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 2dw1_1_A DATA FIRST_RESID 195 DATA SEQUENCE NPFRFVELVL VVDKAMVTKN NGDLDKIKTR MYEIVNTVNE IYRYMYIHVA DATA SEQUENCE LVGLEIWSNE DKITVKPEAG YTLNAFGEWR KTDLLTRKKH DNAQLLTAID DATA SEQUENCE LDRVIGLAYV GSMcHPKRST GIIQDYSEIN LVVAVIMAHE MGHNLGINHD DATA SEQUENCE SGYcScGDYA cIMRPEISPE PSTFFSNcSY FECWDFIMNH NPEcILNEPL DATA SEQUENCE GTDIISPPVc GNELLEVGEE cDcGTPENcQ NEccDAATcK LKSGSQcGHG DATA SEQUENCE DccEQcKFSK SGTEcRASMS EcDPAEHcTG QSSEcPADVF HKNGQPcLDN DATA SEQUENCE YGYcYNGNcP IMYHQcYDLF GADVYEAEDS cFERNQKGNY YGYcRKENGN DATA SEQUENCE KIPcAPEDVK cGRLYcKDNS PGQNNPcKMF YSNEDEHKGM VLPGTKcADG DATA SEQUENCE KVcSNGHcVD VATAY 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 195 N HA 0.000 nan 4.740 nan 0.000 0.220 195 N C 0.000 175.599 175.510 0.149 0.000 1.280 195 N CA 0.000 53.150 53.050 0.167 0.000 0.885 195 N CB 0.000 38.634 38.487 0.245 0.000 1.341 196 P HA 0.070 nan 4.420 nan 0.000 0.219 196 P C 0.416 177.731 177.300 0.024 0.000 1.150 196 P CA 0.516 63.574 63.100 -0.071 0.000 0.814 196 P CB 0.176 31.723 31.700 -0.256 0.000 0.787 197 F N 1.225 121.243 119.950 0.112 0.000 2.471 197 F HA 0.180 4.707 4.527 0.001 0.000 0.353 197 F C 1.572 177.294 175.800 -0.131 0.000 1.113 197 F CA 0.057 58.047 58.000 -0.017 0.000 1.262 197 F CB 0.467 39.337 39.000 -0.216 0.000 1.146 197 F HN -0.254 nan 8.300 nan 0.000 0.578 198 R N 2.564 123.091 120.500 0.045 0.000 2.674 198 R HA 0.536 4.877 4.340 0.001 0.000 0.266 198 R C -1.471 174.668 176.300 -0.268 0.000 1.016 198 R CA -0.905 55.191 56.100 -0.006 0.000 1.062 198 R CB 1.328 31.614 30.300 -0.023 0.000 1.142 198 R HN 0.444 nan 8.270 nan 0.000 0.517 199 F N -0.339 119.699 119.950 0.147 0.000 2.529 199 F HA 0.340 4.868 4.527 0.001 0.000 0.320 199 F C -0.057 175.782 175.800 0.064 0.000 1.118 199 F CA -0.920 57.160 58.000 0.133 0.000 0.915 199 F CB 1.895 40.974 39.000 0.131 0.000 1.161 199 F HN -0.054 nan 8.300 nan 0.000 0.445 200 V N 2.848 122.874 119.914 0.187 0.000 2.311 200 V HA 0.233 4.353 4.120 0.001 0.000 0.275 200 V C -0.217 175.956 176.094 0.132 0.000 1.022 200 V CA -0.865 61.496 62.300 0.101 0.000 0.830 200 V CB 0.949 32.767 31.823 -0.008 0.000 1.012 200 V HN 0.679 nan 8.190 nan 0.000 0.452 201 E N 4.386 124.666 120.200 0.133 0.000 2.003 201 E HA 0.256 4.607 4.350 0.001 0.000 0.279 201 E C -0.580 176.109 176.600 0.149 0.000 1.132 201 E CA -0.406 56.072 56.400 0.130 0.000 0.888 201 E CB 1.330 31.099 29.700 0.115 0.000 1.056 201 E HN 0.433 nan 8.360 nan 0.000 0.399 202 L N 3.939 125.243 121.223 0.134 0.000 2.325 202 L HA 0.347 4.688 4.340 0.001 0.000 0.279 202 L C -0.927 176.019 176.870 0.126 0.000 1.054 202 L CA -0.618 54.309 54.840 0.146 0.000 0.804 202 L CB 1.556 43.685 42.059 0.117 0.000 1.200 202 L HN 0.185 nan 8.230 nan 0.000 0.436 203 V N 6.042 126.034 119.914 0.131 0.000 2.487 203 V HA 0.471 4.592 4.120 0.001 0.000 0.298 203 V C -0.202 175.950 176.094 0.097 0.000 1.028 203 V CA -0.564 61.758 62.300 0.037 0.000 0.860 203 V CB 1.728 33.424 31.823 -0.213 0.000 0.991 203 V HN 0.619 nan 8.190 nan 0.000 0.427 204 L N 5.015 126.276 121.223 0.063 0.000 2.334 204 L HA 0.764 5.104 4.340 0.001 0.000 0.273 204 L C -0.869 175.987 176.870 -0.023 0.000 1.013 204 L CA -0.894 53.967 54.840 0.036 0.000 0.816 204 L CB 2.223 44.286 42.059 0.006 0.000 1.278 204 L HN 0.332 nan 8.230 nan 0.000 0.431 205 V N 2.687 122.528 119.914 -0.121 0.000 2.588 205 V HA 0.426 4.547 4.120 0.001 0.000 0.304 205 V C -0.373 175.428 176.094 -0.488 0.000 1.042 205 V CA -0.679 61.410 62.300 -0.351 0.000 0.877 205 V CB 2.332 33.908 31.823 -0.412 0.000 0.996 205 V HN 0.392 nan 8.190 nan 0.000 0.425 206 V N 4.389 124.000 119.914 -0.504 0.000 2.384 206 V HA 0.358 4.479 4.120 0.001 0.000 0.287 206 V C -0.160 175.698 176.094 -0.394 0.000 1.020 206 V CA -0.719 61.359 62.300 -0.370 0.000 0.850 206 V CB 1.704 33.400 31.823 -0.211 0.000 0.987 206 V HN 1.048 nan 8.190 nan 0.000 0.436 207 D N 4.126 124.348 120.400 -0.297 0.000 2.357 207 D HA 0.008 4.649 4.640 0.001 0.000 0.242 207 D C 0.966 177.281 176.300 0.025 0.000 1.153 207 D CA -0.447 53.509 54.000 -0.073 0.000 0.918 207 D CB 1.203 41.981 40.800 -0.037 0.000 1.181 207 D HN 0.468 nan 8.370 nan 0.000 0.435 208 K N 0.745 121.219 120.400 0.124 0.000 2.209 208 K HA -0.138 4.182 4.320 0.001 0.000 0.204 208 K C 1.879 178.498 176.600 0.032 0.000 1.048 208 K CA 1.143 57.478 56.287 0.081 0.000 0.940 208 K CB -0.320 32.233 32.500 0.088 0.000 0.729 208 K HN 0.510 nan 8.250 nan 0.000 0.451 209 A N 1.043 123.877 122.820 0.023 0.000 1.908 209 A HA -0.188 4.132 4.320 0.001 0.000 0.218 209 A C 2.129 179.706 177.584 -0.011 0.000 1.181 209 A CA 1.512 53.552 52.037 0.004 0.000 0.627 209 A CB -0.397 18.603 19.000 -0.000 0.000 0.818 209 A HN 0.329 nan 8.150 nan 0.000 0.445 210 M N -0.697 118.889 119.600 -0.025 0.000 2.200 210 M HA -0.097 4.383 4.480 0.001 0.000 0.265 210 M C 2.169 178.450 176.300 -0.032 0.000 1.066 210 M CA 1.179 56.456 55.300 -0.038 0.000 1.127 210 M CB -0.459 32.102 32.600 -0.063 0.000 1.379 210 M HN 0.306 nan 8.290 nan 0.000 0.420 211 V N 0.157 120.058 119.914 -0.021 0.000 2.295 211 V HA -0.272 3.848 4.120 0.001 0.000 0.246 211 V C 2.295 178.383 176.094 -0.010 0.000 1.049 211 V CA 2.258 64.550 62.300 -0.014 0.000 1.024 211 V CB -1.187 30.640 31.823 0.007 0.000 0.648 211 V HN 0.493 nan 8.190 nan 0.000 0.447 212 T N -0.460 114.091 114.554 -0.005 0.000 2.708 212 T HA -0.248 4.102 4.350 0.001 0.000 0.266 212 T C 1.940 176.632 174.700 -0.013 0.000 1.037 212 T CA 1.768 63.865 62.100 -0.006 0.000 1.146 212 T CB -0.258 68.609 68.868 -0.002 0.000 0.865 212 T HN 0.456 nan 8.240 nan 0.000 0.435 213 K N 1.184 121.574 120.400 -0.017 0.000 2.160 213 K HA -0.098 4.222 4.320 0.001 0.000 0.206 213 K C 1.400 177.986 176.600 -0.025 0.000 1.047 213 K CA 1.169 57.443 56.287 -0.022 0.000 0.930 213 K CB -0.050 32.434 32.500 -0.026 0.000 0.720 213 K HN 0.201 nan 8.250 nan 0.000 0.450 214 N N 1.293 119.977 118.700 -0.026 0.000 2.276 214 N HA -0.048 4.693 4.740 0.001 0.000 0.212 214 N C -0.404 175.092 175.510 -0.023 0.000 1.127 214 N CA 0.159 53.192 53.050 -0.029 0.000 0.834 214 N CB 0.231 38.696 38.487 -0.037 0.000 1.014 214 N HN 0.229 nan 8.380 nan 0.000 0.491 215 N N 0.537 119.227 118.700 -0.018 0.000 2.708 215 N HA -0.227 4.513 4.740 0.001 0.000 0.249 215 N C 0.780 176.283 175.510 -0.011 0.000 1.097 215 N CA 1.067 54.109 53.050 -0.013 0.000 0.710 215 N CB -1.256 37.223 38.487 -0.014 0.000 1.032 215 N HN 0.515 nan 8.380 nan 0.000 0.551 216 G N -0.733 108.061 108.800 -0.011 0.000 2.168 216 G HA2 -0.340 3.621 3.960 0.001 0.000 0.263 216 G HA3 -0.340 3.621 3.960 0.001 0.000 0.263 216 G C -0.142 174.752 174.900 -0.011 0.000 0.977 216 G CA 0.322 45.418 45.100 -0.007 0.000 0.659 216 G HN 0.665 nan 8.290 nan 0.000 0.533 217 D N 0.628 121.017 120.400 -0.017 0.000 2.489 217 D HA 0.289 4.929 4.640 0.001 0.000 0.237 217 D C 1.859 178.141 176.300 -0.030 0.000 1.212 217 D CA -0.361 53.627 54.000 -0.021 0.000 1.058 217 D CB -0.025 40.761 40.800 -0.024 0.000 1.098 217 D HN 0.114 nan 8.370 nan 0.000 0.509 218 L N 2.495 123.704 121.223 -0.024 0.000 2.127 218 L HA -0.149 4.192 4.340 0.001 0.000 0.211 218 L C 1.906 178.747 176.870 -0.049 0.000 1.089 218 L CA 1.420 56.241 54.840 -0.032 0.000 0.757 218 L CB -0.421 41.630 42.059 -0.013 0.000 0.899 218 L HN 0.339 nan 8.230 nan 0.000 0.434 219 D N -0.685 119.694 120.400 -0.035 0.000 2.117 219 D HA -0.241 4.400 4.640 0.001 0.000 0.198 219 D C 2.286 178.544 176.300 -0.068 0.000 0.982 219 D CA 1.175 55.152 54.000 -0.037 0.000 0.828 219 D CB 0.038 40.831 40.800 -0.011 0.000 0.967 219 D HN 0.207 nan 8.370 nan 0.000 0.464 220 K N 0.090 120.454 120.400 -0.059 0.000 2.057 220 K HA -0.121 4.199 4.320 0.001 0.000 0.207 220 K C 1.991 178.529 176.600 -0.103 0.000 1.049 220 K CA 0.995 57.242 56.287 -0.067 0.000 0.931 220 K CB -0.045 32.426 32.500 -0.049 0.000 0.714 220 K HN 0.149 nan 8.250 nan 0.000 0.440 221 I N 1.938 122.444 120.570 -0.107 0.000 2.179 221 I HA -0.265 3.905 4.170 0.001 0.000 0.242 221 I C 2.103 178.088 176.117 -0.219 0.000 1.088 221 I CA 1.568 62.789 61.300 -0.131 0.000 1.357 221 I CB -0.952 36.983 38.000 -0.109 0.000 1.051 221 I HN 0.244 nan 8.210 nan 0.000 0.409 222 K N 0.326 120.560 120.400 -0.276 0.000 2.026 222 K HA -0.139 4.181 4.320 0.001 0.000 0.208 222 K C 2.069 178.129 176.600 -0.900 0.000 1.048 222 K CA 1.910 57.860 56.287 -0.563 0.000 0.929 222 K CB -0.435 31.813 32.500 -0.421 0.000 0.713 222 K HN 0.256 nan 8.250 nan 0.000 0.439 223 T N 0.893 115.168 114.554 -0.466 0.000 2.803 223 T HA -0.168 4.183 4.350 0.001 0.000 0.269 223 T C 1.823 176.407 174.700 -0.192 0.000 1.052 223 T CA 1.248 63.199 62.100 -0.248 0.000 1.136 223 T CB -0.114 68.718 68.868 -0.059 0.000 0.864 223 T HN 0.256 nan 8.240 nan 0.000 0.467 224 R N 0.079 120.462 120.500 -0.196 0.000 2.090 224 R HA -0.001 4.340 4.340 0.001 0.000 0.228 224 R C 2.244 178.477 176.300 -0.112 0.000 1.110 224 R CA 0.989 57.019 56.100 -0.117 0.000 0.973 224 R CB -0.113 30.127 30.300 -0.099 0.000 0.869 224 R HN 0.252 nan 8.270 nan 0.000 0.440 225 M N -0.425 119.054 119.600 -0.202 0.000 2.132 225 M HA -0.146 4.334 4.480 0.001 0.000 0.263 225 M C 1.925 178.241 176.300 0.027 0.000 1.065 225 M CA 1.483 56.715 55.300 -0.114 0.000 1.122 225 M CB -1.203 31.303 32.600 -0.156 0.000 1.365 225 M HN 0.220 nan 8.290 nan 0.000 0.411 226 Y N 0.643 120.944 120.300 0.002 0.000 2.128 226 Y HA -0.239 4.312 4.550 0.001 0.000 0.284 226 Y C 2.604 178.509 175.900 0.007 0.000 1.154 226 Y CA 0.351 58.454 58.100 0.006 0.000 1.149 226 Y CB -0.371 38.090 38.460 0.002 0.000 0.976 226 Y HN 0.263 nan 8.280 nan 0.000 0.505 227 E N 0.693 120.981 120.200 0.145 0.000 2.038 227 E HA -0.202 4.148 4.350 0.001 0.000 0.195 227 E C 2.185 178.821 176.600 0.061 0.000 1.000 227 E CA 1.308 57.756 56.400 0.080 0.000 0.803 227 E CB -0.510 29.211 29.700 0.036 0.000 0.750 227 E HN 0.552 nan 8.360 nan 0.000 0.448 228 I N 0.806 121.403 120.570 0.045 0.000 2.163 228 I HA -0.258 3.912 4.170 0.001 0.000 0.243 228 I C 2.475 178.633 176.117 0.068 0.000 1.085 228 I CA 0.957 62.281 61.300 0.041 0.000 1.347 228 I CB -0.452 37.562 38.000 0.024 0.000 1.044 228 I HN -0.065 nan 8.210 nan 0.000 0.408 229 V N 0.985 120.953 119.914 0.090 0.000 2.490 229 V HA -0.289 3.831 4.120 0.001 0.000 0.250 229 V C 2.212 178.370 176.094 0.107 0.000 1.061 229 V CA 2.157 64.521 62.300 0.108 0.000 1.064 229 V CB -1.099 30.796 31.823 0.121 0.000 0.670 229 V HN 0.546 nan 8.190 nan 0.000 0.461 230 N N 0.087 118.843 118.700 0.094 0.000 2.120 230 N HA -0.191 4.549 4.740 0.001 0.000 0.188 230 N C 1.767 177.323 175.510 0.076 0.000 1.024 230 N CA 1.904 55.000 53.050 0.077 0.000 0.852 230 N CB 0.024 38.549 38.487 0.062 0.000 1.003 230 N HN 0.485 nan 8.380 nan 0.000 0.424 231 T N 0.406 114.997 114.554 0.062 0.000 2.821 231 T HA -0.051 4.299 4.350 0.001 0.000 0.267 231 T C 2.031 176.778 174.700 0.078 0.000 1.046 231 T CA 0.725 62.850 62.100 0.043 0.000 1.139 231 T CB -0.176 68.697 68.868 0.008 0.000 0.871 231 T HN 0.047 nan 8.240 nan 0.000 0.454 232 V N 2.434 122.421 119.914 0.122 0.000 2.332 232 V HA -0.216 3.904 4.120 0.001 0.000 0.248 232 V C 2.487 178.773 176.094 0.320 0.000 1.055 232 V CA 1.980 64.413 62.300 0.221 0.000 1.038 232 V CB -0.768 31.192 31.823 0.230 0.000 0.651 232 V HN 0.501 nan 8.190 nan 0.000 0.450 233 N N 0.333 119.175 118.700 0.237 0.000 2.069 233 N HA -0.215 4.525 4.740 0.001 0.000 0.191 233 N C 1.805 177.474 175.510 0.265 0.000 1.031 233 N CA 2.000 55.204 53.050 0.257 0.000 0.852 233 N CB -0.168 38.420 38.487 0.170 0.000 1.018 233 N HN 0.578 nan 8.380 nan 0.000 0.423 234 E N -0.247 120.058 120.200 0.175 0.000 2.077 234 E HA -0.112 4.238 4.350 0.001 0.000 0.193 234 E C 1.973 178.660 176.600 0.144 0.000 0.989 234 E CA 1.003 57.485 56.400 0.138 0.000 0.800 234 E CB -0.106 29.633 29.700 0.065 0.000 0.746 234 E HN 0.472 nan 8.360 nan 0.000 0.452 235 I N -0.022 120.619 120.570 0.119 0.000 2.454 235 I HA -0.253 3.918 4.170 0.001 0.000 0.254 235 I C 1.306 177.518 176.117 0.158 0.000 1.156 235 I CA 1.061 62.385 61.300 0.041 0.000 1.433 235 I CB 0.005 37.957 38.000 -0.079 0.000 1.082 235 I HN 0.150 nan 8.210 nan 0.000 0.432 236 Y N 0.127 120.596 120.300 0.282 0.000 2.461 236 Y HA 0.120 4.670 4.550 0.001 0.000 0.277 236 Y C 2.233 178.291 175.900 0.265 0.000 1.182 236 Y CA 0.006 58.295 58.100 0.315 0.000 1.276 236 Y CB -0.199 38.405 38.460 0.241 0.000 1.087 236 Y HN -0.025 nan 8.280 nan 0.000 0.519 237 R N -0.838 119.876 120.500 0.358 0.000 2.080 237 R HA -0.272 4.069 4.340 0.001 0.000 0.236 237 R C 1.800 178.183 176.300 0.138 0.000 1.137 237 R CA 2.128 58.400 56.100 0.286 0.000 0.943 237 R CB -0.823 29.618 30.300 0.235 0.000 0.846 237 R HN 0.416 nan 8.270 nan 0.000 0.431 238 Y N 1.424 121.760 120.300 0.061 0.000 2.062 238 Y HA -0.301 4.249 4.550 0.001 0.000 0.276 238 Y C 1.998 177.964 175.900 0.109 0.000 1.189 238 Y CA 1.875 59.981 58.100 0.010 0.000 1.130 238 Y CB -0.154 38.379 38.460 0.123 0.000 0.959 238 Y HN 0.004 nan 8.280 nan 0.000 0.499 239 M N -1.230 118.555 119.600 0.309 0.000 2.686 239 M HA -0.079 4.402 4.480 0.001 0.000 0.246 239 M C -0.099 176.537 176.300 0.560 0.000 1.096 239 M CA 0.591 56.150 55.300 0.433 0.000 1.076 239 M CB -1.702 31.056 32.600 0.262 0.000 1.504 239 M HN 0.539 nan 8.290 nan 0.000 0.524 240 Y N 0.037 120.421 120.300 0.139 0.000 3.234 240 Y HA -0.206 4.344 4.550 0.001 0.000 0.207 240 Y C -0.102 175.787 175.900 -0.019 0.000 1.316 240 Y CA 0.149 58.038 58.100 -0.351 0.000 1.309 240 Y CB -1.920 36.373 38.460 -0.277 0.000 1.408 240 Y HN 0.258 nan 8.280 nan 0.000 0.544 241 I N 0.084 120.814 120.570 0.267 0.000 2.619 241 I HA 0.345 4.515 4.170 0.001 0.000 0.292 241 I C -0.190 175.965 176.117 0.065 0.000 1.100 241 I CA -0.903 60.477 61.300 0.134 0.000 1.043 241 I CB 1.753 39.750 38.000 -0.004 0.000 1.239 241 I HN 0.021 nan 8.210 nan 0.000 0.420 242 H N 4.645 123.715 119.070 0.000 0.000 2.492 242 H HA 0.589 5.146 4.556 0.001 0.000 0.345 242 H C -0.949 174.384 175.328 0.008 0.000 1.136 242 H CA -0.609 55.408 56.048 -0.052 0.000 1.202 242 H CB 2.652 32.273 29.762 -0.234 0.000 1.524 242 H HN 0.139 nan 8.280 nan 0.000 0.506 243 V N 1.822 121.854 119.914 0.196 0.000 2.444 243 V HA 0.622 4.743 4.120 0.001 0.000 0.294 243 V C -0.145 176.029 176.094 0.132 0.000 1.022 243 V CA -0.811 61.560 62.300 0.120 0.000 0.850 243 V CB 1.389 33.255 31.823 0.071 0.000 0.992 243 V HN 0.910 nan 8.190 nan 0.000 0.426 244 A N 4.724 127.621 122.820 0.128 0.000 2.359 244 A HA 0.797 5.117 4.320 0.001 0.000 0.303 244 A C -1.051 176.585 177.584 0.087 0.000 1.066 244 A CA -0.643 51.452 52.037 0.097 0.000 0.730 244 A CB 1.375 20.432 19.000 0.095 0.000 1.211 244 A HN 0.847 nan 8.150 nan 0.000 0.439 245 L N 4.159 125.428 121.223 0.076 0.000 2.385 245 L HA 0.380 4.720 4.340 0.001 0.000 0.281 245 L C 0.933 177.840 176.870 0.061 0.000 1.106 245 L CA 0.558 55.449 54.840 0.084 0.000 0.856 245 L CB 1.094 43.222 42.059 0.114 0.000 1.186 245 L HN 0.855 nan 8.230 nan 0.000 0.453 246 V N 2.196 122.148 119.914 0.064 0.000 3.528 246 V HA 0.719 4.840 4.120 0.001 0.000 0.294 246 V C 0.531 176.647 176.094 0.037 0.000 1.404 246 V CA 0.517 62.844 62.300 0.046 0.000 1.065 246 V CB -0.190 31.666 31.823 0.056 0.000 0.904 246 V HN 0.816 nan 8.190 nan 0.000 0.435 247 G N 0.399 109.223 108.800 0.041 0.000 2.732 247 G HA2 0.602 4.563 3.960 0.001 0.000 0.296 247 G HA3 0.602 4.563 3.960 0.001 0.000 0.296 247 G C -2.280 172.646 174.900 0.042 0.000 1.448 247 G CA -0.505 44.610 45.100 0.024 0.000 0.911 247 G HN 0.596 nan 8.290 nan 0.000 0.528 248 L N 0.514 121.768 121.223 0.051 0.000 2.541 248 L HA 0.719 5.059 4.340 0.001 0.000 0.266 248 L C -0.827 176.064 176.870 0.036 0.000 0.966 248 L CA -0.620 54.244 54.840 0.041 0.000 0.871 248 L CB 2.015 44.112 42.059 0.064 0.000 1.232 248 L HN 0.669 nan 8.230 nan 0.000 0.408 249 E N 5.516 125.724 120.200 0.014 0.000 2.165 249 E HA 0.513 4.863 4.350 0.001 0.000 0.266 249 E C -1.306 175.239 176.600 -0.093 0.000 0.889 249 E CA -0.746 55.677 56.400 0.040 0.000 0.756 249 E CB 1.199 31.004 29.700 0.174 0.000 1.131 249 E HN 0.577 nan 8.360 nan 0.000 0.411 250 I N 4.598 125.165 120.570 -0.005 0.000 2.328 250 I HA 0.143 4.314 4.170 0.001 0.000 0.287 250 I C -0.342 175.864 176.117 0.147 0.000 1.012 250 I CA -0.700 60.584 61.300 -0.027 0.000 1.195 250 I CB 0.292 38.291 38.000 -0.001 0.000 1.350 250 I HN 0.663 nan 8.210 nan 0.000 0.464 251 W N 5.456 126.740 121.300 -0.028 0.000 1.395 251 W HA 0.131 4.792 4.660 0.001 0.000 0.451 251 W C 1.673 178.173 176.519 -0.031 0.000 0.619 251 W CA -0.587 56.735 57.345 -0.038 0.000 2.212 251 W CB -0.909 28.500 29.460 -0.085 0.000 1.537 251 W HN 0.662 nan 8.180 nan 0.000 0.275 252 S N -1.235 114.569 115.700 0.173 0.000 2.447 252 S HA -0.198 4.273 4.470 0.001 0.000 0.233 252 S C 1.662 176.306 174.600 0.074 0.000 1.006 252 S CA 1.087 59.343 58.200 0.094 0.000 0.957 252 S CB 0.046 63.283 63.200 0.062 0.000 0.773 252 S HN 0.416 nan 8.310 nan 0.000 0.507 253 N N 1.538 120.284 118.700 0.077 0.000 2.176 253 N HA 0.056 4.796 4.740 0.001 0.000 0.187 253 N C -0.000 175.520 175.510 0.018 0.000 1.043 253 N CA 0.965 54.037 53.050 0.037 0.000 0.851 253 N CB 0.313 38.815 38.487 0.026 0.000 1.018 253 N HN 0.569 nan 8.380 nan 0.000 0.436 254 E N -0.003 120.195 120.200 -0.004 0.000 2.390 254 E HA 0.183 4.533 4.350 0.001 0.000 0.280 254 E C -1.773 174.737 176.600 -0.150 0.000 0.992 254 E CA -0.731 55.638 56.400 -0.052 0.000 0.790 254 E CB 1.610 31.260 29.700 -0.084 0.000 1.248 254 E HN 0.119 nan 8.360 nan 0.000 0.447 255 D N 1.449 121.769 120.400 -0.134 0.000 2.399 255 D HA 0.053 4.694 4.640 0.001 0.000 0.241 255 D C 0.336 176.158 176.300 -0.797 0.000 1.133 255 D CA 0.309 54.124 54.000 -0.308 0.000 0.890 255 D CB 0.988 41.790 40.800 0.004 0.000 1.201 255 D HN 0.280 nan 8.370 nan 0.000 0.432 256 K N 0.933 120.267 120.400 -1.777 0.000 2.417 256 K HA 0.195 4.515 4.320 0.001 0.000 0.196 256 K C 0.462 176.614 176.600 -0.747 0.000 1.023 256 K CA 0.160 55.696 56.287 -1.251 0.000 1.122 256 K CB 0.044 31.622 32.500 -1.537 0.000 0.850 256 K HN 0.468 nan 8.250 nan 0.000 0.521 257 I N -4.732 115.519 120.570 -0.532 0.000 3.181 257 I HA 0.283 4.454 4.170 0.001 0.000 0.311 257 I C -1.051 175.064 176.117 -0.003 0.000 1.287 257 I CA -1.010 60.217 61.300 -0.123 0.000 0.958 257 I CB 2.334 40.363 38.000 0.048 0.000 1.294 257 I HN -0.364 nan 8.210 nan 0.000 0.467 258 T N 3.024 117.655 114.554 0.129 0.000 2.727 258 T HA 0.371 4.721 4.350 0.001 0.000 0.298 258 T C -0.133 174.690 174.700 0.204 0.000 0.942 258 T CA -0.259 61.921 62.100 0.134 0.000 0.997 258 T CB 0.696 69.636 68.868 0.120 0.000 0.917 258 T HN 0.371 nan 8.240 nan 0.000 0.487 259 V N 6.373 126.369 119.914 0.137 0.000 2.387 259 V HA 0.223 4.343 4.120 0.001 0.000 0.260 259 V C 0.528 176.672 176.094 0.083 0.000 1.054 259 V CA -0.202 62.178 62.300 0.134 0.000 0.967 259 V CB -0.142 31.741 31.823 0.099 0.000 1.036 259 V HN 0.709 nan 8.190 nan 0.000 0.481 260 K N 6.983 127.444 120.400 0.102 0.000 2.156 260 K HA 0.456 4.776 4.320 0.001 0.000 0.250 260 K C -1.697 174.924 176.600 0.034 0.000 0.955 260 K CA -1.890 54.408 56.287 0.018 0.000 0.855 260 K CB 1.737 34.179 32.500 -0.096 0.000 1.101 260 K HN 0.219 nan 8.250 nan 0.000 0.434 261 P HA -0.149 nan 4.420 nan 0.000 0.234 261 P C -0.271 177.040 177.300 0.019 0.000 1.167 261 P CA 0.967 64.073 63.100 0.009 0.000 0.763 261 P CB 0.308 32.007 31.700 -0.003 0.000 0.835 262 E N 0.530 120.748 120.200 0.030 0.000 1.941 262 E HA 0.255 4.605 4.350 0.001 0.000 0.275 262 E C 1.132 177.790 176.600 0.096 0.000 1.113 262 E CA -0.306 56.126 56.400 0.052 0.000 0.878 262 E CB 0.727 30.455 29.700 0.046 0.000 1.070 262 E HN -0.044 nan 8.360 nan 0.000 0.399 263 A N 4.557 127.411 122.820 0.057 0.000 1.881 263 A HA -0.266 4.054 4.320 0.001 0.000 0.219 263 A C 2.015 179.632 177.584 0.055 0.000 1.215 263 A CA 2.228 54.291 52.037 0.044 0.000 0.648 263 A CB -1.191 17.813 19.000 0.008 0.000 0.832 263 A HN 0.738 nan 8.150 nan 0.000 0.455 264 G N -1.899 106.932 108.800 0.052 0.000 2.491 264 G HA2 -0.344 3.617 3.960 0.001 0.000 0.218 264 G HA3 -0.344 3.617 3.960 0.001 0.000 0.218 264 G C 1.567 176.519 174.900 0.086 0.000 1.180 264 G CA 1.499 46.625 45.100 0.044 0.000 0.774 264 G HN 0.681 nan 8.290 nan 0.000 0.562 265 Y N 1.734 122.058 120.300 0.039 0.000 2.097 265 Y HA -0.199 4.351 4.550 0.001 0.000 0.282 265 Y C 3.144 179.096 175.900 0.087 0.000 1.152 265 Y CA 2.566 60.702 58.100 0.061 0.000 1.136 265 Y CB -0.509 37.980 38.460 0.048 0.000 0.975 265 Y HN 0.204 nan 8.280 nan 0.000 0.498 266 T N 1.178 115.886 114.554 0.257 0.000 2.788 266 T HA -0.192 4.158 4.350 0.001 0.000 0.268 266 T C 1.750 176.528 174.700 0.131 0.000 1.044 266 T CA 1.444 63.660 62.100 0.195 0.000 1.139 266 T CB -0.586 68.396 68.868 0.190 0.000 0.867 266 T HN 0.343 nan 8.240 nan 0.000 0.454 267 L N 1.954 123.232 121.223 0.090 0.000 2.056 267 L HA 0.028 4.369 4.340 0.001 0.000 0.207 267 L C 2.066 179.063 176.870 0.212 0.000 1.078 267 L CA 1.769 56.681 54.840 0.121 0.000 0.749 267 L CB -0.859 41.156 42.059 -0.073 0.000 0.901 267 L HN 0.157 nan 8.230 nan 0.000 0.433 268 N N -0.273 118.499 118.700 0.119 0.000 2.120 268 N HA -0.175 4.566 4.740 0.001 0.000 0.188 268 N C 1.802 177.362 175.510 0.084 0.000 1.024 268 N CA 1.711 54.844 53.050 0.139 0.000 0.852 268 N CB -0.244 38.260 38.487 0.028 0.000 1.003 268 N HN 0.482 nan 8.380 nan 0.000 0.424 269 A N -0.446 122.356 122.820 -0.030 0.000 1.898 269 A HA -0.054 4.267 4.320 0.001 0.000 0.216 269 A C 2.114 179.851 177.584 0.255 0.000 1.181 269 A CA 1.057 53.102 52.037 0.014 0.000 0.620 269 A CB -1.140 17.785 19.000 -0.126 0.000 0.819 269 A HN 0.469 nan 8.150 nan 0.000 0.442 270 F N 1.430 121.485 119.950 0.176 0.000 2.095 270 F HA -0.065 4.462 4.527 0.000 0.000 0.298 270 F C 2.302 178.326 175.800 0.373 0.000 1.104 270 F CA 1.377 59.565 58.000 0.314 0.000 1.232 270 F CB -0.880 38.262 39.000 0.236 0.000 0.987 270 F HN 0.191 nan 8.300 nan 0.000 0.475 271 G N -0.033 108.897 108.800 0.216 0.000 2.440 271 G HA2 -0.243 3.717 3.960 0.001 0.000 0.218 271 G HA3 -0.243 3.717 3.960 0.001 0.000 0.218 271 G C 1.624 176.546 174.900 0.036 0.000 1.154 271 G CA 0.867 46.025 45.100 0.097 0.000 0.767 271 G HN 0.344 nan 8.290 nan 0.000 0.552 272 E N -0.219 120.038 120.200 0.094 0.000 2.051 272 E HA -0.136 4.214 4.350 0.001 0.000 0.192 272 E C 2.045 178.690 176.600 0.076 0.000 0.991 272 E CA 0.919 57.360 56.400 0.068 0.000 0.799 272 E CB -0.430 29.319 29.700 0.082 0.000 0.748 272 E HN 0.664 nan 8.360 nan 0.000 0.449 273 W N 2.554 123.844 121.300 -0.017 0.000 2.338 273 W HA -0.189 4.472 4.660 0.001 0.000 0.304 273 W C 2.329 178.822 176.519 -0.042 0.000 1.212 273 W CA 1.832 59.180 57.345 0.005 0.000 1.264 273 W CB -0.124 29.398 29.460 0.103 0.000 1.142 273 W HN -0.070 nan 8.180 nan 0.000 0.512 274 R N 1.164 121.550 120.500 -0.190 0.000 2.081 274 R HA -0.179 4.161 4.340 0.001 0.000 0.235 274 R C 2.235 178.347 176.300 -0.312 0.000 1.131 274 R CA 1.669 57.526 56.100 -0.405 0.000 0.960 274 R CB -0.801 29.293 30.300 -0.343 0.000 0.856 274 R HN 0.132 nan 8.270 nan 0.000 0.436 275 K N 0.326 120.605 120.400 -0.201 0.000 2.057 275 K HA -0.083 4.237 4.320 0.001 0.000 0.206 275 K C 1.728 178.227 176.600 -0.168 0.000 1.050 275 K CA 1.926 58.116 56.287 -0.162 0.000 0.935 275 K CB -0.174 32.260 32.500 -0.110 0.000 0.715 275 K HN 0.387 nan 8.250 nan 0.000 0.439 276 T N -1.976 112.474 114.554 -0.174 0.000 3.065 276 T HA 0.005 4.355 4.350 0.001 0.000 0.252 276 T C 1.167 175.741 174.700 -0.211 0.000 1.099 276 T CA 0.588 62.600 62.100 -0.147 0.000 1.063 276 T CB 0.367 69.188 68.868 -0.078 0.000 0.948 276 T HN 0.110 nan 8.240 nan 0.000 0.506 277 D N 0.106 120.268 120.400 -0.396 0.000 3.054 277 D HA 0.168 4.809 4.640 0.001 0.000 0.209 277 D C 1.698 177.724 176.300 -0.457 0.000 1.527 277 D CA -0.155 53.567 54.000 -0.464 0.000 1.427 277 D CB -0.396 39.955 40.800 -0.749 0.000 1.059 277 D HN 0.095 nan 8.370 nan 0.000 0.243 278 L N 1.385 122.139 121.223 -0.780 0.000 1.997 278 L HA -0.174 4.166 4.340 0.001 0.000 0.227 278 L C 2.397 179.193 176.870 -0.124 0.000 1.087 278 L CA 1.911 56.470 54.840 -0.468 0.000 0.797 278 L CB -1.242 40.471 42.059 -0.577 0.000 0.902 278 L HN 0.343 nan 8.230 nan 0.000 0.441 279 L N -1.088 120.112 121.223 -0.039 0.000 2.127 279 L HA -0.189 4.152 4.340 0.001 0.000 0.211 279 L C 2.436 179.286 176.870 -0.032 0.000 1.089 279 L CA 2.265 57.127 54.840 0.037 0.000 0.757 279 L CB -1.011 40.987 42.059 -0.101 0.000 0.899 279 L HN 0.416 nan 8.230 nan 0.000 0.434 280 T N -0.026 114.477 114.554 -0.085 0.000 2.759 280 T HA -0.205 4.145 4.350 0.001 0.000 0.269 280 T C 1.675 176.355 174.700 -0.034 0.000 1.042 280 T CA 1.879 63.940 62.100 -0.065 0.000 1.140 280 T CB -0.077 68.740 68.868 -0.084 0.000 0.864 280 T HN 0.583 nan 8.240 nan 0.000 0.455 281 R N -0.984 119.496 120.500 -0.033 0.000 2.437 281 R HA 0.345 4.685 4.340 0.001 0.000 0.257 281 R C 0.193 176.500 176.300 0.012 0.000 0.927 281 R CA -0.285 55.809 56.100 -0.009 0.000 1.078 281 R CB 0.584 30.878 30.300 -0.011 0.000 1.161 281 R HN -0.086 nan 8.270 nan 0.000 0.529 282 K N 2.197 122.620 120.400 0.038 0.000 2.578 282 K HA 0.267 4.588 4.320 0.001 0.000 0.250 282 K C -1.308 175.419 176.600 0.213 0.000 0.955 282 K CA -0.492 55.842 56.287 0.077 0.000 0.825 282 K CB 2.022 34.522 32.500 -0.000 0.000 1.151 282 K HN 0.043 nan 8.250 nan 0.000 0.432 283 K N 4.877 125.357 120.400 0.133 0.000 2.336 283 K HA 0.087 4.407 4.320 0.001 0.000 0.290 283 K C 0.155 176.869 176.600 0.189 0.000 1.067 283 K CA -0.046 56.308 56.287 0.112 0.000 0.962 283 K CB 0.139 32.664 32.500 0.042 0.000 1.008 283 K HN 0.592 nan 8.250 nan 0.000 0.467 284 H N 0.544 119.613 119.070 -0.002 0.000 3.037 284 H HA 0.222 4.778 4.556 0.001 0.000 0.355 284 H C -0.866 174.472 175.328 0.017 0.000 1.263 284 H CA -0.970 55.088 56.048 0.016 0.000 1.129 284 H CB 1.165 30.944 29.762 0.028 0.000 1.861 284 H HN 0.301 nan 8.280 nan 0.000 0.546 285 D N 0.025 120.416 120.400 -0.016 0.000 2.338 285 D HA 0.020 4.660 4.640 0.001 0.000 0.208 285 D C 0.209 176.494 176.300 -0.026 0.000 0.997 285 D CA 0.593 54.561 54.000 -0.053 0.000 0.880 285 D CB 0.937 41.754 40.800 0.028 0.000 0.980 285 D HN 0.497 nan 8.370 nan 0.000 0.509 286 N N -0.179 118.578 118.700 0.094 0.000 2.484 286 N HA 0.470 5.210 4.740 0.001 0.000 0.269 286 N C -2.007 173.684 175.510 0.302 0.000 1.237 286 N CA -0.353 52.788 53.050 0.152 0.000 0.838 286 N CB 2.651 41.206 38.487 0.113 0.000 1.593 286 N HN -0.085 nan 8.380 nan 0.000 0.485 287 A N 1.930 124.935 122.820 0.308 0.000 2.455 287 A HA 0.599 4.919 4.320 0.001 0.000 0.300 287 A C -1.445 176.424 177.584 0.475 0.000 1.040 287 A CA -0.585 51.684 52.037 0.388 0.000 0.697 287 A CB 1.704 20.955 19.000 0.418 0.000 1.265 287 A HN 0.519 nan 8.150 nan 0.000 0.407 288 Q N 0.838 120.854 119.800 0.360 0.000 2.375 288 Q HA 0.524 4.864 4.340 0.001 0.000 0.271 288 Q C -1.574 174.380 176.000 -0.077 0.000 1.074 288 Q CA -0.754 55.164 55.803 0.192 0.000 0.808 288 Q CB 2.560 31.359 28.738 0.102 0.000 1.327 288 Q HN 0.712 nan 8.270 nan 0.000 0.441 289 L N 2.685 123.623 121.223 -0.474 0.000 2.287 289 L HA 0.442 4.783 4.340 0.001 0.000 0.287 289 L C -1.534 175.096 176.870 -0.400 0.000 1.022 289 L CA -0.443 53.948 54.840 -0.747 0.000 0.814 289 L CB 0.871 42.056 42.059 -1.456 0.000 1.217 289 L HN 0.464 nan 8.230 nan 0.000 0.420 290 L N 4.573 125.605 121.223 -0.318 0.000 2.289 290 L HA 0.676 5.017 4.340 0.001 0.000 0.285 290 L C 0.278 177.030 176.870 -0.196 0.000 1.049 290 L CA 0.177 54.897 54.840 -0.201 0.000 0.804 290 L CB 1.724 43.694 42.059 -0.149 0.000 1.195 290 L HN 0.716 nan 8.230 nan 0.000 0.428 291 T N 1.436 115.911 114.554 -0.132 0.000 2.916 291 T HA 0.617 4.967 4.350 0.001 0.000 0.298 291 T C 0.607 175.277 174.700 -0.051 0.000 1.031 291 T CA -0.042 62.002 62.100 -0.093 0.000 0.993 291 T CB 1.506 70.326 68.868 -0.079 0.000 1.045 291 T HN 0.620 nan 8.240 nan 0.000 0.454 292 A N 4.763 127.560 122.820 -0.039 0.000 2.208 292 A HA 0.372 4.693 4.320 0.001 0.000 0.209 292 A C 0.941 178.518 177.584 -0.011 0.000 1.161 292 A CA 0.089 52.112 52.037 -0.023 0.000 0.782 292 A CB -0.552 18.434 19.000 -0.024 0.000 0.816 292 A HN 0.817 nan 8.150 nan 0.000 0.477 293 I N 0.904 121.467 120.570 -0.011 0.000 2.588 293 I HA 0.009 4.179 4.170 0.001 0.000 0.283 293 I C -0.123 175.996 176.117 0.002 0.000 1.119 293 I CA -0.237 61.061 61.300 -0.002 0.000 1.419 293 I CB 0.846 38.846 38.000 0.002 0.000 1.394 293 I HN 0.146 nan 8.210 nan 0.000 0.562 294 D N 7.406 127.810 120.400 0.007 0.000 2.352 294 D HA 0.250 4.890 4.640 0.001 0.000 0.245 294 D C -0.158 176.148 176.300 0.009 0.000 1.224 294 D CA -0.243 53.767 54.000 0.016 0.000 0.879 294 D CB 0.464 41.276 40.800 0.020 0.000 1.057 294 D HN 0.235 nan 8.370 nan 0.000 0.491 295 L N 3.240 124.466 121.223 0.005 0.000 2.482 295 L HA 0.075 4.416 4.340 0.001 0.000 0.273 295 L C 1.533 178.403 176.870 -0.001 0.000 1.228 295 L CA -0.541 54.300 54.840 0.001 0.000 0.827 295 L CB 0.362 42.416 42.059 -0.009 0.000 1.099 295 L HN 0.473 nan 8.230 nan 0.000 0.494 296 D N 1.062 121.463 120.400 0.000 0.000 1.852 296 D HA -0.111 4.529 4.640 0.001 0.000 0.277 296 D C 1.878 178.173 176.300 -0.008 0.000 1.056 296 D CA 1.093 55.092 54.000 -0.001 0.000 0.962 296 D CB -0.002 40.799 40.800 0.002 0.000 1.390 296 D HN 0.421 nan 8.370 nan 0.000 0.518 297 R N 0.308 120.803 120.500 -0.009 0.000 2.120 297 R HA -0.040 4.301 4.340 0.001 0.000 0.234 297 R C 0.925 177.205 176.300 -0.034 0.000 1.123 297 R CA 0.469 56.559 56.100 -0.017 0.000 0.975 297 R CB -0.407 29.886 30.300 -0.011 0.000 0.866 297 R HN 0.304 nan 8.270 nan 0.000 0.446 298 V N -2.297 117.594 119.914 -0.038 0.000 3.181 298 V HA 0.409 4.529 4.120 0.001 0.000 0.314 298 V C 0.974 177.017 176.094 -0.086 0.000 1.173 298 V CA -0.860 61.400 62.300 -0.067 0.000 1.052 298 V CB 1.766 33.560 31.823 -0.047 0.000 1.123 298 V HN 0.126 nan 8.190 nan 0.000 0.454 299 I N -2.162 118.324 120.570 -0.140 0.000 4.147 299 I HA 0.836 5.006 4.170 0.001 0.000 0.329 299 I C 0.457 176.506 176.117 -0.114 0.000 1.424 299 I CA 0.154 61.359 61.300 -0.159 0.000 1.127 299 I CB 0.431 38.210 38.000 -0.368 0.000 1.128 299 I HN 0.947 nan 8.210 nan 0.000 0.417 300 G N 1.534 110.289 108.800 -0.076 0.000 2.616 300 G HA2 0.595 4.555 3.960 0.001 0.000 0.294 300 G HA3 0.595 4.555 3.960 0.001 0.000 0.294 300 G C -2.369 172.544 174.900 0.021 0.000 1.489 300 G CA -0.564 44.523 45.100 -0.022 0.000 0.836 300 G HN 0.084 nan 8.290 nan 0.000 0.527 301 L N 0.327 121.572 121.223 0.036 0.000 2.592 301 L HA 0.902 5.242 4.340 0.001 0.000 0.258 301 L C -0.646 176.216 176.870 -0.014 0.000 0.926 301 L CA 0.139 54.985 54.840 0.011 0.000 0.885 301 L CB 1.963 43.995 42.059 -0.046 0.000 1.380 301 L HN 1.852 nan 8.230 nan 0.000 0.415 302 A N 2.562 125.348 122.820 -0.055 0.000 2.604 302 A HA 0.703 5.023 4.320 0.001 0.000 0.295 302 A C -1.853 175.612 177.584 -0.200 0.000 1.067 302 A CA -0.547 51.438 52.037 -0.087 0.000 0.683 302 A CB 0.718 19.792 19.000 0.123 0.000 1.281 302 A HN 0.520 nan 8.150 nan 0.000 0.407 303 Y N 0.014 120.307 120.300 -0.011 0.000 2.426 303 Y HA 0.396 4.947 4.550 0.000 0.000 0.344 303 Y C 0.782 176.617 175.900 -0.108 0.000 1.256 303 Y CA 0.168 58.222 58.100 -0.077 0.000 1.451 303 Y CB 0.624 39.041 38.460 -0.072 0.000 1.342 303 Y HN 0.374 nan 8.280 nan 0.000 0.600 304 V N 0.792 120.711 119.914 0.008 0.000 2.483 304 V HA 0.501 4.622 4.120 0.001 0.000 0.295 304 V C 0.483 176.455 176.094 -0.204 0.000 1.035 304 V CA -0.679 61.559 62.300 -0.103 0.000 0.896 304 V CB 0.961 32.706 31.823 -0.130 0.000 0.986 304 V HN 0.998 nan 8.190 nan 0.000 0.447 305 G N 4.110 112.635 108.800 -0.458 0.000 2.350 305 G HA2 -0.217 3.743 3.960 0.001 0.000 0.298 305 G HA3 -0.217 3.743 3.960 0.001 0.000 0.298 305 G C 0.462 175.121 174.900 -0.401 0.000 1.037 305 G CA 0.597 45.123 45.100 -0.957 0.000 1.074 305 G HN 1.356 nan 8.290 nan 0.000 0.511 306 S N -1.209 114.347 115.700 -0.239 0.000 2.701 306 S HA 0.487 4.958 4.470 0.001 0.000 0.242 306 S C 1.005 175.659 174.600 0.089 0.000 1.025 306 S CA -0.251 57.934 58.200 -0.026 0.000 1.016 306 S CB 0.303 63.453 63.200 -0.084 0.000 0.977 306 S HN 0.338 nan 8.310 nan 0.000 0.546 307 M N 1.714 121.375 119.600 0.101 0.000 2.226 307 M HA 0.032 4.512 4.480 0.001 0.000 0.352 307 M C 1.044 177.425 176.300 0.135 0.000 1.226 307 M CA 0.674 56.052 55.300 0.130 0.000 0.943 307 M CB -0.914 31.798 32.600 0.187 0.000 1.805 307 M HN 0.759 nan 8.290 nan 0.000 0.465 308 c N 0.733 119.373 118.600 0.067 0.000 5.467 308 c HA -0.228 4.343 4.570 0.001 0.000 0.269 308 c C 0.825 174.914 174.090 -0.002 0.000 1.868 308 c CA 0.744 57.083 56.329 0.016 0.000 1.676 308 c CB -3.104 39.419 42.510 0.023 0.000 2.513 308 c HN 0.983 nan 8.230 nan 0.000 0.533 309 H N 3.935 122.980 119.070 -0.040 0.000 3.004 309 H HA 0.205 4.761 4.556 0.001 0.000 0.316 309 H C -0.297 174.968 175.328 -0.105 0.000 1.014 309 H CA 0.197 56.199 56.048 -0.076 0.000 1.454 309 H CB 0.931 30.633 29.762 -0.099 0.000 1.472 309 H HN 0.267 nan 8.280 nan 0.000 0.571 310 P HA -0.270 nan 4.420 nan 0.000 0.216 310 P C 0.926 178.140 177.300 -0.144 0.000 1.154 310 P CA 1.941 64.875 63.100 -0.277 0.000 0.865 310 P CB 0.359 31.866 31.700 -0.322 0.000 0.789 311 K N -0.542 119.843 120.400 -0.025 0.000 2.287 311 K HA 0.093 4.413 4.320 0.001 0.000 0.199 311 K C 2.242 178.858 176.600 0.027 0.000 1.061 311 K CA 0.054 56.364 56.287 0.038 0.000 0.976 311 K CB 0.212 32.733 32.500 0.036 0.000 0.898 311 K HN -0.115 nan 8.250 nan 0.000 0.492 312 R N 0.431 120.959 120.500 0.047 0.000 2.275 312 R HA 0.079 4.420 4.340 0.001 0.000 0.199 312 R C 0.978 177.283 176.300 0.008 0.000 0.989 312 R CA 0.262 56.106 56.100 -0.427 0.000 1.016 312 R CB 0.184 29.942 30.300 -0.905 0.000 0.918 312 R HN -0.039 nan 8.270 nan 0.000 0.473 313 S N 1.607 117.363 115.700 0.094 0.000 3.864 313 S HA 0.013 4.483 4.470 0.001 0.000 0.202 313 S C -0.194 174.512 174.600 0.177 0.000 1.402 313 S CA -0.081 58.189 58.200 0.118 0.000 1.072 313 S CB -0.597 62.642 63.200 0.065 0.000 1.383 313 S HN 0.386 nan 8.310 nan 0.000 0.458 314 T N -1.496 113.231 114.554 0.288 0.000 2.762 314 T HA 0.836 5.187 4.350 0.001 0.000 0.301 314 T C -0.256 174.659 174.700 0.358 0.000 1.299 314 T CA -0.430 61.890 62.100 0.365 0.000 1.005 314 T CB 1.490 70.617 68.868 0.431 0.000 1.377 314 T HN 0.423 nan 8.240 nan 0.000 0.504 315 G N -0.002 109.005 108.800 0.345 0.000 2.632 315 G HA2 0.621 4.581 3.960 0.001 0.000 0.292 315 G HA3 0.621 4.581 3.960 0.001 0.000 0.292 315 G C -1.449 173.514 174.900 0.105 0.000 1.465 315 G CA -0.759 44.454 45.100 0.188 0.000 0.824 315 G HN 1.375 nan 8.290 nan 0.000 0.509 316 I N -1.519 119.060 120.570 0.014 0.000 2.530 316 I HA 0.846 5.017 4.170 0.001 0.000 0.297 316 I C -1.051 175.033 176.117 -0.054 0.000 1.011 316 I CA -1.376 59.869 61.300 -0.091 0.000 1.107 316 I CB 2.209 40.146 38.000 -0.106 0.000 1.285 316 I HN 0.331 nan 8.210 nan 0.000 0.436 317 I N 4.582 125.102 120.570 -0.084 0.000 2.466 317 I HA 0.318 4.488 4.170 0.001 0.000 0.289 317 I C -0.396 175.688 176.117 -0.055 0.000 1.026 317 I CA -0.508 60.762 61.300 -0.049 0.000 1.078 317 I CB 2.035 40.017 38.000 -0.030 0.000 1.249 317 I HN 0.704 nan 8.210 nan 0.000 0.429 318 Q N 4.276 124.057 119.800 -0.033 0.000 2.288 318 Q HA 0.081 4.422 4.340 0.001 0.000 0.254 318 Q C -0.396 175.622 176.000 0.030 0.000 0.932 318 Q CA -0.462 55.337 55.803 -0.007 0.000 0.902 318 Q CB 1.261 30.005 28.738 0.010 0.000 1.203 318 Q HN 0.528 nan 8.270 nan 0.000 0.415 319 D N 3.383 123.794 120.400 0.018 0.000 2.600 319 D HA -0.063 4.577 4.640 0.001 0.000 0.226 319 D C 0.361 176.699 176.300 0.064 0.000 1.119 319 D CA 0.146 54.158 54.000 0.021 0.000 1.051 319 D CB -0.333 40.457 40.800 -0.018 0.000 1.106 319 D HN 0.603 nan 8.370 nan 0.000 0.491 320 Y N 2.020 122.291 120.300 -0.049 0.000 2.181 320 Y HA -0.036 4.514 4.550 0.001 0.000 0.288 320 Y C 0.704 176.577 175.900 -0.044 0.000 1.146 320 Y CA 1.109 59.181 58.100 -0.047 0.000 1.164 320 Y CB 0.155 38.584 38.460 -0.051 0.000 0.982 320 Y HN 0.239 nan 8.280 nan 0.000 0.515 321 S N -1.177 114.465 115.700 -0.098 0.000 2.579 321 S HA 0.285 4.756 4.470 0.001 0.000 0.272 321 S C 0.138 174.683 174.600 -0.091 0.000 1.141 321 S CA -0.736 57.346 58.200 -0.197 0.000 0.843 321 S CB 1.402 64.463 63.200 -0.232 0.000 1.122 321 S HN 0.216 nan 8.310 nan 0.000 0.468 322 E N 1.605 121.747 120.200 -0.097 0.000 2.482 322 E HA 0.147 4.498 4.350 0.001 0.000 0.196 322 E C 0.049 176.617 176.600 -0.054 0.000 1.047 322 E CA 0.369 56.729 56.400 -0.066 0.000 0.869 322 E CB -0.093 29.568 29.700 -0.066 0.000 0.836 322 E HN 0.627 nan 8.360 nan 0.000 0.520 323 I N 2.831 123.367 120.570 -0.056 0.000 2.421 323 I HA -0.022 4.148 4.170 0.001 0.000 0.291 323 I C 1.318 177.417 176.117 -0.030 0.000 1.089 323 I CA -0.284 60.990 61.300 -0.043 0.000 1.354 323 I CB 0.407 38.380 38.000 -0.046 0.000 1.413 323 I HN -0.179 nan 8.210 nan 0.000 0.513 324 N N 4.402 123.085 118.700 -0.028 0.000 2.272 324 N HA -0.187 4.553 4.740 0.001 0.000 0.185 324 N C 1.652 177.149 175.510 -0.021 0.000 1.014 324 N CA 1.079 54.116 53.050 -0.021 0.000 0.870 324 N CB -0.094 38.383 38.487 -0.017 0.000 0.975 324 N HN 0.566 nan 8.380 nan 0.000 0.433 325 L N 0.775 121.978 121.223 -0.033 0.000 2.093 325 L HA -0.045 4.295 4.340 0.001 0.000 0.208 325 L C 1.950 178.795 176.870 -0.043 0.000 1.085 325 L CA 1.081 55.891 54.840 -0.050 0.000 0.755 325 L CB -0.335 41.683 42.059 -0.068 0.000 0.904 325 L HN -0.139 nan 8.230 nan 0.000 0.435 326 V N -1.267 118.635 119.914 -0.020 0.000 2.307 326 V HA -0.239 3.882 4.120 0.001 0.000 0.245 326 V C 2.454 178.564 176.094 0.026 0.000 1.045 326 V CA 1.688 63.997 62.300 0.014 0.000 1.024 326 V CB -0.601 31.256 31.823 0.056 0.000 0.651 326 V HN 0.318 nan 8.190 nan 0.000 0.449 327 V N 0.418 120.348 119.914 0.026 0.000 2.515 327 V HA -0.192 3.929 4.120 0.001 0.000 0.250 327 V C 2.693 178.795 176.094 0.014 0.000 1.058 327 V CA 1.737 64.053 62.300 0.026 0.000 1.064 327 V CB -1.066 30.767 31.823 0.016 0.000 0.675 327 V HN 0.545 nan 8.190 nan 0.000 0.461 328 A N -0.314 122.508 122.820 0.003 0.000 1.972 328 A HA -0.136 4.185 4.320 0.001 0.000 0.219 328 A C 2.380 179.961 177.584 -0.005 0.000 1.169 328 A CA 1.901 53.944 52.037 0.009 0.000 0.635 328 A CB -0.494 18.502 19.000 -0.006 0.000 0.810 328 A HN 0.347 nan 8.150 nan 0.000 0.446 329 V N 0.755 120.646 119.914 -0.038 0.000 2.323 329 V HA -0.202 3.918 4.120 0.001 0.000 0.244 329 V C 2.439 178.519 176.094 -0.024 0.000 1.041 329 V CA 1.625 63.882 62.300 -0.072 0.000 1.025 329 V CB -0.578 31.184 31.823 -0.101 0.000 0.656 329 V HN 0.535 nan 8.190 nan 0.000 0.451 330 I N -0.358 120.199 120.570 -0.022 0.000 2.163 330 I HA -0.345 3.825 4.170 0.001 0.000 0.243 330 I C 2.430 178.595 176.117 0.080 0.000 1.085 330 I CA 2.184 63.476 61.300 -0.014 0.000 1.347 330 I CB -1.155 36.823 38.000 -0.036 0.000 1.044 330 I HN 0.362 nan 8.210 nan 0.000 0.408 331 M N 0.941 120.586 119.600 0.075 0.000 2.080 331 M HA -0.198 4.283 4.480 0.001 0.000 0.260 331 M C 2.423 178.835 176.300 0.187 0.000 1.068 331 M CA 2.383 57.752 55.300 0.116 0.000 1.109 331 M CB -0.133 32.526 32.600 0.098 0.000 1.342 331 M HN 0.232 nan 8.290 nan 0.000 0.405 332 A N -1.225 121.711 122.820 0.194 0.000 1.978 332 A HA -0.264 4.056 4.320 0.001 0.000 0.220 332 A C 1.769 179.533 177.584 0.299 0.000 1.170 332 A CA 2.193 54.422 52.037 0.319 0.000 0.636 332 A CB -1.183 17.865 19.000 0.079 0.000 0.810 332 A HN 0.794 nan 8.150 nan 0.000 0.448 333 H N -0.424 118.685 119.070 0.065 0.000 2.326 333 H HA -0.066 4.491 4.556 0.001 0.000 0.301 333 H C 1.964 177.300 175.328 0.013 0.000 1.081 333 H CA 1.743 57.798 56.048 0.012 0.000 1.334 333 H CB 0.138 29.879 29.762 -0.036 0.000 1.385 333 H HN 0.363 nan 8.280 nan 0.000 0.504 334 E N 0.250 120.594 120.200 0.241 0.000 2.106 334 E HA -0.146 4.205 4.350 0.001 0.000 0.192 334 E C 2.252 178.950 176.600 0.163 0.000 0.984 334 E CA 0.984 57.518 56.400 0.224 0.000 0.806 334 E CB -0.211 29.608 29.700 0.199 0.000 0.750 334 E HN 0.635 nan 8.360 nan 0.000 0.458 335 M N 0.013 119.717 119.600 0.173 0.000 2.319 335 M HA -0.016 4.464 4.480 0.001 0.000 0.265 335 M C 2.218 178.592 176.300 0.123 0.000 1.068 335 M CA 1.230 56.615 55.300 0.143 0.000 1.118 335 M CB -0.372 32.314 32.600 0.144 0.000 1.395 335 M HN 0.125 nan 8.290 nan 0.000 0.435 336 G N -0.111 108.788 108.800 0.165 0.000 2.459 336 G HA2 -0.242 3.718 3.960 0.001 0.000 0.217 336 G HA3 -0.242 3.718 3.960 0.001 0.000 0.217 336 G C 1.221 176.063 174.900 -0.096 0.000 1.183 336 G CA 0.873 46.011 45.100 0.063 0.000 0.776 336 G HN 0.392 nan 8.290 nan 0.000 0.552 337 H N 0.771 119.792 119.070 -0.080 0.000 2.353 337 H HA -0.073 4.483 4.556 0.001 0.000 0.298 337 H C 2.608 177.835 175.328 -0.169 0.000 1.103 337 H CA 1.464 57.428 56.048 -0.139 0.000 1.293 337 H CB -0.617 29.082 29.762 -0.106 0.000 1.372 337 H HN 0.459 nan 8.280 nan 0.000 0.501 338 N N 0.448 119.164 118.700 0.027 0.000 2.149 338 N HA -0.123 4.617 4.740 0.001 0.000 0.188 338 N C 1.111 176.466 175.510 -0.258 0.000 1.019 338 N CA 0.412 53.430 53.050 -0.053 0.000 0.857 338 N CB -0.098 38.408 38.487 0.031 0.000 0.997 338 N HN 0.181 nan 8.380 nan 0.000 0.426 339 L N 0.360 121.437 121.223 -0.243 0.000 2.682 339 L HA 0.153 4.494 4.340 0.001 0.000 0.240 339 L C 1.173 177.695 176.870 -0.580 0.000 1.178 339 L CA -0.130 54.506 54.840 -0.339 0.000 0.970 339 L CB -0.323 41.627 42.059 -0.181 0.000 1.179 339 L HN 0.259 nan 8.230 nan 0.000 0.435 340 G N 0.330 108.668 108.800 -0.770 0.000 2.162 340 G HA2 -0.295 3.665 3.960 0.001 0.000 0.260 340 G HA3 -0.295 3.665 3.960 0.001 0.000 0.260 340 G C 0.308 175.083 174.900 -0.208 0.000 0.976 340 G CA -0.099 44.619 45.100 -0.637 0.000 0.655 340 G HN 0.352 nan 8.290 nan 0.000 0.533 341 I N 1.154 121.634 120.570 -0.150 0.000 2.428 341 I HA 0.274 4.444 4.170 0.001 0.000 0.289 341 I C 0.449 176.568 176.117 0.003 0.000 1.019 341 I CA -0.685 60.575 61.300 -0.067 0.000 1.351 341 I CB 0.737 38.675 38.000 -0.102 0.000 1.412 341 I HN 0.046 nan 8.210 nan 0.000 0.513 342 N N 3.650 122.363 118.700 0.023 0.000 2.518 342 N HA 0.362 5.102 4.740 0.001 0.000 0.284 342 N C -0.567 174.979 175.510 0.061 0.000 1.230 342 N CA -0.769 52.293 53.050 0.021 0.000 0.941 342 N CB 0.833 39.330 38.487 0.016 0.000 1.219 342 N HN 0.519 nan 8.380 nan 0.000 0.560 343 H N -0.004 119.171 119.070 0.176 0.000 2.790 343 H HA 0.029 4.585 4.556 0.001 0.000 0.358 343 H C -0.204 175.193 175.328 0.115 0.000 1.103 343 H CA -0.154 55.983 56.048 0.148 0.000 1.426 343 H CB 0.648 30.513 29.762 0.173 0.000 1.424 343 H HN 0.310 nan 8.280 nan 0.000 0.599 344 D N 1.006 121.554 120.400 0.248 0.000 2.368 344 D HA 0.126 4.766 4.640 0.001 0.000 0.240 344 D C -0.111 176.272 176.300 0.139 0.000 1.169 344 D CA 0.336 54.439 54.000 0.171 0.000 0.906 344 D CB 1.113 41.998 40.800 0.141 0.000 1.187 344 D HN 0.613 nan 8.370 nan 0.000 0.435 345 S N -1.131 114.636 115.700 0.111 0.000 2.556 345 S HA 0.567 5.038 4.470 0.001 0.000 0.280 345 S C 0.410 175.038 174.600 0.048 0.000 1.141 345 S CA -0.210 58.034 58.200 0.074 0.000 0.883 345 S CB 1.602 64.853 63.200 0.086 0.000 1.103 345 S HN 0.768 nan 8.310 nan 0.000 0.453 346 G N 2.022 110.807 108.800 -0.025 0.000 2.602 346 G HA2 -0.346 3.614 3.960 0.001 0.000 0.310 346 G HA3 -0.346 3.614 3.960 0.001 0.000 0.310 346 G C 0.074 174.861 174.900 -0.187 0.000 1.183 346 G CA 0.738 45.751 45.100 -0.145 0.000 0.979 346 G HN 1.263 nan 8.290 nan 0.000 0.545 347 Y N 1.767 122.102 120.300 0.059 0.000 2.871 347 Y HA 0.411 4.962 4.550 0.001 0.000 0.378 347 Y C 1.279 177.227 175.900 0.080 0.000 1.069 347 Y CA -0.330 57.806 58.100 0.061 0.000 1.662 347 Y CB -0.359 38.136 38.460 0.057 0.000 1.561 347 Y HN 0.513 nan 8.280 nan 0.000 0.483 348 c N -0.003 118.694 118.600 0.161 0.000 2.355 348 c HA 0.724 5.295 4.570 0.001 0.000 0.332 348 c C 0.388 174.550 174.090 0.120 0.000 1.255 348 c CA -0.674 55.750 56.329 0.159 0.000 1.792 348 c CB 0.968 43.569 42.510 0.151 0.000 2.300 348 c HN 0.470 nan 8.230 nan 0.000 0.515 349 S N 0.188 115.960 115.700 0.119 0.000 2.556 349 S HA 0.648 5.118 4.470 0.001 0.000 0.271 349 S C -0.047 174.588 174.600 0.058 0.000 1.135 349 S CA -0.435 57.811 58.200 0.077 0.000 0.858 349 S CB 1.152 64.390 63.200 0.063 0.000 1.114 349 S HN 1.101 nan 8.310 nan 0.000 0.468 350 c N 0.971 119.592 118.600 0.035 0.000 3.626 350 c HA 0.818 5.388 4.570 0.001 0.000 0.276 350 c C 1.053 175.124 174.090 -0.031 0.000 1.694 350 c CA 0.022 56.349 56.329 -0.003 0.000 1.785 350 c CB -0.899 41.659 42.510 0.079 0.000 3.152 350 c HN 1.674 nan 8.230 nan 0.000 0.571 351 G N 2.092 110.860 108.800 -0.054 0.000 2.384 351 G HA2 0.113 4.073 3.960 0.001 0.000 0.668 351 G HA3 0.113 4.073 3.960 0.001 0.000 0.668 351 G C -0.403 174.345 174.900 -0.253 0.000 1.280 351 G CA 0.131 45.125 45.100 -0.176 0.000 0.992 351 G HN 0.591 nan 8.290 nan 0.000 0.512 352 D N -0.384 119.713 120.400 -0.504 0.000 2.396 352 D HA 0.254 4.894 4.640 0.001 0.000 0.255 352 D C 0.289 176.364 176.300 -0.375 0.000 1.224 352 D CA 0.443 54.211 54.000 -0.386 0.000 0.894 352 D CB -0.440 40.146 40.800 -0.357 0.000 0.939 352 D HN 0.423 nan 8.370 nan 0.000 0.506 353 Y N 0.348 120.666 120.300 0.030 0.000 2.596 353 Y HA 0.613 5.163 4.550 0.001 0.000 0.326 353 Y C 0.627 176.557 175.900 0.050 0.000 1.167 353 Y CA -2.101 56.042 58.100 0.072 0.000 1.246 353 Y CB 0.808 39.389 38.460 0.201 0.000 1.347 353 Y HN -0.025 nan 8.280 nan 0.000 0.515 354 A N 0.722 123.676 122.820 0.223 0.000 2.310 354 A HA 0.474 4.794 4.320 0.001 0.000 0.300 354 A C -0.469 177.165 177.584 0.084 0.000 1.269 354 A CA -0.647 51.450 52.037 0.102 0.000 0.909 354 A CB -0.989 18.041 19.000 0.049 0.000 1.144 354 A HN 0.815 nan 8.150 nan 0.000 0.540 355 c N 2.362 121.006 118.600 0.074 0.000 2.656 355 c HA 0.192 4.763 4.570 0.001 0.000 0.391 355 c C 2.178 176.259 174.090 -0.016 0.000 1.300 355 c CA -0.445 55.912 56.329 0.048 0.000 2.302 355 c CB -0.323 42.236 42.510 0.081 0.000 2.655 355 c HN 0.846 nan 8.230 nan 0.000 0.656 356 I N 1.098 121.599 120.570 -0.114 0.000 2.226 356 I HA -0.161 4.009 4.170 0.001 0.000 0.245 356 I C 1.902 178.086 176.117 0.113 0.000 1.100 356 I CA 1.530 62.733 61.300 -0.161 0.000 1.374 356 I CB -0.245 37.379 38.000 -0.627 0.000 1.057 356 I HN 0.618 nan 8.210 nan 0.000 0.413 357 M N 0.719 120.392 119.600 0.122 0.000 2.639 357 M HA 0.098 4.578 4.480 0.001 0.000 0.220 357 M C 0.579 177.049 176.300 0.283 0.000 1.155 357 M CA 0.351 55.767 55.300 0.194 0.000 1.003 357 M CB -1.252 31.428 32.600 0.134 0.000 1.725 357 M HN 0.067 nan 8.290 nan 0.000 0.489 358 R N 1.742 122.344 120.500 0.170 0.000 2.594 358 R HA 0.070 4.410 4.340 0.001 0.000 0.272 358 R C -1.171 175.101 176.300 -0.047 0.000 1.074 358 R CA -1.033 55.105 56.100 0.064 0.000 1.105 358 R CB 0.312 30.618 30.300 0.009 0.000 1.008 358 R HN 0.025 nan 8.270 nan 0.000 0.472 359 P HA -0.123 nan 4.420 nan 0.000 0.231 359 P C -0.515 176.601 177.300 -0.306 0.000 1.158 359 P CA 1.314 64.108 63.100 -0.511 0.000 0.763 359 P CB 0.306 31.787 31.700 -0.366 0.000 0.805 360 E N -0.206 119.871 120.200 -0.206 0.000 2.293 360 E HA 0.357 4.707 4.350 0.001 0.000 0.270 360 E C -0.909 175.585 176.600 -0.177 0.000 0.879 360 E CA -1.375 54.915 56.400 -0.182 0.000 0.756 360 E CB 2.121 31.750 29.700 -0.118 0.000 1.208 360 E HN -0.023 nan 8.360 nan 0.000 0.428 361 I N 1.878 122.325 120.570 -0.206 0.000 2.519 361 I HA 0.123 4.294 4.170 0.001 0.000 0.287 361 I C 0.148 176.210 176.117 -0.090 0.000 1.047 361 I CA -0.156 61.040 61.300 -0.173 0.000 1.381 361 I CB 0.968 38.834 38.000 -0.224 0.000 1.417 361 I HN 0.713 nan 8.210 nan 0.000 0.540 362 S N 7.396 123.062 115.700 -0.056 0.000 2.617 362 S HA 0.509 4.979 4.470 0.001 0.000 0.283 362 S C -1.679 172.921 174.600 0.001 0.000 1.189 362 S CA -1.186 57.000 58.200 -0.022 0.000 1.036 362 S CB 1.468 64.661 63.200 -0.013 0.000 1.014 362 S HN 0.593 nan 8.310 nan 0.000 0.522 363 P HA 0.015 nan 4.420 nan 0.000 0.237 363 P C 0.167 177.471 177.300 0.007 0.000 1.178 363 P CA 0.802 63.915 63.100 0.021 0.000 0.766 363 P CB -0.001 31.708 31.700 0.016 0.000 0.876 364 E N 0.721 120.923 120.200 0.003 0.000 3.896 364 E HA 0.270 4.620 4.350 0.001 0.000 0.217 364 E C -2.355 174.237 176.600 -0.012 0.000 1.150 364 E CA -2.269 54.131 56.400 0.001 0.000 1.338 364 E CB 0.407 30.118 29.700 0.020 0.000 1.242 364 E HN 0.090 nan 8.360 nan 0.000 0.435 365 P HA -0.045 nan 4.420 nan 0.000 0.264 365 P C -0.380 176.844 177.300 -0.126 0.000 1.183 365 P CA 0.300 63.356 63.100 -0.073 0.000 0.763 365 P CB 1.086 32.740 31.700 -0.076 0.000 0.807 366 S N 0.696 116.297 115.700 -0.166 0.000 2.747 366 S HA 0.507 4.977 4.470 0.001 0.000 0.300 366 S C 0.655 174.963 174.600 -0.486 0.000 1.121 366 S CA -0.167 57.836 58.200 -0.328 0.000 0.995 366 S CB 0.789 63.864 63.200 -0.209 0.000 1.113 366 S HN 0.444 nan 8.310 nan 0.000 0.547 367 T N -0.973 113.060 114.554 -0.868 0.000 3.223 367 T HA 0.404 4.755 4.350 0.001 0.000 0.259 367 T C -0.468 173.728 174.700 -0.840 0.000 1.015 367 T CA -0.473 61.157 62.100 -0.783 0.000 0.908 367 T CB -1.191 67.256 68.868 -0.703 0.000 1.054 367 T HN 0.468 nan 8.240 nan 0.000 0.567 368 F N 0.798 120.557 119.950 -0.318 0.000 2.469 368 F HA 0.655 5.182 4.527 0.001 0.000 0.332 368 F C -0.034 175.558 175.800 -0.348 0.000 1.103 368 F CA -1.859 55.950 58.000 -0.320 0.000 0.979 368 F CB 1.144 40.006 39.000 -0.231 0.000 1.137 368 F HN -0.024 nan 8.300 nan 0.000 0.463 369 F N 0.983 120.890 119.950 -0.072 0.000 2.377 369 F HA 0.398 4.926 4.527 0.001 0.000 0.328 369 F C 0.738 176.504 175.800 -0.055 0.000 1.094 369 F CA -0.614 57.356 58.000 -0.050 0.000 1.093 369 F CB 1.530 40.544 39.000 0.024 0.000 1.214 369 F HN 0.461 nan 8.300 nan 0.000 0.518 370 S N 1.438 117.298 115.700 0.266 0.000 2.645 370 S HA 0.140 4.610 4.470 0.001 0.000 0.266 370 S C 0.967 175.699 174.600 0.220 0.000 1.258 370 S CA -0.482 57.826 58.200 0.179 0.000 0.990 370 S CB 0.807 64.113 63.200 0.176 0.000 0.967 370 S HN 0.666 nan 8.310 nan 0.000 0.556 371 N N 0.838 119.641 118.700 0.172 0.000 2.166 371 N HA -0.137 4.603 4.740 0.001 0.000 0.186 371 N C 1.640 177.261 175.510 0.186 0.000 1.019 371 N CA 1.689 54.824 53.050 0.143 0.000 0.856 371 N CB -1.786 36.803 38.487 0.170 0.000 0.993 371 N HN 0.620 nan 8.380 nan 0.000 0.426 372 c N 0.487 119.243 118.600 0.260 0.000 2.413 372 c HA -0.013 4.557 4.570 0.001 0.000 0.276 372 c C 3.024 177.260 174.090 0.243 0.000 1.248 372 c CA 1.093 57.597 56.329 0.291 0.000 1.742 372 c CB -1.384 41.267 42.510 0.235 0.000 2.017 372 c HN 0.519 nan 8.230 nan 0.000 0.481 373 S N -0.431 115.400 115.700 0.219 0.000 2.370 373 S HA -0.213 4.257 4.470 0.001 0.000 0.226 373 S C 1.568 176.220 174.600 0.088 0.000 1.033 373 S CA 1.736 60.032 58.200 0.160 0.000 1.011 373 S CB -0.612 62.749 63.200 0.268 0.000 0.852 373 S HN 0.710 nan 8.310 nan 0.000 0.457 374 Y N 1.663 121.973 120.300 0.017 0.000 2.049 374 Y HA -0.217 4.333 4.550 0.001 0.000 0.277 374 Y C 1.909 177.829 175.900 0.033 0.000 1.143 374 Y CA 1.519 59.584 58.100 -0.058 0.000 1.115 374 Y CB -0.835 37.476 38.460 -0.248 0.000 0.975 374 Y HN 0.244 nan 8.280 nan 0.000 0.487 375 F N 0.387 120.476 119.950 0.231 0.000 2.126 375 F HA -0.240 4.287 4.527 0.001 0.000 0.299 375 F C 2.619 178.463 175.800 0.072 0.000 1.096 375 F CA 1.616 59.691 58.000 0.126 0.000 1.255 375 F CB -0.501 38.606 39.000 0.179 0.000 0.997 375 F HN 0.162 nan 8.300 nan 0.000 0.479 376 E N -0.363 119.988 120.200 0.252 0.000 2.153 376 E HA -0.246 4.105 4.350 0.001 0.000 0.194 376 E C 2.247 178.902 176.600 0.092 0.000 0.988 376 E CA 1.151 57.649 56.400 0.163 0.000 0.811 376 E CB -0.205 29.573 29.700 0.130 0.000 0.746 376 E HN 0.478 nan 8.360 nan 0.000 0.466 377 C N -0.314 118.976 119.300 -0.018 0.000 2.473 377 C HA -0.105 4.355 4.460 0.001 0.000 0.279 377 C C 2.164 177.037 174.990 -0.195 0.000 1.250 377 C CA 0.780 59.701 59.018 -0.162 0.000 1.713 377 C CB -1.453 26.074 27.740 -0.354 0.000 2.066 377 C HN 0.709 nan 8.230 nan 0.000 0.474 378 W N 0.981 122.186 121.300 -0.158 0.000 2.525 378 W HA 0.015 4.675 4.660 0.001 0.000 0.259 378 W C 2.129 178.625 176.519 -0.038 0.000 1.253 378 W CA 1.449 58.709 57.345 -0.141 0.000 1.262 378 W CB -0.487 28.802 29.460 -0.284 0.000 1.122 378 W HN 0.533 nan 8.180 nan 0.000 0.607 379 D N -0.445 120.066 120.400 0.185 0.000 2.097 379 D HA -0.272 4.368 4.640 0.001 0.000 0.197 379 D C 1.949 178.328 176.300 0.132 0.000 0.984 379 D CA 1.393 55.482 54.000 0.148 0.000 0.826 379 D CB -0.377 40.517 40.800 0.156 0.000 0.973 379 D HN 0.050 nan 8.370 nan 0.000 0.460 380 F N 0.982 120.950 119.950 0.029 0.000 2.134 380 F HA -0.042 4.486 4.527 0.001 0.000 0.299 380 F C 1.885 177.704 175.800 0.031 0.000 1.097 380 F CA 1.239 59.284 58.000 0.075 0.000 1.264 380 F CB -0.253 38.760 39.000 0.022 0.000 1.001 380 F HN 0.029 nan 8.300 nan 0.000 0.479 381 I N -0.283 120.254 120.570 -0.054 0.000 2.567 381 I HA -0.308 3.862 4.170 0.001 0.000 0.257 381 I C 1.928 177.981 176.117 -0.108 0.000 1.184 381 I CA 0.662 61.866 61.300 -0.161 0.000 1.451 381 I CB -0.331 37.517 38.000 -0.254 0.000 1.089 381 I HN 0.279 nan 8.210 nan 0.000 0.441 382 M N -0.289 119.275 119.600 -0.061 0.000 2.544 382 M HA 0.012 4.492 4.480 0.001 0.000 0.251 382 M C 1.973 178.181 176.300 -0.154 0.000 1.189 382 M CA 1.370 56.635 55.300 -0.057 0.000 1.218 382 M CB -1.497 31.103 32.600 0.000 0.000 1.259 382 M HN 0.079 nan 8.290 nan 0.000 0.495 383 N N 0.175 118.749 118.700 -0.210 0.000 2.069 383 N HA -0.104 4.636 4.740 0.001 0.000 0.191 383 N C 0.426 175.623 175.510 -0.520 0.000 1.031 383 N CA 1.124 53.959 53.050 -0.359 0.000 0.852 383 N CB -0.240 37.988 38.487 -0.431 0.000 1.018 383 N HN 0.358 nan 8.380 nan 0.000 0.423 384 H N -0.431 118.431 119.070 -0.348 0.000 2.479 384 H HA 0.231 4.788 4.556 0.001 0.000 0.335 384 H C -0.462 174.589 175.328 -0.463 0.000 1.142 384 H CA -0.527 55.246 56.048 -0.460 0.000 1.234 384 H CB 0.809 30.088 29.762 -0.805 0.000 1.503 384 H HN 0.145 nan 8.280 nan 0.000 0.510 385 N N 3.395 121.982 118.700 -0.188 0.000 2.527 385 N HA 0.166 4.907 4.740 0.001 0.000 0.236 385 N C -2.424 173.016 175.510 -0.117 0.000 0.999 385 N CA -1.596 51.365 53.050 -0.148 0.000 0.935 385 N CB 0.785 39.221 38.487 -0.086 0.000 1.132 385 N HN 0.230 nan 8.380 nan 0.000 0.511 386 P HA 0.094 nan 4.420 nan 0.000 0.226 386 P C 0.354 177.653 177.300 -0.002 0.000 1.783 386 P CA -0.007 63.080 63.100 -0.022 0.000 0.980 386 P CB 0.202 31.916 31.700 0.024 0.000 1.967 387 E N 0.684 120.879 120.200 -0.009 0.000 2.236 387 E HA -0.300 4.050 4.350 0.001 0.000 0.205 387 E C 1.339 177.952 176.600 0.022 0.000 1.028 387 E CA 1.905 58.308 56.400 0.005 0.000 0.827 387 E CB -0.349 29.349 29.700 -0.002 0.000 0.735 387 E HN 0.503 nan 8.360 nan 0.000 0.470 388 c N -0.111 118.501 118.600 0.021 0.000 2.522 388 c HA 0.158 4.729 4.570 0.001 0.000 0.271 388 c C 1.975 176.099 174.090 0.057 0.000 1.425 388 c CA -0.192 56.153 56.329 0.026 0.000 1.751 388 c CB -1.369 41.142 42.510 0.001 0.000 1.775 388 c HN 0.551 nan 8.230 nan 0.000 0.557 389 I N -2.319 118.294 120.570 0.071 0.000 3.891 389 I HA 0.313 4.483 4.170 0.001 0.000 0.331 389 I C 1.468 177.694 176.117 0.183 0.000 1.406 389 I CA -0.022 61.349 61.300 0.117 0.000 1.139 389 I CB -0.283 37.758 38.000 0.068 0.000 1.056 389 I HN 0.200 nan 8.210 nan 0.000 0.399 390 L N 1.411 122.726 121.223 0.153 0.000 2.145 390 L HA 0.062 4.403 4.340 0.001 0.000 0.201 390 L C 1.355 178.357 176.870 0.220 0.000 1.075 390 L CA 0.261 55.211 54.840 0.183 0.000 0.773 390 L CB -0.405 41.719 42.059 0.109 0.000 0.936 390 L HN 0.545 nan 8.230 nan 0.000 0.451 391 N N 1.613 120.385 118.700 0.121 0.000 2.492 391 N HA -0.106 4.634 4.740 0.001 0.000 0.260 391 N C -0.408 175.041 175.510 -0.102 0.000 1.215 391 N CA 0.132 53.197 53.050 0.024 0.000 0.923 391 N CB 0.985 39.466 38.487 -0.011 0.000 1.092 391 N HN 0.172 nan 8.380 nan 0.000 0.448 392 E N 2.242 122.230 120.200 -0.353 0.000 2.200 392 E HA 0.247 4.597 4.350 0.001 0.000 0.283 392 E C -2.099 174.222 176.600 -0.465 0.000 1.015 392 E CA -2.019 53.815 56.400 -0.943 0.000 0.819 392 E CB 0.788 29.962 29.700 -0.877 0.000 1.081 392 E HN 0.481 nan 8.360 nan 0.000 0.397 393 P HA 0.034 nan 4.420 nan 0.000 0.271 393 P C -0.275 176.929 177.300 -0.160 0.000 1.216 393 P CA 0.020 63.016 63.100 -0.173 0.000 0.771 393 P CB 0.749 32.400 31.700 -0.082 0.000 0.864 394 L N 2.010 123.167 121.223 -0.111 0.000 2.473 394 L HA 0.109 4.450 4.340 0.001 0.000 0.268 394 L C 2.295 179.107 176.870 -0.097 0.000 1.215 394 L CA 0.127 54.906 54.840 -0.101 0.000 0.823 394 L CB -0.180 41.833 42.059 -0.077 0.000 1.099 394 L HN 0.535 nan 8.230 nan 0.000 0.483 395 G N -0.264 108.472 108.800 -0.107 0.000 2.450 395 G HA2 -0.252 3.709 3.960 0.001 0.000 0.220 395 G HA3 -0.252 3.709 3.960 0.001 0.000 0.220 395 G C 1.338 176.192 174.900 -0.076 0.000 1.130 395 G CA 1.101 46.142 45.100 -0.099 0.000 0.760 395 G HN 0.769 nan 8.290 nan 0.000 0.557 396 T N -2.143 112.371 114.554 -0.066 0.000 3.160 396 T HA 0.069 4.419 4.350 0.001 0.000 0.257 396 T C 1.353 176.028 174.700 -0.043 0.000 1.147 396 T CA 1.109 63.178 62.100 -0.051 0.000 1.064 396 T CB 0.119 68.960 68.868 -0.044 0.000 0.949 396 T HN 0.073 nan 8.240 nan 0.000 0.526 397 D N 0.853 121.226 120.400 -0.045 0.000 2.354 397 D HA 0.263 4.903 4.640 0.001 0.000 0.209 397 D C 0.402 176.689 176.300 -0.023 0.000 1.015 397 D CA 0.085 54.068 54.000 -0.029 0.000 0.867 397 D CB 0.132 40.914 40.800 -0.030 0.000 0.933 397 D HN 0.497 nan 8.370 nan 0.000 0.520 398 I N 2.111 122.657 120.570 -0.039 0.000 2.325 398 I HA 0.159 4.329 4.170 0.001 0.000 0.291 398 I C 1.689 177.768 176.117 -0.064 0.000 1.019 398 I CA -0.343 60.932 61.300 -0.042 0.000 1.302 398 I CB 1.628 39.594 38.000 -0.055 0.000 1.401 398 I HN -0.124 nan 8.210 nan 0.000 0.485 399 I N 1.917 122.452 120.570 -0.058 0.000 3.603 399 I HA 0.082 4.253 4.170 0.001 0.000 0.297 399 I C 1.121 177.084 176.117 -0.257 0.000 1.269 399 I CA -0.123 61.128 61.300 -0.083 0.000 1.361 399 I CB -0.162 37.843 38.000 0.008 0.000 1.063 399 I HN 0.533 nan 8.210 nan 0.000 0.448 400 S N 2.068 117.573 115.700 -0.324 0.000 2.600 400 S HA 0.378 4.849 4.470 0.001 0.000 0.265 400 S C -2.422 171.889 174.600 -0.482 0.000 1.325 400 S CA -1.080 56.710 58.200 -0.683 0.000 1.002 400 S CB -0.352 62.642 63.200 -0.344 0.000 0.921 400 S HN 0.061 nan 8.310 nan 0.000 0.554 401 P HA 0.295 nan 4.420 nan 0.000 0.276 401 P C -2.346 174.860 177.300 -0.156 0.000 1.243 401 P CA -1.275 61.675 63.100 -0.250 0.000 0.768 401 P CB -0.357 31.235 31.700 -0.180 0.000 0.856 402 P HA -0.040 nan 4.420 nan 0.000 0.262 402 P C -0.744 176.518 177.300 -0.064 0.000 1.182 402 P CA 0.541 63.590 63.100 -0.085 0.000 0.761 402 P CB 0.425 32.081 31.700 -0.073 0.000 0.795 403 V N 4.500 124.381 119.914 -0.055 0.000 2.409 403 V HA 0.106 4.226 4.120 0.001 0.000 0.290 403 V C 0.455 176.528 176.094 -0.034 0.000 1.017 403 V CA -0.727 61.551 62.300 -0.037 0.000 0.841 403 V CB 1.765 33.571 31.823 -0.028 0.000 1.003 403 V HN 0.799 nan 8.190 nan 0.000 0.426 404 c N 5.273 123.858 118.600 -0.026 0.000 2.566 404 c HA 0.612 5.183 4.570 0.001 0.000 0.393 404 c C 1.505 175.587 174.090 -0.014 0.000 1.309 404 c CA 1.128 57.443 56.329 -0.022 0.000 1.801 404 c CB -1.101 41.399 42.510 -0.016 0.000 2.493 404 c HN 1.438 nan 8.230 nan 0.000 0.575 405 G N 5.459 114.250 108.800 -0.015 0.000 2.229 405 G HA2 -0.237 3.723 3.960 0.001 0.000 0.189 405 G HA3 -0.237 3.723 3.960 0.001 0.000 0.189 405 G C 0.493 175.388 174.900 -0.008 0.000 1.000 405 G CA 0.318 45.416 45.100 -0.004 0.000 0.663 405 G HN 0.951 nan 8.290 nan 0.000 0.493 406 N N 1.245 119.927 118.700 -0.030 0.000 2.449 406 N HA 0.184 4.925 4.740 0.001 0.000 0.191 406 N C 0.758 176.199 175.510 -0.115 0.000 1.161 406 N CA 0.916 53.941 53.050 -0.041 0.000 0.863 406 N CB -0.228 38.234 38.487 -0.042 0.000 0.980 406 N HN 0.666 nan 8.380 nan 0.000 0.458 407 E N -0.955 119.177 120.200 -0.113 0.000 2.868 407 E HA -0.178 4.172 4.350 0.001 0.000 0.278 407 E C -1.074 175.327 176.600 -0.332 0.000 1.009 407 E CA 0.380 56.665 56.400 -0.192 0.000 0.856 407 E CB -1.689 27.895 29.700 -0.194 0.000 1.428 407 E HN 0.452 nan 8.360 nan 0.000 0.423 408 L N 1.088 122.189 121.223 -0.204 0.000 2.404 408 L HA 0.371 4.712 4.340 0.001 0.000 0.272 408 L C -0.305 176.502 176.870 -0.105 0.000 0.980 408 L CA -0.953 53.794 54.840 -0.154 0.000 0.836 408 L CB 1.368 43.340 42.059 -0.146 0.000 1.238 408 L HN 0.004 nan 8.230 nan 0.000 0.408 409 L N 4.211 125.368 121.223 -0.110 0.000 2.565 409 L HA 0.205 4.545 4.340 0.001 0.000 0.275 409 L C -0.039 176.742 176.870 -0.148 0.000 1.137 409 L CA 0.859 55.602 54.840 -0.162 0.000 0.915 409 L CB -0.034 41.821 42.059 -0.339 0.000 1.232 409 L HN 0.552 nan 8.230 nan 0.000 0.473 410 E N 2.692 122.824 120.200 -0.114 0.000 2.316 410 E HA 0.448 4.799 4.350 0.001 0.000 0.258 410 E C -0.858 175.690 176.600 -0.087 0.000 0.952 410 E CA -1.315 55.026 56.400 -0.098 0.000 0.818 410 E CB 1.397 31.046 29.700 -0.086 0.000 1.260 410 E HN 0.285 nan 8.360 nan 0.000 0.416 411 V N 1.480 121.348 119.914 -0.077 0.000 2.644 411 V HA 0.174 4.294 4.120 0.001 0.000 0.305 411 V C 1.264 177.326 176.094 -0.054 0.000 1.053 411 V CA 1.853 64.115 62.300 -0.063 0.000 1.186 411 V CB 0.040 31.830 31.823 -0.056 0.000 0.895 411 V HN 1.034 nan 8.190 nan 0.000 0.490 412 G N 3.618 112.391 108.800 -0.046 0.000 2.157 412 G HA2 -0.172 3.788 3.960 0.001 0.000 0.239 412 G HA3 -0.172 3.788 3.960 0.001 0.000 0.239 412 G C -0.128 174.752 174.900 -0.035 0.000 0.982 412 G CA 0.117 45.195 45.100 -0.036 0.000 0.650 412 G HN 0.722 nan 8.290 nan 0.000 0.527 413 E N -0.428 119.746 120.200 -0.044 0.000 2.248 413 E HA 0.499 4.849 4.350 0.001 0.000 0.267 413 E C 0.303 176.877 176.600 -0.043 0.000 0.877 413 E CA -0.727 55.648 56.400 -0.042 0.000 0.759 413 E CB 1.662 31.331 29.700 -0.053 0.000 1.182 413 E HN 0.329 nan 8.360 nan 0.000 0.418 414 E N 0.460 120.646 120.200 -0.024 0.000 2.340 414 E HA 0.056 4.407 4.350 0.001 0.000 0.194 414 E C 0.440 177.036 176.600 -0.006 0.000 0.996 414 E CA 0.432 56.826 56.400 -0.010 0.000 0.869 414 E CB 0.232 29.936 29.700 0.007 0.000 0.835 414 E HN 0.584 nan 8.360 nan 0.000 0.493 415 c N -1.359 117.235 118.600 -0.010 0.000 3.275 415 c HA 0.609 5.180 4.570 0.001 0.000 0.340 415 c C -1.958 172.134 174.090 0.003 0.000 1.366 415 c CA -1.296 55.040 56.329 0.012 0.000 1.227 415 c CB 1.958 44.497 42.510 0.049 0.000 1.512 415 c HN 0.074 nan 8.230 nan 0.000 0.461 416 D N 0.041 120.454 120.400 0.022 0.000 2.591 416 D HA 0.371 5.012 4.640 0.001 0.000 0.222 416 D C -0.006 176.314 176.300 0.033 0.000 1.360 416 D CA -0.006 53.999 54.000 0.009 0.000 0.967 416 D CB 1.584 42.368 40.800 -0.026 0.000 1.456 416 D HN 1.220 nan 8.370 nan 0.000 0.588 417 c N 2.407 121.031 118.600 0.039 0.000 2.863 417 c HA 0.829 5.400 4.570 0.001 0.000 0.284 417 c C 1.153 175.277 174.090 0.056 0.000 1.426 417 c CA 0.324 56.690 56.329 0.060 0.000 1.782 417 c CB -0.831 41.721 42.510 0.070 0.000 2.554 417 c HN 0.832 nan 8.230 nan 0.000 0.566 418 G N 1.829 110.648 108.800 0.033 0.000 2.615 418 G HA2 0.099 4.059 3.960 0.001 0.000 0.218 418 G HA3 0.099 4.059 3.960 0.001 0.000 0.218 418 G C -0.114 174.808 174.900 0.036 0.000 1.339 418 G CA 0.032 45.154 45.100 0.037 0.000 0.884 418 G HN 1.501 nan 8.290 nan 0.000 0.559 419 T N -0.037 114.541 114.554 0.041 0.000 2.903 419 T HA 0.484 4.834 4.350 0.001 0.000 0.314 419 T C -0.424 174.298 174.700 0.037 0.000 1.078 419 T CA 0.062 62.184 62.100 0.035 0.000 1.114 419 T CB 1.520 70.411 68.868 0.038 0.000 0.987 419 T HN 0.625 nan 8.240 nan 0.000 0.548 420 P HA -0.089 nan 4.420 nan 0.000 0.223 420 P C 0.749 178.070 177.300 0.034 0.000 1.144 420 P CA 1.043 64.161 63.100 0.030 0.000 0.783 420 P CB 0.154 31.868 31.700 0.024 0.000 0.771 421 E N -0.321 119.901 120.200 0.036 0.000 2.230 421 E HA -0.037 4.314 4.350 0.001 0.000 0.192 421 E C 1.682 178.311 176.600 0.047 0.000 0.987 421 E CA 0.759 57.182 56.400 0.039 0.000 0.841 421 E CB -0.519 29.203 29.700 0.037 0.000 0.783 421 E HN 0.307 nan 8.360 nan 0.000 0.481 422 N N -0.442 118.292 118.700 0.056 0.000 2.356 422 N HA -0.003 4.737 4.740 0.001 0.000 0.178 422 N C -0.011 175.546 175.510 0.078 0.000 1.075 422 N CA 0.026 53.118 53.050 0.071 0.000 0.889 422 N CB -0.057 38.480 38.487 0.084 0.000 0.999 422 N HN 0.100 nan 8.380 nan 0.000 0.464 423 c N 2.797 121.437 118.600 0.068 0.000 2.517 423 c HA 0.014 4.584 4.570 0.001 0.000 0.403 423 c C 1.153 175.283 174.090 0.067 0.000 1.467 423 c CA 0.247 56.617 56.329 0.069 0.000 1.542 423 c CB -0.521 42.021 42.510 0.053 0.000 2.482 423 c HN 0.318 nan 8.230 nan 0.000 0.610 424 Q N 3.568 123.416 119.800 0.080 0.000 2.139 424 Q HA 0.163 4.504 4.340 0.001 0.000 0.219 424 Q C -0.044 175.997 176.000 0.069 0.000 0.805 424 Q CA 0.154 56.000 55.803 0.072 0.000 1.024 424 Q CB -0.146 28.642 28.738 0.084 0.000 1.163 424 Q HN 0.884 nan 8.270 nan 0.000 0.485 425 N N 1.489 120.230 118.700 0.069 0.000 2.469 425 N HA 0.015 4.755 4.740 0.001 0.000 0.239 425 N C 0.931 176.470 175.510 0.048 0.000 1.053 425 N CA 0.069 53.158 53.050 0.064 0.000 0.937 425 N CB 0.790 39.322 38.487 0.075 0.000 1.163 425 N HN -0.127 nan 8.380 nan 0.000 0.509 426 E N 2.322 122.546 120.200 0.040 0.000 2.171 426 E HA -0.187 4.163 4.350 0.001 0.000 0.197 426 E C 0.933 177.547 176.600 0.023 0.000 0.997 426 E CA 1.594 58.011 56.400 0.028 0.000 0.810 426 E CB -0.143 29.570 29.700 0.023 0.000 0.738 426 E HN 0.741 nan 8.360 nan 0.000 0.467 427 c N -0.487 118.129 118.600 0.027 0.000 2.562 427 c HA 0.318 4.888 4.570 0.001 0.000 0.266 427 c C 1.191 175.295 174.090 0.023 0.000 1.382 427 c CA -0.833 55.508 56.329 0.020 0.000 1.742 427 c CB -1.559 40.964 42.510 0.021 0.000 1.812 427 c HN 0.407 nan 8.230 nan 0.000 0.559 428 c N 1.727 120.345 118.600 0.031 0.000 2.456 428 c HA 0.572 5.142 4.570 0.001 0.000 0.325 428 c C -0.762 173.343 174.090 0.025 0.000 1.217 428 c CA -0.424 55.923 56.329 0.030 0.000 1.687 428 c CB 0.713 43.248 42.510 0.041 0.000 2.270 428 c HN 0.548 nan 8.230 nan 0.000 0.499 429 D N 2.714 123.125 120.400 0.019 0.000 2.428 429 D HA 0.470 5.111 4.640 0.001 0.000 0.221 429 D C 0.862 177.172 176.300 0.017 0.000 1.123 429 D CA 0.295 54.305 54.000 0.016 0.000 0.869 429 D CB 1.479 42.285 40.800 0.011 0.000 1.032 429 D HN 0.692 nan 8.370 nan 0.000 0.506 430 A N 4.285 127.118 122.820 0.021 0.000 1.884 430 A HA -0.193 4.127 4.320 0.001 0.000 0.219 430 A C 2.182 179.775 177.584 0.015 0.000 1.197 430 A CA 2.134 54.184 52.037 0.021 0.000 0.637 430 A CB -1.073 17.943 19.000 0.027 0.000 0.827 430 A HN 0.703 nan 8.150 nan 0.000 0.450 431 A N -1.325 121.503 122.820 0.013 0.000 2.076 431 A HA -0.050 4.270 4.320 0.001 0.000 0.220 431 A C 2.124 179.711 177.584 0.005 0.000 1.160 431 A CA 2.585 54.628 52.037 0.009 0.000 0.653 431 A CB -0.823 18.182 19.000 0.009 0.000 0.801 431 A HN 1.048 nan 8.150 nan 0.000 0.455 432 T N -8.191 106.366 114.554 0.005 0.000 3.016 432 T HA 0.197 4.547 4.350 0.001 0.000 0.271 432 T C 0.544 175.243 174.700 -0.001 0.000 0.968 432 T CA 0.617 62.718 62.100 0.001 0.000 0.891 432 T CB -0.704 68.165 68.868 0.001 0.000 1.149 432 T HN 0.757 nan 8.240 nan 0.000 0.524 433 c N 2.399 121.000 118.600 0.002 0.000 4.432 433 c HA -0.087 4.483 4.570 0.001 0.000 0.294 433 c C 0.132 174.222 174.090 0.000 0.000 1.398 433 c CA 0.327 56.656 56.329 -0.001 0.000 1.988 433 c CB -2.217 40.286 42.510 -0.011 0.000 1.251 433 c HN 0.575 nan 8.230 nan 0.000 0.791 434 K N 0.009 120.411 120.400 0.004 0.000 2.208 434 K HA 0.712 5.032 4.320 0.001 0.000 0.247 434 K C 0.115 176.720 176.600 0.008 0.000 0.953 434 K CA -0.543 55.746 56.287 0.004 0.000 0.837 434 K CB 1.182 33.684 32.500 0.002 0.000 1.131 434 K HN 0.330 nan 8.250 nan 0.000 0.431 435 L N 2.325 123.552 121.223 0.007 0.000 2.426 435 L HA 0.185 4.526 4.340 0.001 0.000 0.271 435 L C 0.643 177.513 176.870 0.000 0.000 1.169 435 L CA 0.110 54.954 54.840 0.006 0.000 0.836 435 L CB 0.276 42.336 42.059 0.001 0.000 1.112 435 L HN 0.576 nan 8.230 nan 0.000 0.465 436 K N 1.166 121.565 120.400 -0.001 0.000 2.469 436 K HA 0.744 5.064 4.320 0.001 0.000 0.254 436 K C -0.413 176.182 176.600 -0.008 0.000 0.939 436 K CA -0.708 55.577 56.287 -0.003 0.000 0.812 436 K CB 2.089 34.590 32.500 0.003 0.000 1.301 436 K HN 0.586 nan 8.250 nan 0.000 0.433 437 S N 0.217 115.911 115.700 -0.009 0.000 3.521 437 S HA -0.205 4.265 4.470 0.001 0.000 0.631 437 S C 0.734 175.320 174.600 -0.023 0.000 2.557 437 S CA 0.689 58.881 58.200 -0.013 0.000 3.244 437 S CB -1.575 61.620 63.200 -0.008 0.000 0.300 437 S HN 1.180 nan 8.310 nan 0.000 1.439 438 G N 1.755 110.539 108.800 -0.025 0.000 3.471 438 G HA2 0.412 4.372 3.960 0.001 0.000 0.254 438 G HA3 0.412 4.372 3.960 0.001 0.000 0.254 438 G C 0.073 174.940 174.900 -0.055 0.000 1.199 438 G CA 0.586 45.663 45.100 -0.038 0.000 1.683 438 G HN 1.160 nan 8.290 nan 0.000 0.625 439 S N -1.075 114.592 115.700 -0.056 0.000 2.429 439 S HA 0.352 4.823 4.470 0.001 0.000 0.302 439 S C 0.485 175.014 174.600 -0.117 0.000 1.115 439 S CA -0.725 57.433 58.200 -0.070 0.000 1.095 439 S CB 2.159 65.338 63.200 -0.035 0.000 0.987 439 S HN 0.303 nan 8.310 nan 0.000 0.474 440 Q N 1.173 120.846 119.800 -0.210 0.000 2.319 440 Q HA 0.264 4.604 4.340 0.001 0.000 0.202 440 Q C 0.014 175.797 176.000 -0.361 0.000 0.896 440 Q CA 0.244 55.809 55.803 -0.396 0.000 0.942 440 Q CB 0.082 28.400 28.738 -0.699 0.000 1.083 440 Q HN 1.017 nan 8.270 nan 0.000 0.510 441 c N -5.654 112.866 118.600 -0.135 0.000 3.197 441 c HA 0.706 5.277 4.570 0.001 0.000 0.343 441 c C 0.391 174.512 174.090 0.052 0.000 1.291 441 c CA -0.377 55.976 56.329 0.041 0.000 1.191 441 c CB 0.871 43.494 42.510 0.188 0.000 1.444 441 c HN 0.105 nan 8.230 nan 0.000 0.468 442 G N -0.114 108.750 108.800 0.106 0.000 4.596 442 G HA2 0.513 4.473 3.960 0.001 0.000 0.276 442 G HA3 0.513 4.473 3.960 0.001 0.000 0.276 442 G C -0.437 174.563 174.900 0.166 0.000 1.013 442 G CA 0.550 45.711 45.100 0.103 0.000 0.778 442 G HN 1.374 nan 8.290 nan 0.000 0.389 443 H N -0.124 118.985 119.070 0.065 0.000 3.064 443 H HA 0.550 5.107 4.556 0.001 0.000 0.352 443 H C -0.064 175.302 175.328 0.064 0.000 1.260 443 H CA 0.520 56.605 56.048 0.061 0.000 1.160 443 H CB 1.923 31.711 29.762 0.044 0.000 1.879 443 H HN 1.075 nan 8.280 nan 0.000 0.544 444 G N 2.763 111.279 108.800 -0.474 0.000 2.539 444 G HA2 -0.144 3.816 3.960 0.001 0.000 0.686 444 G HA3 -0.144 3.816 3.960 0.001 0.000 0.686 444 G C -0.207 174.635 174.900 -0.096 0.000 1.258 444 G CA -0.042 44.965 45.100 -0.155 0.000 0.846 444 G HN 0.543 nan 8.290 nan 0.000 0.647 445 D N -0.592 119.777 120.400 -0.053 0.000 2.363 445 D HA 0.064 4.705 4.640 0.001 0.000 0.220 445 D C 1.651 177.953 176.300 0.004 0.000 0.994 445 D CA 1.027 55.011 54.000 -0.026 0.000 0.890 445 D CB 0.139 40.924 40.800 -0.024 0.000 0.906 445 D HN 0.405 nan 8.370 nan 0.000 0.530 446 c N 0.439 119.053 118.600 0.023 0.000 2.881 446 c HA 0.303 4.873 4.570 0.001 0.000 0.290 446 c C 0.679 174.833 174.090 0.107 0.000 1.362 446 c CA -0.954 55.404 56.329 0.049 0.000 1.757 446 c CB -0.681 41.843 42.510 0.023 0.000 2.265 446 c HN 0.305 nan 8.230 nan 0.000 0.600 447 c N 2.695 121.352 118.600 0.095 0.000 2.294 447 c HA 0.480 5.050 4.570 0.001 0.000 0.319 447 c C -0.311 173.820 174.090 0.070 0.000 1.164 447 c CA -0.181 56.221 56.329 0.122 0.000 1.497 447 c CB -0.901 41.685 42.510 0.127 0.000 2.061 447 c HN 0.584 nan 8.230 nan 0.000 0.438 448 E N 3.705 123.945 120.200 0.067 0.000 2.129 448 E HA 0.239 4.590 4.350 0.001 0.000 0.268 448 E C -0.385 176.232 176.600 0.029 0.000 0.900 448 E CA -0.174 56.251 56.400 0.042 0.000 0.755 448 E CB 0.991 30.715 29.700 0.040 0.000 1.117 448 E HN 0.629 nan 8.360 nan 0.000 0.410 449 Q N 1.254 121.068 119.800 0.023 0.000 2.463 449 Q HA -0.227 4.114 4.340 0.001 0.000 0.299 449 Q C -0.256 175.745 176.000 0.002 0.000 1.353 449 Q CA 0.763 56.574 55.803 0.013 0.000 0.828 449 Q CB -2.094 26.650 28.738 0.010 0.000 1.157 449 Q HN 1.003 nan 8.270 nan 0.000 0.436 450 c N -1.890 116.713 118.600 0.005 0.000 4.417 450 c HA -0.213 4.357 4.570 0.001 0.000 0.284 450 c C 0.625 174.674 174.090 -0.068 0.000 1.379 450 c CA 1.425 57.743 56.329 -0.018 0.000 1.918 450 c CB -1.732 40.764 42.510 -0.023 0.000 1.280 450 c HN 0.468 nan 8.230 nan 0.000 0.783 451 K N -1.205 119.167 120.400 -0.046 0.000 2.527 451 K HA 0.588 4.908 4.320 0.001 0.000 0.260 451 K C -0.158 176.468 176.600 0.042 0.000 0.937 451 K CA -0.653 55.571 56.287 -0.106 0.000 0.826 451 K CB 1.427 33.881 32.500 -0.078 0.000 1.359 451 K HN 0.215 nan 8.250 nan 0.000 0.434 452 F N 1.795 121.756 119.950 0.017 0.000 2.602 452 F HA -0.069 4.459 4.527 0.001 0.000 0.367 452 F C 1.444 177.254 175.800 0.016 0.000 1.126 452 F CA -0.185 57.826 58.000 0.017 0.000 1.321 452 F CB 0.490 39.499 39.000 0.016 0.000 1.094 452 F HN 0.470 nan 8.300 nan 0.000 0.594 453 S N 2.878 118.706 115.700 0.214 0.000 2.601 453 S HA 0.264 4.734 4.470 0.001 0.000 0.271 453 S C -0.493 174.170 174.600 0.105 0.000 1.305 453 S CA -1.277 56.995 58.200 0.120 0.000 1.022 453 S CB 0.990 64.240 63.200 0.084 0.000 0.940 453 S HN 0.478 nan 8.310 nan 0.000 0.525 454 K N 2.189 122.635 120.400 0.077 0.000 2.511 454 K HA 0.051 4.371 4.320 0.001 0.000 0.280 454 K C 0.674 177.302 176.600 0.048 0.000 1.008 454 K CA 0.142 56.465 56.287 0.060 0.000 1.050 454 K CB 0.092 32.618 32.500 0.043 0.000 0.889 454 K HN 0.863 nan 8.250 nan 0.000 0.484 455 S N 1.611 117.333 115.700 0.036 0.000 2.558 455 S HA 0.153 4.624 4.470 0.001 0.000 0.293 455 S C 1.192 175.797 174.600 0.008 0.000 1.292 455 S CA 0.076 58.287 58.200 0.018 0.000 1.063 455 S CB 0.636 63.839 63.200 0.005 0.000 0.831 455 S HN 0.959 nan 8.310 nan 0.000 0.499 456 G N 1.997 110.803 108.800 0.009 0.000 2.175 456 G HA2 -0.220 3.740 3.960 0.001 0.000 0.244 456 G HA3 -0.220 3.740 3.960 0.001 0.000 0.244 456 G C 0.147 175.081 174.900 0.058 0.000 0.982 456 G CA 0.009 45.085 45.100 -0.040 0.000 0.641 456 G HN 1.073 nan 8.290 nan 0.000 0.527 457 T N 1.280 115.895 114.554 0.101 0.000 2.814 457 T HA 0.407 4.757 4.350 0.001 0.000 0.297 457 T C 0.369 175.180 174.700 0.186 0.000 0.956 457 T CA 0.158 62.330 62.100 0.121 0.000 1.123 457 T CB 1.576 70.487 68.868 0.073 0.000 0.902 457 T HN 0.421 nan 8.240 nan 0.000 0.528 458 E N 1.444 121.760 120.200 0.194 0.000 2.376 458 E HA 0.096 4.446 4.350 0.001 0.000 0.266 458 E C 0.677 177.264 176.600 -0.021 0.000 1.009 458 E CA -0.483 55.944 56.400 0.045 0.000 0.902 458 E CB 0.235 29.954 29.700 0.032 0.000 0.972 458 E HN 0.896 nan 8.360 nan 0.000 0.439 459 c N 3.414 121.964 118.600 -0.085 0.000 3.491 459 c HA 0.494 5.064 4.570 0.001 0.000 0.298 459 c C 0.585 174.635 174.090 -0.066 0.000 1.424 459 c CA -0.829 55.469 56.329 -0.052 0.000 1.772 459 c CB -0.517 41.971 42.510 -0.037 0.000 2.447 459 c HN 0.665 nan 8.230 nan 0.000 0.670 460 R N 1.250 121.689 120.500 -0.102 0.000 2.772 460 R HA 0.542 4.882 4.340 0.001 0.000 0.288 460 R C -0.256 175.991 176.300 -0.089 0.000 1.365 460 R CA 0.064 56.116 56.100 -0.080 0.000 1.023 460 R CB 0.918 31.168 30.300 -0.083 0.000 1.261 460 R HN 0.397 nan 8.270 nan 0.000 0.422 461 A N 2.271 125.059 122.820 -0.053 0.000 2.507 461 A HA 0.168 4.489 4.320 0.001 0.000 0.235 461 A C 0.182 177.749 177.584 -0.029 0.000 1.070 461 A CA 0.205 52.217 52.037 -0.042 0.000 0.768 461 A CB 0.707 19.694 19.000 -0.022 0.000 1.011 461 A HN 0.650 nan 8.150 nan 0.000 0.502 462 S N 1.506 117.192 115.700 -0.024 0.000 2.499 462 S HA 0.313 4.783 4.470 0.001 0.000 0.275 462 S C 1.118 175.711 174.600 -0.012 0.000 1.257 462 S CA -0.422 57.772 58.200 -0.011 0.000 1.050 462 S CB -0.007 63.191 63.200 -0.004 0.000 0.937 462 S HN 0.550 nan 8.310 nan 0.000 0.490 463 M N 3.671 123.261 119.600 -0.016 0.000 2.200 463 M HA 0.043 4.524 4.480 0.001 0.000 0.265 463 M C 0.900 177.172 176.300 -0.047 0.000 1.066 463 M CA 0.599 55.874 55.300 -0.041 0.000 1.127 463 M CB -0.280 32.276 32.600 -0.074 0.000 1.379 463 M HN 0.852 nan 8.290 nan 0.000 0.420 464 S N -1.351 114.325 115.700 -0.040 0.000 2.655 464 S HA 0.119 4.590 4.470 0.001 0.000 0.266 464 S C 0.170 174.778 174.600 0.013 0.000 1.149 464 S CA -0.694 57.495 58.200 -0.018 0.000 0.818 464 S CB 0.631 63.814 63.200 -0.029 0.000 1.130 464 S HN 0.423 nan 8.310 nan 0.000 0.476 465 E N -0.648 119.577 120.200 0.042 0.000 2.396 465 E HA -0.094 4.256 4.350 0.001 0.000 0.200 465 E C 1.028 177.719 176.600 0.151 0.000 1.023 465 E CA 1.382 57.834 56.400 0.087 0.000 0.857 465 E CB -0.640 29.107 29.700 0.077 0.000 0.775 465 E HN 0.522 nan 8.360 nan 0.000 0.525 466 c N 0.807 119.458 118.600 0.086 0.000 2.634 466 c HA 0.088 4.658 4.570 0.001 0.000 0.268 466 c C 0.695 174.774 174.090 -0.019 0.000 1.322 466 c CA -0.105 56.281 56.329 0.094 0.000 1.737 466 c CB -0.650 41.857 42.510 -0.004 0.000 1.976 466 c HN 0.405 nan 8.230 nan 0.000 0.547 467 D N 1.612 121.975 120.400 -0.061 0.000 2.464 467 D HA 0.237 4.878 4.640 0.001 0.000 0.243 467 D C -2.560 173.698 176.300 -0.070 0.000 1.104 467 D CA -2.046 51.930 54.000 -0.041 0.000 0.883 467 D CB 1.025 41.813 40.800 -0.020 0.000 1.050 467 D HN 0.148 nan 8.370 nan 0.000 0.524 468 P HA 0.203 nan 4.420 nan 0.000 0.271 468 P C -0.218 177.035 177.300 -0.079 0.000 1.220 468 P CA -0.408 62.615 63.100 -0.129 0.000 0.768 468 P CB 1.111 32.684 31.700 -0.212 0.000 0.848 469 A N 3.870 126.651 122.820 -0.066 0.000 2.386 469 A HA 0.199 4.519 4.320 0.001 0.000 0.246 469 A C 0.316 177.722 177.584 -0.296 0.000 1.089 469 A CA 0.118 52.057 52.037 -0.164 0.000 0.790 469 A CB -0.239 18.649 19.000 -0.187 0.000 1.042 469 A HN 0.540 nan 8.150 nan 0.000 0.497 470 E N 0.007 119.982 120.200 -0.375 0.000 2.222 470 E HA 0.606 4.956 4.350 0.001 0.000 0.267 470 E C -0.768 175.482 176.600 -0.583 0.000 0.963 470 E CA -0.353 55.836 56.400 -0.352 0.000 0.837 470 E CB 1.265 30.858 29.700 -0.178 0.000 1.183 470 E HN 0.666 nan 8.360 nan 0.000 0.403 471 H N -0.578 118.477 119.070 -0.025 0.000 2.821 471 H HA 0.401 4.958 4.556 0.001 0.000 0.373 471 H C -0.648 174.663 175.328 -0.029 0.000 1.165 471 H CA -0.884 55.152 56.048 -0.020 0.000 1.154 471 H CB 1.029 30.782 29.762 -0.014 0.000 1.765 471 H HN 0.463 nan 8.280 nan 0.000 0.549 472 c N 1.433 120.092 118.600 0.099 0.000 2.604 472 c HA 0.083 4.653 4.570 0.001 0.000 0.396 472 c C 2.233 176.331 174.090 0.014 0.000 1.282 472 c CA -0.007 56.339 56.329 0.028 0.000 2.292 472 c CB 0.446 42.971 42.510 0.024 0.000 2.633 472 c HN 0.937 nan 8.230 nan 0.000 0.620 473 T N -1.300 113.229 114.554 -0.042 0.000 3.035 473 T HA 0.281 4.631 4.350 0.001 0.000 0.259 473 T C 1.467 176.135 174.700 -0.053 0.000 1.078 473 T CA 1.136 63.203 62.100 -0.054 0.000 1.132 473 T CB -0.090 68.723 68.868 -0.092 0.000 0.900 473 T HN 1.650 nan 8.240 nan 0.000 0.480 474 G N 0.962 109.721 108.800 -0.069 0.000 2.213 474 G HA2 -0.229 3.732 3.960 0.001 0.000 0.226 474 G HA3 -0.229 3.732 3.960 0.001 0.000 0.226 474 G C 0.740 175.624 174.900 -0.026 0.000 0.992 474 G CA 0.307 45.407 45.100 -0.001 0.000 0.632 474 G HN 0.569 nan 8.290 nan 0.000 0.511 475 Q N -0.424 119.215 119.800 -0.268 0.000 2.140 475 Q HA 0.433 4.773 4.340 0.001 0.000 0.227 475 Q C 0.499 175.761 176.000 -1.230 0.000 0.798 475 Q CA 0.647 56.182 55.803 -0.447 0.000 0.987 475 Q CB 1.520 30.177 28.738 -0.135 0.000 1.161 475 Q HN 0.366 nan 8.270 nan 0.000 0.480 476 S N -0.294 114.763 115.700 -1.072 0.000 2.568 476 S HA 0.351 4.821 4.470 0.001 0.000 0.293 476 S C 0.615 174.820 174.600 -0.657 0.000 1.089 476 S CA -0.367 57.325 58.200 -0.846 0.000 0.945 476 S CB 1.582 64.570 63.200 -0.352 0.000 1.077 476 S HN 0.192 nan 8.310 nan 0.000 0.485 477 S N 1.646 117.191 115.700 -0.259 0.000 2.502 477 S HA 0.284 4.754 4.470 0.001 0.000 0.215 477 S C -0.046 174.582 174.600 0.047 0.000 1.009 477 S CA -0.258 57.986 58.200 0.075 0.000 0.908 477 S CB -0.151 63.221 63.200 0.287 0.000 0.801 477 S HN 0.673 nan 8.310 nan 0.000 0.505 478 E N 1.376 121.575 120.200 -0.001 0.000 2.197 478 E HA 0.285 4.635 4.350 0.001 0.000 0.281 478 E C -0.679 175.905 176.600 -0.026 0.000 0.995 478 E CA -0.607 55.800 56.400 0.012 0.000 0.808 478 E CB 1.430 31.140 29.700 0.016 0.000 1.093 478 E HN 0.299 nan 8.360 nan 0.000 0.394 479 c N 5.840 124.427 118.600 -0.022 0.000 2.632 479 c HA 0.246 4.816 4.570 0.001 0.000 0.415 479 c C -1.698 172.362 174.090 -0.052 0.000 1.332 479 c CA -1.263 55.042 56.329 -0.039 0.000 1.874 479 c CB -0.537 41.947 42.510 -0.042 0.000 2.596 479 c HN 0.527 nan 8.230 nan 0.000 0.590 480 P HA 0.200 nan 4.420 nan 0.000 0.269 480 P C -0.451 176.797 177.300 -0.087 0.000 1.217 480 P CA 0.081 63.141 63.100 -0.067 0.000 0.783 480 P CB 0.445 32.110 31.700 -0.059 0.000 0.898 481 A N 1.793 124.555 122.820 -0.095 0.000 2.531 481 A HA -0.001 4.319 4.320 0.001 0.000 0.236 481 A C 0.582 178.062 177.584 -0.174 0.000 1.062 481 A CA 0.021 51.982 52.037 -0.126 0.000 0.760 481 A CB -0.540 18.387 19.000 -0.122 0.000 0.995 481 A HN 0.583 nan 8.150 nan 0.000 0.501 482 D N 0.872 121.136 120.400 -0.228 0.000 2.533 482 D HA 0.262 4.902 4.640 0.001 0.000 0.236 482 D C -0.438 175.582 176.300 -0.467 0.000 1.137 482 D CA 0.694 54.490 54.000 -0.340 0.000 0.867 482 D CB 0.413 40.957 40.800 -0.427 0.000 1.170 482 D HN 0.168 nan 8.370 nan 0.000 0.474 483 V N 5.218 124.895 119.914 -0.395 0.000 2.540 483 V HA 0.460 4.580 4.120 0.001 0.000 0.302 483 V C -0.049 175.898 176.094 -0.246 0.000 1.035 483 V CA -0.766 61.337 62.300 -0.328 0.000 0.873 483 V CB 1.278 33.004 31.823 -0.163 0.000 0.992 483 V HN 0.391 nan 8.190 nan 0.000 0.428 484 F N 2.245 122.106 119.950 -0.149 0.000 2.538 484 F HA 0.574 5.101 4.527 0.001 0.000 0.325 484 F C 0.617 176.333 175.800 -0.139 0.000 1.066 484 F CA -1.148 56.745 58.000 -0.179 0.000 0.946 484 F CB 1.726 40.645 39.000 -0.136 0.000 1.199 484 F HN 0.486 nan 8.300 nan 0.000 0.473 485 H N 1.367 120.532 119.070 0.159 0.000 2.679 485 H HA 0.154 4.710 4.556 0.001 0.000 0.369 485 H C -0.311 175.038 175.328 0.034 0.000 1.178 485 H CA -0.296 55.794 56.048 0.070 0.000 1.419 485 H CB 0.754 30.544 29.762 0.046 0.000 1.458 485 H HN 0.386 nan 8.280 nan 0.000 0.605 486 K N 2.194 122.690 120.400 0.160 0.000 2.524 486 K HA -0.036 4.284 4.320 0.001 0.000 0.279 486 K C 0.258 176.838 176.600 -0.033 0.000 0.993 486 K CA -0.083 56.233 56.287 0.047 0.000 1.030 486 K CB 0.279 32.805 32.500 0.044 0.000 0.891 486 K HN 0.442 nan 8.250 nan 0.000 0.488 487 N N 0.902 119.486 118.700 -0.194 0.000 2.479 487 N HA 0.063 4.803 4.740 0.001 0.000 0.257 487 N C 1.189 176.489 175.510 -0.350 0.000 1.232 487 N CA 1.065 53.830 53.050 -0.476 0.000 0.920 487 N CB 0.970 38.774 38.487 -1.138 0.000 1.105 487 N HN 0.824 nan 8.380 nan 0.000 0.444 488 G N 0.009 108.724 108.800 -0.141 0.000 2.213 488 G HA2 -0.277 3.684 3.960 0.001 0.000 0.236 488 G HA3 -0.277 3.684 3.960 0.001 0.000 0.236 488 G C 0.134 175.156 174.900 0.203 0.000 0.991 488 G CA 0.169 45.368 45.100 0.166 0.000 0.629 488 G HN 0.697 nan 8.290 nan 0.000 0.517 489 Q N 2.316 122.210 119.800 0.157 0.000 2.313 489 Q HA 0.416 4.756 4.340 0.001 0.000 0.266 489 Q C -2.005 174.137 176.000 0.238 0.000 0.989 489 Q CA -1.488 54.410 55.803 0.158 0.000 0.890 489 Q CB 0.934 29.718 28.738 0.078 0.000 1.200 489 Q HN 0.315 nan 8.270 nan 0.000 0.396 490 P HA -0.013 nan 4.420 nan 0.000 0.268 490 P C -0.720 176.590 177.300 0.017 0.000 1.204 490 P CA -0.100 63.053 63.100 0.089 0.000 0.768 490 P CB 0.359 32.097 31.700 0.063 0.000 0.842 491 c N 1.339 119.913 118.600 -0.042 0.000 3.171 491 c HA 0.572 5.142 4.570 0.001 0.000 0.308 491 c C 0.371 174.469 174.090 0.013 0.000 1.334 491 c CA -1.240 55.095 56.329 0.009 0.000 1.473 491 c CB 0.294 42.832 42.510 0.047 0.000 1.866 491 c HN 0.600 nan 8.230 nan 0.000 0.465 492 L N 1.559 122.816 121.223 0.057 0.000 3.746 492 L HA -0.168 4.172 4.340 0.001 0.000 0.542 492 L C -0.132 176.821 176.870 0.138 0.000 1.268 492 L CA 1.142 56.041 54.840 0.098 0.000 0.818 492 L CB -1.583 40.551 42.059 0.125 0.000 1.472 492 L HN 1.033 nan 8.230 nan 0.000 0.843 493 D N 0.162 120.618 120.400 0.094 0.000 2.701 493 D HA -0.244 4.396 4.640 0.001 0.000 0.235 493 D C 0.991 177.303 176.300 0.019 0.000 1.155 493 D CA 1.472 55.528 54.000 0.094 0.000 0.649 493 D CB -0.880 40.023 40.800 0.171 0.000 1.050 493 D HN 0.856 nan 8.370 nan 0.000 0.425 494 N N -2.189 116.464 118.700 -0.077 0.000 2.909 494 N HA -0.282 4.458 4.740 0.001 0.000 0.242 494 N C 0.235 175.520 175.510 -0.375 0.000 0.975 494 N CA 1.265 54.169 53.050 -0.243 0.000 0.921 494 N CB -1.575 36.764 38.487 -0.248 0.000 1.112 494 N HN 0.497 nan 8.380 nan 0.000 0.581 495 Y N -0.651 119.551 120.300 -0.164 0.000 2.529 495 Y HA 0.408 4.958 4.550 0.001 0.000 0.290 495 Y C 1.768 177.558 175.900 -0.184 0.000 1.177 495 Y CA 0.949 58.961 58.100 -0.147 0.000 1.305 495 Y CB 0.469 38.873 38.460 -0.093 0.000 1.047 495 Y HN 0.301 nan 8.280 nan 0.000 0.522 496 G N -1.938 106.739 108.800 -0.206 0.000 2.619 496 G HA2 0.492 4.453 3.960 0.001 0.000 0.305 496 G HA3 0.492 4.453 3.960 0.001 0.000 0.305 496 G C -2.216 172.383 174.900 -0.502 0.000 1.330 496 G CA -0.721 44.239 45.100 -0.233 0.000 0.789 496 G HN -0.087 nan 8.290 nan 0.000 0.487 497 Y N -1.193 119.163 120.300 0.092 0.000 2.504 497 Y HA 0.446 4.996 4.550 0.001 0.000 0.344 497 Y C 0.485 176.444 175.900 0.098 0.000 1.023 497 Y CA -0.899 57.258 58.100 0.096 0.000 1.020 497 Y CB 1.853 40.391 38.460 0.130 0.000 1.282 497 Y HN 0.651 nan 8.280 nan 0.000 0.454 498 c N 2.444 121.174 118.600 0.216 0.000 2.634 498 c HA 0.040 4.610 4.570 0.001 0.000 0.417 498 c C -0.313 173.838 174.090 0.101 0.000 1.334 498 c CA 0.287 56.684 56.329 0.113 0.000 1.829 498 c CB -1.377 41.171 42.510 0.063 0.000 2.665 498 c HN 0.679 nan 8.230 nan 0.000 0.614 499 Y N 2.944 123.191 120.300 -0.088 0.000 2.317 499 Y HA 0.283 4.833 4.550 0.001 0.000 0.329 499 Y C 0.355 176.152 175.900 -0.172 0.000 1.101 499 Y CA -0.860 57.168 58.100 -0.121 0.000 1.228 499 Y CB 0.011 38.467 38.460 -0.007 0.000 1.123 499 Y HN 0.962 nan 8.280 nan 0.000 0.457 500 N N 4.220 122.541 118.700 -0.632 0.000 2.727 500 N HA -0.243 4.497 4.740 0.001 0.000 0.249 500 N C 0.897 175.775 175.510 -1.054 0.000 1.048 500 N CA 0.892 53.568 53.050 -0.623 0.000 0.714 500 N CB -0.861 37.233 38.487 -0.656 0.000 0.959 500 N HN 1.255 nan 8.380 nan 0.000 0.544 501 G N -1.650 106.583 108.800 -0.946 0.000 2.176 501 G HA2 -0.299 3.662 3.960 0.001 0.000 0.253 501 G HA3 -0.299 3.662 3.960 0.001 0.000 0.253 501 G C -0.096 174.496 174.900 -0.513 0.000 0.979 501 G CA 0.368 44.805 45.100 -1.105 0.000 0.641 501 G HN 0.508 nan 8.290 nan 0.000 0.530 502 N N -1.200 117.310 118.700 -0.318 0.000 2.469 502 N HA 0.569 5.310 4.740 0.001 0.000 0.286 502 N C -0.821 174.686 175.510 -0.006 0.000 1.275 502 N CA 0.107 53.081 53.050 -0.127 0.000 0.790 502 N CB 1.825 40.259 38.487 -0.087 0.000 1.446 502 N HN 0.262 nan 8.380 nan 0.000 0.501 503 c N 3.056 121.681 118.600 0.042 0.000 3.075 503 c HA 0.366 4.937 4.570 0.001 0.000 0.262 503 c C -2.341 171.825 174.090 0.127 0.000 1.371 503 c CA -1.654 54.730 56.329 0.093 0.000 1.594 503 c CB -1.134 41.428 42.510 0.087 0.000 1.849 503 c HN 0.436 nan 8.230 nan 0.000 0.475 504 P HA 0.203 nan 4.420 nan 0.000 0.262 504 P C -0.560 176.805 177.300 0.108 0.000 1.199 504 P CA 0.863 64.035 63.100 0.119 0.000 0.763 504 P CB 0.397 32.154 31.700 0.095 0.000 0.790 505 I N -0.437 120.197 120.570 0.107 0.000 2.730 505 I HA 0.328 4.498 4.170 0.001 0.000 0.298 505 I C 1.397 177.553 176.117 0.064 0.000 1.089 505 I CA -1.514 59.824 61.300 0.064 0.000 1.041 505 I CB 1.993 39.998 38.000 0.008 0.000 1.235 505 I HN 0.064 nan 8.210 nan 0.000 0.423 506 M N 1.975 121.633 119.600 0.096 0.000 2.260 506 M HA -0.192 4.289 4.480 0.001 0.000 0.261 506 M C 1.741 178.148 176.300 0.178 0.000 1.066 506 M CA 2.188 57.571 55.300 0.139 0.000 1.082 506 M CB -0.383 32.322 32.600 0.176 0.000 1.388 506 M HN 0.867 nan 8.290 nan 0.000 0.419 507 Y N 0.643 120.942 120.300 -0.001 0.000 2.163 507 Y HA -0.244 4.306 4.550 0.001 0.000 0.288 507 Y C 2.390 178.323 175.900 0.054 0.000 1.136 507 Y CA 1.708 59.811 58.100 0.005 0.000 1.147 507 Y CB -0.737 37.652 38.460 -0.118 0.000 0.987 507 Y HN 0.256 nan 8.280 nan 0.000 0.509 508 H N 0.118 119.079 119.070 -0.181 0.000 2.389 508 H HA -0.112 4.444 4.556 0.001 0.000 0.299 508 H C 2.164 177.420 175.328 -0.119 0.000 1.081 508 H CA 1.729 57.623 56.048 -0.257 0.000 1.345 508 H CB -0.432 29.251 29.762 -0.131 0.000 1.393 508 H HN 0.527 nan 8.280 nan 0.000 0.520 509 Q N -0.365 119.463 119.800 0.048 0.000 2.084 509 Q HA -0.122 4.218 4.340 0.001 0.000 0.202 509 Q C 2.659 178.606 176.000 -0.089 0.000 0.978 509 Q CA 1.569 57.353 55.803 -0.031 0.000 0.844 509 Q CB -0.078 28.654 28.738 -0.011 0.000 0.898 509 Q HN 0.359 nan 8.270 nan 0.000 0.426 510 c N -0.455 118.151 118.600 0.010 0.000 2.429 510 c HA -0.162 4.408 4.570 0.001 0.000 0.277 510 c C 2.472 176.545 174.090 -0.029 0.000 1.262 510 c CA 0.596 56.962 56.329 0.062 0.000 1.733 510 c CB -0.951 41.683 42.510 0.207 0.000 2.010 510 c HN 0.564 nan 8.230 nan 0.000 0.483 511 Y N 2.399 122.600 120.300 -0.165 0.000 2.145 511 Y HA -0.175 4.376 4.550 0.001 0.000 0.286 511 Y C 2.032 177.815 175.900 -0.196 0.000 1.145 511 Y CA 2.085 60.068 58.100 -0.196 0.000 1.148 511 Y CB -0.594 37.684 38.460 -0.304 0.000 0.981 511 Y HN 0.320 nan 8.280 nan 0.000 0.507 512 D N -0.033 120.161 120.400 -0.344 0.000 2.264 512 D HA -0.129 4.511 4.640 0.001 0.000 0.208 512 D C 2.117 178.106 176.300 -0.519 0.000 0.966 512 D CA 1.190 54.934 54.000 -0.428 0.000 0.864 512 D CB -0.164 40.490 40.800 -0.242 0.000 0.933 512 D HN 0.424 nan 8.370 nan 0.000 0.499 513 L N -1.471 119.377 121.223 -0.625 0.000 2.202 513 L HA 0.076 4.416 4.340 0.001 0.000 0.205 513 L C 1.051 177.295 176.870 -1.043 0.000 1.083 513 L CA 0.639 54.876 54.840 -1.004 0.000 0.790 513 L CB 0.118 41.305 42.059 -1.452 0.000 0.942 513 L HN -0.046 nan 8.230 nan 0.000 0.452 514 F N -1.169 118.662 119.950 -0.199 0.000 2.838 514 F HA 0.453 4.981 4.527 0.001 0.000 0.329 514 F C 1.181 176.863 175.800 -0.198 0.000 1.116 514 F CA 0.021 57.932 58.000 -0.148 0.000 1.155 514 F CB 0.472 39.422 39.000 -0.082 0.000 1.106 514 F HN 0.041 nan 8.300 nan 0.000 0.538 515 G N 1.503 110.140 108.800 -0.271 0.000 2.584 515 G HA2 0.045 4.005 3.960 0.001 0.000 0.229 515 G HA3 0.045 4.005 3.960 0.001 0.000 0.229 515 G C -0.162 174.746 174.900 0.013 0.000 1.320 515 G CA -0.681 44.238 45.100 -0.301 0.000 0.891 515 G HN 0.606 nan 8.290 nan 0.000 0.573 516 A N -0.802 122.123 122.820 0.176 0.000 2.332 516 A HA 0.575 4.895 4.320 0.001 0.000 0.258 516 A C 1.097 178.713 177.584 0.054 0.000 1.087 516 A CA 1.303 53.463 52.037 0.204 0.000 0.802 516 A CB 0.040 19.158 19.000 0.196 0.000 1.042 516 A HN 1.793 nan 8.150 nan 0.000 0.489 517 D N -1.590 118.806 120.400 -0.008 0.000 3.068 517 D HA -0.132 4.508 4.640 0.001 0.000 0.218 517 D C -0.555 175.601 176.300 -0.240 0.000 1.145 517 D CA 1.294 55.279 54.000 -0.026 0.000 0.896 517 D CB -1.698 39.144 40.800 0.069 0.000 1.105 517 D HN 0.332 nan 8.370 nan 0.000 0.423 518 V N 0.715 120.294 119.914 -0.559 0.000 2.588 518 V HA 0.631 4.751 4.120 0.001 0.000 0.304 518 V C -0.212 175.466 176.094 -0.693 0.000 1.042 518 V CA -0.594 61.469 62.300 -0.393 0.000 0.877 518 V CB 1.917 33.713 31.823 -0.044 0.000 0.996 518 V HN 0.063 nan 8.190 nan 0.000 0.425 519 Y N 0.374 120.805 120.300 0.219 0.000 2.818 519 Y HA 0.444 4.995 4.550 0.001 0.000 0.322 519 Y C 0.283 176.313 175.900 0.216 0.000 1.323 519 Y CA -1.210 57.034 58.100 0.241 0.000 1.090 519 Y CB 0.919 39.455 38.460 0.126 0.000 1.328 519 Y HN 0.567 nan 8.280 nan 0.000 0.482 520 E N 1.495 121.935 120.200 0.400 0.000 2.415 520 E HA 0.359 4.710 4.350 0.001 0.000 0.260 520 E C -0.345 176.453 176.600 0.330 0.000 1.016 520 E CA -0.212 56.403 56.400 0.359 0.000 0.924 520 E CB 0.530 30.413 29.700 0.307 0.000 0.961 520 E HN 0.651 nan 8.360 nan 0.000 0.459 521 A N 4.988 128.016 122.820 0.348 0.000 2.429 521 A HA 0.038 4.358 4.320 0.001 0.000 0.242 521 A C 0.210 177.982 177.584 0.312 0.000 1.088 521 A CA -0.327 51.864 52.037 0.257 0.000 0.784 521 A CB 0.322 19.402 19.000 0.133 0.000 1.038 521 A HN 0.722 nan 8.150 nan 0.000 0.501 522 E N 0.306 120.620 120.200 0.189 0.000 2.404 522 E HA 0.003 4.353 4.350 0.001 0.000 0.261 522 E C 0.406 177.140 176.600 0.223 0.000 1.074 522 E CA -0.123 56.372 56.400 0.158 0.000 0.917 522 E CB 0.383 30.133 29.700 0.084 0.000 0.965 522 E HN 0.595 nan 8.360 nan 0.000 0.433 523 D N 1.032 121.529 120.400 0.163 0.000 2.157 523 D HA -0.221 4.420 4.640 0.001 0.000 0.191 523 D C 1.823 178.223 176.300 0.166 0.000 1.004 523 D CA 2.231 56.324 54.000 0.153 0.000 0.854 523 D CB -0.357 40.468 40.800 0.042 0.000 0.936 523 D HN 0.500 nan 8.370 nan 0.000 0.446 524 S N -0.246 115.501 115.700 0.079 0.000 2.392 524 S HA -0.253 4.217 4.470 0.001 0.000 0.232 524 S C 2.355 176.932 174.600 -0.038 0.000 1.041 524 S CA 1.325 59.537 58.200 0.021 0.000 1.026 524 S CB -1.032 62.168 63.200 -0.000 0.000 0.845 524 S HN 0.379 nan 8.310 nan 0.000 0.465 525 c N 0.989 119.555 118.600 -0.057 0.000 2.398 525 c HA -0.027 4.543 4.570 0.001 0.000 0.276 525 c C 2.337 176.008 174.090 -0.699 0.000 1.222 525 c CA 0.885 57.005 56.329 -0.347 0.000 1.746 525 c CB -1.910 40.401 42.510 -0.332 0.000 2.039 525 c HN 0.650 nan 8.230 nan 0.000 0.470 526 F N 1.186 120.906 119.950 -0.384 0.000 2.408 526 F HA -0.078 4.449 4.527 0.001 0.000 0.300 526 F C 2.233 177.924 175.800 -0.182 0.000 1.090 526 F CA 0.957 58.802 58.000 -0.259 0.000 1.427 526 F CB -0.652 38.364 39.000 0.027 0.000 1.070 526 F HN 0.289 nan 8.300 nan 0.000 0.549 527 E N 0.258 120.444 120.200 -0.025 0.000 2.333 527 E HA -0.147 4.204 4.350 0.001 0.000 0.198 527 E C 2.117 178.681 176.600 -0.059 0.000 1.007 527 E CA 0.467 56.858 56.400 -0.016 0.000 0.845 527 E CB -0.385 29.302 29.700 -0.022 0.000 0.766 527 E HN 0.461 nan 8.360 nan 0.000 0.507 528 R N 0.553 120.952 120.500 -0.168 0.000 2.159 528 R HA -0.061 4.279 4.340 0.001 0.000 0.237 528 R C 1.651 177.941 176.300 -0.016 0.000 1.131 528 R CA 0.947 56.984 56.100 -0.104 0.000 0.982 528 R CB -0.305 29.930 30.300 -0.108 0.000 0.868 528 R HN 0.288 nan 8.270 nan 0.000 0.453 529 N N 0.507 119.246 118.700 0.066 0.000 2.573 529 N HA -0.134 4.606 4.740 0.001 0.000 0.187 529 N C 1.032 176.570 175.510 0.046 0.000 1.107 529 N CA 0.378 53.486 53.050 0.097 0.000 0.918 529 N CB 0.140 38.741 38.487 0.190 0.000 0.966 529 N HN 0.339 nan 8.380 nan 0.000 0.448 530 Q N 0.122 119.934 119.800 0.019 0.000 2.425 530 Q HA 0.040 4.380 4.340 0.001 0.000 0.204 530 Q C 1.131 177.128 176.000 -0.006 0.000 0.933 530 Q CA 0.448 56.260 55.803 0.015 0.000 0.939 530 Q CB 0.315 29.060 28.738 0.012 0.000 1.044 530 Q HN 0.354 nan 8.270 nan 0.000 0.513 531 K N 0.028 120.404 120.400 -0.040 0.000 2.167 531 K HA 0.013 4.333 4.320 0.001 0.000 0.203 531 K C 1.184 177.754 176.600 -0.050 0.000 1.052 531 K CA 0.728 56.976 56.287 -0.065 0.000 0.956 531 K CB 0.082 32.501 32.500 -0.135 0.000 0.735 531 K HN 0.279 nan 8.250 nan 0.000 0.451 532 G N 3.045 111.831 108.800 -0.024 0.000 2.198 532 G HA2 -0.284 3.676 3.960 0.001 0.000 0.260 532 G HA3 -0.284 3.676 3.960 0.001 0.000 0.260 532 G C 0.012 174.898 174.900 -0.024 0.000 1.025 532 G CA 0.571 45.683 45.100 0.020 0.000 0.769 532 G HN 0.473 nan 8.290 nan 0.000 0.507 533 N N 0.010 118.642 118.700 -0.113 0.000 2.385 533 N HA 0.306 5.047 4.740 0.001 0.000 0.291 533 N C 1.662 177.113 175.510 -0.099 0.000 1.298 533 N CA 0.133 53.097 53.050 -0.143 0.000 0.955 533 N CB -0.404 37.911 38.487 -0.288 0.000 1.096 533 N HN 0.619 nan 8.380 nan 0.000 0.543 534 Y N -1.000 119.209 120.300 -0.151 0.000 2.333 534 Y HA -0.109 4.441 4.550 0.000 0.000 0.290 534 Y C 1.621 177.479 175.900 -0.069 0.000 1.144 534 Y CA 1.363 59.393 58.100 -0.118 0.000 1.228 534 Y CB -0.667 37.681 38.460 -0.186 0.000 0.985 534 Y HN 0.588 nan 8.280 nan 0.000 0.542 535 Y N -1.076 118.907 120.300 -0.528 0.000 2.512 535 Y HA 0.578 5.129 4.550 0.001 0.000 0.268 535 Y C 1.183 176.951 175.900 -0.221 0.000 1.102 535 Y CA -0.794 57.101 58.100 -0.343 0.000 1.261 535 Y CB -0.381 37.687 38.460 -0.654 0.000 1.250 535 Y HN -0.038 nan 8.280 nan 0.000 0.506 536 G N 1.802 110.196 108.800 -0.677 0.000 2.448 536 G HA2 0.449 4.409 3.960 0.001 0.000 0.309 536 G HA3 0.449 4.409 3.960 0.001 0.000 0.309 536 G C -1.323 173.562 174.900 -0.025 0.000 1.027 536 G CA -0.011 44.897 45.100 -0.319 0.000 1.104 536 G HN 0.536 nan 8.290 nan 0.000 0.428 537 Y N -1.277 119.012 120.300 -0.017 0.000 2.779 537 Y HA 0.477 5.027 4.550 0.001 0.000 0.340 537 Y C 0.006 175.925 175.900 0.032 0.000 1.252 537 Y CA -1.371 56.729 58.100 0.000 0.000 1.072 537 Y CB 0.273 38.729 38.460 -0.006 0.000 1.343 537 Y HN 0.157 nan 8.280 nan 0.000 0.450 538 c N 0.492 119.234 118.600 0.236 0.000 2.487 538 c HA 0.461 5.032 4.570 0.001 0.000 0.311 538 c C 0.451 174.653 174.090 0.187 0.000 1.367 538 c CA 0.927 57.322 56.329 0.109 0.000 1.865 538 c CB -0.390 42.116 42.510 -0.005 0.000 2.277 538 c HN 0.858 nan 8.230 nan 0.000 0.521 539 R N -0.548 120.119 120.500 0.278 0.000 2.756 539 R HA 0.496 4.837 4.340 0.001 0.000 0.273 539 R C -1.864 174.503 176.300 0.112 0.000 1.030 539 R CA -0.764 55.463 56.100 0.212 0.000 0.887 539 R CB 0.927 31.272 30.300 0.076 0.000 1.274 539 R HN -0.028 nan 8.270 nan 0.000 0.461 540 K N 0.548 120.982 120.400 0.057 0.000 2.316 540 K HA 0.391 4.712 4.320 0.001 0.000 0.251 540 K C -1.122 175.478 176.600 0.000 0.000 0.934 540 K CA -0.925 55.349 56.287 -0.021 0.000 0.802 540 K CB 1.982 34.462 32.500 -0.034 0.000 1.171 540 K HN 0.452 nan 8.250 nan 0.000 0.426 541 E N 2.060 122.253 120.200 -0.011 0.000 2.317 541 E HA 0.143 4.493 4.350 0.001 0.000 0.270 541 E C -1.092 175.506 176.600 -0.002 0.000 0.899 541 E CA -0.455 55.947 56.400 0.003 0.000 0.814 541 E CB 1.296 31.004 29.700 0.014 0.000 1.296 541 E HN 0.746 nan 8.360 nan 0.000 0.404 542 N N 1.571 120.273 118.700 0.003 0.000 2.754 542 N HA -0.252 4.488 4.740 0.001 0.000 0.248 542 N C 0.675 176.184 175.510 -0.001 0.000 1.093 542 N CA 0.282 53.335 53.050 0.006 0.000 0.699 542 N CB -0.783 37.710 38.487 0.010 0.000 1.016 542 N HN 0.892 nan 8.380 nan 0.000 0.552 543 G N -0.825 107.970 108.800 -0.008 0.000 2.168 543 G HA2 -0.335 3.626 3.960 0.001 0.000 0.257 543 G HA3 -0.335 3.626 3.960 0.001 0.000 0.257 543 G C -0.267 174.611 174.900 -0.037 0.000 0.997 543 G CA 0.345 45.436 45.100 -0.015 0.000 0.708 543 G HN 0.554 nan 8.290 nan 0.000 0.520 544 N N 0.250 118.922 118.700 -0.048 0.000 2.399 544 N HA 0.379 5.119 4.740 0.001 0.000 0.295 544 N C -0.190 175.243 175.510 -0.127 0.000 1.048 544 N CA -0.435 52.575 53.050 -0.067 0.000 0.886 544 N CB 1.243 39.709 38.487 -0.035 0.000 1.185 544 N HN 0.244 nan 8.380 nan 0.000 0.487 545 K N 1.877 122.163 120.400 -0.190 0.000 2.285 545 K HA 0.339 4.660 4.320 0.001 0.000 0.286 545 K C -0.188 176.334 176.600 -0.130 0.000 1.072 545 K CA -0.341 55.744 56.287 -0.338 0.000 0.913 545 K CB 0.945 33.137 32.500 -0.513 0.000 1.067 545 K HN 0.346 nan 8.250 nan 0.000 0.479 546 I N 6.694 127.234 120.570 -0.050 0.000 2.304 546 I HA 0.182 4.353 4.170 0.001 0.000 0.291 546 I C -1.825 174.350 176.117 0.097 0.000 1.018 546 I CA -3.041 58.277 61.300 0.030 0.000 1.260 546 I CB 0.588 38.611 38.000 0.038 0.000 1.390 546 I HN 0.391 nan 8.210 nan 0.000 0.475 547 P HA 0.050 nan 4.420 nan 0.000 0.270 547 P C -0.432 176.911 177.300 0.072 0.000 1.223 547 P CA -0.269 62.882 63.100 0.084 0.000 0.785 547 P CB 0.739 32.466 31.700 0.045 0.000 0.923 548 c N 1.677 120.318 118.600 0.068 0.000 2.593 548 c HA 0.481 5.051 4.570 0.001 0.000 0.409 548 c C 1.323 175.445 174.090 0.052 0.000 1.304 548 c CA -0.172 56.188 56.329 0.051 0.000 2.007 548 c CB -0.145 42.401 42.510 0.060 0.000 2.614 548 c HN 0.612 nan 8.230 nan 0.000 0.585 549 A N 5.014 127.870 122.820 0.060 0.000 2.407 549 A HA 0.369 4.689 4.320 0.001 0.000 0.248 549 A C -1.075 176.540 177.584 0.052 0.000 1.082 549 A CA -0.769 51.305 52.037 0.062 0.000 0.785 549 A CB -0.227 18.824 19.000 0.086 0.000 1.020 549 A HN 0.725 nan 8.150 nan 0.000 0.489 550 P HA -0.233 nan 4.420 nan 0.000 0.219 550 P C 1.142 178.461 177.300 0.030 0.000 1.151 550 P CA 1.997 65.116 63.100 0.032 0.000 0.850 550 P CB 0.288 32.002 31.700 0.023 0.000 0.784 551 E N -1.055 119.166 120.200 0.035 0.000 2.230 551 E HA -0.099 4.251 4.350 0.001 0.000 0.192 551 E C 0.607 177.229 176.600 0.036 0.000 0.987 551 E CA 0.526 56.944 56.400 0.030 0.000 0.841 551 E CB -0.082 29.636 29.700 0.031 0.000 0.783 551 E HN 0.206 nan 8.360 nan 0.000 0.481 552 D N 0.391 120.824 120.400 0.054 0.000 2.358 552 D HA -0.010 4.630 4.640 0.001 0.000 0.224 552 D C 1.407 177.730 176.300 0.038 0.000 1.123 552 D CA 0.025 54.052 54.000 0.045 0.000 0.833 552 D CB 0.993 41.818 40.800 0.041 0.000 0.946 552 D HN 0.053 nan 8.370 nan 0.000 0.505 553 V N 0.946 120.890 119.914 0.050 0.000 2.568 553 V HA -0.192 3.928 4.120 0.001 0.000 0.253 553 V C 2.041 178.224 176.094 0.149 0.000 1.072 553 V CA 1.464 63.826 62.300 0.104 0.000 1.084 553 V CB -0.135 31.750 31.823 0.102 0.000 0.676 553 V HN 0.084 nan 8.190 nan 0.000 0.469 554 K N -1.183 119.209 120.400 -0.014 0.000 2.487 554 K HA 0.104 4.424 4.320 0.001 0.000 0.192 554 K C 1.170 177.779 176.600 0.016 0.000 1.027 554 K CA 0.397 56.586 56.287 -0.164 0.000 1.054 554 K CB -0.279 32.023 32.500 -0.330 0.000 0.824 554 K HN 0.476 nan 8.250 nan 0.000 0.510 555 c N -0.070 118.564 118.600 0.057 0.000 3.000 555 c HA 0.291 4.862 4.570 0.001 0.000 0.286 555 c C 1.484 175.600 174.090 0.043 0.000 1.343 555 c CA -0.755 55.597 56.329 0.038 0.000 1.742 555 c CB -0.379 42.129 42.510 -0.004 0.000 2.200 555 c HN 0.441 nan 8.230 nan 0.000 0.621 556 G N 0.500 109.357 108.800 0.096 0.000 3.227 556 G HA2 0.402 4.362 3.960 0.001 0.000 0.171 556 G HA3 0.402 4.362 3.960 0.001 0.000 0.171 556 G C -0.175 174.703 174.900 -0.035 0.000 1.463 556 G CA -0.320 44.791 45.100 0.018 0.000 1.016 556 G HN 0.294 nan 8.290 nan 0.000 0.594 557 R N -0.294 120.128 120.500 -0.130 0.000 2.570 557 R HA 0.264 4.605 4.340 0.001 0.000 0.277 557 R C -0.286 175.826 176.300 -0.315 0.000 1.039 557 R CA -0.411 55.526 56.100 -0.272 0.000 1.065 557 R CB 0.154 30.252 30.300 -0.337 0.000 0.964 557 R HN 0.266 nan 8.270 nan 0.000 0.428 558 L N 5.525 126.568 121.223 -0.301 0.000 2.349 558 L HA 0.335 4.675 4.340 0.001 0.000 0.275 558 L C -1.382 175.146 176.870 -0.569 0.000 1.115 558 L CA 0.076 54.798 54.840 -0.196 0.000 0.820 558 L CB 0.380 42.423 42.059 -0.027 0.000 1.135 558 L HN 0.609 nan 8.230 nan 0.000 0.445 559 Y N 3.316 123.358 120.300 -0.430 0.000 2.409 559 Y HA 0.621 5.171 4.550 0.001 0.000 0.343 559 Y C -0.087 175.716 175.900 -0.162 0.000 0.973 559 Y CA -0.559 57.282 58.100 -0.433 0.000 1.064 559 Y CB 1.857 39.831 38.460 -0.809 0.000 1.207 559 Y HN 0.585 nan 8.280 nan 0.000 0.452 560 c N 2.104 120.747 118.600 0.071 0.000 2.626 560 c HA 0.534 5.104 4.570 0.001 0.000 0.310 560 c C -0.755 173.357 174.090 0.037 0.000 1.191 560 c CA -1.752 54.648 56.329 0.119 0.000 1.517 560 c CB 1.427 44.046 42.510 0.181 0.000 2.102 560 c HN 0.844 nan 8.230 nan 0.000 0.479 561 K N 0.690 121.148 120.400 0.096 0.000 2.258 561 K HA 0.504 4.824 4.320 0.001 0.000 0.284 561 K C -0.965 175.658 176.600 0.037 0.000 1.051 561 K CA 0.045 56.370 56.287 0.064 0.000 0.923 561 K CB 0.914 33.484 32.500 0.116 0.000 1.046 561 K HN 0.607 nan 8.250 nan 0.000 0.474 562 D N 2.627 123.010 120.400 -0.028 0.000 2.329 562 D HA 0.172 4.812 4.640 0.001 0.000 0.232 562 D C -0.616 175.683 176.300 -0.001 0.000 1.088 562 D CA -0.582 53.387 54.000 -0.051 0.000 0.835 562 D CB 0.736 41.453 40.800 -0.138 0.000 1.078 562 D HN 0.569 nan 8.370 nan 0.000 0.495 563 N N 1.877 120.599 118.700 0.036 0.000 2.351 563 N HA 0.032 4.773 4.740 0.001 0.000 0.254 563 N C -0.233 175.309 175.510 0.052 0.000 1.241 563 N CA -0.224 52.863 53.050 0.061 0.000 0.883 563 N CB 0.677 39.237 38.487 0.121 0.000 1.202 563 N HN 0.385 nan 8.380 nan 0.000 0.512 564 S N 1.449 117.164 115.700 0.025 0.000 2.579 564 S HA 0.307 4.777 4.470 0.001 0.000 0.275 564 S C -2.123 172.490 174.600 0.022 0.000 1.345 564 S CA -0.868 57.349 58.200 0.027 0.000 1.031 564 S CB 0.553 63.762 63.200 0.014 0.000 0.892 564 S HN 0.087 nan 8.310 nan 0.000 0.529 565 P HA 0.155 nan 4.420 nan 0.000 0.267 565 P C 1.175 178.481 177.300 0.010 0.000 1.195 565 P CA 1.213 64.324 63.100 0.020 0.000 0.773 565 P CB -0.115 31.597 31.700 0.021 0.000 0.837 566 G N 0.236 109.040 108.800 0.008 0.000 2.336 566 G HA2 -0.218 3.742 3.960 0.001 0.000 0.233 566 G HA3 -0.218 3.742 3.960 0.001 0.000 0.233 566 G C 0.147 175.046 174.900 -0.003 0.000 1.053 566 G CA 0.790 45.891 45.100 0.002 0.000 0.625 566 G HN 0.836 nan 8.290 nan 0.000 0.511 567 Q N -0.869 118.928 119.800 -0.005 0.000 0.000 567 Q HA 0.651 4.992 4.340 0.001 0.000 0.000 567 Q C -1.441 174.552 176.000 -0.011 0.000 0.000 567 Q CA -0.268 55.528 55.803 -0.011 0.000 0.000 567 Q CB 0.962 29.688 28.738 -0.021 0.000 0.000 567 Q HN 0.452 nan 8.270 nan 0.000 0.000 568 N N 0.383 119.073 118.700 -0.016 0.000 2.238 568 N HA 0.654 5.394 4.740 0.001 0.000 0.302 568 N C -1.915 173.576 175.510 -0.032 0.000 1.072 568 N CA -0.408 52.633 53.050 -0.015 0.000 0.792 568 N CB 1.221 39.705 38.487 -0.006 0.000 1.425 568 N HN 0.582 nan 8.380 nan 0.000 0.478 569 N N 2.765 121.443 118.700 -0.037 0.000 2.976 569 N HA 0.181 4.922 4.740 0.001 0.000 0.249 569 N C -2.387 173.094 175.510 -0.048 0.000 1.258 569 N CA -1.180 51.835 53.050 -0.058 0.000 0.864 569 N CB 1.629 40.055 38.487 -0.101 0.000 1.551 569 N HN 0.365 nan 8.380 nan 0.000 0.607 570 P HA 0.005 nan 4.420 nan 0.000 0.217 570 P C -0.068 177.222 177.300 -0.018 0.000 1.151 570 P CA 0.909 64.002 63.100 -0.012 0.000 0.828 570 P CB 0.269 31.962 31.700 -0.011 0.000 0.788 571 c N 1.639 120.215 118.600 -0.039 0.000 2.955 571 c HA 0.389 4.959 4.570 0.001 0.000 0.262 571 c C 0.566 174.647 174.090 -0.014 0.000 1.279 571 c CA -1.180 55.140 56.329 -0.014 0.000 1.615 571 c CB -1.242 41.229 42.510 -0.064 0.000 1.755 571 c HN 0.177 nan 8.230 nan 0.000 0.452 572 K N 3.035 123.368 120.400 -0.112 0.000 2.249 572 K HA 0.578 4.899 4.320 0.001 0.000 0.280 572 K C -0.144 176.306 176.600 -0.250 0.000 1.033 572 K CA 0.081 56.193 56.287 -0.292 0.000 0.946 572 K CB 0.580 32.729 32.500 -0.584 0.000 1.005 572 K HN 0.592 nan 8.250 nan 0.000 0.469 573 M N 5.292 124.750 119.600 -0.237 0.000 2.531 573 M HA 0.382 4.863 4.480 0.001 0.000 0.286 573 M C -2.214 174.155 176.300 0.116 0.000 1.232 573 M CA -0.745 54.469 55.300 -0.142 0.000 0.877 573 M CB 1.586 33.921 32.600 -0.442 0.000 1.726 573 M HN 0.678 nan 8.290 nan 0.000 0.463 574 F N 4.583 124.624 119.950 0.151 0.000 2.444 574 F HA 0.682 5.209 4.527 0.001 0.000 0.342 574 F C -2.229 173.634 175.800 0.105 0.000 1.121 574 F CA -0.449 57.653 58.000 0.170 0.000 0.997 574 F CB 0.989 40.043 39.000 0.090 0.000 1.130 574 F HN 0.578 nan 8.300 nan 0.000 0.454 575 Y N 4.521 124.597 120.300 -0.375 0.000 2.433 575 Y HA 0.551 5.101 4.550 0.001 0.000 0.337 575 Y C -1.443 174.301 175.900 -0.262 0.000 1.026 575 Y CA -0.604 57.429 58.100 -0.111 0.000 1.037 575 Y CB 1.767 40.268 38.460 0.068 0.000 1.245 575 Y HN 0.598 nan 8.280 nan 0.000 0.443 576 S N 4.499 119.668 115.700 -0.885 0.000 2.668 576 S HA 0.195 4.666 4.470 0.001 0.000 0.277 576 S C -0.295 173.942 174.600 -0.606 0.000 1.170 576 S CA -0.664 57.197 58.200 -0.565 0.000 0.994 576 S CB 0.337 63.433 63.200 -0.174 0.000 1.051 576 S HN 0.861 nan 8.310 nan 0.000 0.484 577 N N 3.716 122.172 118.700 -0.407 0.000 2.609 577 N HA -0.081 4.659 4.740 0.001 0.000 0.190 577 N C 0.918 176.390 175.510 -0.064 0.000 1.157 577 N CA 0.666 53.623 53.050 -0.156 0.000 0.918 577 N CB -0.157 38.364 38.487 0.057 0.000 0.978 577 N HN 0.853 nan 8.380 nan 0.000 0.448 578 E N -0.233 119.926 120.200 -0.070 0.000 2.152 578 E HA -0.130 4.220 4.350 0.001 0.000 0.192 578 E C -0.697 175.908 176.600 0.009 0.000 0.983 578 E CA 0.703 57.097 56.400 -0.010 0.000 0.818 578 E CB 0.194 29.902 29.700 0.014 0.000 0.758 578 E HN 0.288 nan 8.360 nan 0.000 0.467 579 D N -0.853 119.549 120.400 0.004 0.000 2.296 579 D HA 0.022 4.662 4.640 0.001 0.000 0.224 579 D C -0.371 175.964 176.300 0.058 0.000 1.324 579 D CA -0.134 53.899 54.000 0.055 0.000 0.940 579 D CB 0.581 41.429 40.800 0.079 0.000 1.492 579 D HN 0.012 nan 8.370 nan 0.000 0.531 580 E N 0.785 121.038 120.200 0.089 0.000 2.265 580 E HA -0.199 4.151 4.350 0.001 0.000 0.196 580 E C 0.982 177.734 176.600 0.254 0.000 0.996 580 E CA 0.612 57.112 56.400 0.166 0.000 0.832 580 E CB 0.146 30.044 29.700 0.329 0.000 0.756 580 E HN 0.519 nan 8.360 nan 0.000 0.491 581 H N 1.587 120.734 119.070 0.129 0.000 2.457 581 H HA 0.028 4.585 4.556 0.001 0.000 0.294 581 H C 0.640 175.990 175.328 0.036 0.000 1.064 581 H CA 0.903 57.009 56.048 0.096 0.000 1.330 581 H CB 0.157 29.957 29.762 0.064 0.000 1.395 581 H HN -0.170 nan 8.280 nan 0.000 0.541 582 K N -0.147 120.245 120.400 -0.013 0.000 2.412 582 K HA 0.152 4.472 4.320 0.001 0.000 0.284 582 K C 0.526 177.043 176.600 -0.138 0.000 1.046 582 K CA 0.806 56.991 56.287 -0.170 0.000 0.999 582 K CB -0.054 32.339 32.500 -0.179 0.000 0.941 582 K HN 0.610 nan 8.250 nan 0.000 0.474 583 G N 3.460 112.096 108.800 -0.272 0.000 2.201 583 G HA2 -0.172 3.788 3.960 0.001 0.000 0.212 583 G HA3 -0.172 3.788 3.960 0.001 0.000 0.212 583 G C -0.041 174.754 174.900 -0.175 0.000 0.994 583 G CA -0.333 44.676 45.100 -0.151 0.000 0.644 583 G HN 0.471 nan 8.290 nan 0.000 0.508 584 M N 1.545 120.987 119.600 -0.263 0.000 2.249 584 M HA 0.454 4.935 4.480 0.001 0.000 0.351 584 M C 1.054 177.229 176.300 -0.209 0.000 1.180 584 M CA -0.604 54.541 55.300 -0.259 0.000 1.127 584 M CB 1.208 33.604 32.600 -0.340 0.000 1.546 584 M HN -0.048 nan 8.290 nan 0.000 0.461 585 V N 4.411 124.268 119.914 -0.094 0.000 2.694 585 V HA -0.037 4.083 4.120 0.001 0.000 0.306 585 V C 0.755 176.815 176.094 -0.057 0.000 1.054 585 V CA -0.077 62.204 62.300 -0.032 0.000 1.161 585 V CB -0.192 31.658 31.823 0.045 0.000 0.916 585 V HN 0.635 nan 8.190 nan 0.000 0.490 586 L N 7.710 128.904 121.223 -0.049 0.000 2.452 586 L HA 0.297 4.637 4.340 0.001 0.000 0.267 586 L C -1.806 175.017 176.870 -0.078 0.000 1.188 586 L CA -1.542 53.277 54.840 -0.036 0.000 0.821 586 L CB 0.469 42.520 42.059 -0.014 0.000 1.102 586 L HN 0.467 nan 8.230 nan 0.000 0.470 587 P HA 0.054 nan 4.420 nan 0.000 0.271 587 P C 0.580 177.457 177.300 -0.705 0.000 1.216 587 P CA 0.411 63.325 63.100 -0.310 0.000 0.776 587 P CB 1.148 32.704 31.700 -0.241 0.000 0.881 588 G N 1.633 110.116 108.800 -0.528 0.000 2.175 588 G HA2 -0.183 3.777 3.960 0.001 0.000 0.244 588 G HA3 -0.183 3.777 3.960 0.001 0.000 0.244 588 G C 0.198 175.078 174.900 -0.033 0.000 0.982 588 G CA -0.013 44.863 45.100 -0.373 0.000 0.641 588 G HN 0.637 nan 8.290 nan 0.000 0.527 589 T N 1.130 115.662 114.554 -0.036 0.000 2.884 589 T HA 0.408 4.758 4.350 0.001 0.000 0.298 589 T C 0.529 175.287 174.700 0.096 0.000 0.998 589 T CA 0.124 62.252 62.100 0.047 0.000 1.124 589 T CB 1.552 70.436 68.868 0.027 0.000 0.931 589 T HN 0.434 nan 8.240 nan 0.000 0.531 590 K N 2.021 122.508 120.400 0.145 0.000 2.402 590 K HA 0.078 4.398 4.320 0.001 0.000 0.285 590 K C 0.977 177.629 176.600 0.087 0.000 1.054 590 K CA -0.475 55.924 56.287 0.187 0.000 1.001 590 K CB -0.096 32.492 32.500 0.147 0.000 0.946 590 K HN 0.869 nan 8.250 nan 0.000 0.473 591 c N 2.450 121.087 118.600 0.061 0.000 2.926 591 c HA 0.647 5.218 4.570 0.001 0.000 0.272 591 c C 0.660 174.732 174.090 -0.031 0.000 1.249 591 c CA -0.152 56.169 56.329 -0.014 0.000 1.691 591 c CB -1.183 41.311 42.510 -0.027 0.000 1.983 591 c HN 0.742 nan 8.230 nan 0.000 0.615 592 A N 0.325 123.156 122.820 0.019 0.000 2.456 592 A HA 0.499 4.820 4.320 0.001 0.000 0.294 592 A C -1.887 175.729 177.584 0.053 0.000 1.057 592 A CA -0.297 51.745 52.037 0.008 0.000 0.623 592 A CB -0.423 18.570 19.000 -0.011 0.000 1.338 592 A HN 0.152 nan 8.150 nan 0.000 0.464 593 D N 0.226 120.643 120.400 0.029 0.000 2.382 593 D HA 0.428 5.069 4.640 0.001 0.000 0.259 593 D C 1.327 177.676 176.300 0.081 0.000 1.224 593 D CA 2.168 56.199 54.000 0.050 0.000 0.894 593 D CB 0.147 40.953 40.800 0.009 0.000 1.127 593 D HN 2.006 nan 8.370 nan 0.000 0.487 594 G N 3.354 112.261 108.800 0.180 0.000 2.162 594 G HA2 -0.281 3.680 3.960 0.001 0.000 0.260 594 G HA3 -0.281 3.680 3.960 0.001 0.000 0.260 594 G C 0.201 175.078 174.900 -0.040 0.000 0.976 594 G CA 0.474 45.621 45.100 0.078 0.000 0.655 594 G HN 0.593 nan 8.290 nan 0.000 0.533 595 K N -0.679 119.743 120.400 0.038 0.000 2.375 595 K HA 0.760 5.080 4.320 0.001 0.000 0.249 595 K C -0.540 176.080 176.600 0.034 0.000 0.942 595 K CA -0.866 55.409 56.287 -0.019 0.000 0.806 595 K CB 3.152 35.649 32.500 -0.006 0.000 1.227 595 K HN 0.053 nan 8.250 nan 0.000 0.430 596 V N 1.059 120.956 119.914 -0.029 0.000 3.074 596 V HA 0.343 4.464 4.120 0.001 0.000 0.314 596 V C -0.742 175.343 176.094 -0.015 0.000 1.117 596 V CA -0.879 61.437 62.300 0.026 0.000 1.014 596 V CB 2.263 34.106 31.823 0.033 0.000 1.057 596 V HN 0.907 nan 8.190 nan 0.000 0.438 597 c N 2.088 120.682 118.600 -0.010 0.000 2.347 597 c HA 0.673 5.243 4.570 0.001 0.000 0.353 597 c C 0.535 174.589 174.090 -0.060 0.000 1.273 597 c CA -0.189 56.122 56.329 -0.029 0.000 1.861 597 c CB 0.233 42.726 42.510 -0.030 0.000 2.420 597 c HN 0.820 nan 8.230 nan 0.000 0.542 598 S N 3.448 119.129 115.700 -0.031 0.000 2.733 598 S HA 0.373 4.843 4.470 0.001 0.000 0.294 598 S C -0.023 174.606 174.600 0.048 0.000 1.149 598 S CA -0.414 57.772 58.200 -0.024 0.000 1.034 598 S CB 0.151 63.303 63.200 -0.081 0.000 1.015 598 S HN 1.008 nan 8.310 nan 0.000 0.486 599 N N 3.485 122.211 118.700 0.044 0.000 2.727 599 N HA -0.214 4.526 4.740 0.001 0.000 0.249 599 N C 0.732 176.243 175.510 0.000 0.000 1.048 599 N CA 0.856 53.945 53.050 0.066 0.000 0.714 599 N CB -1.190 37.369 38.487 0.120 0.000 0.959 599 N HN 1.584 nan 8.380 nan 0.000 0.544 600 G N -0.308 108.459 108.800 -0.055 0.000 2.153 600 G HA2 -0.282 3.678 3.960 0.001 0.000 0.252 600 G HA3 -0.282 3.678 3.960 0.001 0.000 0.252 600 G C -0.374 174.302 174.900 -0.373 0.000 0.994 600 G CA 0.772 45.766 45.100 -0.176 0.000 0.698 600 G HN 0.759 nan 8.290 nan 0.000 0.521 601 H N -1.262 117.811 119.070 0.006 0.000 2.637 601 H HA 0.486 5.042 4.556 0.001 0.000 0.363 601 H C -0.185 175.128 175.328 -0.025 0.000 1.131 601 H CA -0.315 55.730 56.048 -0.006 0.000 1.183 601 H CB 1.720 31.473 29.762 -0.015 0.000 1.637 601 H HN 0.242 nan 8.280 nan 0.000 0.531 602 c N 5.327 123.983 118.600 0.093 0.000 2.227 602 c HA 0.470 5.041 4.570 0.001 0.000 0.333 602 c C 0.453 174.553 174.090 0.017 0.000 1.145 602 c CA -0.362 55.986 56.329 0.031 0.000 1.643 602 c CB -2.007 40.510 42.510 0.011 0.000 2.185 602 c HN 0.539 nan 8.230 nan 0.000 0.497 603 V N 3.877 123.780 119.914 -0.019 0.000 3.046 603 V HA 0.645 4.765 4.120 0.001 0.000 0.316 603 V C -0.360 175.678 176.094 -0.093 0.000 1.104 603 V CA -0.683 61.583 62.300 -0.057 0.000 1.006 603 V CB 1.435 33.210 31.823 -0.079 0.000 1.058 603 V HN 0.614 nan 8.190 nan 0.000 0.440 604 D N 1.299 121.640 120.400 -0.098 0.000 2.488 604 D HA 0.152 4.792 4.640 0.001 0.000 0.238 604 D C 1.341 177.535 176.300 -0.176 0.000 1.138 604 D CA 0.302 54.233 54.000 -0.115 0.000 0.873 604 D CB 1.662 42.407 40.800 -0.091 0.000 1.183 604 D HN 0.470 nan 8.370 nan 0.000 0.458 605 V N 2.647 122.420 119.914 -0.236 0.000 2.343 605 V HA -0.268 3.853 4.120 0.001 0.000 0.247 605 V C 2.385 178.373 176.094 -0.176 0.000 1.051 605 V CA 2.093 64.207 62.300 -0.310 0.000 1.036 605 V CB -0.819 30.616 31.823 -0.646 0.000 0.654 605 V HN 0.708 nan 8.190 nan 0.000 0.451 606 A N 0.962 123.702 122.820 -0.133 0.000 1.948 606 A HA -0.249 4.072 4.320 0.001 0.000 0.220 606 A C 2.363 179.912 177.584 -0.059 0.000 1.177 606 A CA 2.668 54.665 52.037 -0.066 0.000 0.636 606 A CB -0.805 18.163 19.000 -0.052 0.000 0.815 606 A HN 0.678 nan 8.150 nan 0.000 0.449 607 T N -4.444 110.052 114.554 -0.096 0.000 3.069 607 T HA 0.528 4.879 4.350 0.001 0.000 0.252 607 T C 1.570 176.174 174.700 -0.158 0.000 1.053 607 T CA 0.894 62.938 62.100 -0.094 0.000 0.964 607 T CB 0.196 69.015 68.868 -0.083 0.000 1.005 607 T HN 0.467 nan 8.240 nan 0.000 0.532 608 A N 0.300 122.954 122.820 -0.277 0.000 2.015 608 A HA 0.331 4.652 4.320 0.001 0.000 0.219 608 A C 0.422 177.547 177.584 -0.765 0.000 1.163 608 A CA 0.476 52.173 52.037 -0.566 0.000 0.646 608 A CB -0.378 18.142 19.000 -0.800 0.000 0.806 608 A HN 0.678 nan 8.150 nan 0.000 0.448 609 Y N 0.000 120.307 120.300 0.011 0.000 2.660 609 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 609 Y CA 0.000 58.119 58.100 0.032 0.000 1.940 609 Y CB 0.000 38.490 38.460 0.050 0.000 1.050 609 Y HN 0.000 nan 8.280 nan 0.000 0.758