REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2dw1_1_B DATA FIRST_RESID 195 DATA SEQUENCE NPFRFVELVL VVDKAMVTKN NGDLDKIKTR MYEIVNTVNE IYRYMYIHVA DATA SEQUENCE LVGLEIWSNE DKITVKPEAG YTLNAFGEWR KTDLLTRKKH DNAQLLTAID DATA SEQUENCE LDRVIGLAYV GSMcHPKRST GIIQDYSEIN LVVAVIMAHE MGHNLGINHD DATA SEQUENCE SGYcScGDYA cIMRPEISPE PSTFFSNcSY FECWDFIMNH NPEcILNEPL DATA SEQUENCE GTDIISPPVc GNELLEVGEE cDcGTPENcQ NEccDAATcK LKSGSQcGHG DATA SEQUENCE DccEQcKFSK SGTEcRASMS EcDPAEHcTG QSSEcPADVF HKNGQPcLDN DATA SEQUENCE YGYcYNGNcP IMYHQcYDLF GADVYEAEDS cFERNQKGNY YGYcRKENGN DATA SEQUENCE KIPcAPEDVK cGRLYcKDNS PGQNNPcKMF YSNEDEHKGM VLPGTKcADG DATA SEQUENCE KVcSNGHcVD VATAY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 195 N HA 0.000 nan 4.740 nan 0.000 0.220 195 N C 0.000 175.577 175.510 0.111 0.000 1.280 195 N CA 0.000 53.131 53.050 0.135 0.000 0.885 195 N CB 0.000 38.623 38.487 0.227 0.000 1.341 196 P HA 0.180 nan 4.420 nan 0.000 0.217 196 P C -0.170 177.109 177.300 -0.034 0.000 1.154 196 P CA 0.747 63.779 63.100 -0.113 0.000 0.841 196 P CB -0.054 31.428 31.700 -0.364 0.000 0.788 197 F N 1.172 121.113 119.950 -0.016 0.000 2.553 197 F HA 0.085 4.612 4.527 -0.000 0.000 0.356 197 F C 1.714 177.378 175.800 -0.226 0.000 1.142 197 F CA 0.303 58.200 58.000 -0.171 0.000 1.322 197 F CB 0.321 38.993 39.000 -0.547 0.000 1.126 197 F HN -0.215 nan 8.300 nan 0.000 0.599 198 R N 1.789 122.222 120.500 -0.112 0.000 2.758 198 R HA 0.571 4.911 4.340 -0.000 0.000 0.265 198 R C -1.497 174.612 176.300 -0.319 0.000 1.016 198 R CA -0.981 55.080 56.100 -0.066 0.000 1.040 198 R CB 1.415 31.677 30.300 -0.064 0.000 1.152 198 R HN 0.452 nan 8.270 nan 0.000 0.503 199 F N -0.372 119.652 119.950 0.123 0.000 2.539 199 F HA 0.323 4.850 4.527 -0.000 0.000 0.318 199 F C -0.106 175.735 175.800 0.069 0.000 1.135 199 F CA -0.888 57.189 58.000 0.130 0.000 0.915 199 F CB 1.941 41.023 39.000 0.138 0.000 1.176 199 F HN -0.049 nan 8.300 nan 0.000 0.440 200 V N 2.882 122.916 119.914 0.200 0.000 2.294 200 V HA 0.230 4.350 4.120 -0.000 0.000 0.272 200 V C -0.214 175.965 176.094 0.141 0.000 1.027 200 V CA -0.833 61.534 62.300 0.113 0.000 0.823 200 V CB 0.899 32.721 31.823 -0.001 0.000 1.030 200 V HN 0.678 nan 8.190 nan 0.000 0.457 201 E N 4.253 124.540 120.200 0.145 0.000 2.003 201 E HA 0.240 4.590 4.350 -0.000 0.000 0.279 201 E C -0.516 176.178 176.600 0.157 0.000 1.132 201 E CA -0.391 56.093 56.400 0.140 0.000 0.888 201 E CB 1.165 30.942 29.700 0.128 0.000 1.056 201 E HN 0.457 nan 8.360 nan 0.000 0.399 202 L N 3.982 125.285 121.223 0.133 0.000 2.325 202 L HA 0.332 4.672 4.340 -0.000 0.000 0.279 202 L C -0.965 175.967 176.870 0.104 0.000 1.054 202 L CA -0.580 54.342 54.840 0.137 0.000 0.804 202 L CB 1.481 43.606 42.059 0.110 0.000 1.200 202 L HN 0.168 nan 8.230 nan 0.000 0.436 203 V N 6.294 126.265 119.914 0.094 0.000 2.487 203 V HA 0.428 4.548 4.120 -0.000 0.000 0.298 203 V C -0.052 176.086 176.094 0.072 0.000 1.028 203 V CA -0.594 61.706 62.300 0.000 0.000 0.860 203 V CB 1.557 33.226 31.823 -0.257 0.000 0.991 203 V HN 0.633 nan 8.190 nan 0.000 0.427 204 L N 5.020 126.272 121.223 0.049 0.000 2.325 204 L HA 0.678 5.018 4.340 -0.000 0.000 0.279 204 L C -0.712 176.150 176.870 -0.014 0.000 1.054 204 L CA -0.712 54.145 54.840 0.030 0.000 0.804 204 L CB 2.023 44.080 42.059 -0.005 0.000 1.200 204 L HN 0.358 nan 8.230 nan 0.000 0.436 205 V N 3.791 123.662 119.914 -0.072 0.000 2.487 205 V HA 0.375 4.495 4.120 -0.000 0.000 0.298 205 V C -0.245 175.582 176.094 -0.445 0.000 1.028 205 V CA -0.641 61.497 62.300 -0.271 0.000 0.860 205 V CB 2.202 33.904 31.823 -0.202 0.000 0.991 205 V HN 0.384 nan 8.190 nan 0.000 0.427 206 V N 5.001 124.626 119.914 -0.481 0.000 2.370 206 V HA 0.359 4.479 4.120 -0.000 0.000 0.283 206 V C -0.059 175.785 176.094 -0.416 0.000 1.023 206 V CA -0.712 61.366 62.300 -0.370 0.000 0.857 206 V CB 1.744 33.438 31.823 -0.215 0.000 0.985 206 V HN 1.030 nan 8.190 nan 0.000 0.443 207 D N 4.219 124.440 120.400 -0.298 0.000 2.358 207 D HA 0.046 4.686 4.640 -0.000 0.000 0.244 207 D C 1.033 177.363 176.300 0.050 0.000 1.163 207 D CA -0.501 53.467 54.000 -0.053 0.000 0.945 207 D CB 1.215 42.018 40.800 0.004 0.000 1.152 207 D HN 0.422 nan 8.370 nan 0.000 0.451 208 K N 0.528 121.022 120.400 0.156 0.000 2.044 208 K HA -0.221 4.099 4.320 -0.000 0.000 0.210 208 K C 2.012 178.639 176.600 0.045 0.000 1.049 208 K CA 1.614 57.962 56.287 0.102 0.000 0.927 208 K CB -0.509 32.052 32.500 0.102 0.000 0.713 208 K HN 0.518 nan 8.250 nan 0.000 0.443 209 A N 1.258 124.099 122.820 0.035 0.000 1.903 209 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 209 A C 2.160 179.741 177.584 -0.005 0.000 1.191 209 A CA 1.951 53.995 52.037 0.011 0.000 0.638 209 A CB -0.542 18.462 19.000 0.007 0.000 0.823 209 A HN 0.350 nan 8.150 nan 0.000 0.451 210 M N -0.558 119.031 119.600 -0.019 0.000 2.149 210 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 210 M C 2.227 178.510 176.300 -0.028 0.000 1.064 210 M CA 1.371 56.649 55.300 -0.036 0.000 1.102 210 M CB -1.154 31.407 32.600 -0.065 0.000 1.369 210 M HN 0.289 nan 8.290 nan 0.000 0.408 211 V N -0.222 119.683 119.914 -0.014 0.000 2.295 211 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 211 V C 2.325 178.416 176.094 -0.005 0.000 1.049 211 V CA 2.168 64.464 62.300 -0.007 0.000 1.024 211 V CB -1.220 30.611 31.823 0.014 0.000 0.648 211 V HN 0.460 nan 8.190 nan 0.000 0.447 212 T N -0.548 114.006 114.554 0.000 0.000 2.788 212 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 212 T C 1.935 176.630 174.700 -0.008 0.000 1.044 212 T CA 1.669 63.768 62.100 -0.001 0.000 1.139 212 T CB -0.220 68.649 68.868 0.003 0.000 0.867 212 T HN 0.433 nan 8.240 nan 0.000 0.454 213 K N 1.210 121.602 120.400 -0.013 0.000 2.152 213 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 213 K C 1.340 177.927 176.600 -0.021 0.000 1.048 213 K CA 1.016 57.292 56.287 -0.019 0.000 0.933 213 K CB 0.007 32.492 32.500 -0.024 0.000 0.721 213 K HN 0.228 nan 8.250 nan 0.000 0.447 214 N N 1.336 120.023 118.700 -0.022 0.000 2.295 214 N HA -0.052 4.688 4.740 -0.000 0.000 0.221 214 N C -0.446 175.054 175.510 -0.017 0.000 1.129 214 N CA 0.094 53.130 53.050 -0.023 0.000 0.836 214 N CB 0.337 38.806 38.487 -0.030 0.000 1.040 214 N HN 0.207 nan 8.380 nan 0.000 0.494 215 N N 0.880 119.572 118.700 -0.012 0.000 2.721 215 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 215 N C 0.826 176.333 175.510 -0.005 0.000 1.072 215 N CA 1.051 54.096 53.050 -0.008 0.000 0.710 215 N CB -1.349 37.133 38.487 -0.009 0.000 0.993 215 N HN 0.534 nan 8.380 nan 0.000 0.547 216 G N -0.700 108.097 108.800 -0.005 0.000 2.175 216 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.265 216 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.265 216 G C -0.205 174.693 174.900 -0.003 0.000 0.979 216 G CA 0.396 45.496 45.100 -0.001 0.000 0.663 216 G HN 0.735 nan 8.290 nan 0.000 0.533 217 D N 0.591 120.985 120.400 -0.009 0.000 2.416 217 D HA 0.337 4.976 4.640 -0.000 0.000 0.240 217 D C 1.715 178.003 176.300 -0.019 0.000 1.250 217 D CA -0.471 53.523 54.000 -0.011 0.000 0.967 217 D CB 0.329 41.121 40.800 -0.013 0.000 1.059 217 D HN 0.041 nan 8.370 nan 0.000 0.512 218 L N 3.411 124.626 121.223 -0.014 0.000 2.046 218 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 218 L C 1.963 178.812 176.870 -0.036 0.000 1.077 218 L CA 1.415 56.241 54.840 -0.024 0.000 0.747 218 L CB -0.590 41.465 42.059 -0.007 0.000 0.896 218 L HN 0.417 nan 8.230 nan 0.000 0.432 219 D N -0.707 119.683 120.400 -0.017 0.000 2.190 219 D HA -0.229 4.411 4.640 -0.000 0.000 0.200 219 D C 2.125 178.402 176.300 -0.038 0.000 0.992 219 D CA 1.328 55.321 54.000 -0.011 0.000 0.854 219 D CB 0.146 40.952 40.800 0.011 0.000 0.936 219 D HN 0.211 nan 8.370 nan 0.000 0.462 220 K N -0.256 120.120 120.400 -0.039 0.000 2.097 220 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 220 K C 2.018 178.566 176.600 -0.086 0.000 1.050 220 K CA 0.617 56.874 56.287 -0.049 0.000 0.938 220 K CB 0.113 32.591 32.500 -0.036 0.000 0.718 220 K HN 0.252 nan 8.250 nan 0.000 0.442 221 I N 1.695 122.207 120.570 -0.097 0.000 2.110 221 I HA -0.271 3.899 4.170 -0.000 0.000 0.236 221 I C 1.978 177.958 176.117 -0.228 0.000 1.068 221 I CA 1.581 62.803 61.300 -0.130 0.000 1.333 221 I CB -0.963 36.970 38.000 -0.112 0.000 1.054 221 I HN 0.143 nan 8.210 nan 0.000 0.402 222 K N 0.459 120.691 120.400 -0.280 0.000 2.034 222 K HA -0.212 4.108 4.320 -0.000 0.000 0.214 222 K C 2.119 178.150 176.600 -0.948 0.000 1.051 222 K CA 2.344 58.273 56.287 -0.596 0.000 0.931 222 K CB -0.532 31.744 32.500 -0.373 0.000 0.715 222 K HN 0.303 nan 8.250 nan 0.000 0.446 223 T N 0.564 114.876 114.554 -0.403 0.000 2.607 223 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 223 T C 1.856 176.469 174.700 -0.144 0.000 1.049 223 T CA 1.576 63.592 62.100 -0.140 0.000 1.162 223 T CB -0.203 68.662 68.868 -0.005 0.000 0.863 223 T HN 0.290 nan 8.240 nan 0.000 0.424 224 R N 0.150 120.563 120.500 -0.144 0.000 2.091 224 R HA -0.097 4.243 4.340 -0.000 0.000 0.238 224 R C 2.395 178.631 176.300 -0.107 0.000 1.136 224 R CA 1.415 57.459 56.100 -0.092 0.000 0.959 224 R CB -0.227 30.023 30.300 -0.082 0.000 0.856 224 R HN 0.293 nan 8.270 nan 0.000 0.437 225 M N -0.374 119.098 119.600 -0.213 0.000 2.108 225 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 225 M C 2.012 178.285 176.300 -0.045 0.000 1.066 225 M CA 1.536 56.736 55.300 -0.167 0.000 1.107 225 M CB -1.292 31.158 32.600 -0.249 0.000 1.356 225 M HN 0.236 nan 8.290 nan 0.000 0.406 226 Y N 0.394 120.693 120.300 -0.001 0.000 2.128 226 Y HA -0.261 4.289 4.550 -0.000 0.000 0.284 226 Y C 2.683 178.585 175.900 0.003 0.000 1.154 226 Y CA 1.282 59.384 58.100 0.002 0.000 1.149 226 Y CB -0.517 37.942 38.460 -0.002 0.000 0.976 226 Y HN 0.369 nan 8.280 nan 0.000 0.505 227 E N 0.898 121.191 120.200 0.155 0.000 2.110 227 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 227 E C 1.991 178.624 176.600 0.055 0.000 0.988 227 E CA 1.238 57.687 56.400 0.083 0.000 0.804 227 E CB -0.214 29.516 29.700 0.050 0.000 0.745 227 E HN 0.519 nan 8.360 nan 0.000 0.458 228 I N 0.359 120.954 120.570 0.042 0.000 2.202 228 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 228 I C 2.387 178.539 176.117 0.058 0.000 1.091 228 I CA 0.642 61.962 61.300 0.033 0.000 1.368 228 I CB -0.103 37.907 38.000 0.015 0.000 1.058 228 I HN 0.061 nan 8.210 nan 0.000 0.410 229 V N 1.375 121.336 119.914 0.078 0.000 2.343 229 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 229 V C 2.327 178.479 176.094 0.096 0.000 1.051 229 V CA 2.192 64.550 62.300 0.097 0.000 1.036 229 V CB -1.007 30.883 31.823 0.112 0.000 0.654 229 V HN 0.566 nan 8.190 nan 0.000 0.451 230 N N 0.387 119.137 118.700 0.084 0.000 2.069 230 N HA -0.217 4.523 4.740 -0.000 0.000 0.191 230 N C 1.763 177.309 175.510 0.060 0.000 1.031 230 N CA 2.395 55.483 53.050 0.062 0.000 0.852 230 N CB -0.202 38.314 38.487 0.048 0.000 1.018 230 N HN 0.486 nan 8.380 nan 0.000 0.423 231 T N 0.888 115.470 114.554 0.047 0.000 2.759 231 T HA -0.073 4.277 4.350 -0.000 0.000 0.269 231 T C 2.043 176.776 174.700 0.055 0.000 1.042 231 T CA 1.104 63.219 62.100 0.026 0.000 1.140 231 T CB -0.267 68.602 68.868 0.002 0.000 0.864 231 T HN 0.071 nan 8.240 nan 0.000 0.455 232 V N 2.098 122.073 119.914 0.101 0.000 2.343 232 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 232 V C 2.461 178.722 176.094 0.279 0.000 1.051 232 V CA 1.884 64.299 62.300 0.192 0.000 1.036 232 V CB -0.705 31.246 31.823 0.213 0.000 0.654 232 V HN 0.482 nan 8.190 nan 0.000 0.451 233 N N 0.279 119.102 118.700 0.205 0.000 2.120 233 N HA -0.191 4.548 4.740 -0.000 0.000 0.188 233 N C 1.806 177.450 175.510 0.223 0.000 1.024 233 N CA 1.721 54.905 53.050 0.223 0.000 0.852 233 N CB -0.125 38.436 38.487 0.123 0.000 1.003 233 N HN 0.584 nan 8.380 nan 0.000 0.424 234 E N -0.185 120.093 120.200 0.130 0.000 2.110 234 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 234 E C 1.944 178.593 176.600 0.082 0.000 0.988 234 E CA 0.911 57.362 56.400 0.086 0.000 0.804 234 E CB -0.090 29.619 29.700 0.014 0.000 0.745 234 E HN 0.511 nan 8.360 nan 0.000 0.458 235 I N 0.039 120.648 120.570 0.065 0.000 2.315 235 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 235 I C 1.495 177.690 176.117 0.129 0.000 1.117 235 I CA 1.054 62.348 61.300 -0.010 0.000 1.404 235 I CB -0.067 37.869 38.000 -0.105 0.000 1.071 235 I HN 0.086 nan 8.210 nan 0.000 0.419 236 Y N 0.463 120.914 120.300 0.252 0.000 2.471 236 Y HA 0.054 4.604 4.550 -0.000 0.000 0.286 236 Y C 2.279 178.323 175.900 0.239 0.000 1.188 236 Y CA 0.229 58.491 58.100 0.270 0.000 1.286 236 Y CB -0.352 38.234 38.460 0.211 0.000 1.072 236 Y HN 0.038 nan 8.280 nan 0.000 0.517 237 R N -0.195 120.516 120.500 0.352 0.000 2.075 237 R HA -0.256 4.083 4.340 -0.000 0.000 0.230 237 R C 2.109 178.469 176.300 0.101 0.000 1.140 237 R CA 2.077 58.372 56.100 0.324 0.000 0.928 237 R CB -0.850 29.602 30.300 0.253 0.000 0.834 237 R HN 0.452 nan 8.270 nan 0.000 0.429 238 Y N 0.612 120.870 120.300 -0.069 0.000 2.365 238 Y HA -0.162 4.388 4.550 -0.000 0.000 0.287 238 Y C 1.547 177.289 175.900 -0.263 0.000 1.162 238 Y CA 1.390 59.356 58.100 -0.224 0.000 1.260 238 Y CB -0.068 38.336 38.460 -0.094 0.000 0.976 238 Y HN 0.106 nan 8.280 nan 0.000 0.548 239 M N -0.937 118.668 119.600 0.008 0.000 2.561 239 M HA -0.004 4.476 4.480 -0.000 0.000 0.238 239 M C -0.076 176.343 176.300 0.198 0.000 1.131 239 M CA 0.414 55.761 55.300 0.078 0.000 1.046 239 M CB -1.261 31.409 32.600 0.118 0.000 1.532 239 M HN 0.540 nan 8.290 nan 0.000 0.497 240 Y N 0.266 120.521 120.300 -0.075 0.000 3.389 240 Y HA -0.226 4.324 4.550 -0.000 0.000 0.213 240 Y C -0.200 175.515 175.900 -0.308 0.000 1.272 240 Y CA -0.007 57.784 58.100 -0.516 0.000 1.444 240 Y CB -1.732 36.606 38.460 -0.202 0.000 1.445 240 Y HN 0.219 nan 8.280 nan 0.000 0.583 241 I N -0.434 120.183 120.570 0.078 0.000 2.619 241 I HA 0.325 4.495 4.170 -0.000 0.000 0.292 241 I C -0.100 176.121 176.117 0.173 0.000 1.100 241 I CA -0.694 60.636 61.300 0.050 0.000 1.043 241 I CB 2.104 40.075 38.000 -0.048 0.000 1.239 241 I HN 0.095 nan 8.210 nan 0.000 0.420 242 H N 3.959 123.032 119.070 0.005 0.000 2.469 242 H HA 0.565 5.121 4.556 -0.000 0.000 0.342 242 H C -1.011 174.335 175.328 0.031 0.000 1.115 242 H CA -0.939 55.103 56.048 -0.009 0.000 1.204 242 H CB 2.416 32.065 29.762 -0.188 0.000 1.492 242 H HN 0.187 nan 8.280 nan 0.000 0.499 243 V N 2.782 122.811 119.914 0.193 0.000 2.357 243 V HA 0.558 4.678 4.120 -0.000 0.000 0.284 243 V C -0.225 175.944 176.094 0.124 0.000 1.018 243 V CA -0.622 61.746 62.300 0.114 0.000 0.841 243 V CB 1.035 32.903 31.823 0.075 0.000 0.991 243 V HN 0.853 nan 8.190 nan 0.000 0.437 244 A N 4.964 127.863 122.820 0.132 0.000 2.343 244 A HA 0.798 5.118 4.320 -0.000 0.000 0.308 244 A C -0.981 176.659 177.584 0.092 0.000 1.092 244 A CA -0.655 51.444 52.037 0.103 0.000 0.751 244 A CB 1.373 20.441 19.000 0.113 0.000 1.203 244 A HN 0.830 nan 8.150 nan 0.000 0.452 245 L N 4.280 125.551 121.223 0.081 0.000 2.385 245 L HA 0.381 4.721 4.340 -0.000 0.000 0.281 245 L C 0.906 177.816 176.870 0.066 0.000 1.106 245 L CA 0.420 55.312 54.840 0.087 0.000 0.856 245 L CB 0.997 43.127 42.059 0.119 0.000 1.186 245 L HN 0.762 nan 8.230 nan 0.000 0.453 246 V N 2.148 122.099 119.914 0.063 0.000 3.621 246 V HA 0.694 4.814 4.120 -0.000 0.000 0.285 246 V C 0.668 176.779 176.094 0.029 0.000 1.346 246 V CA 0.535 62.862 62.300 0.045 0.000 1.104 246 V CB -0.441 31.416 31.823 0.057 0.000 0.913 246 V HN 0.781 nan 8.190 nan 0.000 0.432 247 G N 0.074 108.890 108.800 0.027 0.000 2.677 247 G HA2 0.638 4.598 3.960 -0.000 0.000 0.291 247 G HA3 0.638 4.598 3.960 -0.000 0.000 0.291 247 G C -2.106 172.813 174.900 0.031 0.000 1.435 247 G CA -0.476 44.630 45.100 0.009 0.000 0.826 247 G HN 0.695 nan 8.290 nan 0.000 0.491 248 L N 0.172 121.416 121.223 0.035 0.000 2.740 248 L HA 0.461 4.801 4.340 -0.000 0.000 0.250 248 L C -0.813 176.069 176.870 0.020 0.000 0.997 248 L CA -0.472 54.383 54.840 0.026 0.000 0.968 248 L CB 1.195 43.283 42.059 0.048 0.000 1.248 248 L HN 0.608 nan 8.230 nan 0.000 0.476 249 E N 4.997 125.203 120.200 0.011 0.000 2.216 249 E HA 0.594 4.944 4.350 -0.000 0.000 0.279 249 E C -0.845 175.694 176.600 -0.102 0.000 0.997 249 E CA -0.642 55.776 56.400 0.030 0.000 0.817 249 E CB 2.409 32.203 29.700 0.158 0.000 1.096 249 E HN 0.502 nan 8.360 nan 0.000 0.393 250 I N 2.298 122.855 120.570 -0.023 0.000 2.418 250 I HA 0.169 4.339 4.170 -0.000 0.000 0.287 250 I C -0.546 175.651 176.117 0.132 0.000 1.008 250 I CA -0.782 60.487 61.300 -0.052 0.000 1.104 250 I CB 1.139 39.129 38.000 -0.015 0.000 1.264 250 I HN 0.461 nan 8.210 nan 0.000 0.438 251 W N 5.582 126.873 121.300 -0.015 0.000 1.496 251 W HA 0.138 4.798 4.660 -0.000 0.000 0.422 251 W C 1.751 178.258 176.519 -0.019 0.000 0.638 251 W CA -0.814 56.517 57.345 -0.024 0.000 2.105 251 W CB -0.685 28.736 29.460 -0.064 0.000 1.639 251 W HN 0.662 nan 8.180 nan 0.000 0.304 252 S N -0.544 115.265 115.700 0.183 0.000 2.419 252 S HA -0.245 4.225 4.470 -0.000 0.000 0.233 252 S C 1.346 175.996 174.600 0.083 0.000 1.016 252 S CA 1.525 59.786 58.200 0.102 0.000 0.974 252 S CB -0.033 63.210 63.200 0.072 0.000 0.786 252 S HN 0.356 nan 8.310 nan 0.000 0.492 253 N N 0.939 119.690 118.700 0.086 0.000 2.324 253 N HA 0.273 5.013 4.740 -0.000 0.000 0.192 253 N C 0.453 175.979 175.510 0.027 0.000 1.046 253 N CA 0.694 53.771 53.050 0.045 0.000 0.898 253 N CB 0.167 38.673 38.487 0.030 0.000 1.079 253 N HN 0.544 nan 8.380 nan 0.000 0.456 254 E N 0.006 120.206 120.200 -0.001 0.000 2.383 254 E HA 0.180 4.530 4.350 -0.000 0.000 0.275 254 E C -1.704 174.803 176.600 -0.155 0.000 0.918 254 E CA -0.734 55.633 56.400 -0.054 0.000 0.764 254 E CB 1.334 30.986 29.700 -0.081 0.000 1.252 254 E HN 0.033 nan 8.360 nan 0.000 0.449 255 D N 2.031 122.335 120.400 -0.160 0.000 2.362 255 D HA 0.086 4.726 4.640 -0.000 0.000 0.242 255 D C 0.353 176.157 176.300 -0.827 0.000 1.132 255 D CA 0.212 53.986 54.000 -0.376 0.000 0.907 255 D CB 1.093 41.855 40.800 -0.062 0.000 1.195 255 D HN 0.336 nan 8.370 nan 0.000 0.429 256 K N 0.634 119.983 120.400 -1.751 0.000 2.404 256 K HA 0.197 4.517 4.320 -0.000 0.000 0.194 256 K C 0.528 176.696 176.600 -0.720 0.000 1.023 256 K CA 0.198 55.749 56.287 -1.227 0.000 1.094 256 K CB 0.182 31.760 32.500 -1.536 0.000 0.841 256 K HN 0.468 nan 8.250 nan 0.000 0.523 257 I N -4.379 115.865 120.570 -0.544 0.000 3.279 257 I HA 0.289 4.459 4.170 -0.000 0.000 0.315 257 I C -1.087 175.015 176.117 -0.024 0.000 1.225 257 I CA -1.024 60.185 61.300 -0.151 0.000 0.947 257 I CB 2.328 40.325 38.000 -0.005 0.000 1.293 257 I HN -0.367 nan 8.210 nan 0.000 0.468 258 T N 2.824 117.451 114.554 0.122 0.000 2.794 258 T HA 0.338 4.688 4.350 -0.000 0.000 0.304 258 T C -0.041 174.793 174.700 0.224 0.000 0.973 258 T CA -0.293 61.899 62.100 0.154 0.000 0.972 258 T CB 0.480 69.452 68.868 0.173 0.000 0.952 258 T HN 0.373 nan 8.240 nan 0.000 0.509 259 V N 6.088 126.091 119.914 0.148 0.000 2.359 259 V HA 0.123 4.243 4.120 -0.000 0.000 0.248 259 V C 0.756 176.910 176.094 0.101 0.000 1.091 259 V CA -0.000 62.385 62.300 0.142 0.000 1.103 259 V CB -0.908 30.983 31.823 0.113 0.000 1.176 259 V HN 0.677 nan 8.190 nan 0.000 0.488 260 K N 5.436 125.914 120.400 0.131 0.000 2.095 260 K HA 0.396 4.716 4.320 -0.000 0.000 0.252 260 K C -1.771 174.856 176.600 0.045 0.000 0.977 260 K CA -1.827 54.485 56.287 0.042 0.000 0.900 260 K CB 1.320 33.783 32.500 -0.061 0.000 1.060 260 K HN 0.112 nan 8.250 nan 0.000 0.449 261 P HA -0.103 nan 4.420 nan 0.000 0.226 261 P C -0.802 176.508 177.300 0.017 0.000 1.153 261 P CA 0.981 64.087 63.100 0.009 0.000 0.777 261 P CB 0.247 31.944 31.700 -0.004 0.000 0.794 262 E N -0.078 120.138 120.200 0.027 0.000 1.944 262 E HA 0.183 4.533 4.350 -0.000 0.000 0.272 262 E C 1.227 177.873 176.600 0.077 0.000 1.195 262 E CA -0.329 56.098 56.400 0.046 0.000 0.926 262 E CB 0.352 30.086 29.700 0.057 0.000 1.051 262 E HN 0.066 nan 8.360 nan 0.000 0.404 263 A N 4.160 127.002 122.820 0.036 0.000 1.915 263 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 263 A C 2.178 179.779 177.584 0.028 0.000 1.198 263 A CA 2.216 54.264 52.037 0.018 0.000 0.647 263 A CB -1.128 17.863 19.000 -0.016 0.000 0.825 263 A HN 0.754 nan 8.150 nan 0.000 0.456 264 G N -1.926 106.892 108.800 0.030 0.000 2.476 264 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.218 264 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.218 264 G C 1.572 176.521 174.900 0.082 0.000 1.164 264 G CA 1.450 46.566 45.100 0.026 0.000 0.768 264 G HN 0.662 nan 8.290 nan 0.000 0.560 265 Y N 1.654 121.967 120.300 0.022 0.000 2.114 265 Y HA -0.153 4.396 4.550 -0.000 0.000 0.284 265 Y C 3.178 179.123 175.900 0.075 0.000 1.143 265 Y CA 2.432 60.560 58.100 0.048 0.000 1.135 265 Y CB -0.492 37.991 38.460 0.038 0.000 0.980 265 Y HN 0.197 nan 8.280 nan 0.000 0.499 266 T N 1.412 116.106 114.554 0.234 0.000 2.720 266 T HA -0.221 4.128 4.350 -0.000 0.000 0.268 266 T C 1.765 176.531 174.700 0.111 0.000 1.037 266 T CA 1.578 63.775 62.100 0.161 0.000 1.144 266 T CB -0.701 68.256 68.868 0.148 0.000 0.864 266 T HN 0.332 nan 8.240 nan 0.000 0.444 267 L N 2.312 123.581 121.223 0.077 0.000 1.994 267 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 267 L C 2.158 179.156 176.870 0.213 0.000 1.071 267 L CA 1.813 56.721 54.840 0.114 0.000 0.745 267 L CB -0.983 41.037 42.059 -0.065 0.000 0.892 267 L HN 0.220 nan 8.230 nan 0.000 0.431 268 N N -0.205 118.564 118.700 0.115 0.000 2.166 268 N HA -0.198 4.542 4.740 -0.000 0.000 0.186 268 N C 1.712 177.265 175.510 0.071 0.000 1.019 268 N CA 1.524 54.657 53.050 0.138 0.000 0.856 268 N CB 0.028 38.542 38.487 0.045 0.000 0.993 268 N HN 0.533 nan 8.380 nan 0.000 0.426 269 A N 0.434 123.227 122.820 -0.046 0.000 1.873 269 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 269 A C 2.062 179.782 177.584 0.226 0.000 1.186 269 A CA 0.853 52.873 52.037 -0.029 0.000 0.616 269 A CB -1.069 17.813 19.000 -0.197 0.000 0.823 269 A HN 0.413 nan 8.150 nan 0.000 0.442 270 F N 1.339 121.379 119.950 0.150 0.000 2.134 270 F HA -0.038 4.489 4.527 -0.000 0.000 0.299 270 F C 2.282 178.296 175.800 0.357 0.000 1.097 270 F CA 1.339 59.511 58.000 0.288 0.000 1.264 270 F CB -0.734 38.396 39.000 0.217 0.000 1.001 270 F HN 0.194 nan 8.300 nan 0.000 0.479 271 G N -0.163 108.808 108.800 0.286 0.000 2.421 271 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 271 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 271 G C 1.560 176.497 174.900 0.060 0.000 1.171 271 G CA 0.738 45.922 45.100 0.140 0.000 0.775 271 G HN 0.320 nan 8.290 nan 0.000 0.543 272 E N -0.399 119.861 120.200 0.101 0.000 2.204 272 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 272 E C 1.954 178.612 176.600 0.096 0.000 0.990 272 E CA 0.623 57.066 56.400 0.072 0.000 0.821 272 E CB -0.213 29.529 29.700 0.069 0.000 0.750 272 E HN 0.745 nan 8.360 nan 0.000 0.477 273 W N 1.545 122.824 121.300 -0.035 0.000 2.576 273 W HA -0.009 4.650 4.660 -0.000 0.000 0.270 273 W C 2.169 178.647 176.519 -0.068 0.000 1.255 273 W CA 0.662 57.992 57.345 -0.025 0.000 1.314 273 W CB 0.137 29.624 29.460 0.045 0.000 1.101 273 W HN -0.140 nan 8.180 nan 0.000 0.595 274 R N 1.146 121.531 120.500 -0.191 0.000 2.090 274 R HA -0.112 4.228 4.340 -0.000 0.000 0.228 274 R C 2.119 178.245 176.300 -0.290 0.000 1.110 274 R CA 1.132 57.005 56.100 -0.377 0.000 0.973 274 R CB -0.573 29.575 30.300 -0.253 0.000 0.869 274 R HN 0.069 nan 8.270 nan 0.000 0.440 275 K N 0.481 120.775 120.400 -0.178 0.000 2.217 275 K HA -0.068 4.252 4.320 -0.000 0.000 0.202 275 K C 1.550 178.061 176.600 -0.148 0.000 1.051 275 K CA 1.738 57.947 56.287 -0.131 0.000 0.952 275 K CB 0.136 32.596 32.500 -0.065 0.000 0.736 275 K HN 0.372 nan 8.250 nan 0.000 0.453 276 T N -3.173 111.268 114.554 -0.190 0.000 3.000 276 T HA 0.044 4.394 4.350 -0.000 0.000 0.248 276 T C 1.384 175.942 174.700 -0.237 0.000 1.034 276 T CA 0.389 62.391 62.100 -0.164 0.000 1.060 276 T CB 0.267 69.079 68.868 -0.093 0.000 0.983 276 T HN -0.028 nan 8.240 nan 0.000 0.482 277 D N -0.151 119.971 120.400 -0.463 0.000 2.470 277 D HA 0.221 4.861 4.640 -0.000 0.000 0.238 277 D C 1.623 177.597 176.300 -0.543 0.000 1.054 277 D CA 0.053 53.747 54.000 -0.509 0.000 0.896 277 D CB 0.276 40.690 40.800 -0.643 0.000 1.118 277 D HN 0.287 nan 8.370 nan 0.000 0.497 278 L N 0.202 120.967 121.223 -0.763 0.000 2.200 278 L HA 0.243 4.583 4.340 -0.000 0.000 0.200 278 L C 1.817 178.607 176.870 -0.133 0.000 1.072 278 L CA 0.942 55.497 54.840 -0.475 0.000 0.787 278 L CB -0.585 41.108 42.059 -0.610 0.000 0.957 278 L HN 0.013 nan 8.230 nan 0.000 0.459 279 L N -0.580 120.587 121.223 -0.094 0.000 2.362 279 L HA -0.110 4.230 4.340 -0.000 0.000 0.219 279 L C 2.340 179.183 176.870 -0.045 0.000 1.134 279 L CA 1.865 56.698 54.840 -0.012 0.000 0.807 279 L CB -0.744 41.246 42.059 -0.114 0.000 0.927 279 L HN 0.434 nan 8.230 nan 0.000 0.447 280 T N -0.384 114.119 114.554 -0.084 0.000 2.951 280 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 280 T C 1.479 176.160 174.700 -0.033 0.000 1.073 280 T CA 1.073 63.136 62.100 -0.061 0.000 1.134 280 T CB -0.055 68.766 68.868 -0.078 0.000 0.884 280 T HN 0.577 nan 8.240 nan 0.000 0.479 281 R N -0.022 120.462 120.500 -0.028 0.000 2.690 281 R HA 0.498 4.838 4.340 -0.000 0.000 0.419 281 R C -0.729 175.579 176.300 0.014 0.000 1.090 281 R CA -0.624 55.473 56.100 -0.006 0.000 1.064 281 R CB 0.311 30.608 30.300 -0.006 0.000 1.391 281 R HN -0.001 nan 8.270 nan 0.000 0.586 282 K N 1.321 121.746 120.400 0.042 0.000 2.578 282 K HA 0.094 4.414 4.320 -0.000 0.000 0.263 282 K C -1.769 174.947 176.600 0.193 0.000 0.973 282 K CA -0.408 55.927 56.287 0.081 0.000 0.909 282 K CB 1.195 33.713 32.500 0.029 0.000 1.326 282 K HN -0.002 nan 8.250 nan 0.000 0.440 283 K N 5.264 125.741 120.400 0.128 0.000 2.310 283 K HA 0.197 4.517 4.320 -0.000 0.000 0.290 283 K C -1.142 175.569 176.600 0.185 0.000 1.077 283 K CA 0.069 56.420 56.287 0.107 0.000 0.922 283 K CB 0.044 32.567 32.500 0.039 0.000 1.057 283 K HN 0.886 nan 8.250 nan 0.000 0.479 284 H N 1.540 120.611 119.070 0.002 0.000 3.037 284 H HA 0.278 4.834 4.556 -0.000 0.000 0.355 284 H C -0.729 174.614 175.328 0.024 0.000 1.263 284 H CA -0.689 55.371 56.048 0.021 0.000 1.129 284 H CB 0.957 30.737 29.762 0.030 0.000 1.861 284 H HN 0.355 nan 8.280 nan 0.000 0.546 285 D N 0.266 120.686 120.400 0.034 0.000 2.197 285 D HA -0.026 4.613 4.640 -0.000 0.000 0.212 285 D C 0.326 176.635 176.300 0.014 0.000 0.963 285 D CA 0.725 54.718 54.000 -0.012 0.000 0.864 285 D CB 0.771 41.602 40.800 0.051 0.000 1.009 285 D HN 0.514 nan 8.370 nan 0.000 0.479 286 N N -0.267 118.517 118.700 0.139 0.000 2.262 286 N HA 0.508 5.247 4.740 -0.000 0.000 0.295 286 N C -1.823 173.878 175.510 0.319 0.000 1.161 286 N CA -0.367 52.792 53.050 0.182 0.000 0.767 286 N CB 2.760 41.324 38.487 0.128 0.000 1.499 286 N HN -0.040 nan 8.380 nan 0.000 0.476 287 A N 1.871 124.880 122.820 0.316 0.000 2.422 287 A HA 0.526 4.846 4.320 -0.000 0.000 0.302 287 A C -1.467 176.386 177.584 0.449 0.000 1.041 287 A CA -0.601 51.659 52.037 0.372 0.000 0.708 287 A CB 1.799 21.030 19.000 0.386 0.000 1.257 287 A HN 0.559 nan 8.150 nan 0.000 0.414 288 Q N 1.031 121.040 119.800 0.350 0.000 2.337 288 Q HA 0.429 4.769 4.340 -0.000 0.000 0.270 288 Q C -1.595 174.361 176.000 -0.073 0.000 1.043 288 Q CA -0.744 55.167 55.803 0.179 0.000 0.794 288 Q CB 2.450 31.247 28.738 0.098 0.000 1.281 288 Q HN 0.684 nan 8.270 nan 0.000 0.446 289 L N 3.237 124.138 121.223 -0.537 0.000 2.264 289 L HA 0.393 4.733 4.340 -0.000 0.000 0.289 289 L C -1.280 175.334 176.870 -0.427 0.000 1.044 289 L CA -0.367 53.983 54.840 -0.816 0.000 0.807 289 L CB 0.629 41.726 42.059 -1.605 0.000 1.192 289 L HN 0.529 nan 8.230 nan 0.000 0.425 290 L N 4.909 125.934 121.223 -0.330 0.000 2.264 290 L HA 0.598 4.938 4.340 -0.000 0.000 0.289 290 L C 0.139 176.892 176.870 -0.194 0.000 1.044 290 L CA 0.386 55.100 54.840 -0.210 0.000 0.807 290 L CB 1.545 43.508 42.059 -0.159 0.000 1.192 290 L HN 0.770 nan 8.230 nan 0.000 0.425 291 T N 2.271 116.746 114.554 -0.133 0.000 2.900 291 T HA 0.660 5.010 4.350 -0.000 0.000 0.295 291 T C 0.468 175.140 174.700 -0.048 0.000 1.044 291 T CA 0.066 62.113 62.100 -0.089 0.000 0.995 291 T CB 1.694 70.518 68.868 -0.073 0.000 1.072 291 T HN 0.580 nan 8.240 nan 0.000 0.473 292 A N 3.750 126.551 122.820 -0.032 0.000 2.267 292 A HA 0.401 4.720 4.320 -0.000 0.000 0.213 292 A C 1.000 178.581 177.584 -0.007 0.000 1.192 292 A CA -0.226 51.800 52.037 -0.019 0.000 0.851 292 A CB -0.720 18.267 19.000 -0.021 0.000 0.881 292 A HN 0.886 nan 8.150 nan 0.000 0.494 293 I N -1.809 118.758 120.570 -0.004 0.000 2.754 293 I HA 0.301 4.471 4.170 -0.000 0.000 0.285 293 I C -0.359 175.763 176.117 0.009 0.000 1.166 293 I CA -0.508 60.794 61.300 0.003 0.000 1.417 293 I CB 0.402 38.407 38.000 0.007 0.000 1.382 293 I HN 0.005 nan 8.210 nan 0.000 0.588 294 D N 6.417 126.824 120.400 0.012 0.000 2.336 294 D HA 0.316 4.956 4.640 -0.000 0.000 0.249 294 D C -0.262 176.048 176.300 0.016 0.000 1.213 294 D CA -0.175 53.839 54.000 0.023 0.000 0.870 294 D CB 0.545 41.359 40.800 0.023 0.000 1.076 294 D HN 0.521 nan 8.370 nan 0.000 0.483 295 L N 2.950 124.181 121.223 0.014 0.000 2.452 295 L HA 0.183 4.523 4.340 -0.000 0.000 0.267 295 L C 0.646 177.516 176.870 0.000 0.000 1.188 295 L CA -0.545 54.297 54.840 0.003 0.000 0.821 295 L CB 0.525 42.579 42.059 -0.009 0.000 1.102 295 L HN 0.345 nan 8.230 nan 0.000 0.470 296 D N 2.719 123.117 120.400 -0.002 0.000 2.401 296 D HA 0.099 4.739 4.640 -0.000 0.000 0.254 296 D C 0.859 177.150 176.300 -0.014 0.000 1.192 296 D CA 0.170 54.167 54.000 -0.005 0.000 0.885 296 D CB 0.935 41.733 40.800 -0.004 0.000 1.147 296 D HN 0.497 nan 8.370 nan 0.000 0.478 297 R N -0.538 119.952 120.500 -0.016 0.000 1.706 297 R HA -0.274 4.066 4.340 -0.000 0.000 0.091 297 R C 0.863 177.130 176.300 -0.055 0.000 0.932 297 R CA 2.016 58.098 56.100 -0.029 0.000 1.944 297 R CB -1.585 28.700 30.300 -0.025 0.000 0.506 297 R HN 0.478 nan 8.270 nan 0.000 0.707 298 V N -0.221 119.657 119.914 -0.060 0.000 3.211 298 V HA 0.568 4.688 4.120 -0.000 0.000 0.319 298 V C 1.280 177.305 176.094 -0.115 0.000 1.096 298 V CA 0.028 62.270 62.300 -0.096 0.000 1.029 298 V CB 1.485 33.265 31.823 -0.072 0.000 1.137 298 V HN 0.408 nan 8.190 nan 0.000 0.453 299 I N -1.765 118.700 120.570 -0.175 0.000 4.154 299 I HA 0.784 4.954 4.170 -0.000 0.000 0.334 299 I C 0.526 176.577 176.117 -0.110 0.000 1.371 299 I CA 0.186 61.380 61.300 -0.175 0.000 1.110 299 I CB 0.327 38.090 38.000 -0.396 0.000 1.085 299 I HN 0.912 nan 8.210 nan 0.000 0.398 300 G N 1.595 110.344 108.800 -0.086 0.000 2.556 300 G HA2 0.567 4.527 3.960 -0.000 0.000 0.294 300 G HA3 0.567 4.527 3.960 -0.000 0.000 0.294 300 G C -2.376 172.521 174.900 -0.006 0.000 1.516 300 G CA -0.485 44.594 45.100 -0.034 0.000 0.824 300 G HN 0.049 nan 8.290 nan 0.000 0.535 301 L N 0.409 121.630 121.223 -0.003 0.000 2.465 301 L HA 0.985 5.324 4.340 -0.000 0.000 0.257 301 L C -0.401 176.438 176.870 -0.052 0.000 0.988 301 L CA -0.094 54.721 54.840 -0.041 0.000 0.827 301 L CB 2.246 44.251 42.059 -0.090 0.000 1.397 301 L HN 1.765 nan 8.230 nan 0.000 0.410 302 A N 1.879 124.619 122.820 -0.135 0.000 2.594 302 A HA 0.617 4.937 4.320 -0.000 0.000 0.296 302 A C -1.925 175.521 177.584 -0.230 0.000 1.061 302 A CA -0.551 51.419 52.037 -0.112 0.000 0.689 302 A CB 0.507 19.567 19.000 0.100 0.000 1.280 302 A HN 0.491 nan 8.150 nan 0.000 0.406 303 Y N 0.226 120.500 120.300 -0.043 0.000 2.457 303 Y HA 0.390 4.940 4.550 -0.000 0.000 0.341 303 Y C 0.822 176.658 175.900 -0.106 0.000 1.240 303 Y CA 0.287 58.335 58.100 -0.087 0.000 1.437 303 Y CB 0.714 39.126 38.460 -0.081 0.000 1.328 303 Y HN 0.405 nan 8.280 nan 0.000 0.588 304 V N 1.079 121.003 119.914 0.017 0.000 2.483 304 V HA 0.498 4.618 4.120 -0.000 0.000 0.295 304 V C 0.454 176.445 176.094 -0.172 0.000 1.035 304 V CA -0.739 61.518 62.300 -0.073 0.000 0.896 304 V CB 1.005 32.782 31.823 -0.077 0.000 0.986 304 V HN 0.999 nan 8.190 nan 0.000 0.447 305 G N 4.089 112.626 108.800 -0.438 0.000 2.370 305 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.293 305 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.293 305 G C 0.391 175.112 174.900 -0.299 0.000 0.992 305 G CA 0.603 45.173 45.100 -0.883 0.000 1.247 305 G HN 1.455 nan 8.290 nan 0.000 0.505 306 S N -1.100 114.500 115.700 -0.167 0.000 2.960 306 S HA 0.467 4.936 4.470 -0.000 0.000 0.256 306 S C 0.685 175.363 174.600 0.130 0.000 1.017 306 S CA 0.535 58.755 58.200 0.034 0.000 1.144 306 S CB 0.305 63.464 63.200 -0.068 0.000 1.109 306 S HN 0.907 nan 8.310 nan 0.000 0.638 307 M N 2.206 121.910 119.600 0.172 0.000 2.240 307 M HA 0.205 4.685 4.480 -0.000 0.000 0.346 307 M C 0.848 177.241 176.300 0.155 0.000 1.236 307 M CA 0.759 56.164 55.300 0.175 0.000 0.986 307 M CB -0.962 31.789 32.600 0.252 0.000 1.786 307 M HN 0.642 nan 8.290 nan 0.000 0.457 308 c N 0.700 119.350 118.600 0.083 0.000 5.716 308 c HA -0.203 4.367 4.570 -0.000 0.000 0.276 308 c C 0.659 174.755 174.090 0.010 0.000 1.974 308 c CA 0.594 56.939 56.329 0.027 0.000 1.737 308 c CB -3.101 39.421 42.510 0.020 0.000 2.710 308 c HN 0.938 nan 8.230 nan 0.000 0.494 309 H N 3.849 122.897 119.070 -0.037 0.000 3.004 309 H HA 0.099 4.655 4.556 -0.000 0.000 0.316 309 H C -0.855 174.410 175.328 -0.105 0.000 1.014 309 H CA -0.018 55.985 56.048 -0.074 0.000 1.454 309 H CB 1.090 30.796 29.762 -0.093 0.000 1.472 309 H HN 0.284 nan 8.280 nan 0.000 0.571 310 P HA -0.225 nan 4.420 nan 0.000 0.217 310 P C 0.744 178.067 177.300 0.039 0.000 1.151 310 P CA 2.320 65.391 63.100 -0.049 0.000 0.849 310 P CB 0.392 32.016 31.700 -0.127 0.000 0.787 311 K N -1.176 119.345 120.400 0.201 0.000 2.367 311 K HA 0.180 4.500 4.320 -0.000 0.000 0.198 311 K C 2.164 178.663 176.600 -0.169 0.000 1.132 311 K CA -0.187 56.098 56.287 -0.004 0.000 0.941 311 K CB -0.183 32.295 32.500 -0.037 0.000 1.052 311 K HN -0.161 nan 8.250 nan 0.000 0.507 312 R N 1.177 121.415 120.500 -0.437 0.000 2.276 312 R HA 0.108 4.448 4.340 -0.000 0.000 0.203 312 R C 0.770 176.954 176.300 -0.193 0.000 1.017 312 R CA 0.478 56.104 56.100 -0.791 0.000 1.010 312 R CB 0.140 29.754 30.300 -1.143 0.000 0.900 312 R HN 0.074 nan 8.270 nan 0.000 0.469 313 S N 1.306 117.000 115.700 -0.009 0.000 4.069 313 S HA 0.042 4.512 4.470 -0.000 0.000 0.192 313 S C -0.247 174.449 174.600 0.160 0.000 1.441 313 S CA -0.263 57.989 58.200 0.087 0.000 0.994 313 S CB -0.445 62.799 63.200 0.072 0.000 1.456 313 S HN 0.348 nan 8.310 nan 0.000 0.458 314 T N -1.422 113.288 114.554 0.260 0.000 2.681 314 T HA 0.889 5.239 4.350 -0.000 0.000 0.296 314 T C -0.140 174.784 174.700 0.374 0.000 1.157 314 T CA -0.449 61.876 62.100 0.375 0.000 1.025 314 T CB 1.455 70.604 68.868 0.470 0.000 1.441 314 T HN 0.513 nan 8.240 nan 0.000 0.504 315 G N -0.150 108.864 108.800 0.356 0.000 2.489 315 G HA2 0.556 4.516 3.960 -0.000 0.000 0.291 315 G HA3 0.556 4.516 3.960 -0.000 0.000 0.291 315 G C -1.618 173.315 174.900 0.056 0.000 1.487 315 G CA -0.556 44.652 45.100 0.180 0.000 0.795 315 G HN 1.385 nan 8.290 nan 0.000 0.513 316 I N -1.870 118.685 120.570 -0.026 0.000 2.740 316 I HA 0.897 5.067 4.170 -0.000 0.000 0.303 316 I C -0.950 175.122 176.117 -0.074 0.000 1.044 316 I CA -1.538 59.682 61.300 -0.133 0.000 1.064 316 I CB 2.375 40.286 38.000 -0.148 0.000 1.249 316 I HN 0.425 nan 8.210 nan 0.000 0.433 317 I N 3.063 123.573 120.570 -0.101 0.000 2.619 317 I HA 0.352 4.522 4.170 -0.000 0.000 0.292 317 I C -0.743 175.340 176.117 -0.058 0.000 1.100 317 I CA -0.510 60.756 61.300 -0.056 0.000 1.043 317 I CB 2.225 40.205 38.000 -0.035 0.000 1.239 317 I HN 0.695 nan 8.210 nan 0.000 0.420 318 Q N 3.356 123.140 119.800 -0.026 0.000 2.230 318 Q HA 0.172 4.511 4.340 -0.000 0.000 0.253 318 Q C -0.478 175.546 176.000 0.040 0.000 0.919 318 Q CA -0.529 55.277 55.803 0.004 0.000 0.908 318 Q CB 1.619 30.378 28.738 0.034 0.000 1.245 318 Q HN 0.579 nan 8.270 nan 0.000 0.437 319 D N 2.844 123.258 120.400 0.023 0.000 2.982 319 D HA -0.063 4.577 4.640 -0.000 0.000 0.238 319 D C 0.525 176.859 176.300 0.056 0.000 1.168 319 D CA 0.140 54.152 54.000 0.020 0.000 0.947 319 D CB -0.384 40.406 40.800 -0.017 0.000 1.147 319 D HN 0.598 nan 8.370 nan 0.000 0.450 320 Y N 0.943 121.217 120.300 -0.043 0.000 2.132 320 Y HA -0.206 4.344 4.550 -0.000 0.000 0.280 320 Y C 0.952 176.829 175.900 -0.037 0.000 1.193 320 Y CA 1.478 59.554 58.100 -0.040 0.000 1.157 320 Y CB -0.058 38.376 38.460 -0.043 0.000 0.966 320 Y HN 0.211 nan 8.280 nan 0.000 0.511 321 S N -1.721 113.945 115.700 -0.057 0.000 2.661 321 S HA 0.314 4.784 4.470 -0.000 0.000 0.285 321 S C 0.337 174.895 174.600 -0.070 0.000 1.138 321 S CA -0.455 57.660 58.200 -0.142 0.000 0.855 321 S CB 1.569 64.706 63.200 -0.104 0.000 1.136 321 S HN 0.292 nan 8.310 nan 0.000 0.484 322 E N 0.586 120.740 120.200 -0.076 0.000 2.385 322 E HA 0.220 4.570 4.350 -0.000 0.000 0.194 322 E C -0.246 176.331 176.600 -0.038 0.000 1.013 322 E CA 0.275 56.644 56.400 -0.053 0.000 0.866 322 E CB 0.082 29.749 29.700 -0.055 0.000 0.832 322 E HN 0.579 nan 8.360 nan 0.000 0.500 323 I N 2.582 123.130 120.570 -0.035 0.000 2.406 323 I HA -0.032 4.138 4.170 -0.000 0.000 0.293 323 I C 1.122 177.231 176.117 -0.015 0.000 1.101 323 I CA 0.007 61.293 61.300 -0.024 0.000 1.334 323 I CB 0.280 38.267 38.000 -0.021 0.000 1.421 323 I HN 0.090 nan 8.210 nan 0.000 0.513 324 N N 4.049 122.739 118.700 -0.016 0.000 2.069 324 N HA -0.267 4.473 4.740 -0.000 0.000 0.196 324 N C 1.858 177.361 175.510 -0.011 0.000 1.024 324 N CA 1.049 54.092 53.050 -0.013 0.000 0.869 324 N CB -0.105 38.375 38.487 -0.012 0.000 1.035 324 N HN 0.546 nan 8.380 nan 0.000 0.434 325 L N 1.465 122.676 121.223 -0.020 0.000 2.081 325 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 325 L C 2.013 178.869 176.870 -0.023 0.000 1.080 325 L CA 1.409 56.229 54.840 -0.032 0.000 0.754 325 L CB -0.454 41.578 42.059 -0.045 0.000 0.893 325 L HN -0.010 nan 8.230 nan 0.000 0.433 326 V N -1.331 118.582 119.914 -0.002 0.000 2.407 326 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 326 V C 2.440 178.552 176.094 0.030 0.000 1.055 326 V CA 1.590 63.904 62.300 0.025 0.000 1.049 326 V CB -0.505 31.360 31.823 0.069 0.000 0.662 326 V HN 0.371 nan 8.190 nan 0.000 0.455 327 V N 0.201 120.131 119.914 0.027 0.000 2.548 327 V HA -0.135 3.984 4.120 -0.000 0.000 0.249 327 V C 2.628 178.734 176.094 0.020 0.000 1.055 327 V CA 1.544 63.860 62.300 0.026 0.000 1.065 327 V CB -0.941 30.890 31.823 0.014 0.000 0.681 327 V HN 0.533 nan 8.190 nan 0.000 0.462 328 A N 0.152 122.978 122.820 0.009 0.000 1.873 328 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 328 A C 2.401 179.992 177.584 0.010 0.000 1.186 328 A CA 1.992 54.038 52.037 0.015 0.000 0.616 328 A CB -0.694 18.302 19.000 -0.006 0.000 0.823 328 A HN 0.310 nan 8.150 nan 0.000 0.442 329 V N 1.004 120.903 119.914 -0.026 0.000 2.332 329 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 329 V C 2.474 178.578 176.094 0.017 0.000 1.055 329 V CA 1.887 64.157 62.300 -0.049 0.000 1.038 329 V CB -0.749 31.029 31.823 -0.076 0.000 0.651 329 V HN 0.530 nan 8.190 nan 0.000 0.450 330 I N -0.627 119.951 120.570 0.014 0.000 2.127 330 I HA -0.334 3.836 4.170 -0.000 0.000 0.241 330 I C 2.406 178.592 176.117 0.115 0.000 1.075 330 I CA 2.211 63.528 61.300 0.029 0.000 1.334 330 I CB -1.106 36.891 38.000 -0.005 0.000 1.040 330 I HN 0.365 nan 8.210 nan 0.000 0.405 331 M N 0.763 120.422 119.600 0.098 0.000 2.067 331 M HA -0.201 4.279 4.480 -0.000 0.000 0.260 331 M C 2.464 178.888 176.300 0.207 0.000 1.069 331 M CA 2.395 57.774 55.300 0.131 0.000 1.117 331 M CB -0.143 32.520 32.600 0.105 0.000 1.334 331 M HN 0.225 nan 8.290 nan 0.000 0.407 332 A N -0.936 122.012 122.820 0.213 0.000 1.908 332 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 332 A C 1.799 179.569 177.584 0.309 0.000 1.181 332 A CA 2.346 54.582 52.037 0.331 0.000 0.627 332 A CB -1.348 17.708 19.000 0.092 0.000 0.818 332 A HN 0.804 nan 8.150 nan 0.000 0.445 333 H N -0.389 118.735 119.070 0.091 0.000 2.321 333 H HA -0.115 4.441 4.556 -0.000 0.000 0.300 333 H C 2.028 177.418 175.328 0.104 0.000 1.087 333 H CA 1.956 58.040 56.048 0.060 0.000 1.319 333 H CB 0.110 29.888 29.762 0.026 0.000 1.379 333 H HN 0.406 nan 8.280 nan 0.000 0.501 334 E N 0.327 120.718 120.200 0.318 0.000 2.047 334 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 334 E C 2.419 179.148 176.600 0.214 0.000 0.987 334 E CA 1.091 57.673 56.400 0.303 0.000 0.799 334 E CB -0.341 29.499 29.700 0.234 0.000 0.752 334 E HN 0.621 nan 8.360 nan 0.000 0.449 335 M N 0.276 120.001 119.600 0.209 0.000 2.159 335 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 335 M C 2.295 178.684 176.300 0.148 0.000 1.063 335 M CA 1.615 57.014 55.300 0.165 0.000 1.110 335 M CB -0.649 32.041 32.600 0.150 0.000 1.374 335 M HN 0.167 nan 8.290 nan 0.000 0.411 336 G N -0.300 108.632 108.800 0.221 0.000 2.491 336 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 336 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 336 G C 1.208 176.057 174.900 -0.085 0.000 1.180 336 G CA 0.979 46.137 45.100 0.097 0.000 0.774 336 G HN 0.426 nan 8.290 nan 0.000 0.562 337 H N 0.781 119.802 119.070 -0.082 0.000 2.353 337 H HA -0.091 4.464 4.556 -0.000 0.000 0.298 337 H C 2.621 177.846 175.328 -0.171 0.000 1.103 337 H CA 1.591 57.552 56.048 -0.145 0.000 1.293 337 H CB -0.496 29.201 29.762 -0.109 0.000 1.372 337 H HN 0.472 nan 8.280 nan 0.000 0.501 338 N N 0.384 119.101 118.700 0.028 0.000 2.166 338 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 338 N C 1.137 176.500 175.510 -0.245 0.000 1.019 338 N CA 0.266 53.287 53.050 -0.049 0.000 0.856 338 N CB -0.058 38.456 38.487 0.044 0.000 0.993 338 N HN 0.162 nan 8.380 nan 0.000 0.426 339 L N 0.683 121.779 121.223 -0.212 0.000 2.718 339 L HA 0.149 4.489 4.340 -0.000 0.000 0.242 339 L C 0.903 177.452 176.870 -0.535 0.000 1.203 339 L CA -0.263 54.418 54.840 -0.265 0.000 1.011 339 L CB -0.488 41.500 42.059 -0.119 0.000 1.250 339 L HN 0.237 nan 8.230 nan 0.000 0.437 340 G N 0.726 109.032 108.800 -0.822 0.000 2.225 340 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.267 340 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.267 340 G C 0.162 174.917 174.900 -0.242 0.000 1.024 340 G CA 0.081 44.755 45.100 -0.709 0.000 0.784 340 G HN 0.396 nan 8.290 nan 0.000 0.507 341 I N 0.325 120.785 120.570 -0.183 0.000 2.385 341 I HA 0.345 4.514 4.170 -0.000 0.000 0.294 341 I C 0.275 176.331 176.117 -0.102 0.000 0.988 341 I CA -0.968 60.261 61.300 -0.118 0.000 1.265 341 I CB 1.181 39.093 38.000 -0.147 0.000 1.388 341 I HN 0.004 nan 8.210 nan 0.000 0.480 342 N N 3.130 121.804 118.700 -0.043 0.000 2.483 342 N HA 0.372 5.112 4.740 -0.000 0.000 0.285 342 N C -0.578 174.926 175.510 -0.010 0.000 1.210 342 N CA -0.758 52.272 53.050 -0.032 0.000 0.931 342 N CB 0.901 39.400 38.487 0.021 0.000 1.220 342 N HN 0.517 nan 8.380 nan 0.000 0.542 343 H N -0.092 119.063 119.070 0.142 0.000 2.929 343 H HA -0.005 4.550 4.556 -0.000 0.000 0.358 343 H C -0.345 175.049 175.328 0.110 0.000 1.111 343 H CA 0.053 56.179 56.048 0.131 0.000 1.409 343 H CB 0.531 30.398 29.762 0.176 0.000 1.373 343 H HN 0.284 nan 8.280 nan 0.000 0.610 344 D N 1.026 121.578 120.400 0.252 0.000 2.383 344 D HA 0.057 4.697 4.640 -0.000 0.000 0.252 344 D C 0.110 176.502 176.300 0.152 0.000 1.166 344 D CA 0.230 54.336 54.000 0.178 0.000 0.879 344 D CB 1.348 42.238 40.800 0.149 0.000 1.164 344 D HN 0.326 nan 8.370 nan 0.000 0.462 345 S N 0.845 116.629 115.700 0.141 0.000 2.759 345 S HA 0.649 5.119 4.470 -0.000 0.000 0.310 345 S C 1.435 176.105 174.600 0.117 0.000 1.123 345 S CA -0.003 58.270 58.200 0.122 0.000 0.959 345 S CB 1.273 64.550 63.200 0.128 0.000 1.172 345 S HN 0.524 nan 8.310 nan 0.000 0.539 346 G N 1.240 110.107 108.800 0.112 0.000 3.869 346 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 346 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 346 G C -0.113 174.822 174.900 0.059 0.000 0.870 346 G CA 1.696 46.862 45.100 0.110 0.000 0.731 346 G HN 0.760 nan 8.290 nan 0.000 1.403 347 Y N 0.978 121.304 120.300 0.044 0.000 2.667 347 Y HA 0.517 5.067 4.550 -0.000 0.000 0.340 347 Y C 0.602 176.538 175.900 0.060 0.000 1.303 347 Y CA -0.935 57.191 58.100 0.043 0.000 1.769 347 Y CB -0.037 38.442 38.460 0.033 0.000 1.804 347 Y HN 0.329 nan 8.280 nan 0.000 0.451 348 c N 0.438 119.132 118.600 0.157 0.000 2.563 348 c HA 0.799 5.369 4.570 -0.000 0.000 0.314 348 c C 0.025 174.186 174.090 0.118 0.000 1.199 348 c CA -0.845 55.577 56.329 0.155 0.000 1.564 348 c CB 1.613 44.218 42.510 0.157 0.000 2.173 348 c HN 0.600 nan 8.230 nan 0.000 0.485 349 S N -0.029 115.751 115.700 0.133 0.000 2.556 349 S HA 0.662 5.132 4.470 -0.000 0.000 0.271 349 S C -0.155 174.508 174.600 0.104 0.000 1.135 349 S CA -0.400 57.857 58.200 0.095 0.000 0.858 349 S CB 1.132 64.372 63.200 0.066 0.000 1.114 349 S HN 1.131 nan 8.310 nan 0.000 0.468 350 c N 1.344 119.983 118.600 0.065 0.000 3.226 350 c HA 0.826 5.396 4.570 -0.000 0.000 0.258 350 c C 1.230 175.302 174.090 -0.031 0.000 1.688 350 c CA 0.012 56.364 56.329 0.038 0.000 1.774 350 c CB -1.116 41.446 42.510 0.087 0.000 3.167 350 c HN 1.611 nan 8.230 nan 0.000 0.509 351 G N 2.471 111.249 108.800 -0.036 0.000 2.464 351 G HA2 -0.053 3.906 3.960 -0.000 0.000 0.216 351 G HA3 -0.053 3.906 3.960 -0.000 0.000 0.216 351 G C -0.485 174.322 174.900 -0.155 0.000 1.186 351 G CA 0.381 45.419 45.100 -0.103 0.000 1.010 351 G HN 0.716 nan 8.290 nan 0.000 0.585 352 D N 0.139 120.323 120.400 -0.361 0.000 2.722 352 D HA 0.495 5.135 4.640 -0.000 0.000 0.239 352 D C -0.171 175.808 176.300 -0.535 0.000 1.249 352 D CA -0.105 53.650 54.000 -0.408 0.000 0.830 352 D CB -0.211 40.328 40.800 -0.436 0.000 1.025 352 D HN 0.447 nan 8.370 nan 0.000 0.486 353 Y N 0.226 120.482 120.300 -0.074 0.000 2.602 353 Y HA 0.631 5.181 4.550 -0.000 0.000 0.342 353 Y C 0.248 176.148 175.900 -0.001 0.000 1.029 353 Y CA -1.983 56.105 58.100 -0.020 0.000 1.080 353 Y CB 1.446 39.918 38.460 0.020 0.000 1.284 353 Y HN 0.020 nan 8.280 nan 0.000 0.485 354 A N 0.980 123.917 122.820 0.195 0.000 2.396 354 A HA 0.422 4.742 4.320 -0.000 0.000 0.279 354 A C -0.476 177.158 177.584 0.084 0.000 1.165 354 A CA -0.528 51.566 52.037 0.096 0.000 0.824 354 A CB -0.936 18.100 19.000 0.060 0.000 1.100 354 A HN 0.813 nan 8.150 nan 0.000 0.516 355 c N 3.114 121.754 118.600 0.066 0.000 2.644 355 c HA 0.170 4.739 4.570 -0.000 0.000 0.417 355 c C 2.107 176.192 174.090 -0.009 0.000 1.304 355 c CA -0.420 55.935 56.329 0.042 0.000 2.035 355 c CB -0.640 41.920 42.510 0.082 0.000 2.673 355 c HN 0.849 nan 8.230 nan 0.000 0.602 356 I N 1.715 122.201 120.570 -0.141 0.000 2.423 356 I HA -0.191 3.979 4.170 -0.000 0.000 0.254 356 I C 1.881 178.034 176.117 0.061 0.000 1.151 356 I CA 1.502 62.682 61.300 -0.200 0.000 1.421 356 I CB -0.151 37.417 38.000 -0.720 0.000 1.079 356 I HN 0.645 nan 8.210 nan 0.000 0.431 357 M N 0.323 119.977 119.600 0.090 0.000 2.530 357 M HA 0.136 4.616 4.480 -0.000 0.000 0.231 357 M C 0.548 177.026 176.300 0.297 0.000 1.180 357 M CA 0.210 55.611 55.300 0.169 0.000 0.985 357 M CB -0.884 31.783 32.600 0.112 0.000 1.623 357 M HN 0.046 nan 8.290 nan 0.000 0.475 358 R N 1.705 122.322 120.500 0.196 0.000 2.643 358 R HA 0.064 4.404 4.340 -0.000 0.000 0.270 358 R C -1.257 175.056 176.300 0.022 0.000 1.061 358 R CA -0.996 55.164 56.100 0.099 0.000 1.107 358 R CB 0.126 30.444 30.300 0.030 0.000 0.999 358 R HN 0.025 nan 8.270 nan 0.000 0.460 359 P HA -0.116 nan 4.420 nan 0.000 0.236 359 P C -0.405 176.692 177.300 -0.338 0.000 1.172 359 P CA 1.252 64.000 63.100 -0.587 0.000 0.759 359 P CB 0.269 31.687 31.700 -0.470 0.000 0.843 360 E N -0.732 119.342 120.200 -0.212 0.000 2.372 360 E HA 0.284 4.634 4.350 -0.000 0.000 0.279 360 E C -1.316 175.187 176.600 -0.162 0.000 0.946 360 E CA -1.167 55.119 56.400 -0.190 0.000 0.769 360 E CB 1.323 30.944 29.700 -0.132 0.000 1.230 360 E HN -0.063 nan 8.360 nan 0.000 0.442 361 I N 0.886 121.343 120.570 -0.187 0.000 3.156 361 I HA 0.305 4.475 4.170 -0.000 0.000 0.306 361 I C -0.409 175.665 176.117 -0.071 0.000 1.048 361 I CA -0.155 61.062 61.300 -0.138 0.000 1.207 361 I CB 1.055 38.951 38.000 -0.173 0.000 1.456 361 I HN 0.587 nan 8.210 nan 0.000 0.616 362 S N 3.707 119.389 115.700 -0.030 0.000 2.569 362 S HA 0.412 4.882 4.470 -0.000 0.000 0.280 362 S C -2.041 172.572 174.600 0.022 0.000 1.111 362 S CA -0.819 57.380 58.200 -0.002 0.000 0.887 362 S CB 1.960 65.161 63.200 0.001 0.000 1.095 362 S HN 0.542 nan 8.310 nan 0.000 0.476 363 P HA -0.015 nan 4.420 nan 0.000 0.234 363 P C -0.321 176.994 177.300 0.026 0.000 1.167 363 P CA 0.744 63.864 63.100 0.033 0.000 0.763 363 P CB 0.061 31.776 31.700 0.026 0.000 0.835 364 E N 0.744 120.961 120.200 0.028 0.000 3.351 364 E HA 0.280 4.630 4.350 -0.000 0.000 0.220 364 E C -2.448 174.179 176.600 0.044 0.000 1.150 364 E CA -1.939 54.485 56.400 0.040 0.000 1.359 364 E CB 0.109 29.838 29.700 0.047 0.000 1.365 364 E HN 0.321 nan 8.360 nan 0.000 0.434 365 P HA -0.029 nan 4.420 nan 0.000 0.268 365 P C -0.331 176.960 177.300 -0.015 0.000 1.204 365 P CA 0.037 63.135 63.100 -0.003 0.000 0.768 365 P CB 1.111 32.799 31.700 -0.020 0.000 0.842 366 S N 0.286 115.966 115.700 -0.032 0.000 2.726 366 S HA 0.568 5.037 4.470 -0.000 0.000 0.308 366 S C 0.598 175.048 174.600 -0.249 0.000 1.115 366 S CA -0.139 58.010 58.200 -0.086 0.000 0.965 366 S CB 1.036 64.293 63.200 0.095 0.000 1.145 366 S HN 0.440 nan 8.310 nan 0.000 0.532 367 T N -1.313 112.922 114.554 -0.531 0.000 3.176 367 T HA 0.419 4.769 4.350 -0.000 0.000 0.263 367 T C -0.536 173.669 174.700 -0.826 0.000 1.021 367 T CA -0.437 61.270 62.100 -0.655 0.000 0.905 367 T CB -0.980 67.489 68.868 -0.666 0.000 1.057 367 T HN 0.425 nan 8.240 nan 0.000 0.558 368 F N 0.898 120.637 119.950 -0.353 0.000 2.425 368 F HA 0.686 5.213 4.527 -0.000 0.000 0.331 368 F C -0.002 175.583 175.800 -0.359 0.000 1.085 368 F CA -1.997 55.788 58.000 -0.358 0.000 1.028 368 F CB 0.869 39.692 39.000 -0.295 0.000 1.177 368 F HN -0.044 nan 8.300 nan 0.000 0.487 369 F N 0.695 120.569 119.950 -0.127 0.000 2.397 369 F HA 0.419 4.946 4.527 -0.000 0.000 0.331 369 F C 0.671 176.481 175.800 0.018 0.000 1.090 369 F CA -0.689 57.285 58.000 -0.044 0.000 1.065 369 F CB 1.526 40.541 39.000 0.026 0.000 1.184 369 F HN 0.498 nan 8.300 nan 0.000 0.499 370 S N 0.930 116.822 115.700 0.321 0.000 2.600 370 S HA 0.055 4.525 4.470 -0.000 0.000 0.265 370 S C 0.965 175.779 174.600 0.358 0.000 1.325 370 S CA -0.122 58.234 58.200 0.261 0.000 1.002 370 S CB 0.526 63.862 63.200 0.227 0.000 0.921 370 S HN 0.772 nan 8.310 nan 0.000 0.554 371 N N 0.631 119.537 118.700 0.343 0.000 2.289 371 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 371 N C 1.429 177.272 175.510 0.554 0.000 1.016 371 N CA 1.548 54.879 53.050 0.468 0.000 0.872 371 N CB -0.751 37.987 38.487 0.419 0.000 0.973 371 N HN 0.559 nan 8.380 nan 0.000 0.433 372 c N -0.449 118.392 118.600 0.402 0.000 2.432 372 c HA 0.016 4.586 4.570 -0.000 0.000 0.277 372 c C 2.908 177.193 174.090 0.325 0.000 1.249 372 c CA 0.972 57.512 56.329 0.352 0.000 1.725 372 c CB -1.333 41.323 42.510 0.243 0.000 2.028 372 c HN 0.577 nan 8.230 nan 0.000 0.477 373 S N -0.405 115.471 115.700 0.294 0.000 2.382 373 S HA -0.199 4.271 4.470 -0.000 0.000 0.228 373 S C 1.596 176.278 174.600 0.137 0.000 1.027 373 S CA 1.547 59.864 58.200 0.196 0.000 0.991 373 S CB -0.570 62.788 63.200 0.264 0.000 0.823 373 S HN 0.707 nan 8.310 nan 0.000 0.469 374 Y N 1.546 121.906 120.300 0.101 0.000 2.128 374 Y HA -0.176 4.374 4.550 -0.000 0.000 0.284 374 Y C 1.742 177.622 175.900 -0.033 0.000 1.154 374 Y CA 1.246 59.322 58.100 -0.039 0.000 1.149 374 Y CB -0.714 37.659 38.460 -0.144 0.000 0.976 374 Y HN 0.239 nan 8.280 nan 0.000 0.505 375 F N 0.410 120.373 119.950 0.022 0.000 2.206 375 F HA -0.098 4.429 4.527 -0.000 0.000 0.298 375 F C 2.578 178.376 175.800 -0.003 0.000 1.090 375 F CA 1.683 59.650 58.000 -0.054 0.000 1.323 375 F CB -0.556 38.473 39.000 0.049 0.000 1.028 375 F HN 0.117 nan 8.300 nan 0.000 0.492 376 E N -0.573 119.747 120.200 0.201 0.000 2.268 376 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 376 E C 2.243 178.888 176.600 0.076 0.000 0.995 376 E CA 1.004 57.486 56.400 0.137 0.000 0.836 376 E CB -0.201 29.570 29.700 0.118 0.000 0.763 376 E HN 0.464 nan 8.360 nan 0.000 0.491 377 C N -0.299 118.984 119.300 -0.027 0.000 2.489 377 C HA -0.058 4.402 4.460 -0.000 0.000 0.279 377 C C 2.173 177.069 174.990 -0.157 0.000 1.266 377 C CA 0.618 59.550 59.018 -0.142 0.000 1.707 377 C CB -1.430 26.116 27.740 -0.324 0.000 2.059 377 C HN 0.735 nan 8.230 nan 0.000 0.481 378 W N 0.862 122.073 121.300 -0.148 0.000 2.402 378 W HA -0.010 4.650 4.660 -0.000 0.000 0.286 378 W C 2.247 178.729 176.519 -0.061 0.000 1.221 378 W CA 1.494 58.747 57.345 -0.152 0.000 1.257 378 W CB -0.553 28.715 29.460 -0.321 0.000 1.120 378 W HN 0.432 nan 8.180 nan 0.000 0.551 379 D N -0.460 120.053 120.400 0.189 0.000 2.182 379 D HA -0.270 4.370 4.640 -0.000 0.000 0.201 379 D C 1.838 178.221 176.300 0.138 0.000 0.986 379 D CA 1.239 55.324 54.000 0.141 0.000 0.847 379 D CB -0.327 40.557 40.800 0.140 0.000 0.942 379 D HN 0.096 nan 8.370 nan 0.000 0.467 380 F N 0.498 120.477 119.950 0.047 0.000 2.206 380 F HA 0.091 4.618 4.527 -0.000 0.000 0.298 380 F C 1.857 177.695 175.800 0.063 0.000 1.090 380 F CA 0.916 58.976 58.000 0.099 0.000 1.323 380 F CB -0.185 38.843 39.000 0.047 0.000 1.028 380 F HN -0.025 nan 8.300 nan 0.000 0.492 381 I N -0.249 120.265 120.570 -0.095 0.000 2.394 381 I HA -0.300 3.870 4.170 -0.000 0.000 0.251 381 I C 2.013 178.066 176.117 -0.108 0.000 1.136 381 I CA 0.765 61.959 61.300 -0.177 0.000 1.425 381 I CB -0.326 37.580 38.000 -0.157 0.000 1.079 381 I HN 0.202 nan 8.210 nan 0.000 0.425 382 M N -0.117 119.467 119.600 -0.028 0.000 2.240 382 M HA -0.032 4.448 4.480 -0.000 0.000 0.257 382 M C 2.059 178.277 176.300 -0.136 0.000 1.107 382 M CA 1.409 56.684 55.300 -0.041 0.000 1.169 382 M CB -1.716 30.888 32.600 0.007 0.000 1.307 382 M HN 0.128 nan 8.290 nan 0.000 0.447 383 N N 0.321 118.911 118.700 -0.183 0.000 2.061 383 N HA -0.116 4.624 4.740 -0.000 0.000 0.193 383 N C 0.626 175.864 175.510 -0.453 0.000 1.030 383 N CA 1.111 53.967 53.050 -0.323 0.000 0.856 383 N CB -0.363 37.881 38.487 -0.406 0.000 1.023 383 N HN 0.417 nan 8.380 nan 0.000 0.424 384 H N -0.168 118.742 119.070 -0.266 0.000 2.525 384 H HA 0.230 4.786 4.556 -0.000 0.000 0.340 384 H C -0.210 174.876 175.328 -0.404 0.000 1.168 384 H CA -0.470 55.362 56.048 -0.361 0.000 1.247 384 H CB 0.927 30.343 29.762 -0.577 0.000 1.568 384 H HN 0.106 nan 8.280 nan 0.000 0.536 385 N N 2.978 121.574 118.700 -0.174 0.000 2.621 385 N HA 0.134 4.874 4.740 -0.000 0.000 0.237 385 N C -2.433 172.991 175.510 -0.143 0.000 0.997 385 N CA -1.596 51.359 53.050 -0.158 0.000 0.918 385 N CB 0.944 39.375 38.487 -0.094 0.000 1.122 385 N HN 0.305 nan 8.380 nan 0.000 0.510 386 P HA 0.084 nan 4.420 nan 0.000 0.237 386 P C 0.288 177.572 177.300 -0.027 0.000 1.788 386 P CA 0.093 63.150 63.100 -0.072 0.000 1.061 386 P CB 0.679 32.350 31.700 -0.048 0.000 1.967 387 E N 1.570 121.755 120.200 -0.024 0.000 2.049 387 E HA -0.232 4.118 4.350 -0.000 0.000 0.198 387 E C 1.649 178.260 176.600 0.018 0.000 1.007 387 E CA 2.122 58.519 56.400 -0.005 0.000 0.809 387 E CB -0.485 29.208 29.700 -0.011 0.000 0.749 387 E HN 0.536 nan 8.360 nan 0.000 0.450 388 c N 0.915 119.523 118.600 0.014 0.000 2.421 388 c HA -0.029 4.541 4.570 -0.000 0.000 0.296 388 c C 2.042 176.165 174.090 0.056 0.000 1.470 388 c CA 0.197 56.541 56.329 0.024 0.000 1.779 388 c CB -1.724 40.788 42.510 0.003 0.000 1.715 388 c HN 0.558 nan 8.230 nan 0.000 0.564 389 I N -2.660 117.951 120.570 0.068 0.000 3.914 389 I HA 0.303 4.472 4.170 -0.000 0.000 0.333 389 I C 1.506 177.730 176.117 0.178 0.000 1.449 389 I CA -0.088 61.281 61.300 0.116 0.000 1.135 389 I CB -0.319 37.724 38.000 0.071 0.000 1.073 389 I HN 0.219 nan 8.210 nan 0.000 0.401 390 L N 1.468 122.779 121.223 0.146 0.000 2.168 390 L HA 0.066 4.406 4.340 -0.000 0.000 0.203 390 L C 0.865 177.857 176.870 0.204 0.000 1.078 390 L CA 0.336 55.281 54.840 0.174 0.000 0.780 390 L CB -0.559 41.562 42.059 0.103 0.000 0.939 390 L HN 0.509 nan 8.230 nan 0.000 0.451 391 N N 1.009 119.779 118.700 0.116 0.000 2.458 391 N HA -0.042 4.697 4.740 -0.000 0.000 0.258 391 N C -0.328 175.141 175.510 -0.067 0.000 1.219 391 N CA -0.086 52.982 53.050 0.030 0.000 0.902 391 N CB 0.393 38.883 38.487 0.004 0.000 1.076 391 N HN 0.136 nan 8.380 nan 0.000 0.455 392 E N 1.913 121.944 120.200 -0.282 0.000 2.249 392 E HA 0.265 4.615 4.350 -0.000 0.000 0.280 392 E C -2.182 174.175 176.600 -0.405 0.000 1.016 392 E CA -2.231 53.696 56.400 -0.789 0.000 0.830 392 E CB 0.695 29.907 29.700 -0.815 0.000 1.081 392 E HN 0.570 nan 8.360 nan 0.000 0.395 393 P HA 0.121 nan 4.420 nan 0.000 0.280 393 P C -0.562 176.654 177.300 -0.140 0.000 1.244 393 P CA -0.154 62.851 63.100 -0.159 0.000 0.784 393 P CB 0.741 32.397 31.700 -0.074 0.000 0.913 394 L N 2.195 123.360 121.223 -0.097 0.000 2.416 394 L HA 0.174 4.514 4.340 -0.000 0.000 0.272 394 L C 2.228 179.048 176.870 -0.082 0.000 1.161 394 L CA -0.149 54.639 54.840 -0.087 0.000 0.845 394 L CB 0.070 42.088 42.059 -0.068 0.000 1.119 394 L HN 0.544 nan 8.230 nan 0.000 0.464 395 G N 0.841 109.584 108.800 -0.096 0.000 2.517 395 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.222 395 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.222 395 G C 1.253 176.112 174.900 -0.067 0.000 1.109 395 G CA 1.272 46.320 45.100 -0.087 0.000 0.746 395 G HN 0.764 nan 8.290 nan 0.000 0.576 396 T N -3.098 111.420 114.554 -0.059 0.000 3.219 396 T HA 0.198 4.548 4.350 -0.000 0.000 0.249 396 T C 1.077 175.756 174.700 -0.036 0.000 1.099 396 T CA 0.685 62.757 62.100 -0.046 0.000 0.988 396 T CB 0.306 69.150 68.868 -0.041 0.000 0.999 396 T HN 0.088 nan 8.240 nan 0.000 0.550 397 D N 0.759 121.137 120.400 -0.036 0.000 2.417 397 D HA 0.273 4.913 4.640 -0.000 0.000 0.207 397 D C 0.398 176.690 176.300 -0.014 0.000 1.075 397 D CA -0.016 53.971 54.000 -0.021 0.000 0.851 397 D CB 0.542 41.330 40.800 -0.021 0.000 0.976 397 D HN 0.485 nan 8.370 nan 0.000 0.505 398 I N 3.289 123.843 120.570 -0.028 0.000 2.269 398 I HA 0.124 4.294 4.170 -0.000 0.000 0.293 398 I C 1.954 178.045 176.117 -0.043 0.000 1.106 398 I CA -0.225 61.059 61.300 -0.027 0.000 1.248 398 I CB 0.739 38.715 38.000 -0.041 0.000 1.444 398 I HN -0.091 nan 8.210 nan 0.000 0.497 399 I N 2.175 122.733 120.570 -0.021 0.000 2.850 399 I HA -0.098 4.072 4.170 -0.000 0.000 0.266 399 I C 1.353 177.402 176.117 -0.113 0.000 1.257 399 I CA 0.191 61.476 61.300 -0.026 0.000 1.465 399 I CB -0.491 37.531 38.000 0.036 0.000 1.091 399 I HN 0.546 nan 8.210 nan 0.000 0.467 400 S N 1.477 117.075 115.700 -0.170 0.000 2.614 400 S HA 0.413 4.883 4.470 -0.000 0.000 0.265 400 S C -2.360 171.985 174.600 -0.426 0.000 1.303 400 S CA -1.209 56.711 58.200 -0.466 0.000 1.000 400 S CB 0.049 63.084 63.200 -0.275 0.000 0.935 400 S HN 0.040 nan 8.310 nan 0.000 0.551 401 P HA 0.268 nan 4.420 nan 0.000 0.271 401 P C -2.288 174.897 177.300 -0.192 0.000 1.226 401 P CA -1.141 61.771 63.100 -0.314 0.000 0.765 401 P CB -0.216 31.304 31.700 -0.300 0.000 0.835 402 P HA -0.031 nan 4.420 nan 0.000 0.262 402 P C -0.743 176.512 177.300 -0.076 0.000 1.199 402 P CA 0.588 63.630 63.100 -0.096 0.000 0.763 402 P CB 0.466 32.119 31.700 -0.080 0.000 0.790 403 V N 4.725 124.598 119.914 -0.067 0.000 2.540 403 V HA 0.189 4.309 4.120 -0.000 0.000 0.302 403 V C 0.360 176.428 176.094 -0.043 0.000 1.035 403 V CA -0.646 61.625 62.300 -0.048 0.000 0.873 403 V CB 2.155 33.954 31.823 -0.040 0.000 0.992 403 V HN 0.761 nan 8.190 nan 0.000 0.428 404 c N 4.714 123.295 118.600 -0.033 0.000 2.303 404 c HA 0.705 5.275 4.570 -0.000 0.000 0.341 404 c C 1.270 175.348 174.090 -0.021 0.000 1.244 404 c CA 0.801 57.114 56.329 -0.028 0.000 1.765 404 c CB -0.893 41.604 42.510 -0.021 0.000 2.379 404 c HN 1.448 nan 8.230 nan 0.000 0.530 405 G N 5.723 114.509 108.800 -0.023 0.000 2.183 405 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.168 405 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.168 405 G C 0.347 175.233 174.900 -0.023 0.000 1.008 405 G CA 0.278 45.369 45.100 -0.014 0.000 0.677 405 G HN 0.943 nan 8.290 nan 0.000 0.498 406 N N 1.012 119.684 118.700 -0.046 0.000 2.270 406 N HA 0.161 4.901 4.740 -0.000 0.000 0.198 406 N C 0.727 176.147 175.510 -0.151 0.000 1.117 406 N CA 0.690 53.697 53.050 -0.071 0.000 0.845 406 N CB -0.135 38.313 38.487 -0.066 0.000 0.980 406 N HN 0.639 nan 8.380 nan 0.000 0.486 407 E N -0.352 119.772 120.200 -0.126 0.000 2.971 407 E HA -0.176 4.173 4.350 -0.000 0.000 0.278 407 E C -0.939 175.514 176.600 -0.245 0.000 1.009 407 E CA 0.468 56.763 56.400 -0.175 0.000 0.862 407 E CB -1.579 27.993 29.700 -0.213 0.000 1.436 407 E HN 0.455 nan 8.360 nan 0.000 0.434 408 L N 1.304 122.424 121.223 -0.171 0.000 2.343 408 L HA 0.365 4.705 4.340 -0.000 0.000 0.278 408 L C -0.150 176.668 176.870 -0.086 0.000 0.996 408 L CA -1.065 53.709 54.840 -0.111 0.000 0.831 408 L CB 1.221 43.213 42.059 -0.113 0.000 1.232 408 L HN 0.003 nan 8.230 nan 0.000 0.413 409 L N 4.521 125.688 121.223 -0.092 0.000 2.638 409 L HA 0.127 4.467 4.340 -0.000 0.000 0.273 409 L C 0.030 176.813 176.870 -0.145 0.000 1.147 409 L CA 0.855 55.596 54.840 -0.164 0.000 0.941 409 L CB -0.097 41.738 42.059 -0.374 0.000 1.251 409 L HN 0.537 nan 8.230 nan 0.000 0.479 410 E N 2.842 122.974 120.200 -0.114 0.000 2.281 410 E HA 0.410 4.760 4.350 -0.000 0.000 0.262 410 E C -0.792 175.755 176.600 -0.088 0.000 0.933 410 E CA -1.329 55.013 56.400 -0.097 0.000 0.809 410 E CB 1.645 31.295 29.700 -0.084 0.000 1.242 410 E HN 0.286 nan 8.360 nan 0.000 0.418 411 V N 1.792 121.659 119.914 -0.078 0.000 2.584 411 V HA 0.105 4.225 4.120 -0.000 0.000 0.303 411 V C 1.299 177.359 176.094 -0.057 0.000 1.035 411 V CA 1.939 64.200 62.300 -0.065 0.000 1.172 411 V CB -0.030 31.758 31.823 -0.058 0.000 0.896 411 V HN 1.063 nan 8.190 nan 0.000 0.486 412 G N 3.614 112.385 108.800 -0.048 0.000 2.157 412 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.239 412 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.239 412 G C -0.106 174.771 174.900 -0.038 0.000 0.982 412 G CA 0.153 45.230 45.100 -0.038 0.000 0.650 412 G HN 0.703 nan 8.290 nan 0.000 0.527 413 E N -0.610 119.562 120.200 -0.047 0.000 2.256 413 E HA 0.516 4.866 4.350 -0.000 0.000 0.267 413 E C 0.497 177.070 176.600 -0.044 0.000 0.892 413 E CA -0.713 55.660 56.400 -0.044 0.000 0.775 413 E CB 1.642 31.308 29.700 -0.056 0.000 1.207 413 E HN 0.307 nan 8.360 nan 0.000 0.420 414 E N 0.291 120.477 120.200 -0.025 0.000 2.190 414 E HA 0.035 4.385 4.350 -0.000 0.000 0.191 414 E C 0.370 176.965 176.600 -0.007 0.000 0.978 414 E CA 0.607 57.002 56.400 -0.008 0.000 0.839 414 E CB 0.266 29.971 29.700 0.009 0.000 0.787 414 E HN 0.576 nan 8.360 nan 0.000 0.473 415 c N -1.401 117.194 118.600 -0.008 0.000 3.275 415 c HA 0.589 5.159 4.570 -0.000 0.000 0.340 415 c C -1.852 172.241 174.090 0.005 0.000 1.366 415 c CA -1.333 55.003 56.329 0.012 0.000 1.227 415 c CB 1.820 44.364 42.510 0.058 0.000 1.512 415 c HN 0.065 nan 8.230 nan 0.000 0.461 416 D N -0.047 120.366 120.400 0.023 0.000 2.613 416 D HA 0.404 5.043 4.640 -0.000 0.000 0.230 416 D C 0.215 176.537 176.300 0.038 0.000 1.365 416 D CA -0.088 53.920 54.000 0.012 0.000 0.976 416 D CB 1.768 42.556 40.800 -0.021 0.000 1.415 416 D HN 1.070 nan 8.370 nan 0.000 0.589 417 c N 2.273 120.897 118.600 0.040 0.000 3.104 417 c HA 0.816 5.386 4.570 -0.000 0.000 0.284 417 c C 1.142 175.263 174.090 0.050 0.000 1.326 417 c CA 0.373 56.736 56.329 0.057 0.000 1.725 417 c CB -0.810 41.739 42.510 0.065 0.000 2.156 417 c HN 0.798 nan 8.230 nan 0.000 0.638 418 G N 1.541 110.358 108.800 0.028 0.000 2.500 418 G HA2 0.188 4.148 3.960 -0.000 0.000 0.209 418 G HA3 0.188 4.148 3.960 -0.000 0.000 0.209 418 G C -0.183 174.734 174.900 0.028 0.000 1.283 418 G CA -0.037 45.080 45.100 0.029 0.000 0.960 418 G HN 1.325 nan 8.290 nan 0.000 0.528 419 T N -0.727 113.846 114.554 0.032 0.000 2.855 419 T HA 0.458 4.808 4.350 -0.000 0.000 0.314 419 T C -0.973 173.745 174.700 0.031 0.000 1.077 419 T CA 0.071 62.188 62.100 0.027 0.000 1.095 419 T CB 1.230 70.115 68.868 0.029 0.000 0.987 419 T HN 0.351 nan 8.240 nan 0.000 0.546 420 P HA -0.093 nan 4.420 nan 0.000 0.221 420 P C 1.506 178.825 177.300 0.032 0.000 1.145 420 P CA 0.883 63.999 63.100 0.026 0.000 0.795 420 P CB 0.122 31.834 31.700 0.021 0.000 0.775 421 E N -0.462 119.759 120.200 0.034 0.000 2.008 421 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 421 E C 1.460 178.088 176.600 0.047 0.000 0.986 421 E CA 1.095 57.517 56.400 0.038 0.000 0.807 421 E CB -1.062 28.660 29.700 0.037 0.000 0.766 421 E HN 0.476 nan 8.360 nan 0.000 0.450 422 N N 0.316 119.049 118.700 0.055 0.000 2.521 422 N HA -0.023 4.716 4.740 -0.000 0.000 0.188 422 N C 0.525 176.082 175.510 0.077 0.000 1.146 422 N CA -0.374 52.718 53.050 0.071 0.000 0.893 422 N CB 0.060 38.597 38.487 0.083 0.000 0.975 422 N HN 0.025 nan 8.380 nan 0.000 0.451 423 c N 2.043 120.682 118.600 0.064 0.000 2.651 423 c HA 0.048 4.618 4.570 -0.000 0.000 0.410 423 c C 0.688 174.817 174.090 0.066 0.000 1.372 423 c CA 0.023 56.391 56.329 0.064 0.000 1.707 423 c CB -0.324 42.216 42.510 0.050 0.000 2.501 423 c HN 0.364 nan 8.230 nan 0.000 0.598 424 Q N 4.248 124.095 119.800 0.078 0.000 2.158 424 Q HA 0.266 4.606 4.340 -0.000 0.000 0.306 424 Q C -0.517 175.525 176.000 0.070 0.000 0.878 424 Q CA 0.114 55.961 55.803 0.073 0.000 1.136 424 Q CB 0.101 28.891 28.738 0.086 0.000 1.253 424 Q HN 0.819 nan 8.270 nan 0.000 0.441 425 N N 1.314 120.053 118.700 0.065 0.000 2.540 425 N HA 0.076 4.816 4.740 -0.000 0.000 0.275 425 N C -0.287 175.252 175.510 0.049 0.000 1.053 425 N CA -0.091 52.996 53.050 0.061 0.000 0.876 425 N CB 1.268 39.798 38.487 0.072 0.000 1.284 425 N HN -0.038 nan 8.380 nan 0.000 0.518 426 E N 1.298 121.523 120.200 0.041 0.000 2.359 426 E HA 0.168 4.518 4.350 -0.000 0.000 0.187 426 E C 0.454 177.071 176.600 0.028 0.000 1.081 426 E CA -0.062 56.358 56.400 0.032 0.000 0.929 426 E CB -0.666 29.050 29.700 0.027 0.000 1.086 426 E HN 0.388 nan 8.360 nan 0.000 0.462 427 c N -0.799 117.822 118.600 0.035 0.000 3.070 427 c HA 0.412 4.982 4.570 -0.000 0.000 0.280 427 c C 0.552 174.661 174.090 0.031 0.000 1.264 427 c CA -0.675 55.672 56.329 0.031 0.000 1.690 427 c CB -0.517 42.019 42.510 0.042 0.000 2.049 427 c HN 0.630 nan 8.230 nan 0.000 0.636 428 c N 1.232 119.853 118.600 0.035 0.000 2.634 428 c HA 0.565 5.135 4.570 -0.000 0.000 0.313 428 c C -0.884 173.221 174.090 0.026 0.000 1.198 428 c CA -0.386 55.963 56.329 0.032 0.000 1.605 428 c CB 1.020 43.556 42.510 0.043 0.000 2.196 428 c HN 0.572 nan 8.230 nan 0.000 0.486 429 D N 2.407 122.818 120.400 0.019 0.000 2.564 429 D HA 0.442 5.082 4.640 -0.000 0.000 0.226 429 D C 1.120 177.430 176.300 0.016 0.000 1.149 429 D CA 0.456 54.466 54.000 0.016 0.000 0.994 429 D CB 0.768 41.574 40.800 0.010 0.000 1.029 429 D HN 0.713 nan 8.370 nan 0.000 0.517 430 A N 3.422 126.255 122.820 0.021 0.000 1.997 430 A HA -0.321 3.999 4.320 -0.000 0.000 0.226 430 A C 2.125 179.717 177.584 0.013 0.000 1.327 430 A CA 2.222 54.271 52.037 0.020 0.000 0.693 430 A CB -0.965 18.050 19.000 0.026 0.000 0.832 430 A HN 0.675 nan 8.150 nan 0.000 0.497 431 A N -1.796 121.031 122.820 0.011 0.000 2.252 431 A HA 0.288 4.608 4.320 -0.000 0.000 0.207 431 A C 1.599 179.185 177.584 0.003 0.000 1.194 431 A CA 1.936 53.977 52.037 0.007 0.000 0.809 431 A CB -0.653 18.352 19.000 0.008 0.000 0.814 431 A HN 1.203 nan 8.150 nan 0.000 0.482 432 T N -8.162 106.393 114.554 0.003 0.000 3.259 432 T HA 0.105 4.455 4.350 -0.000 0.000 0.287 432 T C 0.481 175.179 174.700 -0.004 0.000 0.874 432 T CA 0.618 62.717 62.100 -0.001 0.000 0.878 432 T CB -1.079 67.789 68.868 -0.000 0.000 1.223 432 T HN 0.692 nan 8.240 nan 0.000 0.630 433 c N 2.451 121.050 118.600 -0.001 0.000 4.356 433 c HA -0.084 4.486 4.570 -0.000 0.000 0.296 433 c C 0.094 174.182 174.090 -0.002 0.000 1.424 433 c CA 0.570 56.897 56.329 -0.003 0.000 2.000 433 c CB -2.163 40.338 42.510 -0.014 0.000 1.262 433 c HN 0.582 nan 8.230 nan 0.000 0.789 434 K N -0.007 120.395 120.400 0.003 0.000 2.259 434 K HA 0.746 5.066 4.320 -0.000 0.000 0.249 434 K C 0.283 176.888 176.600 0.008 0.000 0.942 434 K CA -0.544 55.745 56.287 0.003 0.000 0.816 434 K CB 1.223 33.723 32.500 0.000 0.000 1.155 434 K HN 0.313 nan 8.250 nan 0.000 0.428 435 L N 1.471 122.699 121.223 0.009 0.000 2.468 435 L HA 0.182 4.522 4.340 -0.000 0.000 0.253 435 L C 0.936 177.808 176.870 0.003 0.000 1.237 435 L CA -0.157 54.689 54.840 0.009 0.000 0.823 435 L CB 0.142 42.205 42.059 0.005 0.000 1.124 435 L HN 0.257 nan 8.230 nan 0.000 0.504 436 K N 0.167 120.567 120.400 0.001 0.000 2.123 436 K HA 0.328 4.648 4.320 -0.000 0.000 0.248 436 K C -0.499 176.094 176.600 -0.011 0.000 0.969 436 K CA -0.602 55.684 56.287 -0.002 0.000 0.882 436 K CB 1.605 34.106 32.500 0.002 0.000 1.080 436 K HN 0.477 nan 8.250 nan 0.000 0.441 437 S N 0.285 115.978 115.700 -0.011 0.000 2.558 437 S HA 0.184 4.654 4.470 -0.000 0.000 0.293 437 S C 1.301 175.887 174.600 -0.023 0.000 1.292 437 S CA 0.985 59.175 58.200 -0.017 0.000 1.063 437 S CB 0.201 63.393 63.200 -0.013 0.000 0.831 437 S HN 0.893 nan 8.310 nan 0.000 0.499 438 G N 2.455 111.235 108.800 -0.035 0.000 2.420 438 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.221 438 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.221 438 G C 0.251 175.113 174.900 -0.063 0.000 1.117 438 G CA -0.017 45.057 45.100 -0.043 0.000 0.657 438 G HN 1.320 nan 8.290 nan 0.000 0.512 439 S N 1.071 116.738 115.700 -0.054 0.000 2.505 439 S HA 0.588 5.058 4.470 -0.000 0.000 0.276 439 S C 0.945 175.475 174.600 -0.116 0.000 1.274 439 S CA 0.543 58.702 58.200 -0.068 0.000 1.053 439 S CB 1.877 65.060 63.200 -0.028 0.000 0.919 439 S HN 0.589 nan 8.310 nan 0.000 0.490 440 Q N 0.938 120.608 119.800 -0.216 0.000 2.096 440 Q HA 0.054 4.394 4.340 -0.000 0.000 0.197 440 Q C 0.802 176.669 176.000 -0.221 0.000 0.964 440 Q CA 1.135 56.690 55.803 -0.413 0.000 0.838 440 Q CB -0.078 28.063 28.738 -0.994 0.000 0.906 440 Q HN 0.989 nan 8.270 nan 0.000 0.444 441 c N -4.050 114.520 118.600 -0.049 0.000 3.108 441 c HA 0.916 5.486 4.570 -0.000 0.000 0.321 441 c C 0.705 174.864 174.090 0.114 0.000 1.357 441 c CA -0.418 56.005 56.329 0.157 0.000 1.562 441 c CB 1.212 43.959 42.510 0.396 0.000 2.003 441 c HN 0.335 nan 8.230 nan 0.000 0.460 442 G N -0.154 108.735 108.800 0.148 0.000 5.129 442 G HA2 0.496 4.456 3.960 -0.000 0.000 0.253 442 G HA3 0.496 4.456 3.960 -0.000 0.000 0.253 442 G C -0.455 174.562 174.900 0.194 0.000 0.912 442 G CA 0.318 45.495 45.100 0.128 0.000 0.729 442 G HN 1.283 nan 8.290 nan 0.000 0.373 443 H N -0.423 118.692 119.070 0.075 0.000 3.005 443 H HA 0.516 5.072 4.556 -0.000 0.000 0.311 443 H C -0.112 175.251 175.328 0.058 0.000 1.366 443 H CA 0.605 56.690 56.048 0.062 0.000 1.210 443 H CB 1.598 31.386 29.762 0.044 0.000 1.894 443 H HN 1.344 nan 8.280 nan 0.000 0.520 444 G N 2.050 110.459 108.800 -0.651 0.000 2.515 444 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 444 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 444 G C -0.435 174.363 174.900 -0.172 0.000 1.274 444 G CA 0.025 44.960 45.100 -0.276 0.000 0.874 444 G HN 0.521 nan 8.290 nan 0.000 0.631 445 D N -0.696 119.642 120.400 -0.103 0.000 2.340 445 D HA 0.176 4.816 4.640 -0.000 0.000 0.220 445 D C 1.456 177.742 176.300 -0.025 0.000 1.039 445 D CA 0.778 54.744 54.000 -0.057 0.000 0.866 445 D CB 0.109 40.882 40.800 -0.045 0.000 0.913 445 D HN 0.452 nan 8.370 nan 0.000 0.523 446 c N 0.329 118.917 118.600 -0.020 0.000 2.849 446 c HA 0.344 4.914 4.570 -0.000 0.000 0.271 446 c C 0.480 174.604 174.090 0.057 0.000 1.519 446 c CA -0.968 55.362 56.329 0.000 0.000 1.783 446 c CB -0.667 41.814 42.510 -0.049 0.000 2.869 446 c HN 0.296 nan 8.230 nan 0.000 0.527 447 c N 2.760 121.400 118.600 0.067 0.000 2.362 447 c HA 0.419 4.989 4.570 -0.000 0.000 0.309 447 c C -0.136 174.001 174.090 0.078 0.000 1.110 447 c CA -0.184 56.218 56.329 0.121 0.000 1.485 447 c CB -0.964 41.625 42.510 0.133 0.000 1.949 447 c HN 0.608 nan 8.230 nan 0.000 0.419 448 E N 3.350 123.598 120.200 0.080 0.000 2.035 448 E HA 0.226 4.576 4.350 -0.000 0.000 0.271 448 E C -0.339 176.289 176.600 0.048 0.000 0.953 448 E CA -0.018 56.414 56.400 0.053 0.000 0.777 448 E CB 0.663 30.390 29.700 0.047 0.000 1.104 448 E HN 0.722 nan 8.360 nan 0.000 0.408 449 Q N 1.394 121.218 119.800 0.041 0.000 2.455 449 Q HA -0.256 4.084 4.340 -0.000 0.000 0.343 449 Q C -0.180 175.837 176.000 0.028 0.000 1.458 449 Q CA 0.225 56.047 55.803 0.032 0.000 0.923 449 Q CB -1.561 27.191 28.738 0.024 0.000 1.149 449 Q HN 1.039 nan 8.270 nan 0.000 0.357 450 c N -1.750 116.872 118.600 0.037 0.000 4.498 450 c HA -0.260 4.310 4.570 -0.000 0.000 0.286 450 c C 0.697 174.784 174.090 -0.005 0.000 1.663 450 c CA 1.545 57.887 56.329 0.022 0.000 1.923 450 c CB -1.773 40.739 42.510 0.003 0.000 1.883 450 c HN 0.536 nan 8.230 nan 0.000 0.696 451 K N -0.646 119.768 120.400 0.024 0.000 2.259 451 K HA 0.615 4.934 4.320 -0.000 0.000 0.249 451 K C -0.160 176.536 176.600 0.159 0.000 0.942 451 K CA -0.631 55.660 56.287 0.007 0.000 0.816 451 K CB 1.113 33.616 32.500 0.005 0.000 1.155 451 K HN 0.273 nan 8.250 nan 0.000 0.428 452 F N 1.515 121.474 119.950 0.015 0.000 2.571 452 F HA -0.053 4.473 4.527 -0.000 0.000 0.384 452 F C 1.537 177.345 175.800 0.014 0.000 1.058 452 F CA -0.112 57.898 58.000 0.016 0.000 1.200 452 F CB 0.796 39.805 39.000 0.015 0.000 1.077 452 F HN 0.505 nan 8.300 nan 0.000 0.558 453 S N 3.950 119.765 115.700 0.191 0.000 2.560 453 S HA 0.040 4.510 4.470 -0.000 0.000 0.276 453 S C -0.000 174.656 174.600 0.094 0.000 1.350 453 S CA -0.452 57.810 58.200 0.103 0.000 1.024 453 S CB 0.433 63.670 63.200 0.060 0.000 0.864 453 S HN 0.489 nan 8.310 nan 0.000 0.536 454 K N 2.124 122.563 120.400 0.065 0.000 2.174 454 K HA 0.250 4.570 4.320 -0.000 0.000 0.275 454 K C 0.307 176.926 176.600 0.032 0.000 1.015 454 K CA -0.381 55.938 56.287 0.052 0.000 0.933 454 K CB 0.793 33.316 32.500 0.038 0.000 1.025 454 K HN 0.536 nan 8.250 nan 0.000 0.463 455 S N 0.946 116.662 115.700 0.026 0.000 2.599 455 S HA 0.051 4.520 4.470 -0.000 0.000 0.303 455 S C 1.336 175.931 174.600 -0.008 0.000 1.267 455 S CA 1.174 59.381 58.200 0.011 0.000 1.055 455 S CB 0.231 63.436 63.200 0.008 0.000 0.790 455 S HN 0.944 nan 8.310 nan 0.000 0.500 456 G N 2.031 110.821 108.800 -0.017 0.000 2.317 456 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.227 456 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.227 456 G C 0.407 175.242 174.900 -0.108 0.000 1.042 456 G CA 0.339 45.377 45.100 -0.104 0.000 0.623 456 G HN 1.223 nan 8.290 nan 0.000 0.509 457 T N -0.724 113.827 114.554 -0.004 0.000 2.724 457 T HA 0.409 4.758 4.350 -0.000 0.000 0.324 457 T C 0.203 174.997 174.700 0.158 0.000 1.071 457 T CA 0.819 62.943 62.100 0.040 0.000 1.061 457 T CB 1.709 70.601 68.868 0.040 0.000 0.990 457 T HN 0.656 nan 8.240 nan 0.000 0.543 458 E N -0.391 119.907 120.200 0.163 0.000 2.175 458 E HA 0.384 4.733 4.350 -0.000 0.000 0.278 458 E C 0.463 177.110 176.600 0.077 0.000 0.969 458 E CA -1.029 55.492 56.400 0.202 0.000 0.796 458 E CB 0.670 30.471 29.700 0.167 0.000 1.104 458 E HN 0.860 nan 8.360 nan 0.000 0.395 459 c N 3.219 121.837 118.600 0.031 0.000 3.270 459 c HA 0.469 5.039 4.570 -0.000 0.000 0.369 459 c C 0.865 174.944 174.090 -0.019 0.000 1.326 459 c CA -0.681 55.648 56.329 0.001 0.000 1.846 459 c CB -0.323 42.182 42.510 -0.009 0.000 2.534 459 c HN 0.636 nan 8.230 nan 0.000 0.649 460 R N 1.585 122.060 120.500 -0.042 0.000 2.680 460 R HA 0.580 4.920 4.340 -0.000 0.000 0.278 460 R C -0.139 176.134 176.300 -0.046 0.000 1.582 460 R CA -0.033 56.044 56.100 -0.039 0.000 1.177 460 R CB 0.887 31.160 30.300 -0.044 0.000 1.232 460 R HN 0.454 nan 8.270 nan 0.000 0.528 461 A N 2.192 124.998 122.820 -0.023 0.000 2.507 461 A HA 0.109 4.429 4.320 -0.000 0.000 0.235 461 A C 0.329 177.898 177.584 -0.025 0.000 1.070 461 A CA 0.216 52.241 52.037 -0.020 0.000 0.768 461 A CB 0.630 19.625 19.000 -0.010 0.000 1.011 461 A HN 0.688 nan 8.150 nan 0.000 0.502 462 S N 1.316 116.998 115.700 -0.030 0.000 2.564 462 S HA 0.292 4.762 4.470 -0.000 0.000 0.278 462 S C 0.938 175.505 174.600 -0.054 0.000 1.333 462 S CA 0.276 58.450 58.200 -0.042 0.000 1.048 462 S CB 0.018 63.190 63.200 -0.047 0.000 0.900 462 S HN 0.829 nan 8.310 nan 0.000 0.505 463 M N 2.945 122.497 119.600 -0.081 0.000 2.333 463 M HA 0.360 4.840 4.480 -0.000 0.000 0.257 463 M C 0.054 176.284 176.300 -0.117 0.000 1.078 463 M CA -0.454 54.788 55.300 -0.096 0.000 1.005 463 M CB 0.128 32.664 32.600 -0.107 0.000 1.444 463 M HN 0.633 nan 8.290 nan 0.000 0.496 464 S N -0.472 115.151 115.700 -0.128 0.000 2.688 464 S HA 0.109 4.579 4.470 -0.000 0.000 0.269 464 S C 0.065 174.578 174.600 -0.145 0.000 1.060 464 S CA -0.321 57.805 58.200 -0.123 0.000 0.844 464 S CB 0.410 63.528 63.200 -0.136 0.000 1.095 464 S HN 0.523 nan 8.310 nan 0.000 0.466 465 E N -0.583 119.547 120.200 -0.116 0.000 2.265 465 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 465 E C 1.157 177.548 176.600 -0.350 0.000 0.996 465 E CA 1.460 57.780 56.400 -0.134 0.000 0.832 465 E CB -0.602 29.076 29.700 -0.036 0.000 0.756 465 E HN 0.551 nan 8.360 nan 0.000 0.491 466 c N 1.290 119.685 118.600 -0.341 0.000 2.539 466 c HA 0.071 4.641 4.570 -0.000 0.000 0.271 466 c C 0.591 174.342 174.090 -0.566 0.000 1.412 466 c CA -0.068 55.957 56.329 -0.507 0.000 1.729 466 c CB -1.245 41.137 42.510 -0.214 0.000 1.739 466 c HN 0.362 nan 8.230 nan 0.000 0.570 467 D N 1.071 121.224 120.400 -0.412 0.000 2.438 467 D HA 0.242 4.882 4.640 -0.000 0.000 0.257 467 D C -2.415 173.824 176.300 -0.101 0.000 1.148 467 D CA -1.947 51.940 54.000 -0.188 0.000 0.902 467 D CB 1.119 41.797 40.800 -0.202 0.000 1.062 467 D HN 0.137 nan 8.370 nan 0.000 0.518 468 P HA 0.214 nan 4.420 nan 0.000 0.269 468 P C -0.557 176.722 177.300 -0.034 0.000 1.215 468 P CA -0.483 62.614 63.100 -0.004 0.000 0.780 468 P CB 0.991 32.740 31.700 0.081 0.000 0.898 469 A N 2.293 125.057 122.820 -0.094 0.000 2.316 469 A HA 0.341 4.661 4.320 -0.000 0.000 0.284 469 A C 0.078 177.402 177.584 -0.434 0.000 1.115 469 A CA -0.274 51.640 52.037 -0.205 0.000 0.812 469 A CB -0.119 18.775 19.000 -0.177 0.000 1.064 469 A HN 0.459 nan 8.150 nan 0.000 0.489 470 E N 1.501 121.491 120.200 -0.350 0.000 2.249 470 E HA 0.463 4.813 4.350 -0.000 0.000 0.280 470 E C -0.675 175.677 176.600 -0.414 0.000 1.016 470 E CA 0.007 56.207 56.400 -0.334 0.000 0.830 470 E CB 0.673 30.279 29.700 -0.155 0.000 1.081 470 E HN 0.605 nan 8.360 nan 0.000 0.395 471 H N 0.695 119.758 119.070 -0.012 0.000 2.524 471 H HA 0.332 4.887 4.556 -0.000 0.000 0.353 471 H C -0.269 175.044 175.328 -0.025 0.000 1.136 471 H CA -0.943 55.097 56.048 -0.014 0.000 1.193 471 H CB 0.865 30.623 29.762 -0.008 0.000 1.558 471 H HN 0.479 nan 8.280 nan 0.000 0.515 472 c N 1.997 120.655 118.600 0.097 0.000 2.679 472 c HA 0.035 4.605 4.570 -0.000 0.000 0.417 472 c C 1.997 176.101 174.090 0.023 0.000 1.302 472 c CA 0.187 56.529 56.329 0.022 0.000 1.973 472 c CB -0.136 42.380 42.510 0.010 0.000 2.715 472 c HN 0.919 nan 8.230 nan 0.000 0.628 473 T N -0.765 113.777 114.554 -0.021 0.000 3.054 473 T HA 0.459 4.809 4.350 -0.000 0.000 0.255 473 T C 0.835 175.521 174.700 -0.025 0.000 1.035 473 T CA 0.581 62.671 62.100 -0.016 0.000 0.941 473 T CB -0.339 68.511 68.868 -0.029 0.000 1.026 473 T HN 1.826 nan 8.240 nan 0.000 0.533 474 G N 1.637 110.413 108.800 -0.039 0.000 2.855 474 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.352 474 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.352 474 G C 0.039 174.895 174.900 -0.073 0.000 1.415 474 G CA 0.666 45.764 45.100 -0.004 0.000 0.871 474 G HN 0.959 nan 8.290 nan 0.000 0.543 475 Q N -1.757 118.075 119.800 0.053 0.000 2.284 475 Q HA -0.176 4.164 4.340 -0.000 0.000 0.205 475 Q C 0.394 176.107 176.000 -0.479 0.000 0.682 475 Q CA 3.373 59.202 55.803 0.043 0.000 1.401 475 Q CB -1.529 27.228 28.738 0.032 0.000 1.643 475 Q HN 2.364 nan 8.270 nan 0.000 0.717 476 S N -1.923 113.207 115.700 -0.949 0.000 2.543 476 S HA 0.589 5.059 4.470 -0.000 0.000 0.271 476 S C 0.382 174.420 174.600 -0.936 0.000 1.148 476 S CA 0.031 57.625 58.200 -1.011 0.000 0.914 476 S CB 1.269 64.228 63.200 -0.402 0.000 1.096 476 S HN 0.577 nan 8.310 nan 0.000 0.471 477 S N 2.259 117.509 115.700 -0.751 0.000 2.528 477 S HA 0.219 4.689 4.470 -0.000 0.000 0.219 477 S C 0.087 174.632 174.600 -0.092 0.000 0.985 477 S CA -0.024 58.044 58.200 -0.220 0.000 0.914 477 S CB -0.141 63.126 63.200 0.111 0.000 0.776 477 S HN 0.654 nan 8.310 nan 0.000 0.526 478 E N 1.378 121.510 120.200 -0.114 0.000 2.174 478 E HA 0.273 4.623 4.350 -0.000 0.000 0.282 478 E C -0.628 175.930 176.600 -0.070 0.000 0.992 478 E CA -0.641 55.730 56.400 -0.048 0.000 0.803 478 E CB 1.323 31.010 29.700 -0.021 0.000 1.090 478 E HN 0.285 nan 8.360 nan 0.000 0.396 479 c N 6.137 124.705 118.600 -0.052 0.000 2.634 479 c HA 0.174 4.744 4.570 -0.000 0.000 0.418 479 c C -1.586 172.468 174.090 -0.059 0.000 1.373 479 c CA -1.139 55.157 56.329 -0.054 0.000 1.756 479 c CB -0.556 41.925 42.510 -0.047 0.000 2.589 479 c HN 0.542 nan 8.230 nan 0.000 0.602 480 P HA 0.172 nan 4.420 nan 0.000 0.269 480 P C -0.515 176.738 177.300 -0.078 0.000 1.217 480 P CA 0.085 63.145 63.100 -0.067 0.000 0.783 480 P CB 0.393 32.057 31.700 -0.061 0.000 0.898 481 A N 1.537 124.306 122.820 -0.085 0.000 2.540 481 A HA -0.004 4.315 4.320 -0.000 0.000 0.239 481 A C 0.529 178.029 177.584 -0.140 0.000 1.061 481 A CA 0.006 51.978 52.037 -0.108 0.000 0.758 481 A CB -0.594 18.340 19.000 -0.111 0.000 0.991 481 A HN 0.569 nan 8.150 nan 0.000 0.502 482 D N 2.044 122.344 120.400 -0.167 0.000 2.389 482 D HA 0.288 4.928 4.640 -0.000 0.000 0.263 482 D C -0.322 175.734 176.300 -0.407 0.000 1.255 482 D CA 0.570 54.439 54.000 -0.218 0.000 0.914 482 D CB 0.172 40.862 40.800 -0.183 0.000 1.116 482 D HN 0.147 nan 8.370 nan 0.000 0.502 483 V N 5.001 124.733 119.914 -0.303 0.000 2.667 483 V HA 0.523 4.643 4.120 -0.000 0.000 0.308 483 V C 0.192 176.196 176.094 -0.150 0.000 1.048 483 V CA -0.670 61.435 62.300 -0.325 0.000 0.928 483 V CB 1.467 33.208 31.823 -0.138 0.000 1.004 483 V HN 0.425 nan 8.190 nan 0.000 0.444 484 F N 0.699 120.629 119.950 -0.034 0.000 2.631 484 F HA 0.546 5.073 4.527 -0.000 0.000 0.350 484 F C 0.738 176.579 175.800 0.067 0.000 1.080 484 F CA -1.151 56.830 58.000 -0.031 0.000 1.026 484 F CB 1.248 40.205 39.000 -0.071 0.000 1.347 484 F HN 0.441 nan 8.300 nan 0.000 0.501 485 H N 0.067 119.239 119.070 0.170 0.000 2.581 485 H HA 0.200 4.755 4.556 -0.000 0.000 0.369 485 H C -0.641 174.711 175.328 0.040 0.000 1.351 485 H CA -0.702 55.386 56.048 0.065 0.000 1.434 485 H CB 0.901 30.683 29.762 0.034 0.000 1.558 485 H HN 0.248 nan 8.280 nan 0.000 0.608 486 K N 1.370 121.833 120.400 0.107 0.000 2.174 486 K HA 0.090 4.410 4.320 -0.000 0.000 0.275 486 K C -0.259 176.302 176.600 -0.065 0.000 1.015 486 K CA -0.349 55.941 56.287 0.005 0.000 0.933 486 K CB 0.679 33.170 32.500 -0.015 0.000 1.025 486 K HN 0.541 nan 8.250 nan 0.000 0.463 487 N N 0.794 119.350 118.700 -0.241 0.000 2.357 487 N HA -0.077 4.663 4.740 -0.000 0.000 0.257 487 N C 0.860 176.113 175.510 -0.428 0.000 1.250 487 N CA 0.794 53.506 53.050 -0.562 0.000 0.862 487 N CB 0.405 38.088 38.487 -1.339 0.000 1.066 487 N HN 0.890 nan 8.380 nan 0.000 0.468 488 G N 1.168 109.896 108.800 -0.119 0.000 2.259 488 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 488 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 488 G C 0.110 175.129 174.900 0.198 0.000 1.001 488 G CA -0.209 44.981 45.100 0.150 0.000 0.627 488 G HN 0.667 nan 8.290 nan 0.000 0.501 489 Q N 2.864 122.753 119.800 0.150 0.000 2.289 489 Q HA 0.412 4.752 4.340 -0.000 0.000 0.273 489 Q C -1.917 174.231 176.000 0.246 0.000 1.029 489 Q CA -1.327 54.571 55.803 0.159 0.000 0.896 489 Q CB 0.809 29.594 28.738 0.078 0.000 1.182 489 Q HN 0.333 nan 8.270 nan 0.000 0.385 490 P HA -0.066 nan 4.420 nan 0.000 0.266 490 P C -0.581 176.767 177.300 0.079 0.000 1.193 490 P CA -0.058 63.143 63.100 0.167 0.000 0.770 490 P CB 0.431 32.205 31.700 0.124 0.000 0.836 491 c N -0.127 118.474 118.600 0.002 0.000 3.336 491 c HA 0.522 5.092 4.570 -0.000 0.000 0.339 491 c C 0.288 174.362 174.090 -0.027 0.000 1.468 491 c CA -1.267 55.073 56.329 0.018 0.000 1.287 491 c CB 0.027 42.569 42.510 0.054 0.000 1.682 491 c HN 0.567 nan 8.230 nan 0.000 0.451 492 L N 1.079 122.301 121.223 -0.003 0.000 3.895 492 L HA -0.172 4.168 4.340 -0.000 0.000 0.511 492 L C 0.498 177.313 176.870 -0.091 0.000 1.222 492 L CA 1.375 56.216 54.840 0.001 0.000 0.739 492 L CB -1.550 40.544 42.059 0.059 0.000 1.425 492 L HN 1.155 nan 8.230 nan 0.000 0.817 493 D N 1.705 122.024 120.400 -0.134 0.000 2.737 493 D HA -0.252 4.387 4.640 -0.000 0.000 0.233 493 D C 0.620 176.675 176.300 -0.409 0.000 1.155 493 D CA 1.531 55.373 54.000 -0.263 0.000 0.667 493 D CB -0.466 40.134 40.800 -0.333 0.000 1.060 493 D HN 0.790 nan 8.370 nan 0.000 0.427 494 N N -1.151 117.398 118.700 -0.252 0.000 2.758 494 N HA -0.274 4.466 4.740 -0.000 0.000 0.248 494 N C -0.035 175.358 175.510 -0.195 0.000 1.076 494 N CA 1.232 54.144 53.050 -0.231 0.000 0.696 494 N CB -1.697 36.679 38.487 -0.185 0.000 0.979 494 N HN 0.646 nan 8.380 nan 0.000 0.550 495 Y N -1.184 119.010 120.300 -0.176 0.000 2.527 495 Y HA 0.365 4.915 4.550 -0.000 0.000 0.247 495 Y C 1.557 177.322 175.900 -0.225 0.000 1.138 495 Y CA -0.154 57.846 58.100 -0.166 0.000 1.228 495 Y CB 1.464 39.861 38.460 -0.107 0.000 1.252 495 Y HN 0.218 nan 8.280 nan 0.000 0.531 496 G N -0.718 107.969 108.800 -0.188 0.000 2.601 496 G HA2 0.447 4.407 3.960 -0.000 0.000 0.291 496 G HA3 0.447 4.407 3.960 -0.000 0.000 0.291 496 G C -2.258 172.400 174.900 -0.404 0.000 1.456 496 G CA -0.604 44.335 45.100 -0.268 0.000 0.804 496 G HN -0.035 nan 8.290 nan 0.000 0.499 497 Y N -0.259 120.106 120.300 0.110 0.000 2.377 497 Y HA 0.451 5.001 4.550 -0.000 0.000 0.339 497 Y C 1.060 177.034 175.900 0.123 0.000 1.011 497 Y CA -0.810 57.362 58.100 0.121 0.000 1.093 497 Y CB 1.585 40.142 38.460 0.161 0.000 1.201 497 Y HN 0.607 nan 8.280 nan 0.000 0.455 498 c N 2.713 121.456 118.600 0.238 0.000 2.665 498 c HA 0.006 4.576 4.570 -0.000 0.000 0.416 498 c C -0.256 173.926 174.090 0.153 0.000 1.305 498 c CA 0.100 56.516 56.329 0.145 0.000 1.903 498 c CB -1.225 41.353 42.510 0.112 0.000 2.704 498 c HN 0.762 nan 8.230 nan 0.000 0.629 499 Y N 2.215 122.489 120.300 -0.043 0.000 2.298 499 Y HA 0.275 4.825 4.550 -0.000 0.000 0.322 499 Y C 0.334 176.182 175.900 -0.087 0.000 1.138 499 Y CA -0.671 57.394 58.100 -0.058 0.000 1.127 499 Y CB 0.167 38.653 38.460 0.043 0.000 1.178 499 Y HN 0.958 nan 8.280 nan 0.000 0.428 500 N N 4.473 122.849 118.700 -0.541 0.000 2.708 500 N HA -0.270 4.469 4.740 -0.000 0.000 0.251 500 N C 0.925 176.083 175.510 -0.586 0.000 1.017 500 N CA 1.015 53.833 53.050 -0.386 0.000 0.742 500 N CB -0.819 37.352 38.487 -0.528 0.000 0.943 500 N HN 1.301 nan 8.380 nan 0.000 0.539 501 G N -1.642 106.721 108.800 -0.728 0.000 2.195 501 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.246 501 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.246 501 G C -0.086 174.459 174.900 -0.591 0.000 0.984 501 G CA 0.302 44.652 45.100 -1.251 0.000 0.633 501 G HN 0.487 nan 8.290 nan 0.000 0.525 502 N N -1.077 117.437 118.700 -0.310 0.000 2.453 502 N HA 0.547 5.287 4.740 -0.000 0.000 0.290 502 N C -0.836 174.658 175.510 -0.027 0.000 1.250 502 N CA 0.084 53.047 53.050 -0.145 0.000 0.815 502 N CB 1.793 40.234 38.487 -0.077 0.000 1.381 502 N HN 0.238 nan 8.380 nan 0.000 0.510 503 c N 3.035 121.639 118.600 0.007 0.000 2.842 503 c HA 0.342 4.911 4.570 -0.000 0.000 0.311 503 c C -2.305 171.832 174.090 0.077 0.000 1.312 503 c CA -1.729 54.632 56.329 0.054 0.000 1.651 503 c CB -1.241 41.295 42.510 0.043 0.000 1.826 503 c HN 0.436 nan 8.230 nan 0.000 0.491 504 P HA 0.155 nan 4.420 nan 0.000 0.262 504 P C -0.537 176.793 177.300 0.051 0.000 1.199 504 P CA 1.010 64.147 63.100 0.062 0.000 0.763 504 P CB 0.259 31.981 31.700 0.035 0.000 0.790 505 I N -0.484 120.115 120.570 0.049 0.000 2.865 505 I HA 0.346 4.516 4.170 -0.000 0.000 0.302 505 I C 1.302 177.440 176.117 0.035 0.000 1.140 505 I CA -1.553 59.760 61.300 0.022 0.000 1.021 505 I CB 1.998 39.987 38.000 -0.018 0.000 1.233 505 I HN 0.044 nan 8.210 nan 0.000 0.427 506 M N 1.628 121.259 119.600 0.051 0.000 2.279 506 M HA -0.134 4.346 4.480 -0.000 0.000 0.264 506 M C 1.730 178.121 176.300 0.151 0.000 1.062 506 M CA 1.916 57.276 55.300 0.100 0.000 1.099 506 M CB -0.276 32.402 32.600 0.130 0.000 1.394 506 M HN 0.838 nan 8.290 nan 0.000 0.426 507 Y N 0.574 120.870 120.300 -0.007 0.000 2.163 507 Y HA -0.247 4.303 4.550 -0.000 0.000 0.288 507 Y C 2.344 178.307 175.900 0.105 0.000 1.136 507 Y CA 1.730 59.845 58.100 0.025 0.000 1.147 507 Y CB -0.710 37.703 38.460 -0.078 0.000 0.987 507 Y HN 0.236 nan 8.280 nan 0.000 0.509 508 H N 0.172 119.094 119.070 -0.247 0.000 2.389 508 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 508 H C 2.179 177.415 175.328 -0.153 0.000 1.081 508 H CA 1.708 57.569 56.048 -0.311 0.000 1.345 508 H CB -0.360 29.291 29.762 -0.184 0.000 1.393 508 H HN 0.521 nan 8.280 nan 0.000 0.520 509 Q N -0.543 119.274 119.800 0.028 0.000 2.084 509 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 509 Q C 2.657 178.597 176.000 -0.101 0.000 0.978 509 Q CA 1.560 57.334 55.803 -0.048 0.000 0.844 509 Q CB -0.086 28.631 28.738 -0.036 0.000 0.898 509 Q HN 0.368 nan 8.270 nan 0.000 0.426 510 c N -0.387 118.209 118.600 -0.007 0.000 2.432 510 c HA -0.183 4.387 4.570 -0.000 0.000 0.277 510 c C 2.456 176.514 174.090 -0.053 0.000 1.249 510 c CA 0.744 57.097 56.329 0.040 0.000 1.725 510 c CB -0.998 41.638 42.510 0.210 0.000 2.028 510 c HN 0.564 nan 8.230 nan 0.000 0.477 511 Y N 2.235 122.427 120.300 -0.180 0.000 2.128 511 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 511 Y C 2.195 177.963 175.900 -0.219 0.000 1.154 511 Y CA 2.189 60.162 58.100 -0.210 0.000 1.149 511 Y CB -0.524 37.737 38.460 -0.332 0.000 0.976 511 Y HN 0.353 nan 8.280 nan 0.000 0.505 512 D N 0.059 120.360 120.400 -0.164 0.000 2.182 512 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 512 D C 2.192 178.232 176.300 -0.433 0.000 0.986 512 D CA 1.489 55.333 54.000 -0.260 0.000 0.847 512 D CB -0.201 40.491 40.800 -0.179 0.000 0.942 512 D HN 0.433 nan 8.370 nan 0.000 0.467 513 L N -1.264 119.605 121.223 -0.589 0.000 2.127 513 L HA 0.008 4.348 4.340 -0.000 0.000 0.203 513 L C 1.346 177.637 176.870 -0.965 0.000 1.080 513 L CA 0.768 55.030 54.840 -0.964 0.000 0.768 513 L CB -0.016 41.145 42.059 -1.495 0.000 0.924 513 L HN -0.034 nan 8.230 nan 0.000 0.444 514 F N -1.110 118.722 119.950 -0.197 0.000 2.798 514 F HA 0.471 4.998 4.527 0.000 0.000 0.328 514 F C 1.189 176.829 175.800 -0.267 0.000 1.098 514 F CA 0.010 57.905 58.000 -0.175 0.000 1.172 514 F CB 0.339 39.277 39.000 -0.102 0.000 1.072 514 F HN 0.054 nan 8.300 nan 0.000 0.555 515 G N 1.444 110.007 108.800 -0.394 0.000 2.681 515 G HA2 0.053 4.013 3.960 -0.000 0.000 0.220 515 G HA3 0.053 4.013 3.960 -0.000 0.000 0.220 515 G C 0.010 174.725 174.900 -0.309 0.000 1.353 515 G CA -0.829 43.919 45.100 -0.587 0.000 0.872 515 G HN 0.635 nan 8.290 nan 0.000 0.557 516 A N -0.498 122.288 122.820 -0.056 0.000 2.536 516 A HA 0.455 4.774 4.320 -0.000 0.000 0.234 516 A C 1.229 178.833 177.584 0.033 0.000 1.076 516 A CA 1.589 53.724 52.037 0.164 0.000 0.769 516 A CB -0.216 18.890 19.000 0.177 0.000 1.020 516 A HN 1.959 nan 8.150 nan 0.000 0.508 517 D N -1.637 118.763 120.400 -0.000 0.000 2.837 517 D HA -0.135 4.505 4.640 -0.000 0.000 0.230 517 D C -0.526 175.572 176.300 -0.338 0.000 1.152 517 D CA 1.427 55.366 54.000 -0.102 0.000 0.736 517 D CB -1.884 38.954 40.800 0.063 0.000 1.084 517 D HN 0.403 nan 8.370 nan 0.000 0.429 518 V N 0.578 120.154 119.914 -0.563 0.000 2.531 518 V HA 0.577 4.697 4.120 -0.000 0.000 0.301 518 V C -0.168 175.638 176.094 -0.480 0.000 1.034 518 V CA -0.766 61.329 62.300 -0.342 0.000 0.865 518 V CB 1.698 33.515 31.823 -0.010 0.000 0.995 518 V HN 0.048 nan 8.190 nan 0.000 0.424 519 Y N 0.424 120.864 120.300 0.233 0.000 2.665 519 Y HA 0.472 5.022 4.550 -0.000 0.000 0.336 519 Y C 0.419 176.437 175.900 0.198 0.000 1.085 519 Y CA -1.292 56.951 58.100 0.239 0.000 1.096 519 Y CB 1.011 39.513 38.460 0.069 0.000 1.301 519 Y HN 0.664 nan 8.280 nan 0.000 0.493 520 E N 1.623 122.043 120.200 0.366 0.000 2.585 520 E HA 0.278 4.628 4.350 -0.000 0.000 0.252 520 E C -0.183 176.584 176.600 0.278 0.000 0.981 520 E CA -0.174 56.407 56.400 0.301 0.000 0.943 520 E CB 0.490 30.327 29.700 0.229 0.000 0.923 520 E HN 0.694 nan 8.360 nan 0.000 0.486 521 A N 5.032 128.036 122.820 0.305 0.000 2.455 521 A HA 0.024 4.344 4.320 -0.000 0.000 0.244 521 A C 0.199 177.949 177.584 0.277 0.000 1.099 521 A CA -0.167 52.009 52.037 0.232 0.000 0.786 521 A CB 0.288 19.367 19.000 0.131 0.000 1.051 521 A HN 0.772 nan 8.150 nan 0.000 0.508 522 E N 0.110 120.413 120.200 0.172 0.000 2.343 522 E HA 0.060 4.410 4.350 -0.000 0.000 0.269 522 E C 0.301 177.029 176.600 0.213 0.000 1.047 522 E CA -0.382 56.103 56.400 0.141 0.000 0.874 522 E CB 0.607 30.348 29.700 0.068 0.000 1.033 522 E HN 0.598 nan 8.360 nan 0.000 0.409 523 D N 1.445 121.941 120.400 0.161 0.000 2.268 523 D HA -0.272 4.368 4.640 -0.000 0.000 0.189 523 D C 1.843 178.249 176.300 0.177 0.000 1.010 523 D CA 2.535 56.627 54.000 0.153 0.000 0.862 523 D CB -0.543 40.281 40.800 0.040 0.000 0.943 523 D HN 0.544 nan 8.370 nan 0.000 0.451 524 S N 0.199 115.945 115.700 0.078 0.000 2.393 524 S HA -0.311 4.159 4.470 -0.000 0.000 0.234 524 S C 2.416 176.998 174.600 -0.030 0.000 1.064 524 S CA 1.779 59.993 58.200 0.023 0.000 1.088 524 S CB -1.220 61.979 63.200 -0.001 0.000 0.939 524 S HN 0.435 nan 8.310 nan 0.000 0.448 525 c N 0.770 119.329 118.600 -0.067 0.000 2.403 525 c HA -0.050 4.520 4.570 -0.000 0.000 0.277 525 c C 2.372 176.065 174.090 -0.662 0.000 1.248 525 c CA 0.920 57.044 56.329 -0.342 0.000 1.762 525 c CB -1.978 40.324 42.510 -0.347 0.000 2.014 525 c HN 0.641 nan 8.230 nan 0.000 0.486 526 F N 1.042 120.790 119.950 -0.337 0.000 2.451 526 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 526 F C 2.277 177.987 175.800 -0.150 0.000 1.101 526 F CA 0.977 58.848 58.000 -0.214 0.000 1.436 526 F CB -0.551 38.465 39.000 0.027 0.000 1.074 526 F HN 0.258 nan 8.300 nan 0.000 0.553 527 E N 0.392 120.597 120.200 0.009 0.000 2.267 527 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 527 E C 2.115 178.695 176.600 -0.034 0.000 0.998 527 E CA 0.701 57.103 56.400 0.003 0.000 0.830 527 E CB -0.416 29.275 29.700 -0.014 0.000 0.751 527 E HN 0.472 nan 8.360 nan 0.000 0.491 528 R N 0.510 120.931 120.500 -0.131 0.000 2.159 528 R HA -0.086 4.254 4.340 -0.000 0.000 0.237 528 R C 1.799 178.104 176.300 0.007 0.000 1.131 528 R CA 1.133 57.185 56.100 -0.080 0.000 0.982 528 R CB -0.329 29.906 30.300 -0.107 0.000 0.868 528 R HN 0.300 nan 8.270 nan 0.000 0.453 529 N N 0.368 119.119 118.700 0.085 0.000 2.520 529 N HA -0.137 4.603 4.740 -0.000 0.000 0.185 529 N C 1.336 176.882 175.510 0.061 0.000 1.068 529 N CA 0.373 53.489 53.050 0.110 0.000 0.911 529 N CB 0.111 38.712 38.487 0.190 0.000 0.961 529 N HN 0.331 nan 8.380 nan 0.000 0.446 530 Q N 0.589 120.412 119.800 0.039 0.000 2.311 530 Q HA -0.028 4.312 4.340 -0.000 0.000 0.203 530 Q C 1.432 177.438 176.000 0.009 0.000 0.954 530 Q CA 0.683 56.504 55.803 0.030 0.000 0.885 530 Q CB 0.174 28.925 28.738 0.022 0.000 0.963 530 Q HN 0.359 nan 8.270 nan 0.000 0.471 531 K N -0.090 120.295 120.400 -0.024 0.000 2.032 531 K HA -0.124 4.196 4.320 -0.000 0.000 0.209 531 K C 1.210 177.786 176.600 -0.039 0.000 1.048 531 K CA 1.054 57.309 56.287 -0.054 0.000 0.927 531 K CB -0.173 32.248 32.500 -0.131 0.000 0.712 531 K HN 0.373 nan 8.250 nan 0.000 0.441 532 G N 2.457 111.248 108.800 -0.015 0.000 2.160 532 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 532 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 532 G C -0.072 174.808 174.900 -0.034 0.000 1.022 532 G CA 0.484 45.599 45.100 0.025 0.000 0.741 532 G HN 0.467 nan 8.290 nan 0.000 0.508 533 N N -0.085 118.543 118.700 -0.121 0.000 2.452 533 N HA 0.389 5.128 4.740 -0.000 0.000 0.296 533 N C 1.614 177.049 175.510 -0.124 0.000 1.304 533 N CA -0.102 52.856 53.050 -0.152 0.000 0.956 533 N CB -0.427 37.889 38.487 -0.284 0.000 1.106 533 N HN 0.606 nan 8.380 nan 0.000 0.555 534 Y N -1.558 118.629 120.300 -0.187 0.000 2.333 534 Y HA -0.088 4.462 4.550 -0.000 0.000 0.290 534 Y C 1.508 177.363 175.900 -0.074 0.000 1.144 534 Y CA 1.225 59.239 58.100 -0.143 0.000 1.228 534 Y CB -0.600 37.743 38.460 -0.195 0.000 0.985 534 Y HN 0.584 nan 8.280 nan 0.000 0.542 535 Y N -0.826 119.119 120.300 -0.592 0.000 2.452 535 Y HA 0.596 5.146 4.550 -0.000 0.000 0.262 535 Y C 0.925 176.734 175.900 -0.152 0.000 1.089 535 Y CA -0.911 56.971 58.100 -0.363 0.000 1.262 535 Y CB -0.275 37.728 38.460 -0.763 0.000 1.236 535 Y HN -0.034 nan 8.280 nan 0.000 0.512 536 G N 1.502 110.023 108.800 -0.463 0.000 2.377 536 G HA2 0.511 4.471 3.960 -0.000 0.000 0.316 536 G HA3 0.511 4.471 3.960 -0.000 0.000 0.316 536 G C -1.455 173.483 174.900 0.063 0.000 1.115 536 G CA -0.217 44.772 45.100 -0.185 0.000 0.952 536 G HN 0.525 nan 8.290 nan 0.000 0.441 537 Y N -1.402 118.898 120.300 0.000 0.000 2.891 537 Y HA 0.430 4.980 4.550 -0.000 0.000 0.361 537 Y C -0.084 175.841 175.900 0.042 0.000 1.255 537 Y CA -1.238 56.868 58.100 0.010 0.000 1.103 537 Y CB 0.262 38.721 38.460 -0.002 0.000 1.454 537 Y HN 0.213 nan 8.280 nan 0.000 0.449 538 c N 0.513 119.236 118.600 0.205 0.000 2.820 538 c HA 0.517 5.087 4.570 -0.000 0.000 0.323 538 c C 0.201 174.384 174.090 0.155 0.000 1.279 538 c CA 0.885 57.262 56.329 0.079 0.000 1.790 538 c CB -0.412 42.102 42.510 0.007 0.000 2.328 538 c HN 0.825 nan 8.230 nan 0.000 0.579 539 R N -0.620 120.075 120.500 0.324 0.000 2.829 539 R HA 0.341 4.681 4.340 -0.000 0.000 0.283 539 R C -2.136 174.268 176.300 0.173 0.000 1.013 539 R CA -0.724 55.529 56.100 0.255 0.000 0.848 539 R CB 0.571 30.927 30.300 0.093 0.000 1.291 539 R HN 0.004 nan 8.270 nan 0.000 0.496 540 K N 0.162 120.624 120.400 0.105 0.000 2.203 540 K HA 0.367 4.687 4.320 -0.000 0.000 0.251 540 K C -0.317 176.297 176.600 0.024 0.000 0.944 540 K CA -0.907 55.392 56.287 0.019 0.000 0.829 540 K CB 2.042 34.543 32.500 0.002 0.000 1.125 540 K HN 0.504 nan 8.250 nan 0.000 0.430 541 E N 0.936 121.142 120.200 0.010 0.000 2.933 541 E HA 0.046 4.395 4.350 -0.000 0.000 0.246 541 E C 0.014 176.620 176.600 0.010 0.000 1.066 541 E CA 0.126 56.535 56.400 0.016 0.000 0.984 541 E CB -0.176 29.536 29.700 0.020 0.000 2.860 541 E HN 0.514 nan 8.360 nan 0.000 0.586 542 N N 1.242 119.947 118.700 0.008 0.000 2.683 542 N HA 0.135 4.875 4.740 -0.000 0.000 0.256 542 N C 0.526 176.038 175.510 0.003 0.000 1.270 542 N CA 0.381 53.437 53.050 0.009 0.000 0.954 542 N CB 0.115 38.608 38.487 0.010 0.000 1.289 542 N HN 0.442 nan 8.380 nan 0.000 0.508 543 G N 0.512 109.312 108.800 -0.000 0.000 2.189 543 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.267 543 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.267 543 G C -0.054 174.827 174.900 -0.031 0.000 0.975 543 G CA -0.149 44.948 45.100 -0.006 0.000 0.644 543 G HN 0.429 nan 8.290 nan 0.000 0.537 544 N N 0.673 119.352 118.700 -0.036 0.000 2.524 544 N HA 0.419 5.159 4.740 -0.000 0.000 0.283 544 N C -0.021 175.422 175.510 -0.113 0.000 1.142 544 N CA -0.109 52.904 53.050 -0.061 0.000 0.984 544 N CB 0.920 39.387 38.487 -0.033 0.000 1.155 544 N HN 0.327 nan 8.380 nan 0.000 0.467 545 K N 1.418 121.701 120.400 -0.195 0.000 2.276 545 K HA 0.328 4.648 4.320 -0.000 0.000 0.285 545 K C -0.246 176.286 176.600 -0.113 0.000 1.062 545 K CA -0.374 55.712 56.287 -0.337 0.000 0.918 545 K CB 0.842 32.942 32.500 -0.667 0.000 1.055 545 K HN 0.346 nan 8.250 nan 0.000 0.477 546 I N 6.362 126.928 120.570 -0.006 0.000 2.315 546 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 546 I C -1.960 174.228 176.117 0.117 0.000 1.006 546 I CA -3.311 58.021 61.300 0.054 0.000 1.265 546 I CB 0.664 38.699 38.000 0.058 0.000 1.387 546 I HN 0.397 nan 8.210 nan 0.000 0.475 547 P HA 0.039 nan 4.420 nan 0.000 0.268 547 P C -0.250 177.102 177.300 0.085 0.000 1.204 547 P CA -0.196 62.960 63.100 0.094 0.000 0.768 547 P CB 0.548 32.280 31.700 0.053 0.000 0.842 548 c N 2.743 121.394 118.600 0.085 0.000 2.676 548 c HA 0.365 4.935 4.570 -0.000 0.000 0.416 548 c C 1.537 175.669 174.090 0.069 0.000 1.299 548 c CA -0.107 56.265 56.329 0.071 0.000 2.048 548 c CB -0.339 42.215 42.510 0.073 0.000 2.713 548 c HN 0.643 nan 8.230 nan 0.000 0.624 549 A N 4.350 127.218 122.820 0.080 0.000 2.366 549 A HA 0.383 4.703 4.320 -0.000 0.000 0.249 549 A C -1.141 176.479 177.584 0.061 0.000 1.084 549 A CA -0.792 51.289 52.037 0.073 0.000 0.794 549 A CB -0.291 18.764 19.000 0.093 0.000 1.034 549 A HN 0.712 nan 8.150 nan 0.000 0.491 550 P HA -0.185 nan 4.420 nan 0.000 0.217 550 P C 1.096 178.416 177.300 0.033 0.000 1.148 550 P CA 1.708 64.830 63.100 0.036 0.000 0.834 550 P CB 0.271 31.986 31.700 0.025 0.000 0.783 551 E N -0.974 119.248 120.200 0.037 0.000 2.435 551 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 551 E C 0.497 177.120 176.600 0.038 0.000 1.029 551 E CA 0.476 56.893 56.400 0.029 0.000 0.865 551 E CB -0.054 29.661 29.700 0.026 0.000 0.833 551 E HN 0.220 nan 8.360 nan 0.000 0.510 552 D N 0.070 120.507 120.400 0.062 0.000 2.395 552 D HA -0.024 4.616 4.640 -0.000 0.000 0.213 552 D C 1.583 177.911 176.300 0.046 0.000 1.110 552 D CA 0.002 54.039 54.000 0.062 0.000 0.835 552 D CB 0.823 41.681 40.800 0.096 0.000 0.965 552 D HN 0.024 nan 8.370 nan 0.000 0.505 553 V N 1.152 121.100 119.914 0.055 0.000 2.439 553 V HA -0.248 3.872 4.120 -0.000 0.000 0.253 553 V C 2.019 178.201 176.094 0.147 0.000 1.074 553 V CA 1.692 64.057 62.300 0.108 0.000 1.076 553 V CB -0.157 31.727 31.823 0.103 0.000 0.664 553 V HN 0.077 nan 8.190 nan 0.000 0.461 554 K N -1.176 119.197 120.400 -0.046 0.000 2.525 554 K HA 0.060 4.380 4.320 -0.000 0.000 0.192 554 K C 1.265 177.838 176.600 -0.045 0.000 1.029 554 K CA 0.765 56.895 56.287 -0.263 0.000 1.029 554 K CB -0.379 31.879 32.500 -0.404 0.000 0.814 554 K HN 0.546 nan 8.250 nan 0.000 0.503 555 c N -0.335 118.283 118.600 0.031 0.000 3.000 555 c HA 0.284 4.854 4.570 -0.000 0.000 0.286 555 c C 1.509 175.613 174.090 0.024 0.000 1.343 555 c CA -0.818 55.522 56.329 0.019 0.000 1.742 555 c CB -0.318 42.182 42.510 -0.016 0.000 2.200 555 c HN 0.417 nan 8.230 nan 0.000 0.621 556 G N 0.653 109.502 108.800 0.080 0.000 3.329 556 G HA2 0.365 4.324 3.960 -0.000 0.000 0.180 556 G HA3 0.365 4.324 3.960 -0.000 0.000 0.180 556 G C -0.087 174.778 174.900 -0.058 0.000 1.640 556 G CA -0.274 44.822 45.100 -0.008 0.000 1.018 556 G HN 0.317 nan 8.290 nan 0.000 0.581 557 R N -0.226 120.200 120.500 -0.122 0.000 2.442 557 R HA 0.325 4.665 4.340 -0.000 0.000 0.291 557 R C -0.241 175.853 176.300 -0.344 0.000 1.069 557 R CA -0.455 55.485 56.100 -0.268 0.000 1.022 557 R CB 0.261 30.378 30.300 -0.305 0.000 0.976 557 R HN 0.283 nan 8.270 nan 0.000 0.443 558 L N 5.227 126.255 121.223 -0.325 0.000 2.397 558 L HA 0.316 4.656 4.340 -0.000 0.000 0.271 558 L C -1.335 175.142 176.870 -0.655 0.000 1.148 558 L CA 0.321 55.026 54.840 -0.226 0.000 0.825 558 L CB 0.327 42.353 42.059 -0.056 0.000 1.117 558 L HN 0.626 nan 8.230 nan 0.000 0.456 559 Y N 3.075 123.128 120.300 -0.412 0.000 2.485 559 Y HA 0.642 5.192 4.550 0.000 0.000 0.345 559 Y C -0.073 175.759 175.900 -0.114 0.000 0.998 559 Y CA -0.571 57.292 58.100 -0.395 0.000 1.059 559 Y CB 1.903 39.901 38.460 -0.770 0.000 1.234 559 Y HN 0.598 nan 8.280 nan 0.000 0.461 560 c N 1.617 120.277 118.600 0.100 0.000 2.898 560 c HA 0.422 4.992 4.570 -0.000 0.000 0.304 560 c C -0.533 173.596 174.090 0.066 0.000 1.237 560 c CA -1.620 54.793 56.329 0.139 0.000 1.529 560 c CB 1.915 44.561 42.510 0.226 0.000 2.021 560 c HN 0.736 nan 8.230 nan 0.000 0.474 561 K N 1.790 122.264 120.400 0.122 0.000 2.284 561 K HA 0.174 4.494 4.320 -0.000 0.000 0.287 561 K C -0.781 175.857 176.600 0.063 0.000 1.081 561 K CA 0.165 56.514 56.287 0.103 0.000 0.910 561 K CB 0.350 32.961 32.500 0.185 0.000 1.088 561 K HN 0.730 nan 8.250 nan 0.000 0.478 562 D N 3.936 124.327 120.400 -0.015 0.000 2.428 562 D HA 0.105 4.745 4.640 -0.000 0.000 0.221 562 D C -0.280 176.018 176.300 -0.003 0.000 1.123 562 D CA -0.076 53.892 54.000 -0.055 0.000 0.869 562 D CB 0.324 41.034 40.800 -0.150 0.000 1.032 562 D HN 0.552 nan 8.370 nan 0.000 0.506 563 N N 1.362 120.085 118.700 0.039 0.000 2.214 563 N HA 0.011 4.751 4.740 -0.000 0.000 0.214 563 N C 0.254 175.794 175.510 0.051 0.000 1.132 563 N CA -0.368 52.726 53.050 0.072 0.000 0.856 563 N CB 0.583 39.172 38.487 0.170 0.000 1.020 563 N HN 0.326 nan 8.380 nan 0.000 0.509 564 S N 1.117 116.826 115.700 0.015 0.000 2.589 564 S HA 0.241 4.710 4.470 -0.000 0.000 0.265 564 S C -2.505 172.103 174.600 0.012 0.000 1.342 564 S CA -1.158 57.051 58.200 0.015 0.000 1.005 564 S CB 0.323 63.521 63.200 -0.003 0.000 0.909 564 S HN -0.093 nan 8.310 nan 0.000 0.555 565 P HA 0.109 nan 4.420 nan 0.000 0.259 565 P C 1.110 178.411 177.300 0.002 0.000 1.155 565 P CA 1.841 64.948 63.100 0.012 0.000 0.759 565 P CB -0.386 31.321 31.700 0.012 0.000 0.753 566 G N 1.447 110.248 108.800 0.003 0.000 2.205 566 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.269 566 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.269 566 G C 0.344 175.238 174.900 -0.010 0.000 0.977 566 G CA 0.339 45.437 45.100 -0.003 0.000 0.652 566 G HN 0.571 nan 8.290 nan 0.000 0.539 567 Q N -0.224 119.569 119.800 -0.013 0.000 2.221 567 Q HA 0.671 5.011 4.340 -0.000 0.000 0.242 567 Q C 0.342 176.328 176.000 -0.022 0.000 0.940 567 Q CA -0.487 55.300 55.803 -0.026 0.000 0.896 567 Q CB 0.840 29.553 28.738 -0.041 0.000 1.226 567 Q HN 0.239 nan 8.270 nan 0.000 0.463 568 N N 2.368 121.048 118.700 -0.033 0.000 2.666 568 N HA 0.081 4.821 4.740 -0.000 0.000 0.253 568 N C -1.841 173.645 175.510 -0.040 0.000 1.621 568 N CA -0.083 52.951 53.050 -0.027 0.000 0.785 568 N CB 0.275 38.751 38.487 -0.019 0.000 1.332 568 N HN 0.453 nan 8.380 nan 0.000 0.514 569 N N 2.136 120.801 118.700 -0.057 0.000 2.626 569 N HA 0.340 5.080 4.740 -0.000 0.000 0.249 569 N C -1.606 173.865 175.510 -0.065 0.000 1.021 569 N CA -1.721 51.283 53.050 -0.076 0.000 0.886 569 N CB 1.816 40.230 38.487 -0.122 0.000 1.149 569 N HN 0.205 nan 8.380 nan 0.000 0.517 570 P HA -0.014 nan 4.420 nan 0.000 0.218 570 P C -0.103 177.182 177.300 -0.026 0.000 1.149 570 P CA 0.750 63.836 63.100 -0.023 0.000 0.817 570 P CB 0.342 32.029 31.700 -0.022 0.000 0.785 571 c N 1.326 119.898 118.600 -0.046 0.000 3.075 571 c HA 0.384 4.954 4.570 -0.000 0.000 0.262 571 c C 0.579 174.669 174.090 -0.000 0.000 1.371 571 c CA -1.179 55.138 56.329 -0.019 0.000 1.594 571 c CB -1.322 41.134 42.510 -0.091 0.000 1.849 571 c HN 0.151 nan 8.230 nan 0.000 0.475 572 K N 2.791 123.132 120.400 -0.098 0.000 2.322 572 K HA 0.475 4.795 4.320 -0.000 0.000 0.283 572 K C -0.045 176.446 176.600 -0.183 0.000 1.042 572 K CA 0.220 56.352 56.287 -0.259 0.000 0.958 572 K CB 0.484 32.639 32.500 -0.575 0.000 0.984 572 K HN 0.570 nan 8.250 nan 0.000 0.473 573 M N 5.893 125.397 119.600 -0.161 0.000 2.501 573 M HA 0.353 4.833 4.480 -0.000 0.000 0.293 573 M C -2.099 174.263 176.300 0.103 0.000 1.192 573 M CA -0.680 54.552 55.300 -0.113 0.000 0.886 573 M CB 1.524 33.880 32.600 -0.405 0.000 1.710 573 M HN 0.670 nan 8.290 nan 0.000 0.457 574 F N 5.061 125.071 119.950 0.100 0.000 2.411 574 F HA 0.606 5.133 4.527 -0.000 0.000 0.352 574 F C -2.144 173.704 175.800 0.079 0.000 1.123 574 F CA -0.394 57.679 58.000 0.122 0.000 1.044 574 F CB 0.891 39.923 39.000 0.054 0.000 1.135 574 F HN 0.617 nan 8.300 nan 0.000 0.461 575 Y N 5.141 125.223 120.300 -0.363 0.000 2.386 575 Y HA 0.530 5.080 4.550 0.000 0.000 0.334 575 Y C -1.426 174.348 175.900 -0.210 0.000 1.002 575 Y CA -0.587 57.455 58.100 -0.096 0.000 1.068 575 Y CB 1.726 40.204 38.460 0.030 0.000 1.203 575 Y HN 0.532 nan 8.280 nan 0.000 0.443 576 S N 4.598 119.807 115.700 -0.818 0.000 2.619 576 S HA 0.210 4.680 4.470 -0.000 0.000 0.280 576 S C -0.132 174.120 174.600 -0.580 0.000 1.150 576 S CA -0.696 57.184 58.200 -0.533 0.000 0.978 576 S CB 0.506 63.635 63.200 -0.119 0.000 1.041 576 S HN 0.881 nan 8.310 nan 0.000 0.485 577 N N 3.702 122.189 118.700 -0.355 0.000 2.571 577 N HA -0.082 4.657 4.740 -0.000 0.000 0.189 577 N C 0.926 176.416 175.510 -0.033 0.000 1.154 577 N CA 0.610 53.587 53.050 -0.122 0.000 0.907 577 N CB -0.118 38.418 38.487 0.082 0.000 0.977 577 N HN 0.856 nan 8.380 nan 0.000 0.449 578 E N -0.087 120.093 120.200 -0.033 0.000 2.107 578 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 578 E C -0.679 175.945 176.600 0.039 0.000 0.982 578 E CA 0.795 57.210 56.400 0.025 0.000 0.809 578 E CB 0.174 29.906 29.700 0.053 0.000 0.756 578 E HN 0.268 nan 8.360 nan 0.000 0.459 579 D N -0.643 119.776 120.400 0.031 0.000 2.319 579 D HA 0.050 4.690 4.640 -0.000 0.000 0.237 579 D C -0.371 175.967 176.300 0.062 0.000 1.353 579 D CA -0.163 53.878 54.000 0.069 0.000 0.992 579 D CB 0.827 41.680 40.800 0.088 0.000 1.368 579 D HN 0.033 nan 8.370 nan 0.000 0.564 580 E N 0.836 121.085 120.200 0.082 0.000 2.333 580 E HA -0.196 4.153 4.350 -0.000 0.000 0.198 580 E C 0.826 177.571 176.600 0.242 0.000 1.007 580 E CA 0.581 57.065 56.400 0.140 0.000 0.845 580 E CB 0.198 30.080 29.700 0.302 0.000 0.766 580 E HN 0.533 nan 8.360 nan 0.000 0.507 581 H N 1.593 120.731 119.070 0.113 0.000 2.428 581 H HA 0.058 4.614 4.556 -0.000 0.000 0.296 581 H C 0.670 176.016 175.328 0.029 0.000 1.062 581 H CA 0.849 56.946 56.048 0.082 0.000 1.350 581 H CB 0.185 29.975 29.762 0.047 0.000 1.403 581 H HN -0.169 nan 8.280 nan 0.000 0.533 582 K N -0.040 120.362 120.400 0.004 0.000 2.447 582 K HA 0.098 4.418 4.320 -0.000 0.000 0.281 582 K C 0.541 177.072 176.600 -0.115 0.000 1.031 582 K CA 0.911 57.117 56.287 -0.136 0.000 1.019 582 K CB -0.132 32.275 32.500 -0.156 0.000 0.918 582 K HN 0.643 nan 8.250 nan 0.000 0.476 583 G N 3.365 112.021 108.800 -0.239 0.000 2.195 583 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.224 583 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.224 583 G C -0.011 174.785 174.900 -0.172 0.000 0.990 583 G CA -0.247 44.766 45.100 -0.145 0.000 0.639 583 G HN 0.471 nan 8.290 nan 0.000 0.514 584 M N 1.321 120.764 119.600 -0.262 0.000 2.274 584 M HA 0.440 4.920 4.480 -0.000 0.000 0.344 584 M C 1.082 177.248 176.300 -0.223 0.000 1.161 584 M CA -0.606 54.530 55.300 -0.272 0.000 1.126 584 M CB 1.267 33.639 32.600 -0.381 0.000 1.522 584 M HN -0.046 nan 8.290 nan 0.000 0.461 585 V N 4.354 124.198 119.914 -0.116 0.000 2.617 585 V HA -0.062 4.058 4.120 -0.000 0.000 0.304 585 V C 0.759 176.800 176.094 -0.089 0.000 1.040 585 V CA -0.034 62.233 62.300 -0.055 0.000 1.149 585 V CB -0.374 31.463 31.823 0.022 0.000 0.914 585 V HN 0.633 nan 8.190 nan 0.000 0.487 586 L N 8.125 129.298 121.223 -0.085 0.000 2.467 586 L HA 0.259 4.599 4.340 -0.000 0.000 0.270 586 L C -1.727 175.068 176.870 -0.126 0.000 1.205 586 L CA -1.400 53.389 54.840 -0.085 0.000 0.828 586 L CB 0.358 42.376 42.059 -0.068 0.000 1.101 586 L HN 0.472 nan 8.230 nan 0.000 0.479 587 P HA 0.058 nan 4.420 nan 0.000 0.271 587 P C 0.574 177.456 177.300 -0.697 0.000 1.218 587 P CA 0.330 63.239 63.100 -0.318 0.000 0.780 587 P CB 1.052 32.614 31.700 -0.230 0.000 0.901 588 G N 1.193 109.677 108.800 -0.526 0.000 2.179 588 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.260 588 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.260 588 G C 0.221 175.083 174.900 -0.064 0.000 0.977 588 G CA 0.157 45.028 45.100 -0.383 0.000 0.641 588 G HN 0.654 nan 8.290 nan 0.000 0.533 589 T N 0.834 115.346 114.554 -0.070 0.000 2.869 589 T HA 0.402 4.752 4.350 -0.000 0.000 0.295 589 T C 0.581 175.322 174.700 0.068 0.000 0.987 589 T CA 0.047 62.153 62.100 0.011 0.000 1.109 589 T CB 1.486 70.347 68.868 -0.012 0.000 0.932 589 T HN 0.427 nan 8.240 nan 0.000 0.518 590 K N 2.025 122.486 120.400 0.101 0.000 2.395 590 K HA 0.045 4.365 4.320 -0.000 0.000 0.283 590 K C 0.969 177.600 176.600 0.052 0.000 1.068 590 K CA -0.363 56.006 56.287 0.136 0.000 1.039 590 K CB -0.261 32.268 32.500 0.049 0.000 0.924 590 K HN 0.861 nan 8.250 nan 0.000 0.468 591 c N 2.452 121.078 118.600 0.043 0.000 2.906 591 c HA 0.689 5.259 4.570 -0.000 0.000 0.274 591 c C 0.568 174.630 174.090 -0.047 0.000 1.257 591 c CA -0.129 56.178 56.329 -0.037 0.000 1.695 591 c CB -1.213 41.269 42.510 -0.045 0.000 1.958 591 c HN 0.751 nan 8.230 nan 0.000 0.619 592 A N 0.212 123.042 122.820 0.016 0.000 2.415 592 A HA 0.490 4.810 4.320 -0.000 0.000 0.294 592 A C -1.938 175.695 177.584 0.082 0.000 1.019 592 A CA -0.358 51.689 52.037 0.017 0.000 0.603 592 A CB -0.516 18.483 19.000 -0.002 0.000 1.382 592 A HN 0.169 nan 8.150 nan 0.000 0.483 593 D N 0.187 120.629 120.400 0.070 0.000 2.401 593 D HA 0.437 5.077 4.640 -0.000 0.000 0.254 593 D C 1.325 177.701 176.300 0.127 0.000 1.192 593 D CA 2.159 56.225 54.000 0.111 0.000 0.885 593 D CB 0.314 41.157 40.800 0.072 0.000 1.147 593 D HN 2.010 nan 8.370 nan 0.000 0.478 594 G N 3.209 112.143 108.800 0.224 0.000 2.179 594 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.257 594 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.257 594 G C 0.146 175.044 174.900 -0.004 0.000 1.010 594 G CA 0.483 45.641 45.100 0.097 0.000 0.736 594 G HN 0.571 nan 8.290 nan 0.000 0.513 595 K N -1.131 119.322 120.400 0.088 0.000 2.426 595 K HA 0.774 5.094 4.320 -0.000 0.000 0.251 595 K C -1.012 175.642 176.600 0.089 0.000 0.941 595 K CA -0.870 55.434 56.287 0.028 0.000 0.808 595 K CB 3.293 35.806 32.500 0.021 0.000 1.265 595 K HN 0.248 nan 8.250 nan 0.000 0.432 596 V N 1.346 121.273 119.914 0.022 0.000 3.007 596 V HA 0.369 4.489 4.120 -0.000 0.000 0.311 596 V C -1.165 174.929 176.094 0.000 0.000 1.120 596 V CA -0.702 61.635 62.300 0.060 0.000 0.980 596 V CB 1.961 33.837 31.823 0.088 0.000 1.033 596 V HN 0.966 nan 8.190 nan 0.000 0.429 597 c N 3.475 122.072 118.600 -0.005 0.000 2.435 597 c HA 0.703 5.273 4.570 -0.000 0.000 0.375 597 c C 0.501 174.560 174.090 -0.051 0.000 1.281 597 c CA -0.093 56.220 56.329 -0.027 0.000 1.963 597 c CB 0.139 42.626 42.510 -0.038 0.000 2.490 597 c HN 0.864 nan 8.230 nan 0.000 0.557 598 S N 3.626 119.315 115.700 -0.019 0.000 2.776 598 S HA 0.362 4.832 4.470 -0.000 0.000 0.284 598 S C -0.117 174.510 174.600 0.045 0.000 1.160 598 S CA -0.419 57.779 58.200 -0.004 0.000 1.051 598 S CB 0.081 63.257 63.200 -0.040 0.000 1.037 598 S HN 1.010 nan 8.310 nan 0.000 0.485 599 N N 3.475 122.193 118.700 0.030 0.000 2.725 599 N HA -0.207 4.533 4.740 -0.000 0.000 0.251 599 N C 0.755 176.205 175.510 -0.100 0.000 1.031 599 N CA 0.839 53.902 53.050 0.023 0.000 0.720 599 N CB -1.193 37.346 38.487 0.087 0.000 0.930 599 N HN 1.631 nan 8.380 nan 0.000 0.543 600 G N -0.288 108.442 108.800 -0.116 0.000 2.155 600 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.257 600 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.257 600 G C -0.328 174.347 174.900 -0.375 0.000 0.983 600 G CA 0.817 45.783 45.100 -0.224 0.000 0.676 600 G HN 0.754 nan 8.290 nan 0.000 0.528 601 H N -1.218 117.854 119.070 0.004 0.000 2.572 601 H HA 0.528 5.084 4.556 -0.000 0.000 0.359 601 H C -0.153 175.160 175.328 -0.025 0.000 1.134 601 H CA -0.351 55.693 56.048 -0.007 0.000 1.187 601 H CB 1.689 31.444 29.762 -0.013 0.000 1.597 601 H HN 0.244 nan 8.280 nan 0.000 0.524 602 c N 5.394 124.058 118.600 0.107 0.000 2.200 602 c HA 0.502 5.072 4.570 -0.000 0.000 0.328 602 c C 0.407 174.510 174.090 0.021 0.000 1.148 602 c CA -0.367 55.984 56.329 0.036 0.000 1.624 602 c CB -2.047 40.469 42.510 0.010 0.000 2.167 602 c HN 0.544 nan 8.230 nan 0.000 0.484 603 V N 3.163 123.073 119.914 -0.008 0.000 3.113 603 V HA 0.688 4.807 4.120 -0.000 0.000 0.316 603 V C -0.467 175.584 176.094 -0.071 0.000 1.125 603 V CA -0.775 61.499 62.300 -0.044 0.000 1.026 603 V CB 1.548 33.331 31.823 -0.066 0.000 1.080 603 V HN 0.687 nan 8.190 nan 0.000 0.444 604 D N 0.965 121.316 120.400 -0.081 0.000 2.425 604 D HA 0.327 4.967 4.640 -0.000 0.000 0.247 604 D C 1.299 177.508 176.300 -0.151 0.000 1.147 604 D CA -0.009 53.934 54.000 -0.096 0.000 0.879 604 D CB 1.526 42.281 40.800 -0.075 0.000 1.179 604 D HN 0.460 nan 8.370 nan 0.000 0.456 605 V N 2.319 122.109 119.914 -0.206 0.000 2.324 605 V HA -0.327 3.793 4.120 -0.000 0.000 0.250 605 V C 2.399 178.395 176.094 -0.163 0.000 1.060 605 V CA 2.070 64.206 62.300 -0.273 0.000 1.042 605 V CB -1.054 30.408 31.823 -0.602 0.000 0.650 605 V HN 0.745 nan 8.190 nan 0.000 0.450 606 A N -0.368 122.373 122.820 -0.131 0.000 2.032 606 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 606 A C 2.240 179.793 177.584 -0.052 0.000 1.165 606 A CA 2.602 54.600 52.037 -0.066 0.000 0.645 606 A CB -0.703 18.265 19.000 -0.054 0.000 0.807 606 A HN 0.549 nan 8.150 nan 0.000 0.453 607 T N -1.600 112.901 114.554 -0.089 0.000 3.044 607 T HA 0.424 4.774 4.350 -0.000 0.000 0.260 607 T C 1.777 176.386 174.700 -0.152 0.000 1.019 607 T CA 0.433 62.481 62.100 -0.086 0.000 0.921 607 T CB 0.343 69.167 68.868 -0.074 0.000 1.053 607 T HN 0.513 nan 8.240 nan 0.000 0.533 608 A N 0.557 123.210 122.820 -0.278 0.000 2.015 608 A HA 0.166 4.486 4.320 -0.000 0.000 0.219 608 A C 0.415 177.569 177.584 -0.716 0.000 1.163 608 A CA 1.054 52.748 52.037 -0.572 0.000 0.646 608 A CB -0.247 18.226 19.000 -0.879 0.000 0.806 608 A HN 0.565 nan 8.150 nan 0.000 0.448 609 Y N 0.000 120.311 120.300 0.019 0.000 2.660 609 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 609 Y CA 0.000 58.118 58.100 0.031 0.000 1.940 609 Y CB 0.000 38.487 38.460 0.045 0.000 1.050 609 Y HN 0.000 nan 8.280 nan 0.000 0.758