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 3cml_1_A DATA FIRST_RESID 1228 DATA SEQUENCE RGcQSKTYDG KIFPGKGGEK QWIcKDTIIH GDTNGAcIPP RTQNLcVGEL DATA SEQUENCE WDXXXXXRSN IKNDTKELLK EKIKNAIHKE TELLYEYHDT GTAIISKNDK DATA SEQUENCE XXXXXXXXXN GLPKGFcHAV QRSFIDYKNM ILGTSVNIYE HIGKLQEDIK DATA SEQUENCE KIIEKGTPQQ XXXXXXXXXS TENVNAWWKG IEREMWDAVR CAITKINKKN DATA SEQUENCE NNSIFNGDEc GVSPPTGNDE DQSVSWFKEW GEQFcIERLR YEQNIREAcT DATA SEQUENCE INGKNEKKXX XXXXXXGDKI QGAcKRKcEK YKKYISEKKQ EWDKQKTKYE DATA SEQUENCE NKYVGKSASD LLKENYPEcI SANFDFIFND NIEYKTYYPY GDYSSIcS 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 1228 R HA 0.000 nan 4.340 nan 0.000 0.208 1228 R C 0.000 176.324 176.300 0.040 0.000 0.893 1228 R CA 0.000 56.120 56.100 0.033 0.000 0.921 1228 R CB 0.000 30.318 30.300 0.030 0.000 0.687 1229 G N -0.245 108.578 108.800 0.038 0.000 2.484 1229 G HA2 0.229 4.233 3.960 0.073 0.000 0.225 1229 G HA3 0.229 4.233 3.960 0.073 0.000 0.225 1229 G C 0.553 175.484 174.900 0.052 0.000 1.250 1229 G CA 0.511 45.636 45.100 0.042 0.000 0.926 1229 G HN 2.463 nan 8.290 nan 0.000 0.581 1230 c N 0.067 118.702 118.600 0.057 0.000 4.024 1230 c HA -0.013 4.600 4.570 0.073 0.000 0.310 1230 c C 0.760 174.889 174.090 0.064 0.000 1.182 1230 c CA 1.336 57.707 56.329 0.070 0.000 2.238 1230 c CB -2.381 40.180 42.510 0.085 0.000 1.361 1230 c HN 0.903 nan 8.230 nan 0.000 0.626 1231 Q N 0.156 119.987 119.800 0.051 0.000 2.427 1231 Q HA 0.623 5.006 4.340 0.073 0.000 0.232 1231 Q C 0.476 176.501 176.000 0.041 0.000 1.018 1231 Q CA -0.680 55.151 55.803 0.046 0.000 0.965 1231 Q CB 0.675 29.434 28.738 0.035 0.000 1.232 1231 Q HN 0.550 nan 8.270 nan 0.000 0.510 1232 S N 1.553 117.277 115.700 0.040 0.000 2.558 1232 S HA -0.000 4.513 4.470 0.073 0.000 0.293 1232 S C -0.071 174.507 174.600 -0.037 0.000 1.292 1232 S CA -0.051 58.170 58.200 0.035 0.000 1.063 1232 S CB 0.182 63.419 63.200 0.060 0.000 0.831 1232 S HN 0.207 nan 8.310 nan 0.000 0.499 1233 K N 2.203 122.511 120.400 -0.153 0.000 2.380 1233 K HA 0.106 4.470 4.320 0.073 0.000 0.267 1233 K C 1.245 177.542 176.600 -0.504 0.000 0.990 1233 K CA 0.219 56.239 56.287 -0.445 0.000 0.946 1233 K CB 0.238 32.163 32.500 -0.958 0.000 0.937 1233 K HN 0.857 nan 8.250 nan 0.000 0.491 1234 T N -2.819 111.512 114.554 -0.373 0.000 3.328 1234 T HA 0.049 4.443 4.350 0.073 0.000 0.305 1234 T C 1.103 175.757 174.700 -0.076 0.000 0.939 1234 T CA -0.416 61.602 62.100 -0.137 0.000 0.950 1234 T CB -0.549 68.307 68.868 -0.021 0.000 1.182 1234 T HN 0.521 nan 8.240 nan 0.000 0.545 1235 Y N 0.781 120.974 120.300 -0.179 0.000 2.497 1235 Y HA 0.360 4.955 4.550 0.075 0.000 0.292 1235 Y C 0.707 176.641 175.900 0.056 0.000 1.137 1235 Y CA 0.360 58.420 58.100 -0.066 0.000 1.285 1235 Y CB -0.305 38.073 38.460 -0.136 0.000 0.991 1235 Y HN 0.117 nan 8.280 nan 0.000 0.556 1236 D N 0.323 120.700 120.400 -0.037 0.000 2.501 1236 D HA 0.380 5.064 4.640 0.073 0.000 0.224 1236 D C 0.447 176.781 176.300 0.056 0.000 1.202 1236 D CA 0.878 54.909 54.000 0.052 0.000 0.829 1236 D CB 0.736 41.516 40.800 -0.035 0.000 1.023 1236 D HN 0.511 nan 8.370 nan 0.000 0.499 1237 G N 0.737 109.591 108.800 0.091 0.000 2.525 1237 G HA2 -0.134 3.870 3.960 0.073 0.000 0.685 1237 G HA3 -0.134 3.870 3.960 0.073 0.000 0.685 1237 G C -0.658 174.313 174.900 0.117 0.000 1.285 1237 G CA -1.128 44.018 45.100 0.076 0.000 0.849 1237 G HN 0.005 nan 8.290 nan 0.000 0.653 1238 K N -0.041 120.409 120.400 0.084 0.000 2.319 1238 K HA 0.372 4.735 4.320 0.073 0.000 0.265 1238 K C 0.904 177.562 176.600 0.098 0.000 1.000 1238 K CA -0.192 56.151 56.287 0.094 0.000 0.943 1238 K CB 0.880 33.407 32.500 0.045 0.000 0.950 1238 K HN 0.416 nan 8.250 nan 0.000 0.485 1239 I N 2.872 123.513 120.570 0.119 0.000 2.556 1239 I HA -0.037 4.176 4.170 0.073 0.000 0.284 1239 I C 0.608 176.780 176.117 0.091 0.000 1.114 1239 I CA -0.298 61.056 61.300 0.090 0.000 1.418 1239 I CB 0.076 38.138 38.000 0.103 0.000 1.394 1239 I HN 0.440 nan 8.210 nan 0.000 0.552 1240 F N 9.035 128.965 119.950 -0.032 0.000 2.642 1240 F HA 0.035 4.606 4.527 0.073 0.000 0.371 1240 F C -1.303 174.490 175.800 -0.012 0.000 1.120 1240 F CA -1.021 56.964 58.000 -0.025 0.000 1.331 1240 F CB 0.340 39.316 39.000 -0.039 0.000 1.044 1240 F HN 0.393 nan 8.300 nan 0.000 0.594 1241 P HA 0.100 nan 4.420 nan 0.000 0.242 1241 P C 0.106 177.145 177.300 -0.435 0.000 1.197 1241 P CA 0.387 62.790 63.100 -1.163 0.000 0.765 1241 P CB -0.289 30.895 31.700 -0.860 0.000 0.936 1242 G N 0.225 108.909 108.800 -0.192 0.000 2.391 1242 G HA2 0.262 4.266 3.960 0.073 0.000 0.234 1242 G HA3 0.262 4.266 3.960 0.073 0.000 0.234 1242 G C 0.987 175.872 174.900 -0.025 0.000 1.284 1242 G CA 0.263 45.320 45.100 -0.072 0.000 0.873 1242 G HN 0.323 nan 8.290 nan 0.000 0.549 1243 K N 1.713 122.105 120.400 -0.012 0.000 2.293 1243 K HA 0.553 4.917 4.320 0.073 0.000 0.198 1243 K C 1.866 178.485 176.600 0.033 0.000 1.066 1243 K CA 1.375 57.671 56.287 0.014 0.000 1.070 1243 K CB -1.040 31.465 32.500 0.007 0.000 1.374 1243 K HN 0.987 nan 8.250 nan 0.000 0.461 1244 G N -2.538 106.281 108.800 0.032 0.000 3.387 1244 G HA2 0.398 4.402 3.960 0.073 0.000 0.195 1244 G HA3 0.398 4.402 3.960 0.073 0.000 0.195 1244 G C 1.306 176.231 174.900 0.043 0.000 1.853 1244 G CA 0.868 45.992 45.100 0.041 0.000 0.879 1244 G HN 1.762 nan 8.290 nan 0.000 0.651 1245 G N -0.261 108.565 108.800 0.043 0.000 2.143 1245 G HA2 -0.227 3.777 3.960 0.073 0.000 0.249 1245 G HA3 -0.227 3.777 3.960 0.073 0.000 0.249 1245 G C 0.424 175.357 174.900 0.054 0.000 0.981 1245 G CA 0.726 45.851 45.100 0.043 0.000 0.665 1245 G HN 0.981 nan 8.290 nan 0.000 0.528 1246 E N 0.938 121.177 120.200 0.065 0.000 2.398 1246 E HA 0.383 4.777 4.350 0.073 0.000 0.263 1246 E C 0.175 176.827 176.600 0.086 0.000 1.046 1246 E CA 0.070 56.520 56.400 0.083 0.000 0.908 1246 E CB 0.995 30.751 29.700 0.093 0.000 0.963 1246 E HN 0.465 nan 8.360 nan 0.000 0.431 1247 K N 1.326 121.783 120.400 0.095 0.000 2.139 1247 K HA 0.243 4.606 4.320 0.073 0.000 0.243 1247 K C 0.140 176.782 176.600 0.070 0.000 0.983 1247 K CA -0.711 55.614 56.287 0.064 0.000 0.890 1247 K CB 1.203 33.720 32.500 0.029 0.000 1.090 1247 K HN 0.644 nan 8.250 nan 0.000 0.445 1248 Q N -0.068 119.765 119.800 0.055 0.000 2.433 1248 Q HA 0.324 4.708 4.340 0.073 0.000 0.279 1248 Q C -1.243 174.798 176.000 0.068 0.000 1.105 1248 Q CA -1.006 54.869 55.803 0.119 0.000 0.815 1248 Q CB 0.888 29.732 28.738 0.176 0.000 1.403 1248 Q HN 0.422 nan 8.270 nan 0.000 0.435 1249 W N 1.546 122.905 121.300 0.097 0.000 2.264 1249 W HA 0.265 4.968 4.660 0.072 0.000 0.331 1249 W C -0.311 176.231 176.519 0.039 0.000 1.364 1249 W CA 0.113 57.500 57.345 0.071 0.000 1.253 1249 W CB 0.351 29.915 29.460 0.174 0.000 1.215 1249 W HN 0.410 nan 8.180 nan 0.000 0.561 1250 I N 5.007 125.675 120.570 0.163 0.000 2.354 1250 I HA 0.192 4.406 4.170 0.073 0.000 0.286 1250 I C -0.531 175.653 176.117 0.112 0.000 1.007 1250 I CA -0.616 60.750 61.300 0.111 0.000 1.167 1250 I CB 0.433 38.471 38.000 0.062 0.000 1.320 1250 I HN 0.224 nan 8.210 nan 0.000 0.458 1251 c N 6.264 124.920 118.600 0.093 0.000 2.330 1251 c HA 0.479 5.093 4.570 0.073 0.000 0.344 1251 c C 0.267 174.374 174.090 0.029 0.000 1.273 1251 c CA -0.838 55.519 56.329 0.047 0.000 1.879 1251 c CB 0.353 42.856 42.510 -0.011 0.000 2.376 1251 c HN 0.559 nan 8.230 nan 0.000 0.534 1252 K N 1.812 122.230 120.400 0.030 0.000 2.270 1252 K HA 0.298 4.662 4.320 0.073 0.000 0.255 1252 K C -0.972 175.624 176.600 -0.007 0.000 0.936 1252 K CA -0.484 55.816 56.287 0.021 0.000 0.809 1252 K CB 1.651 34.181 32.500 0.051 0.000 1.131 1252 K HN 0.639 nan 8.250 nan 0.000 0.427 1253 D N 2.147 122.536 120.400 -0.018 0.000 2.426 1253 D HA 0.049 4.733 4.640 0.073 0.000 0.261 1253 D C 0.139 176.420 176.300 -0.032 0.000 1.245 1253 D CA 1.011 54.990 54.000 -0.035 0.000 0.917 1253 D CB 0.193 40.974 40.800 -0.032 0.000 1.123 1253 D HN 0.550 nan 8.370 nan 0.000 0.508 1254 T N 1.183 115.708 114.554 -0.048 0.000 2.727 1254 T HA 0.523 4.917 4.350 0.073 0.000 0.295 1254 T C 0.825 175.494 174.700 -0.052 0.000 0.915 1254 T CA -0.509 61.563 62.100 -0.047 0.000 1.066 1254 T CB -0.129 68.702 68.868 -0.063 0.000 0.891 1254 T HN 0.323 nan 8.240 nan 0.000 0.516 1255 I N 2.541 123.086 120.570 -0.042 0.000 3.639 1255 I HA 0.807 5.021 4.170 0.073 0.000 0.181 1255 I C 1.632 177.719 176.117 -0.050 0.000 1.523 1255 I CA -0.124 61.150 61.300 -0.043 0.000 0.713 1255 I CB -0.974 37.006 38.000 -0.034 0.000 1.888 1255 I HN 1.038 nan 8.210 nan 0.000 0.943 1256 I N 0.644 121.186 120.570 -0.047 0.000 2.618 1256 I HA 0.535 4.749 4.170 0.073 0.000 0.284 1256 I C 0.532 176.616 176.117 -0.055 0.000 1.146 1256 I CA 0.345 61.614 61.300 -0.052 0.000 1.425 1256 I CB -1.529 36.443 38.000 -0.047 0.000 1.383 1256 I HN 1.941 nan 8.210 nan 0.000 0.562 1257 H N 3.666 122.696 119.070 -0.067 0.000 2.675 1257 H HA 0.688 5.287 4.556 0.073 0.000 0.258 1257 H C 0.976 176.254 175.328 -0.083 0.000 1.271 1257 H CA -0.125 55.879 56.048 -0.073 0.000 1.462 1257 H CB 1.015 30.730 29.762 -0.078 0.000 1.467 1257 H HN 1.392 nan 8.280 nan 0.000 0.501 1258 G N -0.831 107.925 108.800 -0.073 0.000 2.662 1258 G HA2 0.250 4.254 3.960 0.073 0.000 0.212 1258 G HA3 0.250 4.254 3.960 0.073 0.000 0.212 1258 G C 0.951 175.805 174.900 -0.078 0.000 1.141 1258 G CA 1.745 46.800 45.100 -0.076 0.000 0.797 1258 G HN 0.778 nan 8.290 nan 0.000 0.531 1259 D N -1.293 119.063 120.400 -0.073 0.000 3.194 1259 D HA 0.507 5.191 4.640 0.073 0.000 0.290 1259 D C 1.820 178.072 176.300 -0.080 0.000 1.280 1259 D CA 1.824 55.782 54.000 -0.071 0.000 1.058 1259 D CB -0.413 40.352 40.800 -0.059 0.000 1.241 1259 D HN 0.423 nan 8.370 nan 0.000 0.421 1260 T N -2.508 111.994 114.554 -0.088 0.000 3.025 1260 T HA 0.593 4.987 4.350 0.073 0.000 0.142 1260 T C 1.505 176.132 174.700 -0.121 0.000 0.865 1260 T CA 2.188 64.224 62.100 -0.108 0.000 0.837 1260 T CB -0.620 68.169 68.868 -0.131 0.000 1.934 1260 T HN 1.772 nan 8.240 nan 0.000 0.331 1261 N N -0.792 117.818 118.700 -0.151 0.000 5.833 1261 N HA 0.449 5.232 4.740 0.073 0.000 0.357 1261 N C 1.086 176.458 175.510 -0.230 0.000 0.922 1261 N CA 0.999 53.961 53.050 -0.147 0.000 1.099 1261 N CB -1.550 36.890 38.487 -0.078 0.000 0.862 1261 N HN 2.564 nan 8.380 nan 0.000 0.427 1262 G N -3.465 105.280 108.800 -0.092 0.000 2.219 1262 G HA2 0.770 4.774 3.960 0.073 0.000 0.304 1262 G HA3 0.770 4.774 3.960 0.073 0.000 0.304 1262 G C 0.560 175.587 174.900 0.212 0.000 1.712 1262 G CA 1.241 46.360 45.100 0.032 0.000 0.905 1262 G HN 2.298 nan 8.290 nan 0.000 0.706 1263 A N 0.299 123.192 122.820 0.121 0.000 1.854 1263 A HA 0.284 4.648 4.320 0.073 0.000 0.214 1263 A C 1.264 178.912 177.584 0.106 0.000 1.192 1263 A CA 1.718 53.777 52.037 0.036 0.000 0.611 1263 A CB -0.343 18.569 19.000 -0.146 0.000 0.832 1263 A HN 1.297 nan 8.150 nan 0.000 0.442 1264 c N 0.380 119.077 118.600 0.161 0.000 2.298 1264 c HA 0.618 5.232 4.570 0.073 0.000 0.323 1264 c C 0.052 174.297 174.090 0.259 0.000 1.284 1264 c CA -0.885 55.578 56.329 0.224 0.000 1.577 1264 c CB -0.182 42.430 42.510 0.169 0.000 2.249 1264 c HN 0.466 nan 8.230 nan 0.000 0.497 1265 I N 5.315 125.850 120.570 -0.060 0.000 2.396 1265 I HA 0.203 4.417 4.170 0.073 0.000 0.289 1265 I C -2.080 173.552 176.117 -0.809 0.000 1.056 1265 I CA -1.343 59.531 61.300 -0.710 0.000 1.365 1265 I CB 0.682 38.382 38.000 -0.501 0.000 1.407 1265 I HN 0.314 nan 8.210 nan 0.000 0.509 1266 P HA 0.134 nan 4.420 nan 0.000 0.271 1266 P C -2.126 174.482 177.300 -1.153 0.000 1.218 1266 P CA -1.233 60.822 63.100 -1.741 0.000 0.780 1266 P CB 0.284 31.244 31.700 -1.233 0.000 0.901 1267 P HA -0.149 nan 4.420 nan 0.000 0.216 1267 P C 1.620 178.494 177.300 -0.710 0.000 1.150 1267 P CA 1.412 64.172 63.100 -0.566 0.000 0.837 1267 P CB -0.026 31.529 31.700 -0.242 0.000 0.786 1268 R N -0.542 119.291 120.500 -1.110 0.000 2.083 1268 R HA -0.127 4.257 4.340 0.073 0.000 0.237 1268 R C 1.779 177.631 176.300 -0.745 0.000 1.137 1268 R CA 2.226 57.486 56.100 -1.400 0.000 0.951 1268 R CB -1.005 28.671 30.300 -1.040 0.000 0.851 1268 R HN 0.127 nan 8.270 nan 0.000 0.434 1269 T N 1.029 115.178 114.554 -0.675 0.000 2.788 1269 T HA -0.154 4.240 4.350 0.073 0.000 0.268 1269 T C 1.662 176.011 174.700 -0.585 0.000 1.044 1269 T CA 1.471 63.219 62.100 -0.588 0.000 1.139 1269 T CB -0.115 68.318 68.868 -0.725 0.000 0.867 1269 T HN 0.452 nan 8.240 nan 0.000 0.454 1270 Q N 0.595 120.065 119.800 -0.550 0.000 2.369 1270 Q HA 0.062 4.445 4.340 0.073 0.000 0.206 1270 Q C 1.723 177.626 176.000 -0.162 0.000 0.963 1270 Q CA 0.521 56.124 55.803 -0.333 0.000 0.894 1270 Q CB 0.024 28.658 28.738 -0.173 0.000 0.965 1270 Q HN 0.244 nan 8.270 nan 0.000 0.475 1271 N N 0.153 118.722 118.700 -0.218 0.000 2.203 1271 N HA 0.033 4.817 4.740 0.073 0.000 0.207 1271 N C -0.618 174.835 175.510 -0.094 0.000 1.130 1271 N CA -0.200 52.788 53.050 -0.104 0.000 0.861 1271 N CB 0.351 38.812 38.487 -0.045 0.000 1.005 1271 N HN 0.111 nan 8.380 nan 0.000 0.507 1272 L N 1.646 122.772 121.223 -0.162 0.000 2.601 1272 L HA -0.031 4.353 4.340 0.073 0.000 0.277 1272 L C 0.301 177.172 176.870 0.001 0.000 1.219 1272 L CA 0.120 54.877 54.840 -0.139 0.000 0.915 1272 L CB 0.028 41.915 42.059 -0.286 0.000 1.160 1272 L HN 0.198 nan 8.230 nan 0.000 0.494 1273 c N 6.641 125.305 118.600 0.106 0.000 2.610 1273 c HA 0.310 4.923 4.570 0.073 0.000 0.382 1273 c C 1.541 175.779 174.090 0.246 0.000 1.287 1273 c CA 0.063 56.495 56.329 0.171 0.000 1.640 1273 c CB -1.546 41.083 42.510 0.199 0.000 2.335 1273 c HN 0.803 nan 8.230 nan 0.000 0.577 1274 V N 4.950 124.968 119.914 0.173 0.000 2.806 1274 V HA 0.356 4.520 4.120 0.073 0.000 0.239 1274 V C 2.264 178.440 176.094 0.137 0.000 1.113 1274 V CA 1.430 63.842 62.300 0.187 0.000 1.137 1274 V CB -1.727 30.183 31.823 0.145 0.000 0.865 1274 V HN 1.185 nan 8.190 nan 0.000 0.482 1275 G N 1.296 110.159 108.800 0.105 0.000 3.285 1275 G HA2 -0.538 3.465 3.960 0.073 0.000 0.360 1275 G HA3 -0.538 3.465 3.960 0.073 0.000 0.360 1275 G C 1.031 175.974 174.900 0.072 0.000 1.870 1275 G CA 2.119 47.267 45.100 0.081 0.000 2.065 1275 G HN 0.594 nan 8.290 nan 0.000 0.941 1276 E N 0.640 120.884 120.200 0.073 0.000 2.097 1276 E HA -0.044 4.350 4.350 0.073 0.000 0.196 1276 E C 2.732 179.372 176.600 0.066 0.000 1.000 1276 E CA 1.512 57.950 56.400 0.062 0.000 0.804 1276 E CB -0.341 29.394 29.700 0.059 0.000 0.740 1276 E HN 0.619 nan 8.360 nan 0.000 0.454 1277 L N -2.180 119.093 121.223 0.084 0.000 2.095 1277 L HA 0.077 4.461 4.340 0.073 0.000 0.204 1277 L C 1.375 178.289 176.870 0.073 0.000 1.080 1277 L CA 1.280 56.172 54.840 0.086 0.000 0.759 1277 L CB -0.287 41.841 42.059 0.115 0.000 0.914 1277 L HN 0.341 nan 8.230 nan 0.000 0.439 1278 W N -0.338 121.008 121.300 0.076 0.000 2.923 1278 W HA 0.525 5.229 4.660 0.073 0.000 0.373 1278 W C -1.591 174.963 176.519 0.059 0.000 1.205 1278 W CA -0.524 56.859 57.345 0.062 0.000 1.180 1278 W CB 0.397 29.896 29.460 0.066 0.000 1.477 1278 W HN 0.033 nan 8.180 nan 0.000 0.581 1286 S N 0.435 116.147 115.700 0.019 0.000 2.565 1286 S HA 0.516 5.029 4.470 0.073 0.000 0.274 1286 S C 0.538 175.152 174.600 0.024 0.000 1.309 1286 S CA -0.096 58.119 58.200 0.025 0.000 1.043 1286 S CB 0.632 63.845 63.200 0.021 0.000 0.939 1286 S HN 0.782 nan 8.310 nan 0.000 0.504 1287 N N 1.485 120.203 118.700 0.030 0.000 2.282 1287 N HA 0.205 4.989 4.740 0.073 0.000 0.240 1287 N C 0.256 175.783 175.510 0.027 0.000 1.182 1287 N CA 0.186 53.252 53.050 0.028 0.000 0.874 1287 N CB 0.057 38.564 38.487 0.033 0.000 1.126 1287 N HN 0.789 nan 8.380 nan 0.000 0.516 1288 I N -4.199 116.386 120.570 0.024 0.000 3.966 1288 I HA 0.359 4.573 4.170 0.073 0.000 0.324 1288 I C 1.609 177.730 176.117 0.006 0.000 1.517 1288 I CA -0.372 60.940 61.300 0.019 0.000 1.117 1288 I CB 0.192 38.209 38.000 0.028 0.000 1.190 1288 I HN -0.240 nan 8.210 nan 0.000 0.466 1289 K N 1.837 122.240 120.400 0.005 0.000 2.089 1289 K HA -0.109 4.255 4.320 0.073 0.000 0.210 1289 K C 1.250 177.845 176.600 -0.008 0.000 1.048 1289 K CA 2.311 58.597 56.287 -0.002 0.000 0.926 1289 K CB -0.950 31.550 32.500 0.000 0.000 0.714 1289 K HN 0.676 nan 8.250 nan 0.000 0.448 1290 N N 0.246 118.943 118.700 -0.005 0.000 2.351 1290 N HA 0.143 4.927 4.740 0.073 0.000 0.254 1290 N C -0.599 174.906 175.510 -0.007 0.000 1.241 1290 N CA 0.570 53.615 53.050 -0.008 0.000 0.883 1290 N CB 0.281 38.765 38.487 -0.005 0.000 1.202 1290 N HN 0.716 nan 8.380 nan 0.000 0.512 1291 D N 0.145 120.540 120.400 -0.007 0.000 2.312 1291 D HA 0.313 4.997 4.640 0.073 0.000 0.248 1291 D C 0.271 176.561 176.300 -0.017 0.000 1.086 1291 D CA -0.055 53.943 54.000 -0.003 0.000 0.948 1291 D CB 1.448 42.253 40.800 0.009 0.000 1.162 1291 D HN -0.072 nan 8.370 nan 0.000 0.446 1292 T N -1.694 112.856 114.554 -0.008 0.000 2.874 1292 T HA 0.275 4.668 4.350 0.073 0.000 0.281 1292 T C 1.656 176.345 174.700 -0.019 0.000 0.994 1292 T CA 0.187 62.277 62.100 -0.017 0.000 1.015 1292 T CB 0.930 69.799 68.868 0.003 0.000 1.028 1292 T HN 0.565 nan 8.240 nan 0.000 0.523 1293 K N 1.524 121.892 120.400 -0.053 0.000 2.147 1293 K HA -0.112 4.251 4.320 0.073 0.000 0.205 1293 K C 1.481 178.168 176.600 0.145 0.000 1.049 1293 K CA 1.586 57.833 56.287 -0.067 0.000 0.936 1293 K CB -0.065 32.303 32.500 -0.219 0.000 0.722 1293 K HN 0.503 nan 8.250 nan 0.000 0.446 1294 E N 1.232 121.504 120.200 0.119 0.000 2.106 1294 E HA -0.069 4.325 4.350 0.073 0.000 0.192 1294 E C 1.885 178.554 176.600 0.116 0.000 0.984 1294 E CA 0.737 57.219 56.400 0.137 0.000 0.806 1294 E CB -0.100 29.653 29.700 0.088 0.000 0.750 1294 E HN 0.204 nan 8.360 nan 0.000 0.458 1295 L N 0.551 121.824 121.223 0.082 0.000 2.179 1295 L HA -0.009 4.375 4.340 0.073 0.000 0.208 1295 L C 1.969 178.894 176.870 0.091 0.000 1.096 1295 L CA 1.034 55.915 54.840 0.068 0.000 0.779 1295 L CB -0.343 41.742 42.059 0.043 0.000 0.922 1295 L HN 0.287 nan 8.230 nan 0.000 0.443 1296 L N 0.279 121.568 121.223 0.110 0.000 2.017 1296 L HA -0.287 4.097 4.340 0.073 0.000 0.208 1296 L C 2.658 179.666 176.870 0.231 0.000 1.073 1296 L CA 1.686 56.613 54.840 0.145 0.000 0.745 1296 L CB -0.274 41.851 42.059 0.110 0.000 0.894 1296 L HN 0.323 nan 8.230 nan 0.000 0.432 1297 K N -0.373 120.209 120.400 0.304 0.000 2.032 1297 K HA -0.232 4.132 4.320 0.073 0.000 0.209 1297 K C 1.882 178.556 176.600 0.125 0.000 1.048 1297 K CA 1.625 58.069 56.287 0.261 0.000 0.927 1297 K CB 0.035 32.688 32.500 0.256 0.000 0.712 1297 K HN 0.267 nan 8.250 nan 0.000 0.441 1298 E N 0.897 121.156 120.200 0.098 0.000 2.150 1298 E HA -0.151 4.243 4.350 0.073 0.000 0.193 1298 E C 1.877 178.505 176.600 0.048 0.000 0.985 1298 E CA 1.130 57.563 56.400 0.055 0.000 0.814 1298 E CB 0.024 29.749 29.700 0.042 0.000 0.752 1298 E HN 0.367 nan 8.360 nan 0.000 0.466 1299 K N 0.326 120.766 120.400 0.066 0.000 2.057 1299 K HA -0.019 4.345 4.320 0.073 0.000 0.206 1299 K C 2.333 178.961 176.600 0.047 0.000 1.050 1299 K CA 0.836 57.157 56.287 0.058 0.000 0.935 1299 K CB -0.146 32.398 32.500 0.072 0.000 0.715 1299 K HN 0.085 nan 8.250 nan 0.000 0.439 1300 I N 1.432 122.044 120.570 0.070 0.000 2.163 1300 I HA -0.320 3.893 4.170 0.073 0.000 0.243 1300 I C 2.589 178.676 176.117 -0.050 0.000 1.085 1300 I CA 1.295 62.611 61.300 0.027 0.000 1.347 1300 I CB -0.232 37.849 38.000 0.135 0.000 1.044 1300 I HN 0.170 nan 8.210 nan 0.000 0.408 1301 K N 1.312 121.713 120.400 0.002 0.000 2.026 1301 K HA -0.210 4.154 4.320 0.073 0.000 0.208 1301 K C 1.791 178.402 176.600 0.019 0.000 1.048 1301 K CA 2.021 58.313 56.287 0.008 0.000 0.929 1301 K CB -0.158 32.351 32.500 0.016 0.000 0.713 1301 K HN 0.393 nan 8.250 nan 0.000 0.439 1302 N N -0.031 118.676 118.700 0.013 0.000 2.120 1302 N HA -0.160 4.624 4.740 0.073 0.000 0.188 1302 N C 1.838 177.376 175.510 0.046 0.000 1.024 1302 N CA 0.986 54.049 53.050 0.022 0.000 0.852 1302 N CB -0.159 38.333 38.487 0.008 0.000 1.003 1302 N HN 0.258 nan 8.380 nan 0.000 0.424 1303 A N 1.318 124.137 122.820 -0.001 0.000 1.908 1303 A HA -0.128 4.236 4.320 0.073 0.000 0.218 1303 A C 2.129 179.677 177.584 -0.061 0.000 1.181 1303 A CA 1.120 53.151 52.037 -0.010 0.000 0.627 1303 A CB -0.684 18.287 19.000 -0.049 0.000 0.818 1303 A HN 0.206 nan 8.150 nan 0.000 0.445 1304 I N -1.606 118.835 120.570 -0.215 0.000 2.226 1304 I HA -0.266 3.948 4.170 0.073 0.000 0.245 1304 I C 2.477 178.635 176.117 0.068 0.000 1.100 1304 I CA 1.833 63.051 61.300 -0.137 0.000 1.374 1304 I CB -0.474 37.470 38.000 -0.093 0.000 1.057 1304 I HN 0.564 nan 8.210 nan 0.000 0.413 1305 H N 1.030 120.098 119.070 -0.004 0.000 2.321 1305 H HA -0.231 4.368 4.556 0.072 0.000 0.300 1305 H C 2.206 177.567 175.328 0.055 0.000 1.087 1305 H CA 1.933 57.991 56.048 0.016 0.000 1.319 1305 H CB 0.168 29.930 29.762 0.001 0.000 1.379 1305 H HN -0.041 nan 8.280 nan 0.000 0.501 1306 K N 0.602 121.146 120.400 0.241 0.000 2.057 1306 K HA -0.145 4.219 4.320 0.073 0.000 0.206 1306 K C 2.199 178.906 176.600 0.179 0.000 1.050 1306 K CA 1.655 58.061 56.287 0.198 0.000 0.935 1306 K CB -0.156 32.440 32.500 0.159 0.000 0.715 1306 K HN 0.312 nan 8.250 nan 0.000 0.439 1307 E N -0.365 119.955 120.200 0.199 0.000 2.085 1307 E HA -0.148 4.246 4.350 0.073 0.000 0.194 1307 E C 1.552 178.294 176.600 0.237 0.000 0.994 1307 E CA 2.258 58.804 56.400 0.244 0.000 0.801 1307 E CB -0.536 29.386 29.700 0.371 0.000 0.743 1307 E HN 0.362 nan 8.360 nan 0.000 0.453 1308 T N 0.346 115.013 114.554 0.188 0.000 2.746 1308 T HA -0.161 4.233 4.350 0.073 0.000 0.267 1308 T C 1.705 176.573 174.700 0.281 0.000 1.039 1308 T CA 1.385 63.611 62.100 0.211 0.000 1.142 1308 T CB -0.319 68.576 68.868 0.046 0.000 0.866 1308 T HN 0.330 nan 8.240 nan 0.000 0.444 1309 E N 0.651 120.938 120.200 0.146 0.000 2.077 1309 E HA -0.094 4.300 4.350 0.073 0.000 0.193 1309 E C 2.139 178.872 176.600 0.222 0.000 0.989 1309 E CA 0.855 57.337 56.400 0.136 0.000 0.800 1309 E CB -0.161 29.603 29.700 0.106 0.000 0.746 1309 E HN 0.439 nan 8.360 nan 0.000 0.452 1310 L N 0.517 121.873 121.223 0.221 0.000 2.093 1310 L HA -0.155 4.228 4.340 0.073 0.000 0.208 1310 L C 2.540 179.593 176.870 0.305 0.000 1.085 1310 L CA 0.615 55.588 54.840 0.221 0.000 0.755 1310 L CB -0.274 41.886 42.059 0.169 0.000 0.904 1310 L HN 0.229 nan 8.230 nan 0.000 0.435 1311 L N -1.594 119.863 121.223 0.391 0.000 2.141 1311 L HA -0.241 4.143 4.340 0.073 0.000 0.209 1311 L C 2.599 179.844 176.870 0.626 0.000 1.094 1311 L CA 1.162 56.340 54.840 0.563 0.000 0.763 1311 L CB -0.582 41.786 42.059 0.515 0.000 0.908 1311 L HN 0.208 nan 8.230 nan 0.000 0.437 1312 Y N 1.106 121.592 120.300 0.310 0.000 2.097 1312 Y HA -0.339 4.254 4.550 0.072 0.000 0.282 1312 Y C 2.706 178.607 175.900 0.001 0.000 1.152 1312 Y CA 2.186 60.163 58.100 -0.205 0.000 1.136 1312 Y CB -0.086 38.090 38.460 -0.473 0.000 0.975 1312 Y HN 0.201 nan 8.280 nan 0.000 0.498 1313 E N -1.066 119.239 120.200 0.176 0.000 2.085 1313 E HA -0.328 4.066 4.350 0.073 0.000 0.194 1313 E C 2.142 178.798 176.600 0.094 0.000 0.994 1313 E CA 1.583 58.052 56.400 0.115 0.000 0.801 1313 E CB -0.645 29.166 29.700 0.185 0.000 0.743 1313 E HN 0.724 nan 8.360 nan 0.000 0.453 1314 Y N 0.133 120.458 120.300 0.040 0.000 2.224 1314 Y HA -0.230 4.364 4.550 0.073 0.000 0.289 1314 Y C 2.204 177.999 175.900 -0.175 0.000 1.146 1314 Y CA 1.876 59.943 58.100 -0.056 0.000 1.182 1314 Y CB 0.158 38.594 38.460 -0.039 0.000 0.983 1314 Y HN 0.239 nan 8.280 nan 0.000 0.524 1315 H N -2.270 116.774 119.070 -0.043 0.000 2.465 1315 H HA -0.078 4.522 4.556 0.073 0.000 0.289 1315 H C 1.414 176.602 175.328 -0.234 0.000 1.022 1315 H CA 1.007 56.981 56.048 -0.124 0.000 1.340 1315 H CB 0.045 29.823 29.762 0.026 0.000 1.437 1315 H HN 0.364 nan 8.280 nan 0.000 0.539 1316 D N 1.057 121.302 120.400 -0.258 0.000 2.117 1316 D HA -0.115 4.569 4.640 0.073 0.000 0.197 1316 D C 2.048 178.236 176.300 -0.187 0.000 0.987 1316 D CA 1.783 55.576 54.000 -0.346 0.000 0.829 1316 D CB -0.038 40.403 40.800 -0.599 0.000 0.961 1316 D HN 0.392 nan 8.370 nan 0.000 0.460 1317 T N -3.340 111.117 114.554 -0.161 0.000 3.160 1317 T HA 0.223 4.617 4.350 0.073 0.000 0.257 1317 T C 1.571 176.169 174.700 -0.170 0.000 1.147 1317 T CA 0.669 62.694 62.100 -0.125 0.000 1.064 1317 T CB -0.264 68.555 68.868 -0.082 0.000 0.949 1317 T HN 0.242 nan 8.240 nan 0.000 0.526 1318 G N 0.745 109.419 108.800 -0.209 0.000 2.198 1318 G HA2 -0.297 3.707 3.960 0.073 0.000 0.260 1318 G HA3 -0.297 3.707 3.960 0.073 0.000 0.260 1318 G C 0.637 175.351 174.900 -0.310 0.000 1.025 1318 G CA 0.584 45.551 45.100 -0.221 0.000 0.769 1318 G HN 0.563 nan 8.290 nan 0.000 0.507 1319 T N -0.121 114.138 114.554 -0.492 0.000 2.976 1319 T HA 0.453 4.847 4.350 0.073 0.000 0.257 1319 T C 1.818 176.010 174.700 -0.846 0.000 1.051 1319 T CA 1.046 62.753 62.100 -0.655 0.000 1.141 1319 T CB 0.105 68.486 68.868 -0.812 0.000 0.881 1319 T HN 1.460 nan 8.240 nan 0.000 0.461 1320 A N 1.269 123.421 122.820 -1.114 0.000 2.511 1320 A HA 0.323 4.687 4.320 0.073 0.000 0.242 1320 A C 1.486 178.864 177.584 -0.344 0.000 1.069 1320 A CA -0.187 51.383 52.037 -0.778 0.000 0.763 1320 A CB -0.349 18.077 19.000 -0.957 0.000 1.001 1320 A HN 0.439 nan 8.150 nan 0.000 0.498 1321 I N 2.170 122.652 120.570 -0.148 0.000 2.194 1321 I HA -0.306 3.908 4.170 0.073 0.000 0.246 1321 I C 2.111 178.217 176.117 -0.019 0.000 1.093 1321 I CA 2.232 63.500 61.300 -0.053 0.000 1.355 1321 I CB -0.363 37.666 38.000 0.048 0.000 1.046 1321 I HN 0.882 nan 8.210 nan 0.000 0.413 1322 I N -1.374 119.229 120.570 0.055 0.000 3.176 1322 I HA -0.087 4.126 4.170 0.073 0.000 0.275 1322 I C 2.223 178.396 176.117 0.092 0.000 1.298 1322 I CA 1.171 62.532 61.300 0.100 0.000 1.445 1322 I CB -0.354 37.763 38.000 0.194 0.000 1.075 1322 I HN 0.173 nan 8.210 nan 0.000 0.482 1323 S N 0.459 116.175 115.700 0.027 0.000 2.503 1323 S HA 0.148 4.662 4.470 0.073 0.000 0.215 1323 S C 1.733 176.302 174.600 -0.051 0.000 1.003 1323 S CA -0.290 57.921 58.200 0.018 0.000 0.910 1323 S CB -0.140 63.041 63.200 -0.030 0.000 0.790 1323 S HN 0.467 nan 8.310 nan 0.000 0.514 1324 K N 1.903 122.252 120.400 -0.085 0.000 2.097 1324 K HA -0.068 4.296 4.320 0.073 0.000 0.206 1324 K C 2.591 179.145 176.600 -0.076 0.000 1.049 1324 K CA 1.193 57.420 56.287 -0.100 0.000 0.933 1324 K CB -1.139 31.289 32.500 -0.121 0.000 0.717 1324 K HN 0.626 nan 8.250 nan 0.000 0.442 1325 N N 1.456 120.124 118.700 -0.053 0.000 2.048 1325 N HA -0.325 4.459 4.740 0.073 0.000 0.197 1325 N C 1.778 177.265 175.510 -0.039 0.000 1.048 1325 N CA 3.037 56.062 53.050 -0.042 0.000 0.887 1325 N CB -1.643 36.836 38.487 -0.012 0.000 1.081 1325 N HN 0.490 nan 8.380 nan 0.000 0.512 1326 D N -0.961 119.427 120.400 -0.020 0.000 2.685 1326 D HA 0.545 5.229 4.640 0.073 0.000 0.257 1326 D C 1.502 177.789 176.300 -0.022 0.000 1.472 1326 D CA 1.677 55.666 54.000 -0.018 0.000 1.125 1326 D CB -0.938 39.861 40.800 -0.002 0.000 0.969 1326 D HN 0.997 nan 8.370 nan 0.000 0.281 1338 G N 0.402 109.408 108.800 0.342 0.000 3.452 1338 G HA2 0.456 4.460 3.960 0.073 0.000 0.258 1338 G HA3 0.456 4.460 3.960 0.073 0.000 0.258 1338 G C -0.002 175.109 174.900 0.352 0.000 1.305 1338 G CA 0.203 45.473 45.100 0.283 0.000 1.514 1338 G HN 0.658 nan 8.290 nan 0.000 0.593 1339 L N 0.838 122.199 121.223 0.230 0.000 2.397 1339 L HA 0.395 4.779 4.340 0.073 0.000 0.271 1339 L C -1.788 175.111 176.870 0.048 0.000 1.148 1339 L CA -1.894 52.988 54.840 0.070 0.000 0.825 1339 L CB 1.082 43.165 42.059 0.040 0.000 1.117 1339 L HN 0.012 nan 8.230 nan 0.000 0.456 1340 P HA 0.040 nan 4.420 nan 0.000 0.269 1340 P C -0.948 176.374 177.300 0.036 0.000 1.209 1340 P CA -0.322 62.745 63.100 -0.055 0.000 0.776 1340 P CB 0.327 31.900 31.700 -0.210 0.000 0.876 1341 K N 1.811 122.233 120.400 0.036 0.000 2.451 1341 K HA 0.197 4.560 4.320 0.073 0.000 0.280 1341 K C 1.235 177.896 176.600 0.102 0.000 1.020 1341 K CA 0.975 57.288 56.287 0.044 0.000 1.008 1341 K CB -0.553 31.968 32.500 0.036 0.000 0.917 1341 K HN 0.748 nan 8.250 nan 0.000 0.478 1342 G N 4.251 113.058 108.800 0.012 0.000 2.234 1342 G HA2 -0.354 3.650 3.960 0.073 0.000 0.260 1342 G HA3 -0.354 3.650 3.960 0.073 0.000 0.260 1342 G C 0.541 175.333 174.900 -0.181 0.000 0.987 1342 G CA 0.422 45.542 45.100 0.033 0.000 0.625 1342 G HN 0.732 nan 8.290 nan 0.000 0.532 1343 F N 1.641 121.369 119.950 -0.369 0.000 2.069 1343 F HA -0.083 4.489 4.527 0.075 0.000 0.298 1343 F C 2.749 178.407 175.800 -0.236 0.000 1.113 1343 F CA 2.574 60.281 58.000 -0.488 0.000 1.214 1343 F CB -0.841 38.006 39.000 -0.255 0.000 0.978 1343 F HN 0.296 nan 8.300 nan 0.000 0.474 1344 c N 0.389 118.748 118.600 -0.402 0.000 2.413 1344 c HA -0.200 4.413 4.570 0.073 0.000 0.276 1344 c C 2.685 176.699 174.090 -0.127 0.000 1.248 1344 c CA 1.583 57.691 56.329 -0.370 0.000 1.742 1344 c CB -1.830 40.606 42.510 -0.123 0.000 2.017 1344 c HN 0.587 nan 8.230 nan 0.000 0.481 1345 H N 0.415 119.443 119.070 -0.069 0.000 2.353 1345 H HA -0.098 4.502 4.556 0.073 0.000 0.300 1345 H C 2.438 177.776 175.328 0.016 0.000 1.090 1345 H CA 1.227 57.298 56.048 0.038 0.000 1.327 1345 H CB -0.108 29.726 29.762 0.119 0.000 1.383 1345 H HN 0.516 nan 8.280 nan 0.000 0.508 1346 A N 0.702 123.551 122.820 0.048 0.000 1.877 1346 A HA -0.144 4.219 4.320 0.073 0.000 0.216 1346 A C 2.611 180.209 177.584 0.022 0.000 1.186 1346 A CA 1.602 53.670 52.037 0.053 0.000 0.620 1346 A CB -0.808 18.192 19.000 -0.000 0.000 0.822 1346 A HN 0.208 nan 8.150 nan 0.000 0.443 1347 V N -0.118 119.701 119.914 -0.158 0.000 2.407 1347 V HA -0.314 3.850 4.120 0.073 0.000 0.248 1347 V C 2.625 178.825 176.094 0.177 0.000 1.055 1347 V CA 2.252 64.505 62.300 -0.077 0.000 1.049 1347 V CB -0.953 30.633 31.823 -0.395 0.000 0.662 1347 V HN 0.646 nan 8.190 nan 0.000 0.455 1348 Q N -0.326 119.587 119.800 0.188 0.000 2.084 1348 Q HA -0.198 4.186 4.340 0.073 0.000 0.202 1348 Q C 2.491 178.670 176.000 0.298 0.000 0.978 1348 Q CA 1.659 57.638 55.803 0.292 0.000 0.844 1348 Q CB -0.226 28.634 28.738 0.203 0.000 0.898 1348 Q HN 0.577 nan 8.270 nan 0.000 0.426 1349 R N -0.166 120.471 120.500 0.228 0.000 2.081 1349 R HA -0.053 4.331 4.340 0.073 0.000 0.235 1349 R C 2.454 178.868 176.300 0.191 0.000 1.131 1349 R CA 1.446 57.674 56.100 0.214 0.000 0.960 1349 R CB -0.155 30.262 30.300 0.194 0.000 0.856 1349 R HN 0.068 nan 8.270 nan 0.000 0.436 1350 S N 0.389 116.194 115.700 0.174 0.000 2.402 1350 S HA -0.104 4.409 4.470 0.073 0.000 0.229 1350 S C 1.439 176.179 174.600 0.234 0.000 1.021 1350 S CA 0.840 59.098 58.200 0.096 0.000 0.974 1350 S CB -0.208 63.068 63.200 0.126 0.000 0.800 1350 S HN 0.254 nan 8.310 nan 0.000 0.484 1351 F N 2.138 122.266 119.950 0.297 0.000 2.146 1351 F HA -0.017 4.556 4.527 0.077 0.000 0.298 1351 F C 1.792 177.767 175.800 0.292 0.000 1.096 1351 F CA 1.126 59.385 58.000 0.432 0.000 1.275 1351 F CB -0.266 39.040 39.000 0.510 0.000 1.008 1351 F HN 0.108 nan 8.300 nan 0.000 0.480 1352 I N 0.086 120.841 120.570 0.308 0.000 2.286 1352 I HA -0.295 3.918 4.170 0.073 0.000 0.248 1352 I C 1.902 177.996 176.117 -0.038 0.000 1.115 1352 I CA 1.389 62.759 61.300 0.116 0.000 1.392 1352 I CB -0.541 37.539 38.000 0.133 0.000 1.065 1352 I HN 0.080 nan 8.210 nan 0.000 0.418 1353 D N 0.093 120.482 120.400 -0.017 0.000 2.144 1353 D HA -0.189 4.495 4.640 0.073 0.000 0.199 1353 D C 2.073 178.246 176.300 -0.212 0.000 0.984 1353 D CA 1.494 55.435 54.000 -0.098 0.000 0.834 1353 D CB -0.273 40.450 40.800 -0.129 0.000 0.955 1353 D HN 0.307 nan 8.370 nan 0.000 0.465 1354 Y N 1.269 121.484 120.300 -0.142 0.000 2.145 1354 Y HA -0.127 4.464 4.550 0.068 0.000 0.286 1354 Y C 2.424 178.050 175.900 -0.458 0.000 1.145 1354 Y CA 1.004 58.974 58.100 -0.215 0.000 1.148 1354 Y CB -0.361 37.994 38.460 -0.176 0.000 0.981 1354 Y HN -0.108 nan 8.280 nan 0.000 0.507 1355 K N 0.258 120.342 120.400 -0.527 0.000 2.032 1355 K HA -0.222 4.142 4.320 0.073 0.000 0.209 1355 K C 1.759 177.961 176.600 -0.663 0.000 1.048 1355 K CA 1.843 57.504 56.287 -1.043 0.000 0.927 1355 K CB -0.235 31.800 32.500 -0.775 0.000 0.712 1355 K HN 0.309 nan 8.250 nan 0.000 0.441 1356 N N 0.560 119.037 118.700 -0.372 0.000 2.309 1356 N HA -0.152 4.631 4.740 0.073 0.000 0.182 1356 N C 1.793 177.194 175.510 -0.183 0.000 1.018 1356 N CA 1.174 54.069 53.050 -0.258 0.000 0.876 1356 N CB -0.051 38.304 38.487 -0.220 0.000 0.972 1356 N HN 0.376 nan 8.380 nan 0.000 0.434 1357 M N 0.510 120.019 119.600 -0.152 0.000 2.175 1357 M HA -0.036 4.487 4.480 0.073 0.000 0.264 1357 M C 1.659 177.930 176.300 -0.049 0.000 1.063 1357 M CA 1.252 56.514 55.300 -0.063 0.000 1.119 1357 M CB 0.140 32.726 32.600 -0.023 0.000 1.377 1357 M HN -0.004 nan 8.290 nan 0.000 0.415 1358 I N -0.089 120.417 120.570 -0.106 0.000 2.480 1358 I HA -0.209 4.005 4.170 0.073 0.000 0.251 1358 I C 1.609 177.709 176.117 -0.030 0.000 1.124 1358 I CA 0.476 61.758 61.300 -0.031 0.000 1.444 1358 I CB -0.185 37.810 38.000 -0.009 0.000 1.098 1358 I HN 0.232 nan 8.210 nan 0.000 0.428 1359 L N 0.754 121.891 121.223 -0.144 0.000 2.551 1359 L HA 0.075 4.459 4.340 0.073 0.000 0.228 1359 L C 1.844 178.685 176.870 -0.048 0.000 1.153 1359 L CA 1.309 56.098 54.840 -0.085 0.000 0.851 1359 L CB -1.149 40.812 42.059 -0.164 0.000 0.959 1359 L HN 0.446 nan 8.230 nan 0.000 0.451 1360 G N -1.229 107.540 108.800 -0.051 0.000 2.212 1360 G HA2 -0.362 3.642 3.960 0.073 0.000 0.266 1360 G HA3 -0.362 3.642 3.960 0.073 0.000 0.266 1360 G C 0.981 175.854 174.900 -0.046 0.000 0.978 1360 G CA 0.734 45.815 45.100 -0.032 0.000 0.632 1360 G HN 0.410 nan 8.290 nan 0.000 0.537 1361 T N -1.266 113.243 114.554 -0.075 0.000 3.406 1361 T HA 0.570 4.964 4.350 0.073 0.000 0.244 1361 T C 0.662 175.293 174.700 -0.116 0.000 0.949 1361 T CA 0.749 62.796 62.100 -0.088 0.000 0.926 1361 T CB 0.677 69.486 68.868 -0.097 0.000 1.089 1361 T HN 0.591 nan 8.240 nan 0.000 0.604 1362 S N 0.716 116.364 115.700 -0.088 0.000 2.455 1362 S HA 0.516 5.029 4.470 0.073 0.000 0.278 1362 S C 1.881 176.434 174.600 -0.079 0.000 1.216 1362 S CA -0.031 58.117 58.200 -0.087 0.000 1.055 1362 S CB -0.369 62.824 63.200 -0.012 0.000 0.939 1362 S HN 0.631 nan 8.310 nan 0.000 0.494 1363 V N 4.893 124.686 119.914 -0.201 0.000 2.299 1363 V HA -0.287 3.877 4.120 0.073 0.000 0.244 1363 V C 1.059 177.157 176.094 0.007 0.000 1.002 1363 V CA 2.700 64.884 62.300 -0.193 0.000 1.067 1363 V CB -1.878 29.626 31.823 -0.532 0.000 0.712 1363 V HN 1.021 nan 8.190 nan 0.000 0.505 1364 N N -0.563 118.234 118.700 0.163 0.000 2.426 1364 N HA 0.709 5.492 4.740 0.073 0.000 0.257 1364 N C -0.049 175.572 175.510 0.186 0.000 1.002 1364 N CA 0.141 53.295 53.050 0.173 0.000 0.942 1364 N CB 0.509 39.134 38.487 0.231 0.000 1.112 1364 N HN 2.080 nan 8.380 nan 0.000 0.499 1365 I N 1.412 122.048 120.570 0.111 0.000 3.197 1365 I HA 0.216 4.429 4.170 0.073 0.000 0.293 1365 I C 0.367 176.566 176.117 0.135 0.000 1.227 1365 I CA 0.299 61.659 61.300 0.100 0.000 1.369 1365 I CB -1.927 36.100 38.000 0.046 0.000 1.441 1365 I HN 0.841 nan 8.210 nan 0.000 0.539 1366 Y N 5.454 125.780 120.300 0.043 0.000 2.335 1366 Y HA 0.452 5.044 4.550 0.071 0.000 0.331 1366 Y C 1.464 177.371 175.900 0.011 0.000 1.094 1366 Y CA 0.536 58.654 58.100 0.030 0.000 1.253 1366 Y CB 0.933 39.415 38.460 0.036 0.000 1.203 1366 Y HN 0.892 nan 8.280 nan 0.000 0.508 1367 E N 3.407 123.245 120.200 -0.603 0.000 2.082 1367 E HA -0.373 4.021 4.350 0.073 0.000 0.215 1367 E C 2.048 178.492 176.600 -0.260 0.000 1.048 1367 E CA 3.151 59.291 56.400 -0.432 0.000 0.869 1367 E CB -1.846 27.551 29.700 -0.504 0.000 0.773 1367 E HN 1.027 nan 8.360 nan 0.000 0.466 1368 H N -0.649 118.250 119.070 -0.285 0.000 2.290 1368 H HA 0.146 4.746 4.556 0.073 0.000 0.298 1368 H C 2.678 178.038 175.328 0.054 0.000 1.087 1368 H CA 3.841 59.874 56.048 -0.026 0.000 1.291 1368 H CB -1.188 28.640 29.762 0.109 0.000 1.369 1368 H HN 0.939 nan 8.280 nan 0.000 0.492 1369 I N -0.171 120.482 120.570 0.138 0.000 2.209 1369 I HA 0.350 4.564 4.170 0.073 0.000 0.220 1369 I C 3.242 179.398 176.117 0.065 0.000 1.056 1369 I CA 1.932 63.302 61.300 0.116 0.000 1.354 1369 I CB -1.723 36.368 38.000 0.153 0.000 1.145 1369 I HN 1.424 nan 8.210 nan 0.000 0.396 1370 G N -0.760 108.080 108.800 0.067 0.000 2.774 1370 G HA2 -0.358 3.646 3.960 0.073 0.000 0.342 1370 G HA3 -0.358 3.646 3.960 0.073 0.000 0.342 1370 G C 1.646 176.560 174.900 0.025 0.000 1.185 1370 G CA 2.902 48.022 45.100 0.035 0.000 0.956 1370 G HN 1.975 nan 8.290 nan 0.000 0.561 1371 K N -0.226 120.182 120.400 0.014 0.000 2.442 1371 K HA 0.277 4.641 4.320 0.073 0.000 0.199 1371 K C 2.619 179.228 176.600 0.015 0.000 1.044 1371 K CA 2.355 58.648 56.287 0.010 0.000 0.941 1371 K CB -0.414 32.088 32.500 0.004 0.000 0.759 1371 K HN 1.190 nan 8.250 nan 0.000 0.472 1372 L N 1.053 122.292 121.223 0.027 0.000 2.083 1372 L HA -0.182 4.202 4.340 0.073 0.000 0.209 1372 L C 2.534 179.421 176.870 0.029 0.000 1.083 1372 L CA 2.053 56.914 54.840 0.035 0.000 0.752 1372 L CB -0.274 41.818 42.059 0.054 0.000 0.899 1372 L HN 0.581 nan 8.230 nan 0.000 0.433 1373 Q N -0.686 119.130 119.800 0.026 0.000 2.167 1373 Q HA -0.185 4.199 4.340 0.073 0.000 0.202 1373 Q C 2.199 178.202 176.000 0.005 0.000 0.970 1373 Q CA 1.621 57.435 55.803 0.018 0.000 0.855 1373 Q CB -0.393 28.353 28.738 0.014 0.000 0.911 1373 Q HN 0.777 nan 8.270 nan 0.000 0.438 1374 E N 1.873 122.075 120.200 0.003 0.000 2.072 1374 E HA -0.207 4.186 4.350 0.073 0.000 0.191 1374 E C 1.501 178.093 176.600 -0.013 0.000 0.985 1374 E CA 1.556 57.953 56.400 -0.006 0.000 0.801 1374 E CB -0.557 29.140 29.700 -0.005 0.000 0.750 1374 E HN 0.332 nan 8.360 nan 0.000 0.452 1375 D N 0.141 120.535 120.400 -0.010 0.000 2.178 1375 D HA -0.067 4.617 4.640 0.073 0.000 0.202 1375 D C 1.966 178.244 176.300 -0.037 0.000 0.974 1375 D CA 0.691 54.680 54.000 -0.019 0.000 0.841 1375 D CB -0.038 40.757 40.800 -0.008 0.000 0.953 1375 D HN 0.380 nan 8.370 nan 0.000 0.478 1376 I N 1.525 122.077 120.570 -0.030 0.000 2.179 1376 I HA -0.248 3.965 4.170 0.073 0.000 0.242 1376 I C 2.775 178.832 176.117 -0.100 0.000 1.088 1376 I CA 1.285 62.550 61.300 -0.060 0.000 1.357 1376 I CB -1.275 36.722 38.000 -0.005 0.000 1.051 1376 I HN 0.035 nan 8.210 nan 0.000 0.409 1377 K N 1.390 121.756 120.400 -0.057 0.000 2.103 1377 K HA -0.217 4.147 4.320 0.073 0.000 0.207 1377 K C 2.446 179.002 176.600 -0.072 0.000 1.048 1377 K CA 2.212 58.465 56.287 -0.056 0.000 0.930 1377 K CB -1.378 31.105 32.500 -0.027 0.000 0.716 1377 K HN 0.523 nan 8.250 nan 0.000 0.444 1378 K N 0.936 121.297 120.400 -0.064 0.000 2.025 1378 K HA 0.138 4.502 4.320 0.073 0.000 0.207 1378 K C 2.293 178.840 176.600 -0.087 0.000 1.049 1378 K CA 1.379 57.629 56.287 -0.061 0.000 0.933 1378 K CB -0.659 31.814 32.500 -0.044 0.000 0.714 1378 K HN 0.508 nan 8.250 nan 0.000 0.438 1379 I N 0.648 121.150 120.570 -0.113 0.000 2.208 1379 I HA -0.236 3.978 4.170 0.073 0.000 0.245 1379 I C 2.296 178.283 176.117 -0.217 0.000 1.097 1379 I CA 1.013 62.224 61.300 -0.149 0.000 1.363 1379 I CB -0.294 37.606 38.000 -0.167 0.000 1.051 1379 I HN 0.210 nan 8.210 nan 0.000 0.413 1380 I N 0.567 120.967 120.570 -0.283 0.000 2.202 1380 I HA -0.244 3.970 4.170 0.073 0.000 0.242 1380 I C 2.530 178.541 176.117 -0.176 0.000 1.091 1380 I CA 1.467 62.560 61.300 -0.344 0.000 1.368 1380 I CB -1.367 36.413 38.000 -0.367 0.000 1.058 1380 I HN 0.355 nan 8.210 nan 0.000 0.410 1381 E N 1.473 121.604 120.200 -0.115 0.000 2.085 1381 E HA -0.261 4.133 4.350 0.073 0.000 0.194 1381 E C 2.292 178.859 176.600 -0.057 0.000 0.994 1381 E CA 2.242 58.603 56.400 -0.065 0.000 0.801 1381 E CB 0.144 29.816 29.700 -0.047 0.000 0.743 1381 E HN 0.499 nan 8.360 nan 0.000 0.453 1382 K N 0.017 120.377 120.400 -0.067 0.000 2.305 1382 K HA 0.067 4.431 4.320 0.073 0.000 0.199 1382 K C 1.866 178.435 176.600 -0.052 0.000 1.047 1382 K CA 0.983 57.239 56.287 -0.051 0.000 0.976 1382 K CB -0.513 31.958 32.500 -0.048 0.000 0.765 1382 K HN 0.277 nan 8.250 nan 0.000 0.474 1383 G N 0.890 109.642 108.800 -0.080 0.000 3.042 1383 G HA2 0.208 4.212 3.960 0.073 0.000 0.212 1383 G HA3 0.208 4.212 3.960 0.073 0.000 0.212 1383 G C 0.683 175.557 174.900 -0.043 0.000 1.166 1383 G CA 0.990 46.048 45.100 -0.070 0.000 0.767 1383 G HN 0.678 nan 8.290 nan 0.000 0.546 1384 T N -1.876 112.656 114.554 -0.038 0.000 2.906 1384 T HA 0.634 5.027 4.350 0.073 0.000 0.295 1384 T C -3.261 171.443 174.700 0.007 0.000 1.075 1384 T CA -1.855 60.245 62.100 0.001 0.000 1.005 1384 T CB 2.287 71.164 68.868 0.016 0.000 1.136 1384 T HN -0.178 nan 8.240 nan 0.000 0.498 1385 P HA 0.422 nan 4.420 nan 0.000 0.268 1385 P C -0.283 177.027 177.300 0.016 0.000 1.204 1385 P CA 0.066 63.177 63.100 0.018 0.000 0.768 1385 P CB -0.044 31.671 31.700 0.024 0.000 0.842 1386 Q N 1.450 121.256 119.800 0.010 0.000 2.297 1386 Q HA 0.496 4.880 4.340 0.073 0.000 0.267 1386 Q C 0.633 176.640 176.000 0.013 0.000 1.006 1386 Q CA -0.105 55.703 55.803 0.009 0.000 0.896 1386 Q CB -0.728 28.013 28.738 0.004 0.000 1.186 1386 Q HN 0.697 nan 8.270 nan 0.000 0.392 1398 T N 0.574 115.139 114.554 0.019 0.000 2.951 1398 T HA 0.384 4.778 4.350 0.073 0.000 0.268 1398 T C 1.885 176.613 174.700 0.046 0.000 1.073 1398 T CA 2.629 64.745 62.100 0.026 0.000 1.134 1398 T CB -0.746 68.130 68.868 0.014 0.000 0.884 1398 T HN 0.883 nan 8.240 nan 0.000 0.479 1399 E N 1.760 121.986 120.200 0.043 0.000 2.106 1399 E HA -0.117 4.277 4.350 0.073 0.000 0.192 1399 E C 2.180 178.829 176.600 0.082 0.000 0.984 1399 E CA 1.301 57.734 56.400 0.056 0.000 0.806 1399 E CB -0.812 28.913 29.700 0.041 0.000 0.750 1399 E HN 0.704 nan 8.360 nan 0.000 0.458 1400 N N 0.309 119.054 118.700 0.076 0.000 2.188 1400 N HA -0.116 4.668 4.740 0.073 0.000 0.184 1400 N C 2.010 177.616 175.510 0.161 0.000 1.018 1400 N CA 1.657 54.766 53.050 0.097 0.000 0.858 1400 N CB 0.009 38.529 38.487 0.056 0.000 0.989 1400 N HN 0.325 nan 8.380 nan 0.000 0.426 1401 V N 1.889 121.889 119.914 0.145 0.000 2.427 1401 V HA -0.160 4.004 4.120 0.073 0.000 0.248 1401 V C 1.928 178.215 176.094 0.323 0.000 1.051 1401 V CA 1.229 63.666 62.300 0.228 0.000 1.048 1401 V CB -0.574 31.333 31.823 0.141 0.000 0.666 1401 V HN 0.306 nan 8.190 nan 0.000 0.456 1402 N N 1.031 119.859 118.700 0.215 0.000 2.084 1402 N HA -0.111 4.673 4.740 0.073 0.000 0.190 1402 N C 1.933 177.589 175.510 0.243 0.000 1.030 1402 N CA 1.765 54.941 53.050 0.211 0.000 0.849 1402 N CB -0.634 37.928 38.487 0.126 0.000 1.012 1402 N HN 0.479 nan 8.380 nan 0.000 0.423 1403 A N 0.107 123.049 122.820 0.202 0.000 1.902 1403 A HA -0.153 4.211 4.320 0.073 0.000 0.217 1403 A C 2.170 179.878 177.584 0.206 0.000 1.181 1403 A CA 1.288 53.426 52.037 0.169 0.000 0.623 1403 A CB -1.126 17.956 19.000 0.137 0.000 0.818 1403 A HN 0.516 nan 8.150 nan 0.000 0.443 1404 W N -0.295 121.063 121.300 0.098 0.000 2.355 1404 W HA -0.190 4.486 4.660 0.027 0.000 0.309 1404 W C 2.221 178.804 176.519 0.106 0.000 1.206 1404 W CA 1.768 59.167 57.345 0.089 0.000 1.284 1404 W CB -0.501 29.017 29.460 0.098 0.000 1.145 1404 W HN 0.527 nan 8.180 nan 0.000 0.502 1405 W N 1.848 123.140 121.300 -0.012 0.000 2.355 1405 W HA -0.237 4.450 4.660 0.045 0.000 0.309 1405 W C 1.828 178.242 176.519 -0.176 0.000 1.206 1405 W CA 2.207 59.424 57.345 -0.212 0.000 1.284 1405 W CB -0.519 28.932 29.460 -0.015 0.000 1.145 1405 W HN -0.067 nan 8.180 nan 0.000 0.502 1406 K N -0.276 120.110 120.400 -0.022 0.000 2.152 1406 K HA -0.143 4.221 4.320 0.073 0.000 0.206 1406 K C 2.237 178.710 176.600 -0.212 0.000 1.048 1406 K CA 1.530 57.767 56.287 -0.084 0.000 0.933 1406 K CB -0.851 31.676 32.500 0.045 0.000 0.721 1406 K HN 0.227 nan 8.250 nan 0.000 0.447 1407 G N 1.476 110.143 108.800 -0.223 0.000 2.484 1407 G HA2 -0.128 3.876 3.960 0.073 0.000 0.218 1407 G HA3 -0.128 3.876 3.960 0.073 0.000 0.218 1407 G C 1.396 176.087 174.900 -0.349 0.000 1.130 1407 G CA 0.567 45.531 45.100 -0.226 0.000 0.784 1407 G HN 0.458 nan 8.290 nan 0.000 0.543 1408 I N -3.332 116.884 120.570 -0.589 0.000 4.154 1408 I HA 0.432 4.646 4.170 0.073 0.000 0.334 1408 I C 1.686 177.402 176.117 -0.668 0.000 1.371 1408 I CA 0.135 61.063 61.300 -0.620 0.000 1.110 1408 I CB 0.439 37.941 38.000 -0.831 0.000 1.085 1408 I HN 0.072 nan 8.210 nan 0.000 0.398 1409 E N 2.061 121.790 120.200 -0.784 0.000 2.097 1409 E HA -0.234 4.160 4.350 0.073 0.000 0.196 1409 E C 1.984 178.489 176.600 -0.158 0.000 1.000 1409 E CA 1.493 57.508 56.400 -0.642 0.000 0.804 1409 E CB 0.111 29.536 29.700 -0.459 0.000 0.740 1409 E HN 0.401 nan 8.360 nan 0.000 0.454 1410 R N 0.454 120.875 120.500 -0.131 0.000 2.091 1410 R HA -0.163 4.221 4.340 0.073 0.000 0.238 1410 R C 2.261 178.574 176.300 0.021 0.000 1.136 1410 R CA 1.515 57.606 56.100 -0.014 0.000 0.959 1410 R CB -0.655 29.623 30.300 -0.037 0.000 0.856 1410 R HN 0.436 nan 8.270 nan 0.000 0.437 1411 E N 0.056 120.217 120.200 -0.065 0.000 2.072 1411 E HA -0.128 4.266 4.350 0.073 0.000 0.191 1411 E C 1.838 178.436 176.600 -0.003 0.000 0.985 1411 E CA 0.869 57.239 56.400 -0.049 0.000 0.801 1411 E CB 0.141 29.780 29.700 -0.101 0.000 0.750 1411 E HN 0.060 nan 8.360 nan 0.000 0.452 1412 M N -0.083 119.512 119.600 -0.008 0.000 2.175 1412 M HA -0.170 4.354 4.480 0.073 0.000 0.264 1412 M C 2.151 178.672 176.300 0.368 0.000 1.063 1412 M CA 1.151 56.538 55.300 0.145 0.000 1.119 1412 M CB -1.347 31.300 32.600 0.080 0.000 1.377 1412 M HN 0.438 nan 8.290 nan 0.000 0.415 1413 W N 1.854 123.222 121.300 0.114 0.000 2.402 1413 W HA -0.203 4.501 4.660 0.072 0.000 0.286 1413 W C 0.896 177.369 176.519 -0.076 0.000 1.221 1413 W CA 1.117 58.376 57.345 -0.145 0.000 1.257 1413 W CB -0.123 29.135 29.460 -0.337 0.000 1.120 1413 W HN 0.248 nan 8.180 nan 0.000 0.551 1414 D N 0.579 120.963 120.400 -0.028 0.000 2.263 1414 D HA -0.120 4.564 4.640 0.073 0.000 0.208 1414 D C 2.282 178.509 176.300 -0.122 0.000 0.971 1414 D CA 1.453 55.392 54.000 -0.102 0.000 0.867 1414 D CB -0.511 40.279 40.800 -0.016 0.000 0.929 1414 D HN 0.161 nan 8.370 nan 0.000 0.492 1415 A N 0.275 123.056 122.820 -0.064 0.000 1.930 1415 A HA -0.113 4.251 4.320 0.073 0.000 0.217 1415 A C 2.465 179.959 177.584 -0.149 0.000 1.175 1415 A CA 0.927 52.965 52.037 0.001 0.000 0.627 1415 A CB -0.533 18.510 19.000 0.071 0.000 0.815 1415 A HN 0.147 nan 8.150 nan 0.000 0.443 1416 V N 0.023 119.742 119.914 -0.326 0.000 2.307 1416 V HA -0.260 3.904 4.120 0.073 0.000 0.245 1416 V C 2.632 178.432 176.094 -0.491 0.000 1.045 1416 V CA 2.245 64.241 62.300 -0.506 0.000 1.024 1416 V CB -0.812 30.398 31.823 -1.022 0.000 0.651 1416 V HN 0.542 nan 8.190 nan 0.000 0.449 1417 R N -0.665 119.504 120.500 -0.552 0.000 2.091 1417 R HA -0.209 4.175 4.340 0.073 0.000 0.238 1417 R C 2.429 178.617 176.300 -0.187 0.000 1.136 1417 R CA 1.774 57.671 56.100 -0.338 0.000 0.959 1417 R CB -1.055 29.084 30.300 -0.269 0.000 0.856 1417 R HN 0.599 nan 8.270 nan 0.000 0.437 1418 C N 0.625 119.838 119.300 -0.146 0.000 2.429 1418 C HA -0.036 4.468 4.460 0.073 0.000 0.277 1418 C C 2.922 177.857 174.990 -0.091 0.000 1.262 1418 C CA 1.006 59.996 59.018 -0.046 0.000 1.733 1418 C CB -0.993 26.785 27.740 0.062 0.000 2.010 1418 C HN 0.578 nan 8.230 nan 0.000 0.483 1419 A N 0.357 122.982 122.820 -0.325 0.000 1.933 1419 A HA -0.068 4.296 4.320 0.073 0.000 0.218 1419 A C 2.124 179.555 177.584 -0.254 0.000 1.175 1419 A CA 1.934 53.647 52.037 -0.539 0.000 0.628 1419 A CB -0.723 17.809 19.000 -0.780 0.000 0.814 1419 A HN 0.688 nan 8.150 nan 0.000 0.444 1420 I N 0.326 120.780 120.570 -0.193 0.000 2.286 1420 I HA -0.237 3.977 4.170 0.073 0.000 0.248 1420 I C 2.811 178.876 176.117 -0.086 0.000 1.115 1420 I CA 1.857 63.063 61.300 -0.158 0.000 1.392 1420 I CB -0.527 37.406 38.000 -0.112 0.000 1.065 1420 I HN 0.572 nan 8.210 nan 0.000 0.418 1421 T N -1.864 112.667 114.554 -0.038 0.000 2.904 1421 T HA -0.065 4.329 4.350 0.073 0.000 0.267 1421 T C 1.812 176.517 174.700 0.009 0.000 1.059 1421 T CA 0.513 62.627 62.100 0.024 0.000 1.137 1421 T CB -0.122 68.757 68.868 0.017 0.000 0.879 1421 T HN 0.075 nan 8.240 nan 0.000 0.467 1422 K N 1.088 121.477 120.400 -0.017 0.000 2.362 1422 K HA 0.156 4.519 4.320 0.073 0.000 0.200 1422 K C 1.933 178.508 176.600 -0.041 0.000 1.046 1422 K CA 0.315 56.601 56.287 -0.001 0.000 0.952 1422 K CB -0.400 32.134 32.500 0.056 0.000 0.753 1422 K HN 0.413 nan 8.250 nan 0.000 0.466 1423 I N 1.444 121.953 120.570 -0.102 0.000 2.830 1423 I HA -0.156 4.058 4.170 0.073 0.000 0.263 1423 I C 1.400 177.487 176.117 -0.049 0.000 1.230 1423 I CA 0.584 61.774 61.300 -0.184 0.000 1.480 1423 I CB -2.060 35.648 38.000 -0.487 0.000 1.095 1423 I HN 0.146 nan 8.210 nan 0.000 0.455 1424 N N 1.783 120.487 118.700 0.006 0.000 3.105 1424 N HA 0.249 5.033 4.740 0.073 0.000 0.309 1424 N C 1.153 176.644 175.510 -0.032 0.000 1.291 1424 N CA 0.980 54.017 53.050 -0.022 0.000 1.153 1424 N CB -0.951 37.524 38.487 -0.020 0.000 1.447 1424 N HN 0.576 nan 8.380 nan 0.000 0.555 1425 K N -1.370 119.013 120.400 -0.028 0.000 2.558 1425 K HA 0.534 4.898 4.320 0.073 0.000 0.215 1425 K C 1.707 178.300 176.600 -0.012 0.000 1.298 1425 K CA 0.934 57.210 56.287 -0.018 0.000 1.008 1425 K CB -0.646 31.849 32.500 -0.009 0.000 1.073 1425 K HN 0.782 nan 8.250 nan 0.000 0.606 1426 K N 0.292 120.684 120.400 -0.013 0.000 2.878 1426 K HA 0.511 4.875 4.320 0.073 0.000 0.204 1426 K C 1.260 177.860 176.600 -0.001 0.000 1.093 1426 K CA 0.928 57.222 56.287 0.011 0.000 1.250 1426 K CB -1.151 31.377 32.500 0.047 0.000 1.692 1426 K HN 0.895 nan 8.250 nan 0.000 0.470 1427 N N -0.682 118.016 118.700 -0.002 0.000 2.472 1427 N HA 0.432 5.216 4.740 0.073 0.000 0.289 1427 N C 0.343 175.792 175.510 -0.103 0.000 1.156 1427 N CA 0.205 53.237 53.050 -0.030 0.000 0.940 1427 N CB 0.823 39.313 38.487 0.006 0.000 1.200 1427 N HN 0.982 nan 8.380 nan 0.000 0.511 1428 N N -1.297 117.348 118.700 -0.092 0.000 2.321 1428 N HA 0.219 5.003 4.740 0.073 0.000 0.242 1428 N C 1.267 176.706 175.510 -0.117 0.000 1.141 1428 N CA 0.678 53.657 53.050 -0.118 0.000 0.864 1428 N CB -1.034 37.406 38.487 -0.078 0.000 1.100 1428 N HN 0.978 nan 8.380 nan 0.000 0.510 1429 N N -0.623 118.008 118.700 -0.116 0.000 2.457 1429 N HA 0.453 5.237 4.740 0.073 0.000 0.180 1429 N C 0.862 176.300 175.510 -0.120 0.000 1.050 1429 N CA 1.255 54.255 53.050 -0.082 0.000 0.906 1429 N CB -0.042 38.425 38.487 -0.033 0.000 0.968 1429 N HN 1.020 nan 8.380 nan 0.000 0.445 1430 S N -2.006 113.539 115.700 -0.258 0.000 2.543 1430 S HA 0.689 5.203 4.470 0.073 0.000 0.274 1430 S C -0.635 173.609 174.600 -0.593 0.000 1.149 1430 S CA 0.122 58.117 58.200 -0.342 0.000 0.866 1430 S CB 0.143 63.182 63.200 -0.268 0.000 1.111 1430 S HN 1.400 nan 8.310 nan 0.000 0.457 1431 I N 2.483 122.825 120.570 -0.380 0.000 2.347 1431 I HA 0.759 4.973 4.170 0.073 0.000 0.283 1431 I C -0.308 175.697 176.117 -0.186 0.000 1.058 1431 I CA -0.897 60.217 61.300 -0.311 0.000 1.202 1431 I CB -0.961 36.955 38.000 -0.140 0.000 1.386 1431 I HN 0.553 nan 8.210 nan 0.000 0.475 1432 F N 5.031 124.971 119.950 -0.016 0.000 2.541 1432 F HA 0.169 4.741 4.527 0.074 0.000 0.378 1432 F C 1.606 177.396 175.800 -0.016 0.000 1.068 1432 F CA -0.352 57.640 58.000 -0.014 0.000 1.199 1432 F CB 0.717 39.693 39.000 -0.039 0.000 1.091 1432 F HN 0.791 nan 8.300 nan 0.000 0.555 1433 N N 2.140 120.954 118.700 0.189 0.000 2.353 1433 N HA 0.102 4.886 4.740 0.073 0.000 0.185 1433 N C 1.327 176.881 175.510 0.073 0.000 1.098 1433 N CA 0.703 53.812 53.050 0.099 0.000 0.872 1433 N CB 0.602 39.134 38.487 0.075 0.000 0.970 1433 N HN 0.833 nan 8.380 nan 0.000 0.467 1434 G N 0.263 109.110 108.800 0.078 0.000 2.217 1434 G HA2 -0.241 3.763 3.960 0.073 0.000 0.246 1434 G HA3 -0.241 3.763 3.960 0.073 0.000 0.246 1434 G C 0.285 175.183 174.900 -0.003 0.000 0.990 1434 G CA 0.357 45.459 45.100 0.005 0.000 0.627 1434 G HN 0.430 nan 8.290 nan 0.000 0.522 1435 D N 0.523 120.953 120.400 0.051 0.000 2.349 1435 D HA 0.243 4.927 4.640 0.073 0.000 0.214 1435 D C 1.873 178.232 176.300 0.098 0.000 1.063 1435 D CA 0.398 54.448 54.000 0.083 0.000 0.847 1435 D CB 0.141 40.992 40.800 0.086 0.000 0.933 1435 D HN 0.449 nan 8.370 nan 0.000 0.513 1436 E N -0.112 120.137 120.200 0.082 0.000 2.130 1436 E HA -0.143 4.251 4.350 0.073 0.000 0.196 1436 E C 1.344 177.997 176.600 0.089 0.000 0.998 1436 E CA 0.914 57.365 56.400 0.086 0.000 0.806 1436 E CB -0.186 29.551 29.700 0.062 0.000 0.738 1436 E HN 0.239 nan 8.360 nan 0.000 0.459 1437 c N -0.001 118.656 118.600 0.096 0.000 2.693 1437 c HA 0.619 5.233 4.570 0.073 0.000 0.286 1437 c C 0.829 175.084 174.090 0.275 0.000 1.277 1437 c CA 0.074 56.482 56.329 0.133 0.000 1.705 1437 c CB -1.228 41.306 42.510 0.040 0.000 1.879 1437 c HN 0.460 nan 8.230 nan 0.000 0.607 1438 G N 0.415 109.363 108.800 0.246 0.000 2.841 1438 G HA2 0.045 4.048 3.960 0.073 0.000 0.684 1438 G HA3 0.045 4.048 3.960 0.073 0.000 0.684 1438 G C 0.074 175.172 174.900 0.330 0.000 1.273 1438 G CA -0.154 45.076 45.100 0.218 0.000 0.811 1438 G HN 0.650 nan 8.290 nan 0.000 0.631 1439 V N -1.543 118.475 119.914 0.174 0.000 3.041 1439 V HA 0.419 4.583 4.120 0.073 0.000 0.260 1439 V C 1.120 177.310 176.094 0.160 0.000 1.105 1439 V CA 1.950 64.366 62.300 0.194 0.000 1.125 1439 V CB -0.137 31.739 31.823 0.089 0.000 0.730 1439 V HN 1.100 nan 8.190 nan 0.000 0.479 1440 S N 0.961 116.583 115.700 -0.130 0.000 2.570 1440 S HA 0.628 5.142 4.470 0.073 0.000 0.286 1440 S C -2.808 171.044 174.600 -1.247 0.000 1.099 1440 S CA -0.908 56.982 58.200 -0.516 0.000 0.913 1440 S CB 2.292 65.323 63.200 -0.282 0.000 1.085 1440 S HN 0.321 nan 8.310 nan 0.000 0.480 1441 P HA 0.257 nan 4.420 nan 0.000 0.271 1441 P C -2.774 174.048 177.300 -0.796 0.000 1.233 1441 P CA -1.169 60.879 63.100 -1.755 0.000 0.789 1441 P CB -1.056 30.048 31.700 -0.993 0.000 0.951 1442 P HA 0.176 nan 4.420 nan 0.000 0.267 1442 P C 0.001 177.247 177.300 -0.090 0.000 1.200 1442 P CA 0.583 63.561 63.100 -0.203 0.000 0.772 1442 P CB 0.292 31.962 31.700 -0.050 0.000 0.855 1443 T N -0.118 114.397 114.554 -0.065 0.000 2.671 1443 T HA 0.625 5.019 4.350 0.073 0.000 0.300 1443 T C 0.097 174.788 174.700 -0.014 0.000 1.238 1443 T CA 0.416 62.501 62.100 -0.025 0.000 1.020 1443 T CB 0.751 69.595 68.868 -0.040 0.000 1.503 1443 T HN 0.663 nan 8.240 nan 0.000 0.497 1444 G N 2.347 111.147 108.800 0.000 0.000 2.509 1444 G HA2 -0.272 3.732 3.960 0.073 0.000 0.256 1444 G HA3 -0.272 3.732 3.960 0.073 0.000 0.256 1444 G C 0.605 175.516 174.900 0.019 0.000 1.152 1444 G CA 1.051 46.155 45.100 0.006 0.000 0.951 1444 G HN 1.370 nan 8.290 nan 0.000 0.559 1445 N N 1.314 120.016 118.700 0.004 0.000 2.409 1445 N HA 0.152 4.936 4.740 0.073 0.000 0.179 1445 N C 1.627 177.140 175.510 0.005 0.000 1.032 1445 N CA 2.688 55.738 53.050 0.001 0.000 0.898 1445 N CB -1.400 37.040 38.487 -0.079 0.000 0.971 1445 N HN 1.200 nan 8.380 nan 0.000 0.441 1446 D N -0.080 120.320 120.400 0.001 0.000 2.263 1446 D HA -0.082 4.602 4.640 0.073 0.000 0.208 1446 D C 2.006 178.321 176.300 0.026 0.000 0.971 1446 D CA 1.815 55.825 54.000 0.017 0.000 0.867 1446 D CB -0.878 39.930 40.800 0.013 0.000 0.929 1446 D HN 0.679 nan 8.370 nan 0.000 0.492 1447 E N 0.506 120.720 120.200 0.023 0.000 2.072 1447 E HA -0.049 4.345 4.350 0.073 0.000 0.191 1447 E C 1.295 177.886 176.600 -0.015 0.000 0.985 1447 E CA 0.960 57.371 56.400 0.019 0.000 0.801 1447 E CB -0.611 29.105 29.700 0.028 0.000 0.750 1447 E HN 0.588 nan 8.360 nan 0.000 0.452 1448 D N 0.017 120.421 120.400 0.007 0.000 2.349 1448 D HA 0.002 4.686 4.640 0.073 0.000 0.266 1448 D C 0.980 177.231 176.300 -0.082 0.000 1.293 1448 D CA 0.145 54.141 54.000 -0.008 0.000 0.926 1448 D CB 0.851 41.718 40.800 0.111 0.000 1.090 1448 D HN 0.406 nan 8.370 nan 0.000 0.502 1449 Q N 2.667 122.334 119.800 -0.221 0.000 2.197 1449 Q HA -0.225 4.159 4.340 0.073 0.000 0.207 1449 Q C 1.633 177.307 176.000 -0.544 0.000 0.984 1449 Q CA 1.444 56.966 55.803 -0.469 0.000 0.869 1449 Q CB 0.039 28.348 28.738 -0.714 0.000 0.906 1449 Q HN 0.535 nan 8.270 nan 0.000 0.426 1450 S N -1.044 114.474 115.700 -0.304 0.000 2.359 1450 S HA -0.133 4.381 4.470 0.073 0.000 0.224 1450 S C 1.826 176.496 174.600 0.116 0.000 1.035 1450 S CA 1.450 59.591 58.200 -0.098 0.000 1.018 1450 S CB -0.202 63.002 63.200 0.005 0.000 0.876 1450 S HN 0.345 nan 8.310 nan 0.000 0.448 1451 V N 1.039 121.031 119.914 0.130 0.000 2.358 1451 V HA -0.072 4.091 4.120 0.073 0.000 0.246 1451 V C 2.736 178.925 176.094 0.159 0.000 1.047 1451 V CA 1.950 64.344 62.300 0.157 0.000 1.035 1451 V CB -1.115 30.747 31.823 0.066 0.000 0.658 1451 V HN 0.616 nan 8.190 nan 0.000 0.452 1452 S N -1.123 114.651 115.700 0.123 0.000 2.370 1452 S HA -0.225 4.288 4.470 0.073 0.000 0.226 1452 S C 1.721 176.572 174.600 0.419 0.000 1.033 1452 S CA 1.876 60.197 58.200 0.202 0.000 1.011 1452 S CB -0.367 62.918 63.200 0.141 0.000 0.852 1452 S HN 0.664 nan 8.310 nan 0.000 0.457 1453 W N 0.983 122.413 121.300 0.217 0.000 2.381 1453 W HA 0.086 4.794 4.660 0.080 0.000 0.301 1453 W C 2.255 179.054 176.519 0.468 0.000 1.205 1453 W CA -0.174 57.370 57.345 0.331 0.000 1.285 1453 W CB -1.581 28.044 29.460 0.274 0.000 1.133 1453 W HN 0.399 nan 8.180 nan 0.000 0.521 1454 F N 1.221 121.389 119.950 0.364 0.000 2.146 1454 F HA -0.242 4.327 4.527 0.071 0.000 0.298 1454 F C 2.173 178.115 175.800 0.236 0.000 1.096 1454 F CA 1.387 59.489 58.000 0.170 0.000 1.275 1454 F CB -0.019 38.960 39.000 -0.035 0.000 1.008 1454 F HN -0.196 nan 8.300 nan 0.000 0.480 1455 K N 0.334 120.894 120.400 0.266 0.000 2.057 1455 K HA -0.267 4.097 4.320 0.073 0.000 0.207 1455 K C 1.918 178.687 176.600 0.282 0.000 1.049 1455 K CA 1.855 58.277 56.287 0.226 0.000 0.931 1455 K CB -0.284 32.358 32.500 0.236 0.000 0.714 1455 K HN 0.384 nan 8.250 nan 0.000 0.440 1456 E N -0.026 120.394 120.200 0.366 0.000 2.072 1456 E HA -0.227 4.167 4.350 0.073 0.000 0.191 1456 E C 1.821 178.679 176.600 0.429 0.000 0.985 1456 E CA 1.139 57.756 56.400 0.363 0.000 0.801 1456 E CB -0.146 29.842 29.700 0.480 0.000 0.750 1456 E HN 0.419 nan 8.360 nan 0.000 0.452 1457 W N 0.906 122.359 121.300 0.254 0.000 2.338 1457 W HA -0.096 4.607 4.660 0.073 0.000 0.304 1457 W C 2.045 178.599 176.519 0.058 0.000 1.212 1457 W CA 2.234 59.452 57.345 -0.210 0.000 1.264 1457 W CB -0.616 28.471 29.460 -0.622 0.000 1.142 1457 W HN 0.147 nan 8.180 nan 0.000 0.512 1458 G N -0.240 108.792 108.800 0.388 0.000 2.402 1458 G HA2 -0.324 3.680 3.960 0.073 0.000 0.216 1458 G HA3 -0.324 3.680 3.960 0.073 0.000 0.216 1458 G C 1.363 176.317 174.900 0.091 0.000 1.162 1458 G CA 1.103 46.370 45.100 0.278 0.000 0.777 1458 G HN 0.451 nan 8.290 nan 0.000 0.539 1459 E N -0.047 120.041 120.200 -0.187 0.000 2.051 1459 E HA -0.225 4.169 4.350 0.073 0.000 0.192 1459 E C 2.377 178.914 176.600 -0.105 0.000 0.991 1459 E CA 1.340 57.492 56.400 -0.413 0.000 0.799 1459 E CB -0.236 28.919 29.700 -0.909 0.000 0.748 1459 E HN 0.604 nan 8.360 nan 0.000 0.449 1460 Q N -0.320 119.467 119.800 -0.022 0.000 2.050 1460 Q HA -0.213 4.171 4.340 0.073 0.000 0.202 1460 Q C 2.122 178.129 176.000 0.012 0.000 0.980 1460 Q CA 1.697 57.531 55.803 0.052 0.000 0.840 1460 Q CB -0.310 28.542 28.738 0.190 0.000 0.898 1460 Q HN 0.382 nan 8.270 nan 0.000 0.424 1461 F N 0.874 120.672 119.950 -0.253 0.000 2.069 1461 F HA -0.276 4.295 4.527 0.073 0.000 0.298 1461 F C 2.207 178.041 175.800 0.057 0.000 1.113 1461 F CA 1.740 59.620 58.000 -0.200 0.000 1.214 1461 F CB -0.749 37.831 39.000 -0.699 0.000 0.978 1461 F HN 0.216 nan 8.300 nan 0.000 0.474 1462 c N 0.707 119.270 118.600 -0.062 0.000 2.425 1462 c HA -0.131 4.483 4.570 0.073 0.000 0.277 1462 c C 2.857 176.878 174.090 -0.115 0.000 1.280 1462 c CA 1.015 57.284 56.329 -0.100 0.000 1.744 1462 c CB -1.387 41.210 42.510 0.144 0.000 1.989 1462 c HN 0.550 nan 8.230 nan 0.000 0.491 1463 I N 0.788 121.318 120.570 -0.066 0.000 2.252 1463 I HA -0.188 4.026 4.170 0.073 0.000 0.245 1463 I C 2.572 178.624 176.117 -0.109 0.000 1.102 1463 I CA 1.558 62.822 61.300 -0.059 0.000 1.385 1463 I CB -0.539 37.446 38.000 -0.025 0.000 1.064 1463 I HN 0.445 nan 8.210 nan 0.000 0.414 1464 E N 0.413 120.537 120.200 -0.126 0.000 2.106 1464 E HA -0.254 4.140 4.350 0.073 0.000 0.192 1464 E C 2.227 178.747 176.600 -0.134 0.000 0.984 1464 E CA 0.782 57.064 56.400 -0.197 0.000 0.806 1464 E CB -0.152 29.437 29.700 -0.184 0.000 0.750 1464 E HN 0.369 nan 8.360 nan 0.000 0.458 1465 R N 1.151 121.574 120.500 -0.128 0.000 2.091 1465 R HA -0.142 4.242 4.340 0.073 0.000 0.238 1465 R C 2.246 178.582 176.300 0.061 0.000 1.136 1465 R CA 1.091 57.207 56.100 0.026 0.000 0.959 1465 R CB -0.175 29.971 30.300 -0.257 0.000 0.856 1465 R HN 0.156 nan 8.270 nan 0.000 0.437 1466 L N -0.086 121.112 121.223 -0.042 0.000 2.201 1466 L HA -0.074 4.309 4.340 0.073 0.000 0.212 1466 L C 2.797 179.598 176.870 -0.115 0.000 1.105 1466 L CA 1.081 55.885 54.840 -0.059 0.000 0.775 1466 L CB -0.367 41.656 42.059 -0.059 0.000 0.913 1466 L HN 0.254 nan 8.230 nan 0.000 0.440 1467 R N -0.795 119.609 120.500 -0.159 0.000 2.090 1467 R HA -0.159 4.225 4.340 0.073 0.000 0.228 1467 R C 2.306 178.446 176.300 -0.268 0.000 1.110 1467 R CA 1.338 57.292 56.100 -0.242 0.000 0.973 1467 R CB -0.138 29.963 30.300 -0.331 0.000 0.869 1467 R HN 0.190 nan 8.270 nan 0.000 0.440 1468 Y N 0.508 120.706 120.300 -0.169 0.000 2.242 1468 Y HA -0.146 4.447 4.550 0.073 0.000 0.291 1468 Y C 2.302 178.031 175.900 -0.286 0.000 1.137 1468 Y CA 1.645 59.651 58.100 -0.158 0.000 1.181 1468 Y CB -0.212 38.227 38.460 -0.035 0.000 0.989 1468 Y HN 0.227 nan 8.280 nan 0.000 0.527 1469 E N -0.008 120.050 120.200 -0.235 0.000 2.051 1469 E HA -0.312 4.082 4.350 0.073 0.000 0.192 1469 E C 2.143 178.521 176.600 -0.370 0.000 0.991 1469 E CA 1.304 57.355 56.400 -0.582 0.000 0.799 1469 E CB -0.015 29.303 29.700 -0.638 0.000 0.748 1469 E HN 0.363 nan 8.360 nan 0.000 0.449 1470 Q N 0.776 120.430 119.800 -0.244 0.000 2.061 1470 Q HA -0.172 4.212 4.340 0.073 0.000 0.204 1470 Q C 1.804 177.703 176.000 -0.168 0.000 0.984 1470 Q CA 2.096 57.786 55.803 -0.188 0.000 0.846 1470 Q CB -0.121 28.525 28.738 -0.154 0.000 0.902 1470 Q HN 0.246 nan 8.270 nan 0.000 0.421 1471 N N -0.271 118.334 118.700 -0.158 0.000 2.120 1471 N HA -0.111 4.673 4.740 0.073 0.000 0.188 1471 N C 1.643 177.083 175.510 -0.117 0.000 1.024 1471 N CA 1.339 54.316 53.050 -0.121 0.000 0.852 1471 N CB -0.212 38.215 38.487 -0.099 0.000 1.003 1471 N HN 0.339 nan 8.380 nan 0.000 0.424 1472 I N 0.821 121.299 120.570 -0.154 0.000 2.202 1472 I HA -0.218 3.996 4.170 0.073 0.000 0.242 1472 I C 2.261 178.275 176.117 -0.173 0.000 1.091 1472 I CA 0.960 62.157 61.300 -0.172 0.000 1.368 1472 I CB -0.125 37.720 38.000 -0.258 0.000 1.058 1472 I HN 0.090 nan 8.210 nan 0.000 0.410 1473 R N 0.450 120.829 120.500 -0.201 0.000 2.091 1473 R HA -0.228 4.156 4.340 0.073 0.000 0.238 1473 R C 2.219 178.448 176.300 -0.118 0.000 1.136 1473 R CA 1.640 57.642 56.100 -0.164 0.000 0.959 1473 R CB -0.371 29.826 30.300 -0.172 0.000 0.856 1473 R HN 0.427 nan 8.270 nan 0.000 0.437 1474 E N 0.297 120.431 120.200 -0.111 0.000 2.204 1474 E HA -0.143 4.251 4.350 0.073 0.000 0.194 1474 E C 1.589 178.144 176.600 -0.075 0.000 0.989 1474 E CA 1.056 57.404 56.400 -0.087 0.000 0.824 1474 E CB 0.091 29.741 29.700 -0.084 0.000 0.756 1474 E HN 0.382 nan 8.360 nan 0.000 0.477 1475 A N -0.421 122.350 122.820 -0.080 0.000 2.095 1475 A HA 0.013 4.377 4.320 0.073 0.000 0.212 1475 A C 1.759 179.302 177.584 -0.068 0.000 1.162 1475 A CA 0.438 52.434 52.037 -0.067 0.000 0.753 1475 A CB 0.151 19.113 19.000 -0.064 0.000 0.840 1475 A HN 0.438 nan 8.150 nan 0.000 0.468 1476 c N -1.038 117.513 118.600 -0.081 0.000 2.760 1476 c HA 0.696 5.310 4.570 0.073 0.000 0.293 1476 c C 1.519 175.570 174.090 -0.066 0.000 1.383 1476 c CA 0.520 56.804 56.329 -0.075 0.000 1.771 1476 c CB -0.690 41.766 42.510 -0.091 0.000 2.353 1476 c HN 0.675 nan 8.230 nan 0.000 0.578 1477 T N -1.356 113.160 114.554 -0.062 0.000 3.412 1477 T HA 0.498 4.892 4.350 0.073 0.000 0.305 1477 T C 1.146 175.818 174.700 -0.047 0.000 0.892 1477 T CA 0.852 62.919 62.100 -0.055 0.000 0.936 1477 T CB -0.350 68.479 68.868 -0.065 0.000 1.202 1477 T HN 0.178 nan 8.240 nan 0.000 0.621 1478 I N 1.987 122.530 120.570 -0.044 0.000 2.373 1478 I HA 0.188 4.402 4.170 0.073 0.000 0.150 1478 I C 2.737 178.835 176.117 -0.032 0.000 0.990 1478 I CA 2.753 64.030 61.300 -0.038 0.000 1.320 1478 I CB -1.807 36.172 38.000 -0.036 0.000 1.102 1478 I HN 0.919 nan 8.210 nan 0.000 0.423 1479 N N -0.804 117.879 118.700 -0.028 0.000 1.775 1479 N HA -0.174 4.609 4.740 0.073 0.000 0.130 1479 N C 2.739 178.236 175.510 -0.021 0.000 0.499 1479 N CA 4.691 57.727 53.050 -0.023 0.000 0.818 1479 N CB -1.518 36.956 38.487 -0.021 0.000 0.761 1479 N HN 2.573 nan 8.380 nan 0.000 1.343 1480 G N -4.464 104.322 108.800 -0.023 0.000 4.109 1480 G HA2 0.548 4.552 3.960 0.073 0.000 0.191 1480 G HA3 0.548 4.552 3.960 0.073 0.000 0.191 1480 G C 1.019 175.905 174.900 -0.023 0.000 1.163 1480 G CA 1.762 46.849 45.100 -0.021 0.000 0.953 1480 G HN 1.551 nan 8.290 nan 0.000 0.502 1481 K N -1.115 119.271 120.400 -0.023 0.000 3.152 1481 K HA 0.603 4.967 4.320 0.073 0.000 0.247 1481 K C 0.926 177.511 176.600 -0.025 0.000 2.313 1481 K CA 1.516 57.789 56.287 -0.024 0.000 1.484 1481 K CB -0.996 31.493 32.500 -0.019 0.000 2.590 1481 K HN 1.292 nan 8.250 nan 0.000 0.508 1482 N N 0.602 119.290 118.700 -0.020 0.000 2.297 1482 N HA 0.490 5.274 4.740 0.073 0.000 0.232 1482 N C 0.859 176.356 175.510 -0.021 0.000 1.311 1482 N CA 1.943 54.982 53.050 -0.018 0.000 0.897 1482 N CB 0.160 38.639 38.487 -0.013 0.000 1.137 1482 N HN 1.378 nan 8.380 nan 0.000 0.449 1483 E N -1.682 118.506 120.200 -0.020 0.000 3.555 1483 E HA 0.556 4.950 4.350 0.073 0.000 0.221 1483 E C 1.210 177.801 176.600 -0.015 0.000 1.206 1483 E CA 0.702 57.089 56.400 -0.022 0.000 1.290 1483 E CB -0.729 28.952 29.700 -0.032 0.000 2.882 1483 E HN 1.242 nan 8.360 nan 0.000 0.845 1484 K N 1.081 121.471 120.400 -0.017 0.000 2.814 1484 K HA 0.719 5.083 4.320 0.073 0.000 0.213 1484 K C 0.883 177.484 176.600 0.001 0.000 1.113 1484 K CA 0.858 57.141 56.287 -0.008 0.000 1.145 1484 K CB -0.763 31.729 32.500 -0.013 0.000 0.948 1484 K HN 0.970 nan 8.250 nan 0.000 0.464 1495 D N -0.045 120.361 120.400 0.011 0.000 3.206 1495 D HA 0.309 4.993 4.640 0.073 0.000 0.267 1495 D C 0.475 176.787 176.300 0.021 0.000 1.506 1495 D CA 0.756 54.764 54.000 0.014 0.000 1.173 1495 D CB 0.602 41.410 40.800 0.013 0.000 1.141 1495 D HN 0.281 nan 8.370 nan 0.000 0.350 1496 K N 0.289 120.703 120.400 0.022 0.000 2.372 1496 K HA 0.518 4.882 4.320 0.073 0.000 0.251 1496 K C -0.380 176.238 176.600 0.029 0.000 1.055 1496 K CA -0.826 55.481 56.287 0.033 0.000 0.879 1496 K CB 2.423 34.944 32.500 0.036 0.000 1.384 1496 K HN -0.029 nan 8.250 nan 0.000 0.465 1497 I N 0.499 121.094 120.570 0.042 0.000 2.533 1497 I HA 0.107 4.320 4.170 0.073 0.000 0.284 1497 I C 0.134 176.258 176.117 0.012 0.000 1.109 1497 I CA -0.341 60.971 61.300 0.020 0.000 1.412 1497 I CB 0.358 38.371 38.000 0.021 0.000 1.396 1497 I HN 0.400 nan 8.210 nan 0.000 0.543 1498 Q N 5.434 125.231 119.800 -0.004 0.000 2.222 1498 Q HA 0.337 4.721 4.340 0.073 0.000 0.252 1498 Q C 0.882 176.875 176.000 -0.011 0.000 0.926 1498 Q CA 0.368 56.169 55.803 -0.004 0.000 0.899 1498 Q CB 1.862 30.597 28.738 -0.006 0.000 1.250 1498 Q HN 0.970 nan 8.270 nan 0.000 0.441 1499 G N 3.152 111.950 108.800 -0.003 0.000 3.451 1499 G HA2 -0.471 3.533 3.960 0.073 0.000 0.371 1499 G HA3 -0.471 3.533 3.960 0.073 0.000 0.371 1499 G C 1.056 175.950 174.900 -0.010 0.000 0.895 1499 G CA 2.350 47.448 45.100 -0.003 0.000 0.744 1499 G HN 1.067 nan 8.290 nan 0.000 1.227 1500 A N -1.256 121.555 122.820 -0.015 0.000 1.927 1500 A HA -0.177 4.187 4.320 0.073 0.000 0.220 1500 A C 2.804 180.368 177.584 -0.033 0.000 1.185 1500 A CA 3.068 55.093 52.037 -0.020 0.000 0.639 1500 A CB -1.334 17.651 19.000 -0.025 0.000 0.820 1500 A HN 1.426 nan 8.150 nan 0.000 0.451 1501 c N -0.539 118.033 118.600 -0.046 0.000 2.432 1501 c HA -0.106 4.507 4.570 0.073 0.000 0.277 1501 c C 2.710 176.741 174.090 -0.098 0.000 1.249 1501 c CA 1.762 58.046 56.329 -0.074 0.000 1.725 1501 c CB -1.118 41.347 42.510 -0.075 0.000 2.028 1501 c HN 0.700 nan 8.230 nan 0.000 0.477 1502 K N 0.242 120.598 120.400 -0.074 0.000 2.057 1502 K HA -0.133 4.231 4.320 0.073 0.000 0.207 1502 K C 2.599 179.179 176.600 -0.034 0.000 1.049 1502 K CA 1.997 58.239 56.287 -0.075 0.000 0.931 1502 K CB -0.296 32.199 32.500 -0.009 0.000 0.714 1502 K HN 0.502 nan 8.250 nan 0.000 0.440 1503 R N 1.791 122.289 120.500 -0.004 0.000 2.094 1503 R HA -0.154 4.230 4.340 0.073 0.000 0.239 1503 R C 2.149 178.476 176.300 0.045 0.000 1.137 1503 R CA 2.009 58.127 56.100 0.029 0.000 0.943 1503 R CB -1.171 29.144 30.300 0.024 0.000 0.850 1503 R HN 0.181 nan 8.270 nan 0.000 0.433 1504 K N 0.152 120.564 120.400 0.020 0.000 2.057 1504 K HA -0.053 4.311 4.320 0.073 0.000 0.207 1504 K C 2.382 179.026 176.600 0.074 0.000 1.049 1504 K CA 1.457 57.775 56.287 0.053 0.000 0.931 1504 K CB -1.095 31.406 32.500 0.002 0.000 0.714 1504 K HN 0.531 nan 8.250 nan 0.000 0.440 1505 c N 1.644 120.216 118.600 -0.047 0.000 2.425 1505 c HA -0.028 4.586 4.570 0.073 0.000 0.277 1505 c C 2.549 176.717 174.090 0.130 0.000 1.280 1505 c CA 0.431 56.684 56.329 -0.128 0.000 1.744 1505 c CB -0.491 41.591 42.510 -0.713 0.000 1.989 1505 c HN 0.476 nan 8.230 nan 0.000 0.491 1506 E N 1.153 121.442 120.200 0.149 0.000 2.106 1506 E HA -0.146 4.248 4.350 0.073 0.000 0.192 1506 E C 2.096 178.817 176.600 0.203 0.000 0.984 1506 E CA 1.006 57.566 56.400 0.268 0.000 0.806 1506 E CB -0.302 29.513 29.700 0.190 0.000 0.750 1506 E HN 0.647 nan 8.360 nan 0.000 0.458 1507 K N -0.093 120.416 120.400 0.181 0.000 2.097 1507 K HA -0.173 4.191 4.320 0.073 0.000 0.206 1507 K C 2.146 178.778 176.600 0.052 0.000 1.049 1507 K CA 1.097 57.496 56.287 0.186 0.000 0.933 1507 K CB -0.246 32.428 32.500 0.291 0.000 0.717 1507 K HN 0.094 nan 8.250 nan 0.000 0.442 1508 Y N 2.105 122.336 120.300 -0.116 0.000 2.200 1508 Y HA -0.187 4.407 4.550 0.073 0.000 0.290 1508 Y C 2.247 178.133 175.900 -0.023 0.000 1.137 1508 Y CA 1.462 59.383 58.100 -0.298 0.000 1.163 1508 Y CB -0.069 38.362 38.460 -0.047 0.000 0.988 1508 Y HN -0.122 nan 8.280 nan 0.000 0.518 1509 K N 0.609 121.060 120.400 0.085 0.000 2.063 1509 K HA -0.266 4.098 4.320 0.073 0.000 0.208 1509 K C 2.352 178.926 176.600 -0.043 0.000 1.048 1509 K CA 1.947 58.234 56.287 0.001 0.000 0.928 1509 K CB -0.256 32.320 32.500 0.128 0.000 0.713 1509 K HN 0.297 nan 8.250 nan 0.000 0.442 1510 K N -0.415 120.002 120.400 0.028 0.000 2.057 1510 K HA -0.226 4.138 4.320 0.073 0.000 0.207 1510 K C 2.186 178.821 176.600 0.059 0.000 1.049 1510 K CA 1.530 57.850 56.287 0.055 0.000 0.931 1510 K CB -0.346 32.215 32.500 0.102 0.000 0.714 1510 K HN 0.199 nan 8.250 nan 0.000 0.440 1511 Y N 1.737 121.959 120.300 -0.131 0.000 2.097 1511 Y HA -0.224 4.370 4.550 0.073 0.000 0.282 1511 Y C 1.856 177.736 175.900 -0.033 0.000 1.152 1511 Y CA 1.794 59.830 58.100 -0.106 0.000 1.136 1511 Y CB -0.308 37.934 38.460 -0.363 0.000 0.975 1511 Y HN 0.030 nan 8.280 nan 0.000 0.498 1512 I N -0.891 119.540 120.570 -0.231 0.000 2.208 1512 I HA -0.364 3.849 4.170 0.073 0.000 0.245 1512 I C 2.774 178.904 176.117 0.022 0.000 1.097 1512 I CA 1.777 62.980 61.300 -0.161 0.000 1.363 1512 I CB -0.716 37.082 38.000 -0.336 0.000 1.051 1512 I HN 0.269 nan 8.210 nan 0.000 0.413 1513 S N 0.553 116.245 115.700 -0.013 0.000 2.370 1513 S HA -0.238 4.275 4.470 0.073 0.000 0.226 1513 S C 1.856 176.479 174.600 0.038 0.000 1.033 1513 S CA 1.789 60.008 58.200 0.032 0.000 1.011 1513 S CB -0.196 63.015 63.200 0.019 0.000 0.852 1513 S HN 0.471 nan 8.310 nan 0.000 0.457 1514 E N 0.072 120.284 120.200 0.020 0.000 2.107 1514 E HA -0.042 4.352 4.350 0.073 0.000 0.191 1514 E C 2.069 178.683 176.600 0.023 0.000 0.982 1514 E CA 0.801 57.221 56.400 0.033 0.000 0.809 1514 E CB 0.027 29.765 29.700 0.064 0.000 0.756 1514 E HN 0.319 nan 8.360 nan 0.000 0.459 1515 K N 1.075 121.469 120.400 -0.010 0.000 2.366 1515 K HA -0.044 4.319 4.320 0.073 0.000 0.198 1515 K C 1.775 178.350 176.600 -0.042 0.000 1.044 1515 K CA 0.427 56.751 56.287 0.063 0.000 0.973 1515 K CB -0.029 32.511 32.500 0.067 0.000 0.767 1515 K HN 0.042 nan 8.250 nan 0.000 0.475 1516 K N 1.753 122.151 120.400 -0.004 0.000 2.063 1516 K HA -0.191 4.173 4.320 0.073 0.000 0.208 1516 K C 1.942 178.412 176.600 -0.216 0.000 1.048 1516 K CA 1.471 57.657 56.287 -0.168 0.000 0.928 1516 K CB 0.127 32.694 32.500 0.111 0.000 0.713 1516 K HN 0.197 nan 8.250 nan 0.000 0.442 1517 Q N 0.206 119.930 119.800 -0.125 0.000 2.084 1517 Q HA -0.197 4.187 4.340 0.073 0.000 0.202 1517 Q C 1.962 177.814 176.000 -0.246 0.000 0.978 1517 Q CA 1.796 57.514 55.803 -0.142 0.000 0.844 1517 Q CB -0.097 28.596 28.738 -0.074 0.000 0.898 1517 Q HN 0.447 nan 8.270 nan 0.000 0.426 1518 E N 0.264 120.310 120.200 -0.258 0.000 2.072 1518 E HA -0.172 4.222 4.350 0.073 0.000 0.191 1518 E C 1.661 177.751 176.600 -0.849 0.000 0.985 1518 E CA 0.807 56.937 56.400 -0.450 0.000 0.801 1518 E CB -0.257 29.286 29.700 -0.262 0.000 0.750 1518 E HN 0.493 nan 8.360 nan 0.000 0.452 1519 W N 2.457 123.128 121.300 -1.049 0.000 2.354 1519 W HA -0.208 4.496 4.660 0.074 0.000 0.315 1519 W C 1.092 177.127 176.519 -0.806 0.000 1.206 1519 W CA 1.468 58.087 57.345 -1.209 0.000 1.290 1519 W CB -0.211 28.386 29.460 -1.438 0.000 1.152 1519 W HN 0.024 nan 8.180 nan 0.000 0.489 1520 D N 0.628 120.631 120.400 -0.661 0.000 2.106 1520 D HA -0.223 4.460 4.640 0.073 0.000 0.191 1520 D C 2.064 178.006 176.300 -0.597 0.000 0.997 1520 D CA 2.140 55.796 54.000 -0.573 0.000 0.834 1520 D CB -0.497 40.135 40.800 -0.279 0.000 0.956 1520 D HN 0.255 nan 8.370 nan 0.000 0.448 1521 K N 0.252 120.336 120.400 -0.527 0.000 2.032 1521 K HA -0.144 4.220 4.320 0.073 0.000 0.209 1521 K C 2.339 178.583 176.600 -0.593 0.000 1.048 1521 K CA 1.111 57.124 56.287 -0.457 0.000 0.927 1521 K CB -0.133 32.156 32.500 -0.353 0.000 0.712 1521 K HN 0.238 nan 8.250 nan 0.000 0.441 1522 Q N 0.662 119.924 119.800 -0.896 0.000 2.079 1522 Q HA -0.135 4.249 4.340 0.073 0.000 0.200 1522 Q C 2.144 177.402 176.000 -1.236 0.000 0.974 1522 Q CA 1.166 56.240 55.803 -1.215 0.000 0.840 1522 Q CB -0.035 27.542 28.738 -1.935 0.000 0.898 1522 Q HN 0.224 nan 8.270 nan 0.000 0.430 1523 K N 0.413 120.048 120.400 -1.275 0.000 2.032 1523 K HA -0.159 4.205 4.320 0.073 0.000 0.209 1523 K C 1.959 178.292 176.600 -0.445 0.000 1.048 1523 K CA 1.763 57.508 56.287 -0.903 0.000 0.927 1523 K CB -0.030 31.651 32.500 -1.365 0.000 0.712 1523 K HN 0.106 nan 8.250 nan 0.000 0.441 1524 T N 1.093 115.379 114.554 -0.446 0.000 2.708 1524 T HA -0.161 4.232 4.350 0.073 0.000 0.266 1524 T C 1.803 176.384 174.700 -0.199 0.000 1.037 1524 T CA 1.709 63.649 62.100 -0.268 0.000 1.146 1524 T CB -0.160 68.558 68.868 -0.251 0.000 0.865 1524 T HN 0.329 nan 8.240 nan 0.000 0.435 1525 K N -0.239 120.023 120.400 -0.230 0.000 2.057 1525 K HA -0.143 4.221 4.320 0.073 0.000 0.207 1525 K C 2.193 178.763 176.600 -0.050 0.000 1.049 1525 K CA 1.300 57.498 56.287 -0.149 0.000 0.931 1525 K CB -0.292 32.107 32.500 -0.167 0.000 0.714 1525 K HN 0.454 nan 8.250 nan 0.000 0.440 1526 Y N 1.460 121.684 120.300 -0.127 0.000 2.133 1526 Y HA -0.183 4.410 4.550 0.072 0.000 0.287 1526 Y C 1.772 177.738 175.900 0.109 0.000 1.134 1526 Y CA 1.926 60.072 58.100 0.077 0.000 1.133 1526 Y CB 0.080 38.638 38.460 0.163 0.000 0.987 1526 Y HN 0.154 nan 8.280 nan 0.000 0.502 1527 E N -0.180 120.019 120.200 -0.002 0.000 2.204 1527 E HA -0.193 4.201 4.350 0.073 0.000 0.195 1527 E C 1.666 178.191 176.600 -0.124 0.000 0.990 1527 E CA 0.946 57.298 56.400 -0.080 0.000 0.821 1527 E CB -0.106 29.599 29.700 0.009 0.000 0.750 1527 E HN 0.507 nan 8.360 nan 0.000 0.477 1528 N N 0.645 119.270 118.700 -0.125 0.000 2.300 1528 N HA -0.101 4.683 4.740 0.073 0.000 0.179 1528 N C 1.532 176.935 175.510 -0.178 0.000 1.016 1528 N CA 0.815 53.786 53.050 -0.131 0.000 0.876 1528 N CB 0.042 38.458 38.487 -0.119 0.000 0.979 1528 N HN 0.100 nan 8.380 nan 0.000 0.432 1529 K N -0.490 119.772 120.400 -0.229 0.000 2.137 1529 K HA 0.001 4.365 4.320 0.073 0.000 0.202 1529 K C -0.222 176.028 176.600 -0.584 0.000 1.052 1529 K CA 0.647 56.705 56.287 -0.382 0.000 0.961 1529 K CB 0.144 32.404 32.500 -0.400 0.000 0.741 1529 K HN 0.060 nan 8.250 nan 0.000 0.452 1530 Y N 1.515 121.589 120.300 -0.376 0.000 2.958 1530 Y HA 0.213 4.805 4.550 0.071 0.000 0.336 1530 Y C -0.637 175.095 175.900 -0.281 0.000 1.160 1530 Y CA -0.954 56.917 58.100 -0.382 0.000 1.292 1530 Y CB 0.772 38.833 38.460 -0.666 0.000 1.306 1530 Y HN -0.275 nan 8.280 nan 0.000 0.547 1531 V N 2.056 121.901 119.914 -0.115 0.000 2.584 1531 V HA 0.107 4.271 4.120 0.073 0.000 0.303 1531 V C 1.278 177.356 176.094 -0.027 0.000 1.035 1531 V CA 1.696 63.953 62.300 -0.071 0.000 1.172 1531 V CB 0.113 31.892 31.823 -0.073 0.000 0.896 1531 V HN 1.056 nan 8.190 nan 0.000 0.486 1532 G N 3.472 112.266 108.800 -0.011 0.000 2.317 1532 G HA2 -0.238 3.766 3.960 0.073 0.000 0.227 1532 G HA3 -0.238 3.766 3.960 0.073 0.000 0.227 1532 G C 0.381 175.305 174.900 0.039 0.000 1.042 1532 G CA 0.163 45.271 45.100 0.014 0.000 0.623 1532 G HN 0.710 nan 8.290 nan 0.000 0.509 1533 K N 0.895 121.321 120.400 0.042 0.000 2.185 1533 K HA 0.675 5.039 4.320 0.073 0.000 0.271 1533 K C 0.660 177.364 176.600 0.172 0.000 1.013 1533 K CA 0.142 56.491 56.287 0.103 0.000 0.943 1533 K CB 1.563 34.125 32.500 0.104 0.000 0.998 1533 K HN 1.331 nan 8.250 nan 0.000 0.468 1534 S N 0.098 115.932 115.700 0.222 0.000 2.509 1534 S HA 0.580 5.094 4.470 0.073 0.000 0.297 1534 S C 1.229 175.988 174.600 0.265 0.000 1.118 1534 S CA -0.328 58.013 58.200 0.235 0.000 1.074 1534 S CB 1.776 65.080 63.200 0.173 0.000 1.038 1534 S HN 0.696 nan 8.310 nan 0.000 0.498 1535 A N 2.396 125.357 122.820 0.235 0.000 1.933 1535 A HA -0.013 4.351 4.320 0.073 0.000 0.218 1535 A C 2.363 179.916 177.584 -0.052 0.000 1.175 1535 A CA 1.880 53.916 52.037 -0.002 0.000 0.628 1535 A CB -1.400 17.614 19.000 0.024 0.000 0.814 1535 A HN 0.960 nan 8.150 nan 0.000 0.444 1536 S N -0.210 115.598 115.700 0.179 0.000 2.359 1536 S HA -0.206 4.307 4.470 0.073 0.000 0.224 1536 S C 1.717 176.394 174.600 0.129 0.000 1.035 1536 S CA 1.824 60.145 58.200 0.201 0.000 1.018 1536 S CB -0.511 62.913 63.200 0.373 0.000 0.876 1536 S HN 0.574 nan 8.310 nan 0.000 0.448 1537 D N 1.016 121.478 120.400 0.104 0.000 2.117 1537 D HA -0.083 4.601 4.640 0.073 0.000 0.197 1537 D C 1.925 178.214 176.300 -0.019 0.000 0.987 1537 D CA 0.972 55.011 54.000 0.065 0.000 0.829 1537 D CB -0.636 40.208 40.800 0.073 0.000 0.961 1537 D HN 0.379 nan 8.370 nan 0.000 0.460 1538 L N 0.489 121.642 121.223 -0.117 0.000 2.013 1538 L HA -0.170 4.214 4.340 0.073 0.000 0.212 1538 L C 2.111 178.840 176.870 -0.234 0.000 1.073 1538 L CA 1.550 56.236 54.840 -0.258 0.000 0.753 1538 L CB -0.386 41.313 42.059 -0.601 0.000 0.890 1538 L HN 0.034 nan 8.230 nan 0.000 0.432 1539 L N -1.065 120.038 121.223 -0.201 0.000 2.072 1539 L HA -0.147 4.237 4.340 0.073 0.000 0.205 1539 L C 2.548 179.494 176.870 0.125 0.000 1.079 1539 L CA 1.254 56.087 54.840 -0.012 0.000 0.752 1539 L CB -0.569 41.473 42.059 -0.029 0.000 0.906 1539 L HN 0.195 nan 8.230 nan 0.000 0.436 1540 K N 0.258 120.750 120.400 0.153 0.000 2.148 1540 K HA -0.139 4.225 4.320 0.073 0.000 0.204 1540 K C 1.835 178.463 176.600 0.046 0.000 1.050 1540 K CA 1.099 57.480 56.287 0.157 0.000 0.942 1540 K CB 0.012 32.620 32.500 0.180 0.000 0.724 1540 K HN 0.356 nan 8.250 nan 0.000 0.446 1541 E N 0.195 120.382 120.200 -0.020 0.000 2.358 1541 E HA -0.032 4.362 4.350 0.073 0.000 0.195 1541 E C 1.338 177.846 176.600 -0.153 0.000 1.010 1541 E CA 0.406 56.768 56.400 -0.063 0.000 0.856 1541 E CB 0.181 29.845 29.700 -0.059 0.000 0.795 1541 E HN 0.285 nan 8.360 nan 0.000 0.504 1542 N N -0.444 118.082 118.700 -0.290 0.000 2.482 1542 N HA 0.019 4.803 4.740 0.073 0.000 0.179 1542 N C -0.393 174.655 175.510 -0.769 0.000 1.039 1542 N CA 0.519 53.191 53.050 -0.630 0.000 0.884 1542 N CB 0.626 38.512 38.487 -1.002 0.000 1.113 1542 N HN 0.090 nan 8.380 nan 0.000 0.440 1543 Y N 0.170 120.499 120.300 0.048 0.000 2.331 1543 Y HA 0.356 4.949 4.550 0.072 0.000 0.334 1543 Y C -1.754 174.201 175.900 0.091 0.000 0.960 1543 Y CA -2.016 56.134 58.100 0.084 0.000 1.130 1543 Y CB 2.035 40.555 38.460 0.101 0.000 1.164 1543 Y HN -0.089 nan 8.280 nan 0.000 0.458 1544 P HA -0.177 nan 4.420 nan 0.000 0.216 1544 P C 0.758 178.138 177.300 0.134 0.000 1.150 1544 P CA 1.541 64.724 63.100 0.137 0.000 0.843 1544 P CB 0.414 32.185 31.700 0.119 0.000 0.787 1545 E N -1.528 118.770 120.200 0.163 0.000 2.265 1545 E HA -0.133 4.261 4.350 0.073 0.000 0.196 1545 E C 1.542 178.214 176.600 0.120 0.000 0.996 1545 E CA 0.924 57.393 56.400 0.115 0.000 0.832 1545 E CB -0.940 28.819 29.700 0.098 0.000 0.756 1545 E HN 0.273 nan 8.360 nan 0.000 0.491 1546 c N 0.020 118.740 118.600 0.199 0.000 2.618 1546 c HA 0.198 4.811 4.570 0.073 0.000 0.264 1546 c C 2.212 176.383 174.090 0.135 0.000 1.334 1546 c CA -0.445 56.020 56.329 0.226 0.000 1.731 1546 c CB -0.949 41.824 42.510 0.438 0.000 1.852 1546 c HN 0.417 nan 8.230 nan 0.000 0.566 1547 I N 2.146 122.778 120.570 0.103 0.000 2.208 1547 I HA -0.211 4.002 4.170 0.073 0.000 0.245 1547 I C 2.511 178.639 176.117 0.017 0.000 1.097 1547 I CA 2.216 63.555 61.300 0.065 0.000 1.363 1547 I CB -0.333 37.699 38.000 0.053 0.000 1.051 1547 I HN 0.413 nan 8.210 nan 0.000 0.413 1548 S N 0.514 116.211 115.700 -0.006 0.000 2.603 1548 S HA 0.251 4.765 4.470 0.073 0.000 0.220 1548 S C 0.949 175.487 174.600 -0.102 0.000 0.967 1548 S CA -0.075 58.103 58.200 -0.036 0.000 0.920 1548 S CB -0.297 62.896 63.200 -0.012 0.000 0.773 1548 S HN 0.257 nan 8.310 nan 0.000 0.529 1549 A N 2.400 125.113 122.820 -0.179 0.000 2.309 1549 A HA 0.508 4.872 4.320 0.073 0.000 0.290 1549 A C 0.123 177.420 177.584 -0.479 0.000 1.206 1549 A CA -0.625 51.167 52.037 -0.407 0.000 0.850 1549 A CB 0.022 18.620 19.000 -0.670 0.000 1.118 1549 A HN 0.328 nan 8.150 nan 0.000 0.523 1550 N N 3.361 121.856 118.700 -0.343 0.000 2.678 1550 N HA 0.226 5.010 4.740 0.073 0.000 0.231 1550 N C 0.227 175.620 175.510 -0.194 0.000 1.038 1550 N CA -0.537 52.407 53.050 -0.177 0.000 0.932 1550 N CB -0.315 38.116 38.487 -0.093 0.000 1.176 1550 N HN 0.531 nan 8.380 nan 0.000 0.511 1551 F N 0.932 120.845 119.950 -0.062 0.000 2.120 1551 F HA -0.190 4.381 4.527 0.074 0.000 0.300 1551 F C 1.925 177.628 175.800 -0.162 0.000 1.095 1551 F CA 1.069 58.920 58.000 -0.249 0.000 1.249 1551 F CB 0.130 38.877 39.000 -0.423 0.000 0.995 1551 F HN 0.363 nan 8.300 nan 0.000 0.480 1552 D N -0.427 120.093 120.400 0.199 0.000 2.144 1552 D HA -0.206 4.478 4.640 0.073 0.000 0.199 1552 D C 2.026 178.343 176.300 0.028 0.000 0.984 1552 D CA 1.285 55.387 54.000 0.170 0.000 0.834 1552 D CB -0.513 40.401 40.800 0.189 0.000 0.955 1552 D HN 0.276 nan 8.370 nan 0.000 0.465 1553 F N 1.300 121.167 119.950 -0.138 0.000 2.149 1553 F HA 0.001 4.572 4.527 0.073 0.000 0.294 1553 F C 2.271 177.869 175.800 -0.338 0.000 1.095 1553 F CA 0.662 58.528 58.000 -0.224 0.000 1.276 1553 F CB -0.180 38.728 39.000 -0.153 0.000 1.023 1553 F HN -0.204 nan 8.300 nan 0.000 0.480 1554 I N -0.637 119.809 120.570 -0.206 0.000 2.208 1554 I HA -0.307 3.907 4.170 0.073 0.000 0.245 1554 I C 0.928 176.639 176.117 -0.676 0.000 1.097 1554 I CA 1.512 62.536 61.300 -0.460 0.000 1.363 1554 I CB -0.452 37.116 38.000 -0.721 0.000 1.051 1554 I HN 0.018 nan 8.210 nan 0.000 0.413 1555 F N 0.392 120.159 119.950 -0.306 0.000 2.983 1555 F HA 0.233 4.805 4.527 0.074 0.000 0.307 1555 F C 0.535 176.169 175.800 -0.276 0.000 1.218 1555 F CA -0.852 56.992 58.000 -0.260 0.000 1.323 1555 F CB -0.391 38.445 39.000 -0.273 0.000 0.989 1555 F HN -0.038 nan 8.300 nan 0.000 0.509 1556 N N 1.070 119.465 118.700 -0.508 0.000 2.513 1556 N HA 0.165 4.949 4.740 0.073 0.000 0.268 1556 N C 0.783 176.096 175.510 -0.328 0.000 1.180 1556 N CA 0.967 53.692 53.050 -0.542 0.000 0.948 1556 N CB 0.966 38.813 38.487 -1.066 0.000 1.083 1556 N HN 0.395 nan 8.380 nan 0.000 0.455 1557 D N 2.019 122.343 120.400 -0.127 0.000 2.339 1557 D HA 0.026 4.709 4.640 0.073 0.000 0.217 1557 D C 0.124 176.421 176.300 -0.004 0.000 1.050 1557 D CA -0.094 53.886 54.000 -0.033 0.000 0.856 1557 D CB -0.435 40.362 40.800 -0.005 0.000 0.922 1557 D HN 0.556 nan 8.370 nan 0.000 0.518 1558 N N -0.612 118.084 118.700 -0.007 0.000 2.441 1558 N HA 0.239 5.023 4.740 0.073 0.000 0.251 1558 N C 1.702 177.249 175.510 0.062 0.000 1.242 1558 N CA 0.620 53.692 53.050 0.037 0.000 0.898 1558 N CB 1.315 39.839 38.487 0.062 0.000 1.100 1558 N HN 0.375 nan 8.380 nan 0.000 0.443 1559 I N 0.806 121.385 120.570 0.015 0.000 2.500 1559 I HA -0.090 4.123 4.170 0.073 0.000 0.252 1559 I C 2.236 178.307 176.117 -0.075 0.000 1.142 1559 I CA 2.157 63.444 61.300 -0.021 0.000 1.451 1559 I CB -1.871 36.105 38.000 -0.039 0.000 1.093 1559 I HN 0.706 nan 8.210 nan 0.000 0.430 1560 E N -0.705 119.440 120.200 -0.091 0.000 2.204 1560 E HA -0.257 4.137 4.350 0.073 0.000 0.194 1560 E C 2.041 178.523 176.600 -0.197 0.000 0.989 1560 E CA 1.142 57.382 56.400 -0.266 0.000 0.824 1560 E CB -1.151 28.428 29.700 -0.201 0.000 0.756 1560 E HN 0.956 nan 8.360 nan 0.000 0.477 1561 Y N 1.353 121.606 120.300 -0.079 0.000 2.114 1561 Y HA -0.064 4.530 4.550 0.073 0.000 0.284 1561 Y C 2.864 178.761 175.900 -0.005 0.000 1.143 1561 Y CA 3.337 61.465 58.100 0.047 0.000 1.135 1561 Y CB -0.579 37.862 38.460 -0.030 0.000 0.980 1561 Y HN 0.273 nan 8.280 nan 0.000 0.499 1562 K N -0.428 119.907 120.400 -0.107 0.000 2.360 1562 K HA -0.048 4.316 4.320 0.073 0.000 0.201 1562 K C 1.934 178.392 176.600 -0.237 0.000 1.046 1562 K CA 1.950 58.114 56.287 -0.204 0.000 0.945 1562 K CB -1.987 30.466 32.500 -0.078 0.000 0.750 1562 K HN 0.708 nan 8.250 nan 0.000 0.464 1563 T N -1.263 113.137 114.554 -0.258 0.000 2.866 1563 T HA 0.137 4.531 4.350 0.073 0.000 0.250 1563 T C 2.077 176.637 174.700 -0.233 0.000 1.033 1563 T CA 1.126 63.066 62.100 -0.266 0.000 1.145 1563 T CB -0.213 68.444 68.868 -0.352 0.000 0.866 1563 T HN 0.305 nan 8.240 nan 0.000 0.434 1564 Y N 0.140 120.215 120.300 -0.376 0.000 2.263 1564 Y HA 0.142 4.736 4.550 0.073 0.000 0.292 1564 Y C 0.187 175.610 175.900 -0.796 0.000 1.130 1564 Y CA -0.186 57.524 58.100 -0.650 0.000 1.179 1564 Y CB -0.272 37.600 38.460 -0.979 0.000 0.998 1564 Y HN 0.417 nan 8.280 nan 0.000 0.532 1565 Y N -1.024 119.211 120.300 -0.108 0.000 2.658 1565 Y HA 0.382 4.976 4.550 0.073 0.000 0.362 1565 Y C -1.979 173.677 175.900 -0.406 0.000 1.017 1565 Y CA -3.348 54.618 58.100 -0.224 0.000 1.134 1565 Y CB 0.463 38.726 38.460 -0.329 0.000 1.144 1565 Y HN -0.060 nan 8.280 nan 0.000 0.655 1566 P HA -0.154 nan 4.420 nan 0.000 0.219 1566 P C 0.076 176.989 177.300 -0.644 0.000 1.146 1566 P CA 1.740 64.548 63.100 -0.487 0.000 0.808 1566 P CB 0.035 31.384 31.700 -0.585 0.000 0.779 1567 Y N -1.525 118.811 120.300 0.060 0.000 2.720 1567 Y HA 0.409 5.003 4.550 0.073 0.000 0.277 1567 Y C 1.794 177.821 175.900 0.212 0.000 1.144 1567 Y CA -0.163 58.031 58.100 0.157 0.000 1.221 1567 Y CB -0.255 38.336 38.460 0.219 0.000 1.163 1567 Y HN -0.037 nan 8.280 nan 0.000 0.537 1568 G N 1.685 110.549 108.800 0.107 0.000 2.596 1568 G HA2 -0.453 3.551 3.960 0.073 0.000 0.295 1568 G HA3 -0.453 3.551 3.960 0.073 0.000 0.295 1568 G C 1.000 176.121 174.900 0.368 0.000 1.240 1568 G CA 0.738 45.924 45.100 0.145 0.000 0.985 1568 G HN 0.489 nan 8.290 nan 0.000 0.555 1569 D N -0.584 120.014 120.400 0.331 0.000 2.351 1569 D HA -0.045 4.639 4.640 0.073 0.000 0.216 1569 D C 1.395 177.765 176.300 0.116 0.000 0.968 1569 D CA 1.626 55.733 54.000 0.178 0.000 0.899 1569 D CB -0.195 40.553 40.800 -0.086 0.000 0.907 1569 D HN 0.481 nan 8.370 nan 0.000 0.514 1570 Y N 0.604 121.033 120.300 0.214 0.000 2.571 1570 Y HA 0.315 4.909 4.550 0.073 0.000 0.275 1570 Y C 2.048 178.044 175.900 0.159 0.000 1.179 1570 Y CA -1.202 56.945 58.100 0.079 0.000 1.242 1570 Y CB 0.077 38.467 38.460 -0.117 0.000 1.126 1570 Y HN -0.104 nan 8.280 nan 0.000 0.524 1571 S N -0.714 115.219 115.700 0.388 0.000 2.399 1571 S HA -0.158 4.356 4.470 0.073 0.000 0.231 1571 S C 2.166 176.921 174.600 0.258 0.000 1.022 1571 S CA 1.608 60.035 58.200 0.378 0.000 0.983 1571 S CB -0.034 63.415 63.200 0.415 0.000 0.803 1571 S HN 0.401 nan 8.310 nan 0.000 0.480 1572 S N 0.820 116.642 115.700 0.204 0.000 2.414 1572 S HA 0.049 4.563 4.470 0.073 0.000 0.227 1572 S C 2.191 176.833 174.600 0.070 0.000 1.022 1572 S CA 1.059 59.334 58.200 0.124 0.000 0.958 1572 S CB -0.501 62.757 63.200 0.096 0.000 0.797 1572 S HN 0.670 nan 8.310 nan 0.000 0.493 1573 I N -0.201 120.404 120.570 0.058 0.000 2.500 1573 I HA 0.076 4.290 4.170 0.073 0.000 0.252 1573 I C 1.858 177.954 176.117 -0.034 0.000 1.142 1573 I CA 0.936 62.224 61.300 -0.019 0.000 1.451 1573 I CB -1.357 36.589 38.000 -0.091 0.000 1.093 1573 I HN 0.454 nan 8.210 nan 0.000 0.430 1574 c N 1.928 120.526 118.600 -0.002 0.000 2.319 1574 c HA 0.717 5.330 4.570 0.073 0.000 0.350 1574 c C 1.206 175.293 174.090 -0.005 0.000 1.326 1574 c CA 0.421 56.700 56.329 -0.082 0.000 1.737 1574 c CB -2.435 39.941 42.510 -0.223 0.000 1.988 1574 c HN 1.012 nan 8.230 nan 0.000 0.582 1575 S N 0.000 115.714 115.700 0.023 0.000 2.498 1575 S HA 0.000 4.514 4.470 0.073 0.000 0.327 1575 S CA 0.000 58.225 58.200 0.043 0.000 1.107 1575 S CB 0.000 63.254 63.200 0.089 0.000 0.593 1575 S HN 0.000 nan 8.310 nan 0.000 0.517