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 2cg2_1_A DATA FIRST_RESID 20 DATA SEQUENCE TTAPKPPSAF TVEAQRRVEA ELPFADRADF ERADRGLIRR PERLLIRNPD DATA SEQUENCE GSVAWQLGGY DFLLDGKPRD SINPSLQRQA LLNLKYGLFE VAEGIYQVRG DATA SEQUENCE FDLANITFIR GDSGWIVVDT LTTPATARAA YELVSRELGE RPIRTVIYSH DATA SEQUENCE AHADHFGGVR GLVEPQQVAS GAVQIIAPAG FMEAAIKENV LAGNAMMRRA DATA SEQUENCE TYQYGTQLPK GPQGQVDMAI GKGLARGPLS LLAPTRLIEG EGEDLVLDGV DATA SEQUENCE PFTFQNTPGT ESPAEMNIWL PRQKALLMAE NVVGTLHNLY TLRGAEVRDA DATA SEQUENCE LGWSKYINQA LHRFGRQAEV MFAVHNWPRW GNAEIVEVLE KQRDLYGYLH DATA SEQUENCE DQTLHLANQG VTIGQVHNRL RLPPSLDQEW YDRGYHGSVS HNARAVLNRY DATA SEQUENCE LGYYDGNPAT LDPLSPEDSA GRYVEYMGGA ERLLEQARAS YARGEYRWVV DATA SEQUENCE EVVNRLVFAE PDNRAARELQ ADALEQLGYQ AENAGWRNSY LSAAYELRHG DATA SEQUENCE VPRDXXXXXX GSADALAAMD TGLLFDYLGV RLDAGAAEGK ALSINLRLPD DATA SEQUENCE IGENYLLELK NSHLNNLRGV QSEDAGQTVS IDRADLNRLL LKEVSAVRLV DATA SEQUENCE FEGKLKSSGN PLLLGQLFGM LGDFDFWFDI VTPAAK 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 20 T HA 0.000 nan 4.350 nan 0.000 0.228 20 T C 0.000 174.655 174.700 -0.074 0.000 1.109 20 T CA 0.000 62.071 62.100 -0.049 0.000 1.349 20 T CB 0.000 68.850 68.868 -0.030 0.000 0.612 21 T N 0.840 115.353 114.554 -0.068 0.000 3.266 21 T HA 0.714 5.064 4.350 -0.000 0.000 0.278 21 T C 0.499 175.172 174.700 -0.046 0.000 1.010 21 T CA 0.120 62.144 62.100 -0.126 0.000 0.909 21 T CB 0.146 68.950 68.868 -0.108 0.000 1.122 21 T HN 1.061 nan 8.240 nan 0.000 0.536 22 A N 1.701 124.515 122.820 -0.010 0.000 2.354 22 A HA 0.874 5.194 4.320 -0.000 0.000 0.321 22 A C -2.921 174.681 177.584 0.029 0.000 1.125 22 A CA -2.312 49.745 52.037 0.034 0.000 0.799 22 A CB 0.722 19.745 19.000 0.039 0.000 1.293 22 A HN 0.204 nan 8.150 nan 0.000 0.452 23 P HA 0.161 nan 4.420 nan 0.000 0.266 23 P C -0.575 176.794 177.300 0.115 0.000 1.195 23 P CA 0.132 63.296 63.100 0.107 0.000 0.768 23 P CB 0.390 32.189 31.700 0.164 0.000 0.838 24 K N 3.860 124.345 120.400 0.142 0.000 2.090 24 K HA 0.495 4.815 4.320 -0.000 0.000 0.249 24 K C -2.292 174.443 176.600 0.226 0.000 0.995 24 K CA -2.530 53.843 56.287 0.143 0.000 0.914 24 K CB -0.664 31.904 32.500 0.114 0.000 1.057 24 K HN 0.212 nan 8.250 nan 0.000 0.462 25 P HA 0.177 nan 4.420 nan 0.000 0.270 25 P C -2.452 174.978 177.300 0.216 0.000 1.223 25 P CA -1.173 61.999 63.100 0.120 0.000 0.785 25 P CB -0.404 31.340 31.700 0.074 0.000 0.923 26 P HA 0.004 nan 4.420 nan 0.000 0.265 26 P C 0.147 177.557 177.300 0.183 0.000 1.193 26 P CA 0.283 63.509 63.100 0.210 0.000 0.765 26 P CB 0.093 31.823 31.700 0.051 0.000 0.823 27 S N 2.167 118.003 115.700 0.226 0.000 2.634 27 S HA 0.394 4.864 4.470 -0.000 0.000 0.261 27 S C 1.547 176.247 174.600 0.167 0.000 1.271 27 S CA 0.002 58.340 58.200 0.229 0.000 0.985 27 S CB 0.466 63.875 63.200 0.349 0.000 0.968 27 S HN 0.443 nan 8.310 nan 0.000 0.568 28 A N 0.629 123.496 122.820 0.079 0.000 1.940 28 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 28 A C 1.754 179.263 177.584 -0.124 0.000 1.176 28 A CA 1.445 53.427 52.037 -0.092 0.000 0.631 28 A CB -1.203 17.639 19.000 -0.263 0.000 0.814 28 A HN 0.812 nan 8.150 nan 0.000 0.446 29 F N 0.182 120.186 119.950 0.090 0.000 2.146 29 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 29 F C 2.756 178.635 175.800 0.133 0.000 1.096 29 F CA 1.687 59.733 58.000 0.077 0.000 1.275 29 F CB -0.807 38.197 39.000 0.006 0.000 1.008 29 F HN 0.110 nan 8.300 nan 0.000 0.480 30 T N -0.254 114.526 114.554 0.376 0.000 2.746 30 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 30 T C 2.233 177.040 174.700 0.179 0.000 1.039 30 T CA 1.287 63.556 62.100 0.283 0.000 1.142 30 T CB -0.538 68.499 68.868 0.283 0.000 0.866 30 T HN 0.005 nan 8.240 nan 0.000 0.444 31 V N 1.586 121.575 119.914 0.126 0.000 2.287 31 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 31 V C 2.723 178.850 176.094 0.055 0.000 1.053 31 V CA 1.590 63.929 62.300 0.065 0.000 1.027 31 V CB -0.489 31.349 31.823 0.026 0.000 0.646 31 V HN 0.422 nan 8.190 nan 0.000 0.447 32 E N 0.004 120.232 120.200 0.047 0.000 2.160 32 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 32 E C 2.269 178.916 176.600 0.079 0.000 0.991 32 E CA 1.478 57.903 56.400 0.041 0.000 0.810 32 E CB -0.163 29.548 29.700 0.017 0.000 0.742 32 E HN 0.570 nan 8.360 nan 0.000 0.466 33 A N 0.843 123.735 122.820 0.120 0.000 1.929 33 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 33 A C 2.045 179.699 177.584 0.116 0.000 1.176 33 A CA 0.968 53.082 52.037 0.128 0.000 0.628 33 A CB -0.231 18.867 19.000 0.163 0.000 0.816 33 A HN 0.130 nan 8.150 nan 0.000 0.444 34 Q N -0.099 119.767 119.800 0.109 0.000 2.084 34 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 34 Q C 2.076 178.116 176.000 0.067 0.000 0.978 34 Q CA 1.067 56.927 55.803 0.096 0.000 0.844 34 Q CB -0.484 28.298 28.738 0.073 0.000 0.898 34 Q HN 0.503 nan 8.270 nan 0.000 0.426 35 R N 0.634 121.162 120.500 0.047 0.000 2.096 35 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 35 R C 2.200 178.530 176.300 0.050 0.000 1.127 35 R CA 1.081 57.198 56.100 0.027 0.000 0.968 35 R CB -0.511 29.799 30.300 0.015 0.000 0.861 35 R HN 0.159 nan 8.270 nan 0.000 0.440 36 R N 0.692 121.231 120.500 0.066 0.000 2.096 36 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 36 R C 2.141 178.501 176.300 0.099 0.000 1.127 36 R CA 1.069 57.212 56.100 0.072 0.000 0.968 36 R CB -0.528 29.814 30.300 0.069 0.000 0.861 36 R HN -0.003 nan 8.270 nan 0.000 0.440 37 V N 0.906 120.898 119.914 0.131 0.000 2.287 37 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 37 V C 1.968 178.257 176.094 0.324 0.000 1.053 37 V CA 2.314 64.739 62.300 0.209 0.000 1.027 37 V CB -0.504 31.471 31.823 0.253 0.000 0.646 37 V HN 0.436 nan 8.190 nan 0.000 0.447 38 E N 0.132 120.464 120.200 0.220 0.000 2.160 38 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 38 E C 2.212 178.943 176.600 0.219 0.000 0.991 38 E CA 1.307 57.803 56.400 0.159 0.000 0.810 38 E CB -0.328 29.296 29.700 -0.126 0.000 0.742 38 E HN 0.624 nan 8.360 nan 0.000 0.466 39 A N 0.744 123.646 122.820 0.136 0.000 2.014 39 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 39 A C 1.719 179.361 177.584 0.097 0.000 1.163 39 A CA 1.029 53.127 52.037 0.101 0.000 0.652 39 A CB -0.041 18.995 19.000 0.061 0.000 0.808 39 A HN 0.118 nan 8.150 nan 0.000 0.449 40 E N -1.069 119.195 120.200 0.107 0.000 2.364 40 E HA 0.257 4.607 4.350 -0.000 0.000 0.196 40 E C -0.287 176.304 176.600 -0.015 0.000 0.990 40 E CA -0.094 56.328 56.400 0.036 0.000 0.886 40 E CB 0.243 29.951 29.700 0.015 0.000 0.866 40 E HN 0.487 nan 8.360 nan 0.000 0.493 41 L N 1.863 123.117 121.223 0.053 0.000 2.334 41 L HA 0.368 4.708 4.340 -0.000 0.000 0.273 41 L C -2.223 174.592 176.870 -0.092 0.000 1.013 41 L CA -2.325 52.401 54.840 -0.191 0.000 0.816 41 L CB 1.475 43.318 42.059 -0.360 0.000 1.278 41 L HN -0.199 nan 8.230 nan 0.000 0.431 42 P HA 0.088 nan 4.420 nan 0.000 0.230 42 P C 0.558 178.083 177.300 0.376 0.000 1.791 42 P CA -0.102 62.998 63.100 -0.001 0.000 1.020 42 P CB -0.262 31.355 31.700 -0.140 0.000 1.977 43 F N 1.348 121.598 119.950 0.499 0.000 2.307 43 F HA -0.175 4.352 4.527 -0.000 0.000 0.301 43 F C 2.503 178.466 175.800 0.272 0.000 1.076 43 F CA 1.362 59.640 58.000 0.464 0.000 1.383 43 F CB -0.813 38.357 39.000 0.284 0.000 1.055 43 F HN 0.208 nan 8.300 nan 0.000 0.526 44 A N -0.849 122.187 122.820 0.360 0.000 2.019 44 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 44 A C 1.000 178.714 177.584 0.218 0.000 1.164 44 A CA 1.195 53.368 52.037 0.227 0.000 0.644 44 A CB -0.669 18.429 19.000 0.163 0.000 0.805 44 A HN 0.225 nan 8.150 nan 0.000 0.449 45 D N 0.063 120.637 120.400 0.291 0.000 2.416 45 D HA 0.144 4.784 4.640 -0.000 0.000 0.240 45 D C 0.770 177.248 176.300 0.297 0.000 1.250 45 D CA 0.067 54.250 54.000 0.306 0.000 0.967 45 D CB -0.027 41.000 40.800 0.379 0.000 1.059 45 D HN 0.276 nan 8.370 nan 0.000 0.512 46 R N 2.588 123.216 120.500 0.213 0.000 2.427 46 R HA 0.236 4.576 4.340 -0.000 0.000 0.262 46 R C 1.662 178.103 176.300 0.235 0.000 0.943 46 R CA 0.090 56.329 56.100 0.233 0.000 1.081 46 R CB 0.543 30.919 30.300 0.126 0.000 1.166 46 R HN 0.400 nan 8.270 nan 0.000 0.534 47 A N 1.326 124.257 122.820 0.185 0.000 1.978 47 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 47 A C 1.406 179.051 177.584 0.101 0.000 1.170 47 A CA 1.558 53.688 52.037 0.155 0.000 0.636 47 A CB -0.177 18.932 19.000 0.181 0.000 0.810 47 A HN 0.162 nan 8.150 nan 0.000 0.448 48 D N -0.834 119.585 120.400 0.032 0.000 2.190 48 D HA -0.155 4.485 4.640 -0.000 0.000 0.200 48 D C 1.475 177.435 176.300 -0.567 0.000 0.992 48 D CA 1.094 54.943 54.000 -0.250 0.000 0.854 48 D CB -0.365 40.221 40.800 -0.356 0.000 0.936 48 D HN 0.558 nan 8.370 nan 0.000 0.462 49 F N 1.142 120.927 119.950 -0.275 0.000 2.186 49 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 49 F C 2.487 178.185 175.800 -0.169 0.000 1.090 49 F CA 0.824 58.674 58.000 -0.251 0.000 1.307 49 F CB -0.056 38.840 39.000 -0.174 0.000 1.019 49 F HN -0.101 nan 8.300 nan 0.000 0.489 50 E N 0.919 121.156 120.200 0.062 0.000 2.028 50 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 50 E C 2.376 178.970 176.600 -0.010 0.000 0.988 50 E CA 1.137 57.550 56.400 0.023 0.000 0.799 50 E CB -0.159 29.558 29.700 0.030 0.000 0.755 50 E HN 0.335 nan 8.360 nan 0.000 0.447 51 R N 0.006 120.516 120.500 0.016 0.000 2.103 51 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 51 R C 2.356 178.715 176.300 0.099 0.000 1.142 51 R CA 1.517 57.730 56.100 0.188 0.000 0.960 51 R CB -0.402 30.101 30.300 0.339 0.000 0.858 51 R HN 0.160 nan 8.270 nan 0.000 0.439 52 A N 0.476 123.135 122.820 -0.269 0.000 2.119 52 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 52 A C 1.207 178.752 177.584 -0.065 0.000 1.153 52 A CA 1.244 53.095 52.037 -0.311 0.000 0.692 52 A CB 0.067 18.666 19.000 -0.668 0.000 0.799 52 A HN 0.145 nan 8.150 nan 0.000 0.458 53 D N -1.214 119.211 120.400 0.042 0.000 2.389 53 D HA 0.065 4.705 4.640 -0.000 0.000 0.206 53 D C 0.894 177.328 176.300 0.224 0.000 1.055 53 D CA -0.013 54.108 54.000 0.202 0.000 0.856 53 D CB -0.026 40.837 40.800 0.104 0.000 0.957 53 D HN 0.371 nan 8.370 nan 0.000 0.509 54 R N 0.208 120.767 120.500 0.098 0.000 2.538 54 R HA 0.198 4.538 4.340 -0.000 0.000 0.282 54 R C 1.015 177.414 176.300 0.164 0.000 1.009 54 R CA 1.168 57.245 56.100 -0.039 0.000 1.063 54 R CB 0.073 30.093 30.300 -0.467 0.000 0.945 54 R HN 0.154 nan 8.270 nan 0.000 0.414 55 G N 3.497 112.350 108.800 0.089 0.000 2.155 55 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 55 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 55 G C -0.096 174.937 174.900 0.222 0.000 0.983 55 G CA 0.197 45.397 45.100 0.166 0.000 0.676 55 G HN 0.575 nan 8.290 nan 0.000 0.528 56 L N 0.428 121.753 121.223 0.170 0.000 2.513 56 L HA 0.501 4.841 4.340 -0.000 0.000 0.272 56 L C 1.385 178.155 176.870 -0.167 0.000 1.187 56 L CA 0.548 55.273 54.840 -0.190 0.000 0.895 56 L CB 0.369 42.313 42.059 -0.192 0.000 1.147 56 L HN 0.186 nan 8.230 nan 0.000 0.483 57 I N 2.762 123.185 120.570 -0.244 0.000 2.899 57 I HA 0.219 4.389 4.170 -0.000 0.000 0.257 57 I C 0.347 176.359 176.117 -0.176 0.000 1.115 57 I CA -0.007 61.205 61.300 -0.146 0.000 1.451 57 I CB 0.144 38.084 38.000 -0.100 0.000 1.251 57 I HN 0.599 nan 8.210 nan 0.000 0.456 58 R N 0.862 121.214 120.500 -0.247 0.000 2.508 58 R HA 0.319 4.658 4.340 -0.000 0.000 0.283 58 R C -0.982 175.175 176.300 -0.238 0.000 1.120 58 R CA -0.486 55.501 56.100 -0.189 0.000 0.958 58 R CB 1.025 31.255 30.300 -0.116 0.000 1.215 58 R HN -0.038 nan 8.270 nan 0.000 0.427 59 R N 5.459 125.810 120.500 -0.249 0.000 2.280 59 R HA 0.450 4.790 4.340 -0.000 0.000 0.326 59 R C -2.072 174.145 176.300 -0.137 0.000 1.080 59 R CA -1.722 54.175 56.100 -0.337 0.000 1.002 59 R CB 0.717 30.718 30.300 -0.497 0.000 1.136 59 R HN 0.398 nan 8.270 nan 0.000 0.509 60 P HA -0.018 nan 4.420 nan 0.000 0.265 60 P C 0.003 177.427 177.300 0.207 0.000 1.193 60 P CA 0.014 63.211 63.100 0.161 0.000 0.765 60 P CB 0.990 32.847 31.700 0.263 0.000 0.823 61 E N 2.252 122.527 120.200 0.125 0.000 2.070 61 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 61 E C 0.190 176.890 176.600 0.165 0.000 1.004 61 E CA 1.627 58.096 56.400 0.115 0.000 0.805 61 E CB 0.125 29.864 29.700 0.064 0.000 0.744 61 E HN 0.376 nan 8.360 nan 0.000 0.451 62 R N -0.829 119.748 120.500 0.128 0.000 2.740 62 R HA 0.514 4.854 4.340 -0.000 0.000 0.282 62 R C -1.508 174.822 176.300 0.049 0.000 0.969 62 R CA -0.959 55.189 56.100 0.079 0.000 0.918 62 R CB 1.755 32.073 30.300 0.030 0.000 1.175 62 R HN -0.015 nan 8.270 nan 0.000 0.464 63 L N 3.055 124.238 121.223 -0.065 0.000 2.349 63 L HA 0.555 4.895 4.340 -0.000 0.000 0.278 63 L C -1.842 174.947 176.870 -0.135 0.000 0.996 63 L CA -0.793 53.957 54.840 -0.150 0.000 0.825 63 L CB 1.675 43.522 42.059 -0.353 0.000 1.243 63 L HN 0.448 nan 8.230 nan 0.000 0.412 64 L N 6.890 128.066 121.223 -0.078 0.000 2.491 64 L HA 0.608 4.948 4.340 -0.000 0.000 0.267 64 L C -1.430 175.439 176.870 -0.001 0.000 0.971 64 L CA -0.217 54.597 54.840 -0.044 0.000 0.857 64 L CB 1.549 43.587 42.059 -0.034 0.000 1.226 64 L HN 0.500 nan 8.230 nan 0.000 0.408 65 I N 4.760 125.358 120.570 0.047 0.000 2.406 65 I HA 0.517 4.687 4.170 -0.000 0.000 0.290 65 I C -0.125 176.036 176.117 0.074 0.000 0.999 65 I CA -0.673 60.670 61.300 0.072 0.000 1.124 65 I CB 1.755 39.820 38.000 0.108 0.000 1.289 65 I HN 0.498 nan 8.210 nan 0.000 0.441 66 R N 4.263 124.796 120.500 0.056 0.000 2.532 66 R HA 0.451 4.791 4.340 -0.000 0.000 0.295 66 R C -0.585 175.744 176.300 0.048 0.000 0.968 66 R CA -0.893 55.234 56.100 0.045 0.000 0.916 66 R CB 1.269 31.587 30.300 0.030 0.000 1.124 66 R HN 0.495 nan 8.270 nan 0.000 0.463 67 N N 2.178 120.903 118.700 0.042 0.000 2.493 67 N HA 0.124 4.864 4.740 -0.000 0.000 0.275 67 N C -1.763 173.765 175.510 0.031 0.000 1.186 67 N CA -1.659 51.414 53.050 0.038 0.000 0.978 67 N CB 0.724 39.230 38.487 0.032 0.000 1.184 67 N HN 0.280 nan 8.380 nan 0.000 0.487 68 P HA -0.169 nan 4.420 nan 0.000 0.216 68 P C 0.552 177.863 177.300 0.019 0.000 1.154 68 P CA 1.408 64.523 63.100 0.025 0.000 0.865 68 P CB 0.091 31.806 31.700 0.026 0.000 0.789 69 D N -1.790 118.620 120.400 0.017 0.000 2.378 69 D HA 0.021 4.661 4.640 -0.000 0.000 0.227 69 D C 1.429 177.736 176.300 0.011 0.000 1.012 69 D CA 0.874 54.881 54.000 0.012 0.000 0.905 69 D CB -0.999 39.806 40.800 0.009 0.000 0.895 69 D HN 0.294 nan 8.370 nan 0.000 0.532 70 G N 0.097 108.905 108.800 0.014 0.000 2.199 70 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.254 70 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.254 70 G C 0.503 175.409 174.900 0.011 0.000 0.982 70 G CA 0.554 45.661 45.100 0.012 0.000 0.632 70 G HN 0.863 nan 8.290 nan 0.000 0.529 71 S N -0.766 114.941 115.700 0.012 0.000 2.587 71 S HA 0.533 5.003 4.470 -0.000 0.000 0.260 71 S C 0.383 174.995 174.600 0.019 0.000 1.353 71 S CA 0.054 58.261 58.200 0.012 0.000 0.995 71 S CB 2.000 65.207 63.200 0.011 0.000 0.912 71 S HN 1.072 nan 8.310 nan 0.000 0.568 72 V N 2.157 122.082 119.914 0.018 0.000 2.383 72 V HA 0.521 4.641 4.120 -0.000 0.000 0.275 72 V C 1.165 177.293 176.094 0.057 0.000 1.036 72 V CA -0.009 62.307 62.300 0.027 0.000 0.889 72 V CB 0.463 32.287 31.823 0.001 0.000 0.985 72 V HN 1.131 nan 8.190 nan 0.000 0.459 73 A N 5.284 128.161 122.820 0.094 0.000 1.935 73 A HA 0.117 4.437 4.320 -0.000 0.000 0.214 73 A C 0.601 178.356 177.584 0.285 0.000 1.178 73 A CA 0.602 52.728 52.037 0.148 0.000 0.640 73 A CB 0.260 19.339 19.000 0.131 0.000 0.825 73 A HN 0.791 nan 8.150 nan 0.000 0.447 74 W N -0.100 121.183 121.300 -0.029 0.000 3.818 74 W HA 0.427 5.087 4.660 -0.000 0.000 0.283 74 W C -2.182 174.291 176.519 -0.077 0.000 1.265 74 W CA -0.379 56.941 57.345 -0.041 0.000 1.226 74 W CB 0.748 30.174 29.460 -0.056 0.000 1.281 74 W HN 0.453 nan 8.180 nan 0.000 0.539 75 Q N 3.404 122.848 119.800 -0.593 0.000 2.522 75 Q HA 0.450 4.790 4.340 -0.000 0.000 0.285 75 Q C -1.381 174.232 176.000 -0.645 0.000 0.982 75 Q CA -0.861 54.654 55.803 -0.480 0.000 0.805 75 Q CB 2.351 30.938 28.738 -0.251 0.000 1.457 75 Q HN 0.560 nan 8.270 nan 0.000 0.394 76 L N 0.634 121.603 121.223 -0.424 0.000 2.817 76 L HA 0.323 4.663 4.340 -0.000 0.000 0.248 76 L C 1.777 178.581 176.870 -0.110 0.000 1.133 76 L CA 0.554 55.245 54.840 -0.249 0.000 0.935 76 L CB 0.438 42.288 42.059 -0.349 0.000 1.266 76 L HN 1.041 nan 8.230 nan 0.000 0.535 77 G N 0.553 109.263 108.800 -0.150 0.000 2.475 77 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.220 77 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.220 77 G C 1.531 176.377 174.900 -0.091 0.000 1.125 77 G CA 0.849 45.896 45.100 -0.088 0.000 0.755 77 G HN 0.464 nan 8.290 nan 0.000 0.565 78 G N -0.581 108.096 108.800 -0.205 0.000 2.535 78 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.218 78 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.218 78 G C 1.179 175.971 174.900 -0.180 0.000 1.122 78 G CA 0.338 45.296 45.100 -0.237 0.000 0.769 78 G HN 0.553 nan 8.290 nan 0.000 0.549 79 Y N 0.283 120.582 120.300 -0.001 0.000 2.468 79 Y HA 0.136 4.686 4.550 -0.000 0.000 0.268 79 Y C 1.761 177.479 175.900 -0.303 0.000 1.177 79 Y CA -0.428 57.560 58.100 -0.188 0.000 1.265 79 Y CB 0.474 38.795 38.460 -0.231 0.000 1.103 79 Y HN 0.077 nan 8.280 nan 0.000 0.522 80 D N 0.592 121.016 120.400 0.040 0.000 2.182 80 D HA -0.207 4.433 4.640 -0.000 0.000 0.201 80 D C 1.906 178.218 176.300 0.021 0.000 0.986 80 D CA 1.331 55.349 54.000 0.030 0.000 0.847 80 D CB -0.508 40.330 40.800 0.062 0.000 0.942 80 D HN 0.530 nan 8.370 nan 0.000 0.467 81 F N 0.138 120.115 119.950 0.045 0.000 2.225 81 F HA -0.139 4.388 4.527 -0.000 0.000 0.302 81 F C 1.798 177.630 175.800 0.053 0.000 1.068 81 F CA 0.784 58.807 58.000 0.038 0.000 1.327 81 F CB -0.867 38.148 39.000 0.026 0.000 1.043 81 F HN -0.079 nan 8.300 nan 0.000 0.506 82 L N 0.113 121.010 121.223 -0.542 0.000 2.418 82 L HA 0.045 4.385 4.340 -0.000 0.000 0.218 82 L C 2.276 179.070 176.870 -0.128 0.000 1.125 82 L CA 0.168 54.793 54.840 -0.358 0.000 0.835 82 L CB -0.383 41.379 42.059 -0.496 0.000 0.953 82 L HN 0.257 nan 8.230 nan 0.000 0.454 83 L N 0.335 121.507 121.223 -0.084 0.000 2.141 83 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 83 L C 2.124 178.986 176.870 -0.013 0.000 1.094 83 L CA 1.249 56.074 54.840 -0.025 0.000 0.763 83 L CB -0.679 41.383 42.059 0.003 0.000 0.908 83 L HN 0.434 nan 8.230 nan 0.000 0.437 84 D N -0.169 120.228 120.400 -0.005 0.000 2.309 84 D HA -0.119 4.521 4.640 -0.000 0.000 0.212 84 D C 1.648 177.935 176.300 -0.022 0.000 0.968 84 D CA 0.932 54.928 54.000 -0.006 0.000 0.882 84 D CB -0.440 40.366 40.800 0.010 0.000 0.918 84 D HN 0.277 nan 8.370 nan 0.000 0.503 85 G N 0.710 109.496 108.800 -0.023 0.000 2.175 85 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.265 85 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.265 85 G C 0.204 175.087 174.900 -0.028 0.000 0.979 85 G CA 0.518 45.597 45.100 -0.035 0.000 0.663 85 G HN 0.829 nan 8.290 nan 0.000 0.533 86 K N 0.646 121.041 120.400 -0.009 0.000 2.416 86 K HA 0.456 4.776 4.320 -0.000 0.000 0.283 86 K C -2.437 174.166 176.600 0.006 0.000 1.037 86 K CA -1.413 54.871 56.287 -0.006 0.000 0.995 86 K CB 0.714 33.217 32.500 0.005 0.000 0.938 86 K HN 0.041 nan 8.250 nan 0.000 0.475 87 P HA -0.029 nan 4.420 nan 0.000 0.262 87 P C -1.062 176.240 177.300 0.004 0.000 1.182 87 P CA 0.188 63.279 63.100 -0.013 0.000 0.761 87 P CB 0.476 32.147 31.700 -0.049 0.000 0.795 88 R N 2.490 123.002 120.500 0.020 0.000 2.476 88 R HA 0.200 4.540 4.340 -0.000 0.000 0.305 88 R C 0.227 176.515 176.300 -0.019 0.000 0.965 88 R CA -0.527 55.576 56.100 0.005 0.000 0.867 88 R CB 1.219 31.543 30.300 0.040 0.000 1.176 88 R HN 0.350 nan 8.270 nan 0.000 0.447 89 D N 0.426 120.796 120.400 -0.050 0.000 2.371 89 D HA -0.094 4.546 4.640 -0.000 0.000 0.221 89 D C 1.224 177.454 176.300 -0.117 0.000 0.986 89 D CA 1.089 55.062 54.000 -0.045 0.000 0.899 89 D CB 0.347 41.131 40.800 -0.027 0.000 0.902 89 D HN 0.471 nan 8.370 nan 0.000 0.530 90 S N -0.373 115.162 115.700 -0.275 0.000 2.631 90 S HA 0.131 4.601 4.470 -0.000 0.000 0.217 90 S C 0.675 175.149 174.600 -0.210 0.000 0.958 90 S CA -0.355 57.451 58.200 -0.656 0.000 0.920 90 S CB -0.165 62.375 63.200 -1.099 0.000 0.776 90 S HN 0.075 nan 8.310 nan 0.000 0.517 91 I N 2.052 122.612 120.570 -0.017 0.000 2.466 91 I HA 0.313 4.483 4.170 -0.000 0.000 0.289 91 I C -0.136 176.068 176.117 0.146 0.000 1.026 91 I CA -0.862 60.507 61.300 0.115 0.000 1.078 91 I CB 1.400 39.488 38.000 0.147 0.000 1.249 91 I HN 0.050 nan 8.210 nan 0.000 0.429 92 N N 7.707 126.525 118.700 0.197 0.000 2.294 92 N HA -0.008 4.732 4.740 -0.000 0.000 0.263 92 N C -1.818 173.836 175.510 0.240 0.000 1.281 92 N CA -0.668 52.513 53.050 0.219 0.000 0.846 92 N CB 1.310 39.944 38.487 0.246 0.000 1.061 92 N HN 0.317 nan 8.380 nan 0.000 0.478 93 P HA -0.070 nan 4.420 nan 0.000 0.223 93 P C 1.301 178.911 177.300 0.516 0.000 1.151 93 P CA 0.735 63.982 63.100 0.245 0.000 0.787 93 P CB 0.234 31.964 31.700 0.049 0.000 0.788 94 S N -0.748 115.331 115.700 0.630 0.000 2.377 94 S HA -0.080 4.390 4.470 -0.000 0.000 0.223 94 S C 1.766 176.681 174.600 0.526 0.000 1.030 94 S CA 0.513 59.128 58.200 0.691 0.000 0.970 94 S CB -1.022 62.565 63.200 0.644 0.000 0.830 94 S HN -0.045 nan 8.310 nan 0.000 0.473 95 L N 2.047 123.537 121.223 0.444 0.000 2.083 95 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 95 L C 2.511 179.448 176.870 0.112 0.000 1.083 95 L CA 2.163 57.158 54.840 0.259 0.000 0.752 95 L CB -0.977 41.246 42.059 0.273 0.000 0.899 95 L HN 0.460 nan 8.230 nan 0.000 0.433 96 Q N -0.791 119.110 119.800 0.168 0.000 2.119 96 Q HA -0.245 4.095 4.340 -0.000 0.000 0.201 96 Q C 2.439 178.486 176.000 0.078 0.000 0.972 96 Q CA 1.442 57.316 55.803 0.117 0.000 0.847 96 Q CB -0.139 28.679 28.738 0.133 0.000 0.903 96 Q HN 0.504 nan 8.270 nan 0.000 0.433 97 R N 0.105 120.678 120.500 0.122 0.000 2.080 97 R HA -0.254 4.086 4.340 -0.000 0.000 0.236 97 R C 2.270 178.490 176.300 -0.134 0.000 1.137 97 R CA 2.081 58.215 56.100 0.058 0.000 0.943 97 R CB -0.189 30.095 30.300 -0.027 0.000 0.846 97 R HN 0.215 nan 8.270 nan 0.000 0.431 98 Q N 0.117 119.777 119.800 -0.233 0.000 2.124 98 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 98 Q C 1.809 177.688 176.000 -0.201 0.000 0.977 98 Q CA 2.133 57.726 55.803 -0.350 0.000 0.850 98 Q CB -0.263 27.931 28.738 -0.908 0.000 0.901 98 Q HN 0.476 nan 8.270 nan 0.000 0.429 99 A N -0.150 122.587 122.820 -0.138 0.000 1.933 99 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 99 A C 1.925 179.430 177.584 -0.132 0.000 1.175 99 A CA 1.452 53.420 52.037 -0.115 0.000 0.628 99 A CB -0.677 18.291 19.000 -0.053 0.000 0.814 99 A HN 0.468 nan 8.150 nan 0.000 0.444 100 L N -0.485 120.686 121.223 -0.087 0.000 2.131 100 L HA 0.058 4.398 4.340 -0.000 0.000 0.206 100 L C 2.178 178.993 176.870 -0.092 0.000 1.087 100 L CA 1.387 56.201 54.840 -0.043 0.000 0.767 100 L CB -0.609 41.500 42.059 0.084 0.000 0.917 100 L HN 0.368 nan 8.230 nan 0.000 0.441 101 L N -0.179 120.889 121.223 -0.258 0.000 2.046 101 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 101 L C 2.119 178.877 176.870 -0.186 0.000 1.077 101 L CA 1.158 55.700 54.840 -0.496 0.000 0.747 101 L CB -0.769 40.712 42.059 -0.963 0.000 0.896 101 L HN 0.331 nan 8.230 nan 0.000 0.432 102 N N 0.037 118.730 118.700 -0.012 0.000 2.443 102 N HA -0.107 4.633 4.740 -0.000 0.000 0.184 102 N C 1.684 177.257 175.510 0.105 0.000 1.037 102 N CA 0.926 54.045 53.050 0.116 0.000 0.896 102 N CB -0.128 38.409 38.487 0.083 0.000 0.959 102 N HN 0.363 nan 8.380 nan 0.000 0.442 103 L N 0.249 121.495 121.223 0.039 0.000 2.610 103 L HA 0.013 4.353 4.340 -0.000 0.000 0.232 103 L C 0.218 177.264 176.870 0.294 0.000 1.149 103 L CA 0.405 55.325 54.840 0.133 0.000 0.872 103 L CB 0.032 42.118 42.059 0.044 0.000 0.992 103 L HN -0.166 nan 8.230 nan 0.000 0.447 104 K N 1.619 122.142 120.400 0.206 0.000 2.155 104 K HA 0.111 4.431 4.320 -0.000 0.000 0.240 104 K C -0.419 176.458 176.600 0.462 0.000 1.193 104 K CA -0.053 56.383 56.287 0.250 0.000 1.104 104 K CB -0.867 31.703 32.500 0.115 0.000 1.558 104 K HN 0.162 nan 8.250 nan 0.000 0.313 105 Y N -1.341 119.176 120.300 0.360 0.000 2.480 105 Y HA 0.715 5.265 4.550 -0.000 0.000 0.323 105 Y C 0.847 176.990 175.900 0.405 0.000 1.267 105 Y CA -0.493 57.882 58.100 0.457 0.000 1.336 105 Y CB 1.066 39.764 38.460 0.397 0.000 1.361 105 Y HN 0.515 nan 8.280 nan 0.000 0.518 106 G N 0.317 109.444 108.800 0.545 0.000 2.297 106 G HA2 0.082 4.042 3.960 -0.000 0.000 0.209 106 G HA3 0.082 4.042 3.960 -0.000 0.000 0.209 106 G C -2.361 172.521 174.900 -0.029 0.000 1.267 106 G CA -0.626 44.577 45.100 0.173 0.000 1.127 106 G HN 0.964 nan 8.290 nan 0.000 0.498 107 L N 0.326 121.371 121.223 -0.297 0.000 2.295 107 L HA 0.908 5.248 4.340 -0.000 0.000 0.285 107 L C -1.114 175.546 176.870 -0.350 0.000 1.035 107 L CA -0.875 53.831 54.840 -0.224 0.000 0.806 107 L CB 0.819 42.742 42.059 -0.228 0.000 1.214 107 L HN 0.495 nan 8.230 nan 0.000 0.426 108 F N 2.522 122.524 119.950 0.087 0.000 2.565 108 F HA 0.435 4.962 4.527 -0.000 0.000 0.313 108 F C -0.004 175.922 175.800 0.210 0.000 1.091 108 F CA -0.665 57.417 58.000 0.137 0.000 0.915 108 F CB 1.823 40.913 39.000 0.150 0.000 1.208 108 F HN 0.463 nan 8.300 nan 0.000 0.453 109 E N 1.452 121.883 120.200 0.386 0.000 2.259 109 E HA 0.362 4.712 4.350 -0.000 0.000 0.281 109 E C -0.284 176.421 176.600 0.175 0.000 1.027 109 E CA -0.201 56.321 56.400 0.204 0.000 0.838 109 E CB 1.347 31.134 29.700 0.145 0.000 1.066 109 E HN 0.567 nan 8.360 nan 0.000 0.401 110 V N 3.397 123.293 119.914 -0.030 0.000 2.672 110 V HA 0.315 4.435 4.120 -0.000 0.000 0.242 110 V C 0.497 176.588 176.094 -0.005 0.000 1.059 110 V CA 1.160 63.421 62.300 -0.065 0.000 1.081 110 V CB 0.209 31.667 31.823 -0.608 0.000 0.752 110 V HN 0.765 nan 8.190 nan 0.000 0.472 111 A N -0.973 121.738 122.820 -0.181 0.000 2.536 111 A HA 0.502 4.822 4.320 -0.000 0.000 0.293 111 A C -0.855 176.599 177.584 -0.215 0.000 1.119 111 A CA -0.507 51.455 52.037 -0.126 0.000 0.654 111 A CB 0.670 19.570 19.000 -0.167 0.000 1.291 111 A HN 0.124 nan 8.150 nan 0.000 0.439 112 E N 0.029 120.142 120.200 -0.145 0.000 2.415 112 E HA 0.361 4.711 4.350 -0.000 0.000 0.260 112 E C 1.154 177.657 176.600 -0.161 0.000 1.016 112 E CA 1.270 57.595 56.400 -0.124 0.000 0.924 112 E CB 0.047 29.709 29.700 -0.062 0.000 0.961 112 E HN 2.030 nan 8.360 nan 0.000 0.459 113 G N 4.393 113.086 108.800 -0.177 0.000 2.155 113 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 113 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 113 G C 0.120 174.918 174.900 -0.170 0.000 0.983 113 G CA 0.392 45.466 45.100 -0.043 0.000 0.676 113 G HN 0.551 nan 8.290 nan 0.000 0.528 114 I N -0.086 120.157 120.570 -0.544 0.000 2.439 114 I HA 0.544 4.714 4.170 -0.000 0.000 0.285 114 I C -0.483 175.234 176.117 -0.666 0.000 1.021 114 I CA -1.122 59.928 61.300 -0.417 0.000 1.091 114 I CB 1.405 39.181 38.000 -0.374 0.000 1.242 114 I HN 0.031 nan 8.210 nan 0.000 0.439 115 Y N 3.995 124.323 120.300 0.047 0.000 2.536 115 Y HA 0.602 5.152 4.550 -0.000 0.000 0.347 115 Y C -0.238 175.728 175.900 0.110 0.000 1.000 115 Y CA -0.806 57.326 58.100 0.053 0.000 1.051 115 Y CB 1.956 40.403 38.460 -0.022 0.000 1.259 115 Y HN 0.416 nan 8.280 nan 0.000 0.468 116 Q N 0.923 120.907 119.800 0.307 0.000 2.397 116 Q HA 0.619 4.959 4.340 -0.000 0.000 0.275 116 Q C -1.615 174.542 176.000 0.262 0.000 1.090 116 Q CA -1.215 54.758 55.803 0.284 0.000 0.809 116 Q CB 3.333 32.220 28.738 0.249 0.000 1.362 116 Q HN 0.409 nan 8.270 nan 0.000 0.431 117 V N 2.707 122.714 119.914 0.155 0.000 2.364 117 V HA 0.387 4.507 4.120 -0.000 0.000 0.272 117 V C -0.101 176.074 176.094 0.135 0.000 1.036 117 V CA -0.421 61.886 62.300 0.012 0.000 0.880 117 V CB 0.693 32.291 31.823 -0.375 0.000 0.991 117 V HN 0.578 nan 8.190 nan 0.000 0.460 118 R N 3.037 123.735 120.500 0.330 0.000 2.668 118 R HA 0.629 4.969 4.340 -0.000 0.000 0.279 118 R C 1.038 177.642 176.300 0.507 0.000 0.976 118 R CA -0.208 56.102 56.100 0.349 0.000 0.978 118 R CB 1.522 32.013 30.300 0.319 0.000 1.133 118 R HN 0.950 nan 8.270 nan 0.000 0.484 119 G N 1.013 110.065 108.800 0.420 0.000 2.153 119 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.252 119 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.252 119 G C 0.244 175.463 174.900 0.532 0.000 0.994 119 G CA 0.168 45.576 45.100 0.514 0.000 0.698 119 G HN 0.662 nan 8.290 nan 0.000 0.521 120 F N -0.041 119.877 119.950 -0.053 0.000 2.776 120 F HA 0.329 4.856 4.527 -0.000 0.000 0.300 120 F C 1.326 176.299 175.800 -1.378 0.000 1.116 120 F CA 0.477 58.233 58.000 -0.405 0.000 1.375 120 F CB 0.544 39.451 39.000 -0.156 0.000 1.109 120 F HN 0.219 nan 8.300 nan 0.000 0.585 121 D N -1.999 117.729 120.400 -1.119 0.000 2.879 121 D HA 0.040 4.680 4.640 -0.000 0.000 0.346 121 D C 0.270 176.252 176.300 -0.530 0.000 1.390 121 D CA -0.486 52.733 54.000 -1.303 0.000 0.838 121 D CB 0.371 40.802 40.800 -0.615 0.000 1.416 121 D HN -0.094 nan 8.370 nan 0.000 0.493 122 L N 1.333 122.436 121.223 -0.200 0.000 2.046 122 L HA 0.254 4.594 4.340 -0.000 0.000 0.208 122 L C 0.919 177.889 176.870 0.166 0.000 1.077 122 L CA 2.248 57.169 54.840 0.136 0.000 0.747 122 L CB -0.569 41.629 42.059 0.232 0.000 0.896 122 L HN 0.459 nan 8.230 nan 0.000 0.432 123 A N -0.921 121.827 122.820 -0.120 0.000 2.256 123 A HA 0.482 4.802 4.320 -0.000 0.000 0.318 123 A C -0.266 177.175 177.584 -0.238 0.000 1.103 123 A CA -0.758 50.991 52.037 -0.480 0.000 0.860 123 A CB 0.171 18.717 19.000 -0.758 0.000 1.182 123 A HN 0.352 nan 8.150 nan 0.000 0.501 124 N N -0.276 118.300 118.700 -0.207 0.000 2.495 124 N HA 0.457 5.197 4.740 -0.000 0.000 0.280 124 N C -0.920 174.563 175.510 -0.045 0.000 1.168 124 N CA -0.147 52.873 53.050 -0.049 0.000 0.978 124 N CB 1.605 40.101 38.487 0.016 0.000 1.191 124 N HN 0.647 nan 8.380 nan 0.000 0.497 125 I N -0.210 120.369 120.570 0.014 0.000 2.509 125 I HA 0.337 4.507 4.170 -0.000 0.000 0.293 125 I C -0.813 175.346 176.117 0.070 0.000 1.020 125 I CA -0.353 60.945 61.300 -0.003 0.000 1.088 125 I CB 1.442 39.440 38.000 -0.005 0.000 1.267 125 I HN 0.274 nan 8.210 nan 0.000 0.430 126 T N 7.116 121.647 114.554 -0.040 0.000 2.807 126 T HA 0.525 4.875 4.350 -0.000 0.000 0.279 126 T C -0.945 173.669 174.700 -0.143 0.000 0.993 126 T CA -0.124 62.019 62.100 0.072 0.000 0.970 126 T CB 0.734 69.694 68.868 0.154 0.000 0.950 126 T HN 0.237 nan 8.240 nan 0.000 0.441 127 F N 2.780 122.696 119.950 -0.056 0.000 2.427 127 F HA 0.576 5.103 4.527 -0.000 0.000 0.348 127 F C 0.039 175.907 175.800 0.113 0.000 1.125 127 F CA -1.074 56.811 58.000 -0.192 0.000 0.989 127 F CB 0.942 39.456 39.000 -0.810 0.000 1.165 127 F HN 0.349 nan 8.300 nan 0.000 0.442 128 I N 3.655 124.475 120.570 0.416 0.000 2.362 128 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 128 I C 0.148 176.654 176.117 0.649 0.000 0.994 128 I CA -0.864 60.694 61.300 0.429 0.000 1.158 128 I CB 1.610 39.801 38.000 0.318 0.000 1.315 128 I HN 0.479 nan 8.210 nan 0.000 0.451 129 R N 5.248 126.118 120.500 0.617 0.000 2.399 129 R HA 0.305 4.645 4.340 -0.000 0.000 0.324 129 R C 0.140 176.557 176.300 0.194 0.000 1.030 129 R CA -0.031 56.315 56.100 0.410 0.000 0.984 129 R CB 0.335 30.836 30.300 0.335 0.000 0.961 129 R HN 0.857 nan 8.270 nan 0.000 0.433 130 G N 2.274 111.144 108.800 0.118 0.000 2.522 130 G HA2 0.034 3.994 3.960 -0.000 0.000 0.304 130 G HA3 0.034 3.994 3.960 -0.000 0.000 0.304 130 G C 0.059 174.953 174.900 -0.011 0.000 1.210 130 G CA -0.624 44.519 45.100 0.071 0.000 0.960 130 G HN 0.668 nan 8.290 nan 0.000 0.497 131 D N -0.391 120.006 120.400 -0.005 0.000 2.149 131 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 131 D C 2.457 178.722 176.300 -0.058 0.000 0.990 131 D CA 2.042 56.026 54.000 -0.027 0.000 0.839 131 D CB 0.157 40.949 40.800 -0.013 0.000 0.948 131 D HN 0.392 nan 8.370 nan 0.000 0.460 132 S N -1.725 113.937 115.700 -0.063 0.000 2.666 132 S HA 0.506 4.976 4.470 -0.000 0.000 0.239 132 S C 0.722 175.252 174.600 -0.117 0.000 1.031 132 S CA 0.164 58.317 58.200 -0.078 0.000 1.015 132 S CB 1.655 64.827 63.200 -0.047 0.000 0.981 132 S HN 0.301 nan 8.310 nan 0.000 0.547 133 G N -0.047 108.659 108.800 -0.156 0.000 2.341 133 G HA2 0.418 4.378 3.960 -0.000 0.000 0.299 133 G HA3 0.418 4.378 3.960 -0.000 0.000 0.299 133 G C -2.095 172.693 174.900 -0.186 0.000 1.274 133 G CA -1.137 43.830 45.100 -0.221 0.000 0.853 133 G HN 0.275 nan 8.290 nan 0.000 0.493 134 W N -0.320 121.035 121.300 0.091 0.000 2.316 134 W HA 0.636 5.296 4.660 -0.000 0.000 0.321 134 W C -0.123 176.409 176.519 0.022 0.000 1.203 134 W CA -0.653 56.757 57.345 0.108 0.000 1.214 134 W CB 1.344 30.903 29.460 0.164 0.000 1.169 134 W HN 0.191 nan 8.180 nan 0.000 0.561 135 I N 3.184 123.963 120.570 0.349 0.000 2.336 135 I HA 0.219 4.389 4.170 -0.000 0.000 0.292 135 I C -0.214 175.945 176.117 0.070 0.000 0.991 135 I CA -0.560 60.829 61.300 0.148 0.000 1.227 135 I CB 0.861 38.955 38.000 0.157 0.000 1.366 135 I HN 0.010 nan 8.210 nan 0.000 0.466 136 V N 7.161 126.998 119.914 -0.128 0.000 2.417 136 V HA 0.385 4.505 4.120 -0.000 0.000 0.291 136 V C -0.147 175.815 176.094 -0.220 0.000 1.024 136 V CA -0.790 61.292 62.300 -0.363 0.000 0.861 136 V CB 1.814 33.266 31.823 -0.618 0.000 0.985 136 V HN 0.388 nan 8.190 nan 0.000 0.436 137 V N 5.030 124.849 119.914 -0.158 0.000 2.364 137 V HA 0.467 4.587 4.120 -0.000 0.000 0.272 137 V C -0.162 175.901 176.094 -0.051 0.000 1.036 137 V CA -0.307 61.965 62.300 -0.048 0.000 0.880 137 V CB 0.543 32.394 31.823 0.047 0.000 0.991 137 V HN 1.049 nan 8.190 nan 0.000 0.460 138 D N 3.123 123.535 120.400 0.021 0.000 10.579 138 D HA -0.168 4.472 4.640 -0.000 0.000 0.361 138 D C 0.616 176.913 176.300 -0.005 0.000 3.052 138 D CA 1.353 55.414 54.000 0.102 0.000 2.480 138 D CB -0.306 40.603 40.800 0.181 0.000 1.162 138 D HN 0.969 nan 8.370 nan 0.000 0.997 139 T N -2.724 111.835 114.554 0.008 0.000 3.407 139 T HA 0.487 4.837 4.350 -0.000 0.000 0.308 139 T C 0.942 175.609 174.700 -0.055 0.000 0.919 139 T CA 0.613 62.704 62.100 -0.015 0.000 0.960 139 T CB -0.228 68.688 68.868 0.079 0.000 1.193 139 T HN 0.694 nan 8.240 nan 0.000 0.568 140 L N -0.370 120.772 121.223 -0.134 0.000 7.386 140 L HA -0.247 4.093 4.340 -0.000 0.000 0.177 140 L C 1.441 178.182 176.870 -0.215 0.000 1.147 140 L CA 0.794 55.513 54.840 -0.202 0.000 1.322 140 L CB -1.619 40.352 42.059 -0.146 0.000 2.710 140 L HN 0.316 nan 8.230 nan 0.000 1.122 141 T N -2.619 111.813 114.554 -0.204 0.000 3.044 141 T HA 0.067 4.417 4.350 -0.000 0.000 0.255 141 T C 0.466 175.094 174.700 -0.121 0.000 1.073 141 T CA 1.535 63.517 62.100 -0.196 0.000 1.125 141 T CB 0.136 68.905 68.868 -0.166 0.000 0.908 141 T HN 0.623 nan 8.240 nan 0.000 0.480 142 T N 0.361 114.872 114.554 -0.072 0.000 2.932 142 T HA 0.355 4.705 4.350 -0.000 0.000 0.318 142 T C -2.480 172.225 174.700 0.009 0.000 1.265 142 T CA -1.556 60.531 62.100 -0.021 0.000 1.036 142 T CB 1.872 70.734 68.868 -0.010 0.000 1.209 142 T HN -0.311 nan 8.240 nan 0.000 0.484 143 P HA -0.009 nan 4.420 nan 0.000 0.218 143 P C 1.195 178.536 177.300 0.069 0.000 1.148 143 P CA 1.225 64.359 63.100 0.056 0.000 0.822 143 P CB 0.096 31.833 31.700 0.061 0.000 0.784 144 A N -0.502 122.355 122.820 0.061 0.000 1.930 144 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 144 A C 2.242 179.883 177.584 0.096 0.000 1.175 144 A CA 2.385 54.468 52.037 0.077 0.000 0.627 144 A CB -1.858 17.183 19.000 0.068 0.000 0.815 144 A HN 0.338 nan 8.150 nan 0.000 0.443 145 T N -2.258 112.336 114.554 0.067 0.000 2.812 145 T HA 0.139 4.489 4.350 -0.000 0.000 0.264 145 T C 2.021 176.805 174.700 0.139 0.000 1.042 145 T CA 1.482 63.628 62.100 0.076 0.000 1.140 145 T CB -0.663 68.159 68.868 -0.078 0.000 0.870 145 T HN 0.530 nan 8.240 nan 0.000 0.445 146 A N 2.230 125.103 122.820 0.087 0.000 1.873 146 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 146 A C 2.599 180.299 177.584 0.193 0.000 1.193 146 A CA 1.806 53.910 52.037 0.112 0.000 0.629 146 A CB -0.848 18.196 19.000 0.073 0.000 0.826 146 A HN 0.519 nan 8.150 nan 0.000 0.447 147 R N -0.844 119.766 120.500 0.183 0.000 2.097 147 R HA -0.177 4.163 4.340 -0.000 0.000 0.236 147 R C 2.553 178.978 176.300 0.208 0.000 1.135 147 R CA 1.529 57.754 56.100 0.208 0.000 0.934 147 R CB -0.586 29.802 30.300 0.147 0.000 0.846 147 R HN 0.532 nan 8.270 nan 0.000 0.431 148 A N 0.852 123.803 122.820 0.218 0.000 1.917 148 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 148 A C 2.332 180.115 177.584 0.332 0.000 1.182 148 A CA 2.038 54.252 52.037 0.295 0.000 0.633 148 A CB -0.760 18.451 19.000 0.351 0.000 0.819 148 A HN 0.500 nan 8.150 nan 0.000 0.448 149 A N -1.715 121.244 122.820 0.231 0.000 1.898 149 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 149 A C 2.173 179.701 177.584 -0.093 0.000 1.181 149 A CA 1.664 53.599 52.037 -0.171 0.000 0.620 149 A CB -0.779 18.141 19.000 -0.133 0.000 0.819 149 A HN 0.695 nan 8.150 nan 0.000 0.442 150 Y N 1.156 121.438 120.300 -0.030 0.000 2.224 150 Y HA -0.133 4.417 4.550 -0.000 0.000 0.289 150 Y C 2.068 177.898 175.900 -0.117 0.000 1.146 150 Y CA 1.722 59.778 58.100 -0.073 0.000 1.182 150 Y CB -0.608 37.950 38.460 0.163 0.000 0.983 150 Y HN 0.530 nan 8.280 nan 0.000 0.524 151 E N -0.533 119.624 120.200 -0.071 0.000 2.110 151 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 151 E C 2.082 178.616 176.600 -0.110 0.000 0.988 151 E CA 1.114 57.431 56.400 -0.138 0.000 0.804 151 E CB -0.359 29.319 29.700 -0.037 0.000 0.745 151 E HN 0.345 nan 8.360 nan 0.000 0.458 152 L N 0.813 121.987 121.223 -0.081 0.000 2.012 152 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 152 L C 2.229 178.971 176.870 -0.213 0.000 1.073 152 L CA 1.479 56.256 54.840 -0.105 0.000 0.748 152 L CB -0.568 41.420 42.059 -0.119 0.000 0.891 152 L HN -0.044 nan 8.230 nan 0.000 0.431 153 V N -0.656 119.043 119.914 -0.358 0.000 2.282 153 V HA -0.325 3.795 4.120 -0.000 0.000 0.249 153 V C 2.596 178.563 176.094 -0.211 0.000 1.057 153 V CA 2.061 64.083 62.300 -0.465 0.000 1.032 153 V CB -0.826 30.401 31.823 -0.994 0.000 0.645 153 V HN 0.547 nan 8.190 nan 0.000 0.447 154 S N -0.826 114.782 115.700 -0.152 0.000 2.382 154 S HA -0.159 4.311 4.470 -0.000 0.000 0.228 154 S C 2.056 176.612 174.600 -0.074 0.000 1.027 154 S CA 1.265 59.419 58.200 -0.076 0.000 0.991 154 S CB -0.296 62.788 63.200 -0.193 0.000 0.823 154 S HN 0.527 nan 8.310 nan 0.000 0.469 155 R N 0.837 121.281 120.500 -0.094 0.000 2.092 155 R HA 0.010 4.350 4.340 -0.000 0.000 0.231 155 R C 1.999 178.259 176.300 -0.066 0.000 1.119 155 R CA 1.017 57.076 56.100 -0.067 0.000 0.970 155 R CB -0.122 30.146 30.300 -0.054 0.000 0.864 155 R HN 0.372 nan 8.270 nan 0.000 0.440 156 E N 0.146 120.290 120.200 -0.093 0.000 2.216 156 E HA 0.009 4.359 4.350 -0.000 0.000 0.192 156 E C 1.773 178.318 176.600 -0.092 0.000 0.973 156 E CA 0.751 57.092 56.400 -0.098 0.000 0.851 156 E CB 0.353 29.971 29.700 -0.135 0.000 0.804 156 E HN 0.310 nan 8.360 nan 0.000 0.477 157 L N -0.606 120.564 121.223 -0.089 0.000 2.731 157 L HA 0.327 4.667 4.340 -0.000 0.000 0.240 157 L C 0.586 177.464 176.870 0.014 0.000 1.120 157 L CA 0.115 54.924 54.840 -0.051 0.000 0.913 157 L CB 0.715 42.724 42.059 -0.083 0.000 1.213 157 L HN 0.043 nan 8.230 nan 0.000 0.515 158 G N 1.564 110.370 108.800 0.010 0.000 2.788 158 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.686 158 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.686 158 G C -0.610 174.326 174.900 0.061 0.000 1.147 158 G CA -0.736 44.371 45.100 0.011 0.000 0.755 158 G HN 0.165 nan 8.290 nan 0.000 0.634 159 E N 1.272 121.489 120.200 0.028 0.000 2.360 159 E HA 0.490 4.840 4.350 -0.000 0.000 0.269 159 E C 0.364 176.997 176.600 0.056 0.000 1.022 159 E CA -0.108 56.331 56.400 0.065 0.000 0.887 159 E CB 0.410 30.108 29.700 -0.005 0.000 0.990 159 E HN 0.555 nan 8.360 nan 0.000 0.426 160 R N 4.380 124.964 120.500 0.139 0.000 2.651 160 R HA 0.370 4.710 4.340 -0.000 0.000 0.278 160 R C -2.541 173.852 176.300 0.155 0.000 1.010 160 R CA -2.096 53.966 56.100 -0.063 0.000 0.896 160 R CB 1.722 31.665 30.300 -0.596 0.000 1.211 160 R HN 0.501 nan 8.270 nan 0.000 0.456 161 P HA 0.124 nan 4.420 nan 0.000 0.269 161 P C -0.286 177.117 177.300 0.172 0.000 1.209 161 P CA -0.026 63.174 63.100 0.168 0.000 0.776 161 P CB 0.703 32.448 31.700 0.075 0.000 0.876 162 I N 3.463 124.134 120.570 0.169 0.000 2.352 162 I HA 0.169 4.339 4.170 -0.000 0.000 0.290 162 I C 1.795 177.932 176.117 0.034 0.000 1.036 162 I CA -0.374 60.985 61.300 0.099 0.000 1.336 162 I CB 0.907 38.869 38.000 -0.063 0.000 1.407 162 I HN 0.228 nan 8.210 nan 0.000 0.497 163 R N 3.163 123.676 120.500 0.023 0.000 2.206 163 R HA 0.211 4.551 4.340 -0.000 0.000 0.198 163 R C -0.089 176.173 176.300 -0.063 0.000 0.986 163 R CA 0.520 56.609 56.100 -0.019 0.000 1.029 163 R CB 0.321 30.611 30.300 -0.017 0.000 0.966 163 R HN 0.515 nan 8.270 nan 0.000 0.487 164 T N 1.142 115.648 114.554 -0.080 0.000 2.971 164 T HA 0.377 4.727 4.350 -0.000 0.000 0.304 164 T C -0.892 173.698 174.700 -0.184 0.000 1.038 164 T CA -0.432 61.578 62.100 -0.150 0.000 1.007 164 T CB 2.996 71.757 68.868 -0.178 0.000 1.055 164 T HN -0.265 nan 8.240 nan 0.000 0.451 165 V N 4.369 124.130 119.914 -0.255 0.000 2.459 165 V HA 0.572 4.692 4.120 -0.000 0.000 0.295 165 V C -0.348 175.492 176.094 -0.424 0.000 1.029 165 V CA -0.774 61.336 62.300 -0.317 0.000 0.874 165 V CB 1.566 33.186 31.823 -0.338 0.000 0.985 165 V HN 0.784 nan 8.190 nan 0.000 0.438 166 I N 4.754 125.123 120.570 -0.334 0.000 2.406 166 I HA 0.403 4.573 4.170 -0.000 0.000 0.290 166 I C -1.129 174.859 176.117 -0.216 0.000 0.999 166 I CA -0.661 60.454 61.300 -0.309 0.000 1.124 166 I CB 1.530 39.473 38.000 -0.095 0.000 1.289 166 I HN 0.477 nan 8.210 nan 0.000 0.441 167 Y N 4.512 124.695 120.300 -0.195 0.000 2.404 167 Y HA 0.104 4.654 4.550 -0.000 0.000 0.344 167 Y C 1.673 177.549 175.900 -0.040 0.000 0.995 167 Y CA -1.021 57.011 58.100 -0.115 0.000 1.201 167 Y CB 1.114 39.423 38.460 -0.252 0.000 1.151 167 Y HN 0.669 nan 8.280 nan 0.000 0.517 168 S N 2.034 117.845 115.700 0.184 0.000 2.402 168 S HA -0.078 4.392 4.470 -0.000 0.000 0.229 168 S C 0.388 175.109 174.600 0.201 0.000 1.021 168 S CA 1.504 59.793 58.200 0.148 0.000 0.974 168 S CB -0.498 62.772 63.200 0.117 0.000 0.800 168 S HN 0.861 nan 8.310 nan 0.000 0.484 169 H N -2.036 117.051 119.070 0.028 0.000 2.917 169 H HA 0.555 5.111 4.556 -0.000 0.000 0.299 169 H C -1.218 174.190 175.328 0.133 0.000 1.418 169 H CA -0.463 55.579 56.048 -0.009 0.000 1.138 169 H CB 0.879 30.477 29.762 -0.272 0.000 1.830 169 H HN 0.109 nan 8.280 nan 0.000 0.514 170 A N 1.710 124.487 122.820 -0.073 0.000 3.202 170 A HA 0.257 4.577 4.320 -0.000 0.000 0.258 170 A C -0.597 176.999 177.584 0.020 0.000 1.572 170 A CA -0.206 51.712 52.037 -0.197 0.000 1.241 170 A CB -1.445 17.221 19.000 -0.558 0.000 1.127 170 A HN 0.595 nan 8.150 nan 0.000 0.648 171 H N -0.903 118.129 119.070 -0.062 0.000 2.572 171 H HA 0.461 5.017 4.556 -0.000 0.000 0.359 171 H C 1.269 176.249 175.328 -0.580 0.000 1.134 171 H CA -0.500 55.488 56.048 -0.099 0.000 1.187 171 H CB 2.089 31.889 29.762 0.062 0.000 1.597 171 H HN 0.366 nan 8.280 nan 0.000 0.524 172 A N 1.820 124.226 122.820 -0.690 0.000 1.978 172 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 172 A C 1.701 178.837 177.584 -0.747 0.000 1.170 172 A CA 1.808 53.088 52.037 -1.261 0.000 0.636 172 A CB -0.358 18.291 19.000 -0.585 0.000 0.810 172 A HN 0.893 nan 8.150 nan 0.000 0.448 173 D N -1.656 118.515 120.400 -0.381 0.000 2.378 173 D HA -0.124 4.516 4.640 -0.000 0.000 0.227 173 D C 1.033 176.885 176.300 -0.747 0.000 1.012 173 D CA 0.838 54.594 54.000 -0.406 0.000 0.905 173 D CB -0.515 40.165 40.800 -0.201 0.000 0.895 173 D HN 0.695 nan 8.370 nan 0.000 0.532 174 H N -0.680 118.205 119.070 -0.309 0.000 2.657 174 H HA 0.086 4.642 4.556 -0.000 0.000 0.262 174 H C 1.298 176.557 175.328 -0.114 0.000 0.965 174 H CA 0.450 56.381 56.048 -0.195 0.000 1.184 174 H CB 0.026 29.647 29.762 -0.234 0.000 1.443 174 H HN 0.245 nan 8.280 nan 0.000 0.462 175 F N 0.080 119.973 119.950 -0.095 0.000 2.731 175 F HA 0.454 4.981 4.527 -0.000 0.000 0.298 175 F C 2.041 177.778 175.800 -0.105 0.000 1.106 175 F CA 0.258 58.096 58.000 -0.270 0.000 1.329 175 F CB -0.665 37.966 39.000 -0.615 0.000 1.100 175 F HN -0.073 nan 8.300 nan 0.000 0.592 176 G N 0.789 109.437 108.800 -0.253 0.000 2.448 176 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.219 176 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.219 176 G C 1.635 176.547 174.900 0.020 0.000 1.127 176 G CA 0.602 45.643 45.100 -0.098 0.000 0.766 176 G HN 0.602 nan 8.290 nan 0.000 0.552 177 G N -0.411 108.393 108.800 0.007 0.000 3.337 177 G HA2 0.206 4.166 3.960 -0.000 0.000 0.246 177 G HA3 0.206 4.166 3.960 -0.000 0.000 0.246 177 G C 1.302 176.246 174.900 0.074 0.000 1.131 177 G CA 0.548 45.666 45.100 0.029 0.000 0.773 177 G HN 0.237 nan 8.290 nan 0.000 0.544 178 V N 0.971 120.962 119.914 0.128 0.000 2.324 178 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 178 V C 2.726 178.878 176.094 0.097 0.000 1.060 178 V CA 2.012 64.398 62.300 0.144 0.000 1.042 178 V CB -0.265 31.717 31.823 0.266 0.000 0.650 178 V HN 0.449 nan 8.190 nan 0.000 0.450 179 R N -0.174 120.383 120.500 0.094 0.000 2.328 179 R HA -0.033 4.307 4.340 -0.000 0.000 0.207 179 R C 2.067 178.414 176.300 0.079 0.000 1.056 179 R CA 0.830 56.976 56.100 0.076 0.000 1.016 179 R CB -0.562 29.779 30.300 0.068 0.000 0.872 179 R HN 0.633 nan 8.270 nan 0.000 0.471 180 G N -0.142 108.709 108.800 0.085 0.000 2.712 180 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.212 180 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.212 180 G C 1.193 176.176 174.900 0.137 0.000 1.142 180 G CA 0.097 45.260 45.100 0.106 0.000 0.789 180 G HN 0.150 nan 8.290 nan 0.000 0.535 181 L N -0.504 120.777 121.223 0.097 0.000 2.445 181 L HA 0.300 4.640 4.340 -0.000 0.000 0.207 181 L C 0.619 177.528 176.870 0.065 0.000 1.053 181 L CA 0.154 55.037 54.840 0.072 0.000 0.841 181 L CB 0.398 42.431 42.059 -0.043 0.000 1.074 181 L HN 0.122 nan 8.230 nan 0.000 0.479 182 V N -3.379 116.563 119.914 0.047 0.000 3.130 182 V HA 0.684 4.804 4.120 -0.000 0.000 0.310 182 V C -1.344 174.775 176.094 0.042 0.000 1.158 182 V CA -0.733 61.588 62.300 0.036 0.000 1.029 182 V CB 2.634 34.453 31.823 -0.007 0.000 1.057 182 V HN -0.079 nan 8.190 nan 0.000 0.436 183 E N 1.645 121.867 120.200 0.036 0.000 2.299 183 E HA 0.660 5.010 4.350 -0.000 0.000 0.265 183 E C -2.316 174.296 176.600 0.020 0.000 0.911 183 E CA -2.393 54.027 56.400 0.033 0.000 0.789 183 E CB 2.472 32.195 29.700 0.039 0.000 1.246 183 E HN 0.489 nan 8.360 nan 0.000 0.427 184 P HA -0.196 nan 4.420 nan 0.000 0.216 184 P C 0.758 178.061 177.300 0.005 0.000 1.150 184 P CA 1.283 64.389 63.100 0.010 0.000 0.843 184 P CB 0.360 32.068 31.700 0.013 0.000 0.787 185 Q N -0.463 119.343 119.800 0.010 0.000 2.170 185 Q HA -0.176 4.164 4.340 -0.000 0.000 0.203 185 Q C 2.155 178.156 176.000 0.003 0.000 0.976 185 Q CA 1.376 57.183 55.803 0.007 0.000 0.858 185 Q CB -0.581 28.163 28.738 0.011 0.000 0.907 185 Q HN 0.519 nan 8.270 nan 0.000 0.433 186 Q N -0.199 119.604 119.800 0.005 0.000 2.167 186 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 186 Q C 2.214 178.205 176.000 -0.016 0.000 0.970 186 Q CA 1.112 56.915 55.803 -0.001 0.000 0.855 186 Q CB 0.130 28.871 28.738 0.005 0.000 0.911 186 Q HN 0.157 nan 8.270 nan 0.000 0.438 187 V N 0.636 120.538 119.914 -0.020 0.000 2.323 187 V HA -0.211 3.909 4.120 -0.000 0.000 0.244 187 V C 2.247 178.323 176.094 -0.029 0.000 1.041 187 V CA 1.700 63.979 62.300 -0.035 0.000 1.025 187 V CB -0.954 30.847 31.823 -0.038 0.000 0.656 187 V HN 0.371 nan 8.190 nan 0.000 0.451 188 A N 1.008 123.817 122.820 -0.018 0.000 1.940 188 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 188 A C 2.455 180.030 177.584 -0.014 0.000 1.176 188 A CA 2.345 54.374 52.037 -0.014 0.000 0.631 188 A CB -0.728 18.267 19.000 -0.007 0.000 0.814 188 A HN 0.699 nan 8.150 nan 0.000 0.446 189 S N -2.029 113.663 115.700 -0.013 0.000 2.522 189 S HA 0.324 4.794 4.470 -0.000 0.000 0.227 189 S C 1.551 176.141 174.600 -0.017 0.000 0.986 189 S CA 1.146 59.339 58.200 -0.011 0.000 0.929 189 S CB -0.403 62.793 63.200 -0.007 0.000 0.769 189 S HN 1.956 nan 8.310 nan 0.000 0.529 190 G N 0.766 109.551 108.800 -0.025 0.000 2.179 190 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 190 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 190 G C 0.976 175.857 174.900 -0.032 0.000 0.977 190 G CA 0.227 45.307 45.100 -0.033 0.000 0.641 190 G HN 1.179 nan 8.290 nan 0.000 0.533 191 A N -1.109 121.697 122.820 -0.024 0.000 1.972 191 A HA 0.451 4.771 4.320 -0.000 0.000 0.219 191 A C 1.209 178.775 177.584 -0.030 0.000 1.169 191 A CA 1.968 53.993 52.037 -0.020 0.000 0.635 191 A CB 0.181 19.177 19.000 -0.008 0.000 0.810 191 A HN 1.185 nan 8.150 nan 0.000 0.446 192 V N 0.702 120.591 119.914 -0.043 0.000 2.577 192 V HA 0.271 4.391 4.120 -0.000 0.000 0.303 192 V C -0.596 175.442 176.094 -0.093 0.000 1.042 192 V CA -0.776 61.486 62.300 -0.064 0.000 0.872 192 V CB 1.665 33.453 31.823 -0.059 0.000 0.998 192 V HN 0.480 nan 8.190 nan 0.000 0.423 193 Q N 3.610 123.337 119.800 -0.121 0.000 2.222 193 Q HA 0.641 4.981 4.340 -0.000 0.000 0.252 193 Q C -1.119 174.745 176.000 -0.228 0.000 0.926 193 Q CA -0.552 55.156 55.803 -0.158 0.000 0.899 193 Q CB 2.695 31.340 28.738 -0.156 0.000 1.250 193 Q HN 0.623 nan 8.270 nan 0.000 0.441 194 I N 3.460 123.867 120.570 -0.271 0.000 2.382 194 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 194 I C -0.643 175.207 176.117 -0.445 0.000 1.002 194 I CA -0.706 60.340 61.300 -0.423 0.000 1.135 194 I CB 1.256 38.981 38.000 -0.458 0.000 1.288 194 I HN 0.311 nan 8.210 nan 0.000 0.448 195 I N 5.287 125.554 120.570 -0.506 0.000 2.412 195 I HA 0.772 4.942 4.170 -0.000 0.000 0.296 195 I C 0.270 176.077 176.117 -0.518 0.000 0.987 195 I CA -0.538 60.476 61.300 -0.476 0.000 1.180 195 I CB 1.331 39.027 38.000 -0.507 0.000 1.340 195 I HN 0.626 nan 8.210 nan 0.000 0.455 196 A N 8.015 130.581 122.820 -0.424 0.000 2.594 196 A HA 0.911 5.231 4.320 -0.000 0.000 0.291 196 A C -2.894 174.575 177.584 -0.191 0.000 1.105 196 A CA -1.337 50.511 52.037 -0.315 0.000 0.694 196 A CB 2.055 20.778 19.000 -0.462 0.000 1.291 196 A HN 0.469 nan 8.150 nan 0.000 0.410 197 P HA 0.375 nan 4.420 nan 0.000 0.271 197 P C 0.095 177.404 177.300 0.015 0.000 1.218 197 P CA 0.269 63.346 63.100 -0.038 0.000 0.780 197 P CB 0.767 32.468 31.700 0.002 0.000 0.901 198 A N 2.166 124.977 122.820 -0.015 0.000 2.531 198 A HA 0.385 4.705 4.320 -0.000 0.000 0.236 198 A C 1.527 179.128 177.584 0.027 0.000 1.062 198 A CA 0.916 52.957 52.037 0.007 0.000 0.760 198 A CB -1.478 17.517 19.000 -0.007 0.000 0.995 198 A HN 0.901 nan 8.150 nan 0.000 0.501 199 G N 0.580 109.403 108.800 0.038 0.000 2.176 199 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.253 199 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.253 199 G C 0.766 175.675 174.900 0.015 0.000 0.979 199 G CA 0.903 46.013 45.100 0.017 0.000 0.641 199 G HN 1.407 nan 8.290 nan 0.000 0.530 200 F N 1.137 121.056 119.950 -0.052 0.000 2.043 200 F HA -0.119 4.408 4.527 -0.000 0.000 0.297 200 F C 2.683 178.429 175.800 -0.090 0.000 1.121 200 F CA 2.890 60.854 58.000 -0.059 0.000 1.199 200 F CB -0.137 38.846 39.000 -0.027 0.000 0.968 200 F HN 0.193 nan 8.300 nan 0.000 0.478 201 M N 0.205 119.810 119.600 0.009 0.000 2.132 201 M HA -0.162 4.318 4.480 -0.000 0.000 0.263 201 M C 1.998 178.184 176.300 -0.189 0.000 1.065 201 M CA 1.560 56.800 55.300 -0.101 0.000 1.122 201 M CB -1.278 31.358 32.600 0.059 0.000 1.365 201 M HN 0.167 nan 8.290 nan 0.000 0.411 202 E N 0.736 120.868 120.200 -0.112 0.000 2.038 202 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 202 E C 2.080 178.599 176.600 -0.135 0.000 1.000 202 E CA 1.967 58.312 56.400 -0.092 0.000 0.803 202 E CB -0.470 29.203 29.700 -0.045 0.000 0.750 202 E HN 0.535 nan 8.360 nan 0.000 0.448 203 A N 0.726 123.433 122.820 -0.188 0.000 1.930 203 A HA 0.122 4.442 4.320 -0.000 0.000 0.215 203 A C 2.343 179.790 177.584 -0.229 0.000 1.176 203 A CA 1.304 53.237 52.037 -0.172 0.000 0.632 203 A CB -0.720 18.185 19.000 -0.159 0.000 0.819 203 A HN 0.262 nan 8.150 nan 0.000 0.445 204 A N -0.391 122.134 122.820 -0.491 0.000 1.927 204 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 204 A C 1.977 179.444 177.584 -0.196 0.000 1.185 204 A CA 2.130 53.853 52.037 -0.524 0.000 0.639 204 A CB -0.398 17.890 19.000 -1.186 0.000 0.820 204 A HN 0.449 nan 8.150 nan 0.000 0.451 205 I N -1.854 118.598 120.570 -0.196 0.000 3.172 205 I HA 0.052 4.222 4.170 -0.000 0.000 0.278 205 I C 2.096 178.177 176.117 -0.059 0.000 1.174 205 I CA 0.762 62.000 61.300 -0.103 0.000 1.445 205 I CB -0.152 37.774 38.000 -0.122 0.000 1.175 205 I HN 0.219 nan 8.210 nan 0.000 0.447 206 K N 1.221 121.586 120.400 -0.058 0.000 2.034 206 K HA -0.274 4.046 4.320 -0.000 0.000 0.214 206 K C 1.710 178.307 176.600 -0.005 0.000 1.051 206 K CA 2.311 58.582 56.287 -0.027 0.000 0.931 206 K CB -0.148 32.340 32.500 -0.019 0.000 0.715 206 K HN 0.530 nan 8.250 nan 0.000 0.446 207 E N -0.682 119.525 120.200 0.012 0.000 2.482 207 E HA -0.086 4.264 4.350 -0.000 0.000 0.196 207 E C 0.565 177.180 176.600 0.026 0.000 1.047 207 E CA 0.556 56.977 56.400 0.035 0.000 0.869 207 E CB 0.018 29.759 29.700 0.068 0.000 0.836 207 E HN 0.315 nan 8.360 nan 0.000 0.520 208 N N 0.676 119.378 118.700 0.003 0.000 2.184 208 N HA 0.068 4.808 4.740 -0.000 0.000 0.206 208 N C 1.128 176.603 175.510 -0.060 0.000 1.151 208 N CA 0.132 53.172 53.050 -0.016 0.000 0.878 208 N CB 1.364 39.845 38.487 -0.010 0.000 1.014 208 N HN 0.056 nan 8.380 nan 0.000 0.512 209 V N 0.864 120.736 119.914 -0.069 0.000 2.484 209 V HA 0.070 4.190 4.120 -0.000 0.000 0.236 209 V C 2.260 178.299 176.094 -0.093 0.000 1.062 209 V CA 0.571 62.774 62.300 -0.161 0.000 1.081 209 V CB -0.252 31.480 31.823 -0.151 0.000 0.751 209 V HN 0.080 nan 8.190 nan 0.000 0.484 210 L N 0.481 121.735 121.223 0.053 0.000 2.141 210 L HA 0.006 4.346 4.340 -0.000 0.000 0.209 210 L C 2.008 178.970 176.870 0.152 0.000 1.094 210 L CA 1.541 56.500 54.840 0.198 0.000 0.763 210 L CB -0.470 41.680 42.059 0.151 0.000 0.908 210 L HN 0.391 nan 8.230 nan 0.000 0.437 211 A N -0.430 122.424 122.820 0.057 0.000 2.545 211 A HA 0.375 4.695 4.320 -0.000 0.000 0.277 211 A C 1.887 179.470 177.584 -0.003 0.000 1.301 211 A CA 0.391 52.431 52.037 0.004 0.000 0.935 211 A CB -0.354 18.645 19.000 -0.001 0.000 1.093 211 A HN 0.329 nan 8.150 nan 0.000 0.519 212 G N 0.752 109.558 108.800 0.010 0.000 2.440 212 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 212 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 212 G C 1.473 176.386 174.900 0.021 0.000 1.154 212 G CA 1.144 46.238 45.100 -0.009 0.000 0.767 212 G HN 0.617 nan 8.290 nan 0.000 0.552 213 N N 0.913 119.643 118.700 0.050 0.000 2.142 213 N HA -0.072 4.668 4.740 -0.000 0.000 0.186 213 N C 2.598 178.127 175.510 0.032 0.000 1.023 213 N CA 1.133 54.229 53.050 0.076 0.000 0.852 213 N CB -0.141 38.424 38.487 0.131 0.000 0.998 213 N HN 0.239 nan 8.380 nan 0.000 0.424 214 A N 1.647 124.492 122.820 0.041 0.000 1.865 214 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 214 A C 2.323 179.933 177.584 0.043 0.000 1.191 214 A CA 1.564 53.676 52.037 0.126 0.000 0.623 214 A CB -0.632 18.345 19.000 -0.039 0.000 0.826 214 A HN 0.354 nan 8.150 nan 0.000 0.444 215 M N -1.383 118.215 119.600 -0.004 0.000 2.080 215 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 215 M C 2.288 178.563 176.300 -0.042 0.000 1.068 215 M CA 1.527 56.818 55.300 -0.016 0.000 1.109 215 M CB -0.474 32.126 32.600 -0.000 0.000 1.342 215 M HN 0.298 nan 8.290 nan 0.000 0.405 216 M N -0.468 119.110 119.600 -0.037 0.000 2.229 216 M HA -0.120 4.360 4.480 -0.000 0.000 0.264 216 M C 2.172 178.385 176.300 -0.145 0.000 1.063 216 M CA 1.552 56.852 55.300 0.002 0.000 1.114 216 M CB -1.210 31.477 32.600 0.146 0.000 1.387 216 M HN 0.178 nan 8.290 nan 0.000 0.420 217 R N 0.718 120.880 120.500 -0.563 0.000 2.073 217 R HA -0.009 4.331 4.340 -0.000 0.000 0.229 217 R C 2.113 178.058 176.300 -0.591 0.000 1.120 217 R CA 1.569 57.005 56.100 -1.107 0.000 0.967 217 R CB -0.375 28.799 30.300 -1.876 0.000 0.862 217 R HN 0.252 nan 8.270 nan 0.000 0.436 218 R N -0.075 120.209 120.500 -0.361 0.000 2.105 218 R HA -0.032 4.308 4.340 -0.000 0.000 0.239 218 R C 2.209 178.451 176.300 -0.097 0.000 1.135 218 R CA 1.451 57.406 56.100 -0.241 0.000 0.967 218 R CB -0.498 29.726 30.300 -0.126 0.000 0.861 218 R HN 0.324 nan 8.270 nan 0.000 0.442 219 A N 0.824 123.628 122.820 -0.026 0.000 2.019 219 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 219 A C 2.208 179.929 177.584 0.228 0.000 1.164 219 A CA 1.952 54.073 52.037 0.141 0.000 0.644 219 A CB -0.964 18.114 19.000 0.129 0.000 0.805 219 A HN 0.538 nan 8.150 nan 0.000 0.449 220 T N -3.371 111.270 114.554 0.145 0.000 2.803 220 T HA -0.232 4.118 4.350 -0.000 0.000 0.269 220 T C 1.747 176.654 174.700 0.345 0.000 1.052 220 T CA 1.625 63.871 62.100 0.245 0.000 1.136 220 T CB -0.654 68.360 68.868 0.244 0.000 0.864 220 T HN 0.604 nan 8.240 nan 0.000 0.467 221 Y N 1.222 121.554 120.300 0.053 0.000 2.206 221 Y HA -0.036 4.514 4.550 -0.000 0.000 0.292 221 Y C 3.262 179.177 175.900 0.026 0.000 1.123 221 Y CA 0.482 58.599 58.100 0.029 0.000 1.142 221 Y CB -0.042 38.401 38.460 -0.028 0.000 1.006 221 Y HN 0.119 nan 8.280 nan 0.000 0.518 222 Q N -0.510 119.400 119.800 0.185 0.000 2.124 222 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 222 Q C 1.485 177.451 176.000 -0.057 0.000 0.977 222 Q CA 1.581 57.399 55.803 0.024 0.000 0.850 222 Q CB -0.517 28.199 28.738 -0.037 0.000 0.901 222 Q HN 0.633 nan 8.270 nan 0.000 0.429 223 Y N -0.470 119.890 120.300 0.100 0.000 2.466 223 Y HA 0.239 4.789 4.550 -0.000 0.000 0.272 223 Y C 1.222 177.183 175.900 0.102 0.000 1.169 223 Y CA 0.261 58.427 58.100 0.110 0.000 1.285 223 Y CB 0.287 38.810 38.460 0.104 0.000 1.078 223 Y HN 0.198 nan 8.280 nan 0.000 0.523 224 G N 1.140 110.052 108.800 0.186 0.000 2.386 224 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.295 224 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.295 224 G C 1.013 175.974 174.900 0.103 0.000 0.979 224 G CA 0.767 45.928 45.100 0.101 0.000 1.193 224 G HN 0.490 nan 8.290 nan 0.000 0.508 225 T N -3.358 111.282 114.554 0.143 0.000 3.035 225 T HA 0.010 4.360 4.350 -0.000 0.000 0.268 225 T C 1.732 176.459 174.700 0.045 0.000 1.109 225 T CA 1.678 63.853 62.100 0.124 0.000 1.119 225 T CB 0.041 69.011 68.868 0.171 0.000 0.900 225 T HN 0.579 nan 8.240 nan 0.000 0.503 226 Q N 0.346 120.117 119.800 -0.049 0.000 2.282 226 Q HA 0.405 4.745 4.340 -0.000 0.000 0.206 226 Q C -0.086 175.663 176.000 -0.418 0.000 0.878 226 Q CA -0.209 55.436 55.803 -0.263 0.000 0.944 226 Q CB 0.282 28.744 28.738 -0.460 0.000 1.100 226 Q HN 0.523 nan 8.270 nan 0.000 0.509 227 L N 2.518 123.609 121.223 -0.220 0.000 2.357 227 L HA 0.400 4.740 4.340 -0.000 0.000 0.273 227 L C -1.938 174.884 176.870 -0.080 0.000 1.080 227 L CA -2.196 52.553 54.840 -0.152 0.000 0.803 227 L CB 0.153 42.184 42.059 -0.047 0.000 1.174 227 L HN -0.067 nan 8.230 nan 0.000 0.443 228 P HA 0.118 nan 4.420 nan 0.000 0.272 228 P C -1.157 176.105 177.300 -0.064 0.000 1.230 228 P CA -0.581 62.483 63.100 -0.060 0.000 0.788 228 P CB 0.655 32.325 31.700 -0.050 0.000 0.949 229 K N 0.839 121.175 120.400 -0.107 0.000 2.349 229 K HA 0.603 4.923 4.320 -0.000 0.000 0.288 229 K C 0.655 177.151 176.600 -0.173 0.000 1.058 229 K CA 0.532 56.755 56.287 -0.107 0.000 0.953 229 K CB 0.020 32.324 32.500 -0.326 0.000 0.997 229 K HN 0.855 nan 8.250 nan 0.000 0.477 230 G N 2.841 111.463 108.800 -0.297 0.000 2.316 230 G HA2 0.133 4.093 3.960 -0.000 0.000 0.296 230 G HA3 0.133 4.093 3.960 -0.000 0.000 0.296 230 G C -2.535 171.929 174.900 -0.726 0.000 1.399 230 G CA -1.004 43.528 45.100 -0.947 0.000 0.833 230 G HN 0.257 nan 8.290 nan 0.000 0.565 231 P HA 0.010 nan 4.420 nan 0.000 0.222 231 P C 0.941 178.162 177.300 -0.131 0.000 1.147 231 P CA 1.240 64.169 63.100 -0.285 0.000 0.790 231 P CB 0.254 31.806 31.700 -0.247 0.000 0.780 232 Q N -1.356 118.390 119.800 -0.091 0.000 2.157 232 Q HA 0.361 4.701 4.340 -0.000 0.000 0.229 232 Q C 0.793 176.880 176.000 0.144 0.000 0.827 232 Q CA -0.308 55.557 55.803 0.103 0.000 1.055 232 Q CB 1.035 29.841 28.738 0.114 0.000 1.157 232 Q HN 0.159 nan 8.270 nan 0.000 0.482 233 G N -0.308 108.534 108.800 0.070 0.000 3.253 233 G HA2 0.122 4.082 3.960 -0.000 0.000 0.175 233 G HA3 0.122 4.082 3.960 -0.000 0.000 0.175 233 G C -1.121 173.852 174.900 0.122 0.000 1.098 233 G CA -0.288 44.861 45.100 0.080 0.000 0.790 233 G HN 0.009 nan 8.290 nan 0.000 0.648 234 Q N 0.518 120.388 119.800 0.117 0.000 2.314 234 Q HA 0.330 4.670 4.340 -0.000 0.000 0.258 234 Q C 0.797 176.989 176.000 0.320 0.000 0.954 234 Q CA 0.087 56.004 55.803 0.190 0.000 0.890 234 Q CB 1.621 30.455 28.738 0.160 0.000 1.210 234 Q HN 0.672 nan 8.270 nan 0.000 0.410 235 V N 0.115 120.250 119.914 0.369 0.000 3.497 235 V HA 0.452 4.572 4.120 -0.000 0.000 0.272 235 V C -0.120 176.145 176.094 0.284 0.000 1.474 235 V CA 0.429 63.020 62.300 0.484 0.000 1.025 235 V CB 1.013 33.079 31.823 0.405 0.000 0.820 235 V HN 0.697 nan 8.190 nan 0.000 0.437 236 D N -1.374 119.148 120.400 0.205 0.000 2.926 236 D HA 0.430 5.070 4.640 -0.000 0.000 0.272 236 D C -0.851 175.518 176.300 0.116 0.000 1.172 236 D CA -0.261 53.778 54.000 0.065 0.000 0.731 236 D CB 1.614 42.420 40.800 0.010 0.000 1.282 236 D HN -0.000 nan 8.370 nan 0.000 0.430 237 M N 2.309 121.968 119.600 0.098 0.000 2.809 237 M HA 0.668 5.148 4.480 -0.000 0.000 0.388 237 M C 0.634 176.981 176.300 0.078 0.000 1.248 237 M CA 0.733 56.093 55.300 0.098 0.000 0.885 237 M CB -0.637 32.049 32.600 0.144 0.000 1.386 237 M HN 0.781 nan 8.290 nan 0.000 0.509 238 A N 0.366 123.223 122.820 0.061 0.000 1.282 238 A HA -0.320 4.000 4.320 -0.000 0.000 0.224 238 A C 1.237 178.807 177.584 -0.024 0.000 0.457 238 A CA 2.147 54.214 52.037 0.050 0.000 1.095 238 A CB -2.319 16.798 19.000 0.194 0.000 1.470 238 A HN 0.957 nan 8.150 nan 0.000 0.723 239 I N -2.133 118.342 120.570 -0.158 0.000 3.684 239 I HA 0.549 4.719 4.170 -0.000 0.000 0.304 239 I C 0.930 177.093 176.117 0.078 0.000 1.278 239 I CA 0.878 62.050 61.300 -0.213 0.000 1.272 239 I CB -0.248 37.287 38.000 -0.775 0.000 1.029 239 I HN 1.376 nan 8.210 nan 0.000 0.458 240 G N 0.632 109.498 108.800 0.110 0.000 2.441 240 G HA2 0.191 4.151 3.960 -0.000 0.000 0.294 240 G HA3 0.191 4.151 3.960 -0.000 0.000 0.294 240 G C -0.315 174.696 174.900 0.184 0.000 1.393 240 G CA -0.529 44.700 45.100 0.215 0.000 0.796 240 G HN -0.219 nan 8.290 nan 0.000 0.494 241 K N -0.488 120.056 120.400 0.240 0.000 2.148 241 K HA 0.276 4.596 4.320 -0.000 0.000 0.204 241 K C 1.236 177.980 176.600 0.240 0.000 1.050 241 K CA 1.385 57.724 56.287 0.087 0.000 0.942 241 K CB -0.152 32.300 32.500 -0.079 0.000 0.724 241 K HN 1.354 nan 8.250 nan 0.000 0.446 242 G N -0.098 108.971 108.800 0.448 0.000 2.315 242 G HA2 0.285 4.245 3.960 -0.000 0.000 0.294 242 G HA3 0.285 4.245 3.960 -0.000 0.000 0.294 242 G C -2.211 173.061 174.900 0.620 0.000 1.300 242 G CA -0.896 44.495 45.100 0.484 0.000 0.843 242 G HN 0.014 nan 8.290 nan 0.000 0.527 243 L N 1.111 122.637 121.223 0.504 0.000 2.307 243 L HA 0.845 5.185 4.340 -0.000 0.000 0.284 243 L C 0.882 177.969 176.870 0.362 0.000 1.023 243 L CA -0.232 54.802 54.840 0.323 0.000 0.810 243 L CB 1.088 43.195 42.059 0.080 0.000 1.231 243 L HN 1.344 nan 8.230 nan 0.000 0.423 244 A N 5.588 128.565 122.820 0.262 0.000 2.445 244 A HA 0.521 4.841 4.320 -0.000 0.000 0.242 244 A C -0.065 177.602 177.584 0.137 0.000 1.075 244 A CA -0.153 52.065 52.037 0.301 0.000 0.777 244 A CB 0.123 19.162 19.000 0.065 0.000 1.013 244 A HN 0.759 nan 8.150 nan 0.000 0.493 245 R N 0.860 121.442 120.500 0.137 0.000 2.387 245 R HA 0.650 4.990 4.340 -0.000 0.000 0.314 245 R C 0.186 176.509 176.300 0.039 0.000 0.958 245 R CA 0.204 56.337 56.100 0.055 0.000 0.846 245 R CB 1.966 32.293 30.300 0.045 0.000 1.147 245 R HN 1.175 nan 8.270 nan 0.000 0.447 246 G N 2.765 111.571 108.800 0.010 0.000 2.315 246 G HA2 0.171 4.131 3.960 -0.000 0.000 0.294 246 G HA3 0.171 4.131 3.960 -0.000 0.000 0.294 246 G C -3.070 171.829 174.900 -0.002 0.000 1.300 246 G CA -1.005 44.101 45.100 0.010 0.000 0.843 246 G HN 0.272 nan 8.290 nan 0.000 0.527 247 P HA 0.385 nan 4.420 nan 0.000 0.266 247 P C -0.437 176.869 177.300 0.010 0.000 1.195 247 P CA -0.267 62.838 63.100 0.007 0.000 0.768 247 P CB 0.807 32.517 31.700 0.017 0.000 0.838 248 L N 3.175 124.407 121.223 0.015 0.000 2.264 248 L HA 0.466 4.806 4.340 -0.000 0.000 0.289 248 L C 0.072 176.990 176.870 0.080 0.000 1.044 248 L CA 0.214 55.076 54.840 0.038 0.000 0.807 248 L CB 0.475 42.559 42.059 0.042 0.000 1.192 248 L HN 0.461 nan 8.230 nan 0.000 0.425 249 S N 5.773 121.542 115.700 0.114 0.000 2.648 249 S HA 0.854 5.324 4.470 -0.000 0.000 0.305 249 S C -0.895 173.832 174.600 0.212 0.000 1.094 249 S CA -0.834 57.442 58.200 0.127 0.000 0.983 249 S CB 1.686 64.945 63.200 0.100 0.000 1.101 249 S HN 0.811 nan 8.310 nan 0.000 0.514 250 L N 1.693 122.995 121.223 0.132 0.000 2.676 250 L HA 0.479 4.819 4.340 -0.000 0.000 0.262 250 L C -2.109 174.794 176.870 0.055 0.000 0.932 250 L CA -0.587 54.292 54.840 0.065 0.000 0.932 250 L CB 1.414 43.386 42.059 -0.144 0.000 1.355 250 L HN 0.789 nan 8.230 nan 0.000 0.421 251 L N 3.921 125.218 121.223 0.122 0.000 2.346 251 L HA 0.692 5.032 4.340 -0.000 0.000 0.276 251 L C 0.448 177.387 176.870 0.116 0.000 1.006 251 L CA -0.597 54.302 54.840 0.098 0.000 0.817 251 L CB 1.988 44.099 42.059 0.087 0.000 1.272 251 L HN 0.718 nan 8.230 nan 0.000 0.421 252 A N 4.575 127.427 122.820 0.054 0.000 2.462 252 A HA 0.491 4.811 4.320 -0.000 0.000 0.243 252 A C -2.251 175.323 177.584 -0.017 0.000 1.076 252 A CA -0.973 51.095 52.037 0.050 0.000 0.773 252 A CB -0.512 18.504 19.000 0.027 0.000 1.010 252 A HN 0.406 nan 8.150 nan 0.000 0.493 253 P HA 0.079 nan 4.420 nan 0.000 0.267 253 P C 0.834 178.050 177.300 -0.140 0.000 1.200 253 P CA 0.357 63.335 63.100 -0.203 0.000 0.772 253 P CB 0.491 32.040 31.700 -0.252 0.000 0.855 254 T N -0.876 113.576 114.554 -0.170 0.000 3.037 254 T HA 0.150 4.500 4.350 -0.000 0.000 0.251 254 T C 0.654 175.278 174.700 -0.127 0.000 1.079 254 T CA 0.075 62.101 62.100 -0.124 0.000 1.067 254 T CB 0.292 69.088 68.868 -0.120 0.000 0.948 254 T HN 0.390 nan 8.240 nan 0.000 0.496 255 R N 0.312 120.709 120.500 -0.171 0.000 2.564 255 R HA 0.656 4.996 4.340 -0.000 0.000 0.284 255 R C -1.907 174.273 176.300 -0.200 0.000 1.031 255 R CA -0.791 55.207 56.100 -0.169 0.000 0.904 255 R CB 1.331 31.519 30.300 -0.186 0.000 1.199 255 R HN 0.213 nan 8.270 nan 0.000 0.443 256 L N 4.843 125.974 121.223 -0.153 0.000 2.334 256 L HA 0.526 4.866 4.340 -0.000 0.000 0.276 256 L C -0.261 176.514 176.870 -0.158 0.000 1.014 256 L CA -1.266 53.485 54.840 -0.147 0.000 0.815 256 L CB 1.886 43.899 42.059 -0.076 0.000 1.268 256 L HN 0.499 nan 8.230 nan 0.000 0.428 257 I N 2.852 123.306 120.570 -0.195 0.000 2.337 257 I HA 0.223 4.393 4.170 -0.000 0.000 0.291 257 I C 0.404 176.479 176.117 -0.069 0.000 1.046 257 I CA -0.146 61.056 61.300 -0.164 0.000 1.324 257 I CB 0.519 38.370 38.000 -0.248 0.000 1.409 257 I HN 0.574 nan 8.210 nan 0.000 0.494 258 E N 3.614 123.795 120.200 -0.032 0.000 2.232 258 E HA 0.603 4.953 4.350 -0.000 0.000 0.265 258 E C 0.723 177.331 176.600 0.014 0.000 1.001 258 E CA -0.190 56.204 56.400 -0.009 0.000 0.870 258 E CB 1.809 31.505 29.700 -0.006 0.000 1.175 258 E HN 0.766 nan 8.360 nan 0.000 0.407 259 G N 2.232 111.043 108.800 0.018 0.000 2.566 259 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.280 259 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.280 259 G C 0.680 175.608 174.900 0.047 0.000 1.225 259 G CA 0.366 45.485 45.100 0.033 0.000 0.966 259 G HN 0.564 nan 8.290 nan 0.000 0.560 260 E N 1.877 122.116 120.200 0.065 0.000 2.274 260 E HA 0.305 4.655 4.350 -0.000 0.000 0.194 260 E C 1.406 178.067 176.600 0.102 0.000 0.996 260 E CA 1.621 58.075 56.400 0.090 0.000 0.840 260 E CB 0.024 29.779 29.700 0.092 0.000 0.772 260 E HN 1.821 nan 8.360 nan 0.000 0.491 261 G N 0.378 109.239 108.800 0.102 0.000 2.350 261 G HA2 0.161 4.121 3.960 -0.000 0.000 0.282 261 G HA3 0.161 4.121 3.960 -0.000 0.000 0.282 261 G C -1.648 173.344 174.900 0.154 0.000 1.314 261 G CA -0.438 44.750 45.100 0.146 0.000 0.915 261 G HN 0.038 nan 8.290 nan 0.000 0.499 262 E N -0.753 119.585 120.200 0.230 0.000 2.388 262 E HA 0.420 4.770 4.350 -0.000 0.000 0.282 262 E C -2.034 174.738 176.600 0.287 0.000 1.026 262 E CA -0.738 55.792 56.400 0.217 0.000 0.820 262 E CB 1.801 31.603 29.700 0.171 0.000 1.226 262 E HN 0.360 nan 8.360 nan 0.000 0.432 263 D N 3.469 123.993 120.400 0.207 0.000 2.233 263 D HA 0.436 5.076 4.640 -0.000 0.000 0.240 263 D C -0.378 176.033 176.300 0.185 0.000 1.074 263 D CA -0.063 54.048 54.000 0.185 0.000 0.838 263 D CB 1.141 42.026 40.800 0.141 0.000 1.124 263 D HN 0.281 nan 8.370 nan 0.000 0.475 264 L N 0.787 122.142 121.223 0.219 0.000 2.333 264 L HA 0.561 4.901 4.340 -0.000 0.000 0.263 264 L C -0.492 176.476 176.870 0.163 0.000 1.014 264 L CA -1.320 53.630 54.840 0.183 0.000 0.820 264 L CB 2.311 44.505 42.059 0.226 0.000 1.352 264 L HN -0.025 nan 8.230 nan 0.000 0.421 265 V N 2.936 122.916 119.914 0.110 0.000 2.370 265 V HA 0.425 4.545 4.120 -0.000 0.000 0.283 265 V C -0.200 175.931 176.094 0.062 0.000 1.023 265 V CA -0.391 61.977 62.300 0.113 0.000 0.857 265 V CB 1.630 33.498 31.823 0.076 0.000 0.985 265 V HN 0.442 nan 8.190 nan 0.000 0.443 266 L N 3.926 125.194 121.223 0.075 0.000 2.298 266 L HA 0.500 4.840 4.340 -0.000 0.000 0.284 266 L C 0.347 177.245 176.870 0.046 0.000 1.013 266 L CA -0.479 54.340 54.840 -0.035 0.000 0.824 266 L CB 1.116 42.993 42.059 -0.303 0.000 1.221 266 L HN 0.776 nan 8.230 nan 0.000 0.418 267 D N 3.298 123.708 120.400 0.016 0.000 2.708 267 D HA -0.204 4.436 4.640 -0.000 0.000 0.236 267 D C 1.099 177.424 176.300 0.043 0.000 1.146 267 D CA 1.506 55.519 54.000 0.022 0.000 0.662 267 D CB -0.607 40.205 40.800 0.020 0.000 1.059 267 D HN 1.039 nan 8.370 nan 0.000 0.428 268 G N -2.291 106.536 108.800 0.045 0.000 2.217 268 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.246 268 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.246 268 G C 0.354 175.292 174.900 0.063 0.000 0.990 268 G CA 0.184 45.309 45.100 0.043 0.000 0.627 268 G HN 0.956 nan 8.290 nan 0.000 0.522 269 V N 3.735 123.722 119.914 0.122 0.000 2.370 269 V HA 0.510 4.630 4.120 -0.000 0.000 0.279 269 V C -1.591 174.630 176.094 0.211 0.000 1.029 269 V CA -1.540 60.845 62.300 0.143 0.000 0.870 269 V CB 1.697 33.654 31.823 0.223 0.000 0.984 269 V HN 0.230 nan 8.190 nan 0.000 0.451 270 P HA 0.323 nan 4.420 nan 0.000 0.276 270 P C -1.202 176.064 177.300 -0.056 0.000 1.230 270 P CA -0.056 63.073 63.100 0.047 0.000 0.776 270 P CB 0.576 32.250 31.700 -0.044 0.000 0.888 271 F N 0.571 120.405 119.950 -0.193 0.000 2.540 271 F HA 0.357 4.884 4.527 -0.000 0.000 0.317 271 F C 0.567 176.132 175.800 -0.393 0.000 1.104 271 F CA -0.235 57.519 58.000 -0.410 0.000 0.913 271 F CB 2.105 40.753 39.000 -0.587 0.000 1.170 271 F HN 0.071 nan 8.300 nan 0.000 0.450 272 T N 4.057 118.448 114.554 -0.272 0.000 2.779 272 T HA 0.553 4.903 4.350 -0.000 0.000 0.280 272 T C -0.928 173.578 174.700 -0.323 0.000 0.987 272 T CA -0.380 61.650 62.100 -0.118 0.000 0.966 272 T CB 0.320 69.282 68.868 0.157 0.000 0.933 272 T HN 0.165 nan 8.240 nan 0.000 0.442 273 F N 2.314 122.337 119.950 0.122 0.000 2.436 273 F HA 0.448 4.975 4.527 -0.000 0.000 0.340 273 F C 0.718 176.575 175.800 0.095 0.000 1.113 273 F CA -0.909 57.136 58.000 0.075 0.000 1.022 273 F CB 1.487 40.516 39.000 0.049 0.000 1.128 273 F HN 0.325 nan 8.300 nan 0.000 0.466 274 Q N 3.949 123.893 119.800 0.239 0.000 2.413 274 Q HA 0.308 4.648 4.340 -0.000 0.000 0.258 274 Q C -1.079 174.965 176.000 0.074 0.000 1.037 274 Q CA -0.563 55.365 55.803 0.208 0.000 0.764 274 Q CB 0.660 29.582 28.738 0.307 0.000 1.217 274 Q HN 0.755 nan 8.270 nan 0.000 0.490 275 N N 1.602 120.319 118.700 0.028 0.000 2.492 275 N HA 0.041 4.781 4.740 -0.000 0.000 0.262 275 N C -0.496 174.792 175.510 -0.369 0.000 1.202 275 N CA 0.629 53.614 53.050 -0.108 0.000 0.926 275 N CB 0.726 39.173 38.487 -0.066 0.000 1.078 275 N HN 0.516 nan 8.380 nan 0.000 0.454 276 T N -0.595 113.618 114.554 -0.567 0.000 3.504 276 T HA 0.293 4.643 4.350 -0.000 0.000 0.286 276 T C -2.835 171.423 174.700 -0.737 0.000 1.530 276 T CA -1.962 59.438 62.100 -1.167 0.000 1.652 276 T CB 0.662 69.024 68.868 -0.842 0.000 0.895 276 T HN 0.200 nan 8.240 nan 0.000 0.674 277 P HA 0.344 nan 4.420 nan 0.000 0.271 277 P C 1.005 178.212 177.300 -0.156 0.000 1.216 277 P CA 0.782 63.745 63.100 -0.228 0.000 0.771 277 P CB 0.565 32.210 31.700 -0.093 0.000 0.864 278 G N 1.775 110.482 108.800 -0.154 0.000 2.182 278 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.248 278 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.248 278 G C 0.479 175.296 174.900 -0.137 0.000 1.042 278 G CA 0.543 45.589 45.100 -0.091 0.000 0.775 278 G HN 0.776 nan 8.290 nan 0.000 0.501 279 T N -3.942 110.396 114.554 -0.360 0.000 2.589 279 T HA 0.408 4.758 4.350 -0.000 0.000 0.178 279 T C 1.481 175.582 174.700 -0.999 0.000 0.708 279 T CA 0.945 62.631 62.100 -0.690 0.000 1.734 279 T CB 0.095 68.361 68.868 -1.004 0.000 2.792 279 T HN 0.021 nan 8.240 nan 0.000 0.406 280 E N 1.369 120.645 120.200 -1.540 0.000 2.204 280 E HA -0.010 4.339 4.350 -0.000 0.000 0.195 280 E C 0.471 176.821 176.600 -0.416 0.000 0.990 280 E CA 0.612 56.352 56.400 -1.100 0.000 0.821 280 E CB 0.020 29.064 29.700 -1.093 0.000 0.750 280 E HN 0.468 nan 8.360 nan 0.000 0.477 281 S N -1.388 114.040 115.700 -0.453 0.000 2.564 281 S HA 0.373 4.843 4.470 -0.000 0.000 0.274 281 S C -2.408 172.059 174.600 -0.220 0.000 1.124 281 S CA -1.407 56.619 58.200 -0.290 0.000 0.869 281 S CB 1.804 64.736 63.200 -0.448 0.000 1.105 281 S HN -0.237 nan 8.310 nan 0.000 0.472 282 P HA 0.112 nan 4.420 nan 0.000 0.219 282 P C -0.345 176.888 177.300 -0.113 0.000 1.146 282 P CA 0.882 63.925 63.100 -0.096 0.000 0.808 282 P CB 0.138 31.807 31.700 -0.052 0.000 0.779 283 A N -0.331 122.417 122.820 -0.121 0.000 2.363 283 A HA 0.605 4.925 4.320 -0.000 0.000 0.296 283 A C -0.625 176.921 177.584 -0.064 0.000 1.237 283 A CA -0.254 51.739 52.037 -0.075 0.000 0.773 283 A CB 0.659 19.646 19.000 -0.021 0.000 1.153 283 A HN -0.033 nan 8.150 nan 0.000 0.473 284 E N 2.198 122.327 120.200 -0.117 0.000 2.375 284 E HA 0.696 5.046 4.350 -0.000 0.000 0.280 284 E C -1.150 175.358 176.600 -0.154 0.000 0.972 284 E CA -0.596 55.719 56.400 -0.142 0.000 0.782 284 E CB 1.601 31.102 29.700 -0.332 0.000 1.229 284 E HN 0.841 nan 8.360 nan 0.000 0.439 285 M N 1.744 121.287 119.600 -0.095 0.000 2.371 285 M HA 0.601 5.081 4.480 -0.000 0.000 0.287 285 M C -1.414 174.870 176.300 -0.027 0.000 1.149 285 M CA -1.062 54.208 55.300 -0.050 0.000 0.929 285 M CB 1.788 34.420 32.600 0.053 0.000 1.683 285 M HN 0.182 nan 8.290 nan 0.000 0.470 286 N N 2.320 121.000 118.700 -0.034 0.000 2.424 286 N HA 0.639 5.379 4.740 -0.000 0.000 0.257 286 N C -1.111 174.379 175.510 -0.033 0.000 1.250 286 N CA -0.073 52.945 53.050 -0.053 0.000 0.946 286 N CB 1.415 39.881 38.487 -0.036 0.000 1.175 286 N HN 0.708 nan 8.380 nan 0.000 0.477 287 I N 0.537 121.025 120.570 -0.137 0.000 2.447 287 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 287 I C -0.655 175.281 176.117 -0.301 0.000 1.023 287 I CA -0.674 60.495 61.300 -0.218 0.000 1.083 287 I CB 1.979 39.898 38.000 -0.135 0.000 1.245 287 I HN 0.319 nan 8.210 nan 0.000 0.434 288 W N 8.380 129.275 121.300 -0.675 0.000 2.433 288 W HA 0.609 5.269 4.660 -0.000 0.000 0.315 288 W C -1.934 174.273 176.519 -0.521 0.000 1.087 288 W CA -0.868 56.056 57.345 -0.702 0.000 1.205 288 W CB 1.464 30.214 29.460 -1.184 0.000 1.288 288 W HN 0.323 nan 8.180 nan 0.000 0.504 289 L N 9.366 129.959 121.223 -1.051 0.000 2.356 289 L HA 0.252 4.592 4.340 -0.000 0.000 0.264 289 L C -1.326 174.761 176.870 -1.306 0.000 1.029 289 L CA -1.773 52.444 54.840 -1.038 0.000 0.897 289 L CB 1.519 43.132 42.059 -0.743 0.000 1.256 289 L HN 0.264 nan 8.230 nan 0.000 0.444 290 P HA -0.156 nan 4.420 nan 0.000 0.220 290 P C 1.431 178.464 177.300 -0.445 0.000 1.148 290 P CA 1.064 63.685 63.100 -0.799 0.000 0.803 290 P CB 0.264 31.822 31.700 -0.238 0.000 0.782 291 R N 0.155 120.428 120.500 -0.379 0.000 2.075 291 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 291 R C 1.949 178.108 176.300 -0.234 0.000 1.126 291 R CA 1.474 57.434 56.100 -0.232 0.000 0.963 291 R CB -0.193 29.996 30.300 -0.186 0.000 0.858 291 R HN 0.119 nan 8.270 nan 0.000 0.435 292 Q N 0.166 119.772 119.800 -0.323 0.000 2.360 292 Q HA 0.105 4.445 4.340 -0.000 0.000 0.202 292 Q C -0.383 175.449 176.000 -0.279 0.000 0.915 292 Q CA 0.107 55.753 55.803 -0.262 0.000 0.943 292 Q CB 0.743 29.322 28.738 -0.265 0.000 1.064 292 Q HN 0.038 nan 8.270 nan 0.000 0.511 293 K N -0.590 119.534 120.400 -0.461 0.000 3.077 293 K HA -0.194 4.126 4.320 -0.000 0.000 0.264 293 K C -0.810 175.597 176.600 -0.321 0.000 1.008 293 K CA 0.930 56.935 56.287 -0.471 0.000 0.740 293 K CB -2.130 30.380 32.500 0.016 0.000 1.273 293 K HN 0.313 nan 8.250 nan 0.000 0.477 294 A N 0.804 123.317 122.820 -0.512 0.000 2.304 294 A HA 0.660 4.980 4.320 -0.000 0.000 0.323 294 A C -0.458 177.133 177.584 0.012 0.000 1.195 294 A CA -0.772 51.178 52.037 -0.145 0.000 0.826 294 A CB 1.075 19.976 19.000 -0.166 0.000 1.184 294 A HN 0.266 nan 8.150 nan 0.000 0.496 295 L N 3.361 124.739 121.223 0.258 0.000 2.316 295 L HA 0.513 4.853 4.340 -0.000 0.000 0.280 295 L C -1.054 175.783 176.870 -0.055 0.000 1.006 295 L CA -0.317 54.646 54.840 0.205 0.000 0.836 295 L CB 1.121 43.342 42.059 0.270 0.000 1.221 295 L HN 0.677 nan 8.230 nan 0.000 0.418 296 L N 6.150 127.174 121.223 -0.332 0.000 2.270 296 L HA 0.310 4.650 4.340 -0.000 0.000 0.286 296 L C 0.279 176.910 176.870 -0.397 0.000 1.059 296 L CA -0.364 54.012 54.840 -0.772 0.000 0.839 296 L CB 0.883 42.409 42.059 -0.888 0.000 1.221 296 L HN 0.713 nan 8.230 nan 0.000 0.431 297 M N 4.423 123.831 119.600 -0.319 0.000 2.888 297 M HA 0.118 4.598 4.480 -0.000 0.000 0.216 297 M C 1.245 177.436 176.300 -0.182 0.000 1.291 297 M CA 0.341 55.535 55.300 -0.178 0.000 1.105 297 M CB -1.685 30.851 32.600 -0.106 0.000 1.581 297 M HN 0.826 nan 8.290 nan 0.000 0.439 298 A N 1.497 124.188 122.820 -0.215 0.000 5.328 298 A HA -0.303 4.017 4.320 -0.000 0.000 0.346 298 A C 1.153 178.616 177.584 -0.201 0.000 1.675 298 A CA 2.106 54.020 52.037 -0.205 0.000 0.717 298 A CB -0.906 17.951 19.000 -0.238 0.000 1.467 298 A HN 0.592 nan 8.150 nan 0.000 0.409 299 E N -0.099 119.899 120.200 -0.338 0.000 2.734 299 E HA 0.251 4.600 4.350 -0.000 0.000 0.211 299 E C 0.974 177.449 176.600 -0.208 0.000 0.991 299 E CA 0.446 56.718 56.400 -0.213 0.000 1.065 299 E CB -0.252 29.282 29.700 -0.276 0.000 1.047 299 E HN 0.628 nan 8.360 nan 0.000 0.470 300 N N -0.879 117.696 118.700 -0.209 0.000 2.216 300 N HA -0.046 4.694 4.740 -0.000 0.000 0.183 300 N C -0.313 175.358 175.510 0.269 0.000 1.017 300 N CA 0.696 53.698 53.050 -0.080 0.000 0.861 300 N CB 0.642 39.039 38.487 -0.149 0.000 0.986 300 N HN -0.096 nan 8.380 nan 0.000 0.428 301 V N 1.617 121.615 119.914 0.140 0.000 2.482 301 V HA 0.417 4.537 4.120 -0.000 0.000 0.295 301 V C -0.307 175.834 176.094 0.077 0.000 1.026 301 V CA -0.711 61.681 62.300 0.153 0.000 0.856 301 V CB 1.438 33.297 31.823 0.060 0.000 1.001 301 V HN -0.022 nan 8.190 nan 0.000 0.424 302 V N 1.782 121.773 119.914 0.129 0.000 3.119 302 V HA 0.907 5.027 4.120 -0.000 0.000 0.311 302 V C 0.786 176.873 176.094 -0.013 0.000 1.259 302 V CA -0.352 61.973 62.300 0.042 0.000 1.067 302 V CB 1.844 33.752 31.823 0.140 0.000 1.123 302 V HN 0.748 nan 8.190 nan 0.000 0.463 303 G N 0.062 108.765 108.800 -0.162 0.000 3.574 303 G HA2 0.502 4.462 3.960 -0.000 0.000 0.262 303 G HA3 0.502 4.462 3.960 -0.000 0.000 0.262 303 G C 0.153 175.134 174.900 0.135 0.000 1.231 303 G CA 0.699 45.692 45.100 -0.177 0.000 1.608 303 G HN 1.344 nan 8.290 nan 0.000 0.628 304 T N -0.679 113.997 114.554 0.203 0.000 2.983 304 T HA 0.229 4.579 4.350 -0.000 0.000 0.357 304 T C -1.319 173.472 174.700 0.153 0.000 1.830 304 T CA -0.746 61.493 62.100 0.231 0.000 1.080 304 T CB 0.581 69.629 68.868 0.301 0.000 1.675 304 T HN 0.368 nan 8.240 nan 0.000 0.497 305 L N 5.032 126.268 121.223 0.022 0.000 2.499 305 L HA 0.419 4.759 4.340 -0.000 0.000 0.273 305 L C 0.456 177.406 176.870 0.133 0.000 1.195 305 L CA 0.336 55.153 54.840 -0.037 0.000 0.882 305 L CB 0.202 42.135 42.059 -0.209 0.000 1.133 305 L HN 0.775 nan 8.230 nan 0.000 0.483 306 H N 3.821 123.017 119.070 0.211 0.000 2.500 306 H HA 0.340 4.896 4.556 -0.000 0.000 0.351 306 H C -0.493 174.965 175.328 0.216 0.000 1.281 306 H CA -0.680 55.577 56.048 0.349 0.000 1.368 306 H CB 0.985 31.057 29.762 0.516 0.000 1.616 306 H HN 0.651 nan 8.280 nan 0.000 0.591 307 N N 2.196 121.220 118.700 0.539 0.000 2.470 307 N HA 0.005 4.745 4.740 -0.000 0.000 0.268 307 N C 1.177 176.977 175.510 0.482 0.000 1.136 307 N CA 0.004 53.297 53.050 0.404 0.000 0.961 307 N CB 1.070 39.748 38.487 0.318 0.000 1.067 307 N HN 0.484 nan 8.380 nan 0.000 0.468 308 L N 1.525 122.953 121.223 0.343 0.000 2.341 308 L HA 0.053 4.393 4.340 -0.000 0.000 0.214 308 L C 0.031 177.174 176.870 0.455 0.000 1.115 308 L CA 0.656 55.728 54.840 0.388 0.000 0.820 308 L CB -0.062 42.169 42.059 0.287 0.000 0.944 308 L HN 0.508 nan 8.230 nan 0.000 0.452 309 Y N -0.118 120.366 120.300 0.307 0.000 2.396 309 Y HA 0.351 4.901 4.550 -0.000 0.000 0.332 309 Y C -0.390 175.667 175.900 0.262 0.000 1.034 309 Y CA -1.627 56.631 58.100 0.262 0.000 1.057 309 Y CB 1.617 40.230 38.460 0.255 0.000 1.220 309 Y HN -0.258 nan 8.280 nan 0.000 0.440 310 T N 6.882 121.365 114.554 -0.118 0.000 2.767 310 T HA 0.285 4.635 4.350 -0.000 0.000 0.288 310 T C 0.841 175.123 174.700 -0.696 0.000 0.963 310 T CA -0.490 61.448 62.100 -0.270 0.000 1.019 310 T CB 0.503 69.340 68.868 -0.052 0.000 0.923 310 T HN 0.675 nan 8.240 nan 0.000 0.468 311 L N 4.969 125.776 121.223 -0.693 0.000 2.187 311 L HA -0.041 4.299 4.340 -0.000 0.000 0.213 311 L C 2.723 179.358 176.870 -0.392 0.000 1.100 311 L CA 1.699 56.122 54.840 -0.696 0.000 0.765 311 L CB -0.806 40.945 42.059 -0.514 0.000 0.904 311 L HN 0.761 nan 8.230 nan 0.000 0.437 312 R N 0.152 120.512 120.500 -0.233 0.000 2.249 312 R HA 0.091 4.431 4.340 -0.000 0.000 0.230 312 R C 0.611 176.863 176.300 -0.079 0.000 1.121 312 R CA 0.770 56.809 56.100 -0.102 0.000 0.997 312 R CB -0.610 29.689 30.300 -0.001 0.000 0.867 312 R HN 0.260 nan 8.270 nan 0.000 0.465 313 G N 0.048 108.782 108.800 -0.111 0.000 3.444 313 G HA2 0.310 4.270 3.960 -0.000 0.000 0.685 313 G HA3 0.310 4.270 3.960 -0.000 0.000 0.685 313 G C -0.595 174.366 174.900 0.101 0.000 1.145 313 G CA -0.480 44.655 45.100 0.057 0.000 0.973 313 G HN 0.655 nan 8.290 nan 0.000 0.525 314 A N 2.007 124.966 122.820 0.231 0.000 2.540 314 A HA 0.868 5.188 4.320 -0.000 0.000 0.291 314 A C -0.370 177.360 177.584 0.243 0.000 1.083 314 A CA -0.461 51.692 52.037 0.194 0.000 0.650 314 A CB 0.791 19.887 19.000 0.160 0.000 1.292 314 A HN 1.056 nan 8.150 nan 0.000 0.435 315 E N 0.325 120.625 120.200 0.167 0.000 2.360 315 E HA 0.401 4.751 4.350 -0.000 0.000 0.269 315 E C -0.360 176.343 176.600 0.172 0.000 1.022 315 E CA -0.306 56.175 56.400 0.133 0.000 0.887 315 E CB 1.134 30.888 29.700 0.091 0.000 0.990 315 E HN 0.399 nan 8.360 nan 0.000 0.426 316 V N 3.914 123.909 119.914 0.135 0.000 2.740 316 V HA 0.034 4.154 4.120 -0.000 0.000 0.303 316 V C 0.722 176.921 176.094 0.175 0.000 1.054 316 V CA 0.205 62.606 62.300 0.169 0.000 1.106 316 V CB 0.587 32.454 31.823 0.073 0.000 0.957 316 V HN 0.613 nan 8.190 nan 0.000 0.486 317 R N 2.117 122.770 120.500 0.254 0.000 2.549 317 R HA 0.353 4.693 4.340 -0.000 0.000 0.267 317 R C -0.521 175.943 176.300 0.273 0.000 1.045 317 R CA -0.751 55.512 56.100 0.272 0.000 1.115 317 R CB 0.606 31.153 30.300 0.412 0.000 1.121 317 R HN 0.730 nan 8.270 nan 0.000 0.543 318 D N 0.620 121.175 120.400 0.259 0.000 2.456 318 D HA 0.196 4.836 4.640 -0.000 0.000 0.219 318 D C 0.493 176.989 176.300 0.327 0.000 1.126 318 D CA -0.249 53.894 54.000 0.238 0.000 0.890 318 D CB 1.311 42.202 40.800 0.152 0.000 1.025 318 D HN 0.553 nan 8.370 nan 0.000 0.511 319 A N 3.815 126.842 122.820 0.345 0.000 2.019 319 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 319 A C 1.840 179.539 177.584 0.191 0.000 1.164 319 A CA 0.771 52.993 52.037 0.309 0.000 0.644 319 A CB -0.393 18.810 19.000 0.338 0.000 0.805 319 A HN 0.598 nan 8.150 nan 0.000 0.449 320 L N -0.089 121.143 121.223 0.015 0.000 2.005 320 L HA 0.045 4.385 4.340 -0.000 0.000 0.207 320 L C 2.439 179.299 176.870 -0.017 0.000 1.072 320 L CA 2.342 57.059 54.840 -0.206 0.000 0.744 320 L CB -1.124 40.678 42.059 -0.429 0.000 0.895 320 L HN 0.278 nan 8.230 nan 0.000 0.433 321 G N -1.218 107.615 108.800 0.055 0.000 2.442 321 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 321 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 321 G C 1.430 176.451 174.900 0.201 0.000 1.141 321 G CA 0.672 45.817 45.100 0.076 0.000 0.763 321 G HN 0.545 nan 8.290 nan 0.000 0.554 322 W N 1.525 122.833 121.300 0.013 0.000 2.355 322 W HA -0.109 4.551 4.660 -0.000 0.000 0.309 322 W C 2.753 179.260 176.519 -0.020 0.000 1.206 322 W CA 1.580 58.891 57.345 -0.056 0.000 1.284 322 W CB -0.852 28.451 29.460 -0.261 0.000 1.145 322 W HN 0.302 nan 8.180 nan 0.000 0.502 323 S N 0.274 116.155 115.700 0.301 0.000 2.356 323 S HA -0.196 4.274 4.470 -0.000 0.000 0.223 323 S C 1.965 176.654 174.600 0.149 0.000 1.032 323 S CA 1.871 60.207 58.200 0.226 0.000 1.005 323 S CB -0.269 63.026 63.200 0.159 0.000 0.867 323 S HN 0.265 nan 8.310 nan 0.000 0.449 324 K N -0.731 119.705 120.400 0.060 0.000 2.057 324 K HA -0.041 4.279 4.320 -0.000 0.000 0.206 324 K C 1.953 178.515 176.600 -0.064 0.000 1.050 324 K CA 1.537 57.793 56.287 -0.052 0.000 0.935 324 K CB -0.351 32.044 32.500 -0.176 0.000 0.715 324 K HN 0.506 nan 8.250 nan 0.000 0.439 325 Y N 1.018 121.345 120.300 0.045 0.000 2.274 325 Y HA -0.167 4.383 4.550 -0.000 0.000 0.290 325 Y C 2.107 178.036 175.900 0.048 0.000 1.145 325 Y CA 0.739 58.852 58.100 0.022 0.000 1.203 325 Y CB -0.090 38.350 38.460 -0.034 0.000 0.984 325 Y HN -0.009 nan 8.280 nan 0.000 0.533 326 I N -0.229 120.483 120.570 0.237 0.000 2.252 326 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 326 I C 2.214 178.410 176.117 0.131 0.000 1.102 326 I CA 1.236 62.648 61.300 0.186 0.000 1.385 326 I CB -0.366 37.769 38.000 0.225 0.000 1.064 326 I HN 0.229 nan 8.210 nan 0.000 0.414 327 N N 0.746 119.521 118.700 0.125 0.000 2.120 327 N HA -0.249 4.491 4.740 -0.000 0.000 0.188 327 N C 1.835 177.439 175.510 0.156 0.000 1.024 327 N CA 1.361 54.492 53.050 0.134 0.000 0.852 327 N CB -0.178 38.386 38.487 0.128 0.000 1.003 327 N HN 0.339 nan 8.380 nan 0.000 0.424 328 Q N -0.294 119.559 119.800 0.089 0.000 2.061 328 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 328 Q C 1.765 177.748 176.000 -0.028 0.000 0.984 328 Q CA 1.806 57.632 55.803 0.038 0.000 0.846 328 Q CB -0.208 28.564 28.738 0.058 0.000 0.902 328 Q HN 0.453 nan 8.270 nan 0.000 0.421 329 A N 0.722 123.569 122.820 0.045 0.000 1.930 329 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 329 A C 1.982 179.536 177.584 -0.050 0.000 1.175 329 A CA 1.214 53.289 52.037 0.063 0.000 0.627 329 A CB -0.665 18.468 19.000 0.222 0.000 0.815 329 A HN 0.471 nan 8.150 nan 0.000 0.443 330 L N -0.505 120.687 121.223 -0.052 0.000 2.012 330 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 330 L C 2.263 178.957 176.870 -0.294 0.000 1.073 330 L CA 2.292 57.033 54.840 -0.165 0.000 0.748 330 L CB -0.811 41.128 42.059 -0.201 0.000 0.891 330 L HN 0.540 nan 8.230 nan 0.000 0.431 331 H N -0.931 118.039 119.070 -0.167 0.000 2.502 331 H HA 0.052 4.608 4.556 -0.000 0.000 0.283 331 H C 2.212 177.347 175.328 -0.321 0.000 1.015 331 H CA 0.926 56.858 56.048 -0.194 0.000 1.298 331 H CB 0.269 29.942 29.762 -0.148 0.000 1.411 331 H HN 0.410 nan 8.280 nan 0.000 0.556 332 R N -0.392 119.839 120.500 -0.449 0.000 2.112 332 R HA 0.025 4.365 4.340 -0.000 0.000 0.216 332 R C 1.153 176.865 176.300 -0.980 0.000 1.080 332 R CA 0.973 56.570 56.100 -0.838 0.000 0.996 332 R CB 0.316 29.823 30.300 -1.322 0.000 0.902 332 R HN 0.235 nan 8.270 nan 0.000 0.449 333 F N -2.678 116.998 119.950 -0.455 0.000 2.640 333 F HA 0.286 4.813 4.527 -0.000 0.000 0.285 333 F C 2.200 177.660 175.800 -0.567 0.000 1.031 333 F CA -0.059 57.430 58.000 -0.851 0.000 1.240 333 F CB -0.424 37.975 39.000 -1.002 0.000 1.011 333 F HN -0.016 nan 8.300 nan 0.000 0.656 334 G N 1.428 110.136 108.800 -0.154 0.000 2.442 334 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.219 334 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.219 334 G C 1.684 176.530 174.900 -0.090 0.000 1.141 334 G CA 0.552 45.601 45.100 -0.084 0.000 0.763 334 G HN 0.079 nan 8.290 nan 0.000 0.554 335 R N 0.492 120.910 120.500 -0.136 0.000 2.237 335 R HA -0.043 4.297 4.340 -0.000 0.000 0.219 335 R C 2.230 178.508 176.300 -0.037 0.000 1.080 335 R CA 1.306 57.353 56.100 -0.088 0.000 0.995 335 R CB -0.191 30.049 30.300 -0.101 0.000 0.875 335 R HN 0.721 nan 8.270 nan 0.000 0.462 336 Q N -0.749 119.022 119.800 -0.048 0.000 2.246 336 Q HA 0.366 4.706 4.340 -0.000 0.000 0.222 336 Q C 0.248 176.387 176.000 0.232 0.000 0.851 336 Q CA -0.100 55.745 55.803 0.070 0.000 0.945 336 Q CB 0.627 29.419 28.738 0.089 0.000 1.122 336 Q HN 0.040 nan 8.270 nan 0.000 0.508 337 A N 1.484 124.418 122.820 0.189 0.000 2.462 337 A HA 0.109 4.429 4.320 -0.000 0.000 0.243 337 A C 0.609 178.326 177.584 0.221 0.000 1.076 337 A CA -0.168 52.086 52.037 0.362 0.000 0.773 337 A CB 0.388 19.553 19.000 0.275 0.000 1.010 337 A HN 0.181 nan 8.150 nan 0.000 0.493 338 E N 0.687 121.006 120.200 0.199 0.000 2.434 338 E HA 0.169 4.519 4.350 -0.000 0.000 0.207 338 E C -0.241 176.422 176.600 0.105 0.000 0.929 338 E CA 0.527 57.009 56.400 0.137 0.000 1.001 338 E CB 0.971 30.741 29.700 0.116 0.000 1.016 338 E HN 0.412 nan 8.360 nan 0.000 0.502 339 V N 1.219 121.152 119.914 0.031 0.000 2.888 339 V HA 0.543 4.663 4.120 -0.000 0.000 0.309 339 V C -1.590 174.467 176.094 -0.062 0.000 1.114 339 V CA -0.701 61.500 62.300 -0.165 0.000 0.940 339 V CB 2.238 33.824 31.823 -0.394 0.000 1.021 339 V HN 0.059 nan 8.190 nan 0.000 0.426 340 M N 7.754 127.281 119.600 -0.121 0.000 2.395 340 M HA 0.769 5.249 4.480 -0.000 0.000 0.307 340 M C -1.647 174.667 176.300 0.025 0.000 1.091 340 M CA -0.456 54.858 55.300 0.023 0.000 0.919 340 M CB 1.758 34.340 32.600 -0.029 0.000 1.662 340 M HN 0.786 nan 8.290 nan 0.000 0.440 341 F N 1.972 121.778 119.950 -0.241 0.000 2.754 341 F HA 1.024 5.551 4.527 -0.000 0.000 0.320 341 F C -1.470 174.237 175.800 -0.156 0.000 1.156 341 F CA -0.830 57.024 58.000 -0.244 0.000 0.950 341 F CB 1.072 39.912 39.000 -0.267 0.000 1.388 341 F HN 0.684 nan 8.300 nan 0.000 0.485 342 A N 0.194 122.878 122.820 -0.226 0.000 2.568 342 A HA 0.583 4.903 4.320 -0.000 0.000 0.291 342 A C -0.154 177.348 177.584 -0.138 0.000 1.159 342 A CA -0.135 51.759 52.037 -0.238 0.000 0.679 342 A CB 0.977 19.903 19.000 -0.124 0.000 1.285 342 A HN 1.770 nan 8.150 nan 0.000 0.428 343 V N -1.760 118.111 119.914 -0.071 0.000 3.623 343 V HA 0.327 4.447 4.120 -0.000 0.000 0.271 343 V C 0.338 176.328 176.094 -0.174 0.000 1.248 343 V CA 0.815 63.102 62.300 -0.020 0.000 1.156 343 V CB -1.399 30.491 31.823 0.110 0.000 0.870 343 V HN 0.632 nan 8.190 nan 0.000 0.453 344 H N 0.299 119.409 119.070 0.067 0.000 2.961 344 H HA 0.490 5.046 4.556 -0.000 0.000 0.371 344 H C -0.067 175.216 175.328 -0.074 0.000 1.190 344 H CA -0.090 55.979 56.048 0.035 0.000 1.138 344 H CB 1.886 31.674 29.762 0.043 0.000 1.816 344 H HN 0.403 nan 8.280 nan 0.000 0.551 345 N N -0.544 118.185 118.700 0.048 0.000 5.393 345 N HA -0.281 4.459 4.740 -0.000 0.000 0.330 345 N C -1.041 174.403 175.510 -0.110 0.000 0.915 345 N CA 1.346 54.288 53.050 -0.181 0.000 1.070 345 N CB -0.699 37.335 38.487 -0.755 0.000 0.848 345 N HN 0.630 nan 8.380 nan 0.000 0.486 346 W N -1.523 119.763 121.300 -0.024 0.000 2.736 346 W HA 0.840 5.500 4.660 -0.000 0.000 0.355 346 W C -2.868 173.593 176.519 -0.097 0.000 1.102 346 W CA -1.801 55.492 57.345 -0.086 0.000 1.164 346 W CB -0.339 29.064 29.460 -0.096 0.000 1.422 346 W HN 0.302 nan 8.180 nan 0.000 0.572 347 P HA 0.389 nan 4.420 nan 0.000 0.277 347 P C -1.037 176.057 177.300 -0.344 0.000 1.271 347 P CA -0.655 62.208 63.100 -0.394 0.000 0.795 347 P CB 0.639 31.742 31.700 -0.995 0.000 1.101 348 R N -0.138 120.093 120.500 -0.449 0.000 2.510 348 R HA 0.378 4.718 4.340 -0.000 0.000 0.294 348 R C -1.002 175.230 176.300 -0.112 0.000 1.056 348 R CA -0.414 55.635 56.100 -0.085 0.000 0.918 348 R CB 1.616 31.905 30.300 -0.017 0.000 1.187 348 R HN 0.554 nan 8.270 nan 0.000 0.437 349 W N 1.418 122.762 121.300 0.073 0.000 2.516 349 W HA 0.577 5.237 4.660 -0.000 0.000 0.343 349 W C 0.470 177.022 176.519 0.054 0.000 1.094 349 W CA -0.351 57.025 57.345 0.052 0.000 1.250 349 W CB 2.214 31.696 29.460 0.037 0.000 1.308 349 W HN 0.853 nan 8.180 nan 0.000 0.588 350 G N 1.815 110.778 108.800 0.271 0.000 3.355 350 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.686 350 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.686 350 G C 0.077 175.050 174.900 0.122 0.000 1.097 350 G CA -0.191 45.015 45.100 0.176 0.000 0.881 350 G HN 0.629 nan 8.290 nan 0.000 0.550 351 N N 1.258 120.018 118.700 0.101 0.000 2.069 351 N HA -0.029 4.711 4.740 -0.000 0.000 0.191 351 N C 2.736 178.280 175.510 0.056 0.000 1.031 351 N CA 3.195 56.291 53.050 0.077 0.000 0.852 351 N CB -0.121 38.409 38.487 0.071 0.000 1.018 351 N HN 1.264 nan 8.380 nan 0.000 0.423 352 A N 0.090 122.945 122.820 0.059 0.000 1.908 352 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 352 A C 2.159 179.776 177.584 0.054 0.000 1.181 352 A CA 1.946 54.012 52.037 0.049 0.000 0.627 352 A CB -0.870 18.162 19.000 0.052 0.000 0.818 352 A HN 0.522 nan 8.150 nan 0.000 0.445 353 E N 0.308 120.553 120.200 0.075 0.000 2.072 353 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 353 E C 1.685 178.307 176.600 0.038 0.000 0.985 353 E CA 1.472 57.922 56.400 0.082 0.000 0.801 353 E CB -0.422 29.351 29.700 0.123 0.000 0.750 353 E HN 0.633 nan 8.360 nan 0.000 0.452 354 I N -0.310 120.277 120.570 0.029 0.000 2.163 354 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 354 I C 2.277 178.382 176.117 -0.021 0.000 1.085 354 I CA 0.921 62.217 61.300 -0.007 0.000 1.347 354 I CB -0.305 37.706 38.000 0.017 0.000 1.044 354 I HN 0.051 nan 8.210 nan 0.000 0.408 355 V N 0.689 120.599 119.914 -0.007 0.000 2.332 355 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 355 V C 2.502 178.587 176.094 -0.016 0.000 1.055 355 V CA 2.250 64.534 62.300 -0.026 0.000 1.038 355 V CB -0.620 31.187 31.823 -0.026 0.000 0.651 355 V HN 0.500 nan 8.190 nan 0.000 0.450 356 E N -0.060 120.147 120.200 0.011 0.000 2.051 356 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 356 E C 2.188 178.810 176.600 0.038 0.000 0.991 356 E CA 1.658 58.080 56.400 0.038 0.000 0.799 356 E CB -0.015 29.729 29.700 0.074 0.000 0.748 356 E HN 0.420 nan 8.360 nan 0.000 0.449 357 V N 1.461 121.350 119.914 -0.042 0.000 2.343 357 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 357 V C 2.483 178.507 176.094 -0.116 0.000 1.051 357 V CA 1.540 63.699 62.300 -0.236 0.000 1.036 357 V CB -0.507 31.009 31.823 -0.512 0.000 0.654 357 V HN 0.343 nan 8.190 nan 0.000 0.451 358 L N -0.306 120.878 121.223 -0.066 0.000 2.017 358 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 358 L C 2.641 179.524 176.870 0.021 0.000 1.073 358 L CA 1.844 56.675 54.840 -0.015 0.000 0.745 358 L CB -0.676 41.368 42.059 -0.025 0.000 0.894 358 L HN 0.397 nan 8.230 nan 0.000 0.432 359 E N 0.085 120.291 120.200 0.011 0.000 2.051 359 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 359 E C 2.213 178.848 176.600 0.059 0.000 0.991 359 E CA 1.123 57.541 56.400 0.029 0.000 0.799 359 E CB -0.022 29.688 29.700 0.016 0.000 0.748 359 E HN 0.417 nan 8.360 nan 0.000 0.449 360 K N 0.493 120.940 120.400 0.079 0.000 2.097 360 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 360 K C 2.292 178.950 176.600 0.098 0.000 1.050 360 K CA 0.802 57.149 56.287 0.099 0.000 0.938 360 K CB 0.024 32.633 32.500 0.183 0.000 0.718 360 K HN 0.111 nan 8.250 nan 0.000 0.442 361 Q N 0.442 120.321 119.800 0.132 0.000 2.119 361 Q HA -0.141 4.199 4.340 -0.000 0.000 0.201 361 Q C 2.204 178.331 176.000 0.213 0.000 0.972 361 Q CA 0.996 56.889 55.803 0.150 0.000 0.847 361 Q CB -0.121 28.732 28.738 0.193 0.000 0.903 361 Q HN 0.293 nan 8.270 nan 0.000 0.433 362 R N 0.985 121.597 120.500 0.186 0.000 2.080 362 R HA -0.172 4.168 4.340 -0.000 0.000 0.236 362 R C 1.142 177.535 176.300 0.155 0.000 1.137 362 R CA 1.900 58.114 56.100 0.190 0.000 0.943 362 R CB -0.013 30.365 30.300 0.130 0.000 0.846 362 R HN 0.152 nan 8.270 nan 0.000 0.431 363 D N 0.668 121.128 120.400 0.100 0.000 2.224 363 D HA -0.118 4.522 4.640 -0.000 0.000 0.205 363 D C 1.866 178.204 176.300 0.063 0.000 0.965 363 D CA 0.500 54.551 54.000 0.085 0.000 0.852 363 D CB -0.136 40.699 40.800 0.058 0.000 0.947 363 D HN 0.199 nan 8.370 nan 0.000 0.494 364 L N 0.208 121.413 121.223 -0.030 0.000 1.976 364 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 364 L C 2.078 178.817 176.870 -0.218 0.000 1.071 364 L CA 1.743 56.469 54.840 -0.191 0.000 0.746 364 L CB -0.981 40.857 42.059 -0.367 0.000 0.890 364 L HN -0.010 nan 8.230 nan 0.000 0.432 365 Y N -0.081 120.184 120.300 -0.057 0.000 2.181 365 Y HA -0.096 4.454 4.550 -0.000 0.000 0.288 365 Y C 2.501 178.427 175.900 0.044 0.000 1.146 365 Y CA 1.289 59.338 58.100 -0.085 0.000 1.164 365 Y CB -1.173 37.144 38.460 -0.238 0.000 0.982 365 Y HN 0.319 nan 8.280 nan 0.000 0.515 366 G N -0.895 108.024 108.800 0.198 0.000 2.446 366 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.217 366 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.217 366 G C 1.525 176.528 174.900 0.170 0.000 1.168 366 G CA 1.105 46.302 45.100 0.162 0.000 0.771 366 G HN 0.482 nan 8.290 nan 0.000 0.551 367 Y N 0.960 121.278 120.300 0.031 0.000 2.145 367 Y HA -0.029 4.521 4.550 -0.000 0.000 0.286 367 Y C 2.699 178.603 175.900 0.007 0.000 1.145 367 Y CA 1.375 59.474 58.100 -0.001 0.000 1.148 367 Y CB -0.217 38.213 38.460 -0.050 0.000 0.981 367 Y HN 0.100 nan 8.280 nan 0.000 0.507 368 L N -0.542 120.801 121.223 0.201 0.000 2.013 368 L HA -0.335 4.005 4.340 -0.000 0.000 0.212 368 L C 2.734 179.641 176.870 0.062 0.000 1.073 368 L CA 1.888 56.795 54.840 0.113 0.000 0.753 368 L CB -0.928 41.173 42.059 0.070 0.000 0.890 368 L HN 0.451 nan 8.230 nan 0.000 0.432 369 H N 0.300 119.390 119.070 0.034 0.000 2.270 369 H HA -0.183 4.372 4.556 -0.000 0.000 0.299 369 H C 1.725 177.020 175.328 -0.054 0.000 1.077 369 H CA 2.251 58.324 56.048 0.042 0.000 1.294 369 H CB 0.100 29.920 29.762 0.096 0.000 1.371 369 H HN 0.301 nan 8.280 nan 0.000 0.491 370 D N 0.362 120.782 120.400 0.034 0.000 2.117 370 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 370 D C 2.435 178.611 176.300 -0.207 0.000 0.982 370 D CA 0.776 54.736 54.000 -0.066 0.000 0.828 370 D CB -0.140 40.647 40.800 -0.021 0.000 0.967 370 D HN 0.380 nan 8.370 nan 0.000 0.464 371 Q N -0.106 119.474 119.800 -0.365 0.000 2.245 371 Q HA 0.004 4.344 4.340 -0.000 0.000 0.201 371 Q C 2.089 177.977 176.000 -0.187 0.000 0.955 371 Q CA 0.761 56.325 55.803 -0.398 0.000 0.870 371 Q CB -0.496 27.726 28.738 -0.859 0.000 0.945 371 Q HN 0.276 nan 8.270 nan 0.000 0.461 372 T N 1.471 115.928 114.554 -0.161 0.000 2.746 372 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 372 T C 1.701 176.330 174.700 -0.118 0.000 1.039 372 T CA 0.707 62.751 62.100 -0.094 0.000 1.142 372 T CB -0.028 68.803 68.868 -0.061 0.000 0.866 372 T HN 0.052 nan 8.240 nan 0.000 0.444 373 L N 0.425 121.524 121.223 -0.206 0.000 2.179 373 L HA 0.039 4.379 4.340 -0.000 0.000 0.208 373 L C 2.247 179.033 176.870 -0.141 0.000 1.096 373 L CA 1.423 56.119 54.840 -0.240 0.000 0.779 373 L CB -1.114 40.692 42.059 -0.422 0.000 0.922 373 L HN 0.409 nan 8.230 nan 0.000 0.443 374 H N -0.298 118.659 119.070 -0.188 0.000 2.293 374 H HA -0.120 4.436 4.556 -0.000 0.000 0.300 374 H C 2.251 177.512 175.328 -0.112 0.000 1.082 374 H CA 1.816 57.779 56.048 -0.143 0.000 1.308 374 H CB 0.156 29.827 29.762 -0.152 0.000 1.375 374 H HN 0.218 nan 8.280 nan 0.000 0.495 375 L N 0.246 121.502 121.223 0.055 0.000 2.012 375 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 375 L C 3.123 179.962 176.870 -0.052 0.000 1.073 375 L CA 1.151 55.997 54.840 0.011 0.000 0.748 375 L CB -0.615 41.452 42.059 0.014 0.000 0.891 375 L HN 0.288 nan 8.230 nan 0.000 0.431 376 A N 0.249 123.029 122.820 -0.068 0.000 1.902 376 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 376 A C 1.927 179.452 177.584 -0.098 0.000 1.181 376 A CA 2.223 54.215 52.037 -0.075 0.000 0.623 376 A CB -0.848 18.105 19.000 -0.077 0.000 0.818 376 A HN 0.539 nan 8.150 nan 0.000 0.443 377 N N -0.530 118.089 118.700 -0.135 0.000 2.512 377 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 377 N C 1.490 176.912 175.510 -0.147 0.000 1.073 377 N CA 0.749 53.710 53.050 -0.148 0.000 0.911 377 N CB -0.055 38.320 38.487 -0.186 0.000 0.964 377 N HN 0.632 nan 8.380 nan 0.000 0.447 378 Q N -0.737 118.976 119.800 -0.145 0.000 2.403 378 Q HA 0.166 4.506 4.340 -0.000 0.000 0.203 378 Q C 0.828 176.782 176.000 -0.076 0.000 0.932 378 Q CA 0.330 56.065 55.803 -0.114 0.000 0.945 378 Q CB 0.815 29.492 28.738 -0.101 0.000 1.045 378 Q HN 0.426 nan 8.270 nan 0.000 0.511 379 G N 0.362 109.118 108.800 -0.074 0.000 2.179 379 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 379 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 379 G C 0.123 174.992 174.900 -0.052 0.000 0.990 379 G CA -0.196 44.867 45.100 -0.062 0.000 0.646 379 G HN 0.183 nan 8.290 nan 0.000 0.517 380 V N 2.677 122.564 119.914 -0.044 0.000 2.521 380 V HA 0.512 4.632 4.120 -0.000 0.000 0.286 380 V C 1.361 177.441 176.094 -0.024 0.000 1.034 380 V CA 0.612 62.895 62.300 -0.028 0.000 1.045 380 V CB 0.904 32.717 31.823 -0.016 0.000 0.974 380 V HN 0.740 nan 8.190 nan 0.000 0.480 381 T N 2.137 116.681 114.554 -0.016 0.000 2.862 381 T HA 0.399 4.749 4.350 -0.000 0.000 0.276 381 T C 1.268 175.987 174.700 0.032 0.000 0.974 381 T CA -0.465 61.625 62.100 -0.017 0.000 0.966 381 T CB 1.076 69.923 68.868 -0.035 0.000 1.072 381 T HN 0.448 nan 8.240 nan 0.000 0.538 382 I N 0.380 120.967 120.570 0.029 0.000 2.567 382 I HA 0.049 4.219 4.170 -0.000 0.000 0.257 382 I C 2.073 178.269 176.117 0.133 0.000 1.184 382 I CA 1.407 62.750 61.300 0.072 0.000 1.451 382 I CB -0.621 37.406 38.000 0.045 0.000 1.089 382 I HN 0.915 nan 8.210 nan 0.000 0.441 383 G N -0.616 108.254 108.800 0.118 0.000 2.880 383 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.209 383 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.209 383 G C 1.279 176.314 174.900 0.226 0.000 1.157 383 G CA 0.093 45.300 45.100 0.178 0.000 0.779 383 G HN 0.459 nan 8.290 nan 0.000 0.539 384 Q N -1.149 118.735 119.800 0.139 0.000 2.404 384 Q HA 0.206 4.546 4.340 -0.000 0.000 0.262 384 Q C 2.241 178.216 176.000 -0.042 0.000 0.846 384 Q CA -0.082 55.721 55.803 -0.001 0.000 0.978 384 Q CB 0.351 29.084 28.738 -0.008 0.000 1.156 384 Q HN 0.182 nan 8.270 nan 0.000 0.548 385 V N 2.993 122.970 119.914 0.106 0.000 2.392 385 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 385 V C 2.341 178.494 176.094 0.099 0.000 1.059 385 V CA 2.478 64.832 62.300 0.090 0.000 1.051 385 V CB -0.460 31.426 31.823 0.104 0.000 0.658 385 V HN 0.565 nan 8.190 nan 0.000 0.455 386 H N -0.398 118.722 119.070 0.085 0.000 2.489 386 H HA -0.047 4.509 4.556 -0.000 0.000 0.293 386 H C 1.565 176.950 175.328 0.095 0.000 1.066 386 H CA 1.451 57.564 56.048 0.109 0.000 1.305 386 H CB -0.755 29.111 29.762 0.174 0.000 1.386 386 H HN 0.491 nan 8.280 nan 0.000 0.551 387 N N 0.679 119.149 118.700 -0.384 0.000 2.398 387 N HA 0.014 4.754 4.740 -0.000 0.000 0.188 387 N C 1.392 176.847 175.510 -0.093 0.000 1.122 387 N CA 0.105 53.021 53.050 -0.222 0.000 0.866 387 N CB 0.381 38.701 38.487 -0.278 0.000 0.970 387 N HN 0.411 nan 8.380 nan 0.000 0.462 388 R N -0.051 120.415 120.500 -0.057 0.000 2.225 388 R HA 0.229 4.569 4.340 -0.000 0.000 0.194 388 R C 0.743 177.050 176.300 0.012 0.000 0.949 388 R CA -0.232 55.857 56.100 -0.018 0.000 1.088 388 R CB 0.132 30.424 30.300 -0.013 0.000 1.106 388 R HN 0.104 nan 8.270 nan 0.000 0.566 389 L N 2.991 124.234 121.223 0.033 0.000 2.331 389 L HA 0.243 4.583 4.340 -0.000 0.000 0.278 389 L C -0.652 176.257 176.870 0.065 0.000 1.106 389 L CA -0.177 54.701 54.840 0.063 0.000 0.824 389 L CB 0.435 42.538 42.059 0.075 0.000 1.142 389 L HN -0.109 nan 8.230 nan 0.000 0.443 390 R N 5.673 126.223 120.500 0.083 0.000 2.621 390 R HA 0.457 4.797 4.340 -0.000 0.000 0.284 390 R C -1.064 175.222 176.300 -0.024 0.000 0.998 390 R CA -0.861 55.248 56.100 0.015 0.000 0.895 390 R CB 1.749 32.038 30.300 -0.018 0.000 1.195 390 R HN 0.686 nan 8.270 nan 0.000 0.450 391 L N 4.400 125.525 121.223 -0.164 0.000 2.485 391 L HA 0.185 4.525 4.340 -0.000 0.000 0.275 391 L C -1.464 175.177 176.870 -0.382 0.000 1.207 391 L CA -1.311 53.274 54.840 -0.425 0.000 0.855 391 L CB 0.134 41.967 42.059 -0.376 0.000 1.114 391 L HN 0.244 nan 8.230 nan 0.000 0.485 392 P HA 0.156 nan 4.420 nan 0.000 0.274 392 P C -2.326 174.819 177.300 -0.258 0.000 1.237 392 P CA -1.560 61.353 63.100 -0.311 0.000 0.793 392 P CB 0.243 31.754 31.700 -0.315 0.000 0.977 393 P HA -0.217 nan 4.420 nan 0.000 0.216 393 P C 1.826 179.014 177.300 -0.187 0.000 1.154 393 P CA 2.201 65.198 63.100 -0.171 0.000 0.865 393 P CB -0.388 31.238 31.700 -0.123 0.000 0.789 394 S N -1.472 114.127 115.700 -0.167 0.000 2.419 394 S HA -0.111 4.359 4.470 -0.000 0.000 0.233 394 S C 1.824 176.315 174.600 -0.180 0.000 1.016 394 S CA 1.147 59.260 58.200 -0.145 0.000 0.974 394 S CB -1.373 61.764 63.200 -0.105 0.000 0.786 394 S HN 0.110 nan 8.310 nan 0.000 0.492 395 L N 0.636 121.717 121.223 -0.237 0.000 2.316 395 L HA 0.185 4.525 4.340 -0.000 0.000 0.207 395 L C 2.510 179.189 176.870 -0.318 0.000 1.070 395 L CA 1.018 55.698 54.840 -0.267 0.000 0.820 395 L CB -0.579 41.291 42.059 -0.314 0.000 0.992 395 L HN 0.254 nan 8.230 nan 0.000 0.466 396 D N 0.073 120.283 120.400 -0.317 0.000 2.149 396 D HA -0.205 4.435 4.640 -0.000 0.000 0.198 396 D C 1.598 177.665 176.300 -0.387 0.000 0.990 396 D CA 1.092 54.897 54.000 -0.325 0.000 0.839 396 D CB 0.265 40.903 40.800 -0.270 0.000 0.948 396 D HN 0.086 nan 8.370 nan 0.000 0.460 397 Q N 0.476 120.054 119.800 -0.371 0.000 2.296 397 Q HA 0.157 4.497 4.340 -0.000 0.000 0.273 397 Q C -0.582 175.105 176.000 -0.522 0.000 0.900 397 Q CA 0.219 55.764 55.803 -0.431 0.000 0.993 397 Q CB 0.659 29.220 28.738 -0.296 0.000 1.132 397 Q HN 0.390 nan 8.270 nan 0.000 0.439 398 E N -1.043 118.788 120.200 -0.616 0.000 2.248 398 E HA 0.107 4.457 4.350 -0.000 0.000 0.267 398 E C 0.026 176.173 176.600 -0.755 0.000 0.877 398 E CA -0.508 55.439 56.400 -0.755 0.000 0.759 398 E CB 0.813 29.883 29.700 -1.050 0.000 1.182 398 E HN 0.152 nan 8.360 nan 0.000 0.418 399 W N 0.936 122.008 121.300 -0.380 0.000 2.363 399 W HA -0.219 4.441 4.660 -0.000 0.000 0.296 399 W C 1.916 178.394 176.519 -0.068 0.000 1.212 399 W CA 0.835 58.101 57.345 -0.133 0.000 1.260 399 W CB -0.321 29.183 29.460 0.074 0.000 1.131 399 W HN 0.668 nan 8.180 nan 0.000 0.530 400 Y N -1.618 118.839 120.300 0.262 0.000 2.616 400 Y HA 0.049 4.599 4.550 -0.000 0.000 0.296 400 Y C 1.144 177.058 175.900 0.022 0.000 1.154 400 Y CA 0.610 58.797 58.100 0.144 0.000 1.325 400 Y CB -1.166 37.343 38.460 0.082 0.000 1.007 400 Y HN -0.112 nan 8.280 nan 0.000 0.542 401 D N -0.101 120.149 120.400 -0.250 0.000 2.350 401 D HA 0.022 4.662 4.640 -0.000 0.000 0.213 401 D C 0.566 176.690 176.300 -0.293 0.000 1.031 401 D CA 0.249 54.106 54.000 -0.238 0.000 0.861 401 D CB 0.091 40.686 40.800 -0.343 0.000 0.926 401 D HN 0.130 nan 8.370 nan 0.000 0.520 402 R N 0.376 120.676 120.500 -0.334 0.000 2.641 402 R HA 0.337 4.677 4.340 -0.000 0.000 0.269 402 R C 1.054 177.017 176.300 -0.561 0.000 1.074 402 R CA -0.235 55.539 56.100 -0.543 0.000 1.133 402 R CB -0.031 29.778 30.300 -0.818 0.000 1.029 402 R HN -0.069 nan 8.270 nan 0.000 0.488 403 G N 1.864 110.359 108.800 -0.508 0.000 3.316 403 G HA2 0.081 4.041 3.960 -0.000 0.000 0.255 403 G HA3 0.081 4.041 3.960 -0.000 0.000 0.255 403 G C 0.426 175.167 174.900 -0.264 0.000 0.880 403 G CA -0.236 44.652 45.100 -0.353 0.000 1.956 403 G HN 0.613 nan 8.290 nan 0.000 0.634 404 Y N -0.970 119.329 120.300 -0.001 0.000 2.269 404 Y HA -0.005 4.545 4.550 -0.000 0.000 0.294 404 Y C 2.577 178.523 175.900 0.076 0.000 1.120 404 Y CA 1.148 59.277 58.100 0.048 0.000 1.159 404 Y CB 0.149 38.663 38.460 0.091 0.000 1.024 404 Y HN 0.533 nan 8.280 nan 0.000 0.532 405 H N -0.645 118.480 119.070 0.092 0.000 2.332 405 H HA 0.289 4.845 4.556 -0.000 0.000 0.316 405 H C 1.263 176.615 175.328 0.040 0.000 1.069 405 H CA 0.640 56.689 56.048 0.000 0.000 1.484 405 H CB -0.473 29.202 29.762 -0.146 0.000 1.496 405 H HN 0.130 nan 8.280 nan 0.000 0.623 406 G N -0.063 108.720 108.800 -0.029 0.000 2.562 406 G HA2 0.424 4.384 3.960 -0.000 0.000 0.275 406 G HA3 0.424 4.384 3.960 -0.000 0.000 0.275 406 G C -0.722 174.049 174.900 -0.216 0.000 1.196 406 G CA 0.081 45.125 45.100 -0.094 0.000 0.908 406 G HN 0.580 nan 8.290 nan 0.000 0.524 407 S N -1.164 114.221 115.700 -0.524 0.000 2.568 407 S HA 0.396 4.866 4.470 -0.000 0.000 0.293 407 S C 0.911 175.289 174.600 -0.369 0.000 1.089 407 S CA -0.562 57.378 58.200 -0.433 0.000 0.945 407 S CB 1.827 64.730 63.200 -0.495 0.000 1.077 407 S HN 0.368 nan 8.310 nan 0.000 0.485 408 V N 2.025 121.785 119.914 -0.257 0.000 2.282 408 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 408 V C 2.890 178.956 176.094 -0.047 0.000 1.057 408 V CA 2.616 64.827 62.300 -0.147 0.000 1.032 408 V CB -1.112 30.637 31.823 -0.124 0.000 0.645 408 V HN 1.045 nan 8.190 nan 0.000 0.447 409 S N -0.112 115.588 115.700 -0.001 0.000 2.351 409 S HA -0.282 4.188 4.470 -0.000 0.000 0.220 409 S C 2.123 176.896 174.600 0.289 0.000 1.035 409 S CA 2.168 60.503 58.200 0.226 0.000 1.031 409 S CB -0.550 62.873 63.200 0.372 0.000 0.928 409 S HN 0.900 nan 8.310 nan 0.000 0.433 410 H N -0.784 118.483 119.070 0.328 0.000 2.502 410 H HA 0.183 4.739 4.556 -0.000 0.000 0.283 410 H C 1.578 177.062 175.328 0.261 0.000 1.015 410 H CA 0.998 57.240 56.048 0.324 0.000 1.298 410 H CB -0.452 29.577 29.762 0.446 0.000 1.411 410 H HN 0.339 nan 8.280 nan 0.000 0.556 411 N N 1.431 120.099 118.700 -0.052 0.000 2.270 411 N HA -0.004 4.735 4.740 -0.000 0.000 0.181 411 N C 2.158 177.731 175.510 0.106 0.000 1.016 411 N CA 1.383 54.452 53.050 0.032 0.000 0.870 411 N CB -0.262 38.175 38.487 -0.084 0.000 0.979 411 N HN 0.516 nan 8.380 nan 0.000 0.431 412 A N 1.166 124.045 122.820 0.098 0.000 1.898 412 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 412 A C 2.206 179.864 177.584 0.123 0.000 1.181 412 A CA 0.994 53.094 52.037 0.105 0.000 0.620 412 A CB -0.317 18.749 19.000 0.111 0.000 0.819 412 A HN 0.186 nan 8.150 nan 0.000 0.442 413 R N -0.526 120.065 120.500 0.150 0.000 2.120 413 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 413 R C 2.424 178.778 176.300 0.090 0.000 1.123 413 R CA 1.065 57.238 56.100 0.120 0.000 0.975 413 R CB -0.390 29.967 30.300 0.095 0.000 0.866 413 R HN 0.522 nan 8.270 nan 0.000 0.446 414 A N 0.594 123.491 122.820 0.129 0.000 1.873 414 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 414 A C 2.319 179.965 177.584 0.104 0.000 1.186 414 A CA 1.269 53.361 52.037 0.092 0.000 0.616 414 A CB -0.508 18.632 19.000 0.233 0.000 0.823 414 A HN 0.101 nan 8.150 nan 0.000 0.442 415 V N -0.155 119.848 119.914 0.149 0.000 2.287 415 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 415 V C 2.519 178.741 176.094 0.213 0.000 1.053 415 V CA 2.040 64.460 62.300 0.200 0.000 1.027 415 V CB -0.787 31.129 31.823 0.154 0.000 0.646 415 V HN 0.607 nan 8.190 nan 0.000 0.447 416 L N 0.289 121.588 121.223 0.127 0.000 2.042 416 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 416 L C 2.447 179.373 176.870 0.093 0.000 1.076 416 L CA 2.148 57.050 54.840 0.104 0.000 0.749 416 L CB -0.432 41.663 42.059 0.060 0.000 0.893 416 L HN 0.435 nan 8.230 nan 0.000 0.432 417 N N 0.164 118.894 118.700 0.051 0.000 2.166 417 N HA -0.263 4.477 4.740 -0.000 0.000 0.186 417 N C 1.969 177.477 175.510 -0.002 0.000 1.019 417 N CA 1.484 54.541 53.050 0.011 0.000 0.856 417 N CB -0.145 38.312 38.487 -0.050 0.000 0.993 417 N HN 0.219 nan 8.380 nan 0.000 0.426 418 R N -1.261 119.232 120.500 -0.012 0.000 2.091 418 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 418 R C 1.502 177.670 176.300 -0.221 0.000 1.136 418 R CA 1.614 57.638 56.100 -0.127 0.000 0.959 418 R CB -0.310 29.884 30.300 -0.178 0.000 0.856 418 R HN 0.363 nan 8.270 nan 0.000 0.437 419 Y N -0.737 119.568 120.300 0.008 0.000 2.397 419 Y HA 0.099 4.649 4.550 -0.000 0.000 0.292 419 Y C 1.771 177.662 175.900 -0.015 0.000 1.115 419 Y CA 0.657 58.756 58.100 -0.000 0.000 1.208 419 Y CB 0.463 38.911 38.460 -0.020 0.000 1.046 419 Y HN 0.010 nan 8.280 nan 0.000 0.552 420 L N -1.894 119.396 121.223 0.112 0.000 2.749 420 L HA 0.431 4.771 4.340 -0.000 0.000 0.242 420 L C 0.894 177.750 176.870 -0.022 0.000 1.103 420 L CA 0.322 55.183 54.840 0.035 0.000 0.906 420 L CB 0.387 42.454 42.059 0.014 0.000 1.228 420 L HN 0.270 nan 8.230 nan 0.000 0.517 421 G N 0.409 109.199 108.800 -0.017 0.000 2.660 421 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.247 421 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.247 421 G C -0.043 174.831 174.900 -0.044 0.000 1.328 421 G CA 0.128 45.200 45.100 -0.046 0.000 0.884 421 G HN 0.230 nan 8.290 nan 0.000 0.531 422 Y N -1.643 118.684 120.300 0.045 0.000 2.519 422 Y HA 0.486 5.036 4.550 -0.000 0.000 0.287 422 Y C 1.148 177.111 175.900 0.105 0.000 1.128 422 Y CA 0.482 58.608 58.100 0.043 0.000 1.282 422 Y CB -0.174 38.301 38.460 0.024 0.000 1.027 422 Y HN 0.830 nan 8.280 nan 0.000 0.551 423 Y N 4.319 124.337 120.300 -0.470 0.000 2.327 423 Y HA 0.235 4.785 4.550 -0.000 0.000 0.336 423 Y C 0.929 176.756 175.900 -0.120 0.000 1.035 423 Y CA -2.273 55.665 58.100 -0.270 0.000 1.165 423 Y CB 0.681 38.861 38.460 -0.466 0.000 1.181 423 Y HN 0.292 nan 8.280 nan 0.000 0.494 424 D N 3.098 123.266 120.400 -0.387 0.000 2.371 424 D HA 0.048 4.688 4.640 -0.000 0.000 0.234 424 D C 1.635 177.551 176.300 -0.641 0.000 1.049 424 D CA 0.783 54.546 54.000 -0.395 0.000 0.907 424 D CB -0.406 40.295 40.800 -0.166 0.000 0.891 424 D HN 0.973 nan 8.370 nan 0.000 0.531 425 G N 0.368 108.329 108.800 -1.398 0.000 2.245 425 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.264 425 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.264 425 G C 0.247 174.849 174.900 -0.498 0.000 0.985 425 G CA 0.214 44.766 45.100 -0.914 0.000 0.625 425 G HN 0.642 nan 8.290 nan 0.000 0.536 426 N N 1.387 119.841 118.700 -0.409 0.000 2.437 426 N HA 0.473 5.213 4.740 -0.000 0.000 0.243 426 N C -1.109 174.487 175.510 0.143 0.000 1.041 426 N CA -2.274 50.732 53.050 -0.073 0.000 0.940 426 N CB 1.463 39.922 38.487 -0.046 0.000 1.133 426 N HN 0.027 nan 8.380 nan 0.000 0.506 427 P HA -0.067 nan 4.420 nan 0.000 0.226 427 P C 0.701 178.092 177.300 0.150 0.000 1.146 427 P CA 0.711 63.950 63.100 0.231 0.000 0.773 427 P CB 0.196 31.978 31.700 0.137 0.000 0.772 428 A N -0.298 122.591 122.820 0.116 0.000 2.024 428 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 428 A C 2.013 179.662 177.584 0.109 0.000 1.164 428 A CA 2.234 54.323 52.037 0.087 0.000 0.643 428 A CB -1.537 17.503 19.000 0.066 0.000 0.806 428 A HN 0.356 nan 8.150 nan 0.000 0.451 429 T N -3.804 110.855 114.554 0.175 0.000 3.092 429 T HA 0.260 4.610 4.350 -0.000 0.000 0.258 429 T C 1.291 176.131 174.700 0.233 0.000 1.031 429 T CA 0.467 62.684 62.100 0.195 0.000 0.925 429 T CB -0.006 68.985 68.868 0.206 0.000 1.036 429 T HN 0.128 nan 8.240 nan 0.000 0.544 430 L N 1.461 122.793 121.223 0.180 0.000 2.072 430 L HA 0.338 4.678 4.340 -0.000 0.000 0.205 430 L C 0.400 177.234 176.870 -0.060 0.000 1.079 430 L CA 1.700 56.500 54.840 -0.068 0.000 0.752 430 L CB -0.163 41.808 42.059 -0.146 0.000 0.906 430 L HN 0.212 nan 8.230 nan 0.000 0.436 431 D N 0.596 120.993 120.400 -0.005 0.000 2.607 431 D HA 0.276 4.916 4.640 -0.000 0.000 0.318 431 D C -2.398 173.907 176.300 0.008 0.000 1.212 431 D CA -1.724 52.270 54.000 -0.011 0.000 0.861 431 D CB 0.364 41.153 40.800 -0.019 0.000 1.064 431 D HN 0.228 nan 8.370 nan 0.000 0.500 432 P HA 0.261 nan 4.420 nan 0.000 0.280 432 P C 0.202 177.507 177.300 0.009 0.000 1.244 432 P CA -0.492 62.623 63.100 0.025 0.000 0.784 432 P CB 1.203 32.928 31.700 0.042 0.000 0.913 433 L N 1.467 122.695 121.223 0.009 0.000 2.514 433 L HA 0.024 4.364 4.340 -0.000 0.000 0.280 433 L C 1.167 178.043 176.870 0.010 0.000 1.223 433 L CA 0.045 54.889 54.840 0.007 0.000 0.864 433 L CB -0.281 41.782 42.059 0.006 0.000 1.118 433 L HN 0.437 nan 8.230 nan 0.000 0.494 434 S N 4.006 119.712 115.700 0.009 0.000 2.563 434 S HA 0.008 4.478 4.470 -0.000 0.000 0.284 434 S C -1.179 173.436 174.600 0.025 0.000 1.331 434 S CA -0.930 57.277 58.200 0.012 0.000 1.047 434 S CB 0.653 63.869 63.200 0.027 0.000 0.859 434 S HN 0.538 nan 8.310 nan 0.000 0.514 435 P HA -0.203 nan 4.420 nan 0.000 0.216 435 P C 1.393 178.753 177.300 0.099 0.000 1.153 435 P CA 1.219 64.271 63.100 -0.079 0.000 0.858 435 P CB 0.000 31.448 31.700 -0.420 0.000 0.789 436 E N -0.092 120.255 120.200 0.244 0.000 2.347 436 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 436 E C 0.852 177.534 176.600 0.136 0.000 1.008 436 E CA 1.059 57.618 56.400 0.266 0.000 0.852 436 E CB -0.811 29.036 29.700 0.244 0.000 0.783 436 E HN 0.221 nan 8.360 nan 0.000 0.505 437 D N 1.031 121.488 120.400 0.094 0.000 2.327 437 D HA -0.025 4.615 4.640 -0.000 0.000 0.205 437 D C 1.835 178.164 176.300 0.048 0.000 0.989 437 D CA 1.327 55.362 54.000 0.059 0.000 0.873 437 D CB 0.271 41.093 40.800 0.037 0.000 0.955 437 D HN 0.330 nan 8.370 nan 0.000 0.515 438 S N 0.050 115.791 115.700 0.067 0.000 2.503 438 S HA 0.229 4.699 4.470 -0.000 0.000 0.217 438 S C 2.082 176.765 174.600 0.138 0.000 0.999 438 S CA 0.416 58.650 58.200 0.056 0.000 0.914 438 S CB 0.289 63.542 63.200 0.089 0.000 0.782 438 S HN 0.130 nan 8.310 nan 0.000 0.520 439 A N 2.174 125.102 122.820 0.179 0.000 1.940 439 A HA 0.140 4.460 4.320 -0.000 0.000 0.219 439 A C 2.315 179.997 177.584 0.164 0.000 1.176 439 A CA 1.685 53.847 52.037 0.209 0.000 0.631 439 A CB -1.748 17.366 19.000 0.190 0.000 0.814 439 A HN 0.640 nan 8.150 nan 0.000 0.446 440 G N -0.827 108.037 108.800 0.107 0.000 2.418 440 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 440 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 440 G C 1.795 176.740 174.900 0.075 0.000 1.158 440 G CA 0.956 46.106 45.100 0.083 0.000 0.771 440 G HN 0.568 nan 8.290 nan 0.000 0.545 441 R N -1.059 119.452 120.500 0.018 0.000 2.073 441 R HA 0.033 4.373 4.340 -0.000 0.000 0.229 441 R C 2.301 178.525 176.300 -0.127 0.000 1.120 441 R CA 0.949 57.010 56.100 -0.065 0.000 0.967 441 R CB -0.486 29.678 30.300 -0.226 0.000 0.862 441 R HN 0.466 nan 8.270 nan 0.000 0.436 442 Y N 0.356 120.591 120.300 -0.107 0.000 2.069 442 Y HA -0.349 4.201 4.550 -0.000 0.000 0.278 442 Y C 2.410 178.342 175.900 0.052 0.000 1.175 442 Y CA 1.651 59.720 58.100 -0.052 0.000 1.134 442 Y CB -0.388 38.049 38.460 -0.039 0.000 0.965 442 Y HN -0.145 nan 8.280 nan 0.000 0.498 443 V N -0.135 119.906 119.914 0.212 0.000 2.295 443 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 443 V C 1.987 178.176 176.094 0.159 0.000 1.049 443 V CA 2.129 64.523 62.300 0.158 0.000 1.024 443 V CB -0.681 31.210 31.823 0.114 0.000 0.648 443 V HN 0.413 nan 8.190 nan 0.000 0.447 444 E N -0.755 119.546 120.200 0.168 0.000 2.033 444 E HA -0.263 4.087 4.350 -0.000 0.000 0.199 444 E C 2.154 178.893 176.600 0.233 0.000 1.011 444 E CA 2.138 58.647 56.400 0.183 0.000 0.815 444 E CB -0.347 29.480 29.700 0.212 0.000 0.755 444 E HN 0.719 nan 8.360 nan 0.000 0.451 445 Y N -0.217 120.108 120.300 0.041 0.000 2.315 445 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 445 Y C 2.058 177.997 175.900 0.066 0.000 1.154 445 Y CA 0.402 58.525 58.100 0.038 0.000 1.229 445 Y CB 0.061 38.530 38.460 0.016 0.000 0.980 445 Y HN 0.075 nan 8.280 nan 0.000 0.540 446 M N -0.923 118.829 119.600 0.252 0.000 2.494 446 M HA 0.198 4.678 4.480 -0.000 0.000 0.232 446 M C 1.274 177.649 176.300 0.125 0.000 1.137 446 M CA 0.846 56.257 55.300 0.186 0.000 1.012 446 M CB 0.412 33.129 32.600 0.195 0.000 1.567 446 M HN 0.383 nan 8.290 nan 0.000 0.486 447 G N 0.476 109.339 108.800 0.106 0.000 2.159 447 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.227 447 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.227 447 G C 0.368 175.307 174.900 0.065 0.000 0.986 447 G CA -0.198 44.945 45.100 0.070 0.000 0.651 447 G HN 0.936 nan 8.290 nan 0.000 0.523 448 G N -1.681 107.166 108.800 0.079 0.000 2.663 448 G HA2 0.419 4.379 3.960 -0.000 0.000 0.686 448 G HA3 0.419 4.379 3.960 -0.000 0.000 0.686 448 G C 1.011 175.947 174.900 0.060 0.000 1.288 448 G CA 0.747 45.887 45.100 0.065 0.000 0.836 448 G HN 1.852 nan 8.290 nan 0.000 0.584 449 A N -0.323 122.527 122.820 0.049 0.000 1.873 449 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 449 A C 2.178 179.782 177.584 0.032 0.000 1.193 449 A CA 2.502 54.562 52.037 0.039 0.000 0.629 449 A CB -0.491 18.526 19.000 0.029 0.000 0.826 449 A HN 0.820 nan 8.150 nan 0.000 0.447 450 E N -0.718 119.499 120.200 0.029 0.000 2.110 450 E HA -0.204 4.145 4.350 -0.000 0.000 0.193 450 E C 2.181 178.801 176.600 0.033 0.000 0.988 450 E CA 1.487 57.902 56.400 0.025 0.000 0.804 450 E CB -0.287 29.425 29.700 0.021 0.000 0.745 450 E HN 0.538 nan 8.360 nan 0.000 0.458 451 R N 1.043 121.568 120.500 0.041 0.000 2.073 451 R HA -0.008 4.332 4.340 -0.000 0.000 0.229 451 R C 2.429 178.765 176.300 0.061 0.000 1.120 451 R CA 0.781 56.911 56.100 0.050 0.000 0.967 451 R CB -0.813 29.520 30.300 0.055 0.000 0.862 451 R HN 0.216 nan 8.270 nan 0.000 0.436 452 L N -0.003 121.258 121.223 0.063 0.000 2.012 452 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 452 L C 1.994 178.893 176.870 0.049 0.000 1.073 452 L CA 1.590 56.470 54.840 0.067 0.000 0.748 452 L CB -0.291 41.803 42.059 0.059 0.000 0.891 452 L HN 0.292 nan 8.230 nan 0.000 0.431 453 L N -0.287 120.954 121.223 0.031 0.000 2.042 453 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 453 L C 2.613 179.502 176.870 0.033 0.000 1.076 453 L CA 1.681 56.532 54.840 0.018 0.000 0.749 453 L CB -0.591 41.470 42.059 0.004 0.000 0.893 453 L HN 0.413 nan 8.230 nan 0.000 0.432 454 E N -0.179 120.046 120.200 0.041 0.000 2.051 454 E HA -0.272 4.078 4.350 -0.000 0.000 0.192 454 E C 2.212 178.855 176.600 0.071 0.000 0.991 454 E CA 1.470 57.900 56.400 0.049 0.000 0.799 454 E CB 0.049 29.777 29.700 0.046 0.000 0.748 454 E HN 0.553 nan 8.360 nan 0.000 0.449 455 Q N -0.231 119.621 119.800 0.086 0.000 2.079 455 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 455 Q C 2.176 178.265 176.000 0.148 0.000 0.974 455 Q CA 1.181 57.055 55.803 0.119 0.000 0.840 455 Q CB -0.123 28.701 28.738 0.142 0.000 0.898 455 Q HN 0.276 nan 8.270 nan 0.000 0.430 456 A N 1.467 124.360 122.820 0.121 0.000 1.908 456 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 456 A C 2.013 179.682 177.584 0.142 0.000 1.181 456 A CA 1.473 53.576 52.037 0.109 0.000 0.627 456 A CB -0.448 18.562 19.000 0.018 0.000 0.818 456 A HN 0.215 nan 8.150 nan 0.000 0.445 457 R N -0.648 119.914 120.500 0.102 0.000 2.096 457 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 457 R C 2.445 178.848 176.300 0.172 0.000 1.127 457 R CA 1.178 57.347 56.100 0.115 0.000 0.968 457 R CB -0.455 29.873 30.300 0.048 0.000 0.861 457 R HN 0.530 nan 8.270 nan 0.000 0.440 458 A N 0.485 123.386 122.820 0.136 0.000 1.930 458 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 458 A C 2.183 179.839 177.584 0.119 0.000 1.175 458 A CA 1.618 53.728 52.037 0.121 0.000 0.627 458 A CB -0.318 18.739 19.000 0.094 0.000 0.815 458 A HN 0.217 nan 8.150 nan 0.000 0.443 459 S N -1.703 114.089 115.700 0.153 0.000 2.368 459 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 459 S C 1.810 176.442 174.600 0.054 0.000 1.029 459 S CA 1.354 59.637 58.200 0.137 0.000 0.988 459 S CB -0.592 62.805 63.200 0.329 0.000 0.838 459 S HN 0.693 nan 8.310 nan 0.000 0.462 460 Y N 2.372 122.694 120.300 0.037 0.000 2.165 460 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 460 Y C 2.384 178.293 175.900 0.014 0.000 1.155 460 Y CA 1.258 59.395 58.100 0.062 0.000 1.164 460 Y CB -0.579 37.961 38.460 0.133 0.000 0.978 460 Y HN 0.239 nan 8.280 nan 0.000 0.513 461 A N 0.218 123.173 122.820 0.225 0.000 2.125 461 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 461 A C 2.055 179.671 177.584 0.053 0.000 1.156 461 A CA 1.385 53.545 52.037 0.205 0.000 0.671 461 A CB -0.485 18.642 19.000 0.211 0.000 0.794 461 A HN 0.555 nan 8.150 nan 0.000 0.459 462 R N -1.521 118.857 120.500 -0.203 0.000 2.334 462 R HA 0.233 4.573 4.340 -0.000 0.000 0.216 462 R C 1.152 176.644 176.300 -1.346 0.000 0.905 462 R CA 0.482 56.316 56.100 -0.443 0.000 1.064 462 R CB 0.056 30.222 30.300 -0.225 0.000 1.046 462 R HN 0.614 nan 8.270 nan 0.000 0.508 463 G N 1.714 109.582 108.800 -1.554 0.000 2.148 463 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.254 463 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.254 463 G C -0.074 173.917 174.900 -1.515 0.000 0.981 463 G CA -0.024 43.841 45.100 -2.058 0.000 0.670 463 G HN 0.446 nan 8.290 nan 0.000 0.528 464 E N 0.393 120.050 120.200 -0.905 0.000 2.392 464 E HA 0.323 4.673 4.350 -0.000 0.000 0.307 464 E C 0.951 177.417 176.600 -0.222 0.000 1.505 464 E CA -0.607 55.548 56.400 -0.408 0.000 1.716 464 E CB -0.146 29.480 29.700 -0.123 0.000 1.450 464 E HN 0.612 nan 8.360 nan 0.000 0.484 465 Y N 0.202 120.432 120.300 -0.117 0.000 2.274 465 Y HA -0.153 4.397 4.550 -0.000 0.000 0.290 465 Y C 2.069 177.962 175.900 -0.012 0.000 1.145 465 Y CA 0.719 58.766 58.100 -0.089 0.000 1.203 465 Y CB -0.281 38.089 38.460 -0.150 0.000 0.984 465 Y HN 0.165 nan 8.280 nan 0.000 0.533 466 R N -0.780 119.811 120.500 0.152 0.000 2.115 466 R HA -0.194 4.146 4.340 -0.000 0.000 0.230 466 R C 2.257 178.671 176.300 0.189 0.000 1.111 466 R CA 1.474 57.671 56.100 0.162 0.000 0.976 466 R CB -0.680 29.722 30.300 0.171 0.000 0.870 466 R HN 0.574 nan 8.270 nan 0.000 0.445 467 W N 1.031 122.338 121.300 0.011 0.000 2.408 467 W HA -0.159 4.501 4.660 -0.000 0.000 0.311 467 W C 1.488 178.021 176.519 0.023 0.000 1.190 467 W CA 1.028 58.375 57.345 0.003 0.000 1.321 467 W CB -0.229 29.215 29.460 -0.026 0.000 1.143 467 W HN -0.155 nan 8.180 nan 0.000 0.501 468 V N 2.243 122.056 119.914 -0.169 0.000 2.282 468 V HA -0.363 3.757 4.120 -0.000 0.000 0.249 468 V C 2.540 178.491 176.094 -0.238 0.000 1.057 468 V CA 2.653 64.796 62.300 -0.260 0.000 1.032 468 V CB -1.530 30.347 31.823 0.090 0.000 0.645 468 V HN 0.322 nan 8.190 nan 0.000 0.447 469 V N -1.411 118.451 119.914 -0.088 0.000 2.626 469 V HA -0.227 3.893 4.120 -0.000 0.000 0.252 469 V C 2.183 178.195 176.094 -0.138 0.000 1.067 469 V CA 2.307 64.571 62.300 -0.059 0.000 1.081 469 V CB -0.684 31.163 31.823 0.041 0.000 0.686 469 V HN 0.666 nan 8.190 nan 0.000 0.468 470 E N 0.216 120.287 120.200 -0.215 0.000 2.028 470 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 470 E C 2.183 178.518 176.600 -0.441 0.000 0.988 470 E CA 1.686 57.922 56.400 -0.274 0.000 0.799 470 E CB 0.029 29.619 29.700 -0.183 0.000 0.755 470 E HN 0.453 nan 8.360 nan 0.000 0.447 471 V N 0.018 119.494 119.914 -0.730 0.000 2.488 471 V HA -0.119 4.001 4.120 -0.000 0.000 0.246 471 V C 2.108 177.975 176.094 -0.378 0.000 1.046 471 V CA 1.118 62.996 62.300 -0.702 0.000 1.053 471 V CB 0.338 31.494 31.823 -1.112 0.000 0.679 471 V HN 0.211 nan 8.190 nan 0.000 0.458 472 V N 0.867 120.598 119.914 -0.305 0.000 2.548 472 V HA -0.174 3.946 4.120 -0.000 0.000 0.249 472 V C 2.319 178.363 176.094 -0.084 0.000 1.055 472 V CA 2.066 64.276 62.300 -0.150 0.000 1.065 472 V CB -1.193 30.566 31.823 -0.107 0.000 0.681 472 V HN 0.712 nan 8.190 nan 0.000 0.462 473 N N 0.745 119.384 118.700 -0.101 0.000 2.137 473 N HA -0.224 4.516 4.740 -0.000 0.000 0.190 473 N C 1.953 177.462 175.510 -0.003 0.000 1.017 473 N CA 1.442 54.478 53.050 -0.024 0.000 0.859 473 N CB -0.106 38.320 38.487 -0.102 0.000 1.002 473 N HN 0.282 nan 8.380 nan 0.000 0.428 474 R N 0.048 120.469 120.500 -0.132 0.000 2.083 474 R HA -0.130 4.210 4.340 -0.000 0.000 0.237 474 R C 2.013 178.340 176.300 0.045 0.000 1.137 474 R CA 0.912 56.953 56.100 -0.099 0.000 0.951 474 R CB -1.387 28.780 30.300 -0.222 0.000 0.851 474 R HN 0.360 nan 8.270 nan 0.000 0.434 475 L N 0.865 122.100 121.223 0.021 0.000 2.109 475 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 475 L C 2.183 179.093 176.870 0.066 0.000 1.086 475 L CA 1.285 56.151 54.840 0.044 0.000 0.760 475 L CB -0.359 41.709 42.059 0.014 0.000 0.910 475 L HN -0.141 nan 8.230 nan 0.000 0.437 476 V N -0.614 119.351 119.914 0.085 0.000 2.343 476 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 476 V C 2.333 178.477 176.094 0.083 0.000 1.051 476 V CA 1.923 64.272 62.300 0.081 0.000 1.036 476 V CB -0.847 31.037 31.823 0.102 0.000 0.654 476 V HN 0.329 nan 8.190 nan 0.000 0.451 477 F N 0.603 120.542 119.950 -0.019 0.000 2.293 477 F HA 0.002 4.529 4.527 -0.000 0.000 0.300 477 F C 2.316 178.119 175.800 0.005 0.000 1.086 477 F CA 0.989 58.985 58.000 -0.007 0.000 1.375 477 F CB -0.771 38.222 39.000 -0.012 0.000 1.045 477 F HN 0.087 nan 8.300 nan 0.000 0.516 478 A N -0.565 122.351 122.820 0.159 0.000 1.898 478 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 478 A C 0.812 178.424 177.584 0.045 0.000 1.183 478 A CA 1.013 53.108 52.037 0.096 0.000 0.622 478 A CB -0.312 18.744 19.000 0.093 0.000 0.824 478 A HN 0.351 nan 8.150 nan 0.000 0.444 479 E N -0.597 119.620 120.200 0.028 0.000 3.386 479 E HA 0.164 4.514 4.350 -0.000 0.000 0.236 479 E C -2.318 174.268 176.600 -0.022 0.000 1.227 479 E CA -1.690 54.712 56.400 0.003 0.000 0.970 479 E CB 1.352 31.059 29.700 0.012 0.000 1.343 479 E HN 0.286 nan 8.360 nan 0.000 0.397 480 P HA -0.165 nan 4.420 nan 0.000 0.230 480 P C 0.556 177.820 177.300 -0.060 0.000 1.158 480 P CA 1.057 64.104 63.100 -0.088 0.000 0.769 480 P CB 0.242 31.856 31.700 -0.144 0.000 0.807 481 D N -2.373 118.003 120.400 -0.042 0.000 2.339 481 D HA -0.051 4.589 4.640 -0.000 0.000 0.217 481 D C 0.391 176.674 176.300 -0.028 0.000 1.050 481 D CA -0.065 53.915 54.000 -0.032 0.000 0.856 481 D CB -0.807 39.979 40.800 -0.024 0.000 0.922 481 D HN 0.004 nan 8.370 nan 0.000 0.518 482 N N 2.122 120.807 118.700 -0.025 0.000 2.421 482 N HA -0.032 4.708 4.740 -0.000 0.000 0.260 482 N C 1.123 176.615 175.510 -0.031 0.000 1.173 482 N CA -0.102 52.935 53.050 -0.022 0.000 0.960 482 N CB 0.740 39.219 38.487 -0.012 0.000 1.273 482 N HN 0.169 nan 8.380 nan 0.000 0.497 483 R N 3.641 124.121 120.500 -0.034 0.000 2.083 483 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 483 R C 1.530 177.799 176.300 -0.051 0.000 1.137 483 R CA 1.818 57.891 56.100 -0.045 0.000 0.951 483 R CB -0.271 30.003 30.300 -0.043 0.000 0.851 483 R HN 0.571 nan 8.270 nan 0.000 0.434 484 A N 0.794 123.588 122.820 -0.044 0.000 1.908 484 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 484 A C 2.389 179.941 177.584 -0.054 0.000 1.181 484 A CA 1.900 53.908 52.037 -0.049 0.000 0.627 484 A CB -0.761 18.217 19.000 -0.036 0.000 0.818 484 A HN 0.599 nan 8.150 nan 0.000 0.445 485 A N -0.180 122.616 122.820 -0.040 0.000 1.873 485 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 485 A C 2.227 179.785 177.584 -0.043 0.000 1.186 485 A CA 1.473 53.488 52.037 -0.037 0.000 0.616 485 A CB -0.491 18.498 19.000 -0.019 0.000 0.823 485 A HN 0.555 nan 8.150 nan 0.000 0.442 486 R N -0.338 120.135 120.500 -0.045 0.000 2.091 486 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 486 R C 2.077 178.333 176.300 -0.074 0.000 1.136 486 R CA 1.446 57.515 56.100 -0.051 0.000 0.959 486 R CB -0.338 29.926 30.300 -0.060 0.000 0.856 486 R HN 0.507 nan 8.270 nan 0.000 0.437 487 E N 0.836 120.983 120.200 -0.089 0.000 2.051 487 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 487 E C 2.040 178.565 176.600 -0.124 0.000 0.991 487 E CA 0.901 57.234 56.400 -0.111 0.000 0.799 487 E CB -0.323 29.312 29.700 -0.107 0.000 0.748 487 E HN 0.160 nan 8.360 nan 0.000 0.449 488 L N 1.434 122.582 121.223 -0.125 0.000 2.027 488 L HA -0.195 4.145 4.340 -0.000 0.000 0.206 488 L C 2.492 179.303 176.870 -0.098 0.000 1.074 488 L CA 1.831 56.572 54.840 -0.164 0.000 0.745 488 L CB -0.726 41.248 42.059 -0.143 0.000 0.898 488 L HN 0.003 nan 8.230 nan 0.000 0.433 489 Q N 0.094 119.859 119.800 -0.059 0.000 2.045 489 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 489 Q C 2.195 178.181 176.000 -0.023 0.000 0.991 489 Q CA 2.621 58.410 55.803 -0.024 0.000 0.851 489 Q CB -0.734 27.998 28.738 -0.010 0.000 0.911 489 Q HN 0.602 nan 8.270 nan 0.000 0.418 490 A N 0.425 123.215 122.820 -0.051 0.000 1.892 490 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 490 A C 1.909 179.441 177.584 -0.087 0.000 1.188 490 A CA 2.015 54.013 52.037 -0.066 0.000 0.631 490 A CB -1.018 17.921 19.000 -0.102 0.000 0.822 490 A HN 0.527 nan 8.150 nan 0.000 0.447 491 D N -0.142 120.200 120.400 -0.097 0.000 2.123 491 D HA -0.062 4.578 4.640 -0.000 0.000 0.196 491 D C 2.216 178.499 176.300 -0.030 0.000 0.992 491 D CA 1.652 55.599 54.000 -0.087 0.000 0.833 491 D CB -0.410 40.287 40.800 -0.171 0.000 0.954 491 D HN 0.445 nan 8.370 nan 0.000 0.455 492 A N 0.281 123.143 122.820 0.072 0.000 1.897 492 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 492 A C 2.375 179.852 177.584 -0.179 0.000 1.181 492 A CA 0.642 52.708 52.037 0.048 0.000 0.620 492 A CB -0.682 18.473 19.000 0.257 0.000 0.821 492 A HN 0.185 nan 8.150 nan 0.000 0.443 493 L N -0.573 120.590 121.223 -0.099 0.000 2.042 493 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 493 L C 2.635 179.359 176.870 -0.244 0.000 1.076 493 L CA 1.929 56.712 54.840 -0.095 0.000 0.749 493 L CB -0.465 41.645 42.059 0.086 0.000 0.893 493 L HN 0.614 nan 8.230 nan 0.000 0.432 494 E N -0.408 119.624 120.200 -0.280 0.000 2.077 494 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 494 E C 2.229 178.340 176.600 -0.816 0.000 0.989 494 E CA 0.982 57.090 56.400 -0.487 0.000 0.800 494 E CB 0.125 29.553 29.700 -0.453 0.000 0.746 494 E HN 0.422 nan 8.360 nan 0.000 0.452 495 Q N 0.331 119.709 119.800 -0.704 0.000 2.124 495 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 495 Q C 2.452 178.198 176.000 -0.425 0.000 0.977 495 Q CA 0.980 56.391 55.803 -0.654 0.000 0.850 495 Q CB -0.246 27.830 28.738 -1.104 0.000 0.901 495 Q HN 0.433 nan 8.270 nan 0.000 0.429 496 L N -0.293 120.632 121.223 -0.497 0.000 2.083 496 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 496 L C 2.338 178.965 176.870 -0.405 0.000 1.083 496 L CA 1.137 55.666 54.840 -0.518 0.000 0.752 496 L CB -0.819 40.637 42.059 -1.004 0.000 0.899 496 L HN 0.271 nan 8.230 nan 0.000 0.433 497 G N -0.882 107.730 108.800 -0.314 0.000 2.421 497 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.216 497 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.216 497 G C 1.310 176.339 174.900 0.215 0.000 1.171 497 G CA 0.438 45.592 45.100 0.091 0.000 0.775 497 G HN 0.198 nan 8.290 nan 0.000 0.543 498 Y N 1.029 121.359 120.300 0.050 0.000 2.165 498 Y HA -0.101 4.449 4.550 -0.000 0.000 0.286 498 Y C 3.056 179.015 175.900 0.098 0.000 1.155 498 Y CA 0.977 59.120 58.100 0.071 0.000 1.164 498 Y CB -0.886 37.596 38.460 0.036 0.000 0.978 498 Y HN 0.316 nan 8.280 nan 0.000 0.513 499 Q N -0.204 119.746 119.800 0.250 0.000 2.291 499 Q HA 0.061 4.401 4.340 -0.000 0.000 0.205 499 Q C 0.887 177.014 176.000 0.212 0.000 0.970 499 Q CA 0.532 56.459 55.803 0.206 0.000 0.876 499 Q CB -0.157 28.681 28.738 0.168 0.000 0.935 499 Q HN 0.321 nan 8.270 nan 0.000 0.455 500 A N 1.327 124.296 122.820 0.249 0.000 2.454 500 A HA -0.031 4.289 4.320 -0.000 0.000 0.260 500 A C 0.790 178.509 177.584 0.226 0.000 1.106 500 A CA -0.033 52.172 52.037 0.280 0.000 0.780 500 A CB 0.367 19.637 19.000 0.450 0.000 1.044 500 A HN 0.312 nan 8.150 nan 0.000 0.498 501 E N 2.591 122.875 120.200 0.140 0.000 2.216 501 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 501 E C 0.644 177.358 176.600 0.191 0.000 0.988 501 E CA 0.175 56.677 56.400 0.170 0.000 0.834 501 E CB 0.050 29.787 29.700 0.061 0.000 0.772 501 E HN 0.788 nan 8.360 nan 0.000 0.479 502 N N 0.030 118.762 118.700 0.054 0.000 2.458 502 N HA 0.032 4.772 4.740 -0.000 0.000 0.270 502 N C 0.450 176.084 175.510 0.207 0.000 1.102 502 N CA 0.474 53.554 53.050 0.048 0.000 0.967 502 N CB 1.583 39.888 38.487 -0.304 0.000 1.078 502 N HN 0.141 nan 8.380 nan 0.000 0.471 503 A N 3.850 126.799 122.820 0.215 0.000 1.898 503 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 503 A C 1.909 179.594 177.584 0.169 0.000 1.181 503 A CA 1.789 53.942 52.037 0.194 0.000 0.620 503 A CB -0.935 18.162 19.000 0.160 0.000 0.819 503 A HN 0.768 nan 8.150 nan 0.000 0.442 504 G N -1.634 107.253 108.800 0.145 0.000 2.402 504 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 504 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 504 G C 1.303 176.324 174.900 0.202 0.000 1.162 504 G CA 0.949 46.107 45.100 0.096 0.000 0.777 504 G HN 0.566 nan 8.290 nan 0.000 0.539 505 W N 0.698 122.003 121.300 0.009 0.000 2.354 505 W HA 0.069 4.729 4.660 -0.000 0.000 0.315 505 W C 2.769 179.369 176.519 0.134 0.000 1.206 505 W CA 0.959 58.314 57.345 0.016 0.000 1.290 505 W CB -0.738 28.812 29.460 0.151 0.000 1.152 505 W HN 0.116 nan 8.180 nan 0.000 0.489 506 R N 0.487 121.262 120.500 0.457 0.000 2.115 506 R HA -0.249 4.091 4.340 -0.000 0.000 0.239 506 R C 1.894 178.341 176.300 0.245 0.000 1.133 506 R CA 2.244 58.564 56.100 0.366 0.000 0.935 506 R CB -0.821 29.659 30.300 0.301 0.000 0.853 506 R HN 0.112 nan 8.270 nan 0.000 0.433 507 N N 0.216 119.019 118.700 0.172 0.000 2.104 507 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 507 N C 1.861 177.379 175.510 0.014 0.000 1.024 507 N CA 1.740 54.847 53.050 0.095 0.000 0.853 507 N CB -0.445 38.092 38.487 0.083 0.000 1.008 507 N HN 0.191 nan 8.380 nan 0.000 0.424 508 S N 0.337 116.034 115.700 -0.005 0.000 2.348 508 S HA -0.107 4.363 4.470 -0.000 0.000 0.221 508 S C 1.773 176.268 174.600 -0.175 0.000 1.033 508 S CA 0.889 59.023 58.200 -0.111 0.000 1.010 508 S CB -0.461 62.632 63.200 -0.178 0.000 0.891 508 S HN 0.324 nan 8.310 nan 0.000 0.442 509 Y N 1.987 122.266 120.300 -0.034 0.000 2.114 509 Y HA -0.106 4.444 4.550 -0.000 0.000 0.282 509 Y C 2.190 178.034 175.900 -0.094 0.000 1.165 509 Y CA 0.850 58.919 58.100 -0.052 0.000 1.148 509 Y CB -0.780 37.676 38.460 -0.006 0.000 0.972 509 Y HN 0.181 nan 8.280 nan 0.000 0.504 510 L N -1.543 119.737 121.223 0.095 0.000 2.141 510 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 510 L C 2.315 179.170 176.870 -0.025 0.000 1.094 510 L CA 1.327 56.189 54.840 0.036 0.000 0.763 510 L CB -0.699 41.410 42.059 0.084 0.000 0.908 510 L HN 0.097 nan 8.230 nan 0.000 0.437 511 S N 0.182 115.772 115.700 -0.183 0.000 2.387 511 S HA -0.077 4.393 4.470 -0.000 0.000 0.226 511 S C 2.262 176.590 174.600 -0.453 0.000 1.026 511 S CA 1.068 59.037 58.200 -0.384 0.000 0.972 511 S CB -0.175 62.591 63.200 -0.723 0.000 0.814 511 S HN 0.478 nan 8.310 nan 0.000 0.477 512 A N 1.704 124.232 122.820 -0.485 0.000 1.902 512 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 512 A C 2.345 179.919 177.584 -0.017 0.000 1.181 512 A CA 1.687 53.630 52.037 -0.157 0.000 0.623 512 A CB -1.058 17.954 19.000 0.021 0.000 0.818 512 A HN 0.507 nan 8.150 nan 0.000 0.443 513 A N -1.711 121.100 122.820 -0.015 0.000 1.933 513 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 513 A C 2.129 179.699 177.584 -0.022 0.000 1.175 513 A CA 1.615 53.639 52.037 -0.022 0.000 0.628 513 A CB -0.762 18.214 19.000 -0.039 0.000 0.814 513 A HN 0.700 nan 8.150 nan 0.000 0.444 514 Y N 0.797 121.048 120.300 -0.083 0.000 2.181 514 Y HA -0.178 4.372 4.550 -0.000 0.000 0.288 514 Y C 2.277 178.170 175.900 -0.011 0.000 1.146 514 Y CA 2.240 60.334 58.100 -0.010 0.000 1.164 514 Y CB -0.132 38.360 38.460 0.053 0.000 0.982 514 Y HN 0.462 nan 8.280 nan 0.000 0.515 515 E N -0.200 120.128 120.200 0.213 0.000 2.152 515 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 515 E C 2.163 178.783 176.600 0.033 0.000 0.983 515 E CA 1.073 57.576 56.400 0.172 0.000 0.818 515 E CB -0.157 29.698 29.700 0.257 0.000 0.758 515 E HN 0.488 nan 8.360 nan 0.000 0.467 516 L N 0.495 121.712 121.223 -0.011 0.000 2.093 516 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 516 L C 2.483 179.264 176.870 -0.149 0.000 1.085 516 L CA 1.108 55.915 54.840 -0.055 0.000 0.755 516 L CB -0.164 41.872 42.059 -0.039 0.000 0.904 516 L HN 0.022 nan 8.230 nan 0.000 0.435 517 R N -1.402 118.925 120.500 -0.288 0.000 2.093 517 R HA -0.046 4.294 4.340 -0.000 0.000 0.224 517 R C 1.899 177.894 176.300 -0.507 0.000 1.101 517 R CA 0.897 56.712 56.100 -0.477 0.000 0.979 517 R CB -0.101 29.741 30.300 -0.763 0.000 0.877 517 R HN 0.429 nan 8.270 nan 0.000 0.441 518 H N -1.264 117.671 119.070 -0.225 0.000 2.855 518 H HA 0.298 4.854 4.556 -0.000 0.000 0.259 518 H C 1.019 176.266 175.328 -0.136 0.000 0.972 518 H CA 0.808 56.708 56.048 -0.246 0.000 1.213 518 H CB 0.980 30.453 29.762 -0.482 0.000 1.451 518 H HN 0.332 nan 8.280 nan 0.000 0.484 519 G N 0.814 109.620 108.800 0.009 0.000 2.712 519 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.683 519 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.683 519 G C -0.596 174.343 174.900 0.066 0.000 1.320 519 G CA -0.303 44.813 45.100 0.027 0.000 0.847 519 G HN 0.170 nan 8.290 nan 0.000 0.553 520 V N 1.966 121.912 119.914 0.054 0.000 2.732 520 V HA 0.443 4.563 4.120 -0.000 0.000 0.297 520 V C -1.267 174.756 176.094 -0.118 0.000 1.060 520 V CA -0.722 61.597 62.300 0.031 0.000 1.038 520 V CB 1.249 33.139 31.823 0.112 0.000 1.003 520 V HN 0.744 nan 8.190 nan 0.000 0.481 521 P HA 0.099 nan 4.420 nan 0.000 0.261 521 P C 0.342 177.452 177.300 -0.317 0.000 1.173 521 P CA 0.343 63.141 63.100 -0.502 0.000 0.760 521 P CB 0.311 31.305 31.700 -1.175 0.000 0.783 522 R N 1.152 121.545 120.500 -0.178 0.000 2.307 522 R HA 0.066 4.406 4.340 -0.000 0.000 0.200 522 R C 0.284 176.552 176.300 -0.053 0.000 0.893 522 R CA 0.133 56.186 56.100 -0.078 0.000 1.042 522 R CB 0.052 30.326 30.300 -0.044 0.000 1.059 522 R HN 0.608 nan 8.270 nan 0.000 0.530 531 S N 0.304 115.989 115.700 -0.025 0.000 2.448 531 S HA 0.509 4.979 4.470 -0.000 0.000 0.279 531 S C 1.720 176.311 174.600 -0.015 0.000 1.195 531 S CA 0.688 58.882 58.200 -0.010 0.000 1.051 531 S CB 0.855 64.059 63.200 0.007 0.000 0.948 531 S HN 1.782 nan 8.310 nan 0.000 0.493 532 A N 4.975 127.789 122.820 -0.011 0.000 1.892 532 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 532 A C 1.826 179.403 177.584 -0.012 0.000 1.188 532 A CA 2.149 54.178 52.037 -0.013 0.000 0.631 532 A CB -0.922 18.075 19.000 -0.006 0.000 0.822 532 A HN 0.845 nan 8.150 nan 0.000 0.447 533 D N -0.141 120.260 120.400 0.001 0.000 2.123 533 D HA -0.071 4.569 4.640 -0.000 0.000 0.196 533 D C 2.221 178.508 176.300 -0.022 0.000 0.992 533 D CA 1.633 55.633 54.000 0.000 0.000 0.833 533 D CB -0.445 40.370 40.800 0.026 0.000 0.954 533 D HN 0.456 nan 8.370 nan 0.000 0.455 534 A N 0.497 123.308 122.820 -0.014 0.000 1.873 534 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 534 A C 2.134 179.681 177.584 -0.060 0.000 1.186 534 A CA 0.909 52.926 52.037 -0.034 0.000 0.616 534 A CB -0.722 18.275 19.000 -0.006 0.000 0.823 534 A HN 0.241 nan 8.150 nan 0.000 0.442 535 L N 0.020 121.210 121.223 -0.056 0.000 2.046 535 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 535 L C 2.633 179.468 176.870 -0.060 0.000 1.077 535 L CA 2.253 57.053 54.840 -0.068 0.000 0.747 535 L CB -0.837 41.183 42.059 -0.065 0.000 0.896 535 L HN 0.344 nan 8.230 nan 0.000 0.432 536 A N -0.578 122.216 122.820 -0.044 0.000 1.978 536 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 536 A C 2.355 179.916 177.584 -0.038 0.000 1.170 536 A CA 1.791 53.809 52.037 -0.033 0.000 0.636 536 A CB -1.055 17.933 19.000 -0.021 0.000 0.810 536 A HN 0.591 nan 8.150 nan 0.000 0.448 537 A N -1.533 121.253 122.820 -0.058 0.000 2.123 537 A HA 0.312 4.632 4.320 -0.000 0.000 0.214 537 A C 1.267 178.806 177.584 -0.075 0.000 1.152 537 A CA 0.404 52.396 52.037 -0.076 0.000 0.728 537 A CB -0.360 18.560 19.000 -0.135 0.000 0.814 537 A HN 0.568 nan 8.150 nan 0.000 0.464 538 M N 1.717 121.274 119.600 -0.071 0.000 2.227 538 M HA 0.097 4.577 4.480 -0.000 0.000 0.349 538 M C -0.293 175.986 176.300 -0.036 0.000 1.443 538 M CA -0.214 55.048 55.300 -0.064 0.000 1.110 538 M CB -0.012 32.541 32.600 -0.079 0.000 1.773 538 M HN 0.379 nan 8.290 nan 0.000 0.463 539 D N 3.487 123.879 120.400 -0.014 0.000 2.571 539 D HA -0.078 4.562 4.640 -0.000 0.000 0.231 539 D C 0.696 177.005 176.300 0.015 0.000 1.133 539 D CA 0.645 54.660 54.000 0.024 0.000 0.862 539 D CB 1.044 41.874 40.800 0.049 0.000 1.179 539 D HN 0.719 nan 8.370 nan 0.000 0.474 540 T N 2.621 117.190 114.554 0.025 0.000 2.720 540 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 540 T C 1.821 176.472 174.700 -0.082 0.000 1.037 540 T CA 1.261 63.316 62.100 -0.075 0.000 1.144 540 T CB -0.519 68.246 68.868 -0.173 0.000 0.864 540 T HN 0.640 nan 8.240 nan 0.000 0.444 541 G N 1.388 110.219 108.800 0.050 0.000 2.418 541 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 541 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 541 G C 1.506 176.498 174.900 0.153 0.000 1.158 541 G CA 0.728 45.944 45.100 0.194 0.000 0.771 541 G HN 0.419 nan 8.290 nan 0.000 0.545 542 L N 0.262 121.546 121.223 0.102 0.000 2.083 542 L HA 0.043 4.383 4.340 -0.000 0.000 0.209 542 L C 2.501 179.410 176.870 0.065 0.000 1.083 542 L CA 1.505 56.393 54.840 0.081 0.000 0.752 542 L CB -0.560 41.525 42.059 0.043 0.000 0.899 542 L HN 0.205 nan 8.230 nan 0.000 0.433 543 L N -1.076 120.139 121.223 -0.013 0.000 2.012 543 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 543 L C 2.186 178.953 176.870 -0.172 0.000 1.073 543 L CA 1.971 56.738 54.840 -0.122 0.000 0.748 543 L CB -1.009 40.886 42.059 -0.274 0.000 0.891 543 L HN 0.227 nan 8.230 nan 0.000 0.431 544 F N 0.095 120.039 119.950 -0.011 0.000 2.325 544 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 544 F C 2.247 178.062 175.800 0.026 0.000 1.090 544 F CA 1.113 59.110 58.000 -0.006 0.000 1.392 544 F CB -0.621 38.338 39.000 -0.068 0.000 1.053 544 F HN 0.184 nan 8.300 nan 0.000 0.521 545 D N -0.858 119.662 120.400 0.200 0.000 2.123 545 D HA -0.251 4.389 4.640 -0.000 0.000 0.196 545 D C 2.014 178.409 176.300 0.157 0.000 0.992 545 D CA 1.337 55.435 54.000 0.164 0.000 0.833 545 D CB -0.700 40.194 40.800 0.157 0.000 0.954 545 D HN 0.290 nan 8.370 nan 0.000 0.455 546 Y N 1.476 121.798 120.300 0.037 0.000 2.242 546 Y HA -0.087 4.463 4.550 -0.000 0.000 0.291 546 Y C 2.204 178.126 175.900 0.036 0.000 1.137 546 Y CA 0.976 59.096 58.100 0.034 0.000 1.181 546 Y CB -0.384 38.074 38.460 -0.003 0.000 0.989 546 Y HN -0.089 nan 8.280 nan 0.000 0.527 547 L N -0.915 120.256 121.223 -0.086 0.000 2.083 547 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 547 L C 2.669 179.482 176.870 -0.095 0.000 1.083 547 L CA 1.299 56.056 54.840 -0.139 0.000 0.752 547 L CB -1.274 40.779 42.059 -0.010 0.000 0.899 547 L HN 0.360 nan 8.230 nan 0.000 0.433 548 G N -0.374 108.419 108.800 -0.012 0.000 2.432 548 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 548 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 548 G C 1.591 176.488 174.900 -0.005 0.000 1.135 548 G CA 0.733 45.828 45.100 -0.008 0.000 0.767 548 G HN 0.199 nan 8.290 nan 0.000 0.550 549 V N 0.425 120.319 119.914 -0.035 0.000 2.515 549 V HA -0.118 4.002 4.120 -0.000 0.000 0.250 549 V C 2.818 178.911 176.094 -0.001 0.000 1.058 549 V CA 1.666 63.963 62.300 -0.006 0.000 1.064 549 V CB -0.389 31.448 31.823 0.024 0.000 0.675 549 V HN 0.321 nan 8.190 nan 0.000 0.461 550 R N -0.717 119.653 120.500 -0.216 0.000 2.236 550 R HA 0.049 4.389 4.340 -0.000 0.000 0.208 550 R C 0.796 176.999 176.300 -0.162 0.000 1.036 550 R CA -0.044 55.891 56.100 -0.275 0.000 1.001 550 R CB -0.194 29.839 30.300 -0.445 0.000 0.896 550 R HN 0.331 nan 8.270 nan 0.000 0.464 551 L N 2.626 123.803 121.223 -0.076 0.000 2.601 551 L HA -0.081 4.259 4.340 -0.000 0.000 0.277 551 L C -0.643 176.217 176.870 -0.016 0.000 1.219 551 L CA 0.759 55.579 54.840 -0.033 0.000 0.915 551 L CB 0.266 42.323 42.059 -0.002 0.000 1.160 551 L HN -0.041 nan 8.230 nan 0.000 0.494 552 D N 4.721 125.106 120.400 -0.025 0.000 2.339 552 D HA 0.211 4.851 4.640 -0.000 0.000 0.256 552 D C 0.854 177.159 176.300 0.008 0.000 1.214 552 D CA 0.672 54.666 54.000 -0.009 0.000 0.877 552 D CB 1.719 42.507 40.800 -0.020 0.000 1.111 552 D HN 0.738 nan 8.370 nan 0.000 0.478 553 A N 3.065 125.896 122.820 0.020 0.000 1.969 553 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 553 A C 2.102 179.696 177.584 0.017 0.000 1.169 553 A CA 1.631 53.683 52.037 0.024 0.000 0.635 553 A CB -0.481 18.536 19.000 0.029 0.000 0.810 553 A HN 0.598 nan 8.150 nan 0.000 0.445 554 G N -0.357 108.451 108.800 0.012 0.000 2.421 554 G HA2 0.006 3.966 3.960 -0.000 0.000 0.216 554 G HA3 0.006 3.966 3.960 -0.000 0.000 0.216 554 G C 1.753 176.657 174.900 0.007 0.000 1.171 554 G CA 1.355 46.461 45.100 0.009 0.000 0.775 554 G HN 0.768 nan 8.290 nan 0.000 0.543 555 A N 0.983 123.806 122.820 0.005 0.000 1.933 555 A HA 0.328 4.648 4.320 -0.000 0.000 0.218 555 A C 2.704 180.291 177.584 0.005 0.000 1.175 555 A CA 2.126 54.165 52.037 0.003 0.000 0.628 555 A CB -0.584 18.416 19.000 0.000 0.000 0.814 555 A HN 0.786 nan 8.150 nan 0.000 0.444 556 A N -0.556 122.268 122.820 0.008 0.000 2.119 556 A HA 0.084 4.404 4.320 -0.000 0.000 0.216 556 A C 1.045 178.636 177.584 0.011 0.000 1.152 556 A CA 0.510 52.552 52.037 0.010 0.000 0.708 556 A CB -0.317 18.693 19.000 0.016 0.000 0.805 556 A HN 0.613 nan 8.150 nan 0.000 0.460 557 E N -0.598 119.608 120.200 0.012 0.000 2.415 557 E HA 0.306 4.656 4.350 -0.000 0.000 0.263 557 E C 1.211 177.816 176.600 0.008 0.000 0.995 557 E CA 0.652 57.059 56.400 0.012 0.000 0.915 557 E CB 0.011 29.717 29.700 0.010 0.000 0.951 557 E HN 0.637 nan 8.360 nan 0.000 0.449 558 G N 3.697 112.503 108.800 0.009 0.000 2.184 558 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.264 558 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.264 558 G C -0.103 174.798 174.900 0.003 0.000 0.975 558 G CA 0.419 45.522 45.100 0.005 0.000 0.642 558 G HN 0.450 nan 8.290 nan 0.000 0.536 559 K N 0.223 120.625 120.400 0.003 0.000 2.095 559 K HA 0.843 5.163 4.320 -0.000 0.000 0.252 559 K C -0.036 176.563 176.600 -0.003 0.000 0.977 559 K CA 0.101 56.387 56.287 -0.002 0.000 0.900 559 K CB 2.100 34.597 32.500 -0.005 0.000 1.060 559 K HN 1.041 nan 8.250 nan 0.000 0.449 560 A N 1.824 124.638 122.820 -0.009 0.000 2.488 560 A HA 0.636 4.956 4.320 -0.000 0.000 0.295 560 A C -1.460 176.112 177.584 -0.021 0.000 1.045 560 A CA -0.810 51.220 52.037 -0.011 0.000 0.703 560 A CB 0.783 19.779 19.000 -0.007 0.000 1.271 560 A HN 0.588 nan 8.150 nan 0.000 0.400 561 L N -0.274 120.932 121.223 -0.028 0.000 2.582 561 L HA 0.963 5.303 4.340 -0.000 0.000 0.257 561 L C -0.482 176.360 176.870 -0.047 0.000 0.974 561 L CA -0.480 54.336 54.840 -0.040 0.000 0.851 561 L CB 1.618 43.648 42.059 -0.048 0.000 1.424 561 L HN 1.056 nan 8.230 nan 0.000 0.412 562 S N 0.850 116.519 115.700 -0.052 0.000 2.541 562 S HA 0.939 5.409 4.470 -0.000 0.000 0.280 562 S C -0.837 173.721 174.600 -0.070 0.000 1.112 562 S CA -0.582 57.582 58.200 -0.059 0.000 0.925 562 S CB 1.502 64.675 63.200 -0.045 0.000 1.067 562 S HN 0.749 nan 8.310 nan 0.000 0.479 563 I N 2.198 122.716 120.570 -0.086 0.000 2.534 563 I HA 0.335 4.505 4.170 -0.000 0.000 0.288 563 I C -1.025 175.038 176.117 -0.091 0.000 1.077 563 I CA -0.838 60.405 61.300 -0.095 0.000 1.051 563 I CB 2.099 40.022 38.000 -0.128 0.000 1.234 563 I HN 0.592 nan 8.210 nan 0.000 0.425 564 N N 5.899 124.559 118.700 -0.067 0.000 2.442 564 N HA 0.330 5.070 4.740 -0.000 0.000 0.265 564 N C -0.909 174.571 175.510 -0.050 0.000 1.138 564 N CA -0.262 52.757 53.050 -0.052 0.000 0.956 564 N CB 1.773 40.238 38.487 -0.036 0.000 1.067 564 N HN 0.379 nan 8.380 nan 0.000 0.474 565 L N 3.292 124.490 121.223 -0.042 0.000 2.305 565 L HA 0.421 4.761 4.340 -0.000 0.000 0.284 565 L C -0.364 176.535 176.870 0.047 0.000 1.013 565 L CA -0.455 54.374 54.840 -0.018 0.000 0.819 565 L CB 0.739 42.746 42.059 -0.088 0.000 1.227 565 L HN 0.361 nan 8.230 nan 0.000 0.417 566 R N 5.662 126.189 120.500 0.046 0.000 2.437 566 R HA 0.628 4.968 4.340 -0.000 0.000 0.310 566 R C -1.455 174.889 176.300 0.074 0.000 0.955 566 R CA -0.747 55.389 56.100 0.060 0.000 0.851 566 R CB 1.446 31.765 30.300 0.032 0.000 1.161 566 R HN 0.484 nan 8.270 nan 0.000 0.446 567 L N 5.037 126.318 121.223 0.097 0.000 2.384 567 L HA 0.359 4.699 4.340 -0.000 0.000 0.261 567 L C -1.947 174.967 176.870 0.072 0.000 1.024 567 L CA -1.536 53.359 54.840 0.092 0.000 0.899 567 L CB 1.636 43.767 42.059 0.120 0.000 1.243 567 L HN 0.381 nan 8.230 nan 0.000 0.449 568 P HA -0.100 nan 4.420 nan 0.000 0.220 568 P C 0.906 178.229 177.300 0.038 0.000 1.152 568 P CA 0.862 63.986 63.100 0.040 0.000 0.812 568 P CB 0.183 31.902 31.700 0.031 0.000 0.792 569 D N 0.956 121.380 120.400 0.039 0.000 2.182 569 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 569 D C 1.668 177.990 176.300 0.036 0.000 0.986 569 D CA 1.275 55.295 54.000 0.034 0.000 0.847 569 D CB -1.223 39.596 40.800 0.032 0.000 0.942 569 D HN 0.347 nan 8.370 nan 0.000 0.467 570 I N -4.669 115.930 120.570 0.049 0.000 3.956 570 I HA 0.447 4.617 4.170 -0.000 0.000 0.333 570 I C 1.246 177.397 176.117 0.055 0.000 1.302 570 I CA 0.153 61.485 61.300 0.054 0.000 1.122 570 I CB 0.002 38.043 38.000 0.069 0.000 1.013 570 I HN 0.036 nan 8.210 nan 0.000 0.405 571 G N 2.087 110.917 108.800 0.051 0.000 2.338 571 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.296 571 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.296 571 G C -0.340 174.589 174.900 0.047 0.000 1.040 571 G CA 0.288 45.413 45.100 0.040 0.000 1.004 571 G HN 0.702 nan 8.290 nan 0.000 0.509 572 E N -0.090 120.159 120.200 0.082 0.000 2.248 572 E HA 0.437 4.787 4.350 -0.000 0.000 0.267 572 E C -0.606 176.066 176.600 0.120 0.000 0.877 572 E CA -1.022 55.440 56.400 0.103 0.000 0.759 572 E CB 1.096 30.936 29.700 0.233 0.000 1.182 572 E HN 0.251 nan 8.360 nan 0.000 0.418 573 N N 1.773 120.485 118.700 0.020 0.000 2.362 573 N HA 0.395 5.135 4.740 -0.000 0.000 0.298 573 N C -1.461 173.996 175.510 -0.089 0.000 1.048 573 N CA -0.394 52.670 53.050 0.024 0.000 0.858 573 N CB 0.987 39.457 38.487 -0.028 0.000 1.218 573 N HN 0.341 nan 8.380 nan 0.000 0.488 574 Y N 0.208 120.467 120.300 -0.069 0.000 2.462 574 Y HA 0.454 5.004 4.550 -0.000 0.000 0.346 574 Y C -0.368 175.449 175.900 -0.138 0.000 0.976 574 Y CA -1.029 57.005 58.100 -0.110 0.000 1.044 574 Y CB 1.752 40.105 38.460 -0.180 0.000 1.230 574 Y HN 0.330 nan 8.280 nan 0.000 0.455 575 L N 4.546 125.766 121.223 -0.005 0.000 2.272 575 L HA 0.549 4.889 4.340 -0.000 0.000 0.289 575 L C -1.408 175.423 176.870 -0.065 0.000 1.032 575 L CA -0.343 54.471 54.840 -0.043 0.000 0.810 575 L CB 0.311 42.343 42.059 -0.045 0.000 1.205 575 L HN 0.510 nan 8.230 nan 0.000 0.422 576 L N 5.411 126.560 121.223 -0.123 0.000 2.264 576 L HA 0.518 4.858 4.340 -0.000 0.000 0.289 576 L C -0.283 176.525 176.870 -0.103 0.000 1.044 576 L CA -0.387 54.358 54.840 -0.159 0.000 0.807 576 L CB 1.073 42.980 42.059 -0.253 0.000 1.192 576 L HN 0.613 nan 8.230 nan 0.000 0.425 577 E N 3.675 123.826 120.200 -0.082 0.000 2.216 577 E HA 0.369 4.719 4.350 -0.000 0.000 0.260 577 E C -1.302 175.259 176.600 -0.065 0.000 0.880 577 E CA -0.730 55.634 56.400 -0.059 0.000 0.765 577 E CB 2.875 32.556 29.700 -0.032 0.000 1.174 577 E HN 0.301 nan 8.360 nan 0.000 0.417 578 L N 3.796 124.987 121.223 -0.054 0.000 2.264 578 L HA 0.509 4.849 4.340 -0.000 0.000 0.289 578 L C -0.963 175.898 176.870 -0.014 0.000 1.044 578 L CA 0.220 55.032 54.840 -0.045 0.000 0.807 578 L CB 0.382 42.417 42.059 -0.040 0.000 1.192 578 L HN 0.434 nan 8.230 nan 0.000 0.425 579 K N 3.416 123.823 120.400 0.013 0.000 2.568 579 K HA 0.347 4.667 4.320 -0.000 0.000 0.273 579 K C -0.651 175.987 176.600 0.065 0.000 0.951 579 K CA -0.708 55.598 56.287 0.032 0.000 0.854 579 K CB 1.296 33.813 32.500 0.029 0.000 1.424 579 K HN 0.640 nan 8.250 nan 0.000 0.427 580 N N 1.659 120.388 118.700 0.048 0.000 2.727 580 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 580 N C -1.155 174.399 175.510 0.072 0.000 1.048 580 N CA 1.538 54.618 53.050 0.051 0.000 0.714 580 N CB -1.243 37.272 38.487 0.047 0.000 0.959 580 N HN 0.757 nan 8.380 nan 0.000 0.544 581 S N -1.272 114.468 115.700 0.065 0.000 3.698 581 S HA -0.248 4.222 4.470 -0.000 0.000 0.338 581 S C -0.261 174.417 174.600 0.131 0.000 1.089 581 S CA 1.198 59.439 58.200 0.069 0.000 0.991 581 S CB -1.302 61.929 63.200 0.051 0.000 0.909 581 S HN 0.812 nan 8.310 nan 0.000 0.485 582 H N -0.744 118.333 119.070 0.012 0.000 2.947 582 H HA 0.527 5.083 4.556 -0.000 0.000 0.354 582 H C -1.126 174.215 175.328 0.022 0.000 1.085 582 H CA -0.843 55.216 56.048 0.018 0.000 1.253 582 H CB 1.075 30.847 29.762 0.017 0.000 1.757 582 H HN 0.233 nan 8.280 nan 0.000 0.523 583 L N 5.689 126.613 121.223 -0.499 0.000 2.265 583 L HA 0.317 4.657 4.340 -0.000 0.000 0.288 583 L C -0.699 175.814 176.870 -0.595 0.000 1.058 583 L CA -0.273 54.336 54.840 -0.385 0.000 0.809 583 L CB 0.624 42.594 42.059 -0.148 0.000 1.179 583 L HN 0.574 nan 8.230 nan 0.000 0.429 584 N N 3.534 122.033 118.700 -0.334 0.000 2.417 584 N HA 0.420 5.160 4.740 -0.000 0.000 0.300 584 N C -1.174 174.298 175.510 -0.063 0.000 1.102 584 N CA -0.518 52.441 53.050 -0.151 0.000 0.886 584 N CB 1.738 40.211 38.487 -0.024 0.000 1.203 584 N HN 0.756 nan 8.380 nan 0.000 0.496 585 N N 0.109 118.817 118.700 0.014 0.000 2.235 585 N HA 0.527 5.267 4.740 -0.000 0.000 0.293 585 N C -1.852 173.727 175.510 0.114 0.000 1.083 585 N CA -0.811 52.268 53.050 0.048 0.000 0.801 585 N CB 1.527 40.047 38.487 0.055 0.000 1.559 585 N HN 0.212 nan 8.380 nan 0.000 0.472 586 L N 1.090 122.371 121.223 0.096 0.000 2.372 586 L HA 0.487 4.827 4.340 -0.000 0.000 0.274 586 L C -0.091 176.690 176.870 -0.147 0.000 0.988 586 L CA -0.648 54.200 54.840 0.014 0.000 0.833 586 L CB 1.438 43.483 42.059 -0.023 0.000 1.236 586 L HN 0.768 nan 8.230 nan 0.000 0.410 587 R N 3.279 123.597 120.500 -0.304 0.000 2.643 587 R HA 0.445 4.785 4.340 -0.000 0.000 0.270 587 R C 0.885 176.924 176.300 -0.435 0.000 1.061 587 R CA 0.957 56.577 56.100 -0.799 0.000 1.107 587 R CB 0.481 30.437 30.300 -0.573 0.000 0.999 587 R HN 0.939 nan 8.270 nan 0.000 0.460 588 G N 1.736 110.267 108.800 -0.449 0.000 2.198 588 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 588 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 588 G C -0.520 174.290 174.900 -0.151 0.000 1.025 588 G CA 0.302 45.265 45.100 -0.229 0.000 0.769 588 G HN 0.468 nan 8.290 nan 0.000 0.507 589 V N 0.328 120.150 119.914 -0.153 0.000 2.709 589 V HA 0.716 4.836 4.120 -0.000 0.000 0.308 589 V C -0.362 175.688 176.094 -0.073 0.000 1.062 589 V CA -0.953 61.291 62.300 -0.093 0.000 0.901 589 V CB 1.999 33.775 31.823 -0.078 0.000 1.003 589 V HN 0.344 nan 8.190 nan 0.000 0.425 590 Q N 1.563 121.331 119.800 -0.052 0.000 2.413 590 Q HA 0.644 4.984 4.340 -0.000 0.000 0.276 590 Q C -0.829 175.151 176.000 -0.035 0.000 1.099 590 Q CA -0.480 55.299 55.803 -0.041 0.000 0.814 590 Q CB 2.473 31.191 28.738 -0.034 0.000 1.379 590 Q HN 0.717 nan 8.270 nan 0.000 0.436 591 S N 0.302 115.982 115.700 -0.032 0.000 2.502 591 S HA 0.296 4.766 4.470 -0.000 0.000 0.304 591 S C -0.057 174.528 174.600 -0.025 0.000 1.097 591 S CA -0.428 57.755 58.200 -0.028 0.000 1.045 591 S CB 0.814 63.997 63.200 -0.028 0.000 1.019 591 S HN 0.443 nan 8.310 nan 0.000 0.481 592 E N 2.218 122.405 120.200 -0.021 0.000 2.472 592 E HA 0.039 4.389 4.350 -0.000 0.000 0.200 592 E C 0.198 176.787 176.600 -0.019 0.000 1.046 592 E CA 0.734 57.123 56.400 -0.019 0.000 0.871 592 E CB 0.068 29.759 29.700 -0.016 0.000 0.806 592 E HN 0.530 nan 8.360 nan 0.000 0.533 593 D N -0.338 120.050 120.400 -0.020 0.000 2.431 593 D HA 0.177 4.817 4.640 -0.000 0.000 0.213 593 D C -0.014 176.271 176.300 -0.025 0.000 1.130 593 D CA -0.027 53.961 54.000 -0.020 0.000 0.834 593 D CB 0.289 41.078 40.800 -0.018 0.000 0.985 593 D HN 0.089 nan 8.370 nan 0.000 0.504 594 A N 0.525 123.328 122.820 -0.029 0.000 2.540 594 A HA 0.367 4.687 4.320 -0.000 0.000 0.239 594 A C 1.704 179.267 177.584 -0.035 0.000 1.061 594 A CA 0.553 52.568 52.037 -0.036 0.000 0.758 594 A CB 0.443 19.419 19.000 -0.041 0.000 0.991 594 A HN 0.201 nan 8.150 nan 0.000 0.502 595 G N 0.474 109.251 108.800 -0.039 0.000 2.471 595 G HA2 0.120 4.080 3.960 -0.000 0.000 0.219 595 G HA3 0.120 4.080 3.960 -0.000 0.000 0.219 595 G C 0.638 175.513 174.900 -0.042 0.000 1.125 595 G CA 1.205 46.282 45.100 -0.039 0.000 0.775 595 G HN 0.911 nan 8.290 nan 0.000 0.548 596 Q N -1.011 118.759 119.800 -0.050 0.000 2.391 596 Q HA 0.468 4.808 4.340 -0.000 0.000 0.279 596 Q C -1.853 174.115 176.000 -0.052 0.000 1.028 596 Q CA -0.556 55.215 55.803 -0.053 0.000 0.836 596 Q CB 1.812 30.509 28.738 -0.068 0.000 1.414 596 Q HN 0.029 nan 8.270 nan 0.000 0.397 597 T N 2.154 116.682 114.554 -0.044 0.000 2.812 597 T HA 0.538 4.888 4.350 -0.000 0.000 0.282 597 T C -1.084 173.596 174.700 -0.034 0.000 0.990 597 T CA -0.405 61.673 62.100 -0.037 0.000 0.960 597 T CB 1.291 70.143 68.868 -0.027 0.000 0.948 597 T HN 0.348 nan 8.240 nan 0.000 0.438 598 V N 2.686 122.580 119.914 -0.032 0.000 2.495 598 V HA 0.710 4.830 4.120 -0.000 0.000 0.298 598 V C -0.064 176.030 176.094 0.000 0.000 1.031 598 V CA -0.723 61.564 62.300 -0.022 0.000 0.871 598 V CB 1.946 33.750 31.823 -0.031 0.000 0.988 598 V HN 0.863 nan 8.190 nan 0.000 0.432 599 S N 5.474 121.178 115.700 0.007 0.000 2.519 599 S HA 0.854 5.324 4.470 -0.000 0.000 0.309 599 S C -1.020 173.597 174.600 0.029 0.000 1.100 599 S CA -0.466 57.746 58.200 0.020 0.000 1.059 599 S CB 0.761 63.969 63.200 0.014 0.000 1.008 599 S HN 0.740 nan 8.310 nan 0.000 0.478 600 I N 3.069 123.666 120.570 0.044 0.000 2.753 600 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 600 I C -1.521 174.630 176.117 0.057 0.000 1.425 600 I CA -0.641 60.690 61.300 0.051 0.000 1.039 600 I CB 1.836 39.875 38.000 0.065 0.000 1.349 600 I HN 0.510 nan 8.210 nan 0.000 0.430 601 D N 5.024 125.452 120.400 0.048 0.000 2.414 601 D HA 0.094 4.734 4.640 -0.000 0.000 0.242 601 D C 0.920 177.251 176.300 0.051 0.000 1.129 601 D CA -0.020 54.008 54.000 0.047 0.000 0.885 601 D CB 1.350 42.172 40.800 0.036 0.000 1.198 601 D HN 0.443 nan 8.370 nan 0.000 0.437 602 R N 2.888 123.420 120.500 0.053 0.000 2.096 602 R HA -0.188 4.152 4.340 -0.000 0.000 0.240 602 R C 1.748 178.064 176.300 0.026 0.000 1.139 602 R CA 2.128 58.255 56.100 0.046 0.000 0.952 602 R CB -0.860 29.468 30.300 0.047 0.000 0.854 602 R HN 0.493 nan 8.270 nan 0.000 0.436 603 A N 0.469 123.304 122.820 0.024 0.000 1.948 603 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 603 A C 1.755 179.347 177.584 0.014 0.000 1.177 603 A CA 2.142 54.188 52.037 0.015 0.000 0.636 603 A CB -0.648 18.362 19.000 0.017 0.000 0.815 603 A HN 0.459 nan 8.150 nan 0.000 0.449 604 D N -0.869 119.545 120.400 0.023 0.000 2.162 604 D HA -0.048 4.592 4.640 -0.000 0.000 0.203 604 D C 1.858 178.175 176.300 0.027 0.000 0.967 604 D CA 0.967 54.982 54.000 0.026 0.000 0.840 604 D CB -0.344 40.476 40.800 0.033 0.000 0.972 604 D HN 0.356 nan 8.370 nan 0.000 0.482 605 L N 1.583 122.827 121.223 0.037 0.000 2.042 605 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 605 L C 1.529 178.392 176.870 -0.013 0.000 1.076 605 L CA 1.679 56.541 54.840 0.037 0.000 0.749 605 L CB -0.696 41.402 42.059 0.065 0.000 0.893 605 L HN -0.116 nan 8.230 nan 0.000 0.432 606 N N 0.123 118.811 118.700 -0.020 0.000 2.043 606 N HA -0.185 4.555 4.740 -0.000 0.000 0.193 606 N C 1.902 177.389 175.510 -0.038 0.000 1.037 606 N CA 1.712 54.738 53.050 -0.040 0.000 0.851 606 N CB -0.372 38.097 38.487 -0.030 0.000 1.027 606 N HN 0.411 nan 8.380 nan 0.000 0.422 607 R N 0.707 121.196 120.500 -0.019 0.000 2.096 607 R HA -0.099 4.241 4.340 -0.000 0.000 0.240 607 R C 2.253 178.537 176.300 -0.025 0.000 1.139 607 R CA 0.775 56.865 56.100 -0.016 0.000 0.952 607 R CB -0.702 29.598 30.300 -0.000 0.000 0.854 607 R HN 0.262 nan 8.270 nan 0.000 0.436 608 L N 1.013 122.222 121.223 -0.024 0.000 2.012 608 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 608 L C 2.185 178.998 176.870 -0.095 0.000 1.073 608 L CA 1.664 56.481 54.840 -0.038 0.000 0.748 608 L CB -0.248 41.807 42.059 -0.007 0.000 0.891 608 L HN 0.268 nan 8.230 nan 0.000 0.431 609 L N -0.884 120.267 121.223 -0.119 0.000 2.395 609 L HA -0.148 4.192 4.340 -0.000 0.000 0.218 609 L C 2.107 178.911 176.870 -0.109 0.000 1.130 609 L CA 0.371 55.113 54.840 -0.163 0.000 0.826 609 L CB -0.126 41.828 42.059 -0.175 0.000 0.941 609 L HN 0.264 nan 8.230 nan 0.000 0.451 610 L N -0.311 120.866 121.223 -0.076 0.000 2.592 610 L HA 0.069 4.409 4.340 -0.000 0.000 0.227 610 L C 0.546 177.390 176.870 -0.044 0.000 1.127 610 L CA -0.085 54.723 54.840 -0.054 0.000 0.884 610 L CB 0.059 42.094 42.059 -0.040 0.000 1.065 610 L HN 0.170 nan 8.230 nan 0.000 0.457 611 K N -0.103 120.267 120.400 -0.051 0.000 3.160 611 K HA -0.291 4.029 4.320 -0.000 0.000 0.280 611 K C 0.925 177.514 176.600 -0.019 0.000 1.154 611 K CA 1.023 57.289 56.287 -0.036 0.000 0.822 611 K CB -1.868 30.611 32.500 -0.034 0.000 1.239 611 K HN 0.499 nan 8.250 nan 0.000 0.489 612 E N 0.415 120.605 120.200 -0.016 0.000 2.358 612 E HA 0.027 4.377 4.350 -0.000 0.000 0.195 612 E C 0.148 176.750 176.600 0.004 0.000 1.010 612 E CA 0.547 56.944 56.400 -0.005 0.000 0.856 612 E CB 0.521 30.218 29.700 -0.005 0.000 0.795 612 E HN 0.162 nan 8.360 nan 0.000 0.504 613 V N 0.281 120.197 119.914 0.004 0.000 3.120 613 V HA 0.245 4.365 4.120 -0.000 0.000 0.303 613 V C -1.141 174.964 176.094 0.017 0.000 1.238 613 V CA -0.537 61.773 62.300 0.017 0.000 1.008 613 V CB 2.230 34.066 31.823 0.022 0.000 1.064 613 V HN 0.256 nan 8.190 nan 0.000 0.434 614 S N 4.115 119.834 115.700 0.031 0.000 2.616 614 S HA 0.708 5.178 4.470 -0.000 0.000 0.277 614 S C 1.179 175.798 174.600 0.032 0.000 1.234 614 S CA 0.112 58.331 58.200 0.032 0.000 1.028 614 S CB 1.729 64.955 63.200 0.043 0.000 0.988 614 S HN 1.727 nan 8.310 nan 0.000 0.522 615 A N 2.127 124.966 122.820 0.032 0.000 1.908 615 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 615 A C 2.188 179.754 177.584 -0.030 0.000 1.181 615 A CA 1.708 53.761 52.037 0.027 0.000 0.627 615 A CB -1.325 17.710 19.000 0.059 0.000 0.818 615 A HN 1.126 nan 8.150 nan 0.000 0.445 616 V N 0.339 120.229 119.914 -0.041 0.000 2.252 616 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 616 V C 2.589 178.619 176.094 -0.107 0.000 1.056 616 V CA 2.886 65.103 62.300 -0.139 0.000 1.022 616 V CB -0.666 31.142 31.823 -0.026 0.000 0.641 616 V HN 0.725 nan 8.190 nan 0.000 0.445 617 R N -0.698 119.858 120.500 0.093 0.000 2.091 617 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 617 R C 2.326 178.697 176.300 0.118 0.000 1.136 617 R CA 2.298 58.511 56.100 0.188 0.000 0.959 617 R CB -0.416 29.962 30.300 0.130 0.000 0.856 617 R HN 0.584 nan 8.270 nan 0.000 0.437 618 L N 0.394 121.644 121.223 0.045 0.000 2.046 618 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 618 L C 2.480 179.351 176.870 0.002 0.000 1.077 618 L CA 1.251 56.109 54.840 0.030 0.000 0.747 618 L CB -0.424 41.649 42.059 0.023 0.000 0.896 618 L HN 0.134 nan 8.230 nan 0.000 0.432 619 V N -0.781 119.084 119.914 -0.083 0.000 2.332 619 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 619 V C 2.273 178.313 176.094 -0.089 0.000 1.055 619 V CA 1.816 64.026 62.300 -0.149 0.000 1.038 619 V CB -0.791 30.854 31.823 -0.296 0.000 0.651 619 V HN 0.200 nan 8.190 nan 0.000 0.450 620 F N 0.627 120.587 119.950 0.016 0.000 2.234 620 F HA -0.063 4.464 4.527 -0.000 0.000 0.299 620 F C 2.353 178.160 175.800 0.013 0.000 1.087 620 F CA 1.183 59.191 58.000 0.013 0.000 1.340 620 F CB -0.590 38.417 39.000 0.012 0.000 1.031 620 F HN 0.225 nan 8.300 nan 0.000 0.500 621 E N -0.543 119.771 120.200 0.190 0.000 2.511 621 E HA 0.127 4.477 4.350 -0.000 0.000 0.196 621 E C 1.544 178.190 176.600 0.077 0.000 1.066 621 E CA 0.413 56.880 56.400 0.113 0.000 0.871 621 E CB -0.335 29.417 29.700 0.087 0.000 0.863 621 E HN 0.396 nan 8.360 nan 0.000 0.520 622 G N 1.754 110.597 108.800 0.071 0.000 2.221 622 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.265 622 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.265 622 G C 0.699 175.618 174.900 0.033 0.000 1.041 622 G CA 0.840 45.967 45.100 0.045 0.000 0.807 622 G HN 0.277 nan 8.290 nan 0.000 0.502 623 K N -1.594 118.825 120.400 0.031 0.000 2.370 623 K HA 0.363 4.682 4.320 -0.000 0.000 0.194 623 K C 0.466 177.080 176.600 0.023 0.000 1.070 623 K CA -0.045 56.260 56.287 0.029 0.000 0.998 623 K CB 0.572 33.092 32.500 0.035 0.000 0.911 623 K HN 0.278 nan 8.250 nan 0.000 0.533 624 L N 1.976 123.206 121.223 0.011 0.000 2.316 624 L HA 0.340 4.680 4.340 -0.000 0.000 0.280 624 L C -1.351 175.511 176.870 -0.013 0.000 1.006 624 L CA -0.294 54.548 54.840 0.004 0.000 0.836 624 L CB 0.913 42.973 42.059 0.002 0.000 1.221 624 L HN -0.169 nan 8.230 nan 0.000 0.418 625 K N 2.831 123.227 120.400 -0.006 0.000 2.156 625 K HA 0.734 5.053 4.320 -0.000 0.000 0.254 625 K C -0.944 175.645 176.600 -0.019 0.000 0.950 625 K CA -0.705 55.575 56.287 -0.012 0.000 0.849 625 K CB 2.094 34.593 32.500 -0.002 0.000 1.100 625 K HN 0.569 nan 8.250 nan 0.000 0.434 626 S N 0.636 116.321 115.700 -0.026 0.000 2.546 626 S HA 0.556 5.026 4.470 -0.000 0.000 0.274 626 S C -1.393 173.191 174.600 -0.027 0.000 1.121 626 S CA -0.598 57.583 58.200 -0.031 0.000 0.887 626 S CB 1.294 64.468 63.200 -0.043 0.000 1.094 626 S HN 0.659 nan 8.310 nan 0.000 0.474 627 S N 2.103 117.787 115.700 -0.027 0.000 2.667 627 S HA 1.003 5.473 4.470 -0.000 0.000 0.292 627 S C 0.501 175.084 174.600 -0.029 0.000 1.126 627 S CA -0.156 58.030 58.200 -0.025 0.000 0.881 627 S CB 0.772 63.961 63.200 -0.019 0.000 1.132 627 S HN 2.209 nan 8.310 nan 0.000 0.492 628 G N 1.557 110.341 108.800 -0.026 0.000 2.584 628 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.229 628 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.229 628 G C -0.480 174.402 174.900 -0.031 0.000 1.320 628 G CA -0.217 44.866 45.100 -0.028 0.000 0.891 628 G HN 1.134 nan 8.290 nan 0.000 0.573 629 N N 2.347 121.026 118.700 -0.034 0.000 2.429 629 N HA 0.207 4.947 4.740 -0.000 0.000 0.271 629 N C -0.465 175.017 175.510 -0.046 0.000 1.272 629 N CA -0.927 52.102 53.050 -0.037 0.000 0.921 629 N CB 1.080 39.545 38.487 -0.037 0.000 1.128 629 N HN 0.303 nan 8.380 nan 0.000 0.481 630 P HA -0.026 nan 4.420 nan 0.000 0.245 630 P C 1.043 178.306 177.300 -0.062 0.000 1.212 630 P CA 0.611 63.679 63.100 -0.053 0.000 0.774 630 P CB 0.422 32.094 31.700 -0.047 0.000 0.999 631 L N -1.266 119.923 121.223 -0.056 0.000 2.529 631 L HA 0.086 4.426 4.340 -0.000 0.000 0.223 631 L C 2.472 179.296 176.870 -0.078 0.000 1.113 631 L CA 0.238 55.044 54.840 -0.057 0.000 0.861 631 L CB -0.459 41.575 42.059 -0.040 0.000 1.012 631 L HN -0.085 nan 8.230 nan 0.000 0.461 632 L N -0.456 120.714 121.223 -0.090 0.000 2.027 632 L HA -0.219 4.121 4.340 -0.000 0.000 0.206 632 L C 2.535 179.306 176.870 -0.165 0.000 1.074 632 L CA 0.933 55.711 54.840 -0.104 0.000 0.745 632 L CB -0.453 41.551 42.059 -0.093 0.000 0.898 632 L HN 0.242 nan 8.230 nan 0.000 0.433 633 L N 0.411 121.499 121.223 -0.224 0.000 2.042 633 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 633 L C 2.338 178.893 176.870 -0.525 0.000 1.076 633 L CA 2.151 56.738 54.840 -0.422 0.000 0.749 633 L CB -0.970 40.842 42.059 -0.413 0.000 0.893 633 L HN 0.151 nan 8.230 nan 0.000 0.432 634 G N -1.546 107.096 108.800 -0.264 0.000 2.421 634 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 634 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 634 G C 1.443 176.314 174.900 -0.049 0.000 1.171 634 G CA 0.795 45.833 45.100 -0.104 0.000 0.775 634 G HN 0.547 nan 8.290 nan 0.000 0.543 635 Q N -0.624 119.135 119.800 -0.069 0.000 2.061 635 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 635 Q C 2.501 178.486 176.000 -0.025 0.000 0.984 635 Q CA 1.287 57.068 55.803 -0.036 0.000 0.846 635 Q CB -0.332 28.380 28.738 -0.044 0.000 0.902 635 Q HN 0.411 nan 8.270 nan 0.000 0.421 636 L N 0.097 121.274 121.223 -0.077 0.000 1.989 636 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 636 L C 1.982 178.906 176.870 0.090 0.000 1.071 636 L CA 1.802 56.617 54.840 -0.042 0.000 0.749 636 L CB -0.693 41.296 42.059 -0.117 0.000 0.890 636 L HN 0.120 nan 8.230 nan 0.000 0.431 637 F N 0.495 120.445 119.950 -0.001 0.000 2.154 637 F HA -0.111 4.416 4.527 -0.000 0.000 0.301 637 F C 2.528 178.312 175.800 -0.028 0.000 1.087 637 F CA 1.037 59.029 58.000 -0.013 0.000 1.274 637 F CB -1.858 37.137 39.000 -0.009 0.000 1.009 637 F HN 0.252 nan 8.300 nan 0.000 0.485 638 G N -1.151 107.748 108.800 0.165 0.000 2.679 638 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.212 638 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.212 638 G C 1.522 176.446 174.900 0.039 0.000 1.137 638 G CA 0.187 45.333 45.100 0.077 0.000 0.787 638 G HN 0.303 nan 8.290 nan 0.000 0.534 639 M N -0.154 119.472 119.600 0.044 0.000 2.495 639 M HA 0.273 4.753 4.480 -0.000 0.000 0.237 639 M C -0.271 176.026 176.300 -0.005 0.000 1.131 639 M CA -0.074 55.235 55.300 0.016 0.000 1.032 639 M CB 0.407 33.017 32.600 0.016 0.000 1.513 639 M HN -0.047 nan 8.290 nan 0.000 0.488 640 L N 0.812 122.032 121.223 -0.004 0.000 2.290 640 L HA 0.395 4.735 4.340 -0.000 0.000 0.284 640 L C 0.810 177.604 176.870 -0.127 0.000 1.078 640 L CA -0.093 54.708 54.840 -0.066 0.000 0.815 640 L CB 0.526 42.550 42.059 -0.059 0.000 1.162 640 L HN 0.009 nan 8.230 nan 0.000 0.435 641 G N 2.342 111.024 108.800 -0.196 0.000 2.535 641 G HA2 0.552 4.512 3.960 -0.000 0.000 0.303 641 G HA3 0.552 4.512 3.960 -0.000 0.000 0.303 641 G C -0.910 173.732 174.900 -0.431 0.000 1.237 641 G CA -0.425 44.523 45.100 -0.254 0.000 0.986 641 G HN 0.639 nan 8.290 nan 0.000 0.494 642 D N -1.586 118.570 120.400 -0.407 0.000 2.490 642 D HA 0.519 5.159 4.640 -0.000 0.000 0.232 642 D C -1.374 174.665 176.300 -0.436 0.000 1.053 642 D CA -0.661 53.070 54.000 -0.448 0.000 0.914 642 D CB 1.685 42.381 40.800 -0.173 0.000 1.431 642 D HN 0.106 nan 8.370 nan 0.000 0.483 643 F N 0.145 120.137 119.950 0.070 0.000 2.436 643 F HA 0.247 4.774 4.527 -0.000 0.000 0.340 643 F C 0.596 176.474 175.800 0.129 0.000 1.113 643 F CA -1.177 56.881 58.000 0.096 0.000 1.022 643 F CB 1.277 40.346 39.000 0.114 0.000 1.128 643 F HN 0.184 nan 8.300 nan 0.000 0.466 644 D N 2.128 122.726 120.400 0.331 0.000 2.348 644 D HA 0.029 4.669 4.640 -0.000 0.000 0.253 644 D C 0.751 177.222 176.300 0.285 0.000 1.161 644 D CA 0.131 54.299 54.000 0.280 0.000 0.876 644 D CB 0.504 41.454 40.800 0.249 0.000 1.160 644 D HN 0.405 nan 8.370 nan 0.000 0.459 645 F N 3.091 123.075 119.950 0.055 0.000 2.084 645 F HA 0.082 4.609 4.527 -0.000 0.000 0.296 645 F C 0.712 176.268 175.800 -0.407 0.000 1.111 645 F CA 0.892 58.760 58.000 -0.220 0.000 1.224 645 F CB -0.016 38.725 39.000 -0.431 0.000 0.991 645 F HN 0.474 nan 8.300 nan 0.000 0.471 646 W N 2.492 123.817 121.300 0.043 0.000 1.992 646 W HA 0.150 4.810 4.660 -0.000 0.000 0.449 646 W C -0.275 176.176 176.519 -0.114 0.000 0.617 646 W CA -1.001 56.284 57.345 -0.101 0.000 2.341 646 W CB -1.262 28.261 29.460 0.105 0.000 1.156 646 W HN -0.091 nan 8.180 nan 0.000 0.538 647 F N -0.633 119.322 119.950 0.009 0.000 2.490 647 F HA 0.208 4.735 4.527 -0.000 0.000 0.336 647 F C 0.772 176.582 175.800 0.018 0.000 1.178 647 F CA -1.377 56.627 58.000 0.006 0.000 1.301 647 F CB 0.300 39.261 39.000 -0.064 0.000 1.175 647 F HN -0.067 nan 8.300 nan 0.000 0.593 648 D N 2.169 122.760 120.400 0.319 0.000 2.414 648 D HA 0.169 4.809 4.640 -0.000 0.000 0.242 648 D C 0.867 177.313 176.300 0.244 0.000 1.129 648 D CA 0.342 54.462 54.000 0.201 0.000 0.885 648 D CB 1.822 42.673 40.800 0.086 0.000 1.198 648 D HN 0.620 nan 8.370 nan 0.000 0.437 649 I N 0.482 121.142 120.570 0.151 0.000 3.570 649 I HA -0.117 4.053 4.170 -0.000 0.000 0.270 649 I C 1.909 178.140 176.117 0.190 0.000 1.162 649 I CA 0.124 61.494 61.300 0.116 0.000 1.413 649 I CB 0.316 38.230 38.000 -0.143 0.000 1.437 649 I HN 0.231 nan 8.210 nan 0.000 0.457 650 V N -1.121 118.911 119.914 0.196 0.000 3.633 650 V HA 0.232 4.352 4.120 -0.000 0.000 0.283 650 V C 0.603 176.754 176.094 0.094 0.000 1.305 650 V CA 0.375 62.823 62.300 0.247 0.000 1.153 650 V CB -1.508 30.462 31.823 0.244 0.000 0.950 650 V HN 0.476 nan 8.190 nan 0.000 0.432 651 T N -3.183 111.255 114.554 -0.192 0.000 2.841 651 T HA 0.694 5.044 4.350 -0.000 0.000 0.296 651 T C -3.326 170.853 174.700 -0.870 0.000 1.166 651 T CA -1.981 59.688 62.100 -0.717 0.000 1.007 651 T CB 2.037 70.701 68.868 -0.339 0.000 1.253 651 T HN 0.062 nan 8.240 nan 0.000 0.511 652 P HA 0.447 nan 4.420 nan 0.000 0.272 652 P C -0.358 176.828 177.300 -0.191 0.000 1.240 652 P CA -0.428 62.410 63.100 -0.437 0.000 0.791 652 P CB -0.014 31.514 31.700 -0.288 0.000 0.978 653 A N 1.404 124.182 122.820 -0.070 0.000 2.561 653 A HA 0.374 4.694 4.320 -0.000 0.000 0.234 653 A C 0.679 178.248 177.584 -0.024 0.000 1.055 653 A CA 0.239 52.264 52.037 -0.020 0.000 0.756 653 A CB -0.814 18.188 19.000 0.003 0.000 0.986 653 A HN 0.620 nan 8.150 nan 0.000 0.505 654 A N 1.434 124.254 122.820 0.001 0.000 2.445 654 A HA 0.652 4.972 4.320 -0.000 0.000 0.242 654 A C 0.609 178.196 177.584 0.005 0.000 1.075 654 A CA 0.820 52.857 52.037 0.000 0.000 0.777 654 A CB -0.006 19.008 19.000 0.022 0.000 1.013 654 A HN 2.307 nan 8.150 nan 0.000 0.493 655 K N 0.000 120.400 120.400 0.000 0.000 2.780 655 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 655 K CA 0.000 nan 56.287 nan 0.000 0.838 655 K CB 0.000 nan 32.500 nan 0.000 1.064 655 K HN 0.000 nan 8.250 nan 0.000 0.543