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 3bql_1_A DATA FIRST_RESID 1218 DATA SEQUENCE ScDLNATNYI RGcQSKTYDG KIFPGKGGEK QWIcKDTIIH GDTNGAcIPP DATA SEQUENCE RTQNLcVGEL WDKSYGGRSN IKNDTKELLK EKIKNAIHKE TELLYEYHDT DATA SEQUENCE GTAIISKNDK KGQKGKNDPN GLPKGFcHAV QRSFIDYKNM ILGTSVNIYE DATA SEQUENCE HIGKLQEDIK KIIEKGTPQQ XXXXXXXXXS TENVNAWWKG IEREMWDAVR DATA SEQUENCE cAITKINKKN NNSIFNGDEc GVSPPTXXXX DQSVSWFKEW GEQFcIERLR DATA SEQUENCE YEQNIREAcT XXXXXEKKcI NSXXXXGDKI QGAcKRKcEK YKKYISEKKQ DATA SEQUENCE EWDKQKTKYE NKYVGKSASD LLKENYPEcI SANFDFIFND NIEYKTYYPY DATA SEQUENCE GDYSSIcScE 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 1218 S HA 0.000 nan 4.470 nan 0.000 0.327 1218 S C 0.000 174.603 174.600 0.005 0.000 1.055 1218 S CA 0.000 58.204 58.200 0.006 0.000 1.107 1218 S CB 0.000 63.203 63.200 0.004 0.000 0.593 1219 c N 2.124 120.728 118.600 0.007 0.000 3.044 1219 c HA 0.753 5.338 4.570 0.024 0.000 0.315 1219 c C -0.086 174.005 174.090 0.002 0.000 1.320 1219 c CA -0.524 55.809 56.329 0.006 0.000 1.582 1219 c CB 1.442 43.963 42.510 0.018 0.000 2.039 1219 c HN 0.996 nan 8.230 nan 0.000 0.466 1220 D N 1.610 122.004 120.400 -0.010 0.000 2.982 1220 D HA 0.139 4.793 4.640 0.024 0.000 0.238 1220 D C 1.079 177.379 176.300 0.001 0.000 1.168 1220 D CA -0.169 53.821 54.000 -0.016 0.000 0.947 1220 D CB -0.290 40.483 40.800 -0.045 0.000 1.147 1220 D HN 0.371 nan 8.370 nan 0.000 0.450 1221 L N -1.318 119.915 121.223 0.017 0.000 2.083 1221 L HA -0.066 4.289 4.340 0.024 0.000 0.209 1221 L C 1.226 178.111 176.870 0.025 0.000 1.083 1221 L CA 1.209 56.067 54.840 0.029 0.000 0.752 1221 L CB -1.124 40.949 42.059 0.024 0.000 0.899 1221 L HN 0.118 nan 8.230 nan 0.000 0.433 1222 N N 0.746 119.457 118.700 0.017 0.000 2.322 1222 N HA 0.319 5.074 4.740 0.024 0.000 0.216 1222 N C 0.161 175.682 175.510 0.017 0.000 1.144 1222 N CA 0.642 53.702 53.050 0.017 0.000 0.830 1222 N CB 0.408 38.903 38.487 0.013 0.000 1.034 1222 N HN 0.433 nan 8.380 nan 0.000 0.484 1223 A N 0.488 123.317 122.820 0.016 0.000 2.328 1223 A HA 0.295 4.629 4.320 0.024 0.000 0.318 1223 A C 0.168 177.768 177.584 0.026 0.000 1.347 1223 A CA -0.533 51.512 52.037 0.013 0.000 0.842 1223 A CB 0.496 19.492 19.000 -0.007 0.000 1.148 1223 A HN 0.010 nan 8.150 nan 0.000 0.499 1224 T N 2.625 117.208 114.554 0.048 0.000 2.752 1224 T HA 0.244 4.608 4.350 0.024 0.000 0.295 1224 T C -0.086 174.682 174.700 0.113 0.000 0.923 1224 T CA -0.035 62.116 62.100 0.085 0.000 1.112 1224 T CB -0.517 68.404 68.868 0.089 0.000 0.884 1224 T HN 0.728 nan 8.240 nan 0.000 0.525 1225 N N 4.120 122.896 118.700 0.126 0.000 2.295 1225 N HA 0.501 5.256 4.740 0.024 0.000 0.293 1225 N C -1.675 173.960 175.510 0.207 0.000 1.040 1225 N CA -0.708 52.404 53.050 0.104 0.000 0.840 1225 N CB 1.678 40.162 38.487 -0.005 0.000 1.468 1225 N HN 0.726 nan 8.380 nan 0.000 0.478 1226 Y N 1.862 122.184 120.300 0.036 0.000 2.534 1226 Y HA 0.682 5.245 4.550 0.022 0.000 0.345 1226 Y C -1.214 174.712 175.900 0.043 0.000 1.031 1226 Y CA -1.122 57.008 58.100 0.049 0.000 1.022 1226 Y CB 0.938 39.425 38.460 0.044 0.000 1.292 1226 Y HN 0.343 nan 8.280 nan 0.000 0.459 1227 I N 0.850 121.474 120.570 0.090 0.000 2.647 1227 I HA 0.688 4.872 4.170 0.024 0.000 0.295 1227 I C -0.643 175.522 176.117 0.081 0.000 1.078 1227 I CA -1.629 59.675 61.300 0.006 0.000 1.048 1227 I CB 2.407 40.422 38.000 0.024 0.000 1.239 1227 I HN 0.878 nan 8.210 nan 0.000 0.421 1228 R N 3.046 123.571 120.500 0.042 0.000 2.582 1228 R HA 0.666 5.020 4.340 0.024 0.000 0.271 1228 R C 0.719 177.061 176.300 0.071 0.000 1.078 1228 R CA 0.269 56.408 56.100 0.065 0.000 1.127 1228 R CB 0.673 30.994 30.300 0.035 0.000 1.038 1228 R HN 1.188 nan 8.270 nan 0.000 0.500 1229 G N 0.596 109.440 108.800 0.074 0.000 2.258 1229 G HA2 -0.281 3.693 3.960 0.024 0.000 0.233 1229 G HA3 -0.281 3.693 3.960 0.024 0.000 0.233 1229 G C -0.184 174.765 174.900 0.082 0.000 1.006 1229 G CA 0.062 45.212 45.100 0.084 0.000 0.620 1229 G HN 0.697 nan 8.290 nan 0.000 0.511 1230 c N 3.060 121.714 118.600 0.089 0.000 2.362 1230 c HA 0.742 5.326 4.570 0.024 0.000 0.309 1230 c C 0.219 174.360 174.090 0.084 0.000 1.110 1230 c CA -1.378 55.005 56.329 0.090 0.000 1.485 1230 c CB 0.576 43.153 42.510 0.112 0.000 1.949 1230 c HN 0.468 nan 8.230 nan 0.000 0.419 1231 Q N 0.794 120.629 119.800 0.059 0.000 2.180 1231 Q HA 0.444 4.799 4.340 0.024 0.000 0.241 1231 Q C 0.296 176.316 176.000 0.034 0.000 0.970 1231 Q CA -0.296 55.535 55.803 0.047 0.000 0.919 1231 Q CB 0.885 29.641 28.738 0.031 0.000 1.222 1231 Q HN 0.667 nan 8.270 nan 0.000 0.482 1232 S N 1.542 117.260 115.700 0.030 0.000 2.571 1232 S HA -0.040 4.444 4.470 0.024 0.000 0.298 1232 S C 0.263 174.828 174.600 -0.058 0.000 1.280 1232 S CA 0.168 58.378 58.200 0.018 0.000 1.052 1232 S CB 0.240 63.462 63.200 0.037 0.000 0.799 1232 S HN 0.181 nan 8.310 nan 0.000 0.501 1233 K N 2.123 122.417 120.400 -0.177 0.000 2.319 1233 K HA 0.123 4.458 4.320 0.024 0.000 0.265 1233 K C 1.296 177.571 176.600 -0.543 0.000 1.000 1233 K CA 0.189 56.182 56.287 -0.491 0.000 0.943 1233 K CB 0.353 32.227 32.500 -1.044 0.000 0.950 1233 K HN 0.857 nan 8.250 nan 0.000 0.485 1234 T N -2.928 111.375 114.554 -0.419 0.000 3.192 1234 T HA 0.037 4.401 4.350 0.024 0.000 0.295 1234 T C 1.318 175.946 174.700 -0.119 0.000 0.947 1234 T CA -0.347 61.644 62.100 -0.182 0.000 0.916 1234 T CB -0.442 68.395 68.868 -0.051 0.000 1.169 1234 T HN 0.517 nan 8.240 nan 0.000 0.540 1235 Y N 1.474 121.670 120.300 -0.173 0.000 2.274 1235 Y HA 0.237 4.797 4.550 0.018 0.000 0.290 1235 Y C 0.950 176.883 175.900 0.054 0.000 1.145 1235 Y CA 0.845 58.905 58.100 -0.068 0.000 1.203 1235 Y CB -0.570 37.813 38.460 -0.127 0.000 0.984 1235 Y HN 0.116 nan 8.280 nan 0.000 0.533 1236 D N 0.516 120.921 120.400 0.009 0.000 2.388 1236 D HA 0.374 5.029 4.640 0.024 0.000 0.221 1236 D C 0.599 176.943 176.300 0.073 0.000 1.133 1236 D CA 1.003 55.063 54.000 0.099 0.000 0.831 1236 D CB 0.497 41.322 40.800 0.043 0.000 0.962 1236 D HN 0.565 nan 8.370 nan 0.000 0.502 1237 G N 0.687 109.540 108.800 0.088 0.000 2.539 1237 G HA2 -0.151 3.824 3.960 0.024 0.000 0.686 1237 G HA3 -0.151 3.824 3.960 0.024 0.000 0.686 1237 G C -0.659 174.304 174.900 0.105 0.000 1.258 1237 G CA -1.153 43.990 45.100 0.071 0.000 0.846 1237 G HN 0.043 nan 8.290 nan 0.000 0.647 1238 K N -0.099 120.341 120.400 0.068 0.000 2.414 1238 K HA 0.341 4.675 4.320 0.024 0.000 0.272 1238 K C 0.985 177.636 176.600 0.085 0.000 0.993 1238 K CA -0.117 56.212 56.287 0.070 0.000 0.964 1238 K CB 0.758 33.274 32.500 0.026 0.000 0.925 1238 K HN 0.421 nan 8.250 nan 0.000 0.487 1239 I N 2.989 123.621 120.570 0.104 0.000 2.618 1239 I HA -0.060 4.124 4.170 0.024 0.000 0.284 1239 I C 0.619 176.780 176.117 0.073 0.000 1.146 1239 I CA -0.179 61.169 61.300 0.079 0.000 1.425 1239 I CB 0.028 38.080 38.000 0.086 0.000 1.383 1239 I HN 0.446 nan 8.210 nan 0.000 0.562 1240 F N 8.996 128.918 119.950 -0.047 0.000 2.629 1240 F HA 0.037 4.578 4.527 0.024 0.000 0.377 1240 F C -1.218 174.565 175.800 -0.029 0.000 1.101 1240 F CA -0.941 57.035 58.000 -0.041 0.000 1.301 1240 F CB 0.457 39.423 39.000 -0.056 0.000 1.062 1240 F HN 0.405 nan 8.300 nan 0.000 0.583 1241 P HA 0.142 nan 4.420 nan 0.000 0.245 1241 P C 0.204 177.196 177.300 -0.513 0.000 1.212 1241 P CA 0.207 62.526 63.100 -1.301 0.000 0.774 1241 P CB -0.127 30.984 31.700 -0.982 0.000 0.999 1242 G N 0.468 109.121 108.800 -0.244 0.000 2.614 1242 G HA2 0.282 4.257 3.960 0.024 0.000 0.239 1242 G HA3 0.282 4.257 3.960 0.024 0.000 0.239 1242 G C -0.388 174.483 174.900 -0.048 0.000 1.240 1242 G CA 0.106 45.141 45.100 -0.109 0.000 0.842 1242 G HN 0.065 nan 8.290 nan 0.000 0.584 1243 K N -0.456 119.932 120.400 -0.020 0.000 2.508 1243 K HA 0.632 4.966 4.320 0.024 0.000 0.260 1243 K C 0.485 177.096 176.600 0.018 0.000 0.949 1243 K CA 0.627 56.923 56.287 0.015 0.000 0.834 1243 K CB 1.800 34.312 32.500 0.019 0.000 1.365 1243 K HN 1.473 nan 8.250 nan 0.000 0.437 1244 G N 0.774 109.592 108.800 0.030 0.000 2.601 1244 G HA2 0.070 4.045 3.960 0.024 0.000 0.252 1244 G HA3 0.070 4.045 3.960 0.024 0.000 0.252 1244 G C 0.671 175.592 174.900 0.035 0.000 1.294 1244 G CA 0.350 45.470 45.100 0.034 0.000 0.912 1244 G HN 1.716 nan 8.290 nan 0.000 0.574 1245 G N -1.134 107.687 108.800 0.035 0.000 2.162 1245 G HA2 -0.014 3.960 3.960 0.024 0.000 0.260 1245 G HA3 -0.014 3.960 3.960 0.024 0.000 0.260 1245 G C 0.531 175.457 174.900 0.043 0.000 0.976 1245 G CA 1.645 46.765 45.100 0.033 0.000 0.655 1245 G HN 2.156 nan 8.290 nan 0.000 0.533 1246 E N 0.963 121.197 120.200 0.057 0.000 2.398 1246 E HA 0.332 4.696 4.350 0.024 0.000 0.263 1246 E C 0.200 176.846 176.600 0.077 0.000 1.046 1246 E CA 0.027 56.473 56.400 0.076 0.000 0.908 1246 E CB 0.966 30.721 29.700 0.091 0.000 0.963 1246 E HN 0.456 nan 8.360 nan 0.000 0.431 1247 K N 1.442 121.894 120.400 0.086 0.000 2.090 1247 K HA 0.177 4.512 4.320 0.024 0.000 0.249 1247 K C 0.256 176.895 176.600 0.065 0.000 0.995 1247 K CA -0.590 55.730 56.287 0.054 0.000 0.914 1247 K CB 0.937 33.447 32.500 0.017 0.000 1.057 1247 K HN 0.627 nan 8.250 nan 0.000 0.462 1248 Q N -0.193 119.636 119.800 0.049 0.000 2.359 1248 Q HA 0.328 4.682 4.340 0.024 0.000 0.275 1248 Q C -1.207 174.823 176.000 0.050 0.000 1.082 1248 Q CA -0.988 54.888 55.803 0.121 0.000 0.849 1248 Q CB 0.749 29.582 28.738 0.158 0.000 1.377 1248 Q HN 0.390 nan 8.270 nan 0.000 0.452 1249 W N 1.361 122.717 121.300 0.093 0.000 2.322 1249 W HA 0.270 4.949 4.660 0.032 0.000 0.328 1249 W C -0.410 176.119 176.519 0.016 0.000 1.395 1249 W CA -0.011 57.376 57.345 0.069 0.000 1.267 1249 W CB 0.328 29.902 29.460 0.190 0.000 1.259 1249 W HN 0.421 nan 8.180 nan 0.000 0.560 1250 I N 5.143 125.772 120.570 0.097 0.000 2.306 1250 I HA 0.170 4.354 4.170 0.024 0.000 0.288 1250 I C -0.559 175.581 176.117 0.038 0.000 1.036 1250 I CA -0.497 60.818 61.300 0.025 0.000 1.221 1250 I CB 0.236 38.187 38.000 -0.081 0.000 1.385 1250 I HN 0.233 nan 8.210 nan 0.000 0.472 1251 c N 6.528 125.157 118.600 0.048 0.000 2.273 1251 c HA 0.482 5.067 4.570 0.024 0.000 0.328 1251 c C 0.196 174.276 174.090 -0.017 0.000 1.275 1251 c CA -0.960 55.377 56.329 0.015 0.000 1.704 1251 c CB 0.149 42.654 42.510 -0.008 0.000 2.326 1251 c HN 0.547 nan 8.230 nan 0.000 0.517 1252 K N 2.448 122.832 120.400 -0.027 0.000 2.207 1252 K HA 0.323 4.658 4.320 0.024 0.000 0.255 1252 K C -0.060 176.515 176.600 -0.040 0.000 0.941 1252 K CA -0.478 55.787 56.287 -0.037 0.000 0.825 1252 K CB 2.042 34.514 32.500 -0.046 0.000 1.119 1252 K HN 0.507 nan 8.250 nan 0.000 0.430 1253 D N 0.669 121.043 120.400 -0.043 0.000 2.113 1253 D HA -0.117 4.537 4.640 0.024 0.000 0.206 1253 D C 0.928 177.203 176.300 -0.041 0.000 0.979 1253 D CA 1.538 55.510 54.000 -0.046 0.000 0.862 1253 D CB -0.030 40.743 40.800 -0.044 0.000 1.013 1253 D HN 0.546 nan 8.370 nan 0.000 0.455 1254 T N 0.588 115.120 114.554 -0.037 0.000 3.624 1254 T HA 0.315 4.680 4.350 0.024 0.000 0.231 1254 T C 0.054 174.735 174.700 -0.031 0.000 0.865 1254 T CA -0.432 61.648 62.100 -0.033 0.000 0.926 1254 T CB -1.423 67.427 68.868 -0.030 0.000 1.189 1254 T HN 0.156 nan 8.240 nan 0.000 0.640 1255 I N -1.540 119.012 120.570 -0.030 0.000 2.892 1255 I HA 0.717 4.902 4.170 0.024 0.000 0.306 1255 I C -1.033 175.077 176.117 -0.012 0.000 1.078 1255 I CA -1.550 59.736 61.300 -0.023 0.000 1.032 1255 I CB 1.977 39.959 38.000 -0.029 0.000 1.229 1255 I HN -0.031 nan 8.210 nan 0.000 0.435 1256 I N 3.478 124.046 120.570 -0.002 0.000 2.378 1256 I HA 0.319 4.504 4.170 0.024 0.000 0.291 1256 I C -0.629 175.526 176.117 0.064 0.000 0.992 1256 I CA -0.417 60.890 61.300 0.012 0.000 1.154 1256 I CB 1.283 39.278 38.000 -0.008 0.000 1.315 1256 I HN 0.665 nan 8.210 nan 0.000 0.448 1257 H N 5.927 124.959 119.070 -0.063 0.000 2.690 1257 H HA 0.342 4.915 4.556 0.029 0.000 0.280 1257 H C 0.916 176.175 175.328 -0.115 0.000 1.138 1257 H CA 0.449 56.440 56.048 -0.095 0.000 1.241 1257 H CB 0.618 30.319 29.762 -0.102 0.000 1.394 1257 H HN 0.924 nan 8.280 nan 0.000 0.489 1258 G N 4.994 113.781 108.800 -0.021 0.000 5.306 1258 G HA2 -0.391 3.583 3.960 0.024 0.000 0.318 1258 G HA3 -0.391 3.583 3.960 0.024 0.000 0.318 1258 G C 0.661 175.509 174.900 -0.087 0.000 1.413 1258 G CA 0.748 45.779 45.100 -0.115 0.000 0.981 1258 G HN 0.618 nan 8.290 nan 0.000 0.788 1259 D N -0.459 119.878 120.400 -0.106 0.000 2.434 1259 D HA 0.251 4.906 4.640 0.024 0.000 0.288 1259 D C 1.255 177.503 176.300 -0.087 0.000 1.083 1259 D CA 1.243 55.186 54.000 -0.096 0.000 0.903 1259 D CB 0.262 40.990 40.800 -0.121 0.000 1.476 1259 D HN 0.659 nan 8.370 nan 0.000 0.502 1260 T N 0.254 114.752 114.554 -0.093 0.000 2.952 1260 T HA 0.409 4.773 4.350 0.024 0.000 0.286 1260 T C -0.382 174.286 174.700 -0.054 0.000 1.024 1260 T CA -0.631 61.418 62.100 -0.086 0.000 1.029 1260 T CB 0.956 69.755 68.868 -0.114 0.000 1.094 1260 T HN -0.243 nan 8.240 nan 0.000 0.515 1261 N N 1.049 119.713 118.700 -0.060 0.000 2.482 1261 N HA 0.549 5.303 4.740 0.024 0.000 0.260 1261 N C 0.567 176.049 175.510 -0.045 0.000 1.236 1261 N CA 0.707 53.728 53.050 -0.049 0.000 0.938 1261 N CB 0.254 38.705 38.487 -0.059 0.000 1.128 1261 N HN 1.130 nan 8.380 nan 0.000 0.448 1262 G N -0.826 107.955 108.800 -0.033 0.000 2.829 1262 G HA2 0.426 4.401 3.960 0.024 0.000 0.628 1262 G HA3 0.426 4.401 3.960 0.024 0.000 0.628 1262 G C -1.020 173.889 174.900 0.015 0.000 1.412 1262 G CA -0.304 44.776 45.100 -0.034 0.000 0.864 1262 G HN 1.278 nan 8.290 nan 0.000 0.544 1263 A N -1.481 121.352 122.820 0.020 0.000 2.586 1263 A HA 0.612 4.946 4.320 0.024 0.000 0.298 1263 A C -0.568 177.079 177.584 0.105 0.000 1.013 1263 A CA 0.268 52.374 52.037 0.116 0.000 0.707 1263 A CB 0.680 19.759 19.000 0.132 0.000 1.276 1263 A HN 2.233 nan 8.150 nan 0.000 0.414 1264 c N 2.159 120.876 118.600 0.195 0.000 2.301 1264 c HA 0.614 5.199 4.570 0.024 0.000 0.323 1264 c C 0.185 174.426 174.090 0.253 0.000 1.265 1264 c CA -0.386 56.079 56.329 0.227 0.000 1.503 1264 c CB -0.587 42.039 42.510 0.194 0.000 2.195 1264 c HN 0.608 nan 8.230 nan 0.000 0.477 1265 I N 5.805 126.319 120.570 -0.093 0.000 2.337 1265 I HA 0.235 4.420 4.170 0.024 0.000 0.291 1265 I C -2.073 173.541 176.117 -0.839 0.000 1.046 1265 I CA -1.574 59.288 61.300 -0.730 0.000 1.324 1265 I CB 0.704 38.365 38.000 -0.565 0.000 1.409 1265 I HN 0.314 nan 8.210 nan 0.000 0.494 1266 P HA 0.036 nan 4.420 nan 0.000 0.266 1266 P C -2.036 174.575 177.300 -1.148 0.000 1.195 1266 P CA -0.933 61.123 63.100 -1.740 0.000 0.768 1266 P CB 0.091 31.103 31.700 -1.147 0.000 0.838 1267 P HA -0.217 nan 4.420 nan 0.000 0.216 1267 P C 1.617 178.552 177.300 -0.608 0.000 1.157 1267 P CA 1.621 64.394 63.100 -0.545 0.000 0.880 1267 P CB -0.089 31.461 31.700 -0.250 0.000 0.791 1268 R N -0.651 119.250 120.500 -0.997 0.000 2.083 1268 R HA -0.137 4.217 4.340 0.024 0.000 0.237 1268 R C 1.878 177.787 176.300 -0.651 0.000 1.137 1268 R CA 2.379 57.684 56.100 -1.325 0.000 0.951 1268 R CB -1.092 28.538 30.300 -1.115 0.000 0.851 1268 R HN 0.129 nan 8.270 nan 0.000 0.434 1269 T N 1.197 115.420 114.554 -0.551 0.000 2.720 1269 T HA -0.186 4.178 4.350 0.024 0.000 0.268 1269 T C 1.713 176.241 174.700 -0.288 0.000 1.037 1269 T CA 1.708 63.572 62.100 -0.393 0.000 1.144 1269 T CB -0.185 68.379 68.868 -0.506 0.000 0.864 1269 T HN 0.468 nan 8.240 nan 0.000 0.444 1270 Q N 0.630 120.263 119.800 -0.278 0.000 2.364 1270 Q HA 0.012 4.367 4.340 0.024 0.000 0.209 1270 Q C 1.749 177.680 176.000 -0.115 0.000 0.977 1270 Q CA 0.604 56.345 55.803 -0.103 0.000 0.885 1270 Q CB -0.035 28.656 28.738 -0.079 0.000 0.941 1270 Q HN 0.265 nan 8.270 nan 0.000 0.464 1271 N N 0.170 118.773 118.700 -0.162 0.000 2.203 1271 N HA 0.036 4.790 4.740 0.024 0.000 0.207 1271 N C -0.636 174.824 175.510 -0.084 0.000 1.130 1271 N CA -0.185 52.817 53.050 -0.081 0.000 0.861 1271 N CB 0.339 38.842 38.487 0.026 0.000 1.005 1271 N HN 0.115 nan 8.380 nan 0.000 0.507 1272 L N 1.506 122.640 121.223 -0.148 0.000 2.540 1272 L HA 0.010 4.364 4.340 0.024 0.000 0.276 1272 L C 0.252 177.115 176.870 -0.012 0.000 1.212 1272 L CA 0.062 54.827 54.840 -0.127 0.000 0.893 1272 L CB 0.194 42.096 42.059 -0.263 0.000 1.138 1272 L HN 0.166 nan 8.230 nan 0.000 0.491 1273 c N 6.329 124.998 118.600 0.115 0.000 2.624 1273 c HA 0.313 4.898 4.570 0.024 0.000 0.397 1273 c C 1.525 175.766 174.090 0.252 0.000 1.331 1273 c CA -0.125 56.308 56.329 0.174 0.000 1.716 1273 c CB -1.178 41.455 42.510 0.205 0.000 2.452 1273 c HN 0.771 nan 8.230 nan 0.000 0.586 1274 V N 5.631 125.653 119.914 0.180 0.000 3.578 1274 V HA 0.434 4.568 4.120 0.024 0.000 0.290 1274 V C 1.552 177.760 176.094 0.191 0.000 1.376 1274 V CA 0.816 63.244 62.300 0.213 0.000 1.083 1274 V CB -1.259 30.663 31.823 0.164 0.000 0.911 1274 V HN 1.524 nan 8.190 nan 0.000 0.433 1275 G N 2.005 110.901 108.800 0.161 0.000 2.698 1275 G HA2 -0.375 3.600 3.960 0.024 0.000 0.337 1275 G HA3 -0.375 3.600 3.960 0.024 0.000 0.337 1275 G C 0.674 175.651 174.900 0.127 0.000 1.286 1275 G CA 0.960 46.136 45.100 0.127 0.000 1.000 1275 G HN 0.524 nan 8.290 nan 0.000 0.547 1276 E N 0.888 121.146 120.200 0.096 0.000 2.445 1276 E HA 0.196 4.560 4.350 0.024 0.000 0.189 1276 E C 2.553 179.212 176.600 0.098 0.000 1.069 1276 E CA 0.093 56.537 56.400 0.074 0.000 0.871 1276 E CB 0.119 29.842 29.700 0.037 0.000 0.991 1276 E HN 0.529 nan 8.360 nan 0.000 0.481 1277 L N -0.677 120.639 121.223 0.155 0.000 2.240 1277 L HA 0.055 4.410 4.340 0.024 0.000 0.211 1277 L C 1.256 178.291 176.870 0.276 0.000 1.106 1277 L CA 0.657 55.613 54.840 0.192 0.000 0.793 1277 L CB 0.099 42.286 42.059 0.214 0.000 0.927 1277 L HN 0.176 nan 8.230 nan 0.000 0.446 1278 W N 0.590 121.927 121.300 0.062 0.000 2.785 1278 W HA 0.260 4.935 4.660 0.026 0.000 0.333 1278 W C -1.433 175.106 176.519 0.033 0.000 1.062 1278 W CA -0.744 56.639 57.345 0.064 0.000 1.233 1278 W CB 1.887 31.408 29.460 0.101 0.000 1.413 1278 W HN -0.222 nan 8.180 nan 0.000 0.489 1279 D N 4.410 124.437 120.400 -0.621 0.000 2.427 1279 D HA 0.202 4.857 4.640 0.024 0.000 0.226 1279 D C 0.580 176.619 176.300 -0.434 0.000 1.076 1279 D CA -0.012 53.754 54.000 -0.390 0.000 0.849 1279 D CB 1.285 41.888 40.800 -0.328 0.000 1.052 1279 D HN 0.352 nan 8.370 nan 0.000 0.515 1280 K N 1.191 121.532 120.400 -0.098 0.000 2.432 1280 K HA 0.008 4.343 4.320 0.024 0.000 0.196 1280 K C 0.889 177.457 176.600 -0.054 0.000 1.038 1280 K CA 0.063 56.376 56.287 0.043 0.000 0.986 1280 K CB 0.030 32.599 32.500 0.116 0.000 0.782 1280 K HN 0.480 nan 8.250 nan 0.000 0.485 1281 S N 0.524 116.142 115.700 -0.137 0.000 2.560 1281 S HA -0.093 4.392 4.470 0.024 0.000 0.284 1281 S C -0.115 174.403 174.600 -0.136 0.000 1.327 1281 S CA -0.420 57.616 58.200 -0.272 0.000 1.055 1281 S CB -0.203 62.804 63.200 -0.321 0.000 0.868 1281 S HN 0.357 nan 8.310 nan 0.000 0.506 1282 Y N 1.197 121.487 120.300 -0.016 0.000 3.037 1282 Y HA -0.169 4.396 4.550 0.026 0.000 0.204 1282 Y C 1.590 177.485 175.900 -0.008 0.000 1.275 1282 Y CA 1.111 59.203 58.100 -0.013 0.000 1.066 1282 Y CB -2.124 36.322 38.460 -0.023 0.000 1.305 1282 Y HN 1.613 nan 8.280 nan 0.000 0.499 1283 G N -2.048 106.808 108.800 0.095 0.000 2.195 1283 G HA2 0.216 4.190 3.960 0.024 0.000 0.246 1283 G HA3 0.216 4.190 3.960 0.024 0.000 0.246 1283 G C 0.877 175.842 174.900 0.108 0.000 0.984 1283 G CA 0.563 45.718 45.100 0.093 0.000 0.633 1283 G HN 2.256 nan 8.290 nan 0.000 0.525 1284 G N -0.605 108.233 108.800 0.063 0.000 2.862 1284 G HA2 0.400 4.374 3.960 0.024 0.000 0.686 1284 G HA3 0.400 4.374 3.960 0.024 0.000 0.686 1284 G C -0.354 174.432 174.900 -0.191 0.000 1.134 1284 G CA 0.680 45.802 45.100 0.036 0.000 0.791 1284 G HN 2.258 nan 8.290 nan 0.000 0.592 1285 R N -0.244 119.743 120.500 -0.855 0.000 2.692 1285 R HA 0.758 5.113 4.340 0.024 0.000 0.269 1285 R C -0.129 175.248 176.300 -1.537 0.000 1.030 1285 R CA -0.314 55.230 56.100 -0.926 0.000 0.882 1285 R CB 0.839 30.912 30.300 -0.379 0.000 1.250 1285 R HN 1.396 nan 8.270 nan 0.000 0.465 1286 S N 0.454 115.633 115.700 -0.869 0.000 2.537 1286 S HA -0.029 4.455 4.470 0.024 0.000 0.286 1286 S C 0.333 174.771 174.600 -0.271 0.000 1.299 1286 S CA -0.121 57.862 58.200 -0.362 0.000 1.067 1286 S CB 0.133 63.353 63.200 0.033 0.000 0.864 1286 S HN 0.656 nan 8.310 nan 0.000 0.494 1287 N N 3.120 121.729 118.700 -0.152 0.000 2.268 1287 N HA 0.215 4.969 4.740 0.024 0.000 0.204 1287 N C 0.606 176.105 175.510 -0.018 0.000 1.124 1287 N CA 0.178 53.172 53.050 -0.093 0.000 0.838 1287 N CB -0.152 38.292 38.487 -0.071 0.000 0.994 1287 N HN 0.793 nan 8.380 nan 0.000 0.489 1288 I N -4.026 116.550 120.570 0.010 0.000 3.966 1288 I HA 0.329 4.514 4.170 0.024 0.000 0.324 1288 I C 1.386 177.510 176.117 0.011 0.000 1.517 1288 I CA -0.464 60.851 61.300 0.026 0.000 1.117 1288 I CB 0.360 38.396 38.000 0.060 0.000 1.190 1288 I HN -0.159 nan 8.210 nan 0.000 0.466 1289 K N 2.002 122.400 120.400 -0.003 0.000 2.103 1289 K HA -0.097 4.238 4.320 0.024 0.000 0.207 1289 K C 0.756 177.349 176.600 -0.011 0.000 1.048 1289 K CA 2.166 58.450 56.287 -0.006 0.000 0.930 1289 K CB 0.004 32.495 32.500 -0.015 0.000 0.716 1289 K HN 0.522 nan 8.250 nan 0.000 0.444 1290 N N 0.361 119.053 118.700 -0.013 0.000 2.177 1290 N HA 0.053 4.807 4.740 0.024 0.000 0.218 1290 N C -1.238 174.265 175.510 -0.012 0.000 1.182 1290 N CA -0.300 52.741 53.050 -0.014 0.000 0.882 1290 N CB 0.745 39.223 38.487 -0.014 0.000 1.052 1290 N HN 0.090 nan 8.380 nan 0.000 0.519 1291 D N 0.797 121.191 120.400 -0.009 0.000 2.372 1291 D HA 0.035 4.690 4.640 0.024 0.000 0.243 1291 D C 0.664 176.956 176.300 -0.013 0.000 1.121 1291 D CA 0.152 54.150 54.000 -0.004 0.000 0.898 1291 D CB 0.734 41.540 40.800 0.009 0.000 1.202 1291 D HN 0.160 nan 8.370 nan 0.000 0.428 1292 T N -1.682 112.870 114.554 -0.003 0.000 2.856 1292 T HA 0.063 4.428 4.350 0.024 0.000 0.306 1292 T C 1.240 175.939 174.700 -0.002 0.000 1.062 1292 T CA -0.538 61.559 62.100 -0.004 0.000 1.083 1292 T CB 0.755 69.632 68.868 0.015 0.000 0.984 1292 T HN 0.493 nan 8.240 nan 0.000 0.542 1293 K N 0.491 120.877 120.400 -0.023 0.000 2.209 1293 K HA -0.149 4.185 4.320 0.024 0.000 0.204 1293 K C 1.521 178.239 176.600 0.196 0.000 1.048 1293 K CA 1.360 57.639 56.287 -0.013 0.000 0.940 1293 K CB -0.170 32.234 32.500 -0.159 0.000 0.729 1293 K HN 0.591 nan 8.250 nan 0.000 0.451 1294 E N 1.261 121.548 120.200 0.145 0.000 2.077 1294 E HA -0.152 4.212 4.350 0.024 0.000 0.193 1294 E C 1.824 178.495 176.600 0.118 0.000 0.989 1294 E CA 0.976 57.461 56.400 0.141 0.000 0.800 1294 E CB -0.252 29.501 29.700 0.088 0.000 0.746 1294 E HN 0.233 nan 8.360 nan 0.000 0.452 1295 L N 0.225 121.499 121.223 0.084 0.000 2.109 1295 L HA -0.010 4.345 4.340 0.024 0.000 0.207 1295 L C 1.996 178.921 176.870 0.091 0.000 1.086 1295 L CA 1.211 56.091 54.840 0.067 0.000 0.760 1295 L CB -0.615 41.468 42.059 0.040 0.000 0.910 1295 L HN 0.204 nan 8.230 nan 0.000 0.437 1296 L N 0.137 121.427 121.223 0.112 0.000 2.012 1296 L HA -0.249 4.105 4.340 0.024 0.000 0.210 1296 L C 2.609 179.620 176.870 0.235 0.000 1.073 1296 L CA 2.349 57.280 54.840 0.153 0.000 0.748 1296 L CB -0.851 41.281 42.059 0.120 0.000 0.891 1296 L HN 0.407 nan 8.230 nan 0.000 0.431 1297 K N -0.741 119.851 120.400 0.320 0.000 2.044 1297 K HA -0.292 4.042 4.320 0.024 0.000 0.210 1297 K C 2.152 178.826 176.600 0.123 0.000 1.049 1297 K CA 1.884 58.325 56.287 0.257 0.000 0.927 1297 K CB -0.223 32.418 32.500 0.236 0.000 0.713 1297 K HN 0.363 nan 8.250 nan 0.000 0.443 1298 E N 0.973 121.231 120.200 0.098 0.000 2.077 1298 E HA -0.154 4.210 4.350 0.024 0.000 0.193 1298 E C 1.578 178.205 176.600 0.045 0.000 0.989 1298 E CA 1.668 58.098 56.400 0.051 0.000 0.800 1298 E CB 0.100 29.822 29.700 0.036 0.000 0.746 1298 E HN 0.290 nan 8.360 nan 0.000 0.452 1299 K N -0.303 120.137 120.400 0.065 0.000 2.097 1299 K HA -0.041 4.294 4.320 0.024 0.000 0.205 1299 K C 2.212 178.846 176.600 0.057 0.000 1.050 1299 K CA 1.278 57.601 56.287 0.060 0.000 0.938 1299 K CB -0.143 32.402 32.500 0.075 0.000 0.718 1299 K HN 0.205 nan 8.250 nan 0.000 0.442 1300 I N 1.223 121.837 120.570 0.074 0.000 2.202 1300 I HA -0.284 3.900 4.170 0.024 0.000 0.242 1300 I C 2.521 178.611 176.117 -0.045 0.000 1.091 1300 I CA 1.205 62.520 61.300 0.025 0.000 1.368 1300 I CB -0.170 37.889 38.000 0.098 0.000 1.058 1300 I HN 0.108 nan 8.210 nan 0.000 0.410 1301 K N 0.985 121.387 120.400 0.004 0.000 2.063 1301 K HA -0.213 4.121 4.320 0.024 0.000 0.208 1301 K C 1.975 178.587 176.600 0.020 0.000 1.048 1301 K CA 1.719 58.012 56.287 0.010 0.000 0.928 1301 K CB -0.017 32.492 32.500 0.014 0.000 0.713 1301 K HN 0.224 nan 8.250 nan 0.000 0.442 1302 N N 0.683 119.391 118.700 0.013 0.000 2.120 1302 N HA -0.150 4.604 4.740 0.024 0.000 0.188 1302 N C 1.646 177.196 175.510 0.065 0.000 1.024 1302 N CA 1.482 54.549 53.050 0.030 0.000 0.852 1302 N CB -0.505 37.988 38.487 0.010 0.000 1.003 1302 N HN 0.315 nan 8.380 nan 0.000 0.424 1303 A N 1.069 123.900 122.820 0.019 0.000 1.902 1303 A HA -0.067 4.267 4.320 0.024 0.000 0.217 1303 A C 2.343 179.902 177.584 -0.041 0.000 1.181 1303 A CA 0.970 53.016 52.037 0.015 0.000 0.623 1303 A CB -0.679 18.322 19.000 0.002 0.000 0.818 1303 A HN 0.232 nan 8.150 nan 0.000 0.443 1304 I N -1.522 118.929 120.570 -0.197 0.000 2.252 1304 I HA -0.247 3.937 4.170 0.024 0.000 0.245 1304 I C 2.596 178.752 176.117 0.065 0.000 1.102 1304 I CA 1.508 62.706 61.300 -0.169 0.000 1.385 1304 I CB -0.504 37.411 38.000 -0.142 0.000 1.064 1304 I HN 0.520 nan 8.210 nan 0.000 0.414 1305 H N 1.474 120.542 119.070 -0.002 0.000 2.321 1305 H HA -0.225 4.345 4.556 0.023 0.000 0.300 1305 H C 2.187 177.553 175.328 0.063 0.000 1.087 1305 H CA 2.053 58.114 56.048 0.021 0.000 1.319 1305 H CB 0.221 29.988 29.762 0.008 0.000 1.379 1305 H HN 0.068 nan 8.280 nan 0.000 0.501 1306 K N 1.030 121.542 120.400 0.186 0.000 2.057 1306 K HA -0.148 4.186 4.320 0.024 0.000 0.206 1306 K C 2.237 178.925 176.600 0.147 0.000 1.050 1306 K CA 1.720 58.105 56.287 0.163 0.000 0.935 1306 K CB -0.247 32.355 32.500 0.169 0.000 0.715 1306 K HN 0.215 nan 8.250 nan 0.000 0.439 1307 E N -0.327 119.980 120.200 0.179 0.000 2.097 1307 E HA -0.163 4.201 4.350 0.024 0.000 0.196 1307 E C 1.580 178.312 176.600 0.221 0.000 1.000 1307 E CA 2.293 58.832 56.400 0.232 0.000 0.804 1307 E CB -0.553 29.363 29.700 0.362 0.000 0.740 1307 E HN 0.376 nan 8.360 nan 0.000 0.454 1308 T N 0.722 115.374 114.554 0.164 0.000 2.708 1308 T HA -0.148 4.216 4.350 0.024 0.000 0.266 1308 T C 1.552 176.399 174.700 0.246 0.000 1.037 1308 T CA 1.513 63.718 62.100 0.175 0.000 1.146 1308 T CB -0.317 68.563 68.868 0.020 0.000 0.865 1308 T HN 0.305 nan 8.240 nan 0.000 0.435 1309 E N 0.802 121.057 120.200 0.091 0.000 2.058 1309 E HA -0.100 4.264 4.350 0.024 0.000 0.194 1309 E C 2.258 178.981 176.600 0.205 0.000 0.997 1309 E CA 1.000 57.457 56.400 0.094 0.000 0.801 1309 E CB -0.334 29.385 29.700 0.032 0.000 0.746 1309 E HN 0.439 nan 8.360 nan 0.000 0.450 1310 L N 0.554 121.899 121.223 0.204 0.000 2.156 1310 L HA -0.143 4.211 4.340 0.024 0.000 0.208 1310 L C 2.458 179.507 176.870 0.298 0.000 1.095 1310 L CA 0.580 55.546 54.840 0.210 0.000 0.770 1310 L CB -0.262 41.894 42.059 0.162 0.000 0.914 1310 L HN 0.137 nan 8.230 nan 0.000 0.439 1311 L N -1.536 119.918 121.223 0.385 0.000 2.093 1311 L HA -0.244 4.110 4.340 0.024 0.000 0.208 1311 L C 2.607 179.871 176.870 0.656 0.000 1.085 1311 L CA 1.224 56.401 54.840 0.562 0.000 0.755 1311 L CB -0.607 41.743 42.059 0.486 0.000 0.904 1311 L HN 0.205 nan 8.230 nan 0.000 0.435 1312 Y N 1.151 121.672 120.300 0.367 0.000 2.114 1312 Y HA -0.364 4.200 4.550 0.024 0.000 0.282 1312 Y C 2.705 178.611 175.900 0.009 0.000 1.165 1312 Y CA 2.264 60.284 58.100 -0.133 0.000 1.148 1312 Y CB -0.095 38.095 38.460 -0.449 0.000 0.972 1312 Y HN 0.228 nan 8.280 nan 0.000 0.504 1313 E N -1.111 119.147 120.200 0.097 0.000 2.077 1313 E HA -0.320 4.044 4.350 0.024 0.000 0.193 1313 E C 2.138 178.757 176.600 0.031 0.000 0.989 1313 E CA 1.504 57.920 56.400 0.026 0.000 0.800 1313 E CB -0.671 29.111 29.700 0.137 0.000 0.746 1313 E HN 0.734 nan 8.360 nan 0.000 0.452 1314 Y N -0.350 119.951 120.300 0.002 0.000 2.293 1314 Y HA -0.219 4.348 4.550 0.028 0.000 0.291 1314 Y C 1.824 177.590 175.900 -0.223 0.000 1.137 1314 Y CA 1.922 59.965 58.100 -0.095 0.000 1.202 1314 Y CB 0.134 38.547 38.460 -0.077 0.000 0.990 1314 Y HN 0.242 nan 8.280 nan 0.000 0.537 1315 H N -2.203 116.829 119.070 -0.064 0.000 2.451 1315 H HA -0.025 4.545 4.556 0.024 0.000 0.294 1315 H C 1.680 176.855 175.328 -0.256 0.000 1.028 1315 H CA 1.201 57.170 56.048 -0.131 0.000 1.349 1315 H CB -0.169 29.622 29.762 0.049 0.000 1.444 1315 H HN 0.260 nan 8.280 nan 0.000 0.538 1316 D N 0.065 120.268 120.400 -0.329 0.000 2.144 1316 D HA -0.139 4.515 4.640 0.024 0.000 0.199 1316 D C 1.967 178.118 176.300 -0.248 0.000 0.984 1316 D CA 1.844 55.588 54.000 -0.427 0.000 0.834 1316 D CB -0.083 40.217 40.800 -0.834 0.000 0.955 1316 D HN 0.447 nan 8.370 nan 0.000 0.465 1317 T N -3.622 110.800 114.554 -0.220 0.000 3.160 1317 T HA 0.197 4.561 4.350 0.024 0.000 0.257 1317 T C 1.686 176.266 174.700 -0.199 0.000 1.147 1317 T CA 0.690 62.689 62.100 -0.167 0.000 1.064 1317 T CB -0.255 68.540 68.868 -0.122 0.000 0.949 1317 T HN 0.287 nan 8.240 nan 0.000 0.526 1318 G N 0.527 109.184 108.800 -0.238 0.000 2.160 1318 G HA2 -0.307 3.667 3.960 0.024 0.000 0.251 1318 G HA3 -0.307 3.667 3.960 0.024 0.000 0.251 1318 G C 0.722 175.425 174.900 -0.328 0.000 1.008 1318 G CA 0.627 45.583 45.100 -0.240 0.000 0.724 1318 G HN 0.564 nan 8.290 nan 0.000 0.514 1319 T N 0.194 114.446 114.554 -0.504 0.000 2.894 1319 T HA 0.424 4.789 4.350 0.024 0.000 0.258 1319 T C 1.836 176.021 174.700 -0.859 0.000 1.043 1319 T CA 1.131 62.834 62.100 -0.661 0.000 1.141 1319 T CB 0.002 68.374 68.868 -0.826 0.000 0.873 1319 T HN 1.495 nan 8.240 nan 0.000 0.449 1320 A N 1.236 123.350 122.820 -1.177 0.000 2.546 1320 A HA 0.273 4.607 4.320 0.024 0.000 0.243 1320 A C 1.464 178.851 177.584 -0.328 0.000 1.063 1320 A CA -0.126 51.444 52.037 -0.779 0.000 0.757 1320 A CB -0.445 17.974 19.000 -0.968 0.000 0.991 1320 A HN 0.454 nan 8.150 nan 0.000 0.503 1321 I N 2.440 122.935 120.570 -0.125 0.000 2.185 1321 I HA -0.329 3.855 4.170 0.024 0.000 0.246 1321 I C 2.157 178.272 176.117 -0.004 0.000 1.088 1321 I CA 2.341 63.618 61.300 -0.039 0.000 1.347 1321 I CB -0.399 37.634 38.000 0.056 0.000 1.041 1321 I HN 0.893 nan 8.210 nan 0.000 0.415 1322 I N -1.307 119.309 120.570 0.078 0.000 3.176 1322 I HA -0.087 4.097 4.170 0.024 0.000 0.275 1322 I C 2.193 178.379 176.117 0.115 0.000 1.298 1322 I CA 1.192 62.565 61.300 0.122 0.000 1.445 1322 I CB -0.387 37.740 38.000 0.212 0.000 1.075 1322 I HN 0.191 nan 8.210 nan 0.000 0.482 1323 S N -0.203 115.529 115.700 0.053 0.000 2.548 1323 S HA 0.214 4.699 4.470 0.024 0.000 0.215 1323 S C 0.758 175.335 174.600 -0.038 0.000 0.976 1323 S CA -0.428 57.794 58.200 0.037 0.000 0.908 1323 S CB -0.254 62.935 63.200 -0.018 0.000 0.781 1323 S HN 0.431 nan 8.310 nan 0.000 0.519 1324 K N 2.128 122.491 120.400 -0.061 0.000 2.154 1324 K HA 0.266 4.601 4.320 0.024 0.000 0.264 1324 K C -0.110 176.451 176.600 -0.065 0.000 1.008 1324 K CA -0.601 55.634 56.287 -0.086 0.000 0.937 1324 K CB 0.371 32.804 32.500 -0.112 0.000 1.002 1324 K HN 0.144 nan 8.250 nan 0.000 0.469 1325 N N 1.197 119.851 118.700 -0.077 0.000 2.483 1325 N HA -0.019 4.735 4.740 0.024 0.000 0.269 1325 N C 0.067 175.526 175.510 -0.085 0.000 1.209 1325 N CA 0.042 53.050 53.050 -0.069 0.000 0.969 1325 N CB 1.150 39.594 38.487 -0.071 0.000 1.173 1325 N HN 0.428 nan 8.380 nan 0.000 0.475 1326 D N 0.646 121.000 120.400 -0.077 0.000 2.280 1326 D HA -0.116 4.538 4.640 0.024 0.000 0.206 1326 D C 0.003 176.235 176.300 -0.114 0.000 0.988 1326 D CA 1.574 55.517 54.000 -0.095 0.000 0.886 1326 D CB 0.221 40.971 40.800 -0.082 0.000 0.914 1326 D HN 0.401 nan 8.370 nan 0.000 0.473 1327 K N 0.052 120.389 120.400 -0.104 0.000 2.156 1327 K HA 0.287 4.621 4.320 0.024 0.000 0.254 1327 K C -0.342 176.187 176.600 -0.117 0.000 0.950 1327 K CA -0.753 55.469 56.287 -0.109 0.000 0.849 1327 K CB 1.578 34.023 32.500 -0.092 0.000 1.100 1327 K HN -0.259 nan 8.250 nan 0.000 0.434 1328 K N 0.777 121.103 120.400 -0.123 0.000 2.298 1328 K HA 0.141 4.475 4.320 0.024 0.000 0.280 1328 K C 0.641 177.167 176.600 -0.124 0.000 1.032 1328 K CA 1.224 57.434 56.287 -0.129 0.000 0.958 1328 K CB 0.735 33.159 32.500 -0.128 0.000 0.978 1328 K HN 0.793 nan 8.250 nan 0.000 0.472 1329 G N 2.065 110.782 108.800 -0.139 0.000 2.347 1329 G HA2 -0.350 3.625 3.960 0.024 0.000 0.247 1329 G HA3 -0.350 3.625 3.960 0.024 0.000 0.247 1329 G C 0.201 175.023 174.900 -0.130 0.000 1.037 1329 G CA 0.246 45.258 45.100 -0.147 0.000 0.622 1329 G HN 0.610 nan 8.290 nan 0.000 0.521 1330 Q N 1.285 121.019 119.800 -0.111 0.000 2.340 1330 Q HA 0.445 4.799 4.340 0.024 0.000 0.249 1330 Q C 0.731 176.675 176.000 -0.093 0.000 0.957 1330 Q CA -0.118 55.629 55.803 -0.093 0.000 0.882 1330 Q CB 0.453 29.142 28.738 -0.081 0.000 1.235 1330 Q HN 0.619 nan 8.270 nan 0.000 0.439 1331 K N 1.066 121.418 120.400 -0.080 0.000 2.144 1331 K HA 0.423 4.758 4.320 0.024 0.000 0.270 1331 K C -0.060 176.506 176.600 -0.057 0.000 1.005 1331 K CA -0.510 55.732 56.287 -0.075 0.000 0.932 1331 K CB 0.902 33.360 32.500 -0.069 0.000 1.021 1331 K HN 0.588 nan 8.250 nan 0.000 0.462 1332 G N 2.544 111.313 108.800 -0.052 0.000 2.398 1332 G HA2 0.037 4.011 3.960 0.024 0.000 0.246 1332 G HA3 0.037 4.011 3.960 0.024 0.000 0.246 1332 G C -0.445 174.447 174.900 -0.014 0.000 1.289 1332 G CA -0.503 44.580 45.100 -0.029 0.000 0.869 1332 G HN 0.503 nan 8.290 nan 0.000 0.543 1333 K N 1.762 122.160 120.400 -0.003 0.000 2.412 1333 K HA 0.018 4.352 4.320 0.024 0.000 0.281 1333 K C 0.537 177.151 176.600 0.023 0.000 1.027 1333 K CA -0.388 55.904 56.287 0.008 0.000 0.989 1333 K CB 0.127 32.635 32.500 0.012 0.000 0.935 1333 K HN 0.477 nan 8.250 nan 0.000 0.475 1334 N N 2.583 121.301 118.700 0.031 0.000 2.353 1334 N HA -0.097 4.657 4.740 0.024 0.000 0.248 1334 N C -0.158 175.390 175.510 0.063 0.000 1.240 1334 N CA 0.136 53.218 53.050 0.053 0.000 0.862 1334 N CB 0.291 38.821 38.487 0.072 0.000 1.086 1334 N HN 0.542 nan 8.380 nan 0.000 0.453 1335 D N 0.727 121.173 120.400 0.076 0.000 2.354 1335 D HA 0.268 4.922 4.640 0.024 0.000 0.247 1335 D C -2.201 174.161 176.300 0.104 0.000 1.138 1335 D CA -1.644 52.403 54.000 0.078 0.000 0.958 1335 D CB 0.758 41.599 40.800 0.068 0.000 1.144 1335 D HN 0.209 nan 8.370 nan 0.000 0.458 1336 P HA 0.157 nan 4.420 nan 0.000 0.257 1336 P C 0.236 177.588 177.300 0.087 0.000 1.241 1336 P CA 0.078 63.224 63.100 0.078 0.000 0.816 1336 P CB 0.256 31.997 31.700 0.070 0.000 1.150 1337 N N -0.127 118.647 118.700 0.124 0.000 2.322 1337 N HA 0.108 4.862 4.740 0.024 0.000 0.194 1337 N C 1.251 176.904 175.510 0.238 0.000 1.126 1337 N CA 0.884 54.028 53.050 0.158 0.000 0.845 1337 N CB 0.021 38.627 38.487 0.198 0.000 0.976 1337 N HN 0.125 nan 8.380 nan 0.000 0.475 1338 G N 0.628 109.560 108.800 0.219 0.000 2.157 1338 G HA2 -0.238 3.737 3.960 0.024 0.000 0.239 1338 G HA3 -0.238 3.737 3.960 0.024 0.000 0.239 1338 G C -0.077 175.055 174.900 0.386 0.000 0.982 1338 G CA -0.226 45.037 45.100 0.272 0.000 0.650 1338 G HN 0.240 nan 8.290 nan 0.000 0.527 1339 L N 0.914 122.311 121.223 0.291 0.000 2.399 1339 L HA 0.485 4.840 4.340 0.024 0.000 0.265 1339 L C -1.738 175.194 176.870 0.104 0.000 1.089 1339 L CA -2.411 52.520 54.840 0.152 0.000 0.802 1339 L CB 1.145 43.308 42.059 0.173 0.000 1.180 1339 L HN -0.137 nan 8.230 nan 0.000 0.454 1340 P HA -0.032 nan 4.420 nan 0.000 0.267 1340 P C -0.942 176.405 177.300 0.078 0.000 1.200 1340 P CA -0.237 62.864 63.100 0.002 0.000 0.772 1340 P CB 0.371 31.999 31.700 -0.120 0.000 0.855 1341 K N 2.151 122.586 120.400 0.058 0.000 2.511 1341 K HA 0.121 4.455 4.320 0.024 0.000 0.280 1341 K C 1.259 177.926 176.600 0.112 0.000 1.008 1341 K CA 1.120 57.441 56.287 0.057 0.000 1.050 1341 K CB -0.782 31.744 32.500 0.043 0.000 0.889 1341 K HN 0.771 nan 8.250 nan 0.000 0.484 1342 G N 4.350 113.154 108.800 0.006 0.000 2.253 1342 G HA2 -0.361 3.613 3.960 0.024 0.000 0.251 1342 G HA3 -0.361 3.613 3.960 0.024 0.000 0.251 1342 G C 0.547 175.343 174.900 -0.172 0.000 0.998 1342 G CA 0.397 45.506 45.100 0.015 0.000 0.621 1342 G HN 0.738 nan 8.290 nan 0.000 0.524 1343 F N 1.749 121.497 119.950 -0.337 0.000 2.065 1343 F HA -0.115 4.426 4.527 0.023 0.000 0.298 1343 F C 2.740 178.420 175.800 -0.199 0.000 1.112 1343 F CA 2.692 60.422 58.000 -0.450 0.000 1.212 1343 F CB -0.840 38.056 39.000 -0.175 0.000 0.975 1343 F HN 0.308 nan 8.300 nan 0.000 0.476 1344 c N 0.436 118.822 118.600 -0.357 0.000 2.429 1344 c HA -0.178 4.406 4.570 0.024 0.000 0.277 1344 c C 2.660 176.716 174.090 -0.057 0.000 1.262 1344 c CA 1.465 57.610 56.329 -0.306 0.000 1.733 1344 c CB -1.814 40.675 42.510 -0.034 0.000 2.010 1344 c HN 0.591 nan 8.230 nan 0.000 0.483 1345 H N 0.707 119.757 119.070 -0.032 0.000 2.319 1345 H HA -0.141 4.429 4.556 0.023 0.000 0.299 1345 H C 2.468 177.823 175.328 0.046 0.000 1.092 1345 H CA 1.337 57.425 56.048 0.067 0.000 1.302 1345 H CB -0.186 29.660 29.762 0.141 0.000 1.373 1345 H HN 0.513 nan 8.280 nan 0.000 0.497 1346 A N 0.741 123.614 122.820 0.089 0.000 1.908 1346 A HA -0.155 4.179 4.320 0.024 0.000 0.218 1346 A C 2.653 180.271 177.584 0.056 0.000 1.181 1346 A CA 1.694 53.782 52.037 0.085 0.000 0.627 1346 A CB -0.861 18.172 19.000 0.055 0.000 0.818 1346 A HN 0.216 nan 8.150 nan 0.000 0.445 1347 V N -0.200 119.650 119.914 -0.108 0.000 2.343 1347 V HA -0.319 3.816 4.120 0.024 0.000 0.247 1347 V C 2.649 178.867 176.094 0.206 0.000 1.051 1347 V CA 2.310 64.580 62.300 -0.050 0.000 1.036 1347 V CB -0.890 30.690 31.823 -0.405 0.000 0.654 1347 V HN 0.657 nan 8.190 nan 0.000 0.451 1348 Q N -0.443 119.486 119.800 0.214 0.000 2.084 1348 Q HA -0.199 4.155 4.340 0.024 0.000 0.202 1348 Q C 2.476 178.664 176.000 0.313 0.000 0.978 1348 Q CA 1.665 57.655 55.803 0.311 0.000 0.844 1348 Q CB -0.211 28.659 28.738 0.220 0.000 0.898 1348 Q HN 0.571 nan 8.270 nan 0.000 0.426 1349 R N -0.175 120.473 120.500 0.247 0.000 2.075 1349 R HA -0.055 4.300 4.340 0.024 0.000 0.232 1349 R C 2.491 178.918 176.300 0.211 0.000 1.126 1349 R CA 1.448 57.689 56.100 0.235 0.000 0.963 1349 R CB -0.152 30.276 30.300 0.213 0.000 0.858 1349 R HN 0.073 nan 8.270 nan 0.000 0.435 1350 S N 0.507 116.322 115.700 0.192 0.000 2.382 1350 S HA -0.137 4.347 4.470 0.024 0.000 0.228 1350 S C 1.511 176.255 174.600 0.241 0.000 1.027 1350 S CA 1.053 59.322 58.200 0.114 0.000 0.991 1350 S CB -0.280 63.012 63.200 0.153 0.000 0.823 1350 S HN 0.244 nan 8.310 nan 0.000 0.469 1351 F N 2.127 122.279 119.950 0.338 0.000 2.126 1351 F HA -0.086 4.456 4.527 0.025 0.000 0.299 1351 F C 1.862 177.845 175.800 0.305 0.000 1.096 1351 F CA 1.156 59.438 58.000 0.470 0.000 1.255 1351 F CB -0.327 39.002 39.000 0.549 0.000 0.997 1351 F HN 0.118 nan 8.300 nan 0.000 0.479 1352 I N 0.007 120.773 120.570 0.327 0.000 2.226 1352 I HA -0.322 3.862 4.170 0.024 0.000 0.245 1352 I C 1.973 178.087 176.117 -0.006 0.000 1.100 1352 I CA 1.484 62.866 61.300 0.136 0.000 1.374 1352 I CB -0.585 37.510 38.000 0.158 0.000 1.057 1352 I HN 0.089 nan 8.210 nan 0.000 0.413 1353 D N 0.241 120.651 120.400 0.018 0.000 2.117 1353 D HA -0.202 4.453 4.640 0.024 0.000 0.197 1353 D C 2.111 178.294 176.300 -0.195 0.000 0.987 1353 D CA 1.589 55.553 54.000 -0.061 0.000 0.829 1353 D CB -0.433 40.313 40.800 -0.089 0.000 0.961 1353 D HN 0.399 nan 8.370 nan 0.000 0.460 1354 Y N 1.205 121.442 120.300 -0.105 0.000 2.128 1354 Y HA -0.205 4.360 4.550 0.025 0.000 0.284 1354 Y C 2.572 178.252 175.900 -0.367 0.000 1.154 1354 Y CA 1.331 59.322 58.100 -0.182 0.000 1.149 1354 Y CB -0.135 38.219 38.460 -0.177 0.000 0.976 1354 Y HN -0.107 nan 8.280 nan 0.000 0.505 1355 K N 0.685 120.796 120.400 -0.482 0.000 2.044 1355 K HA -0.259 4.076 4.320 0.024 0.000 0.210 1355 K C 1.490 177.702 176.600 -0.646 0.000 1.049 1355 K CA 2.240 57.886 56.287 -1.067 0.000 0.927 1355 K CB -0.291 31.576 32.500 -1.055 0.000 0.713 1355 K HN 0.326 nan 8.250 nan 0.000 0.443 1356 N N 0.351 118.837 118.700 -0.357 0.000 2.270 1356 N HA -0.107 4.647 4.740 0.024 0.000 0.181 1356 N C 1.692 177.113 175.510 -0.149 0.000 1.016 1356 N CA 1.327 54.239 53.050 -0.230 0.000 0.870 1356 N CB -0.060 38.331 38.487 -0.160 0.000 0.979 1356 N HN 0.251 nan 8.380 nan 0.000 0.431 1357 M N 0.400 119.931 119.600 -0.116 0.000 2.086 1357 M HA -0.146 4.349 4.480 0.024 0.000 0.261 1357 M C 1.624 177.905 176.300 -0.032 0.000 1.067 1357 M CA 1.607 56.875 55.300 -0.053 0.000 1.116 1357 M CB -0.121 32.467 32.600 -0.020 0.000 1.348 1357 M HN 0.130 nan 8.290 nan 0.000 0.407 1358 I N 0.492 121.030 120.570 -0.052 0.000 2.226 1358 I HA -0.296 3.888 4.170 0.024 0.000 0.245 1358 I C 1.953 178.083 176.117 0.022 0.000 1.100 1358 I CA 0.834 62.158 61.300 0.040 0.000 1.374 1358 I CB -0.329 37.736 38.000 0.108 0.000 1.057 1358 I HN 0.304 nan 8.210 nan 0.000 0.413 1359 L N 0.558 121.718 121.223 -0.103 0.000 2.465 1359 L HA 0.086 4.440 4.340 0.024 0.000 0.224 1359 L C 1.636 178.485 176.870 -0.035 0.000 1.145 1359 L CA 1.134 55.932 54.840 -0.070 0.000 0.834 1359 L CB -1.273 40.684 42.059 -0.169 0.000 0.944 1359 L HN 0.427 nan 8.230 nan 0.000 0.451 1360 G N -0.650 108.127 108.800 -0.037 0.000 2.221 1360 G HA2 -0.320 3.654 3.960 0.024 0.000 0.265 1360 G HA3 -0.320 3.654 3.960 0.024 0.000 0.265 1360 G C 0.778 175.658 174.900 -0.034 0.000 1.041 1360 G CA 0.698 45.784 45.100 -0.024 0.000 0.807 1360 G HN 0.415 nan 8.290 nan 0.000 0.502 1361 T N -2.931 111.588 114.554 -0.058 0.000 3.200 1361 T HA 0.591 4.955 4.350 0.024 0.000 0.284 1361 T C 1.510 176.180 174.700 -0.051 0.000 1.009 1361 T CA 0.997 63.059 62.100 -0.063 0.000 0.907 1361 T CB 0.364 69.175 68.868 -0.094 0.000 1.120 1361 T HN 0.987 nan 8.240 nan 0.000 0.534 1362 S N 1.095 116.780 115.700 -0.025 0.000 2.354 1362 S HA 0.663 5.148 4.470 0.024 0.000 0.209 1362 S C 0.269 174.898 174.600 0.048 0.000 1.248 1362 S CA -0.546 57.664 58.200 0.017 0.000 1.211 1362 S CB -0.223 62.989 63.200 0.019 0.000 0.896 1362 S HN 0.192 nan 8.310 nan 0.000 0.447 1363 V N 2.313 122.228 119.914 0.002 0.000 2.667 1363 V HA 0.391 4.525 4.120 0.024 0.000 0.308 1363 V C 0.384 176.479 176.094 0.001 0.000 1.048 1363 V CA -0.759 61.529 62.300 -0.020 0.000 0.928 1363 V CB 1.342 33.130 31.823 -0.059 0.000 1.004 1363 V HN 0.960 nan 8.190 nan 0.000 0.444 1364 N N 2.265 120.956 118.700 -0.015 0.000 2.466 1364 N HA 0.058 4.813 4.740 0.024 0.000 0.251 1364 N C 0.967 176.449 175.510 -0.047 0.000 1.164 1364 N CA -0.146 52.892 53.050 -0.020 0.000 0.888 1364 N CB 0.193 38.670 38.487 -0.016 0.000 1.177 1364 N HN 0.624 nan 8.380 nan 0.000 0.498 1365 I N -0.224 120.298 120.570 -0.081 0.000 2.500 1365 I HA 0.012 4.196 4.170 0.024 0.000 0.252 1365 I C -0.420 175.515 176.117 -0.303 0.000 1.142 1365 I CA 0.646 61.821 61.300 -0.208 0.000 1.451 1365 I CB -0.008 37.815 38.000 -0.294 0.000 1.093 1365 I HN 0.164 nan 8.210 nan 0.000 0.430 1366 Y N 0.575 120.808 120.300 -0.112 0.000 2.341 1366 Y HA 0.248 4.794 4.550 -0.006 0.000 0.340 1366 Y C 1.413 177.233 175.900 -0.134 0.000 0.997 1366 Y CA -0.369 57.651 58.100 -0.134 0.000 1.149 1366 Y CB 1.045 39.311 38.460 -0.323 0.000 1.171 1366 Y HN -0.025 nan 8.280 nan 0.000 0.494 1367 E N 1.369 121.629 120.200 0.099 0.000 2.204 1367 E HA -0.229 4.135 4.350 0.024 0.000 0.195 1367 E C 1.944 178.591 176.600 0.078 0.000 0.990 1367 E CA 1.578 58.025 56.400 0.078 0.000 0.821 1367 E CB -0.059 29.700 29.700 0.097 0.000 0.750 1367 E HN 0.781 nan 8.360 nan 0.000 0.477 1368 H N -0.973 118.047 119.070 -0.084 0.000 2.482 1368 H HA 0.026 4.598 4.556 0.027 0.000 0.286 1368 H C 1.590 176.697 175.328 -0.367 0.000 1.017 1368 H CA 0.799 56.632 56.048 -0.359 0.000 1.322 1368 H CB 0.068 29.208 29.762 -1.038 0.000 1.426 1368 H HN 0.148 nan 8.280 nan 0.000 0.546 1369 I N 1.499 121.592 120.570 -0.794 0.000 2.703 1369 I HA 0.030 4.215 4.170 0.024 0.000 0.259 1369 I C 2.806 178.816 176.117 -0.179 0.000 1.151 1369 I CA 1.000 61.985 61.300 -0.525 0.000 1.470 1369 I CB -1.291 36.389 38.000 -0.534 0.000 1.112 1369 I HN 0.360 nan 8.210 nan 0.000 0.437 1370 G N 0.912 109.651 108.800 -0.102 0.000 2.432 1370 G HA2 -0.279 3.696 3.960 0.024 0.000 0.219 1370 G HA3 -0.279 3.696 3.960 0.024 0.000 0.219 1370 G C 1.799 176.700 174.900 0.002 0.000 1.135 1370 G CA 0.619 45.702 45.100 -0.029 0.000 0.767 1370 G HN 0.324 nan 8.290 nan 0.000 0.550 1371 K N -0.203 120.209 120.400 0.021 0.000 2.155 1371 K HA 0.148 4.483 4.320 0.024 0.000 0.203 1371 K C 2.405 179.072 176.600 0.111 0.000 1.052 1371 K CA 0.414 56.761 56.287 0.099 0.000 0.948 1371 K CB -0.168 32.458 32.500 0.211 0.000 0.728 1371 K HN 0.318 nan 8.250 nan 0.000 0.448 1372 L N 0.726 121.993 121.223 0.073 0.000 2.044 1372 L HA -0.179 4.175 4.340 0.024 0.000 0.205 1372 L C 2.522 179.424 176.870 0.054 0.000 1.075 1372 L CA 1.190 56.085 54.840 0.091 0.000 0.747 1372 L CB -0.440 41.658 42.059 0.066 0.000 0.903 1372 L HN 0.287 nan 8.230 nan 0.000 0.435 1373 Q N -0.262 119.550 119.800 0.021 0.000 2.112 1373 Q HA -0.297 4.057 4.340 0.024 0.000 0.206 1373 Q C 2.041 178.055 176.000 0.023 0.000 0.987 1373 Q CA 1.871 57.685 55.803 0.018 0.000 0.858 1373 Q CB -0.127 28.612 28.738 0.001 0.000 0.905 1373 Q HN 0.358 nan 8.270 nan 0.000 0.420 1374 E N 0.759 120.976 120.200 0.028 0.000 2.107 1374 E HA -0.131 4.233 4.350 0.024 0.000 0.191 1374 E C 1.394 178.009 176.600 0.024 0.000 0.982 1374 E CA 0.996 57.411 56.400 0.025 0.000 0.809 1374 E CB 0.073 29.793 29.700 0.032 0.000 0.756 1374 E HN 0.247 nan 8.360 nan 0.000 0.459 1375 D N -0.244 120.181 120.400 0.042 0.000 2.149 1375 D HA -0.079 4.575 4.640 0.024 0.000 0.201 1375 D C 2.017 178.317 176.300 0.001 0.000 0.972 1375 D CA 0.682 54.701 54.000 0.032 0.000 0.835 1375 D CB -0.028 40.811 40.800 0.065 0.000 0.966 1375 D HN 0.272 nan 8.370 nan 0.000 0.476 1376 I N 1.276 121.852 120.570 0.009 0.000 2.127 1376 I HA -0.280 3.904 4.170 0.024 0.000 0.241 1376 I C 2.537 178.603 176.117 -0.085 0.000 1.075 1376 I CA 1.143 62.425 61.300 -0.030 0.000 1.334 1376 I CB -0.196 37.824 38.000 0.034 0.000 1.040 1376 I HN -0.063 nan 8.210 nan 0.000 0.405 1377 K N 1.275 121.651 120.400 -0.039 0.000 2.113 1377 K HA -0.291 4.043 4.320 0.024 0.000 0.208 1377 K C 2.166 178.726 176.600 -0.067 0.000 1.047 1377 K CA 1.864 58.125 56.287 -0.043 0.000 0.928 1377 K CB -0.017 32.476 32.500 -0.012 0.000 0.716 1377 K HN -0.005 nan 8.250 nan 0.000 0.446 1378 K N 0.865 121.232 120.400 -0.055 0.000 2.062 1378 K HA 0.013 4.347 4.320 0.024 0.000 0.205 1378 K C 1.897 178.447 176.600 -0.084 0.000 1.051 1378 K CA 1.261 57.516 56.287 -0.053 0.000 0.941 1378 K CB -0.096 32.387 32.500 -0.029 0.000 0.719 1378 K HN 0.195 nan 8.250 nan 0.000 0.440 1379 I N 0.585 121.087 120.570 -0.113 0.000 2.163 1379 I HA -0.293 3.891 4.170 0.024 0.000 0.243 1379 I C 1.686 177.664 176.117 -0.230 0.000 1.085 1379 I CA 0.775 61.981 61.300 -0.156 0.000 1.347 1379 I CB -0.325 37.569 38.000 -0.177 0.000 1.044 1379 I HN 0.135 nan 8.210 nan 0.000 0.408 1380 I N 0.777 121.162 120.570 -0.309 0.000 2.163 1380 I HA -0.233 3.952 4.170 0.024 0.000 0.240 1380 I C 2.506 178.507 176.117 -0.193 0.000 1.081 1380 I CA 1.544 62.612 61.300 -0.386 0.000 1.353 1380 I CB -1.412 36.335 38.000 -0.423 0.000 1.054 1380 I HN 0.301 nan 8.210 nan 0.000 0.407 1381 E N 1.021 121.149 120.200 -0.121 0.000 2.070 1381 E HA -0.269 4.096 4.350 0.024 0.000 0.197 1381 E C 1.976 178.541 176.600 -0.058 0.000 1.004 1381 E CA 1.749 58.110 56.400 -0.066 0.000 0.805 1381 E CB -0.227 29.446 29.700 -0.045 0.000 0.744 1381 E HN 0.578 nan 8.360 nan 0.000 0.451 1382 K N -0.108 120.253 120.400 -0.066 0.000 2.459 1382 K HA 0.042 4.376 4.320 0.024 0.000 0.193 1382 K C 1.498 178.068 176.600 -0.051 0.000 1.030 1382 K CA 1.055 57.313 56.287 -0.048 0.000 1.026 1382 K CB 0.525 33.001 32.500 -0.041 0.000 0.809 1382 K HN 0.071 nan 8.250 nan 0.000 0.504 1383 G N 1.140 109.894 108.800 -0.077 0.000 3.159 1383 G HA2 0.056 4.031 3.960 0.024 0.000 0.232 1383 G HA3 0.056 4.031 3.960 0.024 0.000 0.232 1383 G C -0.021 174.853 174.900 -0.042 0.000 1.116 1383 G CA 0.230 45.289 45.100 -0.068 0.000 0.767 1383 G HN 0.423 nan 8.290 nan 0.000 0.547 1384 T N -1.179 113.354 114.554 -0.035 0.000 2.906 1384 T HA 0.662 5.026 4.350 0.024 0.000 0.295 1384 T C -3.187 171.518 174.700 0.008 0.000 1.061 1384 T CA -1.815 60.287 62.100 0.003 0.000 1.000 1384 T CB 2.677 71.555 68.868 0.016 0.000 1.103 1384 T HN -0.104 nan 8.240 nan 0.000 0.486 1385 P HA 0.148 nan 4.420 nan 0.000 0.271 1385 P C -0.441 176.869 177.300 0.017 0.000 1.216 1385 P CA -0.285 62.826 63.100 0.018 0.000 0.771 1385 P CB 0.634 32.347 31.700 0.023 0.000 0.864 1386 Q N 1.893 121.700 119.800 0.011 0.000 2.394 1386 Q HA 0.093 4.448 4.340 0.024 0.000 0.248 1386 Q C 0.042 176.051 176.000 0.014 0.000 0.992 1386 Q CA -0.067 55.743 55.803 0.010 0.000 0.888 1386 Q CB 0.599 29.340 28.738 0.005 0.000 1.257 1386 Q HN 0.537 nan 8.270 nan 0.000 0.462 1398 T N -0.212 114.356 114.554 0.023 0.000 3.118 1398 T HA 0.067 4.431 4.350 0.024 0.000 0.260 1398 T C 1.100 175.833 174.700 0.054 0.000 1.139 1398 T CA 0.694 62.814 62.100 0.034 0.000 1.085 1398 T CB -0.089 68.792 68.868 0.022 0.000 0.934 1398 T HN 0.617 nan 8.240 nan 0.000 0.518 1399 E N 1.299 121.529 120.200 0.050 0.000 2.112 1399 E HA -0.023 4.342 4.350 0.024 0.000 0.190 1399 E C 1.947 178.599 176.600 0.087 0.000 0.979 1399 E CA 0.546 56.983 56.400 0.062 0.000 0.814 1399 E CB -0.129 29.597 29.700 0.045 0.000 0.762 1399 E HN 0.380 nan 8.360 nan 0.000 0.460 1400 N N 0.527 119.275 118.700 0.080 0.000 2.166 1400 N HA -0.121 4.633 4.740 0.024 0.000 0.186 1400 N C 1.785 177.396 175.510 0.167 0.000 1.019 1400 N CA 0.651 53.764 53.050 0.105 0.000 0.856 1400 N CB -0.145 38.381 38.487 0.065 0.000 0.993 1400 N HN -0.037 nan 8.380 nan 0.000 0.426 1401 V N 1.015 121.015 119.914 0.144 0.000 2.343 1401 V HA -0.217 3.918 4.120 0.024 0.000 0.247 1401 V C 2.141 178.417 176.094 0.303 0.000 1.051 1401 V CA 1.575 64.003 62.300 0.214 0.000 1.036 1401 V CB -0.696 31.203 31.823 0.127 0.000 0.654 1401 V HN 0.365 nan 8.190 nan 0.000 0.451 1402 N N 0.706 119.534 118.700 0.213 0.000 2.069 1402 N HA -0.180 4.574 4.740 0.024 0.000 0.191 1402 N C 1.758 177.427 175.510 0.264 0.000 1.031 1402 N CA 1.985 55.172 53.050 0.229 0.000 0.852 1402 N CB -0.401 38.172 38.487 0.144 0.000 1.018 1402 N HN 0.422 nan 8.380 nan 0.000 0.423 1403 A N -0.689 122.256 122.820 0.209 0.000 1.877 1403 A HA -0.138 4.196 4.320 0.024 0.000 0.216 1403 A C 2.182 179.888 177.584 0.203 0.000 1.186 1403 A CA 1.551 53.691 52.037 0.172 0.000 0.620 1403 A CB -1.485 17.598 19.000 0.138 0.000 0.822 1403 A HN 0.651 nan 8.150 nan 0.000 0.443 1404 W N -0.058 121.298 121.300 0.093 0.000 2.333 1404 W HA -0.219 4.455 4.660 0.022 0.000 0.316 1404 W C 2.279 178.859 176.519 0.101 0.000 1.215 1404 W CA 1.988 59.384 57.345 0.084 0.000 1.278 1404 W CB -0.568 28.949 29.460 0.095 0.000 1.154 1404 W HN 0.553 nan 8.180 nan 0.000 0.486 1405 W N 1.864 123.225 121.300 0.102 0.000 2.318 1405 W HA -0.312 4.363 4.660 0.026 0.000 0.313 1405 W C 1.747 178.198 176.519 -0.115 0.000 1.221 1405 W CA 2.401 59.701 57.345 -0.076 0.000 1.266 1405 W CB -0.637 28.859 29.460 0.059 0.000 1.150 1405 W HN -0.035 nan 8.180 nan 0.000 0.496 1406 K N -0.228 120.043 120.400 -0.215 0.000 2.097 1406 K HA -0.098 4.236 4.320 0.024 0.000 0.206 1406 K C 2.366 178.764 176.600 -0.336 0.000 1.049 1406 K CA 1.457 57.565 56.287 -0.298 0.000 0.933 1406 K CB -0.888 31.593 32.500 -0.032 0.000 0.717 1406 K HN 0.252 nan 8.250 nan 0.000 0.442 1407 G N 1.704 110.341 108.800 -0.272 0.000 2.443 1407 G HA2 -0.173 3.801 3.960 0.024 0.000 0.219 1407 G HA3 -0.173 3.801 3.960 0.024 0.000 0.219 1407 G C 1.470 176.144 174.900 -0.377 0.000 1.131 1407 G CA 0.769 45.713 45.100 -0.260 0.000 0.775 1407 G HN 0.451 nan 8.290 nan 0.000 0.547 1408 I N -2.893 117.320 120.570 -0.595 0.000 3.941 1408 I HA 0.389 4.573 4.170 0.024 0.000 0.321 1408 I C 1.909 177.683 176.117 -0.572 0.000 1.284 1408 I CA 0.430 61.379 61.300 -0.585 0.000 1.226 1408 I CB 0.233 37.763 38.000 -0.784 0.000 1.045 1408 I HN 0.120 nan 8.210 nan 0.000 0.420 1409 E N 2.138 121.853 120.200 -0.809 0.000 2.086 1409 E HA -0.262 4.102 4.350 0.024 0.000 0.200 1409 E C 2.085 178.559 176.600 -0.209 0.000 1.012 1409 E CA 1.667 57.575 56.400 -0.820 0.000 0.812 1409 E CB 0.065 29.263 29.700 -0.837 0.000 0.743 1409 E HN 0.435 nan 8.360 nan 0.000 0.453 1410 R N 0.383 120.781 120.500 -0.170 0.000 2.073 1410 R HA -0.149 4.206 4.340 0.024 0.000 0.234 1410 R C 2.346 178.662 176.300 0.026 0.000 1.134 1410 R CA 1.490 57.572 56.100 -0.029 0.000 0.952 1410 R CB -0.726 29.544 30.300 -0.051 0.000 0.850 1410 R HN 0.429 nan 8.270 nan 0.000 0.433 1411 E N 0.140 120.313 120.200 -0.044 0.000 2.110 1411 E HA -0.161 4.204 4.350 0.024 0.000 0.193 1411 E C 1.862 178.484 176.600 0.037 0.000 0.988 1411 E CA 1.004 57.390 56.400 -0.022 0.000 0.804 1411 E CB 0.144 29.801 29.700 -0.072 0.000 0.745 1411 E HN 0.072 nan 8.360 nan 0.000 0.458 1412 M N -0.170 119.471 119.600 0.068 0.000 2.099 1412 M HA -0.178 4.316 4.480 0.024 0.000 0.262 1412 M C 2.143 178.702 176.300 0.432 0.000 1.067 1412 M CA 1.216 56.661 55.300 0.241 0.000 1.124 1412 M CB -1.499 31.260 32.600 0.266 0.000 1.353 1412 M HN 0.423 nan 8.290 nan 0.000 0.410 1413 W N 1.850 123.243 121.300 0.155 0.000 2.363 1413 W HA -0.234 4.440 4.660 0.022 0.000 0.296 1413 W C 1.108 177.589 176.519 -0.064 0.000 1.212 1413 W CA 1.380 58.629 57.345 -0.160 0.000 1.260 1413 W CB -0.185 29.065 29.460 -0.349 0.000 1.131 1413 W HN 0.270 nan 8.180 nan 0.000 0.530 1414 D N 0.408 120.818 120.400 0.017 0.000 2.221 1414 D HA -0.143 4.511 4.640 0.024 0.000 0.204 1414 D C 2.279 178.536 176.300 -0.072 0.000 0.982 1414 D CA 1.605 55.569 54.000 -0.059 0.000 0.857 1414 D CB -0.615 40.189 40.800 0.005 0.000 0.934 1414 D HN 0.154 nan 8.370 nan 0.000 0.475 1415 A N 0.337 123.150 122.820 -0.011 0.000 1.933 1415 A HA -0.137 4.197 4.320 0.024 0.000 0.218 1415 A C 2.493 180.062 177.584 -0.024 0.000 1.175 1415 A CA 1.130 53.207 52.037 0.067 0.000 0.628 1415 A CB -0.632 18.435 19.000 0.112 0.000 0.814 1415 A HN 0.152 nan 8.150 nan 0.000 0.444 1416 V N 0.273 120.044 119.914 -0.239 0.000 2.261 1416 V HA -0.279 3.856 4.120 0.024 0.000 0.246 1416 V C 2.636 178.461 176.094 -0.448 0.000 1.047 1416 V CA 2.205 64.234 62.300 -0.451 0.000 1.015 1416 V CB -0.869 30.355 31.823 -0.998 0.000 0.642 1416 V HN 0.532 nan 8.190 nan 0.000 0.446 1417 R N -0.651 119.524 120.500 -0.541 0.000 2.103 1417 R HA -0.240 4.114 4.340 0.024 0.000 0.242 1417 R C 2.424 178.637 176.300 -0.144 0.000 1.142 1417 R CA 1.870 57.779 56.100 -0.319 0.000 0.960 1417 R CB -1.223 28.927 30.300 -0.251 0.000 0.858 1417 R HN 0.587 nan 8.270 nan 0.000 0.439 1418 c N 0.692 119.242 118.600 -0.082 0.000 2.432 1418 c HA -0.073 4.511 4.570 0.024 0.000 0.277 1418 c C 3.003 177.100 174.090 0.011 0.000 1.249 1418 c CA 1.016 57.357 56.329 0.020 0.000 1.725 1418 c CB -1.025 41.553 42.510 0.114 0.000 2.028 1418 c HN 0.589 nan 8.230 nan 0.000 0.477 1419 A N 0.140 122.887 122.820 -0.122 0.000 1.940 1419 A HA -0.105 4.229 4.320 0.024 0.000 0.219 1419 A C 2.067 179.522 177.584 -0.214 0.000 1.176 1419 A CA 2.025 53.852 52.037 -0.350 0.000 0.631 1419 A CB -0.694 17.933 19.000 -0.621 0.000 0.814 1419 A HN 0.686 nan 8.150 nan 0.000 0.446 1420 I N -0.835 119.640 120.570 -0.158 0.000 2.252 1420 I HA -0.211 3.974 4.170 0.024 0.000 0.245 1420 I C 2.589 178.621 176.117 -0.141 0.000 1.102 1420 I CA 1.663 62.872 61.300 -0.152 0.000 1.385 1420 I CB -0.621 37.338 38.000 -0.069 0.000 1.064 1420 I HN 0.228 nan 8.210 nan 0.000 0.414 1421 T N 0.694 115.214 114.554 -0.056 0.000 2.699 1421 T HA -0.233 4.132 4.350 0.024 0.000 0.268 1421 T C 1.752 176.444 174.700 -0.013 0.000 1.036 1421 T CA 1.443 63.546 62.100 0.004 0.000 1.147 1421 T CB -0.209 68.668 68.868 0.016 0.000 0.862 1421 T HN 0.301 nan 8.240 nan 0.000 0.446 1422 K N 0.392 120.760 120.400 -0.053 0.000 2.515 1422 K HA 0.132 4.467 4.320 0.024 0.000 0.196 1422 K C 1.820 178.338 176.600 -0.136 0.000 1.038 1422 K CA 0.485 56.737 56.287 -0.059 0.000 0.967 1422 K CB -0.181 32.303 32.500 -0.028 0.000 0.780 1422 K HN 0.401 nan 8.250 nan 0.000 0.483 1423 I N 0.975 121.400 120.570 -0.241 0.000 2.546 1423 I HA -0.242 3.942 4.170 0.024 0.000 0.255 1423 I C 1.261 177.333 176.117 -0.075 0.000 1.163 1423 I CA 0.982 62.046 61.300 -0.393 0.000 1.457 1423 I CB -0.349 37.149 38.000 -0.837 0.000 1.092 1423 I HN 0.223 nan 8.210 nan 0.000 0.434 1424 N N 1.114 119.874 118.700 0.101 0.000 2.184 1424 N HA -0.229 4.525 4.740 0.024 0.000 0.190 1424 N C 1.488 177.032 175.510 0.057 0.000 1.011 1424 N CA 1.144 54.281 53.050 0.144 0.000 0.867 1424 N CB -0.101 38.444 38.487 0.097 0.000 0.993 1424 N HN 0.342 nan 8.380 nan 0.000 0.433 1425 K N 0.182 120.590 120.400 0.012 0.000 2.504 1425 K HA 0.044 4.379 4.320 0.024 0.000 0.195 1425 K C 1.155 177.758 176.600 0.005 0.000 1.036 1425 K CA 0.728 57.017 56.287 0.004 0.000 0.984 1425 K CB 0.305 32.801 32.500 -0.007 0.000 0.788 1425 K HN 0.170 nan 8.250 nan 0.000 0.488 1426 K N -0.944 119.458 120.400 0.002 0.000 2.511 1426 K HA 0.111 4.446 4.320 0.024 0.000 0.209 1426 K C -0.157 176.483 176.600 0.068 0.000 1.301 1426 K CA -0.048 56.245 56.287 0.010 0.000 0.967 1426 K CB 0.767 33.225 32.500 -0.069 0.000 1.109 1426 K HN -0.051 nan 8.250 nan 0.000 0.561 1427 N N 0.521 119.283 118.700 0.104 0.000 2.324 1427 N HA 0.188 4.943 4.740 0.024 0.000 0.285 1427 N C -1.264 174.336 175.510 0.149 0.000 1.076 1427 N CA -0.196 52.966 53.050 0.186 0.000 0.864 1427 N CB 1.569 40.258 38.487 0.337 0.000 1.632 1427 N HN -0.096 nan 8.380 nan 0.000 0.478 1428 N N 1.850 120.609 118.700 0.100 0.000 2.238 1428 N HA 0.127 4.882 4.740 0.024 0.000 0.235 1428 N C 0.025 175.534 175.510 -0.002 0.000 1.209 1428 N CA -0.174 52.892 53.050 0.028 0.000 0.879 1428 N CB 0.395 38.893 38.487 0.019 0.000 1.136 1428 N HN 0.476 nan 8.380 nan 0.000 0.517 1429 N N 0.049 118.768 118.700 0.031 0.000 2.409 1429 N HA -0.005 4.749 4.740 0.024 0.000 0.179 1429 N C 0.503 175.948 175.510 -0.107 0.000 1.032 1429 N CA 0.595 53.652 53.050 0.011 0.000 0.898 1429 N CB 0.583 39.142 38.487 0.120 0.000 0.971 1429 N HN 0.055 nan 8.380 nan 0.000 0.441 1430 S N -1.213 114.300 115.700 -0.311 0.000 2.724 1430 S HA 0.487 4.971 4.470 0.024 0.000 0.278 1430 S C -2.003 172.212 174.600 -0.642 0.000 1.190 1430 S CA -0.699 57.214 58.200 -0.477 0.000 0.860 1430 S CB 0.476 63.331 63.200 -0.575 0.000 1.206 1430 S HN -0.157 nan 8.310 nan 0.000 0.507 1431 I N 2.585 122.828 120.570 -0.545 0.000 2.377 1431 I HA 0.432 4.616 4.170 0.024 0.000 0.293 1431 I C -1.280 174.551 176.117 -0.476 0.000 0.987 1431 I CA -0.279 60.766 61.300 -0.424 0.000 1.185 1431 I CB 0.854 38.744 38.000 -0.184 0.000 1.341 1431 I HN 0.478 nan 8.210 nan 0.000 0.455 1432 F N 5.253 125.197 119.950 -0.009 0.000 2.388 1432 F HA 0.271 4.813 4.527 0.026 0.000 0.358 1432 F C 1.287 177.083 175.800 -0.007 0.000 1.122 1432 F CA -0.835 57.160 58.000 -0.007 0.000 1.056 1432 F CB 0.655 39.639 39.000 -0.027 0.000 1.155 1432 F HN 0.482 nan 8.300 nan 0.000 0.461 1433 N N 1.007 119.806 118.700 0.165 0.000 2.412 1433 N HA 0.148 4.903 4.740 0.024 0.000 0.184 1433 N C 1.424 176.985 175.510 0.085 0.000 1.101 1433 N CA 0.730 53.838 53.050 0.096 0.000 0.881 1433 N CB 0.297 38.824 38.487 0.067 0.000 0.969 1433 N HN 0.801 nan 8.380 nan 0.000 0.459 1434 G N -0.169 108.694 108.800 0.105 0.000 2.176 1434 G HA2 -0.229 3.745 3.960 0.024 0.000 0.232 1434 G HA3 -0.229 3.745 3.960 0.024 0.000 0.232 1434 G C 0.168 175.094 174.900 0.043 0.000 0.986 1434 G CA 0.329 45.452 45.100 0.040 0.000 0.643 1434 G HN 0.405 nan 8.290 nan 0.000 0.522 1435 D N 0.253 120.710 120.400 0.096 0.000 2.369 1435 D HA 0.252 4.906 4.640 0.024 0.000 0.211 1435 D C 1.882 178.271 176.300 0.149 0.000 1.077 1435 D CA 0.333 54.407 54.000 0.123 0.000 0.842 1435 D CB 0.172 41.038 40.800 0.110 0.000 0.947 1435 D HN 0.457 nan 8.370 nan 0.000 0.509 1436 E N -0.287 120.006 120.200 0.156 0.000 2.204 1436 E HA -0.095 4.269 4.350 0.024 0.000 0.195 1436 E C 1.196 177.897 176.600 0.169 0.000 0.990 1436 E CA 0.750 57.256 56.400 0.177 0.000 0.821 1436 E CB -0.113 29.726 29.700 0.232 0.000 0.750 1436 E HN 0.211 nan 8.360 nan 0.000 0.477 1437 c N 0.318 119.020 118.600 0.170 0.000 2.614 1437 c HA 0.617 5.201 4.570 0.024 0.000 0.299 1437 c C 0.845 175.129 174.090 0.322 0.000 1.293 1437 c CA 0.027 56.474 56.329 0.197 0.000 1.713 1437 c CB -1.323 41.247 42.510 0.100 0.000 1.890 1437 c HN 0.457 nan 8.230 nan 0.000 0.602 1438 G N 0.499 109.463 108.800 0.274 0.000 2.742 1438 G HA2 0.027 4.002 3.960 0.024 0.000 0.686 1438 G HA3 0.027 4.002 3.960 0.024 0.000 0.686 1438 G C 0.147 175.243 174.900 0.328 0.000 1.220 1438 G CA -0.170 45.066 45.100 0.226 0.000 0.783 1438 G HN 0.697 nan 8.290 nan 0.000 0.646 1439 V N -1.423 118.601 119.914 0.184 0.000 2.667 1439 V HA 0.328 4.462 4.120 0.024 0.000 0.252 1439 V C 1.244 177.442 176.094 0.174 0.000 1.065 1439 V CA 2.176 64.592 62.300 0.193 0.000 1.083 1439 V CB -0.316 31.564 31.823 0.095 0.000 0.692 1439 V HN 1.121 nan 8.190 nan 0.000 0.468 1440 S N 1.269 116.925 115.700 -0.073 0.000 2.607 1440 S HA 0.633 5.117 4.470 0.024 0.000 0.303 1440 S C -2.691 171.256 174.600 -1.088 0.000 1.086 1440 S CA -0.955 57.005 58.200 -0.400 0.000 0.995 1440 S CB 1.939 64.999 63.200 -0.232 0.000 1.084 1440 S HN 0.368 nan 8.310 nan 0.000 0.507 1441 P HA 0.253 nan 4.420 nan 0.000 0.270 1441 P C -2.657 174.169 177.300 -0.790 0.000 1.223 1441 P CA -1.142 60.890 63.100 -1.780 0.000 0.785 1441 P CB -0.891 30.218 31.700 -0.984 0.000 0.923 1442 P HA 0.293 nan 4.420 nan 0.000 0.274 1442 P C -0.271 176.998 177.300 -0.052 0.000 1.237 1442 P CA 0.244 63.225 63.100 -0.198 0.000 0.793 1442 P CB 0.619 32.277 31.700 -0.070 0.000 0.977 1449 Q N 1.665 121.304 119.800 -0.267 0.000 2.152 1449 Q HA -0.194 4.161 4.340 0.024 0.000 0.206 1449 Q C 1.596 177.304 176.000 -0.486 0.000 0.985 1449 Q CA 2.279 57.842 55.803 -0.399 0.000 0.863 1449 Q CB 0.219 28.651 28.738 -0.511 0.000 0.904 1449 Q HN 0.533 nan 8.270 nan 0.000 0.422 1450 S N -1.014 114.380 115.700 -0.510 0.000 2.382 1450 S HA -0.121 4.363 4.470 0.024 0.000 0.228 1450 S C 1.912 176.585 174.600 0.122 0.000 1.027 1450 S CA 1.361 59.452 58.200 -0.182 0.000 0.991 1450 S CB -0.581 62.486 63.200 -0.223 0.000 0.823 1450 S HN 0.256 nan 8.310 nan 0.000 0.469 1451 V N 1.657 121.630 119.914 0.099 0.000 2.358 1451 V HA -0.113 4.022 4.120 0.024 0.000 0.246 1451 V C 3.004 179.198 176.094 0.167 0.000 1.047 1451 V CA 1.903 64.290 62.300 0.145 0.000 1.035 1451 V CB -1.257 30.600 31.823 0.056 0.000 0.658 1451 V HN 0.679 nan 8.190 nan 0.000 0.452 1452 S N -1.223 114.563 115.700 0.144 0.000 2.370 1452 S HA -0.225 4.259 4.470 0.024 0.000 0.226 1452 S C 1.704 176.580 174.600 0.460 0.000 1.033 1452 S CA 1.819 60.160 58.200 0.235 0.000 1.011 1452 S CB -0.374 62.936 63.200 0.183 0.000 0.852 1452 S HN 0.666 nan 8.310 nan 0.000 0.457 1453 W N 0.807 122.276 121.300 0.281 0.000 2.381 1453 W HA 0.078 4.756 4.660 0.030 0.000 0.301 1453 W C 2.157 178.992 176.519 0.527 0.000 1.205 1453 W CA -0.050 57.538 57.345 0.406 0.000 1.285 1453 W CB -1.537 28.154 29.460 0.384 0.000 1.133 1453 W HN 0.379 nan 8.180 nan 0.000 0.521 1454 F N 1.485 121.676 119.950 0.401 0.000 2.146 1454 F HA -0.124 4.418 4.527 0.024 0.000 0.298 1454 F C 2.025 177.967 175.800 0.236 0.000 1.096 1454 F CA 1.472 59.582 58.000 0.183 0.000 1.275 1454 F CB -0.729 38.250 39.000 -0.035 0.000 1.008 1454 F HN -0.161 nan 8.300 nan 0.000 0.480 1455 K N 0.130 120.679 120.400 0.248 0.000 2.057 1455 K HA -0.237 4.098 4.320 0.024 0.000 0.207 1455 K C 2.115 178.872 176.600 0.262 0.000 1.049 1455 K CA 1.747 58.169 56.287 0.225 0.000 0.931 1455 K CB -0.336 32.323 32.500 0.265 0.000 0.714 1455 K HN 0.349 nan 8.250 nan 0.000 0.440 1456 E N 0.002 120.416 120.200 0.357 0.000 2.058 1456 E HA -0.246 4.119 4.350 0.024 0.000 0.194 1456 E C 1.823 178.669 176.600 0.410 0.000 0.997 1456 E CA 1.371 57.989 56.400 0.363 0.000 0.801 1456 E CB -0.185 29.812 29.700 0.495 0.000 0.746 1456 E HN 0.417 nan 8.360 nan 0.000 0.450 1457 W N 0.951 122.387 121.300 0.227 0.000 2.318 1457 W HA -0.160 4.512 4.660 0.020 0.000 0.313 1457 W C 2.084 178.614 176.519 0.019 0.000 1.221 1457 W CA 2.464 59.649 57.345 -0.267 0.000 1.266 1457 W CB -0.716 28.381 29.460 -0.605 0.000 1.150 1457 W HN 0.175 nan 8.180 nan 0.000 0.496 1458 G N -0.338 108.682 108.800 0.368 0.000 2.433 1458 G HA2 -0.340 3.634 3.960 0.024 0.000 0.216 1458 G HA3 -0.340 3.634 3.960 0.024 0.000 0.216 1458 G C 1.359 176.326 174.900 0.112 0.000 1.186 1458 G CA 1.135 46.411 45.100 0.293 0.000 0.779 1458 G HN 0.431 nan 8.290 nan 0.000 0.543 1459 E N -0.112 119.973 120.200 -0.191 0.000 2.070 1459 E HA -0.258 4.106 4.350 0.024 0.000 0.197 1459 E C 2.408 178.956 176.600 -0.087 0.000 1.004 1459 E CA 1.487 57.651 56.400 -0.393 0.000 0.805 1459 E CB -0.202 28.953 29.700 -0.908 0.000 0.744 1459 E HN 0.623 nan 8.360 nan 0.000 0.451 1460 Q N -0.271 119.520 119.800 -0.015 0.000 2.020 1460 Q HA -0.218 4.137 4.340 0.024 0.000 0.202 1460 Q C 2.145 178.149 176.000 0.006 0.000 0.982 1460 Q CA 1.796 57.628 55.803 0.049 0.000 0.838 1460 Q CB -0.340 28.502 28.738 0.175 0.000 0.899 1460 Q HN 0.392 nan 8.270 nan 0.000 0.423 1461 F N 0.640 120.431 119.950 -0.265 0.000 2.091 1461 F HA -0.308 4.232 4.527 0.022 0.000 0.299 1461 F C 2.180 178.019 175.800 0.065 0.000 1.103 1461 F CA 1.840 59.720 58.000 -0.201 0.000 1.228 1461 F CB -0.468 38.144 39.000 -0.646 0.000 0.984 1461 F HN 0.223 nan 8.300 nan 0.000 0.477 1462 c N 0.489 119.102 118.600 0.021 0.000 2.457 1462 c HA -0.054 4.531 4.570 0.024 0.000 0.278 1462 c C 2.751 176.794 174.090 -0.078 0.000 1.309 1462 c CA 0.747 57.063 56.329 -0.021 0.000 1.735 1462 c CB -1.193 41.448 42.510 0.219 0.000 1.992 1462 c HN 0.542 nan 8.230 nan 0.000 0.493 1463 I N 1.030 121.578 120.570 -0.037 0.000 2.179 1463 I HA -0.218 3.966 4.170 0.024 0.000 0.242 1463 I C 2.586 178.646 176.117 -0.094 0.000 1.088 1463 I CA 1.641 62.916 61.300 -0.041 0.000 1.357 1463 I CB -0.602 37.392 38.000 -0.011 0.000 1.051 1463 I HN 0.441 nan 8.210 nan 0.000 0.409 1464 E N 0.488 120.619 120.200 -0.116 0.000 2.085 1464 E HA -0.295 4.069 4.350 0.024 0.000 0.194 1464 E C 2.254 178.788 176.600 -0.111 0.000 0.994 1464 E CA 1.228 57.525 56.400 -0.173 0.000 0.801 1464 E CB -0.253 29.342 29.700 -0.176 0.000 0.743 1464 E HN 0.388 nan 8.360 nan 0.000 0.453 1465 R N 1.177 121.593 120.500 -0.139 0.000 2.083 1465 R HA -0.167 4.188 4.340 0.024 0.000 0.237 1465 R C 2.309 178.649 176.300 0.067 0.000 1.137 1465 R CA 1.258 57.370 56.100 0.020 0.000 0.951 1465 R CB -0.270 29.858 30.300 -0.287 0.000 0.851 1465 R HN 0.164 nan 8.270 nan 0.000 0.434 1466 L N 0.041 121.245 121.223 -0.031 0.000 2.141 1466 L HA -0.096 4.258 4.340 0.024 0.000 0.209 1466 L C 2.699 179.499 176.870 -0.116 0.000 1.094 1466 L CA 1.225 56.032 54.840 -0.054 0.000 0.763 1466 L CB -0.315 41.715 42.059 -0.049 0.000 0.908 1466 L HN 0.250 nan 8.230 nan 0.000 0.437 1467 R N -1.129 119.285 120.500 -0.144 0.000 2.073 1467 R HA -0.134 4.221 4.340 0.024 0.000 0.229 1467 R C 2.270 178.404 176.300 -0.277 0.000 1.120 1467 R CA 1.304 57.269 56.100 -0.226 0.000 0.967 1467 R CB -0.374 29.758 30.300 -0.281 0.000 0.862 1467 R HN 0.242 nan 8.270 nan 0.000 0.436 1468 Y N 0.958 121.151 120.300 -0.179 0.000 2.165 1468 Y HA -0.285 4.279 4.550 0.022 0.000 0.286 1468 Y C 2.543 178.248 175.900 -0.324 0.000 1.155 1468 Y CA 1.734 59.733 58.100 -0.169 0.000 1.164 1468 Y CB -0.147 38.316 38.460 0.006 0.000 0.978 1468 Y HN 0.203 nan 8.280 nan 0.000 0.513 1469 E N -0.014 120.002 120.200 -0.306 0.000 2.058 1469 E HA -0.332 4.033 4.350 0.024 0.000 0.194 1469 E C 2.191 178.549 176.600 -0.403 0.000 0.997 1469 E CA 1.398 57.403 56.400 -0.659 0.000 0.801 1469 E CB -0.071 29.203 29.700 -0.710 0.000 0.746 1469 E HN 0.317 nan 8.360 nan 0.000 0.450 1470 Q N 0.864 120.503 119.800 -0.267 0.000 2.096 1470 Q HA -0.163 4.192 4.340 0.024 0.000 0.204 1470 Q C 1.766 177.654 176.000 -0.186 0.000 0.982 1470 Q CA 1.965 57.646 55.803 -0.204 0.000 0.850 1470 Q CB -0.220 28.418 28.738 -0.166 0.000 0.901 1470 Q HN 0.282 nan 8.270 nan 0.000 0.422 1471 N N -0.211 118.378 118.700 -0.184 0.000 2.084 1471 N HA -0.123 4.631 4.740 0.024 0.000 0.190 1471 N C 1.814 177.241 175.510 -0.137 0.000 1.030 1471 N CA 1.435 54.397 53.050 -0.147 0.000 0.849 1471 N CB -0.342 38.061 38.487 -0.141 0.000 1.012 1471 N HN 0.317 nan 8.380 nan 0.000 0.423 1472 I N 1.088 121.556 120.570 -0.170 0.000 2.163 1472 I HA -0.257 3.928 4.170 0.024 0.000 0.243 1472 I C 2.378 178.389 176.117 -0.178 0.000 1.085 1472 I CA 1.172 62.363 61.300 -0.182 0.000 1.347 1472 I CB -0.122 37.721 38.000 -0.262 0.000 1.044 1472 I HN 0.088 nan 8.210 nan 0.000 0.408 1473 R N 0.367 120.743 120.500 -0.207 0.000 2.096 1473 R HA -0.163 4.192 4.340 0.024 0.000 0.235 1473 R C 2.147 178.374 176.300 -0.121 0.000 1.127 1473 R CA 1.301 57.302 56.100 -0.165 0.000 0.968 1473 R CB -0.231 29.962 30.300 -0.177 0.000 0.861 1473 R HN 0.467 nan 8.270 nan 0.000 0.440 1474 E N 0.037 120.166 120.200 -0.119 0.000 2.150 1474 E HA -0.121 4.243 4.350 0.024 0.000 0.193 1474 E C 1.850 178.402 176.600 -0.081 0.000 0.985 1474 E CA 1.052 57.396 56.400 -0.094 0.000 0.814 1474 E CB 0.053 29.697 29.700 -0.094 0.000 0.752 1474 E HN 0.346 nan 8.360 nan 0.000 0.466 1475 A N 0.021 122.790 122.820 -0.085 0.000 1.975 1475 A HA -0.064 4.271 4.320 0.024 0.000 0.215 1475 A C 2.030 179.573 177.584 -0.068 0.000 1.170 1475 A CA 0.569 52.563 52.037 -0.071 0.000 0.656 1475 A CB 0.002 18.960 19.000 -0.069 0.000 0.821 1475 A HN 0.326 nan 8.150 nan 0.000 0.449 1476 c N -0.565 117.988 118.600 -0.079 0.000 2.906 1476 c HA 0.426 5.010 4.570 0.024 0.000 0.274 1476 c C 0.755 174.808 174.090 -0.061 0.000 1.257 1476 c CA 0.175 56.462 56.329 -0.070 0.000 1.695 1476 c CB -1.226 41.234 42.510 -0.084 0.000 1.958 1476 c HN 0.486 nan 8.230 nan 0.000 0.619 1484 K N 2.857 123.245 120.400 -0.020 0.000 2.562 1484 K HA 0.198 4.533 4.320 0.024 0.000 0.201 1484 K C -0.647 175.945 176.600 -0.012 0.000 1.131 1484 K CA -0.266 56.011 56.287 -0.016 0.000 1.059 1484 K CB 0.763 33.256 32.500 -0.012 0.000 0.913 1484 K HN 0.350 nan 8.250 nan 0.000 0.563 1485 K N 1.243 121.634 120.400 -0.014 0.000 2.319 1485 K HA -0.004 4.330 4.320 0.024 0.000 0.277 1485 K C -0.337 176.257 176.600 -0.009 0.000 1.111 1485 K CA 0.315 56.595 56.287 -0.011 0.000 1.093 1485 K CB -0.096 32.396 32.500 -0.013 0.000 0.910 1485 K HN 0.004 nan 8.250 nan 0.000 0.452 1486 c N 5.803 124.400 118.600 -0.004 0.000 2.356 1486 c HA 0.321 4.905 4.570 0.024 0.000 0.324 1486 c C 0.076 174.168 174.090 0.004 0.000 1.167 1486 c CA -1.132 55.198 56.329 0.001 0.000 1.420 1486 c CB -0.178 42.335 42.510 0.005 0.000 2.036 1486 c HN 0.662 nan 8.230 nan 0.000 0.435 1487 I N 4.826 125.399 120.570 0.004 0.000 2.692 1487 I HA 0.093 4.277 4.170 0.024 0.000 0.284 1487 I C 0.699 176.820 176.117 0.008 0.000 1.159 1487 I CA 0.537 61.840 61.300 0.005 0.000 1.423 1487 I CB 0.185 38.188 38.000 0.005 0.000 1.380 1487 I HN 0.616 nan 8.210 nan 0.000 0.580 1488 N N 4.320 123.024 118.700 0.006 0.000 2.415 1488 N HA 0.220 4.975 4.740 0.024 0.000 0.248 1488 N C 0.093 175.608 175.510 0.008 0.000 1.271 1488 N CA -0.148 52.906 53.050 0.007 0.000 0.913 1488 N CB 0.802 39.292 38.487 0.005 0.000 1.129 1488 N HN 0.714 nan 8.380 nan 0.000 0.444 1495 D N 0.499 120.907 120.400 0.014 0.000 2.229 1495 D HA 0.702 5.357 4.640 0.024 0.000 0.249 1495 D C -0.350 175.963 176.300 0.022 0.000 1.027 1495 D CA 0.016 54.025 54.000 0.015 0.000 0.923 1495 D CB 1.908 42.715 40.800 0.013 0.000 1.174 1495 D HN 0.178 nan 8.370 nan 0.000 0.443 1496 K N 0.331 120.745 120.400 0.023 0.000 2.316 1496 K HA 0.473 4.808 4.320 0.024 0.000 0.251 1496 K C -0.255 176.364 176.600 0.031 0.000 0.934 1496 K CA -0.729 55.578 56.287 0.034 0.000 0.802 1496 K CB 1.633 34.154 32.500 0.034 0.000 1.171 1496 K HN 0.426 nan 8.250 nan 0.000 0.426 1497 I N -0.513 120.081 120.570 0.040 0.000 2.836 1497 I HA 0.256 4.440 4.170 0.024 0.000 0.285 1497 I C -0.105 176.021 176.117 0.016 0.000 1.174 1497 I CA -0.142 61.168 61.300 0.018 0.000 1.405 1497 I CB 0.678 38.677 38.000 -0.002 0.000 1.385 1497 I HN 0.391 nan 8.210 nan 0.000 0.594 1498 Q N 3.761 123.561 119.800 -0.001 0.000 2.418 1498 Q HA 0.497 4.851 4.340 0.024 0.000 0.282 1498 Q C -0.044 175.951 176.000 -0.007 0.000 1.044 1498 Q CA 0.253 56.057 55.803 0.003 0.000 0.813 1498 Q CB 2.130 30.870 28.738 0.004 0.000 1.428 1498 Q HN 1.199 nan 8.270 nan 0.000 0.402 1499 G N 2.067 110.866 108.800 -0.002 0.000 2.550 1499 G HA2 -0.384 3.590 3.960 0.024 0.000 0.277 1499 G HA3 -0.384 3.590 3.960 0.024 0.000 0.277 1499 G C 0.793 175.685 174.900 -0.012 0.000 1.190 1499 G CA 1.189 46.286 45.100 -0.005 0.000 0.971 1499 G HN 1.295 nan 8.290 nan 0.000 0.559 1500 A N -1.162 121.647 122.820 -0.019 0.000 1.908 1500 A HA -0.022 4.313 4.320 0.024 0.000 0.218 1500 A C 2.877 180.438 177.584 -0.039 0.000 1.181 1500 A CA 3.246 55.267 52.037 -0.025 0.000 0.627 1500 A CB -1.272 17.710 19.000 -0.030 0.000 0.818 1500 A HN 1.950 nan 8.150 nan 0.000 0.445 1501 c N -0.360 118.211 118.600 -0.049 0.000 2.413 1501 c HA -0.147 4.438 4.570 0.024 0.000 0.278 1501 c C 2.679 176.705 174.090 -0.106 0.000 1.224 1501 c CA 1.857 58.141 56.329 -0.077 0.000 1.732 1501 c CB -1.110 41.359 42.510 -0.069 0.000 2.050 1501 c HN 0.681 nan 8.230 nan 0.000 0.463 1502 K N -0.049 120.303 120.400 -0.080 0.000 2.103 1502 K HA -0.212 4.122 4.320 0.024 0.000 0.207 1502 K C 2.537 179.104 176.600 -0.055 0.000 1.048 1502 K CA 1.655 57.892 56.287 -0.085 0.000 0.930 1502 K CB -0.397 32.099 32.500 -0.007 0.000 0.716 1502 K HN 0.550 nan 8.250 nan 0.000 0.444 1503 R N 0.397 120.886 120.500 -0.017 0.000 2.066 1503 R HA -0.099 4.256 4.340 0.024 0.000 0.232 1503 R C 2.006 178.326 176.300 0.032 0.000 1.131 1503 R CA 1.383 57.494 56.100 0.019 0.000 0.955 1503 R CB 0.065 30.377 30.300 0.020 0.000 0.851 1503 R HN 0.005 nan 8.270 nan 0.000 0.432 1504 K N 0.266 120.668 120.400 0.004 0.000 2.097 1504 K HA -0.121 4.214 4.320 0.024 0.000 0.206 1504 K C 2.144 178.778 176.600 0.056 0.000 1.049 1504 K CA 1.247 57.556 56.287 0.036 0.000 0.933 1504 K CB -0.676 31.814 32.500 -0.016 0.000 0.717 1504 K HN 0.319 nan 8.250 nan 0.000 0.442 1505 c N 1.102 119.652 118.600 -0.084 0.000 2.446 1505 c HA -0.049 4.535 4.570 0.024 0.000 0.277 1505 c C 2.542 176.643 174.090 0.018 0.000 1.275 1505 c CA 0.516 56.714 56.329 -0.217 0.000 1.727 1505 c CB -0.636 41.390 42.510 -0.808 0.000 2.010 1505 c HN 0.541 nan 8.230 nan 0.000 0.486 1506 E N 0.707 120.956 120.200 0.082 0.000 2.150 1506 E HA -0.180 4.185 4.350 0.024 0.000 0.193 1506 E C 2.137 178.867 176.600 0.217 0.000 0.985 1506 E CA 0.973 57.530 56.400 0.262 0.000 0.814 1506 E CB -0.060 29.764 29.700 0.207 0.000 0.752 1506 E HN 0.610 nan 8.360 nan 0.000 0.466 1507 K N 0.071 120.591 120.400 0.200 0.000 2.057 1507 K HA -0.200 4.134 4.320 0.024 0.000 0.207 1507 K C 2.040 178.722 176.600 0.135 0.000 1.049 1507 K CA 1.425 57.853 56.287 0.235 0.000 0.931 1507 K CB -0.268 32.436 32.500 0.340 0.000 0.714 1507 K HN 0.189 nan 8.250 nan 0.000 0.440 1508 Y N 1.980 122.247 120.300 -0.055 0.000 2.181 1508 Y HA -0.257 4.308 4.550 0.024 0.000 0.288 1508 Y C 2.398 178.275 175.900 -0.039 0.000 1.146 1508 Y CA 1.597 59.511 58.100 -0.309 0.000 1.164 1508 Y CB 0.097 38.521 38.460 -0.060 0.000 0.982 1508 Y HN -0.083 nan 8.280 nan 0.000 0.515 1509 K N 0.799 121.268 120.400 0.115 0.000 2.032 1509 K HA -0.292 4.043 4.320 0.024 0.000 0.209 1509 K C 2.324 178.905 176.600 -0.031 0.000 1.048 1509 K CA 2.007 58.319 56.287 0.042 0.000 0.927 1509 K CB -0.278 32.352 32.500 0.216 0.000 0.712 1509 K HN 0.273 nan 8.250 nan 0.000 0.441 1510 K N -0.318 120.107 120.400 0.041 0.000 2.032 1510 K HA -0.246 4.089 4.320 0.024 0.000 0.209 1510 K C 2.237 178.860 176.600 0.039 0.000 1.048 1510 K CA 1.842 58.162 56.287 0.054 0.000 0.927 1510 K CB -0.383 32.182 32.500 0.107 0.000 0.712 1510 K HN 0.219 nan 8.250 nan 0.000 0.441 1511 Y N 1.685 121.894 120.300 -0.151 0.000 2.097 1511 Y HA -0.271 4.292 4.550 0.022 0.000 0.282 1511 Y C 1.930 177.776 175.900 -0.091 0.000 1.152 1511 Y CA 1.612 59.618 58.100 -0.156 0.000 1.136 1511 Y CB -0.325 37.846 38.460 -0.482 0.000 0.975 1511 Y HN 0.034 nan 8.280 nan 0.000 0.498 1512 I N 0.464 120.830 120.570 -0.340 0.000 2.194 1512 I HA -0.327 3.857 4.170 0.024 0.000 0.246 1512 I C 2.717 178.797 176.117 -0.062 0.000 1.093 1512 I CA 2.035 63.160 61.300 -0.291 0.000 1.355 1512 I CB -1.946 35.757 38.000 -0.496 0.000 1.046 1512 I HN 0.470 nan 8.210 nan 0.000 0.413 1513 S N 0.265 115.929 115.700 -0.059 0.000 2.399 1513 S HA -0.178 4.306 4.470 0.024 0.000 0.231 1513 S C 1.772 176.390 174.600 0.031 0.000 1.022 1513 S CA 1.134 59.340 58.200 0.008 0.000 0.983 1513 S CB -0.461 62.742 63.200 0.005 0.000 0.803 1513 S HN 0.546 nan 8.310 nan 0.000 0.480 1514 E N 0.761 120.968 120.200 0.012 0.000 2.112 1514 E HA 0.017 4.381 4.350 0.024 0.000 0.190 1514 E C 1.910 178.536 176.600 0.043 0.000 0.979 1514 E CA 0.676 57.097 56.400 0.035 0.000 0.814 1514 E CB 0.055 29.792 29.700 0.061 0.000 0.762 1514 E HN 0.345 nan 8.360 nan 0.000 0.460 1515 K N 0.992 121.400 120.400 0.012 0.000 2.296 1515 K HA -0.069 4.265 4.320 0.024 0.000 0.200 1515 K C 1.874 178.531 176.600 0.096 0.000 1.048 1515 K CA 0.599 56.962 56.287 0.126 0.000 0.966 1515 K CB -0.061 32.510 32.500 0.119 0.000 0.754 1515 K HN -0.073 nan 8.250 nan 0.000 0.466 1516 K N 2.495 122.969 120.400 0.123 0.000 2.020 1516 K HA -0.260 4.074 4.320 0.024 0.000 0.212 1516 K C 2.122 178.647 176.600 -0.124 0.000 1.050 1516 K CA 2.153 58.443 56.287 0.005 0.000 0.929 1516 K CB -0.229 32.379 32.500 0.180 0.000 0.714 1516 K HN 0.345 nan 8.250 nan 0.000 0.443 1517 Q N -0.023 119.737 119.800 -0.067 0.000 2.124 1517 Q HA -0.190 4.165 4.340 0.024 0.000 0.202 1517 Q C 1.819 177.700 176.000 -0.199 0.000 0.977 1517 Q CA 1.861 57.602 55.803 -0.104 0.000 0.850 1517 Q CB -0.350 28.357 28.738 -0.051 0.000 0.901 1517 Q HN 0.473 nan 8.270 nan 0.000 0.429 1518 E N 0.340 120.426 120.200 -0.191 0.000 2.077 1518 E HA -0.169 4.196 4.350 0.024 0.000 0.193 1518 E C 1.709 177.864 176.600 -0.741 0.000 0.989 1518 E CA 1.143 57.331 56.400 -0.354 0.000 0.800 1518 E CB -0.381 29.245 29.700 -0.124 0.000 0.746 1518 E HN 0.563 nan 8.360 nan 0.000 0.452 1519 W N 2.393 123.109 121.300 -0.973 0.000 2.354 1519 W HA -0.203 4.470 4.660 0.022 0.000 0.315 1519 W C 1.120 177.163 176.519 -0.794 0.000 1.206 1519 W CA 1.436 58.066 57.345 -1.191 0.000 1.290 1519 W CB -0.183 28.393 29.460 -1.474 0.000 1.152 1519 W HN 0.032 nan 8.180 nan 0.000 0.489 1520 D N 0.600 120.644 120.400 -0.592 0.000 2.104 1520 D HA -0.207 4.447 4.640 0.024 0.000 0.194 1520 D C 2.105 178.074 176.300 -0.551 0.000 0.994 1520 D CA 1.883 55.573 54.000 -0.516 0.000 0.830 1520 D CB -0.453 40.198 40.800 -0.248 0.000 0.959 1520 D HN 0.247 nan 8.370 nan 0.000 0.452 1521 K N 0.416 120.527 120.400 -0.482 0.000 2.020 1521 K HA -0.184 4.150 4.320 0.024 0.000 0.212 1521 K C 2.321 178.578 176.600 -0.572 0.000 1.050 1521 K CA 1.271 57.302 56.287 -0.428 0.000 0.929 1521 K CB -0.212 32.088 32.500 -0.333 0.000 0.714 1521 K HN 0.253 nan 8.250 nan 0.000 0.443 1522 Q N 0.628 119.908 119.800 -0.867 0.000 2.083 1522 Q HA -0.130 4.224 4.340 0.024 0.000 0.198 1522 Q C 2.193 177.415 176.000 -1.296 0.000 0.969 1522 Q CA 1.148 56.218 55.803 -1.222 0.000 0.838 1522 Q CB -0.063 27.512 28.738 -1.938 0.000 0.900 1522 Q HN 0.238 nan 8.270 nan 0.000 0.436 1523 K N 0.433 120.039 120.400 -1.323 0.000 2.044 1523 K HA -0.188 4.146 4.320 0.024 0.000 0.210 1523 K C 1.906 178.226 176.600 -0.467 0.000 1.049 1523 K CA 1.856 57.591 56.287 -0.920 0.000 0.927 1523 K CB -0.094 31.570 32.500 -1.392 0.000 0.713 1523 K HN 0.109 nan 8.250 nan 0.000 0.443 1524 T N 1.216 115.492 114.554 -0.462 0.000 2.708 1524 T HA -0.153 4.212 4.350 0.024 0.000 0.266 1524 T C 1.785 176.355 174.700 -0.216 0.000 1.037 1524 T CA 1.685 63.615 62.100 -0.283 0.000 1.146 1524 T CB -0.171 68.540 68.868 -0.261 0.000 0.865 1524 T HN 0.373 nan 8.240 nan 0.000 0.435 1525 K N -0.103 120.150 120.400 -0.245 0.000 2.009 1525 K HA -0.203 4.131 4.320 0.024 0.000 0.210 1525 K C 2.243 178.795 176.600 -0.079 0.000 1.049 1525 K CA 1.582 57.769 56.287 -0.168 0.000 0.929 1525 K CB -0.403 31.989 32.500 -0.179 0.000 0.714 1525 K HN 0.384 nan 8.250 nan 0.000 0.440 1526 Y N 1.711 121.909 120.300 -0.170 0.000 2.114 1526 Y HA -0.180 4.384 4.550 0.024 0.000 0.284 1526 Y C 1.762 177.707 175.900 0.074 0.000 1.143 1526 Y CA 2.111 60.232 58.100 0.035 0.000 1.135 1526 Y CB -0.040 38.484 38.460 0.107 0.000 0.980 1526 Y HN 0.224 nan 8.280 nan 0.000 0.499 1527 E N -0.399 119.774 120.200 -0.044 0.000 2.274 1527 E HA -0.154 4.211 4.350 0.024 0.000 0.194 1527 E C 1.209 177.719 176.600 -0.150 0.000 0.996 1527 E CA 1.017 57.346 56.400 -0.119 0.000 0.840 1527 E CB -0.214 29.477 29.700 -0.016 0.000 0.772 1527 E HN 0.747 nan 8.360 nan 0.000 0.491 1528 N N 0.232 118.842 118.700 -0.150 0.000 2.280 1528 N HA -0.047 4.707 4.740 0.024 0.000 0.192 1528 N C 1.238 176.625 175.510 -0.206 0.000 1.109 1528 N CA 0.217 53.174 53.050 -0.154 0.000 0.855 1528 N CB 0.186 38.599 38.487 -0.124 0.000 0.974 1528 N HN -0.058 nan 8.380 nan 0.000 0.482 1529 K N -0.200 120.038 120.400 -0.270 0.000 2.067 1529 K HA 0.036 4.371 4.320 0.024 0.000 0.203 1529 K C -0.388 175.838 176.600 -0.624 0.000 1.048 1529 K CA 0.619 56.640 56.287 -0.443 0.000 0.954 1529 K CB 0.022 32.222 32.500 -0.500 0.000 0.737 1529 K HN 0.160 nan 8.250 nan 0.000 0.444 1530 Y N 2.308 122.378 120.300 -0.384 0.000 2.802 1530 Y HA 0.155 4.718 4.550 0.023 0.000 0.330 1530 Y C -0.337 175.384 175.900 -0.298 0.000 1.193 1530 Y CA -1.223 56.644 58.100 -0.388 0.000 1.427 1530 Y CB 0.544 38.627 38.460 -0.628 0.000 1.357 1530 Y HN -0.131 nan 8.280 nan 0.000 0.501 1531 V N 0.183 120.025 119.914 -0.119 0.000 2.599 1531 V HA 0.451 4.585 4.120 0.024 0.000 0.300 1531 V C 1.084 177.153 176.094 -0.040 0.000 1.034 1531 V CA 0.283 62.533 62.300 -0.084 0.000 1.115 1531 V CB 0.574 32.347 31.823 -0.083 0.000 0.934 1531 V HN 1.001 nan 8.190 nan 0.000 0.485 1532 G N 2.973 111.756 108.800 -0.028 0.000 2.184 1532 G HA2 -0.256 3.719 3.960 0.024 0.000 0.264 1532 G HA3 -0.256 3.719 3.960 0.024 0.000 0.264 1532 G C 0.237 175.146 174.900 0.016 0.000 0.975 1532 G CA 0.663 45.761 45.100 -0.003 0.000 0.642 1532 G HN 0.889 nan 8.290 nan 0.000 0.536 1533 K N 0.447 120.849 120.400 0.005 0.000 2.138 1533 K HA 0.577 4.911 4.320 0.024 0.000 0.263 1533 K C -0.124 176.548 176.600 0.121 0.000 0.965 1533 K CA -0.097 56.220 56.287 0.050 0.000 0.868 1533 K CB 1.753 34.260 32.500 0.013 0.000 1.083 1533 K HN 0.173 nan 8.250 nan 0.000 0.443 1534 S N 1.220 117.037 115.700 0.195 0.000 2.462 1534 S HA 0.347 4.831 4.470 0.024 0.000 0.294 1534 S C 0.886 175.651 174.600 0.276 0.000 1.144 1534 S CA -0.450 57.878 58.200 0.213 0.000 1.088 1534 S CB 1.483 64.777 63.200 0.157 0.000 1.009 1534 S HN 0.683 nan 8.310 nan 0.000 0.484 1535 A N 4.114 127.081 122.820 0.245 0.000 1.902 1535 A HA -0.012 4.322 4.320 0.024 0.000 0.217 1535 A C 2.452 180.018 177.584 -0.031 0.000 1.181 1535 A CA 2.064 54.117 52.037 0.027 0.000 0.623 1535 A CB -1.428 17.547 19.000 -0.042 0.000 0.818 1535 A HN 1.012 nan 8.150 nan 0.000 0.443 1536 S N -0.149 115.663 115.700 0.187 0.000 2.359 1536 S HA -0.228 4.256 4.470 0.024 0.000 0.224 1536 S C 1.703 176.397 174.600 0.157 0.000 1.035 1536 S CA 1.907 60.239 58.200 0.221 0.000 1.018 1536 S CB -0.559 62.891 63.200 0.417 0.000 0.876 1536 S HN 0.559 nan 8.310 nan 0.000 0.448 1537 D N 0.969 121.443 120.400 0.124 0.000 2.117 1537 D HA -0.078 4.577 4.640 0.024 0.000 0.197 1537 D C 1.952 178.255 176.300 0.005 0.000 0.987 1537 D CA 1.086 55.136 54.000 0.083 0.000 0.829 1537 D CB -0.649 40.203 40.800 0.086 0.000 0.961 1537 D HN 0.400 nan 8.370 nan 0.000 0.460 1538 L N 0.682 121.859 121.223 -0.077 0.000 2.013 1538 L HA -0.186 4.169 4.340 0.024 0.000 0.212 1538 L C 2.182 178.941 176.870 -0.185 0.000 1.073 1538 L CA 1.590 56.305 54.840 -0.209 0.000 0.753 1538 L CB -0.471 41.277 42.059 -0.518 0.000 0.890 1538 L HN 0.030 nan 8.230 nan 0.000 0.432 1539 L N -1.121 120.010 121.223 -0.153 0.000 2.109 1539 L HA -0.152 4.203 4.340 0.024 0.000 0.207 1539 L C 2.526 179.482 176.870 0.143 0.000 1.086 1539 L CA 1.261 56.117 54.840 0.026 0.000 0.760 1539 L CB -0.577 41.491 42.059 0.015 0.000 0.910 1539 L HN 0.219 nan 8.230 nan 0.000 0.437 1540 K N 0.430 120.924 120.400 0.157 0.000 2.155 1540 K HA -0.152 4.183 4.320 0.024 0.000 0.203 1540 K C 1.948 178.579 176.600 0.052 0.000 1.052 1540 K CA 1.269 57.656 56.287 0.166 0.000 0.948 1540 K CB 0.007 32.624 32.500 0.196 0.000 0.728 1540 K HN 0.459 nan 8.250 nan 0.000 0.448 1541 E N 0.556 120.749 120.200 -0.012 0.000 2.274 1541 E HA -0.119 4.246 4.350 0.024 0.000 0.194 1541 E C 1.393 177.903 176.600 -0.149 0.000 0.996 1541 E CA 0.869 57.234 56.400 -0.057 0.000 0.840 1541 E CB 0.028 29.695 29.700 -0.056 0.000 0.772 1541 E HN 0.200 nan 8.360 nan 0.000 0.491 1542 N N -0.394 118.130 118.700 -0.293 0.000 2.436 1542 N HA 0.023 4.778 4.740 0.024 0.000 0.178 1542 N C -0.443 174.627 175.510 -0.734 0.000 1.026 1542 N CA 0.582 53.236 53.050 -0.660 0.000 0.880 1542 N CB 0.385 38.206 38.487 -1.110 0.000 1.061 1542 N HN 0.179 nan 8.380 nan 0.000 0.434 1543 Y N 0.285 120.626 120.300 0.068 0.000 2.326 1543 Y HA 0.349 4.915 4.550 0.025 0.000 0.331 1543 Y C -1.729 174.236 175.900 0.109 0.000 0.962 1543 Y CA -2.038 56.125 58.100 0.105 0.000 1.167 1543 Y CB 1.982 40.519 38.460 0.127 0.000 1.148 1543 Y HN -0.040 nan 8.280 nan 0.000 0.463 1544 P HA -0.146 nan 4.420 nan 0.000 0.219 1544 P C 0.682 178.069 177.300 0.145 0.000 1.146 1544 P CA 1.349 64.536 63.100 0.145 0.000 0.808 1544 P CB 0.432 32.203 31.700 0.119 0.000 0.779 1545 E N -1.247 119.059 120.200 0.176 0.000 2.265 1545 E HA -0.131 4.234 4.350 0.024 0.000 0.196 1545 E C 1.588 178.271 176.600 0.138 0.000 0.996 1545 E CA 0.915 57.394 56.400 0.131 0.000 0.832 1545 E CB -1.060 28.707 29.700 0.111 0.000 0.756 1545 E HN 0.268 nan 8.360 nan 0.000 0.491 1546 c N 0.045 118.776 118.600 0.218 0.000 2.562 1546 c HA 0.162 4.747 4.570 0.024 0.000 0.266 1546 c C 2.258 176.434 174.090 0.143 0.000 1.382 1546 c CA -0.358 56.120 56.329 0.248 0.000 1.742 1546 c CB -0.906 41.883 42.510 0.465 0.000 1.812 1546 c HN 0.420 nan 8.230 nan 0.000 0.559 1547 I N 2.061 122.698 120.570 0.112 0.000 2.208 1547 I HA -0.196 3.988 4.170 0.024 0.000 0.245 1547 I C 2.512 178.642 176.117 0.023 0.000 1.097 1547 I CA 2.168 63.512 61.300 0.075 0.000 1.363 1547 I CB -0.289 37.748 38.000 0.062 0.000 1.051 1547 I HN 0.408 nan 8.210 nan 0.000 0.413 1548 S N 0.570 116.269 115.700 -0.002 0.000 2.603 1548 S HA 0.247 4.732 4.470 0.024 0.000 0.220 1548 S C 0.990 175.525 174.600 -0.108 0.000 0.967 1548 S CA -0.100 58.078 58.200 -0.037 0.000 0.920 1548 S CB -0.278 62.915 63.200 -0.012 0.000 0.773 1548 S HN 0.243 nan 8.310 nan 0.000 0.529 1549 A N 2.571 125.285 122.820 -0.177 0.000 2.347 1549 A HA 0.463 4.797 4.320 0.024 0.000 0.287 1549 A C 0.170 177.482 177.584 -0.453 0.000 1.199 1549 A CA -0.575 51.214 52.037 -0.413 0.000 0.851 1549 A CB -0.111 18.464 19.000 -0.707 0.000 1.118 1549 A HN 0.360 nan 8.150 nan 0.000 0.525 1550 N N 3.279 121.788 118.700 -0.319 0.000 2.558 1550 N HA 0.226 4.980 4.740 0.024 0.000 0.233 1550 N C 0.071 175.491 175.510 -0.149 0.000 1.038 1550 N CA -0.534 52.424 53.050 -0.154 0.000 0.934 1550 N CB -0.202 38.236 38.487 -0.083 0.000 1.175 1550 N HN 0.478 nan 8.380 nan 0.000 0.512 1551 F N 1.119 121.064 119.950 -0.007 0.000 2.171 1551 F HA -0.092 4.449 4.527 0.024 0.000 0.300 1551 F C 1.957 177.727 175.800 -0.050 0.000 1.090 1551 F CA 0.874 58.783 58.000 -0.151 0.000 1.293 1551 F CB 0.129 38.940 39.000 -0.315 0.000 1.013 1551 F HN 0.405 nan 8.300 nan 0.000 0.486 1552 D N -0.460 120.090 120.400 0.250 0.000 2.117 1552 D HA -0.207 4.448 4.640 0.024 0.000 0.197 1552 D C 2.158 178.493 176.300 0.059 0.000 0.987 1552 D CA 1.222 55.337 54.000 0.192 0.000 0.829 1552 D CB -0.544 40.370 40.800 0.189 0.000 0.961 1552 D HN 0.238 nan 8.370 nan 0.000 0.460 1553 F N 1.441 121.342 119.950 -0.081 0.000 2.113 1553 F HA -0.101 4.440 4.527 0.024 0.000 0.297 1553 F C 2.330 178.007 175.800 -0.205 0.000 1.103 1553 F CA 0.951 58.867 58.000 -0.140 0.000 1.248 1553 F CB -0.231 38.694 39.000 -0.126 0.000 0.999 1553 F HN -0.174 nan 8.300 nan 0.000 0.475 1554 I N -0.867 119.630 120.570 -0.122 0.000 2.163 1554 I HA -0.330 3.855 4.170 0.024 0.000 0.243 1554 I C 1.317 177.064 176.117 -0.617 0.000 1.085 1554 I CA 1.599 62.635 61.300 -0.440 0.000 1.347 1554 I CB -0.469 37.109 38.000 -0.704 0.000 1.044 1554 I HN 0.026 nan 8.210 nan 0.000 0.408 1555 F N -0.068 119.765 119.950 -0.195 0.000 2.684 1555 F HA 0.211 4.752 4.527 0.024 0.000 0.298 1555 F C 0.836 176.555 175.800 -0.136 0.000 1.120 1555 F CA -0.533 57.368 58.000 -0.164 0.000 1.332 1555 F CB -0.297 38.577 39.000 -0.210 0.000 0.986 1555 F HN -0.025 nan 8.300 nan 0.000 0.524 1556 N N 1.749 120.351 118.700 -0.163 0.000 2.411 1556 N HA -0.107 4.648 4.740 0.024 0.000 0.261 1556 N C 0.201 175.577 175.510 -0.223 0.000 1.248 1556 N CA 0.679 53.531 53.050 -0.331 0.000 0.885 1556 N CB 0.574 38.532 38.487 -0.881 0.000 1.062 1556 N HN 0.151 nan 8.380 nan 0.000 0.471 1557 D N 1.819 122.136 120.400 -0.137 0.000 2.388 1557 D HA 0.142 4.796 4.640 0.024 0.000 0.221 1557 D C -0.395 175.882 176.300 -0.038 0.000 1.133 1557 D CA -0.137 53.831 54.000 -0.053 0.000 0.831 1557 D CB 0.028 40.823 40.800 -0.009 0.000 0.962 1557 D HN 0.420 nan 8.370 nan 0.000 0.502 1558 N N 0.186 118.835 118.700 -0.086 0.000 2.467 1558 N HA 0.118 4.872 4.740 0.024 0.000 0.262 1558 N C 1.603 177.217 175.510 0.173 0.000 1.234 1558 N CA -0.203 52.883 53.050 0.059 0.000 0.952 1558 N CB 1.011 39.571 38.487 0.122 0.000 1.158 1558 N HN 0.012 nan 8.380 nan 0.000 0.463 1559 I N 0.776 121.444 120.570 0.163 0.000 2.179 1559 I HA -0.286 3.899 4.170 0.024 0.000 0.242 1559 I C 2.200 178.419 176.117 0.170 0.000 1.088 1559 I CA 1.300 62.680 61.300 0.133 0.000 1.357 1559 I CB -0.127 37.929 38.000 0.093 0.000 1.051 1559 I HN 0.676 nan 8.210 nan 0.000 0.409 1560 E N 0.196 120.523 120.200 0.211 0.000 2.152 1560 E HA -0.226 4.138 4.350 0.024 0.000 0.192 1560 E C 2.087 178.800 176.600 0.188 0.000 0.983 1560 E CA 1.079 57.596 56.400 0.195 0.000 0.818 1560 E CB -0.591 29.121 29.700 0.020 0.000 0.758 1560 E HN 0.497 nan 8.360 nan 0.000 0.467 1561 Y N 1.962 122.341 120.300 0.132 0.000 2.165 1561 Y HA -0.215 4.350 4.550 0.024 0.000 0.286 1561 Y C 2.614 178.571 175.900 0.095 0.000 1.155 1561 Y CA 1.775 59.984 58.100 0.182 0.000 1.164 1561 Y CB -0.213 38.268 38.460 0.035 0.000 0.978 1561 Y HN 0.011 nan 8.280 nan 0.000 0.513 1562 K N 0.244 120.751 120.400 0.177 0.000 2.032 1562 K HA -0.208 4.127 4.320 0.024 0.000 0.209 1562 K C 2.020 178.599 176.600 -0.035 0.000 1.048 1562 K CA 2.178 58.496 56.287 0.051 0.000 0.927 1562 K CB -0.295 32.223 32.500 0.029 0.000 0.712 1562 K HN 0.450 nan 8.250 nan 0.000 0.441 1563 T N -2.121 112.390 114.554 -0.072 0.000 2.851 1563 T HA -0.083 4.282 4.350 0.024 0.000 0.262 1563 T C 1.853 176.324 174.700 -0.382 0.000 1.043 1563 T CA 0.854 62.811 62.100 -0.239 0.000 1.140 1563 T CB -0.510 68.165 68.868 -0.321 0.000 0.872 1563 T HN 0.254 nan 8.240 nan 0.000 0.446 1564 Y N 0.752 120.862 120.300 -0.317 0.000 2.420 1564 Y HA 0.231 4.795 4.550 0.024 0.000 0.292 1564 Y C 0.296 175.803 175.900 -0.656 0.000 1.119 1564 Y CA -0.004 57.750 58.100 -0.576 0.000 1.229 1564 Y CB 0.049 37.990 38.460 -0.864 0.000 1.026 1564 Y HN 0.271 nan 8.280 nan 0.000 0.554 1565 Y N -0.887 119.470 120.300 0.094 0.000 2.748 1565 Y HA 0.358 4.923 4.550 0.024 0.000 0.359 1565 Y C -2.144 173.750 175.900 -0.010 0.000 1.030 1565 Y CA -3.545 54.614 58.100 0.099 0.000 1.169 1565 Y CB 0.378 38.936 38.460 0.163 0.000 1.127 1565 Y HN -0.058 nan 8.280 nan 0.000 0.644 1566 P HA -0.134 nan 4.420 nan 0.000 0.220 1566 P C -0.090 176.876 177.300 -0.557 0.000 1.148 1566 P CA 1.661 64.534 63.100 -0.378 0.000 0.803 1566 P CB 0.080 31.415 31.700 -0.609 0.000 0.782 1567 Y N -1.533 118.886 120.300 0.198 0.000 2.713 1567 Y HA 0.464 5.028 4.550 0.023 0.000 0.269 1567 Y C 1.747 177.828 175.900 0.301 0.000 1.106 1567 Y CA -0.159 58.087 58.100 0.244 0.000 1.174 1567 Y CB -0.216 38.401 38.460 0.260 0.000 1.186 1567 Y HN -0.037 nan 8.280 nan 0.000 0.555 1568 G N 1.646 110.618 108.800 0.288 0.000 2.634 1568 G HA2 -0.453 3.522 3.960 0.024 0.000 0.309 1568 G HA3 -0.453 3.522 3.960 0.024 0.000 0.309 1568 G C 1.071 176.195 174.900 0.373 0.000 1.265 1568 G CA 0.868 46.111 45.100 0.239 0.000 0.998 1568 G HN 0.469 nan 8.290 nan 0.000 0.551 1569 D N -0.398 120.150 120.400 0.246 0.000 2.350 1569 D HA -0.021 4.634 4.640 0.024 0.000 0.216 1569 D C 1.397 177.678 176.300 -0.031 0.000 0.968 1569 D CA 1.609 55.627 54.000 0.030 0.000 0.894 1569 D CB -0.210 40.457 40.800 -0.221 0.000 0.909 1569 D HN 0.505 nan 8.370 nan 0.000 0.520 1570 Y N 0.485 120.888 120.300 0.171 0.000 2.607 1570 Y HA 0.322 4.886 4.550 0.023 0.000 0.266 1570 Y C 2.079 178.077 175.900 0.164 0.000 1.178 1570 Y CA -1.115 57.020 58.100 0.058 0.000 1.226 1570 Y CB 0.108 38.482 38.460 -0.144 0.000 1.144 1570 Y HN -0.117 nan 8.280 nan 0.000 0.528 1571 S N -0.591 115.350 115.700 0.402 0.000 2.400 1571 S HA -0.180 4.305 4.470 0.024 0.000 0.232 1571 S C 2.193 176.969 174.600 0.295 0.000 1.025 1571 S CA 1.716 60.168 58.200 0.419 0.000 0.993 1571 S CB -0.119 63.360 63.200 0.464 0.000 0.808 1571 S HN 0.412 nan 8.310 nan 0.000 0.478 1572 S N 1.315 117.152 115.700 0.229 0.000 2.406 1572 S HA 0.117 4.601 4.470 0.024 0.000 0.228 1572 S C 1.683 176.340 174.600 0.096 0.000 1.020 1572 S CA 0.684 58.973 58.200 0.150 0.000 0.965 1572 S CB -0.285 62.984 63.200 0.115 0.000 0.798 1572 S HN 0.501 nan 8.310 nan 0.000 0.488 1573 I N 0.269 120.888 120.570 0.083 0.000 2.617 1573 I HA -0.039 4.146 4.170 0.024 0.000 0.256 1573 I C 0.616 176.731 176.117 -0.003 0.000 1.167 1573 I CA 0.449 61.754 61.300 0.008 0.000 1.469 1573 I CB -0.288 37.672 38.000 -0.066 0.000 1.098 1573 I HN 0.203 nan 8.210 nan 0.000 0.436 1574 c N 2.087 120.713 118.600 0.043 0.000 2.534 1574 c HA 0.426 5.011 4.570 0.024 0.000 0.435 1574 c C 1.108 175.252 174.090 0.091 0.000 1.329 1574 c CA -0.424 55.897 56.329 -0.014 0.000 1.675 1574 c CB -2.252 40.183 42.510 -0.126 0.000 2.384 1574 c HN 0.573 nan 8.230 nan 0.000 0.605 1575 S N -1.206 114.535 115.700 0.069 0.000 2.752 1575 S HA 0.689 5.173 4.470 0.024 0.000 0.284 1575 S C -1.096 173.532 174.600 0.045 0.000 1.189 1575 S CA -0.552 57.698 58.200 0.084 0.000 0.835 1575 S CB 0.946 64.209 63.200 0.105 0.000 1.192 1575 S HN 0.324 nan 8.310 nan 0.000 0.506 1576 c N 1.883 120.509 118.600 0.044 0.000 2.408 1576 c HA 0.914 5.498 4.570 0.024 0.000 0.321 1576 c C -0.200 173.905 174.090 0.025 0.000 1.245 1576 c CA -0.018 56.328 56.329 0.028 0.000 1.523 1576 c CB 0.094 42.620 42.510 0.025 0.000 2.178 1576 c HN 0.992 nan 8.230 nan 0.000 0.488 1577 E N 0.000 120.210 120.200 0.017 0.000 2.725 1577 E HA 0.000 4.364 4.350 0.024 0.000 0.291 1577 E CA 0.000 56.408 56.400 0.014 0.000 0.976 1577 E CB 0.000 29.708 29.700 0.014 0.000 0.812 1577 E HN 0.000 nan 8.360 nan 0.000 0.440