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 2erp_1_A DATA FIRST_RESID 185 DATA SEQUENCE SNLTPEQQRY LNAKKYVKLF LVADYIMYLK YGRNLTAVRT RMYDIVNVIT DATA SEQUENCE PIYHRMNIHV ALVGLEIWSN TDKIIVQSSA DVTLDLFAKW RATDLLSRKS DATA SEQUENCE HDNAQLLTGI NFNGPTAGLG YLGGIcNTMY SAGIVQDHSK IHHLVAIAMA DATA SEQUENCE HEMGHNLGMD HDKDTcTcGT RPcVMAGALS CEASFLFSDc SQKDHREFLI DATA SEQUENCE KNMPQcILKK PLKTDVVSPA VcGNYFVEVG EEcDcGSPRT cRDPccDATT DATA SEQUENCE cKLRQGAQcA EGLccDQcRF KGAGTEcRAA KDEcDMADVc TGRSAEcTDR DATA SEQUENCE FQRNGQPcKN NNGYcYNGKc PIMADQcIAL FGPGATVSQD AcFQFNREGN DATA SEQUENCE HYGYcRKEQN TKIAcEPQDV KcGRLYcFPN SPENKNPcNI YYSPNDEDKG DATA SEQUENCE MVLPGTKcAD RKAcSNGQcV DVTTPY 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 185 S HA 0.000 nan 4.470 nan 0.000 0.327 185 S C 0.000 174.601 174.600 0.002 0.000 1.055 185 S CA 0.000 58.201 58.200 0.002 0.000 1.107 185 S CB 0.000 63.202 63.200 0.004 0.000 0.593 186 N N 1.045 119.745 118.700 0.001 0.000 2.408 186 N HA 0.723 5.464 4.740 0.000 0.000 0.260 186 N C -1.273 174.237 175.510 -0.000 0.000 1.242 186 N CA -0.337 52.714 53.050 0.001 0.000 0.959 186 N CB 0.790 39.277 38.487 0.001 0.000 1.201 186 N HN 0.341 nan 8.380 nan 0.000 0.511 187 L N 0.620 121.845 121.223 0.002 0.000 2.356 187 L HA 0.423 4.763 4.340 0.000 0.000 0.277 187 L C -0.071 176.801 176.870 0.003 0.000 0.996 187 L CA -0.489 54.353 54.840 0.003 0.000 0.822 187 L CB 1.034 43.097 42.059 0.007 0.000 1.256 187 L HN 0.734 nan 8.230 nan 0.000 0.413 188 T N 2.038 116.592 114.554 -0.000 0.000 2.860 188 T HA 0.333 4.684 4.350 0.000 0.000 0.299 188 T C -1.903 172.803 174.700 0.009 0.000 1.045 188 T CA -1.249 60.851 62.100 0.001 0.000 1.071 188 T CB 0.849 69.712 68.868 -0.008 0.000 0.985 188 T HN 0.481 nan 8.240 nan 0.000 0.537 189 P HA -0.158 nan 4.420 nan 0.000 0.216 189 P C 1.477 178.794 177.300 0.029 0.000 1.157 189 P CA 1.378 64.489 63.100 0.019 0.000 0.880 189 P CB 0.046 31.756 31.700 0.017 0.000 0.791 190 E N -0.427 119.787 120.200 0.023 0.000 2.153 190 E HA -0.253 4.097 4.350 0.000 0.000 0.194 190 E C 1.971 178.604 176.600 0.055 0.000 0.988 190 E CA 1.117 57.535 56.400 0.031 0.000 0.811 190 E CB -0.229 29.472 29.700 0.001 0.000 0.746 190 E HN 0.302 nan 8.360 nan 0.000 0.466 191 Q N 0.179 120.000 119.800 0.035 0.000 2.020 191 Q HA -0.198 4.142 4.340 0.000 0.000 0.198 191 Q C 2.317 178.374 176.000 0.095 0.000 0.974 191 Q CA 1.604 57.439 55.803 0.055 0.000 0.829 191 Q CB -0.163 28.583 28.738 0.013 0.000 0.894 191 Q HN 0.343 nan 8.270 nan 0.000 0.433 192 Q N 0.962 120.795 119.800 0.055 0.000 2.096 192 Q HA -0.236 4.105 4.340 0.000 0.000 0.204 192 Q C 2.166 178.195 176.000 0.049 0.000 0.982 192 Q CA 1.353 57.181 55.803 0.042 0.000 0.850 192 Q CB -0.037 28.716 28.738 0.026 0.000 0.901 192 Q HN 0.178 nan 8.270 nan 0.000 0.422 193 R N -0.794 119.744 120.500 0.063 0.000 2.091 193 R HA -0.225 4.115 4.340 0.000 0.000 0.238 193 R C 2.215 178.564 176.300 0.082 0.000 1.136 193 R CA 1.773 57.912 56.100 0.064 0.000 0.959 193 R CB -0.427 29.916 30.300 0.071 0.000 0.856 193 R HN 0.417 nan 8.270 nan 0.000 0.437 194 Y N 1.059 121.355 120.300 -0.007 0.000 2.133 194 Y HA -0.159 4.391 4.550 0.000 0.000 0.287 194 Y C 1.955 177.846 175.900 -0.015 0.000 1.134 194 Y CA 1.624 59.718 58.100 -0.010 0.000 1.133 194 Y CB -0.391 38.051 38.460 -0.029 0.000 0.987 194 Y HN 0.007 nan 8.280 nan 0.000 0.502 195 L N 0.383 121.602 121.223 -0.007 0.000 2.013 195 L HA -0.335 4.005 4.340 0.000 0.000 0.212 195 L C 2.086 178.876 176.870 -0.135 0.000 1.073 195 L CA 2.181 56.963 54.840 -0.097 0.000 0.753 195 L CB -0.794 41.259 42.059 -0.009 0.000 0.890 195 L HN 0.381 nan 8.230 nan 0.000 0.432 196 N N -0.135 118.520 118.700 -0.074 0.000 2.166 196 N HA -0.043 4.698 4.740 0.000 0.000 0.186 196 N C 0.865 176.330 175.510 -0.075 0.000 1.019 196 N CA 0.303 53.319 53.050 -0.056 0.000 0.856 196 N CB -0.097 38.380 38.487 -0.018 0.000 0.993 196 N HN 0.283 nan 8.380 nan 0.000 0.426 197 A N 2.023 124.777 122.820 -0.110 0.000 2.584 197 A HA -0.068 4.252 4.320 0.000 0.000 0.239 197 A C 0.380 177.901 177.584 -0.105 0.000 1.043 197 A CA 0.237 52.217 52.037 -0.095 0.000 0.756 197 A CB 0.044 18.963 19.000 -0.134 0.000 0.963 197 A HN 0.230 nan 8.150 nan 0.000 0.511 198 K N 2.043 122.426 120.400 -0.028 0.000 2.416 198 K HA 0.098 4.418 4.320 0.000 0.000 0.283 198 K C -0.316 176.215 176.600 -0.115 0.000 1.037 198 K CA -0.039 56.208 56.287 -0.066 0.000 0.995 198 K CB 0.345 32.817 32.500 -0.047 0.000 0.938 198 K HN 0.545 nan 8.250 nan 0.000 0.475 199 K N 3.685 123.983 120.400 -0.172 0.000 2.172 199 K HA 0.240 4.560 4.320 0.000 0.000 0.276 199 K C -0.937 175.525 176.600 -0.229 0.000 1.013 199 K CA -0.355 55.865 56.287 -0.111 0.000 0.913 199 K CB 0.919 33.383 32.500 -0.061 0.000 1.055 199 K HN 0.431 nan 8.250 nan 0.000 0.461 200 Y N -0.554 119.809 120.300 0.104 0.000 2.499 200 Y HA 0.395 4.945 4.550 0.001 0.000 0.347 200 Y C -0.126 175.809 175.900 0.057 0.000 0.987 200 Y CA -1.078 57.086 58.100 0.108 0.000 1.044 200 Y CB 2.075 40.584 38.460 0.081 0.000 1.245 200 Y HN 0.088 nan 8.280 nan 0.000 0.461 201 V N 3.219 123.235 119.914 0.171 0.000 2.340 201 V HA 0.266 4.387 4.120 0.000 0.000 0.277 201 V C -0.698 175.447 176.094 0.084 0.000 1.017 201 V CA -1.400 60.950 62.300 0.084 0.000 0.820 201 V CB 0.936 32.740 31.823 -0.031 0.000 1.028 201 V HN 0.638 nan 8.190 nan 0.000 0.436 202 K N 4.327 124.791 120.400 0.107 0.000 2.228 202 K HA 0.301 4.622 4.320 0.000 0.000 0.284 202 K C -0.427 176.270 176.600 0.161 0.000 1.088 202 K CA -0.343 56.007 56.287 0.105 0.000 0.941 202 K CB 0.665 33.233 32.500 0.113 0.000 1.158 202 K HN 0.398 nan 8.250 nan 0.000 0.438 203 L N 3.636 124.933 121.223 0.124 0.000 2.350 203 L HA 0.421 4.761 4.340 0.000 0.000 0.275 203 L C -1.039 175.936 176.870 0.175 0.000 1.099 203 L CA -0.231 54.704 54.840 0.158 0.000 0.808 203 L CB 0.486 42.599 42.059 0.090 0.000 1.149 203 L HN 0.421 nan 8.230 nan 0.000 0.442 204 F N 5.423 125.402 119.950 0.049 0.000 2.477 204 F HA 0.583 5.110 4.527 0.000 0.000 0.335 204 F C -1.208 174.603 175.800 0.017 0.000 1.130 204 F CA -0.662 57.306 58.000 -0.053 0.000 0.948 204 F CB 1.087 39.851 39.000 -0.394 0.000 1.154 204 F HN 0.305 nan 8.300 nan 0.000 0.439 205 L N 6.469 127.491 121.223 -0.335 0.000 2.334 205 L HA 0.764 5.104 4.340 0.000 0.000 0.275 205 L C -1.018 175.715 176.870 -0.228 0.000 1.036 205 L CA -1.232 53.507 54.840 -0.168 0.000 0.807 205 L CB 1.852 43.803 42.059 -0.180 0.000 1.231 205 L HN 0.302 nan 8.230 nan 0.000 0.438 206 V N 1.378 121.216 119.914 -0.128 0.000 2.577 206 V HA 0.674 4.795 4.120 0.000 0.000 0.303 206 V C -0.185 175.618 176.094 -0.486 0.000 1.042 206 V CA -0.602 61.530 62.300 -0.280 0.000 0.872 206 V CB 1.736 33.461 31.823 -0.165 0.000 0.998 206 V HN 0.859 nan 8.190 nan 0.000 0.423 207 A N 3.516 126.018 122.820 -0.530 0.000 2.330 207 A HA 0.785 5.106 4.320 0.000 0.000 0.327 207 A C -0.256 177.040 177.584 -0.480 0.000 1.155 207 A CA -0.622 51.165 52.037 -0.418 0.000 0.803 207 A CB 0.778 19.614 19.000 -0.272 0.000 1.208 207 A HN 0.900 nan 8.150 nan 0.000 0.477 208 D N 0.951 121.176 120.400 -0.291 0.000 2.423 208 D HA 0.023 4.664 4.640 0.000 0.000 0.255 208 D C 0.713 177.121 176.300 0.180 0.000 1.174 208 D CA -0.395 53.597 54.000 -0.014 0.000 1.008 208 D CB 0.306 41.134 40.800 0.048 0.000 1.101 208 D HN 0.459 nan 8.370 nan 0.000 0.516 209 Y N 0.122 120.541 120.300 0.198 0.000 2.207 209 Y HA -0.146 4.404 4.550 0.000 0.000 0.287 209 Y C 2.159 178.167 175.900 0.180 0.000 1.156 209 Y CA 1.387 59.602 58.100 0.191 0.000 1.182 209 Y CB -0.304 38.249 38.460 0.156 0.000 0.979 209 Y HN 0.357 nan 8.280 nan 0.000 0.521 210 I N -0.989 119.651 120.570 0.117 0.000 2.286 210 I HA -0.364 3.807 4.170 0.000 0.000 0.248 210 I C 2.251 178.355 176.117 -0.022 0.000 1.115 210 I CA 1.062 62.365 61.300 0.004 0.000 1.392 210 I CB -0.393 37.617 38.000 0.017 0.000 1.065 210 I HN 0.259 nan 8.210 nan 0.000 0.418 211 M N -0.339 119.277 119.600 0.028 0.000 2.108 211 M HA -0.257 4.224 4.480 0.000 0.000 0.261 211 M C 2.451 178.838 176.300 0.145 0.000 1.066 211 M CA 1.915 57.275 55.300 0.099 0.000 1.107 211 M CB -1.275 31.332 32.600 0.012 0.000 1.356 211 M HN 0.246 nan 8.290 nan 0.000 0.406 212 Y N 1.202 121.441 120.300 -0.101 0.000 2.128 212 Y HA -0.209 4.341 4.550 0.000 0.000 0.284 212 Y C 2.144 177.938 175.900 -0.176 0.000 1.154 212 Y CA 1.759 59.767 58.100 -0.152 0.000 1.149 212 Y CB -0.524 37.784 38.460 -0.254 0.000 0.976 212 Y HN 0.130 nan 8.280 nan 0.000 0.505 213 L N -0.018 121.008 121.223 -0.328 0.000 2.109 213 L HA -0.159 4.182 4.340 0.000 0.000 0.207 213 L C 2.504 179.230 176.870 -0.240 0.000 1.086 213 L CA 1.500 56.130 54.840 -0.350 0.000 0.760 213 L CB -0.597 41.288 42.059 -0.290 0.000 0.910 213 L HN 0.095 nan 8.230 nan 0.000 0.437 214 K N 0.253 120.549 120.400 -0.173 0.000 2.211 214 K HA -0.193 4.128 4.320 0.000 0.000 0.204 214 K C 0.602 176.930 176.600 -0.454 0.000 1.047 214 K CA 1.454 57.580 56.287 -0.268 0.000 0.935 214 K CB 0.048 32.407 32.500 -0.235 0.000 0.728 214 K HN 0.256 nan 8.250 nan 0.000 0.452 215 Y N 0.020 120.201 120.300 -0.198 0.000 2.774 215 Y HA 0.278 4.828 4.550 0.001 0.000 0.305 215 Y C 0.623 176.385 175.900 -0.229 0.000 1.067 215 Y CA -0.149 57.841 58.100 -0.184 0.000 1.304 215 Y CB 0.920 39.283 38.460 -0.161 0.000 1.209 215 Y HN 0.196 nan 8.280 nan 0.000 0.543 216 G N 1.586 110.275 108.800 -0.186 0.000 2.338 216 G HA2 -0.386 3.575 3.960 0.000 0.000 0.296 216 G HA3 -0.386 3.575 3.960 0.000 0.000 0.296 216 G C 0.576 175.285 174.900 -0.318 0.000 1.040 216 G CA 0.413 45.385 45.100 -0.213 0.000 1.004 216 G HN 0.634 nan 8.290 nan 0.000 0.509 217 R N -1.731 118.388 120.500 -0.635 0.000 3.484 217 R HA -0.234 4.106 4.340 0.000 0.000 0.260 217 R C 0.282 176.296 176.300 -0.476 0.000 1.053 217 R CA 1.026 56.440 56.100 -1.143 0.000 0.703 217 R CB -1.384 28.504 30.300 -0.687 0.000 1.089 217 R HN 0.484 nan 8.270 nan 0.000 0.459 218 N N 1.008 119.547 118.700 -0.269 0.000 2.707 218 N HA 0.163 4.903 4.740 0.000 0.000 0.235 218 N C 1.009 176.511 175.510 -0.013 0.000 1.028 218 N CA -0.266 52.739 53.050 -0.075 0.000 0.906 218 N CB 0.674 39.129 38.487 -0.053 0.000 1.131 218 N HN 0.190 nan 8.380 nan 0.000 0.509 219 L N 1.202 122.474 121.223 0.082 0.000 2.081 219 L HA -0.221 4.120 4.340 0.000 0.000 0.212 219 L C 1.870 178.707 176.870 -0.055 0.000 1.080 219 L CA 1.330 56.206 54.840 0.060 0.000 0.754 219 L CB -0.512 41.598 42.059 0.085 0.000 0.893 219 L HN 0.437 nan 8.230 nan 0.000 0.433 220 T N -0.204 114.325 114.554 -0.042 0.000 2.720 220 T HA -0.198 4.153 4.350 0.000 0.000 0.268 220 T C 1.998 176.621 174.700 -0.129 0.000 1.037 220 T CA 1.378 63.437 62.100 -0.069 0.000 1.144 220 T CB -0.233 68.620 68.868 -0.025 0.000 0.864 220 T HN 0.489 nan 8.240 nan 0.000 0.444 221 A N 0.982 123.736 122.820 -0.110 0.000 1.877 221 A HA -0.039 4.281 4.320 0.000 0.000 0.216 221 A C 2.597 179.973 177.584 -0.347 0.000 1.186 221 A CA 1.404 53.356 52.037 -0.142 0.000 0.620 221 A CB -1.005 17.984 19.000 -0.018 0.000 0.822 221 A HN 0.354 nan 8.150 nan 0.000 0.443 222 V N 0.190 119.885 119.914 -0.366 0.000 2.343 222 V HA -0.283 3.838 4.120 0.000 0.000 0.247 222 V C 2.644 178.429 176.094 -0.515 0.000 1.051 222 V CA 2.254 64.243 62.300 -0.517 0.000 1.036 222 V CB -0.895 30.759 31.823 -0.282 0.000 0.654 222 V HN 0.508 nan 8.190 nan 0.000 0.451 223 R N -0.158 120.050 120.500 -0.487 0.000 2.073 223 R HA -0.133 4.207 4.340 0.000 0.000 0.234 223 R C 2.444 178.095 176.300 -1.082 0.000 1.134 223 R CA 1.930 57.540 56.100 -0.817 0.000 0.952 223 R CB -0.861 29.016 30.300 -0.706 0.000 0.850 223 R HN 0.504 nan 8.270 nan 0.000 0.433 224 T N 0.848 115.046 114.554 -0.593 0.000 2.720 224 T HA -0.196 4.154 4.350 0.000 0.000 0.268 224 T C 1.742 176.257 174.700 -0.308 0.000 1.037 224 T CA 1.664 63.579 62.100 -0.308 0.000 1.144 224 T CB -0.220 68.558 68.868 -0.150 0.000 0.864 224 T HN 0.158 nan 8.240 nan 0.000 0.444 225 R N 1.346 121.605 120.500 -0.402 0.000 2.082 225 R HA 0.037 4.377 4.340 0.000 0.000 0.234 225 R C 2.340 178.445 176.300 -0.325 0.000 1.136 225 R CA 1.789 57.660 56.100 -0.380 0.000 0.935 225 R CB -0.736 29.207 30.300 -0.595 0.000 0.842 225 R HN 0.406 nan 8.270 nan 0.000 0.430 226 M N -0.893 118.482 119.600 -0.376 0.000 2.149 226 M HA -0.198 4.283 4.480 0.000 0.000 0.261 226 M C 1.995 178.241 176.300 -0.091 0.000 1.064 226 M CA 1.794 56.938 55.300 -0.260 0.000 1.102 226 M CB -0.441 31.970 32.600 -0.316 0.000 1.369 226 M HN 0.246 nan 8.290 nan 0.000 0.408 227 Y N 0.376 120.565 120.300 -0.185 0.000 2.163 227 Y HA -0.248 4.302 4.550 0.000 0.000 0.288 227 Y C 2.376 178.162 175.900 -0.190 0.000 1.136 227 Y CA 0.179 58.186 58.100 -0.156 0.000 1.147 227 Y CB -0.345 38.035 38.460 -0.133 0.000 0.987 227 Y HN 0.274 nan 8.280 nan 0.000 0.509 228 D N 0.653 120.983 120.400 -0.117 0.000 2.123 228 D HA -0.188 4.452 4.640 0.000 0.000 0.196 228 D C 2.050 178.140 176.300 -0.350 0.000 0.992 228 D CA 1.401 55.182 54.000 -0.366 0.000 0.833 228 D CB -0.277 40.069 40.800 -0.757 0.000 0.954 228 D HN 0.395 nan 8.370 nan 0.000 0.455 229 I N 0.846 121.268 120.570 -0.247 0.000 2.179 229 I HA -0.228 3.942 4.170 0.000 0.000 0.242 229 I C 2.467 178.543 176.117 -0.069 0.000 1.088 229 I CA 0.702 61.921 61.300 -0.135 0.000 1.357 229 I CB -0.210 37.728 38.000 -0.103 0.000 1.051 229 I HN -0.121 nan 8.210 nan 0.000 0.409 230 V N 0.912 120.805 119.914 -0.036 0.000 2.594 230 V HA -0.259 3.862 4.120 0.000 0.000 0.253 230 V C 1.865 177.965 176.094 0.011 0.000 1.069 230 V CA 1.910 64.214 62.300 0.006 0.000 1.082 230 V CB -1.055 30.782 31.823 0.024 0.000 0.680 230 V HN 0.483 nan 8.190 nan 0.000 0.469 231 N N -0.281 118.409 118.700 -0.016 0.000 2.381 231 N HA -0.101 4.640 4.740 0.000 0.000 0.182 231 N C 1.577 177.106 175.510 0.031 0.000 1.025 231 N CA 0.949 54.004 53.050 0.008 0.000 0.888 231 N CB 0.109 38.583 38.487 -0.021 0.000 0.965 231 N HN 0.356 nan 8.380 nan 0.000 0.438 232 V N 0.723 120.630 119.914 -0.013 0.000 2.825 232 V HA -0.013 4.107 4.120 0.000 0.000 0.246 232 V C 1.941 177.973 176.094 -0.103 0.000 1.068 232 V CA 0.669 62.935 62.300 -0.057 0.000 1.088 232 V CB -0.086 31.661 31.823 -0.126 0.000 0.733 232 V HN 0.219 nan 8.190 nan 0.000 0.468 233 I N 0.308 120.852 120.570 -0.042 0.000 2.113 233 I HA -0.231 3.939 4.170 0.000 0.000 0.238 233 I C 2.617 178.801 176.117 0.112 0.000 1.070 233 I CA 1.888 63.204 61.300 0.028 0.000 1.332 233 I CB -0.910 37.159 38.000 0.114 0.000 1.044 233 I HN 0.263 nan 8.210 nan 0.000 0.402 234 T N 2.042 116.676 114.554 0.132 0.000 2.564 234 T HA -0.178 4.173 4.350 0.000 0.000 0.264 234 T C -0.378 174.408 174.700 0.143 0.000 1.100 234 T CA 2.460 64.660 62.100 0.167 0.000 1.171 234 T CB -1.700 67.272 68.868 0.173 0.000 0.863 234 T HN 0.348 nan 8.240 nan 0.000 0.430 235 P HA -0.023 nan 4.420 nan 0.000 0.218 235 P C 1.596 178.919 177.300 0.038 0.000 1.148 235 P CA 1.153 64.313 63.100 0.100 0.000 0.822 235 P CB -0.291 31.529 31.700 0.201 0.000 0.784 236 I N -1.617 118.960 120.570 0.012 0.000 2.142 236 I HA -0.253 3.918 4.170 0.000 0.000 0.240 236 I C 2.530 178.617 176.117 -0.051 0.000 1.078 236 I CA 1.662 62.913 61.300 -0.082 0.000 1.343 236 I CB -0.900 36.932 38.000 -0.280 0.000 1.046 236 I HN -0.134 nan 8.210 nan 0.000 0.405 237 Y N -0.240 120.115 120.300 0.091 0.000 2.509 237 Y HA -0.161 4.389 4.550 0.001 0.000 0.293 237 Y C 2.579 178.441 175.900 -0.063 0.000 1.133 237 Y CA 0.936 59.084 58.100 0.081 0.000 1.283 237 Y CB -0.701 37.789 38.460 0.050 0.000 1.001 237 Y HN 0.259 nan 8.280 nan 0.000 0.555 238 H N 0.824 119.830 119.070 -0.106 0.000 2.389 238 H HA -0.079 4.477 4.556 0.000 0.000 0.299 238 H C 1.650 176.824 175.328 -0.258 0.000 1.081 238 H CA 1.243 57.068 56.048 -0.372 0.000 1.345 238 H CB 0.285 29.569 29.762 -0.796 0.000 1.393 238 H HN 0.280 nan 8.280 nan 0.000 0.520 239 R N -0.390 120.064 120.500 -0.075 0.000 2.303 239 R HA -0.066 4.275 4.340 0.000 0.000 0.225 239 R C 1.145 177.425 176.300 -0.033 0.000 1.114 239 R CA 0.606 56.687 56.100 -0.031 0.000 1.007 239 R CB 0.142 30.470 30.300 0.046 0.000 0.861 239 R HN 0.297 nan 8.270 nan 0.000 0.471 240 M N 0.239 119.821 119.600 -0.029 0.000 2.475 240 M HA 0.072 4.552 4.480 0.000 0.000 0.283 240 M C 0.132 176.395 176.300 -0.062 0.000 1.165 240 M CA -0.036 55.278 55.300 0.022 0.000 0.976 240 M CB -0.298 32.373 32.600 0.118 0.000 1.428 240 M HN 0.066 nan 8.290 nan 0.000 0.495 241 N N 1.511 120.057 118.700 -0.258 0.000 2.741 241 N HA -0.191 4.549 4.740 0.000 0.000 0.251 241 N C -0.999 174.338 175.510 -0.289 0.000 1.112 241 N CA 0.614 53.468 53.050 -0.325 0.000 0.750 241 N CB -1.093 37.300 38.487 -0.156 0.000 1.119 241 N HN 0.529 nan 8.380 nan 0.000 0.561 242 I N 1.082 121.482 120.570 -0.283 0.000 2.355 242 I HA 0.185 4.356 4.170 0.000 0.000 0.288 242 I C -0.331 175.647 176.117 -0.231 0.000 0.999 242 I CA -0.811 60.393 61.300 -0.161 0.000 1.163 242 I CB 0.941 38.912 38.000 -0.048 0.000 1.316 242 I HN 0.146 nan 8.210 nan 0.000 0.454 243 H N 5.139 124.139 119.070 -0.116 0.000 2.690 243 H HA 0.309 4.866 4.556 0.001 0.000 0.289 243 H C -0.392 174.957 175.328 0.035 0.000 1.089 243 H CA -0.467 55.594 56.048 0.022 0.000 1.299 243 H CB 0.826 30.602 29.762 0.023 0.000 1.405 243 H HN 0.202 nan 8.280 nan 0.000 0.463 244 V N 2.565 122.551 119.914 0.120 0.000 2.530 244 V HA 0.503 4.623 4.120 0.000 0.000 0.282 244 V C 0.476 176.574 176.094 0.006 0.000 1.048 244 V CA -0.341 61.992 62.300 0.056 0.000 0.997 244 V CB 0.684 32.551 31.823 0.074 0.000 0.987 244 V HN 0.924 nan 8.190 nan 0.000 0.477 245 A N 5.395 128.181 122.820 -0.056 0.000 2.375 245 A HA 0.689 5.010 4.320 0.000 0.000 0.295 245 A C -0.972 176.557 177.584 -0.092 0.000 1.066 245 A CA -0.635 51.289 52.037 -0.189 0.000 0.722 245 A CB 1.169 19.897 19.000 -0.452 0.000 1.206 245 A HN 0.775 nan 8.150 nan 0.000 0.435 246 L N 4.330 125.505 121.223 -0.079 0.000 2.433 246 L HA 0.330 4.670 4.340 0.000 0.000 0.284 246 L C 0.916 177.764 176.870 -0.035 0.000 1.120 246 L CA 0.459 55.273 54.840 -0.042 0.000 0.879 246 L CB 0.850 42.887 42.059 -0.038 0.000 1.232 246 L HN 0.796 nan 8.230 nan 0.000 0.454 247 V N 2.089 122.014 119.914 0.018 0.000 3.444 247 V HA 0.747 4.867 4.120 0.000 0.000 0.308 247 V C 0.597 176.759 176.094 0.114 0.000 1.371 247 V CA 0.369 62.708 62.300 0.065 0.000 1.141 247 V CB -0.550 31.339 31.823 0.110 0.000 1.037 247 V HN 0.810 nan 8.190 nan 0.000 0.433 248 G N 0.172 108.954 108.800 -0.030 0.000 2.498 248 G HA2 0.539 4.499 3.960 0.000 0.000 0.301 248 G HA3 0.539 4.499 3.960 0.000 0.000 0.301 248 G C -2.024 172.335 174.900 -0.901 0.000 1.577 248 G CA -0.468 44.486 45.100 -0.245 0.000 0.868 248 G HN 0.518 nan 8.290 nan 0.000 0.599 249 L N 0.941 121.740 121.223 -0.707 0.000 2.516 249 L HA 0.806 5.147 4.340 0.000 0.000 0.267 249 L C -1.082 175.596 176.870 -0.319 0.000 0.957 249 L CA -0.611 53.885 54.840 -0.575 0.000 0.860 249 L CB 2.056 43.971 42.059 -0.239 0.000 1.265 249 L HN 0.666 nan 8.230 nan 0.000 0.403 250 E N 5.777 125.827 120.200 -0.250 0.000 2.216 250 E HA 0.468 4.818 4.350 0.000 0.000 0.260 250 E C -1.492 175.066 176.600 -0.070 0.000 0.880 250 E CA -0.609 55.830 56.400 0.064 0.000 0.765 250 E CB 1.652 31.632 29.700 0.467 0.000 1.174 250 E HN 0.623 nan 8.360 nan 0.000 0.417 251 I N 4.231 124.790 120.570 -0.018 0.000 2.330 251 I HA 0.200 4.370 4.170 0.000 0.000 0.289 251 I C -0.264 175.924 176.117 0.119 0.000 1.001 251 I CA -0.857 60.405 61.300 -0.065 0.000 1.193 251 I CB 0.746 38.707 38.000 -0.064 0.000 1.345 251 I HN 0.552 nan 8.210 nan 0.000 0.461 252 W N 5.647 126.931 121.300 -0.027 0.000 1.435 252 W HA 0.076 4.736 4.660 0.000 0.000 0.471 252 W C 1.741 178.245 176.519 -0.026 0.000 0.590 252 W CA -0.663 56.669 57.345 -0.022 0.000 2.419 252 W CB -1.132 28.320 29.460 -0.014 0.000 1.251 252 W HN 0.630 nan 8.180 nan 0.000 0.338 253 S N -1.282 114.391 115.700 -0.046 0.000 2.474 253 S HA -0.217 4.253 4.470 0.000 0.000 0.235 253 S C 1.558 176.040 174.600 -0.197 0.000 0.997 253 S CA 1.435 59.264 58.200 -0.619 0.000 0.949 253 S CB 0.021 62.596 63.200 -1.042 0.000 0.766 253 S HN 0.381 nan 8.310 nan 0.000 0.517 254 N N 0.624 119.313 118.700 -0.018 0.000 2.511 254 N HA 0.172 4.912 4.740 0.000 0.000 0.190 254 N C -0.357 175.040 175.510 -0.189 0.000 1.037 254 N CA 1.091 54.116 53.050 -0.041 0.000 0.895 254 N CB 0.806 39.261 38.487 -0.053 0.000 1.149 254 N HN 0.343 nan 8.380 nan 0.000 0.437 255 T N -0.219 114.241 114.554 -0.158 0.000 2.886 255 T HA 0.223 4.573 4.350 0.000 0.000 0.330 255 T C -1.973 172.590 174.700 -0.230 0.000 1.488 255 T CA -0.768 61.169 62.100 -0.272 0.000 1.054 255 T CB 1.531 70.241 68.868 -0.263 0.000 1.348 255 T HN -0.037 nan 8.240 nan 0.000 0.489 256 D N 1.634 121.910 120.400 -0.207 0.000 2.382 256 D HA 0.259 4.899 4.640 0.000 0.000 0.245 256 D C 1.057 176.855 176.300 -0.836 0.000 1.120 256 D CA -0.488 53.300 54.000 -0.353 0.000 0.890 256 D CB 0.791 41.589 40.800 -0.003 0.000 1.201 256 D HN 0.163 nan 8.370 nan 0.000 0.433 257 K N 1.238 120.551 120.400 -1.812 0.000 2.365 257 K HA 0.144 4.464 4.320 0.000 0.000 0.197 257 K C 0.728 176.884 176.600 -0.741 0.000 1.042 257 K CA 0.441 55.966 56.287 -1.271 0.000 0.987 257 K CB -0.285 31.213 32.500 -1.670 0.000 0.779 257 K HN 0.600 nan 8.250 nan 0.000 0.484 258 I N -3.242 116.958 120.570 -0.617 0.000 3.145 258 I HA 0.410 4.581 4.170 0.000 0.000 0.313 258 I C -0.546 175.538 176.117 -0.055 0.000 1.122 258 I CA -1.276 59.918 61.300 -0.176 0.000 0.987 258 I CB 1.831 39.845 38.000 0.023 0.000 1.236 258 I HN -0.308 nan 8.210 nan 0.000 0.453 259 I N 3.815 124.395 120.570 0.018 0.000 2.278 259 I HA 0.152 4.322 4.170 0.000 0.000 0.296 259 I C -0.294 175.882 176.117 0.098 0.000 1.121 259 I CA -0.564 60.762 61.300 0.043 0.000 1.267 259 I CB 0.945 38.968 38.000 0.037 0.000 1.447 259 I HN 0.298 nan 8.210 nan 0.000 0.509 260 V N 7.273 127.262 119.914 0.125 0.000 2.403 260 V HA 0.016 4.137 4.120 0.000 0.000 0.265 260 V C 0.350 176.525 176.094 0.135 0.000 1.034 260 V CA -0.038 62.357 62.300 0.158 0.000 1.036 260 V CB 0.073 31.997 31.823 0.168 0.000 1.032 260 V HN 0.706 nan 8.190 nan 0.000 0.478 261 Q N 2.547 122.439 119.800 0.154 0.000 2.240 261 Q HA 0.379 4.719 4.340 0.000 0.000 0.260 261 Q C 1.234 177.351 176.000 0.196 0.000 1.018 261 Q CA -0.189 55.697 55.803 0.137 0.000 0.898 261 Q CB 1.160 29.965 28.738 0.112 0.000 1.301 261 Q HN 0.725 nan 8.270 nan 0.000 0.469 262 S N -1.080 114.716 115.700 0.160 0.000 2.547 262 S HA -0.049 4.421 4.470 0.000 0.000 0.235 262 S C 0.916 175.678 174.600 0.271 0.000 0.980 262 S CA 0.229 58.553 58.200 0.206 0.000 0.941 262 S CB 0.038 63.309 63.200 0.118 0.000 0.763 262 S HN 0.392 nan 8.310 nan 0.000 0.532 263 S N 1.136 116.947 115.700 0.185 0.000 2.485 263 S HA 0.636 5.106 4.470 0.000 0.000 0.312 263 S C 1.269 175.888 174.600 0.031 0.000 1.102 263 S CA -0.181 58.082 58.200 0.104 0.000 1.066 263 S CB 0.290 63.533 63.200 0.071 0.000 1.102 263 S HN 0.513 nan 8.310 nan 0.000 0.519 264 A N 4.673 127.404 122.820 -0.148 0.000 1.892 264 A HA -0.157 4.163 4.320 0.000 0.000 0.218 264 A C 1.921 179.346 177.584 -0.265 0.000 1.188 264 A CA 2.056 53.753 52.037 -0.566 0.000 0.631 264 A CB -0.719 17.777 19.000 -0.841 0.000 0.822 264 A HN 0.838 nan 8.150 nan 0.000 0.447 265 D N -0.345 119.969 120.400 -0.143 0.000 2.133 265 D HA -0.131 4.509 4.640 0.000 0.000 0.195 265 D C 2.000 178.303 176.300 0.005 0.000 0.997 265 D CA 1.815 55.778 54.000 -0.062 0.000 0.840 265 D CB -0.323 40.464 40.800 -0.022 0.000 0.947 265 D HN 0.298 nan 8.370 nan 0.000 0.452 266 V N 0.991 120.921 119.914 0.026 0.000 2.591 266 V HA -0.131 3.990 4.120 0.000 0.000 0.249 266 V C 2.474 178.628 176.094 0.101 0.000 1.053 266 V CA 1.433 63.776 62.300 0.071 0.000 1.068 266 V CB -0.476 31.391 31.823 0.073 0.000 0.689 266 V HN 0.172 nan 8.190 nan 0.000 0.462 267 T N 0.680 115.285 114.554 0.085 0.000 2.857 267 T HA -0.101 4.249 4.350 0.000 0.000 0.266 267 T C 1.901 176.703 174.700 0.170 0.000 1.048 267 T CA 1.373 63.556 62.100 0.139 0.000 1.139 267 T CB -0.246 68.717 68.868 0.158 0.000 0.874 267 T HN 0.294 nan 8.240 nan 0.000 0.455 268 L N 1.915 123.183 121.223 0.074 0.000 2.046 268 L HA -0.070 4.270 4.340 0.000 0.000 0.208 268 L C 2.096 179.120 176.870 0.257 0.000 1.077 268 L CA 1.831 56.727 54.840 0.094 0.000 0.747 268 L CB -0.702 41.273 42.059 -0.140 0.000 0.896 268 L HN 0.198 nan 8.230 nan 0.000 0.432 269 D N -0.775 119.768 120.400 0.239 0.000 2.097 269 D HA -0.182 4.459 4.640 0.000 0.000 0.197 269 D C 2.178 178.629 176.300 0.253 0.000 0.984 269 D CA 1.431 55.603 54.000 0.286 0.000 0.826 269 D CB 0.085 41.012 40.800 0.211 0.000 0.973 269 D HN 0.453 nan 8.370 nan 0.000 0.460 270 L N -0.171 121.196 121.223 0.240 0.000 2.046 270 L HA -0.151 4.189 4.340 0.000 0.000 0.208 270 L C 2.610 179.695 176.870 0.357 0.000 1.077 270 L CA 0.919 55.907 54.840 0.247 0.000 0.747 270 L CB -0.544 41.644 42.059 0.214 0.000 0.896 270 L HN 0.060 nan 8.230 nan 0.000 0.432 271 F N 0.795 120.901 119.950 0.260 0.000 2.163 271 F HA -0.107 4.420 4.527 0.000 0.000 0.297 271 F C 2.447 178.487 175.800 0.400 0.000 1.094 271 F CA 0.997 59.214 58.000 0.361 0.000 1.290 271 F CB -0.352 38.816 39.000 0.281 0.000 1.017 271 F HN -0.028 nan 8.300 nan 0.000 0.483 272 A N 0.320 123.311 122.820 0.285 0.000 1.940 272 A HA -0.210 4.110 4.320 0.000 0.000 0.219 272 A C 2.232 179.816 177.584 -0.001 0.000 1.176 272 A CA 1.927 54.056 52.037 0.153 0.000 0.631 272 A CB -0.632 18.613 19.000 0.409 0.000 0.814 272 A HN 0.487 nan 8.150 nan 0.000 0.446 273 K N -2.187 118.254 120.400 0.068 0.000 2.186 273 K HA -0.106 4.214 4.320 0.000 0.000 0.202 273 K C 1.783 178.400 176.600 0.028 0.000 1.052 273 K CA 1.104 57.398 56.287 0.012 0.000 0.965 273 K CB -0.212 32.319 32.500 0.052 0.000 0.746 273 K HN 0.708 nan 8.250 nan 0.000 0.457 274 W N 2.890 124.153 121.300 -0.062 0.000 2.355 274 W HA -0.160 4.500 4.660 0.000 0.000 0.309 274 W C 2.211 178.658 176.519 -0.121 0.000 1.206 274 W CA 1.461 58.774 57.345 -0.052 0.000 1.284 274 W CB -0.111 29.377 29.460 0.047 0.000 1.145 274 W HN -0.093 nan 8.180 nan 0.000 0.502 275 R N 0.644 120.970 120.500 -0.291 0.000 2.080 275 R HA -0.192 4.148 4.340 0.000 0.000 0.236 275 R C 2.256 178.301 176.300 -0.424 0.000 1.137 275 R CA 2.332 58.111 56.100 -0.534 0.000 0.943 275 R CB -1.028 29.046 30.300 -0.377 0.000 0.846 275 R HN 0.173 nan 8.270 nan 0.000 0.431 276 A N -0.472 122.176 122.820 -0.286 0.000 2.076 276 A HA -0.109 4.211 4.320 0.000 0.000 0.220 276 A C 1.855 179.292 177.584 -0.245 0.000 1.160 276 A CA 1.952 53.841 52.037 -0.246 0.000 0.653 276 A CB -0.363 18.505 19.000 -0.219 0.000 0.801 276 A HN 0.549 nan 8.150 nan 0.000 0.455 277 T N -1.734 112.651 114.554 -0.282 0.000 3.082 277 T HA 0.031 4.381 4.350 0.000 0.000 0.235 277 T C 1.609 176.113 174.700 -0.327 0.000 0.991 277 T CA 1.038 62.990 62.100 -0.247 0.000 1.220 277 T CB -0.201 68.569 68.868 -0.163 0.000 0.909 277 T HN 0.523 nan 8.240 nan 0.000 0.424 278 D N 0.293 120.366 120.400 -0.546 0.000 2.197 278 D HA 0.070 4.710 4.640 0.000 0.000 0.212 278 D C 1.966 177.877 176.300 -0.648 0.000 0.963 278 D CA 0.290 53.941 54.000 -0.582 0.000 0.864 278 D CB -0.101 40.295 40.800 -0.673 0.000 1.009 278 D HN 0.027 nan 8.370 nan 0.000 0.479 279 L N 0.545 121.156 121.223 -1.020 0.000 1.973 279 L HA 0.006 4.346 4.340 0.000 0.000 0.208 279 L C 2.144 178.769 176.870 -0.409 0.000 1.073 279 L CA 1.581 55.949 54.840 -0.786 0.000 0.746 279 L CB -0.836 40.637 42.059 -0.975 0.000 0.891 279 L HN 0.161 nan 8.230 nan 0.000 0.433 280 L N -0.770 120.271 121.223 -0.303 0.000 2.189 280 L HA -0.247 4.093 4.340 0.000 0.000 0.214 280 L C 2.288 179.055 176.870 -0.173 0.000 1.097 280 L CA 1.358 56.080 54.840 -0.196 0.000 0.764 280 L CB -0.598 41.322 42.059 -0.232 0.000 0.900 280 L HN 0.298 nan 8.230 nan 0.000 0.436 281 S N -1.135 114.446 115.700 -0.198 0.000 2.481 281 S HA -0.097 4.373 4.470 0.000 0.000 0.231 281 S C 1.959 176.492 174.600 -0.111 0.000 0.996 281 S CA 0.756 58.870 58.200 -0.143 0.000 0.942 281 S CB -0.021 63.091 63.200 -0.146 0.000 0.768 281 S HN 0.391 nan 8.310 nan 0.000 0.520 282 R N 0.942 121.364 120.500 -0.130 0.000 2.191 282 R HA 0.277 4.618 4.340 0.000 0.000 0.196 282 R C 0.299 176.569 176.300 -0.049 0.000 0.991 282 R CA 0.521 56.574 56.100 -0.079 0.000 1.075 282 R CB 0.396 30.651 30.300 -0.075 0.000 1.040 282 R HN 0.112 nan 8.270 nan 0.000 0.526 283 K N -0.057 120.296 120.400 -0.077 0.000 2.543 283 K HA 0.199 4.520 4.320 0.000 0.000 0.255 283 K C -1.695 174.938 176.600 0.054 0.000 0.934 283 K CA -0.543 55.739 56.287 -0.008 0.000 0.810 283 K CB 2.184 34.697 32.500 0.020 0.000 1.315 283 K HN -0.031 nan 8.250 nan 0.000 0.433 284 S N 3.087 118.830 115.700 0.071 0.000 2.545 284 S HA 0.415 4.885 4.470 0.000 0.000 0.275 284 S C -1.043 173.658 174.600 0.169 0.000 1.299 284 S CA -0.308 57.923 58.200 0.052 0.000 1.048 284 S CB 0.189 63.392 63.200 0.006 0.000 0.938 284 S HN 0.744 nan 8.310 nan 0.000 0.496 285 H N 1.923 120.985 119.070 -0.012 0.000 3.037 285 H HA 0.367 4.923 4.556 0.000 0.000 0.336 285 H C -0.857 174.496 175.328 0.042 0.000 1.323 285 H CA -0.763 55.313 56.048 0.048 0.000 1.159 285 H CB 0.205 30.034 29.762 0.111 0.000 1.882 285 H HN 0.477 nan 8.280 nan 0.000 0.535 286 D N 0.121 120.576 120.400 0.091 0.000 2.213 286 D HA -0.043 4.597 4.640 0.000 0.000 0.205 286 D C 0.266 176.613 176.300 0.077 0.000 0.961 286 D CA 1.027 55.052 54.000 0.043 0.000 0.853 286 D CB 0.659 41.512 40.800 0.089 0.000 0.967 286 D HN 0.524 nan 8.370 nan 0.000 0.496 287 N N -0.374 118.467 118.700 0.234 0.000 2.555 287 N HA 0.322 5.063 4.740 0.000 0.000 0.265 287 N C -2.052 173.730 175.510 0.453 0.000 1.135 287 N CA -0.305 52.915 53.050 0.284 0.000 0.925 287 N CB 2.119 40.713 38.487 0.179 0.000 1.662 287 N HN -0.113 nan 8.380 nan 0.000 0.489 288 A N 2.040 125.135 122.820 0.458 0.000 2.374 288 A HA 0.710 5.030 4.320 0.000 0.000 0.317 288 A C -1.092 176.801 177.584 0.514 0.000 1.094 288 A CA -0.494 51.843 52.037 0.500 0.000 0.765 288 A CB 1.478 20.785 19.000 0.511 0.000 1.268 288 A HN 0.547 nan 8.150 nan 0.000 0.438 289 Q N 0.904 120.952 119.800 0.413 0.000 2.321 289 Q HA 0.379 4.719 4.340 0.000 0.000 0.270 289 Q C -1.619 174.375 176.000 -0.010 0.000 1.032 289 Q CA -0.663 55.276 55.803 0.225 0.000 0.784 289 Q CB 2.149 30.963 28.738 0.126 0.000 1.264 289 Q HN 0.659 nan 8.270 nan 0.000 0.448 290 L N 4.148 125.137 121.223 -0.391 0.000 2.261 290 L HA 0.343 4.684 4.340 0.000 0.000 0.289 290 L C -1.169 175.496 176.870 -0.342 0.000 1.059 290 L CA -0.526 53.883 54.840 -0.720 0.000 0.816 290 L CB 0.463 41.653 42.059 -1.450 0.000 1.191 290 L HN 0.491 nan 8.230 nan 0.000 0.431 291 L N 5.494 126.547 121.223 -0.282 0.000 2.259 291 L HA 0.515 4.856 4.340 0.000 0.000 0.288 291 L C -0.050 176.703 176.870 -0.195 0.000 1.051 291 L CA 0.521 55.252 54.840 -0.182 0.000 0.824 291 L CB 0.843 42.800 42.059 -0.170 0.000 1.206 291 L HN 0.772 nan 8.230 nan 0.000 0.429 292 T N 2.321 116.788 114.554 -0.145 0.000 2.885 292 T HA 0.572 4.922 4.350 0.000 0.000 0.285 292 T C 0.986 175.592 174.700 -0.156 0.000 1.019 292 T CA -0.073 61.940 62.100 -0.146 0.000 1.010 292 T CB 1.471 70.262 68.868 -0.129 0.000 1.022 292 T HN 0.690 nan 8.240 nan 0.000 0.466 293 G N 3.417 112.151 108.800 -0.110 0.000 2.985 293 G HA2 0.188 4.148 3.960 0.000 0.000 0.209 293 G HA3 0.188 4.148 3.960 0.000 0.000 0.209 293 G C 0.640 175.448 174.900 -0.154 0.000 1.165 293 G CA -0.236 44.802 45.100 -0.104 0.000 0.776 293 G HN 0.760 nan 8.290 nan 0.000 0.541 294 I N 0.625 121.071 120.570 -0.207 0.000 2.779 294 I HA 0.171 4.342 4.170 0.000 0.000 0.285 294 I C -0.264 175.612 176.117 -0.403 0.000 1.134 294 I CA -0.741 60.421 61.300 -0.231 0.000 1.398 294 I CB 1.003 38.898 38.000 -0.176 0.000 1.404 294 I HN 0.043 nan 8.210 nan 0.000 0.587 295 N N 5.265 123.807 118.700 -0.264 0.000 2.422 295 N HA 0.277 5.017 4.740 0.000 0.000 0.266 295 N C -1.235 174.177 175.510 -0.164 0.000 1.007 295 N CA -0.332 52.576 53.050 -0.237 0.000 0.941 295 N CB 0.482 38.913 38.487 -0.092 0.000 1.115 295 N HN 0.227 nan 8.380 nan 0.000 0.492 296 F N 1.621 121.584 119.950 0.022 0.000 2.429 296 F HA 0.244 4.771 4.527 0.000 0.000 0.348 296 F C 1.308 177.116 175.800 0.014 0.000 1.109 296 F CA -0.601 57.411 58.000 0.020 0.000 1.232 296 F CB 0.180 39.192 39.000 0.021 0.000 1.157 296 F HN 0.427 nan 8.300 nan 0.000 0.564 297 N N 1.312 120.149 118.700 0.228 0.000 2.458 297 N HA 0.356 5.096 4.740 0.000 0.000 0.258 297 N C 0.479 176.049 175.510 0.101 0.000 1.219 297 N CA 0.707 53.831 53.050 0.122 0.000 0.902 297 N CB 0.395 38.937 38.487 0.092 0.000 1.076 297 N HN 0.891 nan 8.380 nan 0.000 0.455 298 G N 2.461 111.300 108.800 0.066 0.000 2.741 298 G HA2 -0.210 3.750 3.960 0.000 0.000 0.222 298 G HA3 -0.210 3.750 3.960 0.000 0.000 0.222 298 G C -1.581 173.346 174.900 0.046 0.000 1.364 298 G CA -0.526 44.602 45.100 0.046 0.000 0.866 298 G HN 0.494 nan 8.290 nan 0.000 0.555 299 P HA 0.038 nan 4.420 nan 0.000 0.229 299 P C 1.256 178.563 177.300 0.012 0.000 1.160 299 P CA 1.576 64.677 63.100 0.002 0.000 0.777 299 P CB -0.564 31.126 31.700 -0.017 0.000 0.814 300 T N -1.378 113.204 114.554 0.046 0.000 2.849 300 T HA 0.206 4.556 4.350 0.000 0.000 0.289 300 T C 0.994 175.792 174.700 0.164 0.000 1.010 300 T CA 0.181 62.322 62.100 0.068 0.000 1.161 300 T CB 0.561 69.452 68.868 0.037 0.000 0.989 300 T HN 0.125 nan 8.240 nan 0.000 0.523 301 A N 2.461 125.364 122.820 0.139 0.000 2.508 301 A HA 0.761 5.081 4.320 0.000 0.000 0.257 301 A C 0.948 178.740 177.584 0.346 0.000 1.226 301 A CA 0.100 52.274 52.037 0.229 0.000 0.947 301 A CB 0.176 19.156 19.000 -0.034 0.000 1.079 301 A HN 1.602 nan 8.150 nan 0.000 0.531 302 G N -1.302 107.638 108.800 0.233 0.000 2.328 302 G HA2 0.520 4.481 3.960 0.000 0.000 0.295 302 G HA3 0.520 4.481 3.960 0.000 0.000 0.295 302 G C -2.265 172.662 174.900 0.045 0.000 1.413 302 G CA -0.392 44.812 45.100 0.173 0.000 0.817 302 G HN 0.743 nan 8.290 nan 0.000 0.546 303 L N -0.646 120.586 121.223 0.015 0.000 2.612 303 L HA 0.879 5.220 4.340 0.000 0.000 0.256 303 L C -0.184 176.671 176.870 -0.024 0.000 0.949 303 L CA 0.565 55.388 54.840 -0.028 0.000 0.867 303 L CB 2.361 44.305 42.059 -0.191 0.000 1.417 303 L HN 1.763 nan 8.230 nan 0.000 0.414 304 G N 1.520 110.297 108.800 -0.038 0.000 2.728 304 G HA2 0.424 4.384 3.960 0.000 0.000 0.294 304 G HA3 0.424 4.384 3.960 0.000 0.000 0.294 304 G C -1.839 173.019 174.900 -0.070 0.000 1.398 304 G CA -0.544 44.532 45.100 -0.040 0.000 1.183 304 G HN 0.327 nan 8.290 nan 0.000 0.578 305 Y N 0.788 121.141 120.300 0.089 0.000 2.811 305 Y HA 0.138 4.689 4.550 0.000 0.000 0.334 305 Y C 1.053 176.938 175.900 -0.025 0.000 1.247 305 Y CA -0.104 58.015 58.100 0.032 0.000 1.526 305 Y CB 0.645 39.187 38.460 0.136 0.000 1.284 305 Y HN 0.493 nan 8.280 nan 0.000 0.586 306 L N 3.350 124.604 121.223 0.052 0.000 2.410 306 L HA 0.387 4.727 4.340 0.000 0.000 0.273 306 L C 1.033 177.858 176.870 -0.074 0.000 1.144 306 L CA 0.322 55.129 54.840 -0.055 0.000 0.863 306 L CB 0.189 42.179 42.059 -0.115 0.000 1.140 306 L HN 0.846 nan 8.230 nan 0.000 0.463 307 G N 3.542 112.204 108.800 -0.231 0.000 2.356 307 G HA2 -0.263 3.698 3.960 0.000 0.000 0.296 307 G HA3 -0.263 3.698 3.960 0.000 0.000 0.296 307 G C 0.690 175.619 174.900 0.049 0.000 1.022 307 G CA 0.483 45.336 45.100 -0.412 0.000 0.961 307 G HN 1.297 nan 8.290 nan 0.000 0.510 308 G N -0.912 107.941 108.800 0.088 0.000 3.337 308 G HA2 0.398 4.359 3.960 0.000 0.000 0.246 308 G HA3 0.398 4.359 3.960 0.000 0.000 0.246 308 G C 0.656 175.681 174.900 0.209 0.000 1.131 308 G CA 0.080 45.297 45.100 0.195 0.000 0.773 308 G HN 0.779 nan 8.290 nan 0.000 0.544 309 I N 0.386 121.076 120.570 0.199 0.000 2.775 309 I HA 0.107 4.278 4.170 0.000 0.000 0.290 309 I C 1.338 177.559 176.117 0.174 0.000 1.203 309 I CA 0.223 61.635 61.300 0.187 0.000 1.433 309 I CB 0.262 38.393 38.000 0.218 0.000 1.354 309 I HN 0.296 nan 8.210 nan 0.000 0.579 310 c N 3.041 121.708 118.600 0.112 0.000 5.688 310 c HA -0.224 4.347 4.570 0.000 0.000 0.291 310 c C 0.986 175.094 174.090 0.030 0.000 2.111 310 c CA 0.518 56.883 56.329 0.060 0.000 1.870 310 c CB -3.014 39.541 42.510 0.075 0.000 2.828 310 c HN 0.970 nan 8.230 nan 0.000 0.449 311 N N 1.478 120.221 118.700 0.071 0.000 2.475 311 N HA 0.129 4.869 4.740 0.000 0.000 0.267 311 N C 1.251 176.747 175.510 -0.024 0.000 1.169 311 N CA 1.132 54.214 53.050 0.053 0.000 0.947 311 N CB 1.378 39.960 38.487 0.157 0.000 1.061 311 N HN 0.728 nan 8.380 nan 0.000 0.466 312 T N 1.442 115.946 114.554 -0.085 0.000 2.897 312 T HA -0.099 4.251 4.350 0.000 0.000 0.271 312 T C 1.575 176.150 174.700 -0.208 0.000 1.084 312 T CA 0.921 62.930 62.100 -0.152 0.000 1.123 312 T CB 0.087 68.863 68.868 -0.152 0.000 0.865 312 T HN 0.449 nan 8.240 nan 0.000 0.496 313 M N -0.688 118.737 119.600 -0.292 0.000 2.367 313 M HA 0.325 4.806 4.480 0.000 0.000 0.256 313 M C 0.282 176.055 176.300 -0.878 0.000 1.091 313 M CA 0.443 55.386 55.300 -0.596 0.000 1.049 313 M CB 0.171 32.283 32.600 -0.814 0.000 1.406 313 M HN 0.349 nan 8.290 nan 0.000 0.498 314 Y N -1.705 118.516 120.300 -0.132 0.000 2.610 314 Y HA 0.282 4.832 4.550 0.001 0.000 0.254 314 Y C 1.296 177.288 175.900 0.154 0.000 1.110 314 Y CA -0.441 57.565 58.100 -0.157 0.000 1.238 314 Y CB 0.293 38.570 38.460 -0.306 0.000 1.322 314 Y HN -0.075 nan 8.280 nan 0.000 0.547 315 S N 1.535 117.361 115.700 0.211 0.000 3.983 315 S HA 0.700 5.170 4.470 0.000 0.000 0.194 315 S C 0.049 174.807 174.600 0.263 0.000 1.464 315 S CA 0.100 58.429 58.200 0.215 0.000 1.021 315 S CB -1.050 62.223 63.200 0.121 0.000 1.424 315 S HN 0.325 nan 8.310 nan 0.000 0.473 316 A N 0.933 123.981 122.820 0.380 0.000 2.569 316 A HA 0.977 5.298 4.320 0.000 0.000 0.290 316 A C -0.052 177.742 177.584 0.350 0.000 1.136 316 A CA -0.461 51.825 52.037 0.416 0.000 0.710 316 A CB 1.453 20.722 19.000 0.448 0.000 1.303 316 A HN 0.799 nan 8.150 nan 0.000 0.413 317 G N -0.694 108.315 108.800 0.349 0.000 2.667 317 G HA2 0.632 4.593 3.960 0.000 0.000 0.294 317 G HA3 0.632 4.593 3.960 0.000 0.000 0.294 317 G C -1.204 173.765 174.900 0.116 0.000 1.467 317 G CA -0.062 45.142 45.100 0.173 0.000 0.852 317 G HN 1.591 nan 8.290 nan 0.000 0.521 318 I N -1.026 119.561 120.570 0.028 0.000 2.465 318 I HA 0.851 5.021 4.170 0.000 0.000 0.291 318 I C -0.994 175.187 176.117 0.106 0.000 1.014 318 I CA -1.282 60.013 61.300 -0.008 0.000 1.093 318 I CB 2.136 40.116 38.000 -0.033 0.000 1.267 318 I HN 0.234 nan 8.210 nan 0.000 0.431 319 V N 5.101 125.093 119.914 0.131 0.000 2.680 319 V HA 0.396 4.516 4.120 0.000 0.000 0.309 319 V C -0.301 175.909 176.094 0.193 0.000 1.052 319 V CA -0.513 61.902 62.300 0.191 0.000 0.908 319 V CB 1.851 33.735 31.823 0.102 0.000 1.001 319 V HN 0.869 nan 8.190 nan 0.000 0.431 320 Q N 1.618 121.567 119.800 0.248 0.000 2.257 320 Q HA 0.272 4.612 4.340 0.000 0.000 0.255 320 Q C -0.383 175.611 176.000 -0.008 0.000 0.920 320 Q CA -0.502 55.322 55.803 0.035 0.000 0.927 320 Q CB 1.213 29.939 28.738 -0.020 0.000 1.229 320 Q HN 0.823 nan 8.270 nan 0.000 0.433 321 D N 1.847 122.191 120.400 -0.093 0.000 2.977 321 D HA -0.030 4.611 4.640 0.000 0.000 0.241 321 D C 1.044 177.250 176.300 -0.157 0.000 1.206 321 D CA 0.235 54.156 54.000 -0.133 0.000 0.902 321 D CB -0.075 40.698 40.800 -0.045 0.000 1.131 321 D HN 0.674 nan 8.370 nan 0.000 0.447 322 H N -1.722 117.325 119.070 -0.039 0.000 2.353 322 H HA -0.068 4.489 4.556 0.001 0.000 0.298 322 H C 0.873 176.183 175.328 -0.029 0.000 1.103 322 H CA 1.241 57.264 56.048 -0.042 0.000 1.293 322 H CB -0.404 29.345 29.762 -0.022 0.000 1.372 322 H HN 0.071 nan 8.280 nan 0.000 0.501 323 S N -0.921 114.616 115.700 -0.272 0.000 2.687 323 S HA 0.237 4.707 4.470 0.000 0.000 0.283 323 S C 1.128 175.678 174.600 -0.084 0.000 1.170 323 S CA -0.707 57.470 58.200 -0.038 0.000 1.008 323 S CB 1.513 64.721 63.200 0.013 0.000 1.026 323 S HN 0.531 nan 8.310 nan 0.000 0.541 324 K N 1.484 121.864 120.400 -0.033 0.000 2.243 324 K HA 0.164 4.484 4.320 0.000 0.000 0.201 324 K C 0.158 176.745 176.600 -0.021 0.000 1.051 324 K CA 0.514 56.782 56.287 -0.030 0.000 0.970 324 K CB 0.009 32.492 32.500 -0.028 0.000 0.755 324 K HN 0.550 nan 8.250 nan 0.000 0.465 325 I N 3.776 124.326 120.570 -0.034 0.000 2.406 325 I HA -0.020 4.150 4.170 0.000 0.000 0.293 325 I C 0.907 176.949 176.117 -0.125 0.000 1.101 325 I CA 0.199 61.455 61.300 -0.072 0.000 1.334 325 I CB 0.018 38.016 38.000 -0.004 0.000 1.421 325 I HN 0.327 nan 8.210 nan 0.000 0.513 326 H N 5.356 124.363 119.070 -0.106 0.000 2.518 326 H HA -0.151 4.405 4.556 0.001 0.000 0.292 326 H C 1.475 176.688 175.328 -0.192 0.000 1.068 326 H CA 1.571 57.514 56.048 -0.175 0.000 1.275 326 H CB -0.390 29.245 29.762 -0.210 0.000 1.375 326 H HN 0.551 nan 8.280 nan 0.000 0.563 327 H N 0.551 119.467 119.070 -0.258 0.000 2.353 327 H HA -0.041 4.515 4.556 0.001 0.000 0.300 327 H C 2.207 177.503 175.328 -0.053 0.000 1.090 327 H CA 1.608 57.595 56.048 -0.102 0.000 1.327 327 H CB 0.047 29.787 29.762 -0.036 0.000 1.383 327 H HN 0.416 nan 8.280 nan 0.000 0.508 328 L N 0.308 121.588 121.223 0.095 0.000 2.217 328 L HA -0.080 4.260 4.340 0.000 0.000 0.211 328 L C 2.464 179.359 176.870 0.042 0.000 1.107 328 L CA 0.298 55.202 54.840 0.106 0.000 0.783 328 L CB -0.073 42.095 42.059 0.182 0.000 0.919 328 L HN 0.051 nan 8.230 nan 0.000 0.442 329 V N -0.159 119.699 119.914 -0.094 0.000 2.667 329 V HA -0.144 3.976 4.120 0.000 0.000 0.252 329 V C 2.665 178.735 176.094 -0.039 0.000 1.065 329 V CA 1.444 63.657 62.300 -0.145 0.000 1.083 329 V CB -0.635 31.078 31.823 -0.182 0.000 0.692 329 V HN 0.423 nan 8.190 nan 0.000 0.468 330 A N 0.435 123.228 122.820 -0.045 0.000 1.872 330 A HA -0.092 4.229 4.320 0.000 0.000 0.214 330 A C 2.160 179.697 177.584 -0.079 0.000 1.187 330 A CA 1.551 53.546 52.037 -0.070 0.000 0.614 330 A CB -0.468 18.454 19.000 -0.130 0.000 0.826 330 A HN 0.469 nan 8.150 nan 0.000 0.442 331 I N -0.054 120.455 120.570 -0.101 0.000 2.361 331 I HA -0.283 3.887 4.170 0.000 0.000 0.251 331 I C 2.916 179.048 176.117 0.024 0.000 1.133 331 I CA 0.950 62.200 61.300 -0.083 0.000 1.413 331 I CB -0.367 37.615 38.000 -0.030 0.000 1.073 331 I HN 0.370 nan 8.210 nan 0.000 0.424 332 A N 0.647 123.513 122.820 0.077 0.000 1.877 332 A HA -0.255 4.065 4.320 0.000 0.000 0.216 332 A C 2.412 180.096 177.584 0.168 0.000 1.186 332 A CA 1.825 53.947 52.037 0.142 0.000 0.620 332 A CB -0.598 18.529 19.000 0.212 0.000 0.822 332 A HN 0.421 nan 8.150 nan 0.000 0.443 333 M N -0.485 119.185 119.600 0.117 0.000 2.132 333 M HA -0.081 4.399 4.480 0.000 0.000 0.263 333 M C 2.252 178.656 176.300 0.174 0.000 1.065 333 M CA 1.540 56.916 55.300 0.127 0.000 1.122 333 M CB -0.209 32.440 32.600 0.081 0.000 1.365 333 M HN 0.418 nan 8.290 nan 0.000 0.411 334 A N -0.929 121.981 122.820 0.150 0.000 1.972 334 A HA -0.260 4.060 4.320 0.000 0.000 0.219 334 A C 1.774 179.501 177.584 0.239 0.000 1.169 334 A CA 2.184 54.348 52.037 0.211 0.000 0.635 334 A CB -1.146 17.811 19.000 -0.071 0.000 0.810 334 A HN 0.763 nan 8.150 nan 0.000 0.446 335 H N 0.061 119.168 119.070 0.062 0.000 2.299 335 H HA -0.092 4.465 4.556 0.000 0.000 0.302 335 H C 2.003 177.317 175.328 -0.023 0.000 1.078 335 H CA 1.941 57.996 56.048 0.011 0.000 1.323 335 H CB 0.060 29.819 29.762 -0.005 0.000 1.381 335 H HN 0.405 nan 8.280 nan 0.000 0.498 336 E N 0.456 120.722 120.200 0.110 0.000 2.051 336 E HA -0.187 4.163 4.350 0.000 0.000 0.192 336 E C 2.417 179.068 176.600 0.085 0.000 0.991 336 E CA 1.324 57.797 56.400 0.122 0.000 0.799 336 E CB -0.451 29.358 29.700 0.181 0.000 0.748 336 E HN 0.621 nan 8.360 nan 0.000 0.449 337 M N 0.426 120.104 119.600 0.131 0.000 2.202 337 M HA -0.083 4.397 4.480 0.000 0.000 0.262 337 M C 2.346 178.687 176.300 0.068 0.000 1.063 337 M CA 1.618 56.987 55.300 0.114 0.000 1.097 337 M CB -0.640 32.053 32.600 0.155 0.000 1.382 337 M HN 0.171 nan 8.290 nan 0.000 0.413 338 G N -0.242 108.619 108.800 0.102 0.000 2.446 338 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 338 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 338 G C 1.232 176.019 174.900 -0.187 0.000 1.168 338 G CA 0.932 46.012 45.100 -0.033 0.000 0.771 338 G HN 0.412 nan 8.290 nan 0.000 0.551 339 H N 0.753 119.741 119.070 -0.137 0.000 2.321 339 H HA -0.051 4.505 4.556 0.000 0.000 0.300 339 H C 2.589 177.811 175.328 -0.177 0.000 1.087 339 H CA 1.374 57.322 56.048 -0.168 0.000 1.319 339 H CB -0.682 28.997 29.762 -0.138 0.000 1.379 339 H HN 0.451 nan 8.280 nan 0.000 0.501 340 N N 0.529 119.250 118.700 0.035 0.000 2.258 340 N HA -0.125 4.615 4.740 0.000 0.000 0.187 340 N C 0.909 176.327 175.510 -0.154 0.000 1.012 340 N CA 0.367 53.420 53.050 0.006 0.000 0.870 340 N CB -0.045 38.486 38.487 0.073 0.000 0.977 340 N HN 0.204 nan 8.380 nan 0.000 0.434 341 L N -0.013 121.068 121.223 -0.236 0.000 2.728 341 L HA 0.234 4.574 4.340 0.000 0.000 0.235 341 L C 1.138 177.612 176.870 -0.659 0.000 1.197 341 L CA -0.239 54.404 54.840 -0.329 0.000 0.992 341 L CB -0.020 41.852 42.059 -0.312 0.000 1.263 341 L HN 0.191 nan 8.230 nan 0.000 0.484 342 G N -0.051 108.187 108.800 -0.938 0.000 2.162 342 G HA2 -0.310 3.651 3.960 0.000 0.000 0.260 342 G HA3 -0.310 3.651 3.960 0.000 0.000 0.260 342 G C 0.295 175.026 174.900 -0.282 0.000 0.976 342 G CA 0.075 44.635 45.100 -0.900 0.000 0.655 342 G HN 0.329 nan 8.290 nan 0.000 0.533 343 M N 0.463 119.938 119.600 -0.208 0.000 2.274 343 M HA 0.497 4.977 4.480 0.000 0.000 0.344 343 M C -0.063 176.256 176.300 0.032 0.000 1.161 343 M CA -0.334 54.908 55.300 -0.097 0.000 1.126 343 M CB 1.112 33.602 32.600 -0.183 0.000 1.522 343 M HN 0.144 nan 8.290 nan 0.000 0.461 344 D N -0.155 120.288 120.400 0.072 0.000 2.450 344 D HA 0.310 4.950 4.640 0.000 0.000 0.238 344 D C -0.876 175.562 176.300 0.231 0.000 1.020 344 D CA -0.499 53.583 54.000 0.137 0.000 1.010 344 D CB 1.225 42.053 40.800 0.047 0.000 1.342 344 D HN 0.598 nan 8.370 nan 0.000 0.530 345 H N 0.692 119.896 119.070 0.223 0.000 3.038 345 H HA 0.009 4.566 4.556 0.000 0.000 0.338 345 H C -0.155 175.252 175.328 0.132 0.000 1.041 345 H CA -0.258 55.914 56.048 0.207 0.000 1.394 345 H CB 0.652 30.535 29.762 0.201 0.000 1.357 345 H HN 0.200 nan 8.280 nan 0.000 0.600 346 D N 3.164 123.708 120.400 0.240 0.000 2.345 346 D HA 0.072 4.712 4.640 0.000 0.000 0.247 346 D C 0.347 176.716 176.300 0.115 0.000 1.108 346 D CA -0.097 53.992 54.000 0.147 0.000 0.894 346 D CB 1.129 41.995 40.800 0.111 0.000 1.203 346 D HN 0.301 nan 8.370 nan 0.000 0.430 347 K N 1.129 121.583 120.400 0.090 0.000 2.090 347 K HA 0.128 4.448 4.320 0.000 0.000 0.249 347 K C 0.618 177.249 176.600 0.051 0.000 0.995 347 K CA -0.566 55.762 56.287 0.069 0.000 0.914 347 K CB 0.883 33.419 32.500 0.060 0.000 1.057 347 K HN 0.260 nan 8.250 nan 0.000 0.462 348 D N 0.669 121.092 120.400 0.039 0.000 2.389 348 D HA -0.116 4.525 4.640 0.000 0.000 0.221 348 D C 1.170 177.486 176.300 0.027 0.000 0.974 348 D CA 1.305 55.322 54.000 0.028 0.000 0.923 348 D CB 0.263 41.076 40.800 0.022 0.000 0.892 348 D HN 0.495 nan 8.370 nan 0.000 0.518 349 T N -0.695 113.878 114.554 0.032 0.000 3.081 349 T HA 0.015 4.366 4.350 0.000 0.000 0.250 349 T C 0.677 175.397 174.700 0.034 0.000 1.100 349 T CA -0.090 62.028 62.100 0.030 0.000 1.038 349 T CB -0.032 68.854 68.868 0.030 0.000 0.962 349 T HN 0.052 nan 8.240 nan 0.000 0.516 350 c N 3.049 121.674 118.600 0.042 0.000 2.388 350 c HA 0.770 5.341 4.570 0.000 0.000 0.362 350 c C 0.752 174.867 174.090 0.041 0.000 1.266 350 c CA -0.902 55.456 56.329 0.048 0.000 2.028 350 c CB 0.257 42.806 42.510 0.065 0.000 2.440 350 c HN 0.658 nan 8.230 nan 0.000 0.547 351 T N -1.367 113.211 114.554 0.040 0.000 2.864 351 T HA 0.624 4.974 4.350 0.000 0.000 0.299 351 T C -0.240 174.480 174.700 0.034 0.000 1.166 351 T CA -0.590 61.527 62.100 0.029 0.000 1.007 351 T CB 1.211 70.090 68.868 0.019 0.000 1.219 351 T HN 1.063 nan 8.240 nan 0.000 0.506 352 c N -0.810 117.802 118.600 0.020 0.000 3.680 352 c HA 0.868 5.438 4.570 0.000 0.000 0.301 352 c C 1.100 175.188 174.090 -0.003 0.000 2.566 352 c CA -0.045 56.294 56.329 0.017 0.000 1.614 352 c CB -0.846 41.674 42.510 0.017 0.000 3.388 352 c HN 1.869 nan 8.230 nan 0.000 0.384 353 G N 1.555 110.352 108.800 -0.004 0.000 2.295 353 G HA2 0.113 4.074 3.960 0.000 0.000 0.195 353 G HA3 0.113 4.074 3.960 0.000 0.000 0.195 353 G C 0.264 175.153 174.900 -0.019 0.000 1.269 353 G CA 0.323 45.414 45.100 -0.015 0.000 1.170 353 G HN 0.264 nan 8.290 nan 0.000 0.511 354 T N 1.351 115.887 114.554 -0.029 0.000 3.031 354 T HA 0.214 4.564 4.350 0.000 0.000 0.254 354 T C 1.374 176.053 174.700 -0.035 0.000 1.060 354 T CA 0.960 63.042 62.100 -0.029 0.000 1.135 354 T CB -0.057 68.792 68.868 -0.033 0.000 0.896 354 T HN 0.502 nan 8.240 nan 0.000 0.472 355 R N 2.017 122.489 120.500 -0.048 0.000 2.615 355 R HA 0.286 4.627 4.340 0.000 0.000 0.270 355 R C -2.410 173.864 176.300 -0.044 0.000 1.081 355 R CA -1.746 54.321 56.100 -0.055 0.000 1.154 355 R CB -0.015 30.235 30.300 -0.082 0.000 1.063 355 R HN 0.192 nan 8.270 nan 0.000 0.519 356 P HA 0.068 nan 4.420 nan 0.000 0.274 356 P C -0.405 176.872 177.300 -0.038 0.000 1.231 356 P CA -0.334 62.746 63.100 -0.034 0.000 0.790 356 P CB 0.624 32.301 31.700 -0.039 0.000 0.951 357 c N 0.591 119.176 118.600 -0.026 0.000 2.345 357 c HA 0.191 4.761 4.570 0.000 0.000 0.369 357 c C 2.611 176.661 174.090 -0.065 0.000 1.273 357 c CA -0.643 55.659 56.329 -0.044 0.000 2.310 357 c CB 0.111 42.627 42.510 0.009 0.000 2.219 357 c HN 0.444 nan 8.230 nan 0.000 0.587 358 V N 1.018 120.822 119.914 -0.184 0.000 2.282 358 V HA -0.216 3.904 4.120 0.000 0.000 0.249 358 V C 1.899 178.058 176.094 0.109 0.000 1.057 358 V CA 1.826 64.009 62.300 -0.196 0.000 1.032 358 V CB -0.482 30.915 31.823 -0.709 0.000 0.645 358 V HN 0.782 nan 8.190 nan 0.000 0.447 359 M N 0.292 120.016 119.600 0.207 0.000 2.686 359 M HA 0.300 4.780 4.480 0.000 0.000 0.216 359 M C 0.627 177.082 176.300 0.258 0.000 1.221 359 M CA -0.499 55.015 55.300 0.356 0.000 0.992 359 M CB -1.461 31.299 32.600 0.267 0.000 1.739 359 M HN 0.308 nan 8.290 nan 0.000 0.461 360 A N -0.105 122.758 122.820 0.072 0.000 2.401 360 A HA 0.547 4.867 4.320 0.000 0.000 0.259 360 A C 1.548 179.006 177.584 -0.210 0.000 1.103 360 A CA 0.179 52.193 52.037 -0.040 0.000 0.789 360 A CB 0.111 19.072 19.000 -0.065 0.000 1.035 360 A HN 0.602 nan 8.150 nan 0.000 0.491 361 G N 1.660 110.317 108.800 -0.238 0.000 2.442 361 G HA2 0.201 4.161 3.960 0.000 0.000 0.219 361 G HA3 0.201 4.161 3.960 0.000 0.000 0.219 361 G C 0.740 175.455 174.900 -0.309 0.000 1.141 361 G CA 1.148 45.986 45.100 -0.437 0.000 0.763 361 G HN 1.391 nan 8.290 nan 0.000 0.554 362 A N -0.338 122.364 122.820 -0.196 0.000 2.304 362 A HA 0.661 4.981 4.320 0.000 0.000 0.323 362 A C -0.851 176.636 177.584 -0.161 0.000 1.195 362 A CA -0.633 51.311 52.037 -0.156 0.000 0.826 362 A CB 1.428 20.369 19.000 -0.097 0.000 1.184 362 A HN 0.369 nan 8.150 nan 0.000 0.496 363 L N 2.945 124.069 121.223 -0.165 0.000 2.282 363 L HA 0.443 4.783 4.340 0.000 0.000 0.287 363 L C -0.046 176.769 176.870 -0.092 0.000 1.075 363 L CA 0.480 55.236 54.840 -0.141 0.000 0.839 363 L CB 0.451 42.409 42.059 -0.168 0.000 1.219 363 L HN 0.521 nan 8.230 nan 0.000 0.434 364 S N 3.306 118.968 115.700 -0.064 0.000 2.554 364 S HA 0.131 4.601 4.470 0.000 0.000 0.278 364 S C 1.070 175.660 174.600 -0.017 0.000 1.242 364 S CA -0.323 57.851 58.200 -0.043 0.000 1.051 364 S CB 0.909 64.084 63.200 -0.042 0.000 0.986 364 S HN 0.867 nan 8.310 nan 0.000 0.502 365 C N 1.716 121.010 119.300 -0.009 0.000 2.503 365 C HA 0.161 4.622 4.460 0.000 0.000 0.285 365 C C 0.791 175.779 174.990 -0.004 0.000 1.473 365 C CA -0.143 58.882 59.018 0.012 0.000 1.708 365 C CB -1.929 25.817 27.740 0.011 0.000 1.638 365 C HN 0.866 nan 8.230 nan 0.000 0.585 366 E N 0.993 121.180 120.200 -0.022 0.000 2.603 366 E HA 0.449 4.800 4.350 0.000 0.000 0.211 366 E C 0.808 177.376 176.600 -0.054 0.000 0.995 366 E CA 0.330 56.702 56.400 -0.047 0.000 0.990 366 E CB 0.371 30.040 29.700 -0.050 0.000 1.036 366 E HN 0.644 nan 8.360 nan 0.000 0.475 367 A N 1.427 124.235 122.820 -0.020 0.000 2.498 367 A HA 0.369 4.689 4.320 0.000 0.000 0.239 367 A C 0.760 178.335 177.584 -0.015 0.000 1.068 367 A CA -0.136 51.895 52.037 -0.010 0.000 0.766 367 A CB 0.155 19.166 19.000 0.018 0.000 1.003 367 A HN 0.251 nan 8.150 nan 0.000 0.497 368 S N 1.103 116.771 115.700 -0.054 0.000 2.686 368 S HA 0.606 5.076 4.470 0.000 0.000 0.270 368 S C 0.036 174.708 174.600 0.119 0.000 1.194 368 S CA -0.446 57.671 58.200 -0.138 0.000 0.990 368 S CB 0.475 63.587 63.200 -0.147 0.000 1.029 368 S HN 0.544 nan 8.310 nan 0.000 0.560 369 F N 0.007 119.866 119.950 -0.153 0.000 2.750 369 F HA 0.359 4.886 4.527 0.001 0.000 0.297 369 F C -0.499 175.126 175.800 -0.292 0.000 1.138 369 F CA -0.741 57.132 58.000 -0.212 0.000 1.346 369 F CB 0.175 39.096 39.000 -0.132 0.000 0.965 369 F HN 0.118 nan 8.300 nan 0.000 0.514 370 L N -0.308 120.845 121.223 -0.116 0.000 2.322 370 L HA 0.474 4.814 4.340 0.000 0.000 0.269 370 L C -0.583 176.126 176.870 -0.268 0.000 1.012 370 L CA -0.744 54.005 54.840 -0.153 0.000 0.815 370 L CB 1.103 43.133 42.059 -0.048 0.000 1.295 370 L HN -0.138 nan 8.230 nan 0.000 0.438 371 F N 0.073 120.008 119.950 -0.025 0.000 2.420 371 F HA 0.439 4.967 4.527 0.000 0.000 0.342 371 F C 0.778 176.580 175.800 0.003 0.000 1.113 371 F CA -0.563 57.423 58.000 -0.023 0.000 1.059 371 F CB 1.578 40.553 39.000 -0.042 0.000 1.128 371 F HN 0.500 nan 8.300 nan 0.000 0.475 372 S N 0.992 116.822 115.700 0.218 0.000 2.576 372 S HA 0.008 4.479 4.470 0.000 0.000 0.272 372 S C 0.995 175.672 174.600 0.128 0.000 1.352 372 S CA -0.271 58.010 58.200 0.134 0.000 1.021 372 S CB 0.673 63.941 63.200 0.115 0.000 0.887 372 S HN 0.660 nan 8.310 nan 0.000 0.542 373 D N 0.853 121.306 120.400 0.089 0.000 2.182 373 D HA -0.139 4.501 4.640 0.000 0.000 0.201 373 D C 1.784 178.129 176.300 0.075 0.000 0.986 373 D CA 1.342 55.387 54.000 0.075 0.000 0.847 373 D CB -1.325 39.508 40.800 0.056 0.000 0.942 373 D HN 0.535 nan 8.370 nan 0.000 0.467 374 c N 0.273 118.920 118.600 0.079 0.000 2.453 374 c HA -0.028 4.542 4.570 0.000 0.000 0.277 374 c C 3.071 177.210 174.090 0.081 0.000 1.262 374 c CA 0.910 57.284 56.329 0.076 0.000 1.718 374 c CB -1.079 41.478 42.510 0.078 0.000 2.031 374 c HN 0.359 nan 8.230 nan 0.000 0.480 375 S N 0.617 116.377 115.700 0.099 0.000 2.359 375 S HA -0.279 4.191 4.470 0.000 0.000 0.223 375 S C 1.864 176.482 174.600 0.030 0.000 1.039 375 S CA 1.639 59.884 58.200 0.074 0.000 1.042 375 S CB -0.507 62.794 63.200 0.168 0.000 0.915 375 S HN 0.689 nan 8.310 nan 0.000 0.439 376 Q N 0.279 120.114 119.800 0.058 0.000 2.135 376 Q HA -0.158 4.182 4.340 0.000 0.000 0.204 376 Q C 2.225 178.277 176.000 0.086 0.000 0.981 376 Q CA 1.315 57.159 55.803 0.068 0.000 0.856 376 Q CB -0.148 28.637 28.738 0.078 0.000 0.902 376 Q HN 0.230 nan 8.270 nan 0.000 0.425 377 K N 1.180 121.625 120.400 0.073 0.000 2.031 377 K HA -0.124 4.197 4.320 0.000 0.000 0.205 377 K C 1.414 178.064 176.600 0.084 0.000 1.049 377 K CA 1.549 57.875 56.287 0.065 0.000 0.939 377 K CB -0.258 32.275 32.500 0.055 0.000 0.717 377 K HN 0.083 nan 8.250 nan 0.000 0.438 378 D N -0.252 120.203 120.400 0.091 0.000 2.133 378 D HA -0.225 4.415 4.640 0.000 0.000 0.195 378 D C 1.878 178.285 176.300 0.178 0.000 0.997 378 D CA 1.256 55.321 54.000 0.108 0.000 0.840 378 D CB -0.280 40.567 40.800 0.079 0.000 0.947 378 D HN 0.519 nan 8.370 nan 0.000 0.452 379 H N 0.997 120.087 119.070 0.034 0.000 2.267 379 H HA -0.103 4.453 4.556 0.000 0.000 0.297 379 H C 2.415 177.828 175.328 0.141 0.000 1.080 379 H CA 1.477 57.563 56.048 0.063 0.000 1.278 379 H CB 0.205 29.941 29.762 -0.043 0.000 1.365 379 H HN -0.033 nan 8.280 nan 0.000 0.489 380 R N 0.439 120.933 120.500 -0.010 0.000 2.094 380 R HA -0.218 4.123 4.340 0.000 0.000 0.239 380 R C 2.427 178.728 176.300 0.002 0.000 1.137 380 R CA 2.196 58.246 56.100 -0.083 0.000 0.943 380 R CB -0.253 30.028 30.300 -0.032 0.000 0.850 380 R HN 0.313 nan 8.270 nan 0.000 0.433 381 E N 0.051 120.286 120.200 0.057 0.000 2.070 381 E HA -0.235 4.116 4.350 0.000 0.000 0.197 381 E C 1.660 178.309 176.600 0.082 0.000 1.004 381 E CA 1.776 58.213 56.400 0.061 0.000 0.805 381 E CB -0.550 29.196 29.700 0.077 0.000 0.744 381 E HN 0.400 nan 8.360 nan 0.000 0.451 382 F N 0.779 120.740 119.950 0.017 0.000 2.065 382 F HA -0.207 4.320 4.527 0.000 0.000 0.298 382 F C 1.914 177.726 175.800 0.020 0.000 1.112 382 F CA 1.826 59.846 58.000 0.033 0.000 1.212 382 F CB -0.482 38.572 39.000 0.090 0.000 0.975 382 F HN 0.066 nan 8.300 nan 0.000 0.476 383 L N -0.118 121.077 121.223 -0.048 0.000 2.042 383 L HA -0.252 4.088 4.340 0.000 0.000 0.210 383 L C 2.548 179.336 176.870 -0.137 0.000 1.076 383 L CA 1.534 56.323 54.840 -0.086 0.000 0.749 383 L CB -0.785 41.326 42.059 0.088 0.000 0.893 383 L HN 0.246 nan 8.230 nan 0.000 0.432 384 I N -0.024 120.497 120.570 -0.083 0.000 2.202 384 I HA -0.285 3.885 4.170 0.000 0.000 0.242 384 I C 2.402 178.423 176.117 -0.161 0.000 1.091 384 I CA 1.416 62.665 61.300 -0.085 0.000 1.368 384 I CB -0.211 37.768 38.000 -0.036 0.000 1.058 384 I HN 0.182 nan 8.210 nan 0.000 0.410 385 K N 0.365 120.664 120.400 -0.168 0.000 2.505 385 K HA 0.017 4.338 4.320 0.000 0.000 0.192 385 K C 1.118 177.563 176.600 -0.258 0.000 1.025 385 K CA 0.457 56.643 56.287 -0.169 0.000 1.086 385 K CB 0.233 32.675 32.500 -0.098 0.000 0.840 385 K HN 0.336 nan 8.250 nan 0.000 0.514 386 N N -0.329 118.131 118.700 -0.400 0.000 2.575 386 N HA 0.101 4.841 4.740 0.000 0.000 0.258 386 N C -0.366 174.855 175.510 -0.480 0.000 1.019 386 N CA 0.280 53.047 53.050 -0.471 0.000 0.909 386 N CB 0.509 38.511 38.487 -0.808 0.000 1.728 386 N HN 0.006 nan 8.380 nan 0.000 0.604 387 M N 1.977 121.212 119.600 -0.609 0.000 2.399 387 M HA -0.091 4.390 4.480 0.000 0.000 0.191 387 M C -2.614 173.377 176.300 -0.515 0.000 0.732 387 M CA 0.046 54.744 55.300 -1.002 0.000 0.512 387 M CB -1.307 30.577 32.600 -1.193 0.000 1.191 387 M HN 0.015 nan 8.290 nan 0.000 0.894 388 P HA -0.048 nan 4.420 nan 0.000 0.260 388 P C 0.379 177.758 177.300 0.132 0.000 1.207 388 P CA 0.416 63.521 63.100 0.008 0.000 0.780 388 P CB 0.652 32.426 31.700 0.123 0.000 0.789 389 Q N 2.499 122.339 119.800 0.067 0.000 2.119 389 Q HA -0.127 4.214 4.340 0.000 0.000 0.201 389 Q C 2.237 178.312 176.000 0.125 0.000 0.972 389 Q CA 1.768 57.643 55.803 0.120 0.000 0.847 389 Q CB -1.310 27.454 28.738 0.044 0.000 0.903 389 Q HN 0.721 nan 8.270 nan 0.000 0.433 390 c N 0.993 119.645 118.600 0.088 0.000 2.403 390 c HA -0.120 4.450 4.570 0.000 0.000 0.277 390 c C 2.450 176.607 174.090 0.112 0.000 1.248 390 c CA 0.723 57.097 56.329 0.075 0.000 1.762 390 c CB -1.579 40.958 42.510 0.045 0.000 2.014 390 c HN 0.593 nan 8.230 nan 0.000 0.486 391 I N -1.099 119.560 120.570 0.148 0.000 3.605 391 I HA 0.163 4.334 4.170 0.000 0.000 0.301 391 I C 1.739 177.975 176.117 0.198 0.000 1.267 391 I CA 0.805 62.208 61.300 0.171 0.000 1.236 391 I CB -0.501 37.597 38.000 0.163 0.000 1.010 391 I HN 0.352 nan 8.210 nan 0.000 0.491 392 L N 0.706 122.038 121.223 0.180 0.000 2.408 392 L HA 0.204 4.544 4.340 0.000 0.000 0.215 392 L C 1.326 178.296 176.870 0.166 0.000 1.081 392 L CA 0.168 55.111 54.840 0.173 0.000 0.840 392 L CB -0.026 42.127 42.059 0.156 0.000 1.002 392 L HN 0.209 nan 8.230 nan 0.000 0.468 393 K N 2.292 122.752 120.400 0.101 0.000 2.339 393 K HA 0.073 4.393 4.320 0.000 0.000 0.286 393 K C -0.120 176.390 176.600 -0.149 0.000 1.050 393 K CA -0.219 56.067 56.287 -0.002 0.000 0.956 393 K CB 0.805 33.309 32.500 0.007 0.000 0.990 393 K HN -0.147 nan 8.250 nan 0.000 0.475 394 K N 5.742 125.901 120.400 -0.402 0.000 2.218 394 K HA 0.272 4.592 4.320 0.000 0.000 0.276 394 K C -2.212 174.193 176.600 -0.325 0.000 1.022 394 K CA -1.812 53.953 56.287 -0.869 0.000 0.946 394 K CB 0.866 32.797 32.500 -0.949 0.000 1.000 394 K HN 0.432 nan 8.250 nan 0.000 0.468 395 P HA 0.119 nan 4.420 nan 0.000 0.286 395 P C -0.595 176.770 177.300 0.108 0.000 1.269 395 P CA -0.323 62.770 63.100 -0.012 0.000 0.787 395 P CB 0.719 32.401 31.700 -0.030 0.000 0.920 396 L N 3.653 124.919 121.223 0.071 0.000 2.490 396 L HA 0.050 4.391 4.340 0.000 0.000 0.274 396 L C 1.959 178.922 176.870 0.155 0.000 1.201 396 L CA -0.057 54.833 54.840 0.083 0.000 0.869 396 L CB -0.066 42.020 42.059 0.045 0.000 1.123 396 L HN 0.395 nan 8.230 nan 0.000 0.484 397 K N 0.688 121.178 120.400 0.150 0.000 2.293 397 K HA -0.185 4.135 4.320 0.000 0.000 0.204 397 K C 1.738 178.418 176.600 0.135 0.000 1.045 397 K CA 1.850 58.245 56.287 0.179 0.000 0.933 397 K CB -0.258 32.273 32.500 0.052 0.000 0.736 397 K HN 0.874 nan 8.250 nan 0.000 0.463 398 T N -1.856 112.751 114.554 0.088 0.000 3.100 398 T HA 0.004 4.354 4.350 0.000 0.000 0.253 398 T C 1.131 175.872 174.700 0.067 0.000 1.118 398 T CA 0.482 62.621 62.100 0.065 0.000 1.058 398 T CB 0.144 69.039 68.868 0.045 0.000 0.953 398 T HN 0.011 nan 8.240 nan 0.000 0.515 399 D N 1.150 121.597 120.400 0.079 0.000 2.327 399 D HA 0.115 4.755 4.640 0.000 0.000 0.205 399 D C 0.345 176.680 176.300 0.057 0.000 0.989 399 D CA 0.209 54.251 54.000 0.068 0.000 0.873 399 D CB 0.314 41.153 40.800 0.065 0.000 0.955 399 D HN 0.287 nan 8.370 nan 0.000 0.515 400 V N 3.119 123.070 119.914 0.061 0.000 2.403 400 V HA -0.050 4.070 4.120 0.000 0.000 0.265 400 V C 1.878 177.979 176.094 0.011 0.000 1.034 400 V CA -0.002 62.309 62.300 0.019 0.000 1.036 400 V CB 0.990 32.840 31.823 0.046 0.000 1.032 400 V HN 0.042 nan 8.190 nan 0.000 0.478 401 V N 2.705 122.617 119.914 -0.003 0.000 3.380 401 V HA 0.053 4.173 4.120 0.000 0.000 0.268 401 V C 1.127 177.189 176.094 -0.055 0.000 1.168 401 V CA 0.702 63.001 62.300 -0.002 0.000 1.156 401 V CB -0.421 31.410 31.823 0.013 0.000 0.785 401 V HN 0.801 nan 8.190 nan 0.000 0.487 402 S N 0.585 116.208 115.700 -0.128 0.000 2.562 402 S HA 0.602 5.072 4.470 0.000 0.000 0.275 402 S C -2.551 171.855 174.600 -0.323 0.000 1.281 402 S CA -1.382 56.604 58.200 -0.357 0.000 1.045 402 S CB 0.640 63.650 63.200 -0.317 0.000 0.962 402 S HN 0.303 nan 8.310 nan 0.000 0.503 403 P HA 0.210 nan 4.420 nan 0.000 0.264 403 P C -0.269 176.933 177.300 -0.163 0.000 1.193 403 P CA 0.119 63.058 63.100 -0.269 0.000 0.763 403 P CB 0.115 31.632 31.700 -0.306 0.000 0.810 404 A N 3.470 126.246 122.820 -0.073 0.000 2.587 404 A HA 0.192 4.512 4.320 0.000 0.000 0.235 404 A C -0.006 177.560 177.584 -0.031 0.000 1.044 404 A CA 0.472 52.496 52.037 -0.022 0.000 0.754 404 A CB -0.271 18.726 19.000 -0.005 0.000 0.968 404 A HN 0.397 nan 8.150 nan 0.000 0.509 405 V N 3.395 123.306 119.914 -0.005 0.000 2.488 405 V HA 0.166 4.286 4.120 0.000 0.000 0.293 405 V C 0.041 176.133 176.094 -0.003 0.000 1.027 405 V CA -0.683 61.610 62.300 -0.011 0.000 0.862 405 V CB 1.318 33.134 31.823 -0.012 0.000 1.008 405 V HN 1.091 nan 8.190 nan 0.000 0.428 406 c N 5.326 123.914 118.600 -0.019 0.000 2.573 406 c HA 0.581 5.151 4.570 0.000 0.000 0.369 406 c C 1.441 175.491 174.090 -0.066 0.000 1.205 406 c CA 1.096 57.402 56.329 -0.038 0.000 1.535 406 c CB -1.780 40.708 42.510 -0.038 0.000 2.159 406 c HN 1.350 nan 8.230 nan 0.000 0.558 407 G N 5.348 114.086 108.800 -0.102 0.000 2.870 407 G HA2 -0.177 3.783 3.960 0.000 0.000 0.216 407 G HA3 -0.177 3.783 3.960 0.000 0.000 0.216 407 G C 0.423 175.198 174.900 -0.208 0.000 0.973 407 G CA 0.166 45.146 45.100 -0.199 0.000 0.807 407 G HN 0.787 nan 8.290 nan 0.000 0.573 408 N N 0.627 119.306 118.700 -0.034 0.000 2.346 408 N HA 0.131 4.872 4.740 0.000 0.000 0.225 408 N C 0.793 176.493 175.510 0.317 0.000 1.144 408 N CA -0.084 53.057 53.050 0.152 0.000 0.837 408 N CB -0.550 38.033 38.487 0.160 0.000 1.069 408 N HN 0.538 nan 8.380 nan 0.000 0.487 409 Y N -1.338 119.004 120.300 0.069 0.000 4.144 409 Y HA -0.276 4.274 4.550 0.001 0.000 0.216 409 Y C -0.540 175.570 175.900 0.351 0.000 1.115 409 Y CA 0.789 58.947 58.100 0.096 0.000 1.729 409 Y CB -2.518 35.860 38.460 -0.138 0.000 1.553 409 Y HN 0.338 nan 8.280 nan 0.000 0.633 410 F N -0.530 119.550 119.950 0.217 0.000 2.579 410 F HA 0.608 5.135 4.527 0.000 0.000 0.325 410 F C -0.409 175.453 175.800 0.103 0.000 1.162 410 F CA -1.758 56.362 58.000 0.199 0.000 0.946 410 F CB 0.942 40.069 39.000 0.211 0.000 1.211 410 F HN -0.294 nan 8.300 nan 0.000 0.447 411 V N 6.406 126.032 119.914 -0.480 0.000 2.400 411 V HA 0.059 4.180 4.120 0.000 0.000 0.263 411 V C 0.270 176.084 176.094 -0.467 0.000 1.026 411 V CA 0.298 62.378 62.300 -0.366 0.000 1.077 411 V CB -0.483 31.171 31.823 -0.281 0.000 1.054 411 V HN 0.748 nan 8.190 nan 0.000 0.477 412 E N 2.859 122.967 120.200 -0.152 0.000 2.790 412 E HA 0.452 4.803 4.350 0.000 0.000 0.256 412 E C -0.366 176.219 176.600 -0.025 0.000 1.246 412 E CA -0.926 55.471 56.400 -0.004 0.000 1.041 412 E CB 0.870 30.650 29.700 0.133 0.000 1.272 412 E HN 0.406 nan 8.360 nan 0.000 0.603 413 V N 1.146 121.069 119.914 0.015 0.000 2.599 413 V HA 0.230 4.350 4.120 0.000 0.000 0.300 413 V C 1.187 177.277 176.094 -0.006 0.000 1.034 413 V CA 1.463 63.764 62.300 0.001 0.000 1.115 413 V CB 0.088 31.919 31.823 0.014 0.000 0.934 413 V HN 0.984 nan 8.190 nan 0.000 0.485 414 G N 3.631 112.423 108.800 -0.013 0.000 2.175 414 G HA2 -0.184 3.777 3.960 0.000 0.000 0.244 414 G HA3 -0.184 3.777 3.960 0.000 0.000 0.244 414 G C -0.076 174.811 174.900 -0.020 0.000 0.982 414 G CA 0.147 45.239 45.100 -0.014 0.000 0.641 414 G HN 0.699 nan 8.290 nan 0.000 0.527 415 E N -0.464 119.717 120.200 -0.030 0.000 2.238 415 E HA 0.525 4.875 4.350 0.000 0.000 0.267 415 E C 0.379 176.952 176.600 -0.045 0.000 0.887 415 E CA -0.693 55.684 56.400 -0.038 0.000 0.769 415 E CB 1.539 31.211 29.700 -0.046 0.000 1.187 415 E HN 0.355 nan 8.360 nan 0.000 0.416 416 E N 0.293 120.470 120.200 -0.038 0.000 2.389 416 E HA 0.091 4.441 4.350 0.000 0.000 0.199 416 E C 0.337 176.915 176.600 -0.035 0.000 0.978 416 E CA 0.329 56.710 56.400 -0.032 0.000 0.912 416 E CB 0.426 30.112 29.700 -0.023 0.000 0.907 416 E HN 0.571 nan 8.360 nan 0.000 0.494 417 c N -0.991 117.584 118.600 -0.042 0.000 3.292 417 c HA 0.608 5.179 4.570 0.000 0.000 0.338 417 c C -1.926 172.135 174.090 -0.049 0.000 1.323 417 c CA -1.279 55.027 56.329 -0.038 0.000 1.232 417 c CB 1.875 44.371 42.510 -0.023 0.000 1.517 417 c HN 0.052 nan 8.230 nan 0.000 0.470 418 D N 0.506 120.879 120.400 -0.046 0.000 2.319 418 D HA 0.332 4.972 4.640 0.000 0.000 0.237 418 D C 0.411 176.635 176.300 -0.128 0.000 1.353 418 D CA -0.169 53.780 54.000 -0.085 0.000 0.992 418 D CB 0.934 41.697 40.800 -0.062 0.000 1.368 418 D HN 1.063 nan 8.370 nan 0.000 0.564 419 c N 2.339 120.843 118.600 -0.161 0.000 2.480 419 c HA 0.808 5.378 4.570 0.000 0.000 0.317 419 c C 1.274 175.088 174.090 -0.460 0.000 1.300 419 c CA 0.218 56.445 56.329 -0.170 0.000 1.706 419 c CB -1.379 41.096 42.510 -0.059 0.000 1.840 419 c HN 0.745 nan 8.230 nan 0.000 0.596 420 G N 1.613 109.902 108.800 -0.852 0.000 2.615 420 G HA2 0.026 3.987 3.960 0.000 0.000 0.218 420 G HA3 0.026 3.987 3.960 0.000 0.000 0.218 420 G C -0.136 174.494 174.900 -0.450 0.000 1.339 420 G CA -0.155 44.212 45.100 -1.221 0.000 0.884 420 G HN 1.665 nan 8.290 nan 0.000 0.559 421 S N 0.294 115.839 115.700 -0.258 0.000 2.568 421 S HA 0.438 4.908 4.470 0.000 0.000 0.282 421 S C -0.998 173.559 174.600 -0.072 0.000 1.338 421 S CA 0.110 58.251 58.200 -0.098 0.000 1.045 421 S CB 1.534 64.728 63.200 -0.010 0.000 0.873 421 S HN 0.517 nan 8.310 nan 0.000 0.516 422 P HA -0.099 nan 4.420 nan 0.000 0.221 422 P C 1.536 178.827 177.300 -0.014 0.000 1.145 422 P CA 0.895 63.975 63.100 -0.033 0.000 0.795 422 P CB 0.066 31.752 31.700 -0.024 0.000 0.775 423 R N -0.288 120.211 120.500 -0.003 0.000 2.075 423 R HA -0.067 4.273 4.340 0.000 0.000 0.226 423 R C 1.919 178.231 176.300 0.021 0.000 1.114 423 R CA 2.101 58.207 56.100 0.010 0.000 0.972 423 R CB -0.587 29.723 30.300 0.017 0.000 0.869 423 R HN 0.235 nan 8.270 nan 0.000 0.437 424 T N -2.046 112.527 114.554 0.031 0.000 3.031 424 T HA -0.001 4.349 4.350 0.000 0.000 0.254 424 T C 1.265 175.998 174.700 0.055 0.000 1.060 424 T CA 0.163 62.300 62.100 0.061 0.000 1.135 424 T CB -0.759 68.179 68.868 0.118 0.000 0.896 424 T HN 0.298 nan 8.240 nan 0.000 0.472 425 c N 4.456 123.062 118.600 0.011 0.000 2.211 425 c HA 0.139 4.709 4.570 0.000 0.000 0.393 425 c C 1.992 176.098 174.090 0.026 0.000 1.531 425 c CA 0.114 56.441 56.329 -0.003 0.000 1.465 425 c CB -0.672 41.811 42.510 -0.045 0.000 2.534 425 c HN 0.799 nan 8.230 nan 0.000 0.592 426 R N 2.998 123.527 120.500 0.047 0.000 2.469 426 R HA 0.233 4.573 4.340 0.000 0.000 0.250 426 R C 0.200 176.525 176.300 0.041 0.000 0.909 426 R CA -0.470 55.658 56.100 0.047 0.000 1.050 426 R CB -0.337 30.003 30.300 0.066 0.000 1.256 426 R HN 0.698 nan 8.270 nan 0.000 0.550 427 D N 4.313 124.738 120.400 0.042 0.000 2.434 427 D HA 0.025 4.665 4.640 0.000 0.000 0.252 427 D C -1.360 174.949 176.300 0.016 0.000 1.185 427 D CA -1.375 52.646 54.000 0.035 0.000 0.886 427 D CB 1.528 42.350 40.800 0.036 0.000 1.148 427 D HN 0.131 nan 8.370 nan 0.000 0.483 428 P HA 0.050 nan 4.420 nan 0.000 0.249 428 P C 0.616 177.913 177.300 -0.004 0.000 1.241 428 P CA 0.068 63.170 63.100 0.004 0.000 0.781 428 P CB 0.087 31.791 31.700 0.007 0.000 1.088 429 c N -2.097 116.501 118.600 -0.004 0.000 3.097 429 c HA 0.291 4.862 4.570 0.000 0.000 0.335 429 c C 1.346 175.424 174.090 -0.020 0.000 1.283 429 c CA -0.203 56.116 56.329 -0.016 0.000 1.778 429 c CB -0.726 41.776 42.510 -0.014 0.000 2.365 429 c HN 0.276 nan 8.230 nan 0.000 0.627 430 c N 2.342 120.933 118.600 -0.015 0.000 2.376 430 c HA 0.544 5.115 4.570 0.000 0.000 0.335 430 c C -0.581 173.493 174.090 -0.027 0.000 1.229 430 c CA -0.250 56.065 56.329 -0.023 0.000 1.867 430 c CB 0.296 42.792 42.510 -0.025 0.000 2.319 430 c HN 0.530 nan 8.230 nan 0.000 0.515 431 D N 3.217 123.599 120.400 -0.030 0.000 2.453 431 D HA 0.326 4.966 4.640 0.000 0.000 0.223 431 D C 1.015 177.293 176.300 -0.038 0.000 1.183 431 D CA 0.236 54.218 54.000 -0.029 0.000 0.933 431 D CB 1.074 41.858 40.800 -0.026 0.000 1.038 431 D HN 0.708 nan 8.370 nan 0.000 0.513 432 A N 2.950 125.743 122.820 -0.043 0.000 2.093 432 A HA -0.212 4.109 4.320 0.000 0.000 0.222 432 A C 2.043 179.596 177.584 -0.053 0.000 1.162 432 A CA 1.836 53.837 52.037 -0.061 0.000 0.655 432 A CB -0.373 18.589 19.000 -0.064 0.000 0.805 432 A HN 0.563 nan 8.150 nan 0.000 0.461 433 T N -0.767 113.765 114.554 -0.037 0.000 2.851 433 T HA -0.054 4.296 4.350 0.000 0.000 0.262 433 T C 1.945 176.628 174.700 -0.028 0.000 1.043 433 T CA 1.895 63.977 62.100 -0.029 0.000 1.140 433 T CB -0.263 68.593 68.868 -0.021 0.000 0.872 433 T HN 0.805 nan 8.240 nan 0.000 0.446 434 T N -2.070 112.467 114.554 -0.028 0.000 3.044 434 T HA 0.175 4.525 4.350 0.000 0.000 0.260 434 T C 1.067 175.749 174.700 -0.030 0.000 1.019 434 T CA -0.030 62.055 62.100 -0.026 0.000 0.921 434 T CB -0.820 68.035 68.868 -0.021 0.000 1.053 434 T HN 0.299 nan 8.240 nan 0.000 0.533 435 c N 2.298 120.875 118.600 -0.038 0.000 4.350 435 c HA -0.085 4.485 4.570 0.000 0.000 0.302 435 c C 0.084 174.153 174.090 -0.035 0.000 1.390 435 c CA 0.387 56.690 56.329 -0.042 0.000 2.016 435 c CB -2.113 40.371 42.510 -0.043 0.000 1.271 435 c HN 0.545 nan 8.230 nan 0.000 0.760 436 K N -0.164 120.217 120.400 -0.032 0.000 2.318 436 K HA 0.693 5.013 4.320 0.000 0.000 0.249 436 K C 0.055 176.637 176.600 -0.030 0.000 0.942 436 K CA -0.592 55.678 56.287 -0.028 0.000 0.808 436 K CB 1.247 33.733 32.500 -0.025 0.000 1.189 436 K HN 0.323 nan 8.250 nan 0.000 0.428 437 L N 2.560 123.765 121.223 -0.031 0.000 2.461 437 L HA 0.193 4.533 4.340 0.000 0.000 0.272 437 L C 1.147 177.995 176.870 -0.037 0.000 1.197 437 L CA -0.020 54.798 54.840 -0.036 0.000 0.836 437 L CB 0.219 42.250 42.059 -0.047 0.000 1.105 437 L HN 0.315 nan 8.230 nan 0.000 0.477 438 R N 1.217 121.695 120.500 -0.037 0.000 2.649 438 R HA 0.137 4.477 4.340 0.000 0.000 0.270 438 R C -0.063 176.213 176.300 -0.040 0.000 1.105 438 R CA -0.676 55.404 56.100 -0.033 0.000 1.193 438 R CB 0.344 30.627 30.300 -0.028 0.000 1.120 438 R HN 0.539 nan 8.270 nan 0.000 0.561 439 Q N 0.385 120.164 119.800 -0.034 0.000 2.263 439 Q HA 0.033 4.374 4.340 0.000 0.000 0.289 439 Q C 0.398 176.372 176.000 -0.043 0.000 1.061 439 Q CA 1.225 57.006 55.803 -0.036 0.000 0.927 439 Q CB 0.375 29.096 28.738 -0.028 0.000 1.154 439 Q HN 0.869 nan 8.270 nan 0.000 0.378 440 G N 2.165 110.932 108.800 -0.054 0.000 2.157 440 G HA2 -0.245 3.715 3.960 0.000 0.000 0.239 440 G HA3 -0.245 3.715 3.960 0.000 0.000 0.239 440 G C -0.135 174.711 174.900 -0.089 0.000 0.982 440 G CA -0.053 45.008 45.100 -0.064 0.000 0.650 440 G HN 0.923 nan 8.290 nan 0.000 0.527 441 A N -0.399 122.362 122.820 -0.097 0.000 2.317 441 A HA 0.806 5.126 4.320 0.000 0.000 0.327 441 A C 0.747 178.216 177.584 -0.191 0.000 1.178 441 A CA 0.146 52.108 52.037 -0.126 0.000 0.817 441 A CB 0.911 19.860 19.000 -0.085 0.000 1.189 441 A HN 0.340 nan 8.150 nan 0.000 0.489 442 Q N 0.066 119.674 119.800 -0.319 0.000 2.317 442 Q HA 0.227 4.568 4.340 0.000 0.000 0.220 442 Q C 0.002 175.765 176.000 -0.395 0.000 0.873 442 Q CA 0.572 56.044 55.803 -0.551 0.000 0.936 442 Q CB 0.536 28.523 28.738 -1.253 0.000 1.105 442 Q HN 0.978 nan 8.270 nan 0.000 0.520 443 c N -4.511 113.972 118.600 -0.195 0.000 3.216 443 c HA 0.843 5.413 4.570 0.000 0.000 0.346 443 c C -0.001 174.088 174.090 -0.001 0.000 1.384 443 c CA -0.405 55.919 56.329 -0.008 0.000 1.208 443 c CB 1.095 43.706 42.510 0.168 0.000 1.483 443 c HN 0.073 nan 8.230 nan 0.000 0.453 444 A N -0.584 122.256 122.820 0.033 0.000 2.425 444 A HA 0.605 4.925 4.320 0.000 0.000 0.201 444 A C 0.045 177.663 177.584 0.056 0.000 1.431 444 A CA 0.346 52.402 52.037 0.032 0.000 1.066 444 A CB 0.192 19.204 19.000 0.020 0.000 1.318 444 A HN 0.847 nan 8.150 nan 0.000 0.534 445 E N -0.526 119.713 120.200 0.065 0.000 2.356 445 E HA 0.568 4.918 4.350 0.000 0.000 0.275 445 E C -0.464 176.179 176.600 0.072 0.000 0.904 445 E CA 0.065 56.508 56.400 0.071 0.000 0.757 445 E CB 1.905 31.646 29.700 0.069 0.000 1.232 445 E HN 1.073 nan 8.360 nan 0.000 0.442 446 G N 1.066 109.905 108.800 0.064 0.000 2.435 446 G HA2 -0.080 3.881 3.960 0.000 0.000 0.603 446 G HA3 -0.080 3.881 3.960 0.000 0.000 0.603 446 G C 0.282 175.210 174.900 0.047 0.000 1.496 446 G CA -0.766 44.365 45.100 0.052 0.000 0.896 446 G HN 0.413 nan 8.290 nan 0.000 0.657 447 L N -0.200 121.040 121.223 0.029 0.000 2.261 447 L HA -0.071 4.269 4.340 0.000 0.000 0.216 447 L C 2.173 179.056 176.870 0.022 0.000 1.114 447 L CA 1.400 56.253 54.840 0.022 0.000 0.777 447 L CB -0.158 41.906 42.059 0.009 0.000 0.910 447 L HN 0.610 nan 8.230 nan 0.000 0.440 448 c N -1.245 117.368 118.600 0.021 0.000 2.589 448 c HA 0.248 4.818 4.570 0.000 0.000 0.307 448 c C 0.864 175.009 174.090 0.092 0.000 1.328 448 c CA -1.008 55.335 56.329 0.024 0.000 1.742 448 c CB -0.948 41.541 42.510 -0.035 0.000 2.037 448 c HN 0.538 nan 8.230 nan 0.000 0.592 449 c N 1.712 120.374 118.600 0.103 0.000 2.369 449 c HA 0.666 5.236 4.570 0.000 0.000 0.322 449 c C -1.169 172.972 174.090 0.086 0.000 1.258 449 c CA -0.213 56.201 56.329 0.141 0.000 1.487 449 c CB 0.108 42.706 42.510 0.146 0.000 2.165 449 c HN 0.646 nan 8.230 nan 0.000 0.483 450 D N 3.192 123.637 120.400 0.074 0.000 2.863 450 D HA 0.360 5.000 4.640 0.000 0.000 0.245 450 D C -0.444 175.873 176.300 0.029 0.000 1.211 450 D CA 0.085 54.113 54.000 0.047 0.000 0.888 450 D CB 1.210 42.036 40.800 0.042 0.000 1.483 450 D HN 0.712 nan 8.370 nan 0.000 0.533 451 Q N 2.763 122.576 119.800 0.021 0.000 2.451 451 Q HA -0.263 4.077 4.340 0.000 0.000 0.305 451 Q C 0.168 176.163 176.000 -0.009 0.000 1.345 451 Q CA 0.733 56.541 55.803 0.008 0.000 0.854 451 Q CB -1.826 26.915 28.738 0.006 0.000 1.162 451 Q HN 0.857 nan 8.270 nan 0.000 0.440 452 c N -2.589 116.004 118.600 -0.011 0.000 4.784 452 c HA -0.231 4.340 4.570 0.000 0.000 0.261 452 c C 0.579 174.610 174.090 -0.100 0.000 1.492 452 c CA 0.995 57.297 56.329 -0.045 0.000 1.622 452 c CB -1.496 40.984 42.510 -0.051 0.000 1.855 452 c HN 0.522 nan 8.230 nan 0.000 0.662 453 R N -0.492 119.969 120.500 -0.065 0.000 2.832 453 R HA 0.694 5.034 4.340 0.000 0.000 0.271 453 R C -0.358 175.964 176.300 0.036 0.000 0.996 453 R CA -0.930 55.108 56.100 -0.103 0.000 0.977 453 R CB 0.443 30.712 30.300 -0.050 0.000 1.168 453 R HN 0.417 nan 8.270 nan 0.000 0.482 454 F N 1.790 121.738 119.950 -0.004 0.000 2.456 454 F HA 0.197 4.724 4.527 0.000 0.000 0.358 454 F C 1.323 177.120 175.800 -0.005 0.000 1.095 454 F CA -0.319 57.677 58.000 -0.006 0.000 1.216 454 F CB 0.845 39.840 39.000 -0.008 0.000 1.125 454 F HN 0.034 nan 8.300 nan 0.000 0.549 455 K N 2.352 122.866 120.400 0.191 0.000 2.382 455 K HA 0.138 4.458 4.320 0.000 0.000 0.275 455 K C 0.501 177.146 176.600 0.075 0.000 1.009 455 K CA -0.371 55.973 56.287 0.095 0.000 0.970 455 K CB 0.634 33.167 32.500 0.056 0.000 0.934 455 K HN 0.800 nan 8.250 nan 0.000 0.479 456 G N 1.222 110.055 108.800 0.054 0.000 2.391 456 G HA2 0.194 4.154 3.960 0.000 0.000 0.234 456 G HA3 0.194 4.154 3.960 0.000 0.000 0.234 456 G C -0.014 174.895 174.900 0.015 0.000 1.284 456 G CA -0.392 44.731 45.100 0.038 0.000 0.873 456 G HN 0.719 nan 8.290 nan 0.000 0.549 457 A N 1.188 124.012 122.820 0.006 0.000 2.561 457 A HA 0.527 4.847 4.320 0.000 0.000 0.234 457 A C 1.706 179.283 177.584 -0.012 0.000 1.055 457 A CA 1.351 53.380 52.037 -0.014 0.000 0.756 457 A CB -0.131 18.859 19.000 -0.016 0.000 0.986 457 A HN 2.604 nan 8.150 nan 0.000 0.505 458 G N 1.306 110.093 108.800 -0.020 0.000 2.345 458 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 458 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 458 G C 0.607 175.498 174.900 -0.015 0.000 1.058 458 G CA 0.318 45.407 45.100 -0.017 0.000 0.632 458 G HN 1.359 nan 8.290 nan 0.000 0.508 459 T N 1.904 116.452 114.554 -0.010 0.000 2.933 459 T HA 0.352 4.702 4.350 0.000 0.000 0.306 459 T C 0.369 175.061 174.700 -0.012 0.000 1.045 459 T CA 0.907 63.004 62.100 -0.006 0.000 1.143 459 T CB 1.359 70.229 68.868 0.002 0.000 1.003 459 T HN 0.552 nan 8.240 nan 0.000 0.540 460 E N 0.997 121.191 120.200 -0.009 0.000 2.289 460 E HA 0.197 4.547 4.350 0.000 0.000 0.278 460 E C 0.511 177.105 176.600 -0.010 0.000 1.032 460 E CA -0.792 55.601 56.400 -0.012 0.000 0.854 460 E CB 0.277 29.973 29.700 -0.008 0.000 1.046 460 E HN 0.880 nan 8.360 nan 0.000 0.409 461 c N 3.624 122.214 118.600 -0.017 0.000 3.243 461 c HA 0.547 5.117 4.570 0.000 0.000 0.286 461 c C 0.442 174.526 174.090 -0.011 0.000 1.373 461 c CA -0.840 55.481 56.329 -0.012 0.000 1.749 461 c CB -0.806 41.692 42.510 -0.020 0.000 2.313 461 c HN 0.691 nan 8.230 nan 0.000 0.644 462 R N 0.444 120.937 120.500 -0.012 0.000 3.070 462 R HA 0.512 4.852 4.340 0.000 0.000 0.249 462 R C -0.846 175.452 176.300 -0.003 0.000 1.124 462 R CA 0.300 56.397 56.100 -0.005 0.000 1.111 462 R CB 0.746 31.039 30.300 -0.012 0.000 1.268 462 R HN 0.355 nan 8.270 nan 0.000 0.466 463 A N 2.472 125.298 122.820 0.009 0.000 2.259 463 A HA 0.768 5.088 4.320 0.000 0.000 0.278 463 A C -0.223 177.376 177.584 0.025 0.000 1.107 463 A CA -0.003 52.042 52.037 0.014 0.000 0.828 463 A CB 0.667 19.677 19.000 0.017 0.000 1.111 463 A HN 0.783 nan 8.150 nan 0.000 0.498 464 A N -0.118 122.720 122.820 0.030 0.000 2.309 464 A HA 0.444 4.764 4.320 0.000 0.000 0.290 464 A C 1.098 178.713 177.584 0.052 0.000 1.206 464 A CA -0.004 52.063 52.037 0.050 0.000 0.850 464 A CB 0.024 19.053 19.000 0.047 0.000 1.118 464 A HN 0.874 nan 8.150 nan 0.000 0.523 465 K N 1.964 122.404 120.400 0.068 0.000 2.031 465 K HA -0.052 4.269 4.320 0.000 0.000 0.205 465 K C -0.038 176.589 176.600 0.045 0.000 1.049 465 K CA 1.478 57.799 56.287 0.056 0.000 0.939 465 K CB -0.243 32.297 32.500 0.066 0.000 0.717 465 K HN 0.739 nan 8.250 nan 0.000 0.438 466 D N -0.022 120.409 120.400 0.052 0.000 2.668 466 D HA -0.005 4.635 4.640 0.000 0.000 0.249 466 D C 0.579 176.905 176.300 0.044 0.000 1.150 466 D CA -0.719 53.304 54.000 0.038 0.000 1.090 466 D CB 0.357 41.171 40.800 0.024 0.000 1.244 466 D HN 0.237 nan 8.370 nan 0.000 0.636 467 E N -1.206 119.017 120.200 0.038 0.000 2.385 467 E HA 0.038 4.388 4.350 0.000 0.000 0.194 467 E C 0.626 177.256 176.600 0.051 0.000 1.013 467 E CA 0.176 56.601 56.400 0.042 0.000 0.866 467 E CB -0.230 29.492 29.700 0.037 0.000 0.832 467 E HN 0.299 nan 8.360 nan 0.000 0.500 468 c N 1.484 120.114 118.600 0.050 0.000 2.754 468 c HA 0.213 4.783 4.570 0.000 0.000 0.276 468 c C 0.355 174.512 174.090 0.111 0.000 1.264 468 c CA -0.539 55.823 56.329 0.054 0.000 1.700 468 c CB -1.204 41.310 42.510 0.008 0.000 1.885 468 c HN 0.373 nan 8.230 nan 0.000 0.607 469 D N 0.523 121.006 120.400 0.139 0.000 2.228 469 D HA 0.476 5.116 4.640 0.000 0.000 0.247 469 D C -0.599 175.787 176.300 0.144 0.000 0.995 469 D CA -0.153 53.994 54.000 0.244 0.000 0.903 469 D CB 0.908 41.835 40.800 0.212 0.000 1.205 469 D HN 0.154 nan 8.370 nan 0.000 0.459 470 M N 2.399 122.067 119.600 0.112 0.000 2.393 470 M HA 0.602 5.082 4.480 0.000 0.000 0.316 470 M C -0.879 175.417 176.300 -0.007 0.000 1.087 470 M CA -0.764 54.556 55.300 0.033 0.000 0.937 470 M CB 1.733 34.336 32.600 0.006 0.000 1.668 470 M HN 0.488 nan 8.290 nan 0.000 0.438 471 A N 3.629 126.446 122.820 -0.005 0.000 2.565 471 A HA 0.149 4.470 4.320 0.000 0.000 0.237 471 A C -0.665 176.893 177.584 -0.044 0.000 1.053 471 A CA 0.296 52.324 52.037 -0.016 0.000 0.755 471 A CB -0.154 18.840 19.000 -0.009 0.000 0.980 471 A HN 0.829 nan 8.150 nan 0.000 0.506 472 D N 1.041 121.409 120.400 -0.053 0.000 2.193 472 D HA 0.516 5.157 4.640 0.000 0.000 0.249 472 D C -0.477 175.790 176.300 -0.056 0.000 1.034 472 D CA -0.038 53.916 54.000 -0.075 0.000 0.902 472 D CB 1.813 42.556 40.800 -0.095 0.000 1.182 472 D HN 0.190 nan 8.370 nan 0.000 0.436 473 V N 1.173 121.050 119.914 -0.062 0.000 2.823 473 V HA 0.226 4.346 4.120 0.000 0.000 0.312 473 V C 0.076 176.134 176.094 -0.060 0.000 1.072 473 V CA -0.795 61.474 62.300 -0.051 0.000 0.937 473 V CB 2.343 34.140 31.823 -0.044 0.000 1.013 473 V HN 0.744 nan 8.190 nan 0.000 0.430 474 c N 2.245 120.814 118.600 -0.052 0.000 2.605 474 c HA 0.312 4.882 4.570 0.000 0.000 0.404 474 c C 2.092 176.137 174.090 -0.075 0.000 1.284 474 c CA 0.329 56.618 56.329 -0.067 0.000 2.199 474 c CB 0.747 43.228 42.510 -0.048 0.000 2.647 474 c HN 1.069 nan 8.230 nan 0.000 0.604 475 T N -0.977 113.511 114.554 -0.110 0.000 3.043 475 T HA 0.253 4.603 4.350 0.000 0.000 0.263 475 T C 1.519 176.160 174.700 -0.097 0.000 1.094 475 T CA 1.203 63.239 62.100 -0.106 0.000 1.127 475 T CB -0.099 68.689 68.868 -0.134 0.000 0.905 475 T HN 1.597 nan 8.240 nan 0.000 0.490 476 G N 2.826 111.558 108.800 -0.113 0.000 2.299 476 G HA2 -0.328 3.632 3.960 0.000 0.000 0.237 476 G HA3 -0.328 3.632 3.960 0.000 0.000 0.237 476 G C 0.928 175.786 174.900 -0.070 0.000 1.027 476 G CA 0.163 45.237 45.100 -0.044 0.000 0.619 476 G HN 0.824 nan 8.290 nan 0.000 0.513 477 R N -0.127 120.241 120.500 -0.220 0.000 2.633 477 R HA 0.662 5.002 4.340 0.000 0.000 0.348 477 R C 0.251 176.071 176.300 -0.801 0.000 1.100 477 R CA 0.507 56.449 56.100 -0.265 0.000 1.068 477 R CB 0.613 30.871 30.300 -0.070 0.000 1.351 477 R HN 0.595 nan 8.270 nan 0.000 0.575 478 S N -0.958 113.963 115.700 -1.297 0.000 2.547 478 S HA 0.551 5.021 4.470 0.000 0.000 0.270 478 S C -0.290 173.731 174.600 -0.964 0.000 1.150 478 S CA -0.160 57.359 58.200 -1.135 0.000 0.850 478 S CB 1.809 64.730 63.200 -0.465 0.000 1.118 478 S HN 0.219 nan 8.310 nan 0.000 0.461 479 A N 2.017 124.563 122.820 -0.456 0.000 2.095 479 A HA 0.290 4.611 4.320 0.000 0.000 0.212 479 A C 0.724 178.276 177.584 -0.053 0.000 1.162 479 A CA 0.442 52.454 52.037 -0.041 0.000 0.753 479 A CB -0.503 18.619 19.000 0.203 0.000 0.840 479 A HN 0.865 nan 8.150 nan 0.000 0.468 480 E N -1.393 118.748 120.200 -0.098 0.000 2.369 480 E HA 0.353 4.703 4.350 0.000 0.000 0.255 480 E C -0.729 175.821 176.600 -0.084 0.000 1.172 480 E CA -0.634 55.724 56.400 -0.070 0.000 0.932 480 E CB 0.873 30.530 29.700 -0.071 0.000 1.040 480 E HN 0.138 nan 8.360 nan 0.000 0.454 481 c N 2.401 120.962 118.600 -0.065 0.000 2.814 481 c HA 0.273 4.844 4.570 0.000 0.000 0.269 481 c C -0.179 173.861 174.090 -0.085 0.000 1.090 481 c CA -0.328 55.958 56.329 -0.072 0.000 1.492 481 c CB -0.775 41.706 42.510 -0.049 0.000 1.825 481 c HN 0.713 nan 8.230 nan 0.000 0.442 482 T N 3.517 118.008 114.554 -0.104 0.000 2.908 482 T HA -0.004 4.346 4.350 0.000 0.000 0.301 482 T C 0.027 174.619 174.700 -0.181 0.000 1.019 482 T CA 1.007 63.030 62.100 -0.129 0.000 1.152 482 T CB 0.184 68.974 68.868 -0.130 0.000 0.966 482 T HN 0.773 nan 8.240 nan 0.000 0.540 483 D N 3.389 123.652 120.400 -0.229 0.000 2.483 483 D HA 0.132 4.772 4.640 0.000 0.000 0.220 483 D C 0.409 176.225 176.300 -0.806 0.000 1.173 483 D CA -0.378 53.398 54.000 -0.375 0.000 0.964 483 D CB 0.213 40.870 40.800 -0.238 0.000 1.046 483 D HN 0.319 nan 8.370 nan 0.000 0.517 484 R N 2.406 122.525 120.500 -0.634 0.000 2.577 484 R HA 0.542 4.883 4.340 0.000 0.000 0.269 484 R C -0.159 175.647 176.300 -0.824 0.000 1.084 484 R CA -0.261 55.439 56.100 -0.667 0.000 1.163 484 R CB 0.855 30.977 30.300 -0.296 0.000 1.100 484 R HN 0.309 nan 8.270 nan 0.000 0.547 485 F N -0.987 118.939 119.950 -0.040 0.000 2.814 485 F HA 0.289 4.816 4.527 0.000 0.000 0.353 485 F C 0.297 176.077 175.800 -0.034 0.000 1.177 485 F CA -1.356 56.623 58.000 -0.034 0.000 1.036 485 F CB 0.700 39.674 39.000 -0.042 0.000 1.455 485 F HN 0.093 nan 8.300 nan 0.000 0.520 486 Q N 0.956 120.883 119.800 0.211 0.000 2.354 486 Q HA 0.301 4.641 4.340 0.000 0.000 0.244 486 Q C -0.472 175.569 176.000 0.069 0.000 0.969 486 Q CA -0.363 55.498 55.803 0.096 0.000 0.885 486 Q CB 0.800 29.583 28.738 0.076 0.000 1.241 486 Q HN 0.454 nan 8.270 nan 0.000 0.461 487 R N 1.348 121.861 120.500 0.022 0.000 2.570 487 R HA 0.038 4.378 4.340 0.000 0.000 0.277 487 R C 0.014 176.298 176.300 -0.026 0.000 1.039 487 R CA 0.103 56.194 56.100 -0.015 0.000 1.065 487 R CB 0.053 30.334 30.300 -0.032 0.000 0.964 487 R HN 0.514 nan 8.270 nan 0.000 0.428 488 N N 1.336 119.989 118.700 -0.078 0.000 2.414 488 N HA -0.005 4.735 4.740 0.000 0.000 0.268 488 N C 0.779 176.245 175.510 -0.075 0.000 1.286 488 N CA 0.519 53.515 53.050 -0.090 0.000 0.896 488 N CB 0.591 38.900 38.487 -0.297 0.000 1.093 488 N HN 0.871 nan 8.380 nan 0.000 0.480 489 G N 1.649 110.506 108.800 0.096 0.000 2.901 489 G HA2 -0.226 3.735 3.960 0.000 0.000 0.194 489 G HA3 -0.226 3.735 3.960 0.000 0.000 0.194 489 G C 0.107 174.948 174.900 -0.098 0.000 1.020 489 G CA -0.645 44.484 45.100 0.049 0.000 0.787 489 G HN 0.539 nan 8.290 nan 0.000 0.477 490 Q N 3.154 122.945 119.800 -0.015 0.000 2.269 490 Q HA 0.348 4.689 4.340 0.000 0.000 0.300 490 Q C -1.950 174.073 176.000 0.038 0.000 1.070 490 Q CA -0.904 54.891 55.803 -0.013 0.000 0.957 490 Q CB 0.529 29.283 28.738 0.026 0.000 1.131 490 Q HN 0.360 nan 8.270 nan 0.000 0.377 491 P HA 0.034 nan 4.420 nan 0.000 0.268 491 P C -0.826 176.561 177.300 0.144 0.000 1.204 491 P CA -0.186 63.005 63.100 0.151 0.000 0.768 491 P CB 0.339 32.093 31.700 0.090 0.000 0.842 492 c N 0.716 119.424 118.600 0.179 0.000 3.291 492 c HA 0.582 5.152 4.570 0.000 0.000 0.316 492 c C -0.144 173.993 174.090 0.078 0.000 1.391 492 c CA -0.954 55.438 56.329 0.106 0.000 1.394 492 c CB 1.275 43.842 42.510 0.096 0.000 1.744 492 c HN 0.547 nan 8.230 nan 0.000 0.461 493 K N 1.072 121.501 120.400 0.048 0.000 3.150 493 K HA -0.229 4.091 4.320 0.000 0.000 0.267 493 K C 0.218 176.835 176.600 0.028 0.000 1.028 493 K CA 1.267 57.571 56.287 0.028 0.000 0.753 493 K CB -1.895 30.614 32.500 0.015 0.000 1.288 493 K HN 1.389 nan 8.250 nan 0.000 0.473 494 N N 0.692 119.413 118.700 0.034 0.000 2.740 494 N HA -0.242 4.498 4.740 0.000 0.000 0.248 494 N C -0.762 174.772 175.510 0.040 0.000 1.062 494 N CA 1.509 54.578 53.050 0.032 0.000 0.704 494 N CB -0.927 37.572 38.487 0.020 0.000 0.968 494 N HN 0.604 nan 8.380 nan 0.000 0.547 495 N N -1.723 117.017 118.700 0.066 0.000 2.754 495 N HA -0.188 4.552 4.740 0.000 0.000 0.248 495 N C -0.421 175.111 175.510 0.038 0.000 1.093 495 N CA 1.094 54.200 53.050 0.094 0.000 0.699 495 N CB -1.195 37.344 38.487 0.088 0.000 1.016 495 N HN 0.614 nan 8.380 nan 0.000 0.552 496 N N -0.870 117.832 118.700 0.003 0.000 2.250 496 N HA 0.241 4.982 4.740 0.000 0.000 0.190 496 N C 0.855 176.287 175.510 -0.129 0.000 1.116 496 N CA 1.062 54.079 53.050 -0.056 0.000 0.881 496 N CB 0.961 39.429 38.487 -0.032 0.000 1.006 496 N HN 0.419 nan 8.380 nan 0.000 0.491 497 G N -0.779 107.960 108.800 -0.101 0.000 2.649 497 G HA2 0.579 4.539 3.960 0.000 0.000 0.290 497 G HA3 0.579 4.539 3.960 0.000 0.000 0.290 497 G C -1.996 172.944 174.900 0.067 0.000 1.426 497 G CA -0.551 44.454 45.100 -0.157 0.000 0.794 497 G HN 0.047 nan 8.290 nan 0.000 0.483 498 Y N -0.281 120.048 120.300 0.048 0.000 2.350 498 Y HA 0.339 4.890 4.550 0.001 0.000 0.338 498 Y C 0.746 176.733 175.900 0.144 0.000 0.961 498 Y CA -1.262 56.896 58.100 0.097 0.000 1.100 498 Y CB 1.818 40.354 38.460 0.127 0.000 1.179 498 Y HN 0.545 nan 8.280 nan 0.000 0.454 499 c N 3.044 121.813 118.600 0.281 0.000 2.431 499 c HA -0.165 4.406 4.570 0.000 0.000 0.397 499 c C -0.027 174.234 174.090 0.285 0.000 1.436 499 c CA 0.465 56.913 56.329 0.198 0.000 1.596 499 c CB -1.607 40.970 42.510 0.113 0.000 2.550 499 c HN 0.686 nan 8.230 nan 0.000 0.596 500 Y N 4.257 124.591 120.300 0.058 0.000 2.400 500 Y HA 0.281 4.831 4.550 0.000 0.000 0.335 500 Y C 0.219 176.089 175.900 -0.050 0.000 1.066 500 Y CA -0.720 57.419 58.100 0.065 0.000 1.285 500 Y CB -0.068 38.477 38.460 0.141 0.000 1.103 500 Y HN 0.876 nan 8.280 nan 0.000 0.490 501 N N 3.980 122.433 118.700 -0.411 0.000 2.735 501 N HA -0.197 4.543 4.740 0.000 0.000 0.248 501 N C 0.948 175.983 175.510 -0.793 0.000 1.083 501 N CA 1.670 54.442 53.050 -0.462 0.000 0.703 501 N CB -1.314 36.815 38.487 -0.596 0.000 1.005 501 N HN 1.492 nan 8.380 nan 0.000 0.550 502 G N -1.542 106.804 108.800 -0.756 0.000 2.175 502 G HA2 -0.317 3.643 3.960 0.000 0.000 0.244 502 G HA3 -0.317 3.643 3.960 0.000 0.000 0.244 502 G C -0.014 174.584 174.900 -0.504 0.000 0.982 502 G CA 0.805 45.226 45.100 -1.131 0.000 0.641 502 G HN 0.530 nan 8.290 nan 0.000 0.527 503 K N -1.028 119.201 120.400 -0.284 0.000 2.395 503 K HA 0.645 4.966 4.320 0.000 0.000 0.247 503 K C -0.812 175.794 176.600 0.010 0.000 0.973 503 K CA -0.512 55.708 56.287 -0.111 0.000 0.828 503 K CB 2.355 34.808 32.500 -0.078 0.000 1.272 503 K HN 0.199 nan 8.250 nan 0.000 0.439 504 c N 3.960 122.573 118.600 0.022 0.000 2.566 504 c HA 0.351 4.922 4.570 0.000 0.000 0.300 504 c C -2.379 171.730 174.090 0.032 0.000 1.147 504 c CA -2.144 54.217 56.329 0.053 0.000 1.644 504 c CB -0.653 41.882 42.510 0.042 0.000 1.691 504 c HN 0.470 nan 8.230 nan 0.000 0.440 505 P HA 0.249 nan 4.420 nan 0.000 0.270 505 P C -0.623 176.656 177.300 -0.035 0.000 1.242 505 P CA 0.656 63.757 63.100 0.002 0.000 0.768 505 P CB 0.335 32.040 31.700 0.008 0.000 0.820 506 I N 0.078 120.626 120.570 -0.036 0.000 2.619 506 I HA 0.310 4.480 4.170 0.000 0.000 0.292 506 I C 1.352 177.452 176.117 -0.027 0.000 1.100 506 I CA -1.488 59.783 61.300 -0.048 0.000 1.043 506 I CB 2.051 40.023 38.000 -0.046 0.000 1.239 506 I HN 0.054 nan 8.210 nan 0.000 0.420 507 M N 3.367 122.957 119.600 -0.016 0.000 2.143 507 M HA -0.229 4.251 4.480 0.000 0.000 0.258 507 M C 2.338 178.659 176.300 0.034 0.000 1.071 507 M CA 2.628 57.948 55.300 0.033 0.000 1.088 507 M CB -0.488 32.163 32.600 0.085 0.000 1.360 507 M HN 0.964 nan 8.290 nan 0.000 0.404 508 A N 0.688 123.518 122.820 0.016 0.000 1.884 508 A HA -0.248 4.073 4.320 0.000 0.000 0.219 508 A C 1.835 179.418 177.584 -0.000 0.000 1.197 508 A CA 2.378 54.422 52.037 0.011 0.000 0.637 508 A CB -0.878 18.121 19.000 -0.002 0.000 0.827 508 A HN 0.488 nan 8.150 nan 0.000 0.450 509 D N -1.194 119.199 120.400 -0.012 0.000 2.194 509 D HA -0.077 4.563 4.640 0.000 0.000 0.204 509 D C 2.179 178.459 176.300 -0.034 0.000 0.964 509 D CA 1.044 55.029 54.000 -0.024 0.000 0.846 509 D CB -0.289 40.493 40.800 -0.029 0.000 0.962 509 D HN 0.632 nan 8.370 nan 0.000 0.490 510 Q N 0.153 119.936 119.800 -0.029 0.000 2.061 510 Q HA -0.147 4.194 4.340 0.000 0.000 0.204 510 Q C 2.484 178.453 176.000 -0.051 0.000 0.984 510 Q CA 1.271 57.043 55.803 -0.052 0.000 0.846 510 Q CB -0.117 28.601 28.738 -0.034 0.000 0.902 510 Q HN 0.279 nan 8.270 nan 0.000 0.421 511 c N 0.294 118.906 118.600 0.020 0.000 2.413 511 c HA -0.173 4.398 4.570 0.000 0.000 0.276 511 c C 2.504 176.635 174.090 0.067 0.000 1.236 511 c CA 0.656 57.047 56.329 0.104 0.000 1.735 511 c CB -0.971 41.612 42.510 0.122 0.000 2.031 511 c HN 0.506 nan 8.230 nan 0.000 0.474 512 I N 1.442 122.019 120.570 0.011 0.000 2.264 512 I HA -0.233 3.938 4.170 0.000 0.000 0.248 512 I C 2.703 178.789 176.117 -0.052 0.000 1.111 512 I CA 1.650 62.944 61.300 -0.010 0.000 1.382 512 I CB -0.610 37.374 38.000 -0.026 0.000 1.060 512 I HN 0.310 nan 8.210 nan 0.000 0.418 513 A N 0.928 123.691 122.820 -0.095 0.000 1.898 513 A HA -0.080 4.240 4.320 0.000 0.000 0.216 513 A C 2.290 179.726 177.584 -0.246 0.000 1.181 513 A CA 1.266 53.213 52.037 -0.149 0.000 0.620 513 A CB -0.598 18.308 19.000 -0.157 0.000 0.819 513 A HN 0.370 nan 8.150 nan 0.000 0.442 514 L N -2.597 118.410 121.223 -0.359 0.000 2.095 514 L HA 0.039 4.380 4.340 0.000 0.000 0.204 514 L C 1.156 177.616 176.870 -0.684 0.000 1.080 514 L CA 0.907 55.319 54.840 -0.714 0.000 0.759 514 L CB -0.181 41.262 42.059 -1.028 0.000 0.914 514 L HN 0.416 nan 8.230 nan 0.000 0.439 515 F N -0.244 119.702 119.950 -0.007 0.000 2.735 515 F HA 0.472 4.999 4.527 0.000 0.000 0.304 515 F C 1.201 176.988 175.800 -0.023 0.000 1.119 515 F CA -0.193 57.813 58.000 0.011 0.000 1.280 515 F CB 0.009 39.009 39.000 -0.001 0.000 0.994 515 F HN 0.066 nan 8.300 nan 0.000 0.520 516 G N 1.224 110.060 108.800 0.061 0.000 2.804 516 G HA2 -0.227 3.733 3.960 0.000 0.000 0.230 516 G HA3 -0.227 3.733 3.960 0.000 0.000 0.230 516 G C -2.747 172.165 174.900 0.019 0.000 1.386 516 G CA -1.453 43.662 45.100 0.026 0.000 0.875 516 G HN 0.087 nan 8.290 nan 0.000 0.557 517 P HA 0.313 nan 4.420 nan 0.000 0.269 517 P C 1.335 178.617 177.300 -0.030 0.000 1.211 517 P CA 2.159 65.247 63.100 -0.019 0.000 0.781 517 P CB 0.288 31.976 31.700 -0.021 0.000 0.877 518 G N 0.344 109.113 108.800 -0.051 0.000 2.435 518 G HA2 -0.308 3.653 3.960 0.000 0.000 0.245 518 G HA3 -0.308 3.653 3.960 0.000 0.000 0.245 518 G C 0.508 175.317 174.900 -0.152 0.000 1.073 518 G CA 0.170 45.218 45.100 -0.086 0.000 0.638 518 G HN 0.877 nan 8.290 nan 0.000 0.521 519 A N 1.297 124.052 122.820 -0.108 0.000 2.522 519 A HA 0.569 4.889 4.320 0.000 0.000 0.256 519 A C 0.854 178.336 177.584 -0.169 0.000 1.086 519 A CA 1.732 53.687 52.037 -0.138 0.000 0.763 519 A CB -0.131 18.906 19.000 0.061 0.000 1.024 519 A HN 1.827 nan 8.150 nan 0.000 0.502 520 T N -0.278 114.071 114.554 -0.341 0.000 2.916 520 T HA 0.581 4.931 4.350 0.000 0.000 0.292 520 T C -0.225 174.423 174.700 -0.086 0.000 1.055 520 T CA -0.860 61.105 62.100 -0.225 0.000 1.009 520 T CB 1.052 69.752 68.868 -0.280 0.000 1.118 520 T HN 0.577 nan 8.240 nan 0.000 0.497 521 V N 2.347 122.309 119.914 0.080 0.000 2.599 521 V HA 0.233 4.353 4.120 0.000 0.000 0.300 521 V C 1.253 177.559 176.094 0.354 0.000 1.034 521 V CA -0.213 62.222 62.300 0.226 0.000 1.115 521 V CB 0.805 32.774 31.823 0.243 0.000 0.934 521 V HN 1.106 nan 8.190 nan 0.000 0.485 522 S N 3.045 118.980 115.700 0.391 0.000 2.617 522 S HA 0.220 4.690 4.470 0.000 0.000 0.259 522 S C 0.140 174.959 174.600 0.365 0.000 1.301 522 S CA -0.642 57.790 58.200 0.386 0.000 0.984 522 S CB 0.596 63.913 63.200 0.194 0.000 0.954 522 S HN 0.890 nan 8.310 nan 0.000 0.572 523 Q N 1.205 121.131 119.800 0.210 0.000 2.288 523 Q HA 0.222 4.562 4.340 0.000 0.000 0.254 523 Q C 0.329 176.491 176.000 0.271 0.000 0.932 523 Q CA -0.623 55.293 55.803 0.189 0.000 0.902 523 Q CB 0.542 29.315 28.738 0.058 0.000 1.203 523 Q HN 0.606 nan 8.270 nan 0.000 0.415 524 D N 2.784 123.325 120.400 0.235 0.000 2.569 524 D HA -0.389 4.252 4.640 0.000 0.000 0.191 524 D C 1.712 178.154 176.300 0.237 0.000 1.042 524 D CA 2.507 56.629 54.000 0.203 0.000 0.873 524 D CB -0.500 40.318 40.800 0.031 0.000 0.946 524 D HN 0.823 nan 8.370 nan 0.000 0.467 525 A N 0.857 123.737 122.820 0.100 0.000 1.954 525 A HA -0.313 4.008 4.320 0.000 0.000 0.222 525 A C 2.703 180.287 177.584 0.000 0.000 1.199 525 A CA 2.229 54.280 52.037 0.023 0.000 0.657 525 A CB -1.210 17.787 19.000 -0.006 0.000 0.823 525 A HN 0.482 nan 8.150 nan 0.000 0.463 526 c N -1.919 116.692 118.600 0.019 0.000 2.413 526 c HA -0.140 4.430 4.570 0.000 0.000 0.277 526 c C 2.328 176.111 174.090 -0.511 0.000 1.228 526 c CA 1.022 57.251 56.329 -0.167 0.000 1.731 526 c CB -1.887 40.436 42.510 -0.312 0.000 2.042 526 c HN 0.659 nan 8.230 nan 0.000 0.468 527 F N 0.920 120.634 119.950 -0.393 0.000 2.323 527 F HA -0.197 4.331 4.527 0.000 0.000 0.301 527 F C 2.508 178.205 175.800 -0.172 0.000 1.060 527 F CA 1.173 59.004 58.000 -0.282 0.000 1.398 527 F CB -0.885 38.114 39.000 -0.001 0.000 1.075 527 F HN 0.355 nan 8.300 nan 0.000 0.540 528 Q N -0.580 119.193 119.800 -0.045 0.000 2.297 528 Q HA -0.174 4.166 4.340 0.000 0.000 0.208 528 Q C 2.050 177.951 176.000 -0.165 0.000 0.981 528 Q CA 1.182 56.914 55.803 -0.119 0.000 0.876 528 Q CB -0.674 27.932 28.738 -0.221 0.000 0.921 528 Q HN 0.453 nan 8.270 nan 0.000 0.446 529 F N 1.116 120.969 119.950 -0.163 0.000 2.494 529 F HA -0.112 4.416 4.527 0.000 0.000 0.298 529 F C 1.830 177.635 175.800 0.008 0.000 1.106 529 F CA 0.505 58.475 58.000 -0.050 0.000 1.452 529 F CB -0.067 38.976 39.000 0.071 0.000 1.085 529 F HN 0.140 nan 8.300 nan 0.000 0.569 530 N N 0.204 119.029 118.700 0.208 0.000 2.396 530 N HA -0.062 4.679 4.740 0.000 0.000 0.180 530 N C 1.739 177.305 175.510 0.094 0.000 1.028 530 N CA 0.640 53.799 53.050 0.181 0.000 0.893 530 N CB -0.205 38.422 38.487 0.233 0.000 0.967 530 N HN 0.352 nan 8.380 nan 0.000 0.440 531 R N 1.004 121.531 120.500 0.045 0.000 2.148 531 R HA -0.020 4.320 4.340 0.000 0.000 0.223 531 R C 1.832 178.129 176.300 -0.005 0.000 1.088 531 R CA 0.428 56.536 56.100 0.012 0.000 0.985 531 R CB -0.085 30.201 30.300 -0.023 0.000 0.880 531 R HN 0.389 nan 8.270 nan 0.000 0.451 532 E N 0.536 120.726 120.200 -0.017 0.000 2.147 532 E HA -0.227 4.123 4.350 0.000 0.000 0.199 532 E C 1.104 177.680 176.600 -0.040 0.000 1.005 532 E CA 1.450 57.829 56.400 -0.036 0.000 0.810 532 E CB -0.142 29.539 29.700 -0.032 0.000 0.736 532 E HN 0.470 nan 8.360 nan 0.000 0.460 533 G N 0.748 109.542 108.800 -0.010 0.000 2.189 533 G HA2 -0.312 3.648 3.960 0.000 0.000 0.267 533 G HA3 -0.312 3.648 3.960 0.000 0.000 0.267 533 G C 0.311 175.187 174.900 -0.039 0.000 0.975 533 G CA 0.581 45.690 45.100 0.015 0.000 0.644 533 G HN 0.282 nan 8.290 nan 0.000 0.537 534 N N -0.413 118.215 118.700 -0.120 0.000 2.322 534 N HA 0.181 4.921 4.740 0.000 0.000 0.270 534 N C 1.650 177.070 175.510 -0.150 0.000 1.286 534 N CA -0.055 52.867 53.050 -0.213 0.000 0.948 534 N CB -0.055 38.304 38.487 -0.214 0.000 1.164 534 N HN 0.194 nan 8.380 nan 0.000 0.551 535 H N 0.015 119.066 119.070 -0.032 0.000 2.383 535 H HA -0.258 4.299 4.556 0.001 0.000 0.286 535 H C 1.477 176.886 175.328 0.136 0.000 1.126 535 H CA 2.728 58.799 56.048 0.038 0.000 1.182 535 H CB -0.168 29.608 29.762 0.024 0.000 1.352 535 H HN 0.712 nan 8.280 nan 0.000 0.480 536 Y N -1.453 118.950 120.300 0.173 0.000 2.664 536 Y HA 0.455 5.005 4.550 0.001 0.000 0.278 536 Y C 1.670 177.557 175.900 -0.023 0.000 1.130 536 Y CA 0.098 58.232 58.100 0.056 0.000 1.260 536 Y CB -0.187 38.196 38.460 -0.128 0.000 1.369 536 Y HN 0.000 nan 8.280 nan 0.000 0.499 537 G N 1.746 110.169 108.800 -0.628 0.000 2.444 537 G HA2 0.406 4.367 3.960 0.000 0.000 0.303 537 G HA3 0.406 4.367 3.960 0.000 0.000 0.303 537 G C -1.176 173.727 174.900 0.006 0.000 1.032 537 G CA 0.173 45.149 45.100 -0.206 0.000 1.137 537 G HN 0.572 nan 8.290 nan 0.000 0.430 538 Y N -1.255 119.081 120.300 0.059 0.000 2.871 538 Y HA 0.573 5.123 4.550 0.001 0.000 0.331 538 Y C 0.094 176.042 175.900 0.081 0.000 1.378 538 Y CA -1.391 56.736 58.100 0.046 0.000 1.079 538 Y CB 0.546 39.016 38.460 0.017 0.000 1.441 538 Y HN 0.118 nan 8.280 nan 0.000 0.446 539 c N 0.115 118.945 118.600 0.383 0.000 3.270 539 c HA 0.528 5.098 4.570 0.000 0.000 0.369 539 c C -0.134 174.125 174.090 0.282 0.000 1.326 539 c CA 0.548 57.023 56.329 0.243 0.000 1.846 539 c CB -0.284 42.311 42.510 0.142 0.000 2.534 539 c HN 0.824 nan 8.230 nan 0.000 0.649 540 R N -0.561 120.139 120.500 0.333 0.000 2.753 540 R HA 0.393 4.733 4.340 0.000 0.000 0.272 540 R C -1.987 174.326 176.300 0.022 0.000 1.034 540 R CA -0.711 55.501 56.100 0.187 0.000 0.869 540 R CB 0.695 31.058 30.300 0.105 0.000 1.264 540 R HN -0.032 nan 8.270 nan 0.000 0.481 541 K N 0.419 120.809 120.400 -0.018 0.000 2.118 541 K HA 0.179 4.499 4.320 0.000 0.000 0.254 541 K C 0.045 176.620 176.600 -0.042 0.000 0.961 541 K CA -0.687 55.544 56.287 -0.094 0.000 0.876 541 K CB 1.877 34.321 32.500 -0.094 0.000 1.077 541 K HN 0.640 nan 8.250 nan 0.000 0.440 542 E N 1.308 121.477 120.200 -0.053 0.000 2.132 542 E HA -0.024 4.327 4.350 0.000 0.000 0.193 542 E C 0.592 177.177 176.600 -0.024 0.000 0.951 542 E CA 1.513 57.896 56.400 -0.029 0.000 0.843 542 E CB 0.603 30.284 29.700 -0.032 0.000 0.807 542 E HN 0.584 nan 8.360 nan 0.000 0.467 543 Q N -2.154 117.626 119.800 -0.034 0.000 1.835 543 Q HA 0.236 4.576 4.340 0.000 0.000 0.148 543 Q C 0.862 176.842 176.000 -0.033 0.000 0.545 543 Q CA 0.115 55.904 55.803 -0.024 0.000 0.840 543 Q CB 0.298 29.026 28.738 -0.018 0.000 0.985 543 Q HN 0.059 nan 8.270 nan 0.000 0.258 544 N N 0.071 118.748 118.700 -0.039 0.000 2.239 544 N HA 0.064 4.805 4.740 0.000 0.000 0.208 544 N C 0.132 175.601 175.510 -0.068 0.000 1.200 544 N CA 0.387 53.413 53.050 -0.040 0.000 0.895 544 N CB 1.642 40.115 38.487 -0.022 0.000 1.085 544 N HN 0.093 nan 8.380 nan 0.000 0.500 545 T N 0.676 115.183 114.554 -0.079 0.000 2.902 545 T HA 0.407 4.757 4.350 0.000 0.000 0.280 545 T C -0.758 173.843 174.700 -0.165 0.000 0.992 545 T CA -0.214 61.824 62.100 -0.104 0.000 1.015 545 T CB 0.912 69.736 68.868 -0.072 0.000 1.044 545 T HN -0.114 nan 8.240 nan 0.000 0.520 546 K N 2.905 123.184 120.400 -0.202 0.000 2.463 546 K HA 0.455 4.776 4.320 0.000 0.000 0.255 546 K C -0.697 175.824 176.600 -0.131 0.000 0.942 546 K CA -0.505 55.606 56.287 -0.294 0.000 0.814 546 K CB 1.642 33.774 32.500 -0.614 0.000 1.122 546 K HN 0.532 nan 8.250 nan 0.000 0.425 547 I N 3.475 124.006 120.570 -0.065 0.000 2.389 547 I HA 0.069 4.239 4.170 0.000 0.000 0.295 547 I C 0.809 176.961 176.117 0.059 0.000 1.117 547 I CA -0.272 61.027 61.300 -0.001 0.000 1.317 547 I CB 0.423 38.430 38.000 0.011 0.000 1.431 547 I HN 0.702 nan 8.210 nan 0.000 0.521 548 A N 6.304 129.155 122.820 0.051 0.000 2.536 548 A HA 0.070 4.391 4.320 0.000 0.000 0.234 548 A C 0.499 178.129 177.584 0.077 0.000 1.076 548 A CA -0.245 51.840 52.037 0.081 0.000 0.769 548 A CB 0.067 19.089 19.000 0.036 0.000 1.020 548 A HN 0.820 nan 8.150 nan 0.000 0.508 549 c N 0.655 119.307 118.600 0.087 0.000 2.563 549 c HA 0.507 5.077 4.570 0.000 0.000 0.358 549 c C 0.706 174.820 174.090 0.039 0.000 1.336 549 c CA -0.592 55.779 56.329 0.070 0.000 2.454 549 c CB -0.149 42.412 42.510 0.085 0.000 2.448 549 c HN 0.837 nan 8.230 nan 0.000 0.670 550 E N 0.546 120.762 120.200 0.027 0.000 2.249 550 E HA 0.272 4.622 4.350 0.000 0.000 0.263 550 E C -1.828 174.775 176.600 0.004 0.000 0.950 550 E CA -1.811 54.596 56.400 0.011 0.000 0.827 550 E CB 0.395 30.099 29.700 0.007 0.000 1.220 550 E HN 0.211 nan 8.360 nan 0.000 0.411 551 P HA -0.268 nan 4.420 nan 0.000 0.219 551 P C 1.161 178.451 177.300 -0.017 0.000 1.151 551 P CA 1.933 65.025 63.100 -0.014 0.000 0.850 551 P CB 0.386 32.075 31.700 -0.018 0.000 0.784 552 Q N -1.720 118.071 119.800 -0.016 0.000 2.390 552 Q HA -0.003 4.338 4.340 0.000 0.000 0.216 552 Q C 0.939 176.923 176.000 -0.026 0.000 0.916 552 Q CA 1.247 57.035 55.803 -0.026 0.000 0.911 552 Q CB -1.048 27.675 28.738 -0.025 0.000 1.035 552 Q HN 0.228 nan 8.270 nan 0.000 0.541 553 D N 1.889 122.283 120.400 -0.010 0.000 2.338 553 D HA -0.010 4.630 4.640 0.000 0.000 0.239 553 D C 1.643 177.957 176.300 0.023 0.000 1.095 553 D CA 0.138 54.138 54.000 -0.002 0.000 0.888 553 D CB 0.559 41.366 40.800 0.011 0.000 0.899 553 D HN 0.105 nan 8.370 nan 0.000 0.525 554 V N 1.061 120.989 119.914 0.022 0.000 2.287 554 V HA -0.218 3.903 4.120 0.000 0.000 0.248 554 V C 1.549 177.717 176.094 0.123 0.000 1.053 554 V CA 1.618 63.961 62.300 0.072 0.000 1.027 554 V CB -0.182 31.671 31.823 0.050 0.000 0.646 554 V HN 0.024 nan 8.190 nan 0.000 0.447 555 K N -1.082 119.313 120.400 -0.008 0.000 2.589 555 K HA 0.107 4.427 4.320 0.000 0.000 0.204 555 K C 0.778 177.386 176.600 0.013 0.000 1.029 555 K CA 0.340 56.571 56.287 -0.094 0.000 1.177 555 K CB -0.407 31.861 32.500 -0.387 0.000 0.902 555 K HN 0.520 nan 8.250 nan 0.000 0.501 556 c N -0.869 117.771 118.600 0.066 0.000 3.386 556 c HA 0.230 4.800 4.570 0.000 0.000 0.279 556 c C 1.391 175.526 174.090 0.075 0.000 1.508 556 c CA -0.840 55.512 56.329 0.039 0.000 1.801 556 c CB -0.101 42.403 42.510 -0.010 0.000 2.798 556 c HN 0.620 nan 8.230 nan 0.000 0.605 557 G N 0.573 109.455 108.800 0.136 0.000 3.434 557 G HA2 0.377 4.337 3.960 0.000 0.000 0.192 557 G HA3 0.377 4.337 3.960 0.000 0.000 0.192 557 G C -0.138 174.792 174.900 0.050 0.000 1.704 557 G CA -0.208 44.946 45.100 0.089 0.000 0.936 557 G HN 0.292 nan 8.290 nan 0.000 0.623 558 R N -0.181 120.321 120.500 0.004 0.000 2.442 558 R HA 0.344 4.685 4.340 0.000 0.000 0.291 558 R C -0.427 175.806 176.300 -0.111 0.000 1.069 558 R CA -0.532 55.494 56.100 -0.124 0.000 1.022 558 R CB 0.361 30.523 30.300 -0.231 0.000 0.976 558 R HN 0.251 nan 8.270 nan 0.000 0.443 559 L N 5.837 126.989 121.223 -0.119 0.000 2.360 559 L HA 0.266 4.606 4.340 0.000 0.000 0.276 559 L C -1.353 175.332 176.870 -0.309 0.000 1.121 559 L CA 0.236 55.062 54.840 -0.023 0.000 0.845 559 L CB 0.179 42.269 42.059 0.052 0.000 1.143 559 L HN 0.572 nan 8.230 nan 0.000 0.452 560 Y N 4.512 124.604 120.300 -0.346 0.000 2.331 560 Y HA 0.518 5.068 4.550 0.000 0.000 0.338 560 Y C 0.405 176.212 175.900 -0.155 0.000 0.976 560 Y CA -0.373 57.498 58.100 -0.382 0.000 1.137 560 Y CB 1.182 39.190 38.460 -0.753 0.000 1.172 560 Y HN 0.624 nan 8.280 nan 0.000 0.478 561 c N 3.303 121.922 118.600 0.032 0.000 3.028 561 c HA 0.804 5.374 4.570 0.000 0.000 0.338 561 c C -0.825 173.258 174.090 -0.012 0.000 1.366 561 c CA -1.248 55.108 56.329 0.046 0.000 1.610 561 c CB 1.520 44.082 42.510 0.086 0.000 2.063 561 c HN 0.765 nan 8.230 nan 0.000 0.463 562 F N 0.077 119.920 119.950 -0.178 0.000 2.635 562 F HA 0.684 5.211 4.527 0.000 0.000 0.314 562 F C -3.134 172.577 175.800 -0.148 0.000 1.119 562 F CA -2.070 55.812 58.000 -0.198 0.000 1.000 562 F CB 0.763 39.697 39.000 -0.109 0.000 1.278 562 F HN 0.375 nan 8.300 nan 0.000 0.446 563 P HA 0.171 nan 4.420 nan 0.000 0.275 563 P C -0.464 176.731 177.300 -0.175 0.000 1.227 563 P CA -0.220 62.749 63.100 -0.218 0.000 0.781 563 P CB 1.025 32.666 31.700 -0.097 0.000 0.906 564 N N 0.021 118.591 118.700 -0.216 0.000 2.434 564 N HA -0.032 4.708 4.740 0.000 0.000 0.196 564 N C 0.423 175.944 175.510 0.019 0.000 1.183 564 N CA -0.519 52.482 53.050 -0.081 0.000 0.849 564 N CB 0.023 38.440 38.487 -0.118 0.000 0.992 564 N HN 0.191 nan 8.380 nan 0.000 0.460 565 S N 1.488 117.197 115.700 0.016 0.000 2.516 565 S HA 0.115 4.585 4.470 0.000 0.000 0.282 565 S C -1.277 173.348 174.600 0.042 0.000 1.286 565 S CA -1.364 56.849 58.200 0.020 0.000 1.066 565 S CB 0.927 64.131 63.200 0.008 0.000 0.884 565 S HN 0.086 nan 8.310 nan 0.000 0.491 566 P HA -0.098 nan 4.420 nan 0.000 0.216 566 P C 0.724 178.038 177.300 0.022 0.000 1.150 566 P CA 1.059 64.177 63.100 0.030 0.000 0.843 566 P CB 0.112 31.823 31.700 0.018 0.000 0.787 567 E N -1.173 119.036 120.200 0.015 0.000 2.516 567 E HA -0.063 4.287 4.350 0.000 0.000 0.199 567 E C 0.551 177.155 176.600 0.007 0.000 1.069 567 E CA 0.129 56.533 56.400 0.007 0.000 0.876 567 E CB -1.212 28.489 29.700 0.002 0.000 0.843 567 E HN 0.288 nan 8.360 nan 0.000 0.530 568 N N 1.130 119.843 118.700 0.022 0.000 2.492 568 N HA -0.024 4.717 4.740 0.000 0.000 0.262 568 N C 0.194 175.706 175.510 0.003 0.000 1.202 568 N CA 0.465 53.529 53.050 0.025 0.000 0.926 568 N CB 0.508 39.045 38.487 0.083 0.000 1.078 568 N HN -0.137 nan 8.380 nan 0.000 0.454 569 K N 1.310 121.700 120.400 -0.017 0.000 2.477 569 K HA 0.239 4.559 4.320 0.000 0.000 0.208 569 K C -0.735 175.834 176.600 -0.052 0.000 1.117 569 K CA -0.306 55.961 56.287 -0.034 0.000 1.039 569 K CB 0.431 32.913 32.500 -0.029 0.000 0.937 569 K HN 0.512 nan 8.250 nan 0.000 0.570 570 N N 1.835 120.502 118.700 -0.056 0.000 2.354 570 N HA 0.159 4.899 4.740 0.000 0.000 0.287 570 N C -2.161 173.289 175.510 -0.100 0.000 1.016 570 N CA -1.375 51.630 53.050 -0.076 0.000 0.871 570 N CB 1.976 40.416 38.487 -0.079 0.000 1.299 570 N HN -0.133 nan 8.380 nan 0.000 0.482 571 P HA 0.081 nan 4.420 nan 0.000 0.222 571 P C -0.093 177.146 177.300 -0.102 0.000 1.157 571 P CA 0.422 63.377 63.100 -0.241 0.000 0.816 571 P CB 0.433 31.994 31.700 -0.233 0.000 0.813 572 c N 2.534 121.092 118.600 -0.071 0.000 2.239 572 c HA 0.484 5.054 4.570 0.000 0.000 0.325 572 c C 0.205 174.245 174.090 -0.083 0.000 1.231 572 c CA -0.743 55.567 56.329 -0.032 0.000 1.652 572 c CB -0.861 41.599 42.510 -0.083 0.000 2.284 572 c HN 0.215 nan 8.230 nan 0.000 0.499 573 N N 2.580 121.227 118.700 -0.088 0.000 2.272 573 N HA 0.628 5.369 4.740 0.000 0.000 0.305 573 N C -1.136 174.231 175.510 -0.239 0.000 1.103 573 N CA -0.506 52.409 53.050 -0.225 0.000 0.791 573 N CB 2.154 40.422 38.487 -0.364 0.000 1.356 573 N HN 0.363 nan 8.380 nan 0.000 0.486 574 I N 1.242 121.691 120.570 -0.202 0.000 2.730 574 I HA 0.276 4.446 4.170 0.000 0.000 0.298 574 I C -0.890 175.364 176.117 0.229 0.000 1.089 574 I CA -0.683 60.565 61.300 -0.087 0.000 1.041 574 I CB 1.865 39.656 38.000 -0.348 0.000 1.235 574 I HN 0.502 nan 8.210 nan 0.000 0.423 575 Y N 5.789 126.216 120.300 0.211 0.000 2.353 575 Y HA 0.451 5.002 4.550 0.000 0.000 0.340 575 Y C -1.460 174.478 175.900 0.063 0.000 0.972 575 Y CA -0.423 57.736 58.100 0.098 0.000 1.157 575 Y CB 1.009 39.336 38.460 -0.222 0.000 1.157 575 Y HN 0.501 nan 8.280 nan 0.000 0.495 576 Y N 4.638 124.852 120.300 -0.143 0.000 2.406 576 Y HA 0.472 5.023 4.550 0.000 0.000 0.340 576 Y C -1.211 174.628 175.900 -0.102 0.000 0.975 576 Y CA -0.848 57.225 58.100 -0.045 0.000 1.056 576 Y CB 1.898 40.328 38.460 -0.050 0.000 1.210 576 Y HN 0.489 nan 8.280 nan 0.000 0.448 577 S N 8.411 123.655 115.700 -0.759 0.000 2.601 577 S HA 0.356 4.826 4.470 0.000 0.000 0.312 577 S C -1.926 172.187 174.600 -0.811 0.000 1.107 577 S CA -1.855 56.000 58.200 -0.575 0.000 1.129 577 S CB 0.933 63.997 63.200 -0.226 0.000 0.982 577 S HN 0.649 nan 8.310 nan 0.000 0.469 578 P HA -0.159 nan 4.420 nan 0.000 0.219 578 P C 0.756 177.964 177.300 -0.154 0.000 1.146 578 P CA 1.234 64.188 63.100 -0.242 0.000 0.808 578 P CB -0.014 31.692 31.700 0.011 0.000 0.779 579 N N -0.342 118.259 118.700 -0.165 0.000 2.051 579 N HA -0.082 4.658 4.740 0.000 0.000 0.192 579 N C 0.829 176.278 175.510 -0.102 0.000 1.049 579 N CA 0.741 53.725 53.050 -0.110 0.000 0.845 579 N CB -0.207 38.215 38.487 -0.108 0.000 1.031 579 N HN 0.131 nan 8.380 nan 0.000 0.425 580 D N 0.219 120.542 120.400 -0.128 0.000 2.471 580 D HA 0.105 4.745 4.640 0.000 0.000 0.245 580 D C -0.171 176.061 176.300 -0.114 0.000 1.116 580 D CA -0.095 53.853 54.000 -0.087 0.000 0.853 580 D CB 1.428 42.189 40.800 -0.065 0.000 1.123 580 D HN 0.116 nan 8.370 nan 0.000 0.540 581 E N 1.902 122.078 120.200 -0.040 0.000 2.274 581 E HA -0.098 4.252 4.350 0.000 0.000 0.194 581 E C 0.708 177.385 176.600 0.129 0.000 0.996 581 E CA 0.480 56.912 56.400 0.053 0.000 0.840 581 E CB 0.491 30.348 29.700 0.262 0.000 0.772 581 E HN 0.510 nan 8.360 nan 0.000 0.491 582 D N 1.346 121.800 120.400 0.089 0.000 2.178 582 D HA -0.118 4.523 4.640 0.000 0.000 0.201 582 D C 0.922 177.238 176.300 0.027 0.000 0.980 582 D CA 0.878 54.928 54.000 0.084 0.000 0.842 582 D CB -0.039 40.793 40.800 0.054 0.000 0.948 582 D HN -0.061 nan 8.370 nan 0.000 0.472 583 K N 0.168 120.564 120.400 -0.007 0.000 2.436 583 K HA 0.201 4.522 4.320 0.000 0.000 0.282 583 K C 0.905 177.501 176.600 -0.006 0.000 1.044 583 K CA 0.863 57.125 56.287 -0.042 0.000 1.028 583 K CB 0.387 32.873 32.500 -0.023 0.000 0.919 583 K HN 0.137 nan 8.250 nan 0.000 0.474 584 G N 3.401 112.139 108.800 -0.104 0.000 2.307 584 G HA2 -0.204 3.756 3.960 0.000 0.000 0.210 584 G HA3 -0.204 3.756 3.960 0.000 0.000 0.210 584 G C 0.080 174.937 174.900 -0.071 0.000 1.005 584 G CA -0.041 45.017 45.100 -0.070 0.000 0.634 584 G HN 0.474 nan 8.290 nan 0.000 0.496 585 M N 1.131 120.699 119.600 -0.052 0.000 2.113 585 M HA 0.419 4.899 4.480 0.000 0.000 0.288 585 M C 1.260 177.539 176.300 -0.035 0.000 1.225 585 M CA -0.152 55.120 55.300 -0.048 0.000 1.148 585 M CB 0.338 32.926 32.600 -0.020 0.000 1.388 585 M HN 0.012 nan 8.290 nan 0.000 0.469 586 V N 2.040 121.953 119.914 -0.003 0.000 2.715 586 V HA 0.122 4.242 4.120 0.000 0.000 0.299 586 V C 0.553 176.627 176.094 -0.032 0.000 1.054 586 V CA -0.492 61.809 62.300 0.001 0.000 1.077 586 V CB 0.458 32.302 31.823 0.035 0.000 0.972 586 V HN 0.563 nan 8.190 nan 0.000 0.484 587 L N 5.846 127.039 121.223 -0.050 0.000 2.426 587 L HA 0.282 4.623 4.340 0.000 0.000 0.271 587 L C -2.169 174.624 176.870 -0.129 0.000 1.169 587 L CA -1.511 53.292 54.840 -0.063 0.000 0.836 587 L CB 0.547 42.577 42.059 -0.048 0.000 1.112 587 L HN 0.434 nan 8.230 nan 0.000 0.465 588 P HA 0.042 nan 4.420 nan 0.000 0.267 588 P C 0.706 177.522 177.300 -0.807 0.000 1.200 588 P CA 0.602 63.487 63.100 -0.359 0.000 0.772 588 P CB 0.764 32.347 31.700 -0.194 0.000 0.855 589 G N 1.320 109.612 108.800 -0.846 0.000 2.212 589 G HA2 -0.249 3.711 3.960 0.000 0.000 0.266 589 G HA3 -0.249 3.711 3.960 0.000 0.000 0.266 589 G C 0.345 175.040 174.900 -0.341 0.000 0.978 589 G CA 0.247 44.888 45.100 -0.764 0.000 0.632 589 G HN 0.599 nan 8.290 nan 0.000 0.537 590 T N 1.504 115.886 114.554 -0.288 0.000 2.853 590 T HA 0.305 4.655 4.350 0.000 0.000 0.298 590 T C 0.715 175.285 174.700 -0.216 0.000 0.978 590 T CA 0.492 62.482 62.100 -0.182 0.000 1.152 590 T CB 1.079 69.868 68.868 -0.131 0.000 0.914 590 T HN 0.472 nan 8.240 nan 0.000 0.539 591 K N 3.679 123.938 120.400 -0.236 0.000 2.366 591 K HA 0.008 4.328 4.320 0.000 0.000 0.279 591 K C 1.219 177.664 176.600 -0.259 0.000 1.098 591 K CA -0.456 55.629 56.287 -0.337 0.000 1.087 591 K CB -0.444 31.758 32.500 -0.497 0.000 0.901 591 K HN 0.845 nan 8.250 nan 0.000 0.463 592 c N 3.021 121.482 118.600 -0.232 0.000 4.332 592 c HA 0.387 4.957 4.570 0.000 0.000 0.287 592 c C 1.663 175.639 174.090 -0.189 0.000 1.377 592 c CA 0.304 56.514 56.329 -0.198 0.000 1.723 592 c CB -1.247 41.163 42.510 -0.167 0.000 2.124 592 c HN 0.817 nan 8.230 nan 0.000 0.554 593 A N 1.199 123.929 122.820 -0.151 0.000 2.372 593 A HA 0.321 4.641 4.320 0.000 0.000 0.271 593 A C 1.311 178.831 177.584 -0.107 0.000 1.470 593 A CA 0.955 52.923 52.037 -0.114 0.000 0.827 593 A CB -0.539 18.416 19.000 -0.075 0.000 1.405 593 A HN 0.665 nan 8.150 nan 0.000 0.536 594 D N -0.562 119.807 120.400 -0.052 0.000 2.120 594 D HA -0.108 4.532 4.640 0.000 0.000 0.216 594 D C 0.932 177.274 176.300 0.070 0.000 0.999 594 D CA 1.417 55.410 54.000 -0.011 0.000 0.903 594 D CB -0.144 40.669 40.800 0.023 0.000 1.104 594 D HN 0.441 nan 8.370 nan 0.000 0.466 595 R N 0.048 120.646 120.500 0.164 0.000 3.782 595 R HA 0.323 4.664 4.340 0.000 0.000 0.291 595 R C -0.195 176.272 176.300 0.279 0.000 1.539 595 R CA -0.022 56.293 56.100 0.358 0.000 1.345 595 R CB 0.355 30.763 30.300 0.179 0.000 1.408 595 R HN 0.114 nan 8.270 nan 0.000 0.654 596 K N -0.121 120.385 120.400 0.176 0.000 2.509 596 K HA 0.742 5.062 4.320 0.000 0.000 0.266 596 K C -1.232 175.310 176.600 -0.097 0.000 0.987 596 K CA -0.919 55.388 56.287 0.034 0.000 0.868 596 K CB 2.420 34.905 32.500 -0.025 0.000 1.421 596 K HN 0.114 nan 8.250 nan 0.000 0.444 597 A N 0.386 123.058 122.820 -0.248 0.000 2.569 597 A HA 0.583 4.903 4.320 0.000 0.000 0.290 597 A C -1.104 176.254 177.584 -0.377 0.000 1.136 597 A CA -0.693 51.120 52.037 -0.372 0.000 0.710 597 A CB 1.055 19.718 19.000 -0.561 0.000 1.303 597 A HN 0.770 nan 8.150 nan 0.000 0.413 598 c N 1.058 119.462 118.600 -0.326 0.000 2.566 598 c HA 0.506 5.077 4.570 0.000 0.000 0.393 598 c C 1.867 175.801 174.090 -0.261 0.000 1.309 598 c CA 0.445 56.633 56.329 -0.236 0.000 1.801 598 c CB -0.162 42.245 42.510 -0.170 0.000 2.493 598 c HN 0.972 nan 8.230 nan 0.000 0.575 599 S N 2.193 117.798 115.700 -0.159 0.000 2.431 599 S HA 0.127 4.598 4.470 0.000 0.000 0.210 599 S C 0.702 175.297 174.600 -0.008 0.000 1.013 599 S CA 0.647 58.810 58.200 -0.063 0.000 0.920 599 S CB 0.086 63.287 63.200 0.003 0.000 0.882 599 S HN 0.845 nan 8.310 nan 0.000 0.567 600 N N 0.775 119.478 118.700 0.005 0.000 2.703 600 N HA 0.316 5.056 4.740 0.000 0.000 0.283 600 N C 0.114 175.642 175.510 0.030 0.000 1.851 600 N CA 0.498 53.565 53.050 0.028 0.000 0.826 600 N CB 0.737 39.249 38.487 0.042 0.000 1.239 600 N HN 0.605 nan 8.380 nan 0.000 0.495 601 G N 1.184 109.998 108.800 0.023 0.000 2.153 601 G HA2 -0.285 3.676 3.960 0.000 0.000 0.252 601 G HA3 -0.285 3.676 3.960 0.000 0.000 0.252 601 G C -0.177 174.739 174.900 0.025 0.000 0.994 601 G CA 0.215 45.340 45.100 0.042 0.000 0.698 601 G HN 0.484 nan 8.290 nan 0.000 0.521 602 Q N -1.471 118.327 119.800 -0.003 0.000 2.359 602 Q HA 0.501 4.841 4.340 0.000 0.000 0.274 602 Q C -0.431 175.539 176.000 -0.050 0.000 1.074 602 Q CA -0.725 55.069 55.803 -0.014 0.000 0.810 602 Q CB 2.401 31.138 28.738 -0.002 0.000 1.342 602 Q HN 0.377 nan 8.270 nan 0.000 0.427 603 c N 3.657 122.225 118.600 -0.054 0.000 2.262 603 c HA 0.403 4.974 4.570 0.000 0.000 0.413 603 c C 0.162 174.208 174.090 -0.072 0.000 1.019 603 c CA -0.247 56.031 56.329 -0.085 0.000 1.320 603 c CB -1.544 40.918 42.510 -0.080 0.000 1.657 603 c HN 0.524 nan 8.230 nan 0.000 0.510 604 V N 5.173 125.035 119.914 -0.086 0.000 2.953 604 V HA 0.260 4.381 4.120 0.000 0.000 0.304 604 V C 0.600 176.663 176.094 -0.052 0.000 1.073 604 V CA -0.336 61.935 62.300 -0.048 0.000 1.064 604 V CB 0.796 32.608 31.823 -0.018 0.000 1.047 604 V HN 0.592 nan 8.190 nan 0.000 0.478 605 D N 0.847 121.253 120.400 0.009 0.000 2.423 605 D HA 0.021 4.662 4.640 0.000 0.000 0.238 605 D C 0.797 177.158 176.300 0.101 0.000 1.142 605 D CA 0.145 54.172 54.000 0.045 0.000 0.884 605 D CB 1.954 42.786 40.800 0.054 0.000 1.199 605 D HN 0.353 nan 8.370 nan 0.000 0.438 606 V N 2.511 122.512 119.914 0.144 0.000 2.951 606 V HA -0.177 3.944 4.120 0.000 0.000 0.255 606 V C 2.288 178.520 176.094 0.231 0.000 1.088 606 V CA 2.137 64.610 62.300 0.289 0.000 1.109 606 V CB -0.312 31.656 31.823 0.243 0.000 0.724 606 V HN 0.753 nan 8.190 nan 0.000 0.471 607 T N -2.374 112.249 114.554 0.116 0.000 2.867 607 T HA -0.063 4.287 4.350 0.000 0.000 0.268 607 T C 1.057 175.803 174.700 0.077 0.000 1.057 607 T CA 1.222 63.360 62.100 0.063 0.000 1.136 607 T CB -0.724 68.165 68.868 0.034 0.000 0.874 607 T HN 0.459 nan 8.240 nan 0.000 0.466 608 T N 4.804 119.429 114.554 0.118 0.000 2.869 608 T HA 0.346 4.696 4.350 0.000 0.000 0.295 608 T C -2.518 172.264 174.700 0.137 0.000 0.987 608 T CA -1.194 60.970 62.100 0.107 0.000 1.109 608 T CB 1.160 70.091 68.868 0.106 0.000 0.932 608 T HN 0.241 nan 8.240 nan 0.000 0.518 609 P HA 0.045 nan 4.420 nan 0.000 0.257 609 P C -0.961 176.377 177.300 0.062 0.000 1.227 609 P CA -0.051 63.050 63.100 0.000 0.000 0.981 609 P CB -0.412 31.284 31.700 -0.008 0.000 1.044 610 Y N 0.000 120.346 120.300 0.077 0.000 2.660 610 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 610 Y CA 0.000 58.158 58.100 0.096 0.000 1.940 610 Y CB 0.000 38.510 38.460 0.084 0.000 1.050 610 Y HN 0.000 nan 8.280 nan 0.000 0.758