542 177.080 175.510 0.047 0.000 1.015 392 N CA 1.578 54.668 53.050 0.067 0.000 0.864 392 N CB 0.051 38.571 38.487 0.054 0.000 1.006 392 N HN 0.767 nan 8.380 nan 0.000 0.430 393 E N 0.940 121.164 120.200 0.040 0.000 2.077 393 E HA -0.159 4.192 4.350 0.001 0.000 0.193 393 E C 1.984 178.608 176.600 0.039 0.000 0.989 393 E CA 1.451 57.869 56.400 0.030 0.000 0.800 393 E CB 0.105 29.823 29.700 0.031 0.000 0.746 393 E HN 0.402 nan 8.360 nan 0.000 0.452 394 S N 0.935 116.671 115.700 0.059 0.000 2.368 394 S HA -0.153 4.317 4.470 0.001 0.000 0.225 394 S C 2.197 176.842 174.600 0.075 0.000 1.030 394 S CA 1.040 59.286 58.200 0.076 0.000 0.999 394 S CB -0.740 62.514 63.200 0.090 0.000 0.844 394 S HN 0.291 nan 8.310 nan 0.000 0.459 395 L N 1.399 122.667 121.223 0.075 0.000 2.042 395 L HA -0.129 4.212 4.340 0.001 0.000 0.210 395 L C 2.892 179.748 176.870 -0.023 0.000 1.076 395 L CA 1.805 56.670 54.840 0.043 0.000 0.749 395 L CB -0.855 41.247 42.059 0.072 0.000 0.893 395 L HN 0.395 nan 8.230 nan 0.000 0.432 396 E N 0.237 120.422 120.200 -0.025 0.000 2.118 396 E HA -0.187 4.164 4.350 0.001 0.000 0.195 396 E C 2.260 178.811 176.600 -0.083 0.000 0.992 396 E CA 1.632 57.990 56.400 -0.069 0.000 0.804 396 E CB -0.065 29.599 29.700 -0.061 0.000 0.741 396 E HN 0.570 nan 8.360 nan 0.000 0.458 397 S N 0.351 116.034 115.700 -0.029 0.000 2.461 397 S HA -0.026 4.444 4.470 0.001 0.000 0.228 397 S C 1.937 176.563 174.600 0.043 0.000 1.005 397 S CA 0.150 58.347 58.200 -0.005 0.000 0.942 397 S CB -0.009 63.262 63.200 0.119 0.000 0.776 397 S HN 0.069 nan 8.310 nan 0.000 0.514 398 I N 2.966 123.552 120.570 0.026 0.000 2.090 398 I HA -0.066 4.104 4.170 0.001 0.000 0.236 398 I C 2.661 178.755 176.117 -0.038 0.000 1.064 398 I CA 1.764 63.076 61.300 0.019 0.000 1.324 398 I CB -1.943 36.025 38.000 -0.053 0.000 1.044 398 I HN 0.477 nan 8.210 nan 0.000 0.399 399 G N -0.940 107.793 108.800 -0.111 0.000 2.916 399 G HA2 -0.118 3.843 3.960 0.001 0.000 0.205 399 G HA3 -0.118 3.843 3.960 0.001 0.000 0.205 399 G C 1.497 176.315 174.900 -0.138 0.000 1.163 399 G CA 0.901 45.921 45.100 -0.133 0.000 0.821 399 G HN 0.351 nan 8.290 nan 0.000 0.515 400 T N -1.797 112.663 114.554 -0.157 0.000 3.018 400 T HA 0.219 4.569 4.350 0.001 0.000 0.246 400 T C 1.546 176.051 174.700 -0.325 0.000 1.026 400 T CA 0.280 62.205 62.100 -0.293 0.000 1.081 400 T CB 0.183 68.788 68.868 -0.438 0.000 0.970 400 T HN 0.372 nan 8.240 nan 0.000 0.475 401 Y N 0.634 120.924 120.300 -0.017 0.000 2.447 401 Y HA 0.373 4.923 4.550 0.001 0.000 0.286 401 Y C 0.282 176.185 175.900 0.005 0.000 1.153 401 Y CA -0.487 57.611 58.100 -0.003 0.000 1.241 401 Y CB 0.397 38.860 38.460 0.006 0.000 1.284 401 Y HN 0.012 nan 8.280 nan 0.000 0.520 402 L N 0.737 122.069 121.223 0.182 0.000 2.358 402 L HA 0.416 4.757 4.340 0.001 0.000 0.274 402 L C 0.452 177.367 176.870 0.074 0.000 1.136 402 L CA -0.262 54.650 54.840 0.121 0.000 0.970 402 L CB 0.296 42.429 42.059 0.124 0.000 1.314 402 L HN -0.158 nan 8.230 nan 0.000 0.427 403 K N 2.132 122.568 120.400 0.060 0.000 2.062 403 K HA -0.027 4.294 4.320 0.001 0.000 0.205 403 K C 0.944 177.568 176.600 0.040 0.000 1.051 403 K CA 1.170 57.476 56.287 0.032 0.000 0.941 403 K CB -0.126 32.388 32.500 0.024 0.000 0.719 403 K HN 0.805 nan 8.250 nan 0.000 0.440 404 N N 0.866 119.599 118.700 0.057 0.000 2.623 404 N HA 0.018 4.759 4.740 0.001 0.000 0.263 404 N C -0.506 175.057 175.510 0.089 0.000 1.218 404 N CA 0.024 53.113 53.050 0.065 0.000 0.949 404 N CB -0.393 38.131 38.487 0.062 0.000 1.270 404 N HN 0.050 nan 8.380 nan 0.000 0.507 405 L N 0.003 121.282 121.223 0.094 0.000 2.418 405 L HA 0.045 4.385 4.340 0.001 0.000 0.274 405 L C 0.438 177.389 176.870 0.135 0.000 1.135 405 L CA -0.302 54.616 54.840 0.131 0.000 0.870 405 L CB 0.577 42.715 42.059 0.131 0.000 1.154 405 L HN 0.407 nan 8.230 nan 0.000 0.462 406 C N 2.199 121.597 119.300 0.165 0.000 2.535 406 C HA 0.179 4.639 4.460 0.001 0.000 0.310 406 C C 0.624 175.744 174.990 0.218 0.000 1.344 406 C CA -0.058 59.063 59.018 0.171 0.000 1.831 406 C CB -0.002 27.836 27.740 0.163 0.000 2.284 406 C HN 0.726 nan 8.230 nan 0.000 0.523 407 D N -0.207 120.329 120.400 0.226 0.000 2.549 407 D HA 0.378 5.018 4.640 0.001 0.000 0.251 407 D C -1.638 174.720 176.300 0.096 0.000 1.153 407 D CA -0.109 54.007 54.000 0.193 0.000 0.861 407 D CB 1.083 42.007 40.800 0.207 0.000 1.207 407 D HN 0.210 nan 8.370 nan 0.000 0.543 408 F N 4.042 124.014 119.950 0.037 0.000 2.536 408 F HA 0.508 5.035 4.527 0.001 0.000 0.322 408 F C -0.954 174.807 175.800 -0.065 0.000 1.144 408 F CA -0.611 57.388 58.000 -0.002 0.000 0.924 408 F CB 1.031 40.122 39.000 0.150 0.000 1.181 408 F HN 0.152 nan 8.300 nan 0.000 0.438 409 R N 6.908 126.917 120.500 -0.819 0.000 2.575 409 R HA 0.639 4.979 4.340 0.001 0.000 0.293 409 R C -1.987 173.820 176.300 -0.821 0.000 0.983 409 R CA -1.070 54.644 56.100 -0.643 0.000 0.887 409 R CB 2.440 32.539 30.300 -0.335 0.000 1.184 409 R HN 0.555 nan 8.270 nan 0.000 0.445 410 L N 3.851 124.725 121.223 -0.581 0.000 2.409 410 L HA 0.596 4.937 4.340 0.001 0.000 0.272 410 L C -1.506 175.137 176.870 -0.377 0.000 0.980 410 L CA -0.759 53.824 54.840 -0.429 0.000 0.826 410 L CB 2.191 44.168 42.059 -0.136 0.000 1.268 410 L HN 0.432 nan 8.230 nan 0.000 0.407 411 V N 5.714 125.389 119.914 -0.398 0.000 2.623 411 V HA 0.396 4.516 4.120 0.001 0.000 0.304 411 V C -0.423 175.572 176.094 -0.165 0.000 1.054 411 V CA -0.761 61.343 62.300 -0.327 0.000 0.882 411 V CB 2.139 33.574 31.823 -0.647 0.000 1.002 411 V HN 0.664 nan 8.190 nan 0.000 0.424 412 L N 4.346 125.534 121.223 -0.057 0.000 2.295 412 L HA 0.714 5.055 4.340 0.001 0.000 0.285 412 L C -0.623 176.281 176.870 0.057 0.000 1.035 412 L CA -0.256 54.582 54.840 -0.004 0.000 0.806 412 L CB 0.949 42.987 42.059 -0.035 0.000 1.214 412 L HN 0.292 nan 8.230 nan 0.000 0.426 413 L N 3.466 124.729 121.223 0.066 0.000 2.455 413 L HA 0.168 4.509 4.340 0.001 0.000 0.272 413 L C 0.976 177.865 176.870 0.033 0.000 1.174 413 L CA 0.501 55.381 54.840 0.066 0.000 0.869 413 L CB 0.159 42.251 42.059 0.056 0.000 1.130 413 L HN 0.717 nan 8.230 nan 0.000 0.474 414 D N 1.673 122.091 120.400 0.030 0.000 2.378 414 D HA -0.103 4.538 4.640 0.001 0.000 0.227 414 D C 1.868 178.165 176.300 -0.006 0.000 1.012 414 D CA 0.290 54.288 54.000 -0.003 0.000 0.905 414 D CB 0.163 40.956 40.800 -0.011 0.000 0.895 414 D HN 0.363 nan 8.370 nan 0.000 0.532 415 R N 1.315 121.817 120.500 0.004 0.000 2.094 415 R HA -0.115 4.226 4.340 0.001 0.000 0.239 415 R C 0.493 176.791 176.300 -0.004 0.000 1.137 415 R CA 1.137 57.237 56.100 0.001 0.000 0.943 415 R CB -0.247 30.055 30.300 0.004 0.000 0.850 415 R HN 0.017 nan 8.270 nan 0.000 0.433 416 E N 0.995 121.193 120.200 -0.003 0.000 2.398 416 E HA -0.045 4.305 4.350 0.001 0.000 0.263 416 E C 0.760 177.352 176.600 -0.012 0.000 1.046 416 E CA 0.056 56.453 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 0.295 nan 8.360 nan 0.000 0.431 417 E N 2.305 122.498 120.200 -0.011 0.000 2.022 417 E HA -0.012 4.338 4.350 0.001 0.000 0.190 417 E C 0.248 176.838 176.600 -0.017 0.000 0.973 417 E CA 0.947 57.338 56.400 -0.015 0.000 0.816 417 E CB 0.054 29.747 29.700 -0.012 0.000 0.781 417 E HN 0.360 nan 8.360 nan 0.000 0.456 418 R N 0.676 121.169 120.500 -0.011 0.000 2.346 418 R HA 0.500 4.841 4.340 0.001 0.000 0.311 418 R C -0.524 175.774 176.300 -0.005 0.000 0.983 418 R CA -0.588 55.507 56.100 -0.009 0.000 0.880 418 R CB 1.104 31.401 30.300 -0.005 0.000 1.100 418 R HN -0.048 nan 8.270 nan 0.000 0.453 419 I N 2.302 122.869 120.570 -0.005 0.000 2.336 419 I HA 0.121 4.292 4.170 0.001 0.000 0.292 419 I C 1.088 177.209 176.117 0.008 0.000 0.991 419 I CA 0.205 61.506 61.300 0.002 0.000 1.227 419 I CB 1.674 39.673 38.000 -0.002 0.000 1.366 419 I HN 0.728 nan 8.210 nan 0.000 0.466 420 T N 3.719 118.281 114.554 0.012 0.000 1.809 420 T HA -0.290 4.060 4.350 0.001 0.000 0.124 420 T C 0.194 174.905 174.700 0.018 0.000 1.995 420 T CA 1.917 64.027 62.100 0.016 0.000 0.991 420 T CB -0.642 68.239 68.868 0.022 0.000 0.854 420 T HN 0.830 nan 8.240 nan 0.000 0.377 421 D N 1.033 121.447 120.400 0.025 0.000 2.198 421 D HA 0.438 5.079 4.640 0.001 0.000 0.245 421 D C 0.554 176.874 176.300 0.033 0.000 1.079 421 D CA -0.684 53.332 54.000 0.028 0.000 0.854 421 D CB 0.819 41.638 40.800 0.032 0.000 1.148 421 D HN 0.122 nan 8.370 nan 0.000 0.456 422 L N 2.423 123.664 121.223 0.030 0.000 2.265 422 L HA 0.346 4.686 4.340 0.001 0.000 0.195 422 L C -1.886 175.013 176.870 0.049 0.000 1.083 422 L CA 0.115 54.973 54.840 0.030 0.000 0.798 422 L CB -1.302 40.765 42.059 0.013 0.000 0.989 422 L HN 0.446 nan 8.230 nan 0.000 0.472 423 P HA 0.059 nan 4.420 nan 0.000 0.261 423 P C 0.244 177.605 177.300 0.101 0.000 1.203 423 P CA 0.831 63.975 63.100 0.072 0.000 0.767 423 P CB 0.232 31.967 31.700 0.059 0.000 0.785 424 L N 2.102 123.412 121.223 0.145 0.000 2.667 424 L HA 0.055 4.396 4.340 0.001 0.000 0.232 424 L C 1.212 178.200 176.870 0.197 0.000 1.138 424 L CA 0.089 55.039 54.840 0.184 0.000 0.921 424 L CB -0.302 41.920 42.059 0.272 0.000 1.180 424 L HN 0.241 nan 8.230 nan 0.000 0.487 425 D N 0.826 121.342 120.400 0.192 0.000 2.170 425 D HA -0.233 4.407 4.640 0.001 0.000 0.193 425 D C 1.531 178.000 176.300 0.281 0.000 1.004 425 D CA 1.477 55.636 54.000 0.265 0.000 0.860 425 D CB -0.129 40.809 40.800 0.231 0.000 0.931 425 D HN 0.359 nan 8.370 nan 0.000 0.448 426 N N -0.044 118.753 118.700 0.163 0.000 2.424 426 N HA 0.006 4.747 4.740 0.001 0.000 0.178 426 N C 1.881 177.376 175.510 -0.026 0.000 1.060 426 N CA 0.757 53.833 53.050 0.044 0.000 0.901 426 N CB 0.149 38.660 38.487 0.040 0.000 0.979 426 N HN 0.234 nan 8.380 nan 0.000 0.451 427 G N 1.275 110.094 108.800 0.031 0.000 2.404 427 G HA2 -0.111 3.849 3.960 0.001 0.000 0.213 427 G HA3 -0.111 3.849 3.960 0.001 0.000 0.213 427 G C 1.680 176.568 174.900 -0.020 0.000 1.189 427 G CA 0.341 45.451 45.100 0.016 0.000 0.796 427 G HN 0.083 nan 8.290 nan 0.000 0.532 428 V N 1.110 121.039 119.914 0.025 0.000 2.278 428 V HA -0.286 3.834 4.120 0.001 0.000 0.251 428 V C 2.819 178.810 176.094 -0.171 0.000 1.062 428 V CA 2.439 64.686 62.300 -0.088 0.000 1.038 428 V CB -0.553 31.223 31.823 -0.078 0.000 0.646 428 V HN 0.397 nan 8.190 nan 0.000 0.447 429 R N 0.521 120.918 120.500 -0.172 0.000 2.080 429 R HA -0.196 4.145 4.340 0.001 0.000 0.236 429 R C 2.561 178.607 176.300 -0.422 0.000 1.137 429 R CA 2.256 58.129 56.100 -0.378 0.000 0.943 429 R CB -0.412 29.503 30.300 -0.641 0.000 0.846 429 R HN 0.709 nan 8.270 nan 0.000 0.431 430 S N 0.795 116.305 115.700 -0.316 0.000 2.428 430 S HA -0.125 4.346 4.470 0.001 0.000 0.230 430 S C 1.982 176.433 174.600 -0.248 0.000 1.014 430 S CA 0.800 58.829 58.200 -0.285 0.000 0.957 430 S CB -0.385 62.687 63.200 -0.213 0.000 0.784 430 S HN 0.322 nan 8.310 nan 0.000 0.499 431 L N 2.123 123.208 121.223 -0.229 0.000 1.976 431 L HA 0.120 4.461 4.340 0.001 0.000 0.209 431 L C 2.159 178.870 176.870 -0.265 0.000 1.071 431 L CA 1.665 56.359 54.840 -0.243 0.000 0.746 431 L CB -1.183 40.718 42.059 -0.262 0.000 0.890 431 L HN 0.358 nan 8.230 nan 0.000 0.432 432 L N -0.912 120.132 121.223 -0.300 0.000 2.265 432 L HA -0.199 4.142 4.340 0.001 0.000 0.215 432 L C 2.436 179.180 176.870 -0.209 0.000 1.117 432 L CA 1.081 55.750 54.840 -0.285 0.000 0.782 432 L CB -0.382 41.498 42.059 -0.298 0.000 0.914 432 L HN 0.340 nan 8.230 nan 0.000 0.441 433 I N -0.988 119.427 120.570 -0.260 0.000 2.703 433 I HA -0.052 4.119 4.170 0.001 0.000 0.259 433 I C 2.474 178.488 176.117 -0.171 0.000 1.151 433 I CA 0.921 62.073 61.300 -0.247 0.000 1.470 433 I CB -0.383 37.373 38.000 -0.405 0.000 1.112 433 I HN 0.183 nan 8.210 nan 0.000 0.437 434 G N 0.151 108.848 108.800 -0.170 0.000 2.408 434 G HA2 -0.128 3.832 3.960 0.001 0.000 0.213 434 G HA3 -0.128 3.832 3.960 0.001 0.000 0.213 434 G C 0.726 175.571 174.900 -0.092 0.000 1.177 434 G CA 0.113 45.137 45.100 -0.128 0.000 0.802 434 G HN 0.395 nan 8.290 nan 0.000 0.533 435 C N 2.525 121.764 119.300 -0.101 0.000 2.365 435 C HA 0.330 4.790 4.460 0.001 0.000 0.412 435 C C 1.582 176.541 174.990 -0.052 0.000 1.023 435 C CA -0.897 58.084 59.018 -0.063 0.000 1.287 435 C CB -1.121 26.577 27.740 -0.070 0.000 1.675 435 C HN 0.603 nan 8.230 nan 0.000 0.520 436 K N 0.703 121.082 120.400 -0.034 0.000 2.444 436 K HA 0.073 4.394 4.320 0.001 0.000 0.193 436 K C 1.169 177.771 176.600 0.004 0.000 1.024 436 K CA 0.380 56.654 56.287 -0.021 0.000 1.077 436 K CB 0.195 32.683 32.500 -0.019 0.000 0.833 436 K HN 0.492 nan 8.250 nan 0.000 0.517 437 K N 0.823 121.233 120.400 0.017 0.000 2.426 437 K HA 0.106 4.426 4.320 0.001 0.000 0.193 437 K C 0.064 176.700 176.600 0.061 0.000 1.028 437 K CA -0.286 56.025 56.287 0.040 0.000 1.047 437 K CB 0.094 32.622 32.500 0.047 0.000 0.821 437 K HN 0.042 nan 8.250 nan 0.000 0.513 438 L N 1.400 122.656 121.223 0.054 0.000 2.540 438 L HA -0.085 4.255 4.340 0.001 0.000 0.276 438 L C 0.977 177.913 176.870 0.109 0.000 1.212 438 L CA 0.985 55.880 54.840 0.091 0.000 0.893 438 L CB 0.363 42.455 42.059 0.054 0.000 1.138 438 L HN 0.033 nan 8.230 nan 0.000 0.491 439 R N 2.799 123.397 120.500 0.164 0.000 2.383 439 R HA 0.303 4.644 4.340 0.001 0.000 0.205 439 R C -0.193 176.269 176.300 0.270 0.000 0.875 439 R CA -0.221 55.987 56.100 0.180 0.000 1.039 439 R CB 0.570 30.965 30.300 0.160 0.000 1.267 439 R HN 0.506 nan 8.270 nan 0.000 0.635 440 R N 0.422 121.126 120.500 0.342 0.000 2.621 440 R HA 0.391 4.732 4.340 0.001 0.000 0.292 440 R C -1.654 174.931 176.300 0.474 0.000 0.969 440 R CA -0.606 55.807 56.100 0.522 0.000 0.887 440 R CB 2.228 32.916 30.300 0.648 0.000 1.180 440 R HN -0.128 nan 8.270 nan 0.000 0.450 441 F N 1.469 121.474 119.950 0.092 0.000 2.588 441 F HA 0.646 5.174 4.527 0.001 0.000 0.318 441 F C -1.647 174.013 175.800 -0.233 0.000 1.155 441 F CA -0.469 57.544 58.000 0.022 0.000 0.967 441 F CB 1.829 40.851 39.000 0.036 0.000 1.236 441 F HN 0.646 nan 8.300 nan 0.000 0.455 442 A N 5.469 127.863 122.820 -0.710 0.000 2.356 442 A HA 0.803 5.123 4.320 0.001 0.000 0.310 442 A C -2.222 175.053 177.584 -0.516 0.000 1.075 442 A CA -0.449 51.225 52.037 -0.606 0.000 0.746 442 A CB 0.853 19.672 19.000 -0.302 0.000 1.221 442 A HN 0.710 nan 8.150 nan 0.000 0.443 443 F N 2.545 122.171 119.950 -0.541 0.000 3.090 443 F HA 0.390 4.917 4.527 0.001 0.000 0.381 443 F C -1.447 174.294 175.800 -0.099 0.000 1.231 443 F CA -0.560 57.245 58.000 -0.325 0.000 1.177 443 F CB 1.029 39.848 39.000 -0.301 0.000 1.598 443 F HN 0.595 nan 8.300 nan 0.000 0.589 444 Y N 6.186 126.288 120.300 -0.331 0.000 2.334 444 Y HA 0.715 5.265 4.550 0.001 0.000 0.336 444 Y C -1.026 174.748 175.900 -0.210 0.000 0.960 444 Y CA -0.473 57.504 58.100 -0.206 0.000 1.164 444 Y CB 0.822 39.173 38.460 -0.180 0.000 1.155 444 Y HN 0.463 nan 8.280 nan 0.000 0.478 445 L N 4.193 125.357 121.223 -0.098 0.000 2.426 445 L HA 0.637 4.978 4.340 0.001 0.000 0.260 445 L C -0.475 176.408 176.870 0.022 0.000 1.233 445 L CA -1.434 53.373 54.840 -0.054 0.000 1.267 445 L CB 1.396 43.380 42.059 -0.125 0.000 1.814 445 L HN 0.438 nan 8.230 nan 0.000 0.561 446 R N -0.563 119.888 120.500 -0.082 0.000 2.875 446 R HA 0.231 4.571 4.340 0.001 0.000 0.251 446 R C 0.582 176.769 176.300 -0.189 0.000 1.123 446 R CA -0.556 55.398 56.100 -0.245 0.000 1.064 446 R CB 1.404 31.598 30.300 -0.177 0.000 1.205 446 R HN 0.432 nan 8.270 nan 0.000 0.503 447 Q N 0.967 120.607 119.800 -0.267 0.000 2.014 447 Q HA -0.087 4.254 4.340 0.001 0.000 0.207 447 Q C 1.428 177.394 176.000 -0.055 0.000 0.993 447 Q CA 2.446 58.174 55.803 -0.126 0.000 0.850 447 Q CB -0.821 27.838 28.738 -0.133 0.000 0.916 447 Q HN 0.903 nan 8.270 nan 0.000 0.417 448 G N -0.512 108.254 108.800 -0.057 0.000 3.028 448 G HA2 0.039 4.000 3.960 0.001 0.000 0.205 448 G HA3 0.039 4.000 3.960 0.001 0.000 0.205 448 G C 1.163 176.062 174.900 -0.002 0.000 1.182 448 G CA 0.574 45.659 45.100 -0.025 0.000 0.860 448 G HN 0.472 nan 8.290 nan 0.000 0.507 449 G N -0.262 108.538 108.800 0.001 0.000 2.403 449 G HA2 0.194 4.154 3.960 0.001 0.000 0.216 449 G HA3 0.194 4.154 3.960 0.001 0.000 0.216 449 G C 0.267 175.218 174.900 0.084 0.000 1.154 449 G CA 0.441 45.557 45.100 0.027 0.000 0.784 449 G HN 0.417 nan 8.290 nan 0.000 0.538 450 L N 0.388 121.665 121.223 0.090 0.000 2.482 450 L HA 0.532 4.872 4.340 0.001 0.000 0.263 450 L C 0.039 176.955 176.870 0.077 0.000 0.957 450 L CA -0.511 54.404 54.840 0.124 0.000 0.836 450 L CB 2.371 44.553 42.059 0.206 0.000 1.324 450 L HN 0.121 nan 8.230 nan 0.000 0.406 451 T N -1.317 113.273 114.554 0.060 0.000 2.927 451 T HA 0.326 4.676 4.350 0.001 0.000 0.281 451 T C 0.556 175.268 174.700 0.019 0.000 0.998 451 T CA -0.467 61.651 62.100 0.030 0.000 1.019 451 T CB 1.031 69.906 68.868 0.012 0.000 1.061 451 T HN 0.588 nan 8.240 nan 0.000 0.518 452 D N 0.256 120.668 120.400 0.020 0.000 2.190 452 D HA -0.113 4.527 4.640 0.001 0.000 0.200 452 D C 1.835 178.104 176.300 -0.052 0.000 0.992 452 D CA 0.666 54.679 54.000 0.023 0.000 0.854 452 D CB -0.176 40.643 40.800 0.032 0.000 0.936 452 D HN 0.425 nan 8.370 nan 0.000 0.462 453 L N 0.451 121.608 121.223 -0.111 0.000 2.044 453 L HA -0.031 4.309 4.340 0.001 0.000 0.205 453 L C 2.146 178.716 176.870 -0.500 0.000 1.075 453 L CA 1.971 56.644 54.840 -0.278 0.000 0.747 453 L CB -1.021 40.897 42.059 -0.235 0.000 0.903 453 L HN 0.100 nan 8.230 nan 0.000 0.435 454 G N 0.066 108.707 108.800 -0.265 0.000 2.432 454 G HA2 -0.255 3.705 3.960 0.001 0.000 0.219 454 G HA3 -0.255 3.705 3.960 0.001 0.000 0.219 454 G C 1.691 176.602 174.900 0.018 0.000 1.135 454 G CA 0.678 45.719 45.100 -0.098 0.000 0.767 454 G HN 0.392 nan 8.290 nan 0.000 0.550 455 L N 1.333 122.568 121.223 0.019 0.000 2.017 455 L HA -0.111 4.230 4.340 0.001 0.000 0.208 455 L C 3.231 180.182 176.870 0.135 0.000 1.073 455 L CA 1.847 56.734 54.840 0.079 0.000 0.745 455 L CB -0.276 41.825 42.059 0.070 0.000 0.894 455 L HN 0.452 nan 8.230 nan 0.000 0.432 456 S N -1.635 114.087 115.700 0.037 0.000 2.474 456 S HA -0.198 4.273 4.470 0.001 0.000 0.235 456 S C 1.819 176.477 174.600 0.096 0.000 0.997 456 S CA 0.524 58.754 58.200 0.051 0.000 0.949 456 S CB -0.672 62.505 63.200 -0.038 0.000 0.766 456 S HN 0.523 nan 8.310 nan 0.000 0.517 457 Y N 1.440 121.797 120.300 0.094 0.000 2.145 457 Y HA -0.057 4.494 4.550 0.001 0.000 0.286 457 Y C 2.448 178.417 175.900 0.115 0.000 1.145 457 Y CA 1.115 59.300 58.100 0.142 0.000 1.148 457 Y CB -0.320 38.238 38.460 0.164 0.000 0.981 457 Y HN 0.259 nan 8.280 nan 0.000 0.507 458 I N -0.232 120.497 120.570 0.264 0.000 2.118 458 I HA -0.324 3.847 4.170 0.001 0.000 0.241 458 I C 2.713 178.899 176.117 0.115 0.000 1.070 458 I CA 1.608 62.995 61.300 0.144 0.000 1.327 458 I CB -1.054 37.057 38.000 0.185 0.000 1.034 458 I HN 0.273 nan 8.210 nan 0.000 0.405 459 G N -0.325 108.569 108.800 0.157 0.000 2.442 459 G HA2 -0.308 3.652 3.960 0.001 0.000 0.219 459 G HA3 -0.308 3.652 3.960 0.001 0.000 0.219 459 G C 1.606 176.394 174.900 -0.186 0.000 1.141 459 G CA 0.766 45.751 45.100 -0.192 0.000 0.763 459 G HN 0.443 nan 8.290 nan 0.000 0.554 460 Q N -1.076 118.631 119.800 -0.156 0.000 2.137 460 Q HA 0.028 4.368 4.340 0.001 0.000 0.198 460 Q C 1.075 176.795 176.000 -0.465 0.000 0.960 460 Q CA 0.707 56.298 55.803 -0.353 0.000 0.847 460 Q CB 0.038 28.498 28.738 -0.463 0.000 0.915 460 Q HN 0.668 nan 8.270 nan 0.000 0.448 461 Y N -0.299 119.963 120.300 -0.064 0.000 2.681 461 Y HA 0.220 4.770 4.550 0.001 0.000 0.267 461 Y C -0.081 175.734 175.900 -0.142 0.000 1.166 461 Y CA -0.508 57.528 58.100 -0.106 0.000 1.209 461 Y CB 1.111 39.490 38.460 -0.136 0.000 1.161 461 Y HN 0.002 nan 8.280 nan 0.000 0.534 462 S N -0.272 115.400 115.700 -0.046 0.000 2.150 462 S HA 0.287 4.758 4.470 0.001 0.000 0.171 462 S C -2.255 172.309 174.600 -0.059 0.000 1.620 462 S CA -1.295 56.855 58.200 -0.084 0.000 1.190 462 S CB 1.000 64.112 63.200 -0.146 0.000 1.102 462 S HN 0.045 nan 8.310 nan 0.000 0.464 463 P HA 0.103 nan 4.420 nan 0.000 0.227 463 P C 0.345 177.641 177.300 -0.006 0.000 1.161 463 P CA 0.611 63.693 63.100 -0.030 0.000 0.788 463 P CB 0.188 31.875 31.700 -0.021 0.000 0.822 464 N N -0.671 118.033 118.700 0.007 0.000 2.250 464 N HA 0.065 4.805 4.740 0.001 0.000 0.190 464 N C 0.207 175.755 175.510 0.063 0.000 1.116 464 N CA 0.088 53.159 53.050 0.035 0.000 0.881 464 N CB 0.612 39.122 38.487 0.038 0.000 1.006 464 N HN -0.027 nan 8.380 nan 0.000 0.491 465 V N 1.888 121.836 119.914 0.056 0.000 2.540 465 V HA 0.030 4.150 4.120 0.001 0.000 0.297 465 V C 1.375 177.549 176.094 0.133 0.000 1.024 465 V CA 0.537 62.901 62.300 0.106 0.000 1.105 465 V CB 1.040 32.912 31.823 0.082 0.000 0.938 465 V HN 0.115 nan 8.190 nan 0.000 0.482 466 R N 2.555 123.173 120.500 0.195 0.000 2.250 466 R HA 0.164 4.505 4.340 0.001 0.000 0.194 466 R C -0.149 176.341 176.300 0.316 0.000 0.927 466 R CA -0.041 56.189 56.100 0.215 0.000 1.052 466 R CB 0.658 31.073 30.300 0.193 0.000 1.055 466 R HN 0.727 nan 8.270 nan 0.000 0.537 467 W N 1.028 122.417 121.300 0.149 0.000 2.785 467 W HA 0.578 5.239 4.660 0.001 0.000 0.333 467 W C -1.633 175.015 176.519 0.214 0.000 1.062 467 W CA -0.774 56.667 57.345 0.161 0.000 1.233 467 W CB 1.176 30.706 29.460 0.117 0.000 1.413 467 W HN -0.262 nan 8.180 nan 0.000 0.489 468 M N 6.966 126.174 119.600 -0.653 0.000 2.326 468 M HA 0.342 4.822 4.480 0.001 0.000 0.292 468 M C -1.652 174.166 176.300 -0.804 0.000 1.081 468 M CA -1.148 53.735 55.300 -0.695 0.000 0.919 468 M CB 2.031 34.603 32.600 -0.047 0.000 1.634 468 M HN 0.377 nan 8.290 nan 0.000 0.451 469 L N 5.414 126.122 121.223 -0.857 0.000 2.305 469 L HA 0.707 5.048 4.340 0.001 0.000 0.284 469 L C -1.874 174.890 176.870 -0.176 0.000 1.013 469 L CA -0.254 54.385 54.840 -0.334 0.000 0.819 469 L CB 1.120 43.070 42.059 -0.181 0.000 1.227 469 L HN 0.658 nan 8.230 nan 0.000 0.417 470 L N 5.481 126.665 121.223 -0.065 0.000 2.356 470 L HA 0.667 5.007 4.340 0.001 0.000 0.277 470 L C 0.890 177.674 176.870 -0.142 0.000 0.996 470 L CA -0.539 54.270 54.840 -0.052 0.000 0.822 470 L CB 1.703 43.724 42.059 -0.065 0.000 1.256 470 L HN 0.767 nan 8.230 nan 0.000 0.413 471 G N 0.957 109.612 108.800 -0.242 0.000 3.224 471 G HA2 -0.024 3.936 3.960 0.001 0.000 0.161 471 G HA3 -0.024 3.936 3.960 0.001 0.000 0.161 471 G C -0.223 174.311 174.900 -0.611 0.000 1.872 471 G CA 0.127 44.772 45.100 -0.758 0.000 1.012 471 G HN 0.516 nan 8.290 nan 0.000 0.504 472 Y N 0.983 121.002 120.300 -0.468 0.000 2.933 472 Y HA 0.360 4.910 4.550 0.001 0.000 0.380 472 Y C 0.976 176.766 175.900 -0.183 0.000 1.056 472 Y CA -0.786 57.132 58.100 -0.303 0.000 1.704 472 Y CB -0.079 38.223 38.460 -0.264 0.000 1.558 472 Y HN 0.236 nan 8.280 nan 0.000 0.501 473 V N -1.273 118.623 119.914 -0.030 0.000 2.834 473 V HA 0.949 5.070 4.120 0.001 0.000 0.301 473 V C 0.606 176.720 176.094 0.034 0.000 1.066 473 V CA 0.008 62.340 62.300 0.053 0.000 1.052 473 V CB 0.856 32.753 31.823 0.123 0.000 1.021 473 V HN 0.622 nan 8.190 nan 0.000 0.480 474 G N 3.359 112.203 108.800 0.073 0.000 2.710 474 G HA2 -0.100 3.861 3.960 0.001 0.000 0.668 474 G HA3 -0.100 3.861 3.960 0.001 0.000 0.668 474 G C -0.261 174.625 174.900 -0.024 0.000 1.320 474 G CA 0.286 45.438 45.100 0.087 0.000 0.860 474 G HN 1.019 nan 8.290 nan 0.000 0.538 475 E N -0.943 119.256 120.200 -0.001 0.000 2.502 475 E HA 0.311 4.661 4.350 0.001 0.000 0.206 475 E C 0.968 177.547 176.600 -0.035 0.000 0.821 475 E CA 0.571 56.950 56.400 -0.035 0.000 1.354 475 E CB 1.040 30.738 29.700 -0.003 0.000 1.336 475 E HN 1.124 nan 8.360 nan 0.000 0.675 476 S N 0.072 115.805 115.700 0.056 0.000 2.671 476 S HA 0.212 4.682 4.470 0.001 0.000 0.277 476 S C -0.463 174.307 174.600 0.282 0.000 1.165 476 S CA -0.686 57.574 58.200 0.100 0.000 0.822 476 S CB 1.482 64.722 63.200 0.066 0.000 1.150 476 S HN -0.151 nan 8.310 nan 0.000 0.479 477 D N 0.962 121.528 120.400 0.277 0.000 2.393 477 D HA -0.054 4.586 4.640 0.001 0.000 0.220 477 D C 1.446 177.824 176.300 0.129 0.000 0.974 477 D CA 0.965 55.127 54.000 0.271 0.000 0.931 477 D CB -0.047 40.851 40.800 0.163 0.000 0.889 477 D HN 0.539 nan 8.370 nan 0.000 0.512 478 E N 0.190 120.460 120.200 0.117 0.000 2.047 478 E HA -0.081 4.269 4.350 0.001 0.000 0.191 478 E C 2.336 178.971 176.600 0.059 0.000 0.987 478 E CA 1.107 57.545 56.400 0.064 0.000 0.799 478 E CB -0.394 29.335 29.700 0.049 0.000 0.752 478 E HN 0.414 nan 8.360 nan 0.000 0.449 479 G N 1.376 110.241 108.800 0.110 0.000 2.422 479 G HA2 -0.219 3.742 3.960 0.001 0.000 0.218 479 G HA3 -0.219 3.742 3.960 0.001 0.000 0.218 479 G C 1.610 176.529 174.900 0.032 0.000 1.140 479 G CA 0.494 45.652 45.100 0.097 0.000 0.775 479 G HN 0.163 nan 8.290 nan 0.000 0.545 480 L N 0.223 121.369 121.223 -0.129 0.000 2.027 480 L HA 0.168 4.509 4.340 0.001 0.000 0.206 480 L C 2.644 179.466 176.870 -0.079 0.000 1.074 480 L CA 1.713 56.323 54.840 -0.383 0.000 0.745 480 L CB -0.345 41.110 42.059 -1.006 0.000 0.898 480 L HN 0.217 nan 8.230 nan 0.000 0.433 481 M N -1.167 118.398 119.600 -0.060 0.000 2.159 481 M HA -0.170 4.310 4.480 0.001 0.000 0.263 481 M C 2.025 178.322 176.300 -0.006 0.000 1.063 481 M CA 1.574 56.858 55.300 -0.026 0.000 1.110 481 M CB -0.262 32.325 32.600 -0.021 0.000 1.374 481 M HN 0.300 nan 8.290 nan 0.000 0.411 482 E N -0.036 120.172 120.200 0.013 0.000 2.077 482 E HA -0.211 4.139 4.350 0.001 0.000 0.193 482 E C 1.731 178.346 176.600 0.025 0.000 0.989 482 E CA 1.305 57.709 56.400 0.008 0.000 0.800 482 E CB -0.731 28.974 29.700 0.007 0.000 0.746 482 E HN 0.600 nan 8.360 nan 0.000 0.452 483 F N 2.159 122.059 119.950 -0.084 0.000 2.126 483 F HA -0.248 4.279 4.527 0.001 0.000 0.299 483 F C 2.498 178.250 175.800 -0.080 0.000 1.096 483 F CA 2.019 59.972 58.000 -0.078 0.000 1.255 483 F CB -0.413 38.535 39.000 -0.087 0.000 0.997 483 F HN 0.011 nan 8.300 nan 0.000 0.479 484 S N 1.349 116.975 115.700 -0.122 0.000 2.447 484 S HA -0.219 4.252 4.470 0.001 0.000 0.233 484 S C 1.945 176.412 174.600 -0.222 0.000 1.006 484 S CA 0.789 58.860 58.200 -0.215 0.000 0.957 484 S CB -0.919 62.243 63.200 -0.064 0.000 0.773 484 S HN 0.717 nan 8.310 nan 0.000 0.507 485 R N 0.832 121.226 120.500 -0.176 0.000 2.313 485 R HA 0.320 4.660 4.340 0.001 0.000 0.199 485 R C 1.182 177.374 176.300 -0.180 0.000 0.958 485 R CA 0.532 56.544 56.100 -0.146 0.000 1.047 485 R CB -0.430 29.808 30.300 -0.102 0.000 0.955 485 R HN 0.408 nan 8.270 nan 0.000 0.481 486 G N 0.293 108.932 108.800 -0.269 0.000 3.194 486 G HA2 0.248 4.209 3.960 0.001 0.000 0.160 486 G HA3 0.248 4.209 3.960 0.001 0.000 0.160 486 G C -0.576 174.145 174.900 -0.299 0.000 1.267 486 G CA -0.140 44.795 45.100 -0.274 0.000 0.962 486 G HN 0.318 nan 8.290 nan 0.000 0.612 487 C N 0.846 119.962 119.300 -0.306 0.000 3.268 487 C HA -0.087 4.374 4.460 0.001 0.000 0.277 487 C C -0.874 174.035 174.990 -0.135 0.000 1.259 487 C CA -0.221 58.654 59.018 -0.238 0.000 2.353 487 C CB -1.894 25.629 27.740 -0.360 0.000 1.482 487 C HN 0.531 nan 8.230 nan 0.000 0.513 488 P HA -0.106 nan 4.420 nan 0.000 0.216 488 P C 0.816 178.104 177.300 -0.020 0.000 1.150 488 P CA 1.695 64.760 63.100 -0.058 0.000 0.837 488 P CB 0.050 31.721 31.700 -0.049 0.000 0.786 489 N N -1.684 117.015 118.700 -0.002 0.000 2.200 489 N HA 0.143 4.884 4.740 0.001 0.000 0.224 489 N C -0.167 175.386 175.510 0.071 0.000 1.179 489 N CA -0.326 52.746 53.050 0.038 0.000 0.877 489 N CB 0.283 38.797 38.487 0.045 0.000 1.072 489 N HN 0.043 nan 8.380 nan 0.000 0.519 490 L N 1.809 123.067 121.223 0.059 0.000 2.534 490 L HA -0.025 4.316 4.340 0.001 0.000 0.271 490 L C 0.879 177.843 176.870 0.156 0.000 1.178 490 L CA 0.802 55.708 54.840 0.111 0.000 0.907 490 L CB 0.824 42.933 42.059 0.083 0.000 1.164 490 L HN 0.332 nan 8.230 nan 0.000 0.482 491 Q N 3.211 123.137 119.800 0.209 0.000 2.481 491 Q HA 0.088 4.429 4.340 0.001 0.000 0.219 491 Q C 0.086 176.282 176.000 0.327 0.000 0.920 491 Q CA 0.416 56.369 55.803 0.249 0.000 0.915 491 Q CB 0.712 29.584 28.738 0.224 0.000 1.057 491 Q HN 0.468 nan 8.270 nan 0.000 0.581 492 K N 0.921 121.534 120.400 0.355 0.000 2.345 492 K HA 0.469 4.789 4.320 0.001 0.000 0.255 492 K C -1.896 174.974 176.600 0.450 0.000 0.934 492 K CA -0.521 56.039 56.287 0.455 0.000 0.801 492 K CB 1.374 34.106 32.500 0.387 0.000 1.137 492 K HN -0.051 nan 8.250 nan 0.000 0.424 493 L N 3.491 124.985 121.223 0.452 0.000 2.404 493 L HA 0.424 4.764 4.340 0.001 0.000 0.272 493 L C -1.602 175.489 176.870 0.368 0.000 0.980 493 L CA 0.008 55.041 54.840 0.322 0.000 0.836 493 L CB 1.856 44.078 42.059 0.271 0.000 1.238 493 L HN 0.708 nan 8.230 nan 0.000 0.408 494 E N 6.367 126.762 120.200 0.326 0.000 2.176 494 E HA 0.679 5.029 4.350 0.001 0.000 0.267 494 E C -1.351 175.398 176.600 0.248 0.000 0.893 494 E CA -0.500 56.174 56.400 0.456 0.000 0.761 494 E CB 1.948 31.996 29.700 0.581 0.000 1.133 494 E HN 0.568 nan 8.360 nan 0.000 0.409 495 M N 2.870 122.569 119.600 0.165 0.000 2.271 495 M HA 0.495 4.976 4.480 0.001 0.000 0.285 495 M C -0.701 175.565 176.300 -0.057 0.000 1.059 495 M CA -0.883 54.432 55.300 0.026 0.000 0.940 495 M CB 2.419 35.010 32.600 -0.015 0.000 1.636 495 M HN 0.385 nan 8.290 nan 0.000 0.460 496 R N 0.975 121.422 120.500 -0.087 0.000 2.795 496 R HA 0.854 5.195 4.340 0.001 0.000 0.275 496 R C 0.069 176.088 176.300 -0.468 0.000 0.981 496 R CA -0.120 55.884 56.100 -0.159 0.000 0.917 496 R CB 2.031 32.363 30.300 0.053 0.000 1.202 496 R HN 1.013 nan 8.270 nan 0.000 0.469 497 G N 1.071 109.588 108.800 -0.471 0.000 2.291 497 G HA2 -0.219 3.741 3.960 0.001 0.000 0.271 497 G HA3 -0.219 3.741 3.960 0.001 0.000 0.271 497 G C -0.464 174.012 174.900 -0.707 0.000 1.099 497 G CA 0.078 44.652 45.100 -0.876 0.000 0.919 497 G HN 0.639 nan 8.290 nan 0.000 0.496 498 C N -0.796 118.298 119.300 -0.342 0.000 2.562 498 C HA 0.648 5.108 4.460 0.001 0.000 0.332 498 C C 1.941 176.745 174.990 -0.310 0.000 1.201 498 C CA -0.074 58.736 59.018 -0.347 0.000 1.803 498 C CB 1.305 28.916 27.740 -0.214 0.000 2.328 498 C HN 1.110 nan 8.230 nan 0.000 0.500 499 C N -0.890 118.077 119.300 -0.554 0.000 2.693 499 C HA 0.435 4.895 4.460 0.001 0.000 0.286 499 C C 0.302 175.113 174.990 -0.300 0.000 1.277 499 C CA -0.613 58.184 59.018 -0.368 0.000 1.705 499 C CB -2.501 25.044 27.740 -0.325 0.000 1.879 499 C HN 0.647 nan 8.230 nan 0.000 0.607 500 F N 2.688 122.645 119.950 0.011 0.000 2.382 500 F HA 0.444 4.972 4.527 0.001 0.000 0.331 500 F C 1.259 177.096 175.800 0.062 0.000 1.121 500 F CA -0.170 57.843 58.000 0.022 0.000 1.183 500 F CB 0.838 39.840 39.000 0.005 0.000 1.207 500 F HN 0.228 nan 8.300 nan 0.000 0.555 501 S N 0.634 116.490 115.700 0.260 0.000 2.693 501 S HA 0.252 4.723 4.470 0.001 0.000 0.276 501 S C 0.781 175.501 174.600 0.201 0.000 1.192 501 S CA -0.743 57.566 58.200 0.181 0.000 0.994 501 S CB 1.395 64.665 63.200 0.116 0.000 1.012 501 S HN 0.749 nan 8.310 nan 0.000 0.550 502 E N 0.876 121.198 120.200 0.203 0.000 2.038 502 E HA -0.201 4.150 4.350 0.001 0.000 0.195 502 E C 2.266 178.929 176.600 0.105 0.000 1.000 502 E CA 1.353 57.870 56.400 0.195 0.000 0.803 502 E CB -0.207 29.608 29.700 0.190 0.000 0.750 502 E HN 0.680 nan 8.360 nan 0.000 0.448 503 R N 1.187 121.736 120.500 0.081 0.000 2.235 503 R HA 0.018 4.359 4.340 0.001 0.000 0.213 503 R C 1.790 178.112 176.300 0.038 0.000 1.059 503 R CA 1.225 57.354 56.100 0.050 0.000 0.997 503 R CB -0.245 30.079 30.300 0.039 0.000 0.884 503 R HN 0.105 nan 8.270 nan 0.000 0.462 504 A N 2.200 125.054 122.820 0.056 0.000 1.872 504 A HA 0.002 4.322 4.320 0.001 0.000 0.214 504 A C 2.325 179.904 177.584 -0.008 0.000 1.187 504 A CA 1.051 53.109 52.037 0.035 0.000 0.614 504 A CB -0.253 18.800 19.000 0.088 0.000 0.826 504 A HN 0.207 nan 8.150 nan 0.000 0.442 505 I N 0.230 120.806 120.570 0.011 0.000 2.076 505 I HA -0.292 3.878 4.170 0.001 0.000 0.237 505 I C 3.038 179.147 176.117 -0.014 0.000 1.059 505 I CA 1.668 62.956 61.300 -0.019 0.000 1.317 505 I CB -1.731 36.260 38.000 -0.016 0.000 1.037 505 I HN 0.366 nan 8.210 nan 0.000 0.398 506 A N 1.067 123.890 122.820 0.005 0.000 1.915 506 A HA -0.258 4.063 4.320 0.001 0.000 0.220 506 A C 2.530 180.098 177.584 -0.027 0.000 1.198 506 A CA 2.862 54.900 52.037 0.001 0.000 0.647 506 A CB -0.966 18.044 19.000 0.016 0.000 0.825 506 A HN 0.515 nan 8.150 nan 0.000 0.456 507 A N -0.812 121.995 122.820 -0.023 0.000 1.929 507 A HA 0.285 4.606 4.320 0.001 0.000 0.216 507 A C 2.444 179.999 177.584 -0.048 0.000 1.176 507 A CA 1.796 53.813 52.037 -0.034 0.000 0.628 507 A CB -0.823 18.164 19.000 -0.022 0.000 0.816 507 A HN 1.112 nan 8.150 nan 0.000 0.444 508 A N -0.657 122.135 122.820 -0.046 0.000 1.968 508 A HA 0.100 4.420 4.320 0.001 0.000 0.217 508 A C 2.129 179.684 177.584 -0.048 0.000 1.169 508 A CA 1.431 53.441 52.037 -0.045 0.000 0.638 508 A CB -0.673 18.301 19.000 -0.044 0.000 0.812 508 A HN 0.314 nan 8.150 nan 0.000 0.446 509 V N 0.338 120.218 119.914 -0.056 0.000 2.407 509 V HA -0.214 3.907 4.120 0.001 0.000 0.248 509 V C 2.719 178.713 176.094 -0.166 0.000 1.055 509 V CA 2.429 64.671 62.300 -0.097 0.000 1.049 509 V CB -1.056 30.697 31.823 -0.117 0.000 0.662 509 V HN 0.688 nan 8.190 nan 0.000 0.455 510 T N -1.001 113.465 114.554 -0.147 0.000 2.904 510 T HA -0.143 4.207 4.350 0.001 0.000 0.267 510 T C 1.804 176.442 174.700 -0.105 0.000 1.059 510 T CA 0.918 62.930 62.100 -0.147 0.000 1.137 510 T CB -0.151 68.650 68.868 -0.113 0.000 0.879 510 T HN 0.431 nan 8.240 nan 0.000 0.467 511 K N 0.373 120.720 120.400 -0.087 0.000 2.366 511 K HA 0.183 4.503 4.320 0.001 0.000 0.198 511 K C 0.322 176.870 176.600 -0.086 0.000 1.044 511 K CA 0.223 56.463 56.287 -0.079 0.000 0.973 511 K CB -0.099 32.356 32.500 -0.075 0.000 0.767 511 K HN 0.338 nan 8.250 nan 0.000 0.475 512 L N 2.892 124.063 121.223 -0.086 0.000 2.313 512 L HA 0.086 4.426 4.340 0.001 0.000 0.282 512 L C -1.307 175.535 176.870 -0.047 0.000 1.092 512 L CA -1.433 53.361 54.840 -0.077 0.000 0.831 512 L CB 0.987 43.015 42.059 -0.052 0.000 1.159 512 L HN -0.027 nan 8.230 nan 0.000 0.442 513 P HA -0.049 nan 4.420 nan 0.000 0.220 513 P C 0.916 178.232 177.300 0.027 0.000 1.152 513 P CA 0.801 63.892 63.100 -0.014 0.000 0.812 513 P CB 0.558 32.243 31.700 -0.025 0.000 0.792 514 S N -1.142 114.587 115.700 0.048 0.000 2.540 514 S HA 0.153 4.624 4.470 0.001 0.000 0.222 514 S C 0.632 175.334 174.600 0.170 0.000 1.008 514 S CA -0.461 57.797 58.200 0.098 0.000 0.939 514 S CB -0.311 62.940 63.200 0.085 0.000 0.865 514 S HN -0.004 nan 8.310 nan 0.000 0.499 515 L N 3.745 125.063 121.223 0.159 0.000 2.559 515 L HA 0.100 4.441 4.340 0.001 0.000 0.274 515 L C 1.003 178.099 176.870 0.376 0.000 1.205 515 L CA 0.720 55.702 54.840 0.236 0.000 0.907 515 L CB 0.439 42.592 42.059 0.157 0.000 1.153 515 L HN 0.235 nan 8.230 nan 0.000 0.490 516 R N 3.086 123.888 120.500 0.502 0.000 2.541 516 R HA 0.236 4.577 4.340 0.001 0.000 0.332 516 R C -0.791 175.912 176.300 0.671 0.000 0.951 516 R CA -0.495 56.023 56.100 0.698 0.000 1.136 516 R CB 0.110 30.770 30.300 0.600 0.000 1.449 516 R HN 0.479 nan 8.270 nan 0.000 0.531 517 Y N 0.583 121.143 120.300 0.434 0.000 2.442 517 Y HA 0.553 5.104 4.550 0.001 0.000 0.330 517 Y C -2.252 173.847 175.900 0.332 0.000 1.100 517 Y CA -1.480 56.819 58.100 0.332 0.000 1.034 517 Y CB 2.151 40.782 38.460 0.285 0.000 1.285 517 Y HN 0.041 nan 8.280 nan 0.000 0.440 518 L N 7.537 128.814 121.223 0.090 0.000 2.470 518 L HA 0.555 4.896 4.340 0.001 0.000 0.268 518 L C -2.242 174.662 176.870 0.057 0.000 0.964 518 L CA -0.502 54.450 54.840 0.187 0.000 0.839 518 L CB 1.500 43.687 42.059 0.213 0.000 1.276 518 L HN 0.715 nan 8.230 nan 0.000 0.403 519 W N 7.433 128.745 121.300 0.020 0.000 2.785 519 W HA 0.830 5.490 4.660 0.001 0.000 0.333 519 W C -2.291 174.219 176.519 -0.014 0.000 1.062 519 W CA -0.904 56.425 57.345 -0.028 0.000 1.233 519 W CB 1.801 31.279 29.460 0.030 0.000 1.413 519 W HN 0.385 nan 8.180 nan 0.000 0.489 520 V N 5.070 124.332 119.914 -1.088 0.000 2.777 520 V HA 0.274 4.394 4.120 0.001 0.000 0.306 520 V C -0.747 174.701 176.094 -1.077 0.000 1.112 520 V CA -0.678 61.048 62.300 -0.955 0.000 0.917 520 V CB 1.735 33.250 31.823 -0.513 0.000 1.018 520 V HN 0.627 nan 8.190 nan 0.000 0.426 521 Q N 2.279 121.617 119.800 -0.769 0.000 2.330 521 Q HA 0.643 4.984 4.340 0.001 0.000 0.269 521 Q C 0.000 175.978 176.000 -0.037 0.000 1.022 521 Q CA 0.134 55.754 55.803 -0.305 0.000 0.796 521 Q CB 1.976 30.605 28.738 -0.182 0.000 1.271 521 Q HN 1.425 nan 8.270 nan 0.000 0.450 522 G N 3.346 112.254 108.800 0.180 0.000 3.405 522 G HA2 -0.134 3.826 3.960 0.001 0.000 0.676 522 G HA3 -0.134 3.826 3.960 0.001 0.000 0.676 522 G C -1.481 173.567 174.900 0.246 0.000 1.039 522 G CA -0.098 45.089 45.100 0.145 0.000 0.855 522 G HN 0.845 nan 8.290 nan 0.000 0.443 523 Y N -1.261 119.008 120.300 -0.053 0.000 2.638 523 Y HA 0.702 5.253 4.550 0.001 0.000 0.334 523 Y C -0.271 175.619 175.900 -0.015 0.000 1.182 523 Y CA -2.143 55.939 58.100 -0.029 0.000 1.102 523 Y CB 0.704 39.157 38.460 -0.012 0.000 1.343 523 Y HN 0.580 nan 8.280 nan 0.000 0.463 524 R N 2.313 122.792 120.500 -0.035 0.000 2.435 524 R HA 0.545 4.886 4.340 0.001 0.000 0.325 524 R C 0.414 176.624 176.300 -0.151 0.000 1.149 524 R CA 0.495 56.533 56.100 -0.102 0.000 0.995 524 R CB 0.135 30.429 30.300 -0.011 0.000 1.008 524 R HN 0.835 nan 8.270 nan 0.000 0.470 525 A N 2.443 125.059 122.820 -0.340 0.000 2.372 525 A HA 0.505 4.826 4.320 0.001 0.000 0.271 525 A C -0.038 177.496 177.584 -0.084 0.000 1.470 525 A CA -0.182 51.696 52.037 -0.266 0.000 0.827 525 A CB 0.535 19.308 19.000 -0.379 0.000 1.405 525 A HN 0.686 nan 8.150 nan 0.000 0.536 526 S N -3.194 112.481 115.700 -0.042 0.000 2.556 526 S HA 0.362 4.832 4.470 0.001 0.000 0.280 526 S C 0.093 174.688 174.600 -0.007 0.000 1.141 526 S CA 0.010 58.199 58.200 -0.017 0.000 0.883 526 S CB 0.853 64.058 63.200 0.007 0.000 1.103 526 S HN 0.682 nan 8.310 nan 0.000 0.453 527 M N 2.569 122.163 119.600 -0.010 0.000 2.144 527 M HA -0.069 4.412 4.480 0.001 0.000 0.260 527 M C 1.952 178.256 176.300 0.006 0.000 1.067 527 M CA 2.563 57.861 55.300 -0.004 0.000 1.095 527 M CB -1.298 31.298 32.600 -0.006 0.000 1.365 527 M HN 0.962 nan 8.290 nan 0.000 0.406 528 T N -0.869 113.691 114.554 0.010 0.000 2.580 528 T HA -0.060 4.290 4.350 0.001 0.000 0.265 528 T C 1.752 176.466 174.700 0.024 0.000 1.063 528 T CA 1.910 64.019 62.100 0.015 0.000 1.170 528 T CB -1.268 67.610 68.868 0.017 0.000 0.863 528 T HN 0.661 nan 8.240 nan 0.000 0.418 529 G N 0.232 109.052 108.800 0.034 0.000 2.225 529 G HA2 -0.273 3.688 3.960 0.001 0.000 0.254 529 G HA3 -0.273 3.688 3.960 0.001 0.000 0.254 529 G C 0.837 175.767 174.900 0.050 0.000 0.988 529 G CA 0.406 45.537 45.100 0.051 0.000 0.625 529 G HN 0.473 nan 8.290 nan 0.000 0.527 530 Q N 0.432 120.254 119.800 0.037 0.000 2.482 530 Q HA 0.101 4.442 4.340 0.001 0.000 0.209 530 Q C 1.530 177.551 176.000 0.036 0.000 0.961 530 Q CA 1.322 57.145 55.803 0.032 0.000 0.945 530 Q CB -0.017 28.734 28.738 0.023 0.000 1.012 530 Q HN 0.698 nan 8.270 nan 0.000 0.515 531 D N 0.120 120.547 120.400 0.046 0.000 2.162 531 D HA -0.049 4.592 4.640 0.001 0.000 0.203 531 D C 1.741 178.072 176.300 0.052 0.000 0.967 531 D CA 0.438 54.468 54.000 0.049 0.000 0.840 531 D CB 0.051 40.887 40.800 0.060 0.000 0.972 531 D HN 0.132 nan 8.370 nan 0.000 0.482 532 L N 0.209 121.470 121.223 0.064 0.000 2.131 532 L HA -0.145 4.195 4.340 0.001 0.000 0.210 532 L C 1.998 178.899 176.870 0.053 0.000 1.092 532 L CA 0.536 55.411 54.840 0.058 0.000 0.759 532 L CB -0.216 41.877 42.059 0.058 0.000 0.903 532 L HN 0.140 nan 8.230 nan 0.000 0.435 533 M N -0.213 119.414 119.600 0.045 0.000 2.260 533 M HA -0.243 4.237 4.480 0.001 0.000 0.261 533 M C 1.953 178.273 176.300 0.034 0.000 1.066 533 M CA 1.477 56.801 55.300 0.041 0.000 1.082 533 M CB -0.986 31.632 32.600 0.030 0.000 1.388 533 M HN 0.449 nan 8.290 nan 0.000 0.419 534 Q N 0.404 120.219 119.800 0.025 0.000 2.362 534 Q HA -0.022 4.318 4.340 0.001 0.000 0.215 534 Q C 0.983 176.979 176.000 -0.006 0.000 0.944 534 Q CA 0.362 56.171 55.803 0.009 0.000 0.964 534 Q CB -0.579 28.163 28.738 0.007 0.000 0.998 534 Q HN 0.728 nan 8.270 nan 0.000 0.488 535 M N -3.370 116.233 119.600 0.005 0.000 2.327 535 M HA 0.517 4.997 4.480 0.001 0.000 0.365 535 M C 0.012 176.297 176.300 -0.026 0.000 0.992 535 M CA -0.430 54.843 55.300 -0.044 0.000 0.985 535 M CB 0.935 33.512 32.600 -0.038 0.000 1.673 535 M HN 0.063 nan 8.290 nan 0.000 0.586 536 A N 2.403 125.249 122.820 0.043 0.000 2.770 536 A HA 0.399 4.719 4.320 0.001 0.000 0.292 536 A C 0.100 177.717 177.584 0.055 0.000 1.604 536 A CA -0.219 51.874 52.037 0.094 0.000 1.271 536 A CB -0.474 18.567 19.000 0.067 0.000 1.075 536 A HN 0.654 nan 8.150 nan 0.000 0.573 537 R N 1.687 122.213 120.500 0.045 0.000 2.652 537 R HA 0.453 4.794 4.340 0.001 0.000 0.272 537 R C -2.435 173.956 176.300 0.152 0.000 1.162 537 R CA -1.280 54.865 56.100 0.075 0.000 1.199 537 R CB -0.302 30.034 30.300 0.060 0.000 1.166 537 R HN 0.365 nan 8.270 nan 0.000 0.597 538 P HA 0.195 nan 4.420 nan 0.000 0.286 538 P C -1.080 176.377 177.300 0.260 0.000 1.261 538 P CA -0.340 62.788 63.100 0.046 0.000 0.821 538 P CB 0.361 32.007 31.700 -0.089 0.000 1.013 539 Y N -2.640 117.814 120.300 0.256 0.000 4.929 539 Y HA -0.189 4.361 4.550 0.001 0.000 0.252 539 Y C -0.115 176.051 175.900 0.443 0.000 0.950 539 Y CA 0.330 58.630 58.100 0.333 0.000 1.935 539 Y CB -1.642 37.035 38.460 0.362 0.000 1.440 539 Y HN 0.499 nan 8.280 nan 0.000 0.567 540 W N 3.514 124.903 121.300 0.148 0.000 2.282 540 W HA 0.444 5.104 4.660 0.001 0.000 0.322 540 W C -0.715 175.695 176.519 -0.182 0.000 1.011 540 W CA -0.743 56.531 57.345 -0.119 0.000 1.392 540 W CB 0.657 29.994 29.460 -0.205 0.000 1.215 540 W HN -0.104 nan 8.180 nan 0.000 0.394 541 N N 5.236 123.542 118.700 -0.656 0.000 2.499 541 N HA 0.311 5.052 4.740 0.001 0.000 0.281 541 N C -0.463 174.533 175.510 -0.857 0.000 1.098 541 N CA -0.188 52.453 53.050 -0.682 0.000 0.979 541 N CB 1.584 39.554 38.487 -0.861 0.000 1.121 541 N HN 0.440 nan 8.380 nan 0.000 0.466 542 I N -2.033 118.257 120.570 -0.467 0.000 2.569 542 I HA 0.620 4.790 4.170 0.001 0.000 0.296 542 I C -0.583 175.440 176.117 -0.157 0.000 1.028 542 I CA -0.468 60.629 61.300 -0.339 0.000 1.082 542 I CB 1.979 39.864 38.000 -0.192 0.000 1.264 542 I HN 0.355 nan 8.210 nan 0.000 0.429 543 E N 5.551 125.711 120.200 -0.066 0.000 2.343 543 E HA 0.726 5.077 4.350 0.001 0.000 0.270 543 E C -1.552 175.091 176.600 0.071 0.000 0.895 543 E CA -0.862 55.563 56.400 0.041 0.000 0.767 543 E CB 2.771 32.565 29.700 0.156 0.000 1.248 543 E HN 0.578 nan 8.360 nan 0.000 0.440 544 L N 2.847 124.122 121.223 0.086 0.000 2.362 544 L HA 0.643 4.984 4.340 0.001 0.000 0.271 544 L C -0.550 176.389 176.870 0.116 0.000 1.002 544 L CA -0.608 54.287 54.840 0.092 0.000 0.818 544 L CB 1.324 43.426 42.059 0.071 0.000 1.298 544 L HN 0.385 nan 8.230 nan 0.000 0.420 545 I N 0.743 121.375 120.570 0.102 0.000 3.239 545 I HA 0.555 4.725 4.170 0.001 0.000 0.314 545 I C -2.293 173.771 176.117 -0.088 0.000 1.126 545 I CA -1.689 59.647 61.300 0.061 0.000 0.973 545 I CB 2.247 40.340 38.000 0.155 0.000 1.252 545 I HN 0.393 nan 8.210 nan 0.000 0.463 546 P HA 0.266 nan 4.420 nan 0.000 0.184 546 P C -0.759 176.381 177.300 -0.266 0.000 1.074 546 P CA -0.124 62.888 63.100 -0.146 0.000 0.790 546 P CB 0.705 32.387 31.700 -0.030 0.000 0.843 547 S N -1.713 113.895 115.700 -0.154 0.000 2.754 547 S HA 0.437 4.907 4.470 0.001 0.000 0.302 547 S C -1.438 173.019 174.600 -0.237 0.000 0.922 547 S CA -0.746 57.312 58.200 -0.236 0.000 0.822 547 S CB 0.120 63.017 63.200 -0.505 0.000 1.020 547 S HN 0.041 nan 8.310 nan 0.000 0.475 548 R N 1.582 121.987 120.500 -0.158 0.000 3.270 548 R HA 0.677 5.018 4.340 0.001 0.000 0.252 548 R C -0.370 175.893 176.300 -0.061 0.000 1.331 548 R CA -0.751 55.298 56.100 -0.085 0.000 1.028 548 R CB 0.457 30.750 30.300 -0.012 0.000 1.450 548 R HN 0.928 nan 8.270 nan 0.000 0.471 564 H N 2.413 121.514 119.070 0.052 0.000 2.685 564 H HA 0.362 4.919 4.556 0.001 0.000 0.307 564 H C -2.296 173.055 175.328 0.039 0.000 1.017 564 H CA -1.643 54.448 56.048 0.071 0.000 1.237 564 H CB 1.277 31.081 29.762 0.070 0.000 1.409 564 H HN 0.322 nan 8.280 nan 0.000 0.488 565 P HA 0.056 nan 4.420 nan 0.000 0.269 565 P C -0.461 176.902 177.300 0.105 0.000 1.217 565 P CA -0.397 62.772 63.100 0.115 0.000 0.783 565 P CB 0.666 32.444 31.700 0.130 0.000 0.898 566 A N 2.001 124.880 122.820 0.097 0.000 2.488 566 A HA 0.116 4.436 4.320 0.001 0.000 0.249 566 A C -0.077 177.634 177.584 0.211 0.000 1.083 566 A CA 0.093 52.193 52.037 0.105 0.000 0.768 566 A CB -0.700 18.392 19.000 0.154 0.000 1.017 566 A HN 0.624 nan 8.150 nan 0.000 0.496 567 H N 0.709 119.791 119.070 0.019 0.000 2.482 567 H HA 0.525 5.081 4.556 0.001 0.000 0.344 567 H C -0.619 174.591 175.328 -0.196 0.000 1.151 567 H CA -0.604 55.310 56.048 -0.224 0.000 1.300 567 H CB 1.357 31.043 29.762 -0.126 0.000 1.494 567 H HN 0.552 nan 8.280 nan 0.000 0.542 568 I N 3.113 123.526 120.570 -0.263 0.000 2.389 568 I HA 0.139 4.310 4.170 0.001 0.000 0.288 568 I C -1.155 174.884 176.117 -0.129 0.000 0.999 568 I CA -0.610 60.565 61.300 -0.208 0.000 1.129 568 I CB 1.680 39.456 38.000 -0.375 0.000 1.288 568 I HN 0.202 nan 8.210 nan 0.000 0.444 569 L N 7.152 128.375 121.223 -0.000 0.000 2.356 569 L HA 0.915 5.255 4.340 0.001 0.000 0.277 569 L C -0.840 175.982 176.870 -0.081 0.000 0.996 569 L CA -0.083 54.777 54.840 0.032 0.000 0.822 569 L CB 1.614 43.793 42.059 0.200 0.000 1.256 569 L HN 0.682 nan 8.230 nan 0.000 0.413 570 A N 4.297 126.978 122.820 -0.232 0.000 2.486 570 A HA 0.833 5.153 4.320 0.001 0.000 0.300 570 A C -1.936 175.190 177.584 -0.763 0.000 1.048 570 A CA -0.385 51.276 52.037 -0.627 0.000 0.696 570 A CB 1.203 19.793 19.000 -0.684 0.000 1.278 570 A HN 0.884 nan 8.150 nan 0.000 0.405 571 Y N -1.367 118.305 120.300 -1.047 0.000 2.592 571 Y HA 0.681 5.231 4.550 0.001 0.000 0.334 571 Y C -1.247 174.397 175.900 -0.426 0.000 1.136 571 Y CA -1.475 56.280 58.100 -0.576 0.000 1.042 571 Y CB 0.696 39.087 38.460 -0.114 0.000 1.325 571 Y HN 0.587 nan 8.280 nan 0.000 0.457 572 Y N 1.691 122.113 120.300 0.203 0.000 2.359 572 Y HA 0.461 5.011 4.550 0.001 0.000 0.330 572 Y C 0.598 176.699 175.900 0.334 0.000 1.143 572 Y CA 0.481 58.789 58.100 0.346 0.000 1.318 572 Y CB 1.444 40.169 38.460 0.442 0.000 1.234 572 Y HN 0.735 nan 8.280 nan 0.000 0.522 573 S N 4.028 120.026 115.700 0.496 0.000 2.572 573 S HA 0.357 4.827 4.470 0.001 0.000 0.274 573 S C -0.638 174.199 174.600 0.395 0.000 1.150 573 S CA -0.824 57.631 58.200 0.426 0.000 0.944 573 S CB 0.567 64.035 63.200 0.447 0.000 1.071 573 S HN 0.718 nan 8.310 nan 0.000 0.479 574 L N 3.707 125.100 121.223 0.285 0.000 2.779 574 L HA 0.414 4.755 4.340 0.001 0.000 0.239 574 L C 1.469 178.490 176.870 0.251 0.000 1.245 574 L CA 0.249 55.236 54.840 0.245 0.000 1.064 574 L CB -0.498 41.616 42.059 0.091 0.000 1.350 574 L HN 0.759 nan 8.230 nan 0.000 0.455 575 A N -0.874 122.104 122.820 0.263 0.000 2.066 575 A HA 0.664 4.985 4.320 0.001 0.000 0.198 575 A C 1.107 178.791 177.584 0.167 0.000 1.405 575 A CA 0.504 52.662 52.037 0.202 0.000 0.973 575 A CB 0.392 19.527 19.000 0.225 0.000 1.026 575 A HN 0.441 nan 8.150 nan 0.000 0.474 576 G N -0.613 108.293 108.800 0.177 0.000 2.582 576 G HA2 -0.063 3.898 3.960 0.001 0.000 0.222 576 G HA3 -0.063 3.898 3.960 0.001 0.000 0.222 576 G C -0.678 174.274 174.900 0.086 0.000 1.311 576 G CA -0.303 44.859 45.100 0.103 0.000 0.915 576 G HN 0.554 nan 8.290 nan 0.000 0.528 577 Q N 0.486 120.306 119.800 0.033 0.000 2.261 577 Q HA 0.506 4.847 4.340 0.001 0.000 0.252 577 Q C 0.759 176.760 176.000 0.003 0.000 0.915 577 Q CA -0.439 55.366 55.803 0.004 0.000 0.915 577 Q CB 0.729 29.448 28.738 -0.032 0.000 1.204 577 Q HN 0.565 nan 8.270 nan 0.000 0.421 578 R N 1.040 121.516 120.500 -0.040 0.000 2.623 578 R HA 0.024 4.364 4.340 0.001 0.000 0.271 578 R C 0.662 176.917 176.300 -0.075 0.000 1.043 578 R CA 0.201 56.248 56.100 -0.089 0.000 1.083 578 R CB -0.023 30.042 30.300 -0.393 0.000 0.974 578 R HN 0.595 nan 8.270 nan 0.000 0.436 579 T N 0.419 114.954 114.554 -0.030 0.000 2.985 579 T HA -0.094 4.257 4.350 0.001 0.000 0.266 579 T C 0.676 175.350 174.700 -0.042 0.000 1.076 579 T CA 1.209 63.291 62.100 -0.030 0.000 1.135 579 T CB -0.133 68.728 68.868 -0.011 0.000 0.890 579 T HN 0.745 nan 8.240 nan 0.000 0.480 580 D N 0.377 120.754 120.400 -0.037 0.000 2.370 580 D HA 0.080 4.720 4.640 0.001 0.000 0.230 580 D C -0.112 176.159 176.300 -0.048 0.000 1.143 580 D CA -0.514 53.486 54.000 0.000 0.000 0.834 580 D CB -1.435 39.460 40.800 0.159 0.000 0.944 580 D HN 0.210 nan 8.370 nan 0.000 0.504 581 C N 1.991 121.219 119.300 -0.121 0.000 2.634 581 C HA 0.186 4.647 4.460 0.001 0.000 0.418 581 C C -1.449 173.507 174.990 -0.058 0.000 1.373 581 C CA -0.910 58.021 59.018 -0.145 0.000 1.756 581 C CB -0.276 27.390 27.740 -0.124 0.000 2.589 581 C HN 0.350 nan 8.230 nan 0.000 0.602 582 P HA 0.108 nan 4.420 nan 0.000 0.273 582 P C 0.917 178.225 177.300 0.013 0.000 1.258 582 P CA 0.131 63.241 63.100 0.017 0.000 0.802 582 P CB 0.317 32.047 31.700 0.049 0.000 1.040 583 T N -1.334 113.234 114.554 0.023 0.000 2.896 583 T HA -0.099 4.252 4.350 0.001 0.000 0.263 583 T C 1.547 176.264 174.700 0.028 0.000 1.050 583 T CA 1.845 63.957 62.100 0.019 0.000 1.140 583 T CB -1.006 67.874 68.868 0.019 0.000 0.877 583 T HN 0.656 nan 8.240 nan 0.000 0.457 584 T N 0.269 114.847 114.554 0.041 0.000 3.139 584 T HA 0.069 4.420 4.350 0.001 0.000 0.267 584 T C 0.408 175.147 174.700 0.066 0.000 1.164 584 T CA 0.124 62.254 62.100 0.051 0.000 1.075 584 T CB -0.546 68.359 68.868 0.061 0.000 0.904 584 T HN 0.080 nan 8.240 nan 0.000 0.540 585 V N 0.866 120.816 119.914 0.060 0.000 2.588 585 V HA 0.552 4.673 4.120 0.001 0.000 0.304 585 V C -0.212 175.906 176.094 0.040 0.000 1.042 585 V CA -1.179 61.167 62.300 0.076 0.000 0.877 585 V CB 2.010 33.889 31.823 0.093 0.000 0.996 585 V HN 0.262 nan 8.190 nan 0.000 0.425 586 R N 2.648 123.176 120.500 0.047 0.000 2.494 586 R HA 0.750 5.090 4.340 0.001 0.000 0.305 586 R C -1.482 174.828 176.300 0.017 0.000 0.959 586 R CA -0.501 55.614 56.100 0.026 0.000 0.864 586 R CB 2.091 32.408 30.300 0.029 0.000 1.159 586 R HN 0.566 nan 8.270 nan 0.000 0.446 587 V N 5.860 125.772 119.914 -0.004 0.000 2.347 587 V HA 0.306 4.426 4.120 0.001 0.000 0.280 587 V C 0.315 176.397 176.094 -0.020 0.000 1.021 587 V CA -0.802 61.486 62.300 -0.021 0.000 0.847 587 V CB 1.334 33.134 31.823 -0.039 0.000 0.990 587 V HN 0.650 nan 8.190 nan 0.000 0.444 588 L N 5.511 126.721 121.223 -0.022 0.000 2.410 588 L HA 0.369 4.710 4.340 0.001 0.000 0.273 588 L C 0.587 177.447 176.870 -0.017 0.000 1.152 588 L CA 0.215 55.047 54.840 -0.012 0.000 0.855 588 L CB 0.542 42.599 42.059 -0.003 0.000 1.129 588 L HN 0.638 nan 8.230 nan 0.000 0.463 589 K N 4.406 124.801 120.400 -0.009 0.000 2.920 589 K HA 0.230 4.551 4.320 0.001 0.000 0.175 589 K C -0.857 175.742 176.600 -0.001 0.000 1.099 589 K CA -0.526 55.756 56.287 -0.009 0.000 0.939 589 K CB 0.894 33.386 32.500 -0.014 0.000 1.148 589 K HN 0.521 nan 8.250 nan 0.000 0.613 590 E N -0.289 119.915 120.200 0.005 0.000 7.835 590 E HA -0.176 4.174 4.350 0.001 0.000 0.160 590 E C -2.628 173.976 176.600 0.007 0.000 1.465 590 E CA 0.269 56.674 56.400 0.008 0.000 2.539 590 E CB -1.341 28.362 29.700 0.004 0.000 1.573 590 E HN 0.272 nan 8.360 nan 0.000 0.447 591 P HA -0.068 nan 4.420 nan 0.000 0.252 591 P C 0.286 177.589 177.300 0.004 0.000 1.147 591 P CA 0.528 63.632 63.100 0.006 0.000 0.779 591 P CB -0.042 31.661 31.700 0.005 0.000 0.733 592 I N 0.000 120.573 120.570 0.006 0.000 2.984 592 I HA 0.000 4.170 4.170 0.001 0.000 0.288 592 I CA 0.000 61.302 61.300 0.004 0.000 1.566 592 I CB 0.000 38.004 38.000 0.006 0.000 1.214 592 I HN 0.000 nan 8.210 nan 0.000 0.494