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 3hs0_1_H DATA FIRST_RESID 1250 DATA SEQUENCE DLNLDITIEL PDREVPIRYR INYENALLAR TVETKLNQDI TVTASGDGKA DATA SEQUENCE TMTILTFYNA QLQEKANVcN KFHLNVSVEN IHLNXXXXXG ALMLKIcTRY DATA SEQUENCE LGEVDSTMTI IDISMLTGFL PDAEDLTRLS KGVDRYISRY EVDNNMAQKV DATA SEQUENCE AVIIYLNKVS HSEDEcLHFK ILKHFEVGFI QPGSVKVYSY YNLDEKcTKF DATA SEQUENCE YHPDKGTGLL NKIcIGNVcR CAGETcSSLN HQERIDVPLQ IEKAcETNVD DATA SEQUENCE YVYKTKLLRI EEQDGNDIYV MDVLEVIKQG TDENPRAKTH QYISQRKcQE DATA SEQUENCE ALNLKVNDDY LIWGSRSDLL PTKDKISYII TKNTWIERWP HEDEcQEEEF DATA SEQUENCE QKLcDDFAQF SYTLTEFGcP T 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 1250 D HA 0.000 nan 4.640 nan 0.000 0.175 1250 D C 0.000 176.318 176.300 0.030 0.000 2.045 1250 D CA 0.000 54.002 54.000 0.003 0.000 0.868 1250 D CB 0.000 40.789 40.800 -0.017 0.000 0.688 1251 L N 1.810 123.069 121.223 0.061 0.000 2.360 1251 L HA 0.583 4.923 4.340 -0.000 0.000 0.276 1251 L C -0.839 176.067 176.870 0.061 0.000 1.121 1251 L CA 0.404 55.285 54.840 0.069 0.000 0.845 1251 L CB 0.123 42.242 42.059 0.101 0.000 1.143 1251 L HN 0.330 nan 8.230 nan 0.000 0.452 1252 N N 4.598 123.325 118.700 0.045 0.000 3.112 1252 N HA 0.305 5.045 4.740 -0.000 0.000 0.231 1252 N C -2.092 173.440 175.510 0.036 0.000 1.385 1252 N CA -0.285 52.789 53.050 0.041 0.000 0.790 1252 N CB 0.492 38.999 38.487 0.034 0.000 1.563 1252 N HN 0.604 nan 8.380 nan 0.000 0.613 1253 L N 1.437 122.683 121.223 0.039 0.000 2.341 1253 L HA 0.594 4.934 4.340 -0.000 0.000 0.278 1253 L C -0.928 175.972 176.870 0.050 0.000 1.005 1253 L CA -0.723 54.141 54.840 0.039 0.000 0.818 1253 L CB 1.526 43.607 42.059 0.036 0.000 1.259 1253 L HN 0.402 nan 8.230 nan 0.000 0.418 1254 D N 4.686 125.114 120.400 0.047 0.000 2.168 1254 D HA 0.507 5.147 4.640 -0.000 0.000 0.246 1254 D C -0.452 175.885 176.300 0.061 0.000 1.050 1254 D CA -0.119 53.913 54.000 0.054 0.000 0.857 1254 D CB 2.493 43.315 40.800 0.037 0.000 1.169 1254 D HN 0.164 nan 8.370 nan 0.000 0.453 1255 I N 1.559 122.180 120.570 0.084 0.000 2.498 1255 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 1255 I C -0.032 176.108 176.117 0.038 0.000 1.032 1255 I CA -0.409 60.944 61.300 0.088 0.000 1.073 1255 I CB 1.997 40.102 38.000 0.176 0.000 1.251 1255 I HN 0.092 nan 8.210 nan 0.000 0.426 1256 T N 7.020 121.584 114.554 0.016 0.000 2.812 1256 T HA 0.650 5.000 4.350 -0.000 0.000 0.282 1256 T C -0.085 174.607 174.700 -0.014 0.000 0.990 1256 T CA -0.305 61.783 62.100 -0.020 0.000 0.960 1256 T CB 1.534 70.392 68.868 -0.016 0.000 0.948 1256 T HN 0.274 nan 8.240 nan 0.000 0.438 1257 I N 3.134 123.678 120.570 -0.042 0.000 2.420 1257 I HA 0.321 4.491 4.170 -0.000 0.000 0.282 1257 I C 0.078 176.177 176.117 -0.030 0.000 1.019 1257 I CA -0.629 60.658 61.300 -0.021 0.000 1.130 1257 I CB 1.580 39.575 38.000 -0.008 0.000 1.262 1257 I HN 0.501 nan 8.210 nan 0.000 0.454 1258 E N 7.041 127.231 120.200 -0.016 0.000 2.174 1258 E HA 0.626 4.976 4.350 -0.000 0.000 0.282 1258 E C -1.172 175.422 176.600 -0.010 0.000 0.992 1258 E CA -0.566 55.824 56.400 -0.016 0.000 0.803 1258 E CB 1.969 31.661 29.700 -0.013 0.000 1.090 1258 E HN 0.422 nan 8.360 nan 0.000 0.396 1259 L N 4.621 125.838 121.223 -0.010 0.000 2.385 1259 L HA 0.334 4.674 4.340 -0.000 0.000 0.273 1259 L C -1.968 174.899 176.870 -0.005 0.000 0.990 1259 L CA -2.003 52.834 54.840 -0.005 0.000 0.821 1259 L CB 1.969 44.028 42.059 -0.001 0.000 1.279 1259 L HN 0.346 nan 8.230 nan 0.000 0.412 1260 P HA -0.161 nan 4.420 nan 0.000 0.226 1260 P C 0.621 177.919 177.300 -0.002 0.000 1.146 1260 P CA 1.031 64.129 63.100 -0.004 0.000 0.773 1260 P CB 0.050 31.748 31.700 -0.003 0.000 0.772 1261 D N -0.710 119.690 120.400 -0.001 0.000 2.347 1261 D HA -0.061 4.579 4.640 -0.000 0.000 0.215 1261 D C 0.847 177.146 176.300 -0.001 0.000 0.976 1261 D CA 0.362 54.363 54.000 0.001 0.000 0.884 1261 D CB 0.169 40.971 40.800 0.005 0.000 0.915 1261 D HN 0.319 nan 8.370 nan 0.000 0.526 1262 R N -0.756 119.741 120.500 -0.005 0.000 2.781 1262 R HA 0.379 4.719 4.340 -0.000 0.000 0.269 1262 R C -0.102 176.192 176.300 -0.010 0.000 1.025 1262 R CA -0.810 55.286 56.100 -0.007 0.000 0.914 1262 R CB 1.315 31.610 30.300 -0.009 0.000 1.236 1262 R HN -0.296 nan 8.270 nan 0.000 0.465 1263 E N 0.484 120.678 120.200 -0.011 0.000 2.038 1263 E HA 0.054 4.404 4.350 -0.000 0.000 0.190 1263 E C 0.159 176.749 176.600 -0.017 0.000 0.967 1263 E CA 0.468 56.861 56.400 -0.012 0.000 0.816 1263 E CB 0.113 29.807 29.700 -0.010 0.000 0.784 1263 E HN 0.220 nan 8.360 nan 0.000 0.456 1264 V N 5.553 125.455 119.914 -0.019 0.000 2.475 1264 V HA -0.024 4.096 4.120 -0.000 0.000 0.292 1264 V C -1.805 174.267 176.094 -0.036 0.000 1.003 1264 V CA -0.436 61.848 62.300 -0.027 0.000 1.120 1264 V CB -0.195 31.612 31.823 -0.027 0.000 0.937 1264 V HN 0.187 nan 8.190 nan 0.000 0.476 1265 P HA 0.344 nan 4.420 nan 0.000 0.276 1265 P C -0.493 176.753 177.300 -0.091 0.000 1.261 1265 P CA -0.469 62.597 63.100 -0.056 0.000 0.800 1265 P CB 1.195 32.868 31.700 -0.046 0.000 1.066 1266 I N 1.516 122.008 120.570 -0.130 0.000 2.331 1266 I HA 0.297 4.467 4.170 -0.000 0.000 0.292 1266 I C 0.971 176.907 176.117 -0.301 0.000 0.998 1266 I CA -0.549 60.605 61.300 -0.243 0.000 1.267 1266 I CB 0.780 38.596 38.000 -0.308 0.000 1.386 1266 I HN 0.153 nan 8.210 nan 0.000 0.476 1267 R N 5.674 125.988 120.500 -0.310 0.000 2.393 1267 R HA 0.572 4.911 4.340 -0.000 0.000 0.310 1267 R C -1.545 174.599 176.300 -0.259 0.000 0.968 1267 R CA -0.729 55.241 56.100 -0.217 0.000 0.867 1267 R CB 1.835 32.080 30.300 -0.093 0.000 1.124 1267 R HN 0.375 nan 8.270 nan 0.000 0.450 1268 Y N 0.895 121.199 120.300 0.007 0.000 2.499 1268 Y HA 0.431 4.981 4.550 -0.000 0.000 0.347 1268 Y C -0.020 175.886 175.900 0.009 0.000 0.987 1268 Y CA -1.186 56.919 58.100 0.008 0.000 1.044 1268 Y CB 1.940 40.405 38.460 0.008 0.000 1.245 1268 Y HN 0.350 nan 8.280 nan 0.000 0.461 1269 R N 3.889 124.511 120.500 0.204 0.000 2.451 1269 R HA 0.667 5.007 4.340 -0.000 0.000 0.307 1269 R C -1.941 174.400 176.300 0.070 0.000 0.965 1269 R CA -0.365 55.800 56.100 0.108 0.000 0.865 1269 R CB 0.570 30.916 30.300 0.078 0.000 1.174 1269 R HN 0.769 nan 8.270 nan 0.000 0.455 1270 I N 4.776 125.375 120.570 0.048 0.000 2.378 1270 I HA 0.398 4.568 4.170 -0.000 0.000 0.291 1270 I C -0.488 175.647 176.117 0.030 0.000 0.992 1270 I CA -0.899 60.412 61.300 0.017 0.000 1.154 1270 I CB 1.686 39.683 38.000 -0.004 0.000 1.315 1270 I HN 0.750 nan 8.210 nan 0.000 0.448 1271 N N 3.318 122.038 118.700 0.032 0.000 3.418 1271 N HA 0.183 4.923 4.740 -0.000 0.000 0.316 1271 N C 0.362 175.920 175.510 0.080 0.000 1.601 1271 N CA -0.846 52.244 53.050 0.066 0.000 0.805 1271 N CB 0.383 38.917 38.487 0.077 0.000 1.873 1271 N HN 0.426 nan 8.380 nan 0.000 0.615 1272 Y N -0.156 120.144 120.300 -0.000 0.000 2.256 1272 Y HA -0.072 4.478 4.550 -0.000 0.000 0.288 1272 Y C 1.225 177.123 175.900 -0.003 0.000 1.155 1272 Y CA 1.935 60.034 58.100 -0.002 0.000 1.203 1272 Y CB 0.073 38.533 38.460 -0.000 0.000 0.980 1272 Y HN 0.644 nan 8.280 nan 0.000 0.530 1273 E N -0.172 120.084 120.200 0.092 0.000 2.427 1273 E HA -0.064 4.286 4.350 -0.000 0.000 0.196 1273 E C 0.462 177.039 176.600 -0.039 0.000 1.028 1273 E CA 0.922 57.339 56.400 0.030 0.000 0.864 1273 E CB -0.121 29.625 29.700 0.076 0.000 0.813 1273 E HN 0.698 nan 8.360 nan 0.000 0.514 1274 N N -1.726 116.946 118.700 -0.047 0.000 2.390 1274 N HA 0.223 4.963 4.740 -0.000 0.000 0.259 1274 N C 0.385 175.851 175.510 -0.074 0.000 1.395 1274 N CA 0.346 53.363 53.050 -0.055 0.000 0.852 1274 N CB 0.081 38.551 38.487 -0.028 0.000 1.371 1274 N HN 0.012 nan 8.380 nan 0.000 0.491 1275 A N 0.161 122.921 122.820 -0.101 0.000 2.072 1275 A HA 0.251 4.571 4.320 -0.000 0.000 0.216 1275 A C 1.830 179.357 177.584 -0.096 0.000 1.156 1275 A CA 0.380 52.361 52.037 -0.093 0.000 0.701 1275 A CB -0.380 18.562 19.000 -0.097 0.000 0.816 1275 A HN 0.293 nan 8.150 nan 0.000 0.458 1276 L N -0.548 120.610 121.223 -0.109 0.000 2.191 1276 L HA -0.037 4.303 4.340 -0.000 0.000 0.212 1276 L C 0.873 177.699 176.870 -0.073 0.000 1.103 1276 L CA 0.069 54.856 54.840 -0.088 0.000 0.769 1276 L CB -0.387 41.618 42.059 -0.089 0.000 0.908 1276 L HN 0.400 nan 8.230 nan 0.000 0.438 1277 L N 0.901 122.078 121.223 -0.077 0.000 2.410 1277 L HA 0.319 4.659 4.340 -0.000 0.000 0.273 1277 L C 0.276 177.090 176.870 -0.093 0.000 1.152 1277 L CA -0.034 54.761 54.840 -0.075 0.000 0.855 1277 L CB 0.700 42.716 42.059 -0.073 0.000 1.129 1277 L HN -0.074 nan 8.230 nan 0.000 0.463 1278 A N 6.200 128.969 122.820 -0.085 0.000 2.274 1278 A HA 0.719 5.039 4.320 -0.000 0.000 0.309 1278 A C -0.422 177.080 177.584 -0.136 0.000 1.226 1278 A CA -0.811 51.167 52.037 -0.098 0.000 0.853 1278 A CB 0.315 19.280 19.000 -0.059 0.000 1.146 1278 A HN 0.657 nan 8.150 nan 0.000 0.518 1279 R N 2.247 122.613 120.500 -0.224 0.000 2.265 1279 R HA 0.509 4.849 4.340 -0.000 0.000 0.319 1279 R C -0.562 175.646 176.300 -0.153 0.000 1.006 1279 R CA -0.230 55.661 56.100 -0.348 0.000 0.880 1279 R CB 0.628 30.344 30.300 -0.973 0.000 1.077 1279 R HN 0.777 nan 8.270 nan 0.000 0.454 1280 T N -1.501 113.040 114.554 -0.021 0.000 2.863 1280 T HA 0.619 4.969 4.350 -0.000 0.000 0.285 1280 T C -0.133 174.648 174.700 0.135 0.000 1.009 1280 T CA -0.819 61.316 62.100 0.059 0.000 0.989 1280 T CB 1.907 70.802 68.868 0.045 0.000 1.004 1280 T HN 0.176 nan 8.240 nan 0.000 0.455 1281 V N 2.243 122.236 119.914 0.133 0.000 2.483 1281 V HA 0.451 4.571 4.120 -0.000 0.000 0.297 1281 V C -0.272 175.875 176.094 0.088 0.000 1.027 1281 V CA -0.843 61.529 62.300 0.121 0.000 0.855 1281 V CB 1.528 33.426 31.823 0.125 0.000 0.995 1281 V HN 0.962 nan 8.190 nan 0.000 0.424 1282 E N 2.037 122.281 120.200 0.074 0.000 2.156 1282 E HA 0.589 4.939 4.350 -0.000 0.000 0.279 1282 E C -0.439 176.195 176.600 0.056 0.000 0.965 1282 E CA -0.226 56.216 56.400 0.069 0.000 0.789 1282 E CB 2.145 31.882 29.700 0.061 0.000 1.098 1282 E HN 0.700 nan 8.360 nan 0.000 0.397 1283 T N 1.594 116.183 114.554 0.058 0.000 2.916 1283 T HA 0.320 4.670 4.350 -0.000 0.000 0.292 1283 T C 0.027 174.758 174.700 0.052 0.000 1.064 1283 T CA -0.656 61.471 62.100 0.045 0.000 1.011 1283 T CB 1.110 70.000 68.868 0.036 0.000 1.152 1283 T HN 0.346 nan 8.240 nan 0.000 0.510 1284 K N 1.940 122.365 120.400 0.041 0.000 2.440 1284 K HA 0.435 4.755 4.320 -0.000 0.000 0.206 1284 K C -0.574 176.049 176.600 0.039 0.000 1.025 1284 K CA -0.006 56.307 56.287 0.044 0.000 1.135 1284 K CB 0.225 32.746 32.500 0.035 0.000 0.856 1284 K HN 0.403 nan 8.250 nan 0.000 0.502 1285 L N 0.295 121.538 121.223 0.033 0.000 2.408 1285 L HA 0.300 4.640 4.340 -0.000 0.000 0.268 1285 L C -0.349 176.531 176.870 0.016 0.000 0.986 1285 L CA -0.993 53.860 54.840 0.022 0.000 0.820 1285 L CB 1.758 43.825 42.059 0.014 0.000 1.303 1285 L HN -0.105 nan 8.230 nan 0.000 0.411 1286 N N 2.453 121.156 118.700 0.006 0.000 3.298 1286 N HA 0.187 4.927 4.740 -0.000 0.000 0.292 1286 N C -0.830 174.671 175.510 -0.015 0.000 1.271 1286 N CA 0.039 53.083 53.050 -0.010 0.000 1.184 1286 N CB 0.150 38.620 38.487 -0.029 0.000 1.452 1286 N HN 0.562 nan 8.380 nan 0.000 0.534 1287 Q N -0.197 119.598 119.800 -0.008 0.000 2.378 1287 Q HA 0.338 4.678 4.340 -0.000 0.000 0.276 1287 Q C -0.884 175.110 176.000 -0.009 0.000 1.083 1287 Q CA -1.010 54.788 55.803 -0.009 0.000 0.856 1287 Q CB 1.185 29.920 28.738 -0.004 0.000 1.383 1287 Q HN 0.346 nan 8.270 nan 0.000 0.458 1288 D N 0.776 121.170 120.400 -0.010 0.000 2.478 1288 D HA 0.106 4.746 4.640 -0.000 0.000 0.234 1288 D C -0.754 175.543 176.300 -0.005 0.000 1.154 1288 D CA 0.915 54.910 54.000 -0.009 0.000 0.874 1288 D CB 0.380 41.175 40.800 -0.009 0.000 1.198 1288 D HN 0.229 nan 8.370 nan 0.000 0.455 1289 I N 1.120 121.687 120.570 -0.004 0.000 2.498 1289 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 1289 I C -0.223 175.894 176.117 0.001 0.000 1.032 1289 I CA -0.544 60.757 61.300 0.000 0.000 1.073 1289 I CB 2.064 40.066 38.000 0.005 0.000 1.251 1289 I HN 0.068 nan 8.210 nan 0.000 0.426 1290 T N 5.566 120.121 114.554 0.001 0.000 2.772 1290 T HA 0.493 4.843 4.350 -0.000 0.000 0.288 1290 T C -0.341 174.362 174.700 0.005 0.000 0.994 1290 T CA -0.452 61.648 62.100 0.001 0.000 0.951 1290 T CB 1.378 70.245 68.868 -0.002 0.000 0.933 1290 T HN 0.155 nan 8.240 nan 0.000 0.447 1291 V N 4.379 124.299 119.914 0.009 0.000 2.448 1291 V HA 0.659 4.779 4.120 -0.000 0.000 0.295 1291 V C 0.556 176.658 176.094 0.014 0.000 1.025 1291 V CA -0.840 61.470 62.300 0.016 0.000 0.859 1291 V CB 1.805 33.643 31.823 0.025 0.000 0.988 1291 V HN 1.061 nan 8.190 nan 0.000 0.431 1292 T N 1.362 115.925 114.554 0.015 0.000 2.950 1292 T HA 0.903 5.253 4.350 -0.000 0.000 0.288 1292 T C -0.423 174.291 174.700 0.023 0.000 1.035 1292 T CA -0.685 61.423 62.100 0.015 0.000 1.028 1292 T CB 2.160 71.033 68.868 0.009 0.000 1.109 1292 T HN 1.205 nan 8.240 nan 0.000 0.514 1293 A N 1.546 124.379 122.820 0.022 0.000 2.547 1293 A HA 0.648 4.968 4.320 -0.000 0.000 0.279 1293 A C -0.312 177.286 177.584 0.022 0.000 1.088 1293 A CA -0.831 51.222 52.037 0.027 0.000 0.796 1293 A CB 0.988 20.006 19.000 0.029 0.000 1.308 1293 A HN 0.787 nan 8.150 nan 0.000 0.415 1294 S N 0.907 116.620 115.700 0.023 0.000 2.525 1294 S HA 0.939 5.409 4.470 -0.000 0.000 0.290 1294 S C 0.621 175.234 174.600 0.022 0.000 1.152 1294 S CA 0.202 58.413 58.200 0.019 0.000 1.072 1294 S CB 1.562 64.771 63.200 0.016 0.000 1.027 1294 S HN 2.258 nan 8.310 nan 0.000 0.500 1295 G N 1.882 110.693 108.800 0.019 0.000 2.260 1295 G HA2 0.033 3.993 3.960 -0.000 0.000 0.250 1295 G HA3 0.033 3.993 3.960 -0.000 0.000 0.250 1295 G C -0.803 174.108 174.900 0.019 0.000 1.340 1295 G CA -0.308 44.804 45.100 0.021 0.000 1.056 1295 G HN 0.533 nan 8.290 nan 0.000 0.471 1296 D N -0.082 120.331 120.400 0.021 0.000 2.725 1296 D HA 0.245 4.885 4.640 -0.000 0.000 0.269 1296 D C 1.813 178.126 176.300 0.021 0.000 1.018 1296 D CA 1.200 55.212 54.000 0.020 0.000 0.956 1296 D CB -0.124 40.688 40.800 0.020 0.000 1.141 1296 D HN 0.649 nan 8.370 nan 0.000 0.478 1297 G N 0.510 109.326 108.800 0.026 0.000 2.489 1297 G HA2 0.340 4.300 3.960 -0.000 0.000 0.271 1297 G HA3 0.340 4.300 3.960 -0.000 0.000 0.271 1297 G C 0.071 174.984 174.900 0.022 0.000 1.427 1297 G CA -0.179 44.937 45.100 0.027 0.000 1.057 1297 G HN -0.043 nan 8.290 nan 0.000 0.532 1298 K N -1.366 119.046 120.400 0.020 0.000 2.400 1298 K HA 0.709 5.029 4.320 -0.000 0.000 0.246 1298 K C -0.892 175.714 176.600 0.010 0.000 0.995 1298 K CA -0.617 55.678 56.287 0.014 0.000 0.840 1298 K CB 2.485 34.993 32.500 0.013 0.000 1.293 1298 K HN 0.724 nan 8.250 nan 0.000 0.445 1299 A N 0.580 123.404 122.820 0.007 0.000 2.594 1299 A HA 0.491 4.811 4.320 -0.000 0.000 0.296 1299 A C -1.368 176.217 177.584 0.001 0.000 1.056 1299 A CA -0.727 51.311 52.037 0.001 0.000 0.693 1299 A CB 1.609 20.610 19.000 0.002 0.000 1.278 1299 A HN 0.488 nan 8.150 nan 0.000 0.408 1300 T N 2.281 116.833 114.554 -0.004 0.000 2.771 1300 T HA 0.572 4.922 4.350 -0.000 0.000 0.281 1300 T C -0.099 174.600 174.700 -0.003 0.000 0.982 1300 T CA -0.119 61.979 62.100 -0.003 0.000 0.978 1300 T CB 0.957 69.822 68.868 -0.005 0.000 0.930 1300 T HN 0.710 nan 8.240 nan 0.000 0.447 1301 M N 3.500 123.102 119.600 0.003 0.000 2.066 1301 M HA 0.368 4.848 4.480 -0.000 0.000 0.340 1301 M C -1.010 175.291 176.300 0.003 0.000 1.053 1301 M CA -0.330 54.974 55.300 0.007 0.000 0.983 1301 M CB 0.562 33.172 32.600 0.017 0.000 1.520 1301 M HN 0.426 nan 8.290 nan 0.000 0.428 1302 T N 6.754 121.309 114.554 0.002 0.000 2.733 1302 T HA 0.476 4.826 4.350 -0.000 0.000 0.294 1302 T C -0.038 174.659 174.700 -0.005 0.000 0.956 1302 T CA -0.324 61.773 62.100 -0.004 0.000 0.987 1302 T CB 0.260 69.126 68.868 -0.003 0.000 0.920 1302 T HN 0.594 nan 8.240 nan 0.000 0.470 1303 I N 5.031 125.591 120.570 -0.017 0.000 2.306 1303 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 1303 I C -0.352 175.725 176.117 -0.066 0.000 1.036 1303 I CA -0.584 60.702 61.300 -0.024 0.000 1.221 1303 I CB 0.736 38.725 38.000 -0.019 0.000 1.385 1303 I HN 0.376 nan 8.210 nan 0.000 0.472 1304 L N 6.612 127.780 121.223 -0.091 0.000 2.265 1304 L HA 0.434 4.774 4.340 -0.000 0.000 0.289 1304 L C -0.077 176.610 176.870 -0.306 0.000 1.033 1304 L CA -0.342 54.349 54.840 -0.248 0.000 0.814 1304 L CB 1.334 43.222 42.059 -0.285 0.000 1.203 1304 L HN 0.498 nan 8.230 nan 0.000 0.423 1305 T N 2.750 117.109 114.554 -0.325 0.000 2.758 1305 T HA 0.538 4.888 4.350 -0.000 0.000 0.285 1305 T C -0.496 174.068 174.700 -0.226 0.000 0.981 1305 T CA -0.297 61.693 62.100 -0.184 0.000 0.965 1305 T CB 0.514 69.337 68.868 -0.074 0.000 0.927 1305 T HN 0.067 nan 8.240 nan 0.000 0.448 1306 F N 3.970 124.002 119.950 0.137 0.000 2.427 1306 F HA 0.585 5.112 4.527 0.000 0.000 0.346 1306 F C 0.125 176.057 175.800 0.220 0.000 1.120 1306 F CA -1.063 57.023 58.000 0.144 0.000 1.033 1306 F CB 0.819 39.857 39.000 0.062 0.000 1.126 1306 F HN 0.638 nan 8.300 nan 0.000 0.462 1307 Y N -0.047 120.355 120.300 0.169 0.000 2.669 1307 Y HA 0.608 5.158 4.550 -0.000 0.000 0.335 1307 Y C -1.171 174.781 175.900 0.087 0.000 1.116 1307 Y CA -1.577 56.584 58.100 0.101 0.000 1.081 1307 Y CB 1.130 39.622 38.460 0.054 0.000 1.297 1307 Y HN 0.312 nan 8.280 nan 0.000 0.484 1308 N N 1.195 119.915 118.700 0.033 0.000 2.437 1308 N HA 0.599 5.339 4.740 -0.000 0.000 0.259 1308 N C -1.227 174.242 175.510 -0.068 0.000 0.983 1308 N CA -0.236 52.768 53.050 -0.077 0.000 0.937 1308 N CB 1.571 40.065 38.487 0.011 0.000 1.122 1308 N HN 0.884 nan 8.380 nan 0.000 0.499 1309 A N 2.337 125.026 122.820 -0.217 0.000 2.324 1309 A HA 0.416 4.736 4.320 -0.000 0.000 0.330 1309 A C 0.183 177.756 177.584 -0.018 0.000 1.165 1309 A CA -0.639 51.351 52.037 -0.078 0.000 0.813 1309 A CB 0.782 19.677 19.000 -0.175 0.000 1.197 1309 A HN 0.474 nan 8.150 nan 0.000 0.484 1310 Q N 0.667 120.486 119.800 0.032 0.000 2.395 1310 Q HA 0.249 4.589 4.340 -0.000 0.000 0.271 1310 Q C -0.152 175.856 176.000 0.013 0.000 1.026 1310 Q CA 0.338 56.155 55.803 0.023 0.000 0.900 1310 Q CB 0.784 29.543 28.738 0.034 0.000 1.266 1310 Q HN 0.709 nan 8.270 nan 0.000 0.430 1311 L N -0.229 120.999 121.223 0.009 0.000 2.334 1311 L HA 0.502 4.841 4.340 -0.000 0.000 0.270 1311 L C -0.412 176.466 176.870 0.014 0.000 1.018 1311 L CA -1.484 53.361 54.840 0.008 0.000 0.811 1311 L CB 1.094 43.156 42.059 0.004 0.000 1.271 1311 L HN 0.384 nan 8.230 nan 0.000 0.443 1312 Q N 0.436 120.244 119.800 0.013 0.000 2.263 1312 Q HA 0.035 4.375 4.340 -0.000 0.000 0.289 1312 Q C 0.291 176.301 176.000 0.017 0.000 1.061 1312 Q CA 0.080 55.892 55.803 0.015 0.000 0.927 1312 Q CB -0.047 28.699 28.738 0.014 0.000 1.154 1312 Q HN 0.483 nan 8.270 nan 0.000 0.378 1313 E N 1.600 121.811 120.200 0.018 0.000 2.492 1313 E HA -0.204 4.146 4.350 -0.000 0.000 0.207 1313 E C -0.075 176.539 176.600 0.023 0.000 1.112 1313 E CA 0.701 57.113 56.400 0.019 0.000 0.910 1313 E CB -0.306 29.405 29.700 0.018 0.000 0.852 1313 E HN 0.660 nan 8.360 nan 0.000 0.593 1314 K N 0.620 121.035 120.400 0.024 0.000 2.472 1314 K HA 0.169 4.489 4.320 -0.000 0.000 0.280 1314 K C 0.177 176.795 176.600 0.030 0.000 1.028 1314 K CA 0.183 56.488 56.287 0.030 0.000 1.045 1314 K CB 0.651 33.168 32.500 0.028 0.000 0.902 1314 K HN -0.090 nan 8.250 nan 0.000 0.478 1315 A N 4.349 127.191 122.820 0.036 0.000 3.804 1315 A HA 0.125 4.445 4.320 -0.000 0.000 0.174 1315 A C 0.991 178.604 177.584 0.048 0.000 1.510 1315 A CA -0.028 52.032 52.037 0.038 0.000 1.542 1315 A CB -0.256 18.767 19.000 0.039 0.000 1.611 1315 A HN 0.967 nan 8.150 nan 0.000 0.626 1316 N N 0.684 119.418 118.700 0.057 0.000 2.144 1316 N HA -0.186 4.554 4.740 -0.000 0.000 0.195 1316 N C 0.699 176.253 175.510 0.074 0.000 1.006 1316 N CA 1.626 54.717 53.050 0.067 0.000 0.880 1316 N CB -1.229 37.308 38.487 0.084 0.000 1.018 1316 N HN 1.131 nan 8.380 nan 0.000 0.443 1317 V N 0.334 120.294 119.914 0.076 0.000 3.742 1317 V HA -0.251 3.869 4.120 -0.000 0.000 0.309 1317 V C 0.284 176.439 176.094 0.103 0.000 1.513 1317 V CA -0.726 61.626 62.300 0.086 0.000 1.570 1317 V CB -1.945 29.921 31.823 0.071 0.000 1.101 1317 V HN 0.254 nan 8.190 nan 0.000 0.392 1318 c N 7.249 125.930 118.600 0.135 0.000 2.662 1318 c HA 0.125 4.695 4.570 -0.000 0.000 0.402 1318 c C 1.934 176.101 174.090 0.127 0.000 1.397 1318 c CA 0.279 56.706 56.329 0.163 0.000 1.575 1318 c CB -1.522 41.121 42.510 0.221 0.000 2.406 1318 c HN 1.006 nan 8.230 nan 0.000 0.609 1319 N N 1.976 120.736 118.700 0.100 0.000 2.333 1319 N HA -0.034 4.706 4.740 -0.000 0.000 0.178 1319 N C 1.630 177.118 175.510 -0.038 0.000 1.018 1319 N CA 0.953 54.022 53.050 0.033 0.000 0.882 1319 N CB 0.165 38.674 38.487 0.036 0.000 0.984 1319 N HN 0.710 nan 8.380 nan 0.000 0.434 1320 K N -1.029 119.383 120.400 0.021 0.000 2.370 1320 K HA 0.197 4.517 4.320 -0.000 0.000 0.194 1320 K C -0.214 176.137 176.600 -0.417 0.000 1.070 1320 K CA 0.254 56.441 56.287 -0.168 0.000 0.998 1320 K CB 0.909 33.437 32.500 0.046 0.000 0.911 1320 K HN -0.021 nan 8.250 nan 0.000 0.533 1321 F N 0.612 120.581 119.950 0.032 0.000 2.588 1321 F HA 0.350 4.877 4.527 -0.000 0.000 0.314 1321 F C 0.255 176.090 175.800 0.058 0.000 1.069 1321 F CA -1.200 56.836 58.000 0.061 0.000 0.931 1321 F CB 1.295 40.383 39.000 0.146 0.000 1.260 1321 F HN -0.113 nan 8.300 nan 0.000 0.465 1322 H N 1.895 121.105 119.070 0.234 0.000 2.467 1322 H HA 0.639 5.195 4.556 -0.000 0.000 0.331 1322 H C -1.130 174.297 175.328 0.165 0.000 1.120 1322 H CA -0.623 55.517 56.048 0.153 0.000 1.270 1322 H CB 1.881 31.700 29.762 0.095 0.000 1.466 1322 H HN 0.438 nan 8.280 nan 0.000 0.504 1323 L N 3.548 124.915 121.223 0.240 0.000 2.439 1323 L HA 0.372 4.712 4.340 -0.000 0.000 0.270 1323 L C -1.338 175.576 176.870 0.073 0.000 0.972 1323 L CA -0.487 54.435 54.840 0.137 0.000 0.836 1323 L CB 1.262 43.385 42.059 0.106 0.000 1.255 1323 L HN 0.515 nan 8.230 nan 0.000 0.404 1324 N N 3.930 122.658 118.700 0.046 0.000 2.407 1324 N HA 0.692 5.432 4.740 -0.000 0.000 0.277 1324 N C -1.425 174.083 175.510 -0.004 0.000 0.995 1324 N CA -0.419 52.641 53.050 0.016 0.000 0.903 1324 N CB 2.487 40.974 38.487 0.000 0.000 1.218 1324 N HN 0.292 nan 8.380 nan 0.000 0.487 1325 V N 1.377 121.287 119.914 -0.006 0.000 2.444 1325 V HA 0.646 4.766 4.120 -0.000 0.000 0.294 1325 V C -0.247 175.816 176.094 -0.053 0.000 1.022 1325 V CA -0.681 61.586 62.300 -0.056 0.000 0.850 1325 V CB 1.084 32.880 31.823 -0.045 0.000 0.992 1325 V HN 0.821 nan 8.190 nan 0.000 0.426 1326 S N 3.761 119.395 115.700 -0.111 0.000 2.677 1326 S HA 0.907 5.377 4.470 -0.000 0.000 0.304 1326 S C -0.829 173.668 174.600 -0.172 0.000 1.108 1326 S CA -0.941 57.204 58.200 -0.092 0.000 0.944 1326 S CB 2.364 65.520 63.200 -0.074 0.000 1.127 1326 S HN 0.862 nan 8.310 nan 0.000 0.511 1327 V N 0.427 120.266 119.914 -0.125 0.000 2.817 1327 V HA 0.643 4.763 4.120 -0.000 0.000 0.303 1327 V C -2.007 174.020 176.094 -0.113 0.000 1.151 1327 V CA -0.304 61.895 62.300 -0.168 0.000 0.929 1327 V CB 1.896 33.613 31.823 -0.177 0.000 1.030 1327 V HN 1.093 nan 8.190 nan 0.000 0.427 1328 E N 3.808 123.937 120.200 -0.118 0.000 2.314 1328 E HA 0.484 4.833 4.350 -0.000 0.000 0.272 1328 E C -1.231 175.327 176.600 -0.070 0.000 0.884 1328 E CA -0.826 55.526 56.400 -0.080 0.000 0.753 1328 E CB 1.899 31.557 29.700 -0.070 0.000 1.213 1328 E HN 0.829 nan 8.360 nan 0.000 0.432 1329 N N 2.004 120.677 118.700 -0.044 0.000 2.508 1329 N HA 0.396 5.136 4.740 -0.000 0.000 0.264 1329 N C -0.489 175.020 175.510 -0.002 0.000 1.216 1329 N CA -0.134 52.903 53.050 -0.021 0.000 0.943 1329 N CB 0.663 39.147 38.487 -0.006 0.000 1.113 1329 N HN 0.407 nan 8.380 nan 0.000 0.447 1330 I N -2.835 117.746 120.570 0.019 0.000 2.894 1330 I HA 0.450 4.620 4.170 -0.000 0.000 0.302 1330 I C -0.978 175.195 176.117 0.094 0.000 1.188 1330 I CA -1.164 60.163 61.300 0.044 0.000 1.014 1330 I CB 1.995 40.009 38.000 0.022 0.000 1.242 1330 I HN 0.417 nan 8.210 nan 0.000 0.430 1331 H N 5.484 124.551 119.070 -0.004 0.000 2.819 1331 H HA 0.557 5.113 4.556 -0.000 0.000 0.303 1331 H C -1.088 174.242 175.328 0.003 0.000 1.058 1331 H CA -0.092 55.956 56.048 -0.001 0.000 1.471 1331 H CB 0.741 30.502 29.762 -0.002 0.000 1.480 1331 H HN 0.600 nan 8.280 nan 0.000 0.517 1332 L N 5.891 126.955 121.223 -0.265 0.000 2.511 1332 L HA 0.169 4.509 4.340 -0.000 0.000 0.252 1332 L C -0.303 176.425 176.870 -0.237 0.000 1.542 1332 L CA -0.770 53.938 54.840 -0.220 0.000 0.822 1332 L CB 0.028 42.040 42.059 -0.079 0.000 1.050 1332 L HN 0.648 nan 8.230 nan 0.000 0.516 1340 A N -0.063 122.839 122.820 0.136 0.000 2.583 1340 A HA 0.796 5.116 4.320 -0.000 0.000 0.298 1340 A C -1.668 175.958 177.584 0.070 0.000 1.055 1340 A CA -0.519 51.606 52.037 0.147 0.000 0.714 1340 A CB 1.019 20.063 19.000 0.073 0.000 1.277 1340 A HN 1.450 nan 8.150 nan 0.000 0.406 1341 L N 1.058 122.292 121.223 0.019 0.000 2.327 1341 L HA 0.892 5.232 4.340 -0.000 0.000 0.258 1341 L C -0.255 176.546 176.870 -0.113 0.000 1.024 1341 L CA -0.684 54.108 54.840 -0.079 0.000 0.825 1341 L CB 1.880 43.831 42.059 -0.180 0.000 1.386 1341 L HN 0.803 nan 8.230 nan 0.000 0.417 1342 M N 2.058 121.579 119.600 -0.131 0.000 2.268 1342 M HA 0.621 5.101 4.480 -0.000 0.000 0.344 1342 M C -1.668 174.487 176.300 -0.242 0.000 1.106 1342 M CA -0.468 54.743 55.300 -0.148 0.000 1.010 1342 M CB 1.376 33.923 32.600 -0.088 0.000 1.649 1342 M HN 0.459 nan 8.290 nan 0.000 0.443 1343 L N 5.704 126.715 121.223 -0.353 0.000 2.294 1343 L HA 0.561 4.901 4.340 -0.000 0.000 0.283 1343 L C -1.155 175.517 176.870 -0.331 0.000 1.015 1343 L CA 0.112 54.662 54.840 -0.483 0.000 0.831 1343 L CB 0.699 42.273 42.059 -0.809 0.000 1.217 1343 L HN 0.709 nan 8.230 nan 0.000 0.420 1344 K N 6.182 126.439 120.400 -0.238 0.000 2.213 1344 K HA 0.610 4.930 4.320 -0.000 0.000 0.270 1344 K C -1.099 175.430 176.600 -0.119 0.000 1.002 1344 K CA -0.339 55.876 56.287 -0.120 0.000 0.868 1344 K CB 1.515 33.944 32.500 -0.119 0.000 1.093 1344 K HN 0.552 nan 8.250 nan 0.000 0.454 1345 I N 3.419 123.961 120.570 -0.047 0.000 2.411 1345 I HA 0.265 4.435 4.170 -0.000 0.000 0.284 1345 I C -0.696 175.430 176.117 0.015 0.000 1.012 1345 I CA -0.817 60.463 61.300 -0.033 0.000 1.119 1345 I CB 1.536 39.520 38.000 -0.026 0.000 1.261 1345 I HN 0.547 nan 8.210 nan 0.000 0.448 1346 c N 3.931 122.541 118.600 0.018 0.000 2.382 1346 c HA 0.800 5.370 4.570 -0.000 0.000 0.327 1346 c C 0.485 174.620 174.090 0.075 0.000 1.250 1346 c CA -0.274 56.083 56.329 0.045 0.000 1.707 1346 c CB 1.479 44.010 42.510 0.035 0.000 2.272 1346 c HN 0.791 nan 8.230 nan 0.000 0.506 1347 T N 2.871 117.488 114.554 0.105 0.000 2.923 1347 T HA 0.699 5.049 4.350 -0.000 0.000 0.311 1347 T C -1.466 173.365 174.700 0.218 0.000 1.183 1347 T CA -0.547 61.654 62.100 0.168 0.000 1.020 1347 T CB 1.197 70.142 68.868 0.129 0.000 1.165 1347 T HN 0.896 nan 8.240 nan 0.000 0.482 1348 R N 2.929 123.610 120.500 0.302 0.000 2.535 1348 R HA 0.394 4.734 4.340 -0.000 0.000 0.274 1348 R C -1.927 174.534 176.300 0.269 0.000 1.090 1348 R CA -0.747 55.512 56.100 0.266 0.000 0.930 1348 R CB 1.138 31.538 30.300 0.166 0.000 1.223 1348 R HN 0.684 nan 8.270 nan 0.000 0.441 1349 Y N 4.687 125.022 120.300 0.058 0.000 2.526 1349 Y HA 0.122 4.672 4.550 -0.000 0.000 0.330 1349 Y C 0.321 176.089 175.900 -0.220 0.000 1.156 1349 Y CA 0.187 58.098 58.100 -0.314 0.000 1.419 1349 Y CB 0.787 39.110 38.460 -0.229 0.000 1.250 1349 Y HN 0.679 nan 8.280 nan 0.000 0.540 1350 L N 6.182 126.935 121.223 -0.783 0.000 2.627 1350 L HA 0.200 4.540 4.340 -0.000 0.000 0.232 1350 L C 1.332 177.805 176.870 -0.663 0.000 1.150 1350 L CA 0.180 54.666 54.840 -0.590 0.000 0.917 1350 L CB -0.781 40.964 42.059 -0.523 0.000 1.104 1350 L HN 0.825 nan 8.230 nan 0.000 0.445 1351 G N -0.963 107.177 108.800 -1.101 0.000 2.510 1351 G HA2 0.121 4.081 3.960 -0.000 0.000 0.280 1351 G HA3 0.121 4.081 3.960 -0.000 0.000 0.280 1351 G C 0.595 175.302 174.900 -0.320 0.000 1.386 1351 G CA -0.281 44.365 45.100 -0.756 0.000 1.047 1351 G HN 0.013 nan 8.290 nan 0.000 0.527 1352 E N -1.424 118.635 120.200 -0.234 0.000 2.230 1352 E HA 0.035 4.385 4.350 -0.000 0.000 0.192 1352 E C 1.191 177.446 176.600 -0.576 0.000 0.987 1352 E CA 0.562 56.789 56.400 -0.288 0.000 0.841 1352 E CB 0.150 29.750 29.700 -0.168 0.000 0.783 1352 E HN 0.353 nan 8.360 nan 0.000 0.481 1353 V N -0.997 118.707 119.914 -0.350 0.000 3.130 1353 V HA 0.435 4.555 4.120 -0.000 0.000 0.310 1353 V C -0.820 175.288 176.094 0.022 0.000 1.158 1353 V CA -1.270 60.836 62.300 -0.323 0.000 1.029 1353 V CB 2.032 33.777 31.823 -0.130 0.000 1.057 1353 V HN -0.270 nan 8.190 nan 0.000 0.436 1354 D N 2.640 123.125 120.400 0.141 0.000 2.506 1354 D HA 0.277 4.917 4.640 -0.000 0.000 0.234 1354 D C 0.542 176.821 176.300 -0.036 0.000 1.143 1354 D CA 1.044 55.142 54.000 0.163 0.000 0.871 1354 D CB 0.709 41.593 40.800 0.141 0.000 1.190 1354 D HN 1.045 nan 8.370 nan 0.000 0.459 1355 S N 0.490 116.067 115.700 -0.206 0.000 2.438 1355 S HA 0.410 4.880 4.470 -0.000 0.000 0.293 1355 S C 0.024 174.548 174.600 -0.126 0.000 1.141 1355 S CA -0.961 56.951 58.200 -0.480 0.000 1.080 1355 S CB 0.671 63.178 63.200 -1.156 0.000 0.978 1355 S HN 0.290 nan 8.310 nan 0.000 0.479 1356 T N 5.004 119.547 114.554 -0.017 0.000 2.926 1356 T HA 0.215 4.565 4.350 -0.000 0.000 0.307 1356 T C 0.578 175.341 174.700 0.106 0.000 1.059 1356 T CA -0.627 61.525 62.100 0.087 0.000 1.122 1356 T CB -0.090 68.896 68.868 0.196 0.000 0.972 1356 T HN 0.778 nan 8.240 nan 0.000 0.545 1357 M N 1.661 121.302 119.600 0.068 0.000 3.963 1357 M HA -0.151 4.328 4.480 -0.000 0.000 0.157 1357 M C -0.011 176.335 176.300 0.077 0.000 1.521 1357 M CA 0.793 56.131 55.300 0.064 0.000 1.072 1357 M CB -2.576 30.047 32.600 0.038 0.000 1.341 1357 M HN 0.769 nan 8.290 nan 0.000 0.277 1358 T N 4.335 118.912 114.554 0.038 0.000 2.925 1358 T HA 0.879 5.229 4.350 -0.000 0.000 0.285 1358 T C 0.487 175.094 174.700 -0.154 0.000 1.021 1358 T CA -0.648 61.431 62.100 -0.035 0.000 1.042 1358 T CB 2.060 70.928 68.868 0.001 0.000 1.037 1358 T HN 0.521 nan 8.240 nan 0.000 0.481 1359 I N 2.238 122.569 120.570 -0.398 0.000 2.466 1359 I HA 0.441 4.611 4.170 -0.000 0.000 0.289 1359 I C -0.766 174.973 176.117 -0.631 0.000 1.026 1359 I CA -0.716 60.235 61.300 -0.581 0.000 1.078 1359 I CB 1.812 39.310 38.000 -0.836 0.000 1.249 1359 I HN 0.458 nan 8.210 nan 0.000 0.429 1360 I N 5.067 125.370 120.570 -0.446 0.000 2.371 1360 I HA 0.226 4.396 4.170 -0.000 0.000 0.282 1360 I C -0.511 175.468 176.117 -0.231 0.000 1.031 1360 I CA -0.404 60.716 61.300 -0.299 0.000 1.180 1360 I CB 0.899 38.786 38.000 -0.189 0.000 1.336 1360 I HN 0.460 nan 8.210 nan 0.000 0.467 1361 D N 7.633 127.946 120.400 -0.145 0.000 2.277 1361 D HA 0.486 5.126 4.640 -0.000 0.000 0.249 1361 D C -0.584 175.716 176.300 0.000 0.000 1.134 1361 D CA 0.082 54.058 54.000 -0.040 0.000 0.863 1361 D CB 1.188 42.056 40.800 0.112 0.000 1.143 1361 D HN 0.329 nan 8.370 nan 0.000 0.458 1362 I N 2.173 122.758 120.570 0.025 0.000 2.499 1362 I HA 0.171 4.341 4.170 -0.000 0.000 0.288 1362 I C -0.035 176.147 176.117 0.107 0.000 1.048 1362 I CA -0.772 60.579 61.300 0.085 0.000 1.062 1362 I CB 2.038 40.120 38.000 0.136 0.000 1.238 1362 I HN 0.264 nan 8.210 nan 0.000 0.426 1363 S N 6.523 122.297 115.700 0.123 0.000 2.537 1363 S HA 0.687 5.157 4.470 -0.000 0.000 0.301 1363 S C -0.440 174.251 174.600 0.152 0.000 1.092 1363 S CA -0.953 57.316 58.200 0.114 0.000 1.048 1363 S CB 1.912 65.157 63.200 0.075 0.000 1.053 1363 S HN 0.391 nan 8.310 nan 0.000 0.501 1364 M N 2.482 122.166 119.600 0.140 0.000 2.288 1364 M HA 0.392 4.872 4.480 -0.000 0.000 0.334 1364 M C -0.090 176.258 176.300 0.079 0.000 1.150 1364 M CA -0.658 54.733 55.300 0.152 0.000 1.118 1364 M CB 0.515 33.218 32.600 0.171 0.000 1.501 1364 M HN 0.728 nan 8.290 nan 0.000 0.462 1365 L N 1.176 122.412 121.223 0.021 0.000 2.492 1365 L HA 0.055 4.395 4.340 -0.000 0.000 0.280 1365 L C 0.789 177.742 176.870 0.139 0.000 1.240 1365 L CA -0.010 54.807 54.840 -0.038 0.000 0.831 1365 L CB -0.282 41.622 42.059 -0.258 0.000 1.100 1365 L HN 0.666 nan 8.230 nan 0.000 0.505 1366 T N 1.627 116.230 114.554 0.081 0.000 2.866 1366 T HA 0.168 4.518 4.350 -0.000 0.000 0.293 1366 T C 1.152 175.758 174.700 -0.156 0.000 1.005 1366 T CA 0.784 62.910 62.100 0.043 0.000 1.162 1366 T CB 0.423 69.313 68.868 0.036 0.000 0.968 1366 T HN 1.029 nan 8.240 nan 0.000 0.530 1367 G N 2.149 110.601 108.800 -0.580 0.000 2.155 1367 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.257 1367 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.257 1367 G C -0.014 174.401 174.900 -0.808 0.000 0.983 1367 G CA -0.203 43.931 45.100 -1.611 0.000 0.676 1367 G HN 0.626 nan 8.290 nan 0.000 0.528 1368 F N -0.410 119.374 119.950 -0.276 0.000 2.458 1368 F HA 0.820 5.347 4.527 -0.000 0.000 0.330 1368 F C 0.696 176.476 175.800 -0.033 0.000 1.082 1368 F CA -0.921 57.006 58.000 -0.122 0.000 0.995 1368 F CB 1.583 40.528 39.000 -0.091 0.000 1.170 1368 F HN -0.027 nan 8.300 nan 0.000 0.478 1369 L N 2.483 123.801 121.223 0.157 0.000 2.376 1369 L HA 0.532 4.872 4.340 -0.000 0.000 0.258 1369 L C -2.716 174.213 176.870 0.098 0.000 1.013 1369 L CA -2.398 52.494 54.840 0.087 0.000 0.822 1369 L CB 2.591 44.632 42.059 -0.030 0.000 1.388 1369 L HN 0.290 nan 8.230 nan 0.000 0.413 1370 P HA 0.046 nan 4.420 nan 0.000 0.276 1370 P C -1.067 176.247 177.300 0.023 0.000 1.235 1370 P CA -0.250 62.934 63.100 0.139 0.000 0.772 1370 P CB 0.440 32.185 31.700 0.076 0.000 0.871 1371 D N 2.862 123.310 120.400 0.081 0.000 2.451 1371 D HA 0.019 4.659 4.640 -0.000 0.000 0.254 1371 D C 1.309 177.576 176.300 -0.056 0.000 1.204 1371 D CA 0.306 54.317 54.000 0.018 0.000 0.896 1371 D CB 0.695 41.526 40.800 0.051 0.000 1.136 1371 D HN 0.311 nan 8.370 nan 0.000 0.499 1372 A N 4.702 127.465 122.820 -0.096 0.000 1.859 1372 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 1372 A C 1.996 179.535 177.584 -0.075 0.000 1.209 1372 A CA 2.099 54.053 52.037 -0.138 0.000 0.639 1372 A CB -0.821 18.130 19.000 -0.082 0.000 0.835 1372 A HN 0.801 nan 8.150 nan 0.000 0.450 1373 E N -0.711 119.471 120.200 -0.030 0.000 2.070 1373 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 1373 E C 1.579 178.169 176.600 -0.017 0.000 1.004 1373 E CA 1.623 58.017 56.400 -0.011 0.000 0.805 1373 E CB -0.209 29.489 29.700 -0.003 0.000 0.744 1373 E HN 0.533 nan 8.360 nan 0.000 0.451 1374 D N -0.136 120.256 120.400 -0.013 0.000 2.182 1374 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 1374 D C 1.781 178.040 176.300 -0.069 0.000 0.986 1374 D CA 0.548 54.543 54.000 -0.007 0.000 0.847 1374 D CB -0.080 40.760 40.800 0.066 0.000 0.942 1374 D HN 0.161 nan 8.370 nan 0.000 0.467 1375 L N 0.241 121.389 121.223 -0.125 0.000 2.095 1375 L HA -0.046 4.294 4.340 -0.000 0.000 0.204 1375 L C 2.186 179.021 176.870 -0.058 0.000 1.080 1375 L CA 1.512 56.215 54.840 -0.227 0.000 0.759 1375 L CB -0.866 40.962 42.059 -0.386 0.000 0.914 1375 L HN -0.055 nan 8.230 nan 0.000 0.439 1376 T N -0.634 113.939 114.554 0.031 0.000 2.803 1376 T HA -0.239 4.111 4.350 -0.000 0.000 0.269 1376 T C 2.012 176.716 174.700 0.006 0.000 1.052 1376 T CA 1.537 63.688 62.100 0.085 0.000 1.136 1376 T CB -0.280 68.636 68.868 0.079 0.000 0.864 1376 T HN 0.294 nan 8.240 nan 0.000 0.467 1377 R N 0.329 120.816 120.500 -0.022 0.000 2.148 1377 R HA 0.125 4.465 4.340 -0.000 0.000 0.223 1377 R C 2.264 178.531 176.300 -0.055 0.000 1.088 1377 R CA 0.627 56.707 56.100 -0.034 0.000 0.985 1377 R CB -0.238 30.040 30.300 -0.036 0.000 0.880 1377 R HN 0.377 nan 8.270 nan 0.000 0.451 1378 L N 0.373 121.545 121.223 -0.085 0.000 2.072 1378 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 1378 L C 2.519 179.341 176.870 -0.079 0.000 1.079 1378 L CA 1.512 56.286 54.840 -0.109 0.000 0.752 1378 L CB -0.321 41.619 42.059 -0.198 0.000 0.906 1378 L HN 0.332 nan 8.230 nan 0.000 0.436 1379 S N -0.949 114.711 115.700 -0.066 0.000 2.399 1379 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 1379 S C 1.031 175.605 174.600 -0.043 0.000 1.022 1379 S CA 0.419 58.581 58.200 -0.065 0.000 0.983 1379 S CB -0.285 62.863 63.200 -0.086 0.000 0.803 1379 S HN 0.114 nan 8.310 nan 0.000 0.480 1380 K N 2.733 123.113 120.400 -0.034 0.000 2.472 1380 K HA 0.471 4.791 4.320 -0.000 0.000 0.280 1380 K C 0.461 177.053 176.600 -0.013 0.000 1.028 1380 K CA 1.044 57.318 56.287 -0.021 0.000 1.045 1380 K CB -0.026 32.463 32.500 -0.019 0.000 0.902 1380 K HN 0.606 nan 8.250 nan 0.000 0.478 1381 G N 0.178 108.976 108.800 -0.003 0.000 2.343 1381 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.298 1381 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.298 1381 G C 0.166 175.074 174.900 0.014 0.000 1.644 1381 G CA -0.861 44.242 45.100 0.005 0.000 0.958 1381 G HN 0.150 nan 8.290 nan 0.000 0.702 1382 V N 0.219 120.141 119.914 0.013 0.000 3.217 1382 V HA 0.054 4.174 4.120 -0.000 0.000 0.264 1382 V C 1.863 177.970 176.094 0.020 0.000 1.135 1382 V CA 2.216 64.524 62.300 0.014 0.000 1.142 1382 V CB -0.246 31.582 31.823 0.008 0.000 0.754 1382 V HN 0.832 nan 8.190 nan 0.000 0.484 1383 D N -1.050 119.365 120.400 0.025 0.000 2.363 1383 D HA 0.139 4.779 4.640 -0.000 0.000 0.214 1383 D C 0.815 177.144 176.300 0.048 0.000 1.093 1383 D CA -0.059 53.959 54.000 0.030 0.000 0.837 1383 D CB 0.283 41.098 40.800 0.025 0.000 0.948 1383 D HN 0.340 nan 8.370 nan 0.000 0.507 1384 R N -1.140 119.397 120.500 0.062 0.000 2.905 1384 R HA 0.647 4.987 4.340 -0.000 0.000 0.260 1384 R C -1.750 174.660 176.300 0.182 0.000 1.086 1384 R CA -1.057 55.099 56.100 0.094 0.000 0.978 1384 R CB 1.804 32.132 30.300 0.046 0.000 1.215 1384 R HN 0.070 nan 8.270 nan 0.000 0.480 1385 Y N 0.521 120.855 120.300 0.057 0.000 2.521 1385 Y HA 0.513 5.063 4.550 -0.000 0.000 0.332 1385 Y C -1.818 174.174 175.900 0.154 0.000 1.121 1385 Y CA -0.719 57.419 58.100 0.064 0.000 1.037 1385 Y CB 1.504 39.974 38.460 0.017 0.000 1.330 1385 Y HN 0.424 nan 8.280 nan 0.000 0.452 1386 I N 4.373 124.546 120.570 -0.662 0.000 2.534 1386 I HA 0.248 4.418 4.170 -0.000 0.000 0.288 1386 I C -0.180 175.434 176.117 -0.838 0.000 1.077 1386 I CA -0.918 60.103 61.300 -0.465 0.000 1.051 1386 I CB 2.147 40.022 38.000 -0.209 0.000 1.234 1386 I HN 0.599 nan 8.210 nan 0.000 0.425 1387 S N 4.724 120.164 115.700 -0.433 0.000 2.566 1387 S HA 0.121 4.591 4.470 -0.000 0.000 0.280 1387 S C 0.408 174.849 174.600 -0.264 0.000 1.343 1387 S CA -0.365 57.675 58.200 -0.266 0.000 1.036 1387 S CB 0.409 63.646 63.200 0.062 0.000 0.866 1387 S HN 0.667 nan 8.310 nan 0.000 0.526 1388 R N 2.062 122.434 120.500 -0.213 0.000 2.640 1388 R HA 0.193 4.533 4.340 -0.000 0.000 0.270 1388 R C -0.931 175.271 176.300 -0.164 0.000 1.024 1388 R CA 0.039 55.972 56.100 -0.280 0.000 1.085 1388 R CB -0.144 30.064 30.300 -0.153 0.000 0.963 1388 R HN 0.568 nan 8.270 nan 0.000 0.426 1389 Y N -1.162 119.104 120.300 -0.057 0.000 2.477 1389 Y HA 0.512 5.062 4.550 -0.000 0.000 0.347 1389 Y C -0.681 175.198 175.900 -0.035 0.000 0.981 1389 Y CA -1.897 56.178 58.100 -0.042 0.000 1.033 1389 Y CB 1.082 39.510 38.460 -0.055 0.000 1.245 1389 Y HN 0.484 nan 8.280 nan 0.000 0.455 1390 E N 1.471 121.798 120.200 0.212 0.000 2.342 1390 E HA 0.568 4.918 4.350 -0.000 0.000 0.257 1390 E C -0.947 175.731 176.600 0.130 0.000 1.150 1390 E CA -0.588 55.892 56.400 0.135 0.000 0.926 1390 E CB 2.179 31.920 29.700 0.069 0.000 1.074 1390 E HN 0.550 nan 8.360 nan 0.000 0.449 1391 V N 1.170 121.131 119.914 0.077 0.000 2.709 1391 V HA 0.348 4.468 4.120 -0.000 0.000 0.308 1391 V C -0.762 175.337 176.094 0.007 0.000 1.062 1391 V CA -0.811 61.507 62.300 0.029 0.000 0.901 1391 V CB 2.233 34.083 31.823 0.046 0.000 1.003 1391 V HN 0.594 nan 8.190 nan 0.000 0.425 1392 D N 1.851 122.239 120.400 -0.021 0.000 2.753 1392 D HA 0.403 5.042 4.640 -0.000 0.000 0.224 1392 D C -0.066 176.223 176.300 -0.018 0.000 1.213 1392 D CA -0.459 53.536 54.000 -0.009 0.000 0.833 1392 D CB 1.479 42.281 40.800 0.002 0.000 1.607 1392 D HN 0.648 nan 8.370 nan 0.000 0.463 1393 N N 2.397 121.099 118.700 0.004 0.000 2.707 1393 N HA -0.319 4.421 4.740 -0.000 0.000 0.253 1393 N C -0.471 175.034 175.510 -0.009 0.000 0.998 1393 N CA 0.604 53.658 53.050 0.008 0.000 0.751 1393 N CB -0.859 37.648 38.487 0.034 0.000 0.920 1393 N HN 0.579 nan 8.380 nan 0.000 0.539 1394 N N -1.032 117.659 118.700 -0.014 0.000 2.708 1394 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 1394 N C -1.260 174.223 175.510 -0.045 0.000 1.097 1394 N CA 1.582 54.618 53.050 -0.022 0.000 0.710 1394 N CB -0.584 37.896 38.487 -0.012 0.000 1.032 1394 N HN 0.599 nan 8.380 nan 0.000 0.551 1395 M N -0.035 119.522 119.600 -0.072 0.000 2.327 1395 M HA 0.528 5.008 4.480 -0.000 0.000 0.298 1395 M C -0.041 176.167 176.300 -0.153 0.000 1.065 1395 M CA -0.651 54.582 55.300 -0.112 0.000 0.916 1395 M CB 2.101 34.617 32.600 -0.140 0.000 1.630 1395 M HN 0.166 nan 8.290 nan 0.000 0.442 1396 A N 2.652 125.340 122.820 -0.220 0.000 2.451 1396 A HA 0.229 4.549 4.320 -0.000 0.000 0.266 1396 A C 0.276 177.756 177.584 -0.174 0.000 1.119 1396 A CA -0.274 51.574 52.037 -0.316 0.000 0.786 1396 A CB 0.202 18.803 19.000 -0.665 0.000 1.061 1396 A HN 0.753 nan 8.150 nan 0.000 0.503 1397 Q N 2.139 121.885 119.800 -0.090 0.000 2.903 1397 Q HA 0.097 4.437 4.340 -0.000 0.000 0.295 1397 Q C -0.559 175.447 176.000 0.009 0.000 1.157 1397 Q CA 0.586 56.362 55.803 -0.045 0.000 0.930 1397 Q CB -0.179 28.551 28.738 -0.014 0.000 1.571 1397 Q HN 0.419 nan 8.270 nan 0.000 0.440 1398 K N 0.509 120.908 120.400 -0.002 0.000 2.507 1398 K HA 0.264 4.584 4.320 -0.000 0.000 0.252 1398 K C 0.563 177.198 176.600 0.059 0.000 0.943 1398 K CA -0.471 55.840 56.287 0.041 0.000 0.808 1398 K CB 2.380 34.907 32.500 0.045 0.000 1.142 1398 K HN -0.116 nan 8.250 nan 0.000 0.426 1399 V N 0.944 120.911 119.914 0.089 0.000 2.649 1399 V HA 0.016 4.136 4.120 -0.000 0.000 0.248 1399 V C 0.736 176.894 176.094 0.107 0.000 1.054 1399 V CA 1.081 63.449 62.300 0.114 0.000 1.073 1399 V CB 0.128 32.034 31.823 0.138 0.000 0.699 1399 V HN 0.727 nan 8.190 nan 0.000 0.463 1400 A N 0.296 123.172 122.820 0.092 0.000 2.249 1400 A HA 0.641 4.961 4.320 -0.000 0.000 0.314 1400 A C -0.755 176.870 177.584 0.069 0.000 1.290 1400 A CA -0.216 51.871 52.037 0.084 0.000 0.893 1400 A CB 0.925 19.973 19.000 0.081 0.000 1.165 1400 A HN 0.098 nan 8.150 nan 0.000 0.530 1401 V N 5.334 125.283 119.914 0.057 0.000 2.349 1401 V HA 0.295 4.415 4.120 -0.000 0.000 0.284 1401 V C -0.461 175.610 176.094 -0.039 0.000 1.014 1401 V CA -0.448 61.862 62.300 0.017 0.000 0.826 1401 V CB 0.976 32.803 31.823 0.006 0.000 1.009 1401 V HN 0.714 nan 8.190 nan 0.000 0.431 1402 I N 5.882 126.404 120.570 -0.079 0.000 2.353 1402 I HA 0.504 4.674 4.170 -0.000 0.000 0.293 1402 I C -0.139 175.748 176.117 -0.383 0.000 0.992 1402 I CA -0.399 60.734 61.300 -0.278 0.000 1.268 1402 I CB 1.523 39.304 38.000 -0.364 0.000 1.387 1402 I HN 0.422 nan 8.210 nan 0.000 0.478 1403 I N 6.715 127.020 120.570 -0.442 0.000 2.382 1403 I HA 0.277 4.447 4.170 -0.000 0.000 0.286 1403 I C -0.984 174.907 176.117 -0.377 0.000 1.002 1403 I CA -0.707 60.412 61.300 -0.303 0.000 1.135 1403 I CB 1.039 38.929 38.000 -0.183 0.000 1.288 1403 I HN 0.364 nan 8.210 nan 0.000 0.448 1404 Y N 6.419 126.721 120.300 0.004 0.000 2.404 1404 Y HA 0.429 4.979 4.550 -0.000 0.000 0.344 1404 Y C -0.249 175.660 175.900 0.015 0.000 0.970 1404 Y CA -0.977 57.132 58.100 0.015 0.000 1.180 1404 Y CB 0.680 39.194 38.460 0.091 0.000 1.138 1404 Y HN 0.334 nan 8.280 nan 0.000 0.510 1405 L N 3.007 124.277 121.223 0.078 0.000 2.334 1405 L HA 0.308 4.648 4.340 -0.000 0.000 0.277 1405 L C 0.987 177.895 176.870 0.062 0.000 1.075 1405 L CA -0.172 54.701 54.840 0.056 0.000 0.804 1405 L CB 0.931 43.001 42.059 0.017 0.000 1.174 1405 L HN 0.577 nan 8.230 nan 0.000 0.438 1406 N N 1.398 120.130 118.700 0.053 0.000 2.331 1406 N HA -0.057 4.683 4.740 -0.000 0.000 0.180 1406 N C -0.029 175.503 175.510 0.037 0.000 1.019 1406 N CA 0.737 53.810 53.050 0.038 0.000 0.881 1406 N CB 0.129 38.632 38.487 0.027 0.000 0.972 1406 N HN 0.675 nan 8.380 nan 0.000 0.435 1407 K N -2.244 118.181 120.400 0.042 0.000 2.617 1407 K HA 0.522 4.842 4.320 -0.000 0.000 0.293 1407 K C -1.759 174.880 176.600 0.065 0.000 1.034 1407 K CA -0.830 55.485 56.287 0.046 0.000 0.884 1407 K CB 1.444 33.970 32.500 0.042 0.000 1.541 1407 K HN -0.281 nan 8.250 nan 0.000 0.409 1408 V N 0.683 120.650 119.914 0.088 0.000 2.777 1408 V HA 0.295 4.415 4.120 -0.000 0.000 0.306 1408 V C -0.427 175.766 176.094 0.166 0.000 1.112 1408 V CA -0.790 61.594 62.300 0.140 0.000 0.917 1408 V CB 1.947 33.908 31.823 0.229 0.000 1.018 1408 V HN 0.905 nan 8.190 nan 0.000 0.426 1409 S N 2.294 118.083 115.700 0.148 0.000 2.580 1409 S HA 0.145 4.615 4.470 -0.000 0.000 0.266 1409 S C 0.982 175.703 174.600 0.201 0.000 1.354 1409 S CA 0.286 58.568 58.200 0.137 0.000 1.008 1409 S CB 0.220 63.451 63.200 0.051 0.000 0.898 1409 S HN 1.034 nan 8.310 nan 0.000 0.555 1410 H N 0.452 119.588 119.070 0.112 0.000 2.893 1410 H HA 0.304 4.860 4.556 -0.000 0.000 0.270 1410 H C 1.074 176.422 175.328 0.033 0.000 1.095 1410 H CA 0.574 56.672 56.048 0.084 0.000 1.186 1410 H CB -0.256 29.561 29.762 0.092 0.000 1.562 1410 H HN 0.504 nan 8.280 nan 0.000 0.536 1411 S N 0.185 115.599 115.700 -0.477 0.000 2.738 1411 S HA 0.033 4.503 4.470 -0.000 0.000 0.216 1411 S C 0.860 175.382 174.600 -0.130 0.000 0.968 1411 S CA -0.220 57.762 58.200 -0.363 0.000 0.879 1411 S CB 0.481 63.418 63.200 -0.438 0.000 0.837 1411 S HN 0.393 nan 8.310 nan 0.000 0.622 1412 E N 1.871 122.014 120.200 -0.093 0.000 2.266 1412 E HA 0.275 4.625 4.350 -0.000 0.000 0.277 1412 E C -1.426 175.184 176.600 0.017 0.000 1.018 1412 E CA -0.611 55.774 56.400 -0.025 0.000 0.840 1412 E CB 0.597 30.286 29.700 -0.019 0.000 1.082 1412 E HN 0.251 nan 8.360 nan 0.000 0.395 1413 D N 2.751 123.174 120.400 0.038 0.000 2.382 1413 D HA 0.064 4.704 4.640 -0.000 0.000 0.240 1413 D C -0.626 175.711 176.300 0.063 0.000 1.146 1413 D CA 0.567 54.606 54.000 0.066 0.000 0.897 1413 D CB 0.652 41.491 40.800 0.065 0.000 1.197 1413 D HN 0.317 nan 8.370 nan 0.000 0.432 1414 E N 0.897 121.145 120.200 0.080 0.000 2.207 1414 E HA 0.289 4.639 4.350 -0.000 0.000 0.250 1414 E C -1.018 175.625 176.600 0.071 0.000 0.890 1414 E CA -0.567 55.876 56.400 0.072 0.000 0.749 1414 E CB 0.848 30.595 29.700 0.078 0.000 1.193 1414 E HN 0.388 nan 8.360 nan 0.000 0.423 1415 c N 3.574 122.216 118.600 0.069 0.000 2.350 1415 c HA 0.637 5.207 4.570 -0.000 0.000 0.348 1415 c C -0.214 173.942 174.090 0.110 0.000 1.260 1415 c CA -0.777 55.599 56.329 0.079 0.000 1.966 1415 c CB -0.673 41.878 42.510 0.068 0.000 2.380 1415 c HN 0.625 nan 8.230 nan 0.000 0.535 1416 L N 2.212 123.508 121.223 0.122 0.000 2.424 1416 L HA 0.949 5.289 4.340 -0.000 0.000 0.258 1416 L C -0.706 176.287 176.870 0.205 0.000 0.995 1416 L CA -0.497 54.423 54.840 0.132 0.000 0.821 1416 L CB 1.464 43.561 42.059 0.065 0.000 1.383 1416 L HN 0.928 nan 8.230 nan 0.000 0.410 1417 H N 0.299 119.436 119.070 0.112 0.000 3.046 1417 H HA 0.876 5.432 4.556 -0.000 0.000 0.361 1417 H C -1.478 173.996 175.328 0.244 0.000 1.235 1417 H CA -0.912 55.186 56.048 0.083 0.000 1.146 1417 H CB 1.616 31.363 29.762 -0.024 0.000 1.859 1417 H HN 0.851 nan 8.280 nan 0.000 0.548 1418 F N -1.498 118.436 119.950 -0.028 0.000 2.686 1418 F HA 0.585 5.112 4.527 -0.000 0.000 0.311 1418 F C -1.336 174.449 175.800 -0.026 0.000 1.128 1418 F CA -1.481 56.483 58.000 -0.060 0.000 0.946 1418 F CB 1.604 40.543 39.000 -0.101 0.000 1.336 1418 F HN 0.444 nan 8.300 nan 0.000 0.457 1419 K N 2.614 123.064 120.400 0.083 0.000 2.218 1419 K HA 0.598 4.918 4.320 -0.000 0.000 0.276 1419 K C -0.610 175.996 176.600 0.011 0.000 1.022 1419 K CA -0.645 55.642 56.287 -0.001 0.000 0.946 1419 K CB 1.687 34.212 32.500 0.041 0.000 1.000 1419 K HN 0.741 nan 8.250 nan 0.000 0.468 1420 I N 0.761 121.311 120.570 -0.034 0.000 2.509 1420 I HA 0.479 4.649 4.170 -0.000 0.000 0.293 1420 I C -1.204 175.035 176.117 0.202 0.000 1.020 1420 I CA -1.066 60.273 61.300 0.065 0.000 1.088 1420 I CB 1.251 39.238 38.000 -0.023 0.000 1.267 1420 I HN 0.407 nan 8.210 nan 0.000 0.430 1421 L N 4.482 125.842 121.223 0.228 0.000 2.341 1421 L HA 0.531 4.871 4.340 -0.000 0.000 0.267 1421 L C -0.141 176.716 176.870 -0.022 0.000 1.009 1421 L CA -0.883 54.045 54.840 0.146 0.000 0.819 1421 L CB 2.061 44.149 42.059 0.048 0.000 1.323 1421 L HN 0.617 nan 8.230 nan 0.000 0.425 1422 K N 1.627 121.868 120.400 -0.265 0.000 2.262 1422 K HA 0.103 4.423 4.320 -0.000 0.000 0.288 1422 K C 0.719 177.139 176.600 -0.300 0.000 1.090 1422 K CA -0.098 55.785 56.287 -0.674 0.000 0.918 1422 K CB 0.290 32.335 32.500 -0.758 0.000 1.139 1422 K HN 0.626 nan 8.250 nan 0.000 0.462 1423 H N 4.299 123.148 119.070 -0.368 0.000 2.267 1423 H HA -0.076 4.480 4.556 -0.000 0.000 0.302 1423 H C -0.094 175.203 175.328 -0.052 0.000 1.056 1423 H CA 1.214 57.186 56.048 -0.127 0.000 1.269 1423 H CB 0.128 29.904 29.762 0.022 0.000 1.385 1423 H HN 0.491 nan 8.280 nan 0.000 0.501 1424 F N 0.774 120.581 119.950 -0.238 0.000 2.443 1424 F HA 0.391 4.918 4.527 0.000 0.000 0.335 1424 F C -0.446 175.241 175.800 -0.188 0.000 1.104 1424 F CA -1.217 56.630 58.000 -0.256 0.000 1.013 1424 F CB 1.256 40.099 39.000 -0.262 0.000 1.136 1424 F HN 0.030 nan 8.300 nan 0.000 0.470 1425 E N 3.739 123.904 120.200 -0.059 0.000 2.046 1425 E HA 0.480 4.830 4.350 -0.000 0.000 0.279 1425 E C -0.830 175.771 176.600 0.000 0.000 0.989 1425 E CA -0.753 55.585 56.400 -0.104 0.000 0.798 1425 E CB 1.036 30.689 29.700 -0.079 0.000 1.086 1425 E HN 0.713 nan 8.360 nan 0.000 0.399 1426 V N 1.619 121.527 119.914 -0.010 0.000 3.177 1426 V HA 0.695 4.815 4.120 -0.000 0.000 0.319 1426 V C 1.260 177.392 176.094 0.064 0.000 1.125 1426 V CA -0.064 62.281 62.300 0.075 0.000 1.029 1426 V CB 1.185 33.097 31.823 0.149 0.000 1.119 1426 V HN 0.647 nan 8.190 nan 0.000 0.452 1427 G N 0.319 109.182 108.800 0.104 0.000 2.524 1427 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.215 1427 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.215 1427 G C 0.231 175.243 174.900 0.187 0.000 1.239 1427 G CA 1.198 46.374 45.100 0.127 0.000 0.798 1427 G HN 0.728 nan 8.290 nan 0.000 0.557 1428 F N 0.977 120.966 119.950 0.065 0.000 2.422 1428 F HA 0.576 5.103 4.527 -0.000 0.000 0.333 1428 F C -0.326 175.538 175.800 0.107 0.000 1.095 1428 F CA -1.999 56.048 58.000 0.079 0.000 1.038 1428 F CB 1.182 40.217 39.000 0.060 0.000 1.156 1428 F HN -0.089 nan 8.300 nan 0.000 0.483 1429 I N 6.079 126.157 120.570 -0.820 0.000 2.291 1429 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 1429 I C 0.086 175.728 176.117 -0.790 0.000 1.050 1429 I CA -0.348 60.625 61.300 -0.545 0.000 1.245 1429 I CB 0.698 38.538 38.000 -0.268 0.000 1.405 1429 I HN 0.580 nan 8.210 nan 0.000 0.478 1430 Q N 6.837 126.424 119.800 -0.355 0.000 2.361 1430 Q HA 0.137 4.477 4.340 -0.000 0.000 0.276 1430 Q C -2.093 173.896 176.000 -0.019 0.000 1.022 1430 Q CA -1.318 54.446 55.803 -0.066 0.000 0.898 1430 Q CB 0.527 29.317 28.738 0.085 0.000 1.246 1430 Q HN 0.332 nan 8.270 nan 0.000 0.410 1431 P HA -0.014 nan 4.420 nan 0.000 0.269 1431 P C -0.367 176.860 177.300 -0.122 0.000 1.215 1431 P CA 0.051 63.158 63.100 0.010 0.000 0.780 1431 P CB 0.541 32.263 31.700 0.036 0.000 0.898 1432 G N 0.532 109.005 108.800 -0.546 0.000 2.511 1432 G HA2 0.579 4.539 3.960 -0.000 0.000 0.316 1432 G HA3 0.579 4.539 3.960 -0.000 0.000 0.316 1432 G C -0.807 173.830 174.900 -0.438 0.000 1.210 1432 G CA -0.424 44.325 45.100 -0.585 0.000 0.969 1432 G HN 0.587 nan 8.290 nan 0.000 0.492 1433 S N -2.082 113.518 115.700 -0.167 0.000 2.595 1433 S HA 0.720 5.190 4.470 -0.000 0.000 0.281 1433 S C -1.391 173.199 174.600 -0.018 0.000 1.117 1433 S CA -0.732 57.322 58.200 -0.243 0.000 0.873 1433 S CB 2.170 65.018 63.200 -0.586 0.000 1.108 1433 S HN 0.754 nan 8.310 nan 0.000 0.477 1434 V N 1.973 121.839 119.914 -0.080 0.000 2.525 1434 V HA 0.503 4.623 4.120 -0.000 0.000 0.299 1434 V C -0.642 175.412 176.094 -0.067 0.000 1.034 1434 V CA -0.619 61.668 62.300 -0.022 0.000 0.863 1434 V CB 1.669 33.499 31.823 0.012 0.000 0.999 1434 V HN 0.925 nan 8.190 nan 0.000 0.423 1435 K N 3.369 123.755 120.400 -0.025 0.000 2.156 1435 K HA 0.841 5.161 4.320 -0.000 0.000 0.254 1435 K C -1.253 175.359 176.600 0.021 0.000 0.950 1435 K CA -0.763 55.543 56.287 0.032 0.000 0.849 1435 K CB 2.600 35.177 32.500 0.128 0.000 1.100 1435 K HN 0.384 nan 8.250 nan 0.000 0.434 1436 V N 3.660 123.579 119.914 0.009 0.000 2.577 1436 V HA 0.503 4.623 4.120 -0.000 0.000 0.303 1436 V C -1.398 174.599 176.094 -0.161 0.000 1.042 1436 V CA -0.665 61.486 62.300 -0.247 0.000 0.872 1436 V CB 0.993 32.531 31.823 -0.474 0.000 0.998 1436 V HN 0.836 nan 8.190 nan 0.000 0.423 1437 Y N 1.960 122.030 120.300 -0.384 0.000 2.725 1437 Y HA 0.870 5.420 4.550 -0.000 0.000 0.333 1437 Y C -0.316 175.560 175.900 -0.040 0.000 1.242 1437 Y CA -0.916 57.096 58.100 -0.148 0.000 1.059 1437 Y CB 1.504 39.955 38.460 -0.015 0.000 1.306 1437 Y HN 0.566 nan 8.280 nan 0.000 0.454 1438 S N -0.841 115.020 115.700 0.269 0.000 2.704 1438 S HA 0.316 4.786 4.470 -0.000 0.000 0.296 1438 S C -0.106 174.634 174.600 0.234 0.000 1.138 1438 S CA -0.576 57.749 58.200 0.207 0.000 0.875 1438 S CB 1.448 64.814 63.200 0.278 0.000 1.151 1438 S HN 0.926 nan 8.310 nan 0.000 0.500 1439 Y N 0.911 121.245 120.300 0.057 0.000 2.081 1439 Y HA -0.171 4.379 4.550 -0.000 0.000 0.280 1439 Y C 1.446 177.290 175.900 -0.092 0.000 1.163 1439 Y CA 1.845 59.903 58.100 -0.071 0.000 1.135 1439 Y CB -0.520 37.784 38.460 -0.261 0.000 0.970 1439 Y HN 0.762 nan 8.280 nan 0.000 0.498 1440 Y N 0.021 120.408 120.300 0.144 0.000 2.502 1440 Y HA 0.100 4.650 4.550 0.000 0.000 0.295 1440 Y C 0.180 176.115 175.900 0.059 0.000 1.193 1440 Y CA 0.331 58.468 58.100 0.061 0.000 1.295 1440 Y CB -0.141 38.397 38.460 0.131 0.000 1.059 1440 Y HN 0.128 nan 8.280 nan 0.000 0.514 1441 N N 0.194 119.016 118.700 0.204 0.000 2.673 1441 N HA 0.217 4.957 4.740 -0.000 0.000 0.265 1441 N C -0.205 175.428 175.510 0.205 0.000 1.709 1441 N CA 0.043 53.229 53.050 0.227 0.000 0.792 1441 N CB 0.363 39.063 38.487 0.356 0.000 1.286 1441 N HN 0.293 nan 8.380 nan 0.000 0.506 1442 L N -0.639 120.635 121.223 0.084 0.000 2.629 1442 L HA 0.189 4.529 4.340 -0.000 0.000 0.230 1442 L C 0.522 177.363 176.870 -0.048 0.000 1.151 1442 L CA 0.366 55.229 54.840 0.038 0.000 0.924 1442 L CB 0.208 42.244 42.059 -0.039 0.000 1.137 1442 L HN 0.023 nan 8.230 nan 0.000 0.457 1443 D N -0.084 120.319 120.400 0.005 0.000 3.154 1443 D HA -0.001 4.639 4.640 -0.000 0.000 0.278 1443 D C 0.652 176.948 176.300 -0.007 0.000 1.460 1443 D CA 0.346 54.336 54.000 -0.018 0.000 1.114 1443 D CB 0.136 40.938 40.800 0.004 0.000 1.151 1443 D HN 0.100 nan 8.370 nan 0.000 0.376 1444 E N 1.896 122.122 120.200 0.044 0.000 2.614 1444 E HA 0.036 4.386 4.350 -0.000 0.000 0.321 1444 E C -0.419 176.230 176.600 0.081 0.000 1.354 1444 E CA 0.120 56.554 56.400 0.057 0.000 1.469 1444 E CB -0.140 29.605 29.700 0.075 0.000 1.197 1444 E HN 0.093 nan 8.360 nan 0.000 0.497 1445 K N 0.925 121.339 120.400 0.023 0.000 2.472 1445 K HA -0.021 4.299 4.320 -0.000 0.000 0.280 1445 K C 0.098 176.740 176.600 0.072 0.000 1.028 1445 K CA -0.245 56.060 56.287 0.030 0.000 1.045 1445 K CB 0.551 32.974 32.500 -0.129 0.000 0.902 1445 K HN 0.311 nan 8.250 nan 0.000 0.478 1446 c N 4.185 122.857 118.600 0.120 0.000 2.627 1446 c HA 0.186 4.756 4.570 -0.000 0.000 0.404 1446 c C -0.059 174.058 174.090 0.046 0.000 1.340 1446 c CA 0.067 56.461 56.329 0.108 0.000 1.758 1446 c CB -1.031 41.574 42.510 0.158 0.000 2.501 1446 c HN 0.686 nan 8.230 nan 0.000 0.588 1447 T N 7.108 121.676 114.554 0.023 0.000 2.879 1447 T HA 0.492 4.842 4.350 -0.000 0.000 0.290 1447 T C -0.906 173.752 174.700 -0.069 0.000 0.993 1447 T CA -0.639 61.418 62.100 -0.071 0.000 0.975 1447 T CB 1.271 70.065 68.868 -0.124 0.000 0.981 1447 T HN 0.674 nan 8.240 nan 0.000 0.439 1448 K N 2.248 122.570 120.400 -0.129 0.000 2.318 1448 K HA 0.630 4.950 4.320 -0.000 0.000 0.249 1448 K C -1.036 175.454 176.600 -0.183 0.000 0.942 1448 K CA -0.687 55.579 56.287 -0.035 0.000 0.808 1448 K CB 2.230 34.760 32.500 0.051 0.000 1.189 1448 K HN 0.437 nan 8.250 nan 0.000 0.428 1449 F N 0.930 120.931 119.950 0.085 0.000 2.457 1449 F HA 0.492 5.019 4.527 -0.000 0.000 0.330 1449 F C 0.097 175.974 175.800 0.129 0.000 1.069 1449 F CA -0.635 57.396 58.000 0.052 0.000 1.009 1449 F CB 1.028 40.022 39.000 -0.010 0.000 1.276 1449 F HN 0.469 nan 8.300 nan 0.000 0.492 1450 Y N -0.941 119.480 120.300 0.202 0.000 2.544 1450 Y HA 0.681 5.231 4.550 -0.000 0.000 0.342 1450 Y C -1.517 174.454 175.900 0.117 0.000 1.062 1450 Y CA -1.095 57.064 58.100 0.098 0.000 1.023 1450 Y CB 1.414 39.869 38.460 -0.008 0.000 1.308 1450 Y HN 0.708 nan 8.280 nan 0.000 0.457 1451 H N 3.348 122.466 119.070 0.081 0.000 3.112 1451 H HA 0.250 4.806 4.556 -0.000 0.000 0.347 1451 H C -2.617 172.710 175.328 -0.001 0.000 1.188 1451 H CA -1.813 54.215 56.048 -0.033 0.000 1.240 1451 H CB 3.363 33.085 29.762 -0.067 0.000 1.920 1451 H HN 0.553 nan 8.280 nan 0.000 0.535 1452 P HA -0.079 nan 4.420 nan 0.000 0.217 1452 P C 0.451 177.803 177.300 0.088 0.000 1.150 1452 P CA 1.064 64.107 63.100 -0.096 0.000 0.832 1452 P CB 0.596 32.167 31.700 -0.215 0.000 0.787 1453 D N -0.487 120.113 120.400 0.334 0.000 2.340 1453 D HA 0.088 4.728 4.640 -0.000 0.000 0.220 1453 D C 0.423 176.827 176.300 0.174 0.000 1.039 1453 D CA 0.669 54.823 54.000 0.258 0.000 0.866 1453 D CB 0.190 41.156 40.800 0.276 0.000 0.913 1453 D HN 0.293 nan 8.370 nan 0.000 0.523 1454 K N -0.912 119.607 120.400 0.197 0.000 2.371 1454 K HA 0.498 4.818 4.320 -0.000 0.000 0.251 1454 K C 0.996 177.647 176.600 0.086 0.000 0.934 1454 K CA -0.714 55.620 56.287 0.079 0.000 0.798 1454 K CB 2.576 35.070 32.500 -0.010 0.000 1.204 1454 K HN -0.167 nan 8.250 nan 0.000 0.427 1455 G N 0.315 109.147 108.800 0.055 0.000 2.575 1455 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.215 1455 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.215 1455 G C 1.049 175.992 174.900 0.071 0.000 1.262 1455 G CA 1.362 46.494 45.100 0.053 0.000 0.807 1455 G HN 0.672 nan 8.290 nan 0.000 0.567 1456 T N -1.308 113.284 114.554 0.064 0.000 3.194 1456 T HA 0.385 4.735 4.350 -0.000 0.000 0.251 1456 T C 1.685 176.459 174.700 0.123 0.000 1.132 1456 T CA 0.887 63.041 62.100 0.090 0.000 1.028 1456 T CB 0.042 68.952 68.868 0.070 0.000 0.976 1456 T HN 1.477 nan 8.240 nan 0.000 0.535 1457 G N 1.502 110.365 108.800 0.104 0.000 2.249 1457 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.273 1457 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.273 1457 G C -0.119 174.769 174.900 -0.021 0.000 1.036 1457 G CA 0.054 45.217 45.100 0.106 0.000 0.824 1457 G HN 0.631 nan 8.290 nan 0.000 0.504 1458 L N -0.106 121.079 121.223 -0.063 0.000 2.307 1458 L HA 0.503 4.843 4.340 -0.000 0.000 0.282 1458 L C 1.326 178.114 176.870 -0.137 0.000 1.051 1458 L CA -1.097 53.656 54.840 -0.145 0.000 0.804 1458 L CB 1.242 43.248 42.059 -0.089 0.000 1.197 1458 L HN 0.041 nan 8.230 nan 0.000 0.431 1459 L N 3.039 124.162 121.223 -0.166 0.000 2.506 1459 L HA -0.003 4.337 4.340 -0.000 0.000 0.281 1459 L C 0.318 177.134 176.870 -0.089 0.000 1.228 1459 L CA -0.174 54.601 54.840 -0.110 0.000 0.850 1459 L CB 0.074 42.066 42.059 -0.111 0.000 1.110 1459 L HN 0.595 nan 8.230 nan 0.000 0.496 1460 N N 3.907 122.562 118.700 -0.076 0.000 2.431 1460 N HA 0.160 4.899 4.740 -0.000 0.000 0.265 1460 N C -0.660 174.819 175.510 -0.052 0.000 1.184 1460 N CA -0.004 53.012 53.050 -0.057 0.000 0.943 1460 N CB 0.606 39.063 38.487 -0.050 0.000 1.080 1460 N HN 0.457 nan 8.380 nan 0.000 0.477 1461 K N 0.798 121.174 120.400 -0.040 0.000 2.482 1461 K HA 0.630 4.950 4.320 -0.000 0.000 0.257 1461 K C -1.059 175.531 176.600 -0.017 0.000 0.969 1461 K CA -0.775 55.494 56.287 -0.030 0.000 0.842 1461 K CB 1.743 34.222 32.500 -0.035 0.000 1.359 1461 K HN 0.196 nan 8.250 nan 0.000 0.441 1462 I N 1.195 121.760 120.570 -0.009 0.000 2.474 1462 I HA 0.361 4.531 4.170 -0.000 0.000 0.294 1462 I C -1.013 175.100 176.117 -0.006 0.000 1.005 1462 I CA -0.998 60.300 61.300 -0.003 0.000 1.113 1462 I CB 2.058 40.063 38.000 0.008 0.000 1.289 1462 I HN 0.658 nan 8.210 nan 0.000 0.436 1463 c N 6.767 125.363 118.600 -0.007 0.000 2.407 1463 c HA 0.478 5.048 4.570 -0.000 0.000 0.328 1463 c C -0.191 173.893 174.090 -0.010 0.000 1.137 1463 c CA -0.579 55.745 56.329 -0.009 0.000 1.390 1463 c CB 0.175 42.681 42.510 -0.008 0.000 1.989 1463 c HN 0.436 nan 8.230 nan 0.000 0.432 1464 I N 4.049 124.611 120.570 -0.013 0.000 2.287 1464 I HA 0.557 4.727 4.170 -0.000 0.000 0.290 1464 I C 1.094 177.203 176.117 -0.013 0.000 1.069 1464 I CA 1.547 62.838 61.300 -0.016 0.000 1.237 1464 I CB 0.103 38.089 38.000 -0.024 0.000 1.418 1464 I HN 1.022 nan 8.210 nan 0.000 0.481 1465 G N 5.770 114.565 108.800 -0.009 0.000 2.543 1465 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.286 1465 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.286 1465 G C 0.742 175.640 174.900 -0.003 0.000 1.153 1465 G CA 0.195 45.291 45.100 -0.005 0.000 0.968 1465 G HN 0.482 nan 8.290 nan 0.000 0.544 1466 N N 0.579 119.278 118.700 -0.002 0.000 2.238 1466 N HA 0.354 5.094 4.740 -0.000 0.000 0.222 1466 N C -0.144 175.364 175.510 -0.002 0.000 1.133 1466 N CA 0.587 53.637 53.050 0.000 0.000 0.854 1466 N CB 1.044 39.534 38.487 0.005 0.000 1.041 1466 N HN 0.455 nan 8.380 nan 0.000 0.510 1467 V N 1.340 121.250 119.914 -0.006 0.000 2.347 1467 V HA 0.359 4.479 4.120 -0.000 0.000 0.280 1467 V C 0.034 176.122 176.094 -0.010 0.000 1.021 1467 V CA -0.806 61.489 62.300 -0.009 0.000 0.847 1467 V CB 1.203 33.019 31.823 -0.013 0.000 0.990 1467 V HN 0.076 nan 8.190 nan 0.000 0.444 1468 c N 5.174 123.769 118.600 -0.009 0.000 2.456 1468 c HA 0.818 5.388 4.570 -0.000 0.000 0.325 1468 c C 0.309 174.393 174.090 -0.010 0.000 1.217 1468 c CA -0.870 55.453 56.329 -0.010 0.000 1.687 1468 c CB 1.529 44.031 42.510 -0.013 0.000 2.270 1468 c HN 0.875 nan 8.230 nan 0.000 0.499 1469 R N 0.558 121.052 120.500 -0.008 0.000 2.740 1469 R HA 0.487 4.827 4.340 -0.000 0.000 0.282 1469 R C -0.791 175.502 176.300 -0.011 0.000 0.969 1469 R CA -0.312 55.784 56.100 -0.006 0.000 0.918 1469 R CB 0.997 31.299 30.300 0.004 0.000 1.175 1469 R HN 0.862 nan 8.270 nan 0.000 0.464 1470 C N 2.201 121.492 119.300 -0.015 0.000 2.648 1470 C HA 0.368 4.828 4.460 -0.000 0.000 0.415 1470 C C 1.513 176.491 174.990 -0.021 0.000 1.366 1470 C CA 0.127 59.128 59.018 -0.028 0.000 1.756 1470 C CB -0.659 27.058 27.740 -0.038 0.000 2.549 1470 C HN 0.864 nan 8.230 nan 0.000 0.597 1471 A N 4.318 127.122 122.820 -0.027 0.000 2.238 1471 A HA 0.544 4.864 4.320 -0.000 0.000 0.210 1471 A C 1.109 178.676 177.584 -0.028 0.000 1.179 1471 A CA 0.946 52.975 52.037 -0.014 0.000 0.827 1471 A CB -0.771 18.224 19.000 -0.008 0.000 0.856 1471 A HN 2.244 nan 8.150 nan 0.000 0.488 1472 G N -0.810 107.954 108.800 -0.060 0.000 2.712 1472 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.686 1472 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.686 1472 G C -0.017 174.816 174.900 -0.113 0.000 1.321 1472 G CA -0.012 45.035 45.100 -0.089 0.000 0.813 1472 G HN 0.074 nan 8.290 nan 0.000 0.599 1473 E N -0.260 119.834 120.200 -0.177 0.000 2.166 1473 E HA 0.093 4.443 4.350 -0.000 0.000 0.192 1473 E C 1.716 178.280 176.600 -0.059 0.000 0.967 1473 E CA 1.363 57.658 56.400 -0.173 0.000 0.840 1473 E CB -0.152 29.266 29.700 -0.469 0.000 0.795 1473 E HN 0.615 nan 8.360 nan 0.000 0.470 1474 T N 1.303 115.820 114.554 -0.061 0.000 2.904 1474 T HA 0.196 4.546 4.350 -0.000 0.000 0.290 1474 T C 0.386 175.074 174.700 -0.020 0.000 1.018 1474 T CA -0.292 61.797 62.100 -0.019 0.000 1.075 1474 T CB 1.121 69.977 68.868 -0.021 0.000 0.986 1474 T HN 0.050 nan 8.240 nan 0.000 0.523 1475 c N 1.879 120.473 118.600 -0.010 0.000 2.459 1475 c HA 0.565 5.135 4.570 -0.000 0.000 0.374 1475 c C 1.163 175.233 174.090 -0.033 0.000 1.241 1475 c CA -0.489 55.831 56.329 -0.014 0.000 2.352 1475 c CB 0.940 43.447 42.510 -0.006 0.000 2.490 1475 c HN 0.864 nan 8.230 nan 0.000 0.583 1476 S N 1.381 117.056 115.700 -0.041 0.000 2.499 1476 S HA 0.594 5.063 4.470 -0.000 0.000 0.279 1476 S C -0.092 174.446 174.600 -0.103 0.000 1.219 1476 S CA -0.382 57.773 58.200 -0.075 0.000 1.062 1476 S CB 0.401 63.559 63.200 -0.071 0.000 0.978 1476 S HN 0.940 nan 8.310 nan 0.000 0.489 1477 S N 5.225 120.843 115.700 -0.137 0.000 2.566 1477 S HA 0.533 5.003 4.470 -0.000 0.000 0.298 1477 S C -0.430 174.043 174.600 -0.212 0.000 1.083 1477 S CA -1.004 57.108 58.200 -0.146 0.000 0.978 1477 S CB 0.921 64.056 63.200 -0.108 0.000 1.073 1477 S HN 0.674 nan 8.310 nan 0.000 0.491 1478 L N 2.714 123.826 121.223 -0.185 0.000 2.615 1478 L HA 0.149 4.489 4.340 -0.000 0.000 0.271 1478 L C -0.031 176.717 176.870 -0.203 0.000 1.183 1478 L CA 0.452 55.177 54.840 -0.192 0.000 0.933 1478 L CB -0.979 41.030 42.059 -0.083 0.000 1.199 1478 L HN 0.835 nan 8.230 nan 0.000 0.487 1479 N N 3.698 122.175 118.700 -0.371 0.000 2.492 1479 N HA 0.064 4.804 4.740 -0.000 0.000 0.262 1479 N C -0.364 175.074 175.510 -0.120 0.000 1.202 1479 N CA 0.364 53.162 53.050 -0.420 0.000 0.926 1479 N CB 0.247 38.146 38.487 -0.981 0.000 1.078 1479 N HN 0.411 nan 8.380 nan 0.000 0.454 1480 H N 2.243 121.228 119.070 -0.142 0.000 2.974 1480 H HA 0.197 4.753 4.556 -0.000 0.000 0.285 1480 H C -1.155 174.167 175.328 -0.009 0.000 1.227 1480 H CA -0.443 55.583 56.048 -0.037 0.000 1.569 1480 H CB 0.391 30.140 29.762 -0.021 0.000 1.648 1480 H HN 0.613 nan 8.280 nan 0.000 0.521 1481 Q N 2.042 121.751 119.800 -0.153 0.000 2.214 1481 Q HA 0.155 4.495 4.340 -0.000 0.000 0.251 1481 Q C 0.887 176.749 176.000 -0.231 0.000 0.936 1481 Q CA -0.593 55.154 55.803 -0.092 0.000 0.894 1481 Q CB 1.939 30.660 28.738 -0.029 0.000 1.252 1481 Q HN 0.729 nan 8.270 nan 0.000 0.448 1482 E N 0.542 120.689 120.200 -0.088 0.000 2.481 1482 E HA 0.123 4.473 4.350 -0.000 0.000 0.198 1482 E C -0.164 176.422 176.600 -0.023 0.000 1.027 1482 E CA 0.013 56.375 56.400 -0.063 0.000 0.900 1482 E CB 0.689 30.404 29.700 0.025 0.000 0.993 1482 E HN 0.179 nan 8.360 nan 0.000 0.482 1483 R N 0.732 121.216 120.500 -0.026 0.000 2.698 1483 R HA 0.497 4.837 4.340 -0.000 0.000 0.275 1483 R C -1.084 175.186 176.300 -0.050 0.000 1.001 1483 R CA -0.768 55.320 56.100 -0.021 0.000 0.896 1483 R CB 1.652 31.945 30.300 -0.011 0.000 1.218 1483 R HN 0.095 nan 8.270 nan 0.000 0.462 1484 I N 1.673 122.195 120.570 -0.080 0.000 2.330 1484 I HA 0.106 4.276 4.170 -0.000 0.000 0.289 1484 I C 0.166 176.215 176.117 -0.113 0.000 1.001 1484 I CA -0.622 60.587 61.300 -0.152 0.000 1.193 1484 I CB 1.600 39.411 38.000 -0.316 0.000 1.345 1484 I HN 0.338 nan 8.210 nan 0.000 0.461 1485 D N 6.923 127.267 120.400 -0.093 0.000 2.545 1485 D HA 0.044 4.684 4.640 -0.000 0.000 0.227 1485 D C 1.233 177.484 176.300 -0.081 0.000 1.150 1485 D CA 0.022 53.983 54.000 -0.064 0.000 1.046 1485 D CB 0.707 41.481 40.800 -0.043 0.000 1.098 1485 D HN 0.295 nan 8.370 nan 0.000 0.502 1486 V N 4.551 124.426 119.914 -0.065 0.000 2.317 1486 V HA -0.240 3.880 4.120 -0.000 0.000 0.251 1486 V C -0.547 175.552 176.094 0.008 0.000 1.065 1486 V CA 1.652 63.937 62.300 -0.025 0.000 1.049 1486 V CB -1.426 30.425 31.823 0.047 0.000 0.651 1486 V HN 0.464 nan 8.190 nan 0.000 0.450 1487 P HA -0.167 nan 4.420 nan 0.000 0.215 1487 P C 1.923 179.205 177.300 -0.030 0.000 1.157 1487 P CA 1.437 64.531 63.100 -0.009 0.000 0.874 1487 P CB -0.060 31.631 31.700 -0.015 0.000 0.790 1488 L N -0.766 120.430 121.223 -0.046 0.000 2.162 1488 L HA -0.009 4.331 4.340 -0.000 0.000 0.205 1488 L C 2.405 179.213 176.870 -0.103 0.000 1.086 1488 L CA 1.664 56.467 54.840 -0.061 0.000 0.778 1488 L CB -1.294 40.739 42.059 -0.044 0.000 0.928 1488 L HN -0.194 nan 8.230 nan 0.000 0.446 1489 Q N -0.407 119.308 119.800 -0.143 0.000 2.181 1489 Q HA -0.190 4.150 4.340 -0.000 0.000 0.205 1489 Q C 1.979 177.859 176.000 -0.201 0.000 0.980 1489 Q CA 1.800 57.444 55.803 -0.265 0.000 0.862 1489 Q CB -0.170 28.294 28.738 -0.456 0.000 0.905 1489 Q HN 0.502 nan 8.270 nan 0.000 0.429 1490 I N 0.513 121.067 120.570 -0.027 0.000 2.163 1490 I HA -0.218 3.952 4.170 -0.000 0.000 0.240 1490 I C 2.099 178.140 176.117 -0.127 0.000 1.081 1490 I CA 1.520 62.846 61.300 0.042 0.000 1.353 1490 I CB -1.027 37.001 38.000 0.047 0.000 1.054 1490 I HN 0.417 nan 8.210 nan 0.000 0.407 1491 E N 0.780 120.907 120.200 -0.121 0.000 2.086 1491 E HA -0.277 4.073 4.350 -0.000 0.000 0.200 1491 E C 2.161 178.635 176.600 -0.210 0.000 1.012 1491 E CA 1.554 57.871 56.400 -0.138 0.000 0.812 1491 E CB -0.044 29.600 29.700 -0.093 0.000 0.743 1491 E HN 0.447 nan 8.360 nan 0.000 0.453 1492 K N -0.051 120.198 120.400 -0.251 0.000 2.063 1492 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 1492 K C 1.921 178.135 176.600 -0.643 0.000 1.048 1492 K CA 1.160 57.263 56.287 -0.307 0.000 0.928 1492 K CB -0.079 32.289 32.500 -0.221 0.000 0.713 1492 K HN 0.044 nan 8.250 nan 0.000 0.442 1493 A N -0.022 122.230 122.820 -0.947 0.000 2.238 1493 A HA -0.028 4.292 4.320 -0.000 0.000 0.208 1493 A C 1.287 178.485 177.584 -0.643 0.000 1.177 1493 A CA 0.493 51.780 52.037 -1.249 0.000 0.804 1493 A CB -0.161 18.179 19.000 -1.099 0.000 0.823 1493 A HN 0.362 nan 8.150 nan 0.000 0.482 1494 c N 0.065 118.414 118.600 -0.418 0.000 2.976 1494 c HA 0.354 4.924 4.570 -0.000 0.000 0.274 1494 c C 0.504 174.475 174.090 -0.199 0.000 1.487 1494 c CA -0.747 55.423 56.329 -0.265 0.000 1.789 1494 c CB -1.413 40.980 42.510 -0.195 0.000 2.771 1494 c HN 0.555 nan 8.230 nan 0.000 0.551 1495 E N 0.390 120.461 120.200 -0.215 0.000 2.374 1495 E HA 0.135 4.485 4.350 -0.000 0.000 0.260 1495 E C 1.369 177.900 176.600 -0.115 0.000 1.101 1495 E CA 0.207 56.527 56.400 -0.134 0.000 0.907 1495 E CB 0.766 30.404 29.700 -0.103 0.000 1.014 1495 E HN 0.151 nan 8.360 nan 0.000 0.427 1496 T N 1.155 115.665 114.554 -0.073 0.000 2.962 1496 T HA -0.109 4.241 4.350 -0.000 0.000 0.270 1496 T C 0.783 175.453 174.700 -0.049 0.000 1.088 1496 T CA 1.415 63.481 62.100 -0.058 0.000 1.127 1496 T CB -0.235 68.611 68.868 -0.037 0.000 0.883 1496 T HN 0.493 nan 8.240 nan 0.000 0.493 1497 N N 0.676 119.351 118.700 -0.043 0.000 2.251 1497 N HA 0.113 4.853 4.740 -0.000 0.000 0.217 1497 N C -0.517 174.967 175.510 -0.044 0.000 1.124 1497 N CA -0.152 52.884 53.050 -0.024 0.000 0.843 1497 N CB -0.078 38.411 38.487 0.004 0.000 1.024 1497 N HN 0.169 nan 8.380 nan 0.000 0.501 1498 V N 0.983 120.834 119.914 -0.105 0.000 2.364 1498 V HA 0.121 4.241 4.120 -0.000 0.000 0.272 1498 V C 0.649 176.623 176.094 -0.199 0.000 1.036 1498 V CA -0.487 61.702 62.300 -0.186 0.000 0.880 1498 V CB 1.126 32.749 31.823 -0.334 0.000 0.991 1498 V HN 0.115 nan 8.190 nan 0.000 0.460 1499 D N 3.318 123.578 120.400 -0.234 0.000 2.183 1499 D HA 0.041 4.681 4.640 -0.000 0.000 0.205 1499 D C 0.140 176.408 176.300 -0.054 0.000 0.962 1499 D CA 1.099 55.048 54.000 -0.083 0.000 0.849 1499 D CB 0.346 41.211 40.800 0.109 0.000 0.978 1499 D HN 0.659 nan 8.370 nan 0.000 0.488 1500 Y N -2.963 117.266 120.300 -0.119 0.000 2.655 1500 Y HA 0.634 5.184 4.550 -0.000 0.000 0.336 1500 Y C -1.481 174.260 175.900 -0.265 0.000 1.154 1500 Y CA -1.584 56.358 58.100 -0.264 0.000 1.055 1500 Y CB 1.183 39.327 38.460 -0.525 0.000 1.295 1500 Y HN -0.320 nan 8.280 nan 0.000 0.465 1501 V N 2.673 122.561 119.914 -0.044 0.000 2.498 1501 V HA 0.349 4.469 4.120 -0.000 0.000 0.283 1501 V C -1.530 174.685 176.094 0.202 0.000 1.015 1501 V CA -0.750 61.624 62.300 0.123 0.000 0.867 1501 V CB 0.426 32.312 31.823 0.106 0.000 1.025 1501 V HN 0.684 nan 8.190 nan 0.000 0.441 1502 Y N 2.092 122.615 120.300 0.373 0.000 2.457 1502 Y HA 0.608 5.158 4.550 -0.000 0.000 0.333 1502 Y C 0.322 176.363 175.900 0.235 0.000 1.119 1502 Y CA -1.778 56.449 58.100 0.212 0.000 1.143 1502 Y CB 1.502 40.018 38.460 0.093 0.000 1.230 1502 Y HN 0.488 nan 8.280 nan 0.000 0.469 1503 K N 1.511 122.086 120.400 0.291 0.000 2.185 1503 K HA 0.578 4.898 4.320 -0.000 0.000 0.269 1503 K C -0.735 175.874 176.600 0.017 0.000 0.987 1503 K CA -0.325 56.028 56.287 0.109 0.000 0.865 1503 K CB 0.778 33.120 32.500 -0.264 0.000 1.090 1503 K HN 0.901 nan 8.250 nan 0.000 0.450 1504 T N 0.401 114.981 114.554 0.043 0.000 2.901 1504 T HA 0.437 4.787 4.350 -0.000 0.000 0.293 1504 T C -1.078 173.619 174.700 -0.005 0.000 1.084 1504 T CA -0.995 61.114 62.100 0.016 0.000 1.008 1504 T CB 1.676 70.592 68.868 0.081 0.000 1.170 1504 T HN 0.561 nan 8.240 nan 0.000 0.509 1505 K N 0.929 121.329 120.400 0.001 0.000 2.324 1505 K HA 0.595 4.915 4.320 -0.000 0.000 0.253 1505 K C -1.449 175.210 176.600 0.098 0.000 0.932 1505 K CA -1.122 55.170 56.287 0.009 0.000 0.799 1505 K CB 1.750 34.228 32.500 -0.037 0.000 1.154 1505 K HN 0.540 nan 8.250 nan 0.000 0.425 1506 L N 5.913 127.230 121.223 0.157 0.000 2.295 1506 L HA 0.167 4.507 4.340 -0.000 0.000 0.288 1506 L C 0.052 177.008 176.870 0.144 0.000 1.079 1506 L CA -0.022 54.935 54.840 0.197 0.000 0.830 1506 L CB 0.495 42.729 42.059 0.292 0.000 1.200 1506 L HN 0.832 nan 8.230 nan 0.000 0.438 1507 L N 4.801 126.099 121.223 0.126 0.000 2.022 1507 L HA 0.202 4.542 4.340 -0.000 0.000 0.204 1507 L C 1.247 178.173 176.870 0.093 0.000 1.076 1507 L CA 1.399 56.294 54.840 0.093 0.000 0.749 1507 L CB -0.455 41.651 42.059 0.078 0.000 0.903 1507 L HN 0.671 nan 8.230 nan 0.000 0.439 1508 R N -1.622 118.940 120.500 0.103 0.000 2.885 1508 R HA 0.643 4.983 4.340 -0.000 0.000 0.260 1508 R C -1.152 175.201 176.300 0.088 0.000 1.107 1508 R CA -0.830 55.318 56.100 0.081 0.000 0.978 1508 R CB 1.606 31.937 30.300 0.052 0.000 1.227 1508 R HN -0.167 nan 8.270 nan 0.000 0.473 1509 I N 1.788 122.382 120.570 0.039 0.000 2.583 1509 I HA 0.227 4.397 4.170 -0.000 0.000 0.276 1509 I C -0.568 175.510 176.117 -0.065 0.000 1.089 1509 I CA -0.367 60.910 61.300 -0.038 0.000 1.103 1509 I CB 1.656 39.636 38.000 -0.033 0.000 1.209 1509 I HN 0.483 nan 8.210 nan 0.000 0.484 1510 E N 4.767 124.925 120.200 -0.070 0.000 2.314 1510 E HA 0.448 4.798 4.350 -0.000 0.000 0.262 1510 E C -0.641 175.907 176.600 -0.085 0.000 1.093 1510 E CA -0.620 55.747 56.400 -0.056 0.000 0.908 1510 E CB 1.354 31.036 29.700 -0.031 0.000 1.091 1510 E HN 0.423 nan 8.360 nan 0.000 0.425 1511 E N 1.394 121.559 120.200 -0.058 0.000 2.265 1511 E HA 0.142 4.492 4.350 -0.000 0.000 0.262 1511 E C -1.430 175.146 176.600 -0.039 0.000 0.889 1511 E CA -0.564 55.800 56.400 -0.059 0.000 0.789 1511 E CB 1.634 31.305 29.700 -0.050 0.000 1.221 1511 E HN 0.314 nan 8.360 nan 0.000 0.414 1512 Q N 1.476 121.253 119.800 -0.038 0.000 2.337 1512 Q HA 0.370 4.710 4.340 -0.000 0.000 0.270 1512 Q C -1.047 174.941 176.000 -0.021 0.000 1.043 1512 Q CA -0.793 54.995 55.803 -0.025 0.000 0.794 1512 Q CB 1.301 30.026 28.738 -0.022 0.000 1.281 1512 Q HN 0.238 nan 8.270 nan 0.000 0.446 1513 D N 3.103 123.494 120.400 -0.015 0.000 2.755 1513 D HA -0.148 4.492 4.640 -0.000 0.000 0.227 1513 D C 0.756 177.049 176.300 -0.011 0.000 1.211 1513 D CA 2.190 56.184 54.000 -0.010 0.000 0.663 1513 D CB -1.211 39.584 40.800 -0.008 0.000 0.983 1513 D HN 1.256 nan 8.370 nan 0.000 0.407 1514 G N -0.277 108.515 108.800 -0.013 0.000 2.225 1514 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.267 1514 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.267 1514 G C 0.071 174.962 174.900 -0.016 0.000 1.024 1514 G CA 0.240 45.332 45.100 -0.012 0.000 0.784 1514 G HN 0.520 nan 8.290 nan 0.000 0.507 1515 N N 0.124 118.809 118.700 -0.025 0.000 2.269 1515 N HA 0.475 5.215 4.740 -0.000 0.000 0.304 1515 N C -1.515 173.952 175.510 -0.070 0.000 1.072 1515 N CA -0.674 52.357 53.050 -0.031 0.000 0.802 1515 N CB 1.657 40.133 38.487 -0.019 0.000 1.348 1515 N HN 0.024 nan 8.380 nan 0.000 0.484 1516 D N 1.216 121.553 120.400 -0.106 0.000 2.274 1516 D HA 0.329 4.969 4.640 -0.000 0.000 0.239 1516 D C -0.032 176.084 176.300 -0.306 0.000 1.104 1516 D CA -0.215 53.624 54.000 -0.268 0.000 0.840 1516 D CB 1.102 41.660 40.800 -0.403 0.000 1.100 1516 D HN 0.287 nan 8.370 nan 0.000 0.477 1517 I N 3.914 124.322 120.570 -0.270 0.000 2.307 1517 I HA 0.125 4.295 4.170 -0.000 0.000 0.287 1517 I C -0.408 175.616 176.117 -0.155 0.000 1.054 1517 I CA -0.640 60.579 61.300 -0.135 0.000 1.218 1517 I CB -0.359 37.612 38.000 -0.048 0.000 1.398 1517 I HN 0.176 nan 8.210 nan 0.000 0.475 1518 Y N 4.955 125.321 120.300 0.109 0.000 2.486 1518 Y HA 0.208 4.758 4.550 -0.000 0.000 0.348 1518 Y C 0.651 176.647 175.900 0.160 0.000 1.000 1518 Y CA -0.507 57.661 58.100 0.113 0.000 1.253 1518 Y CB 0.623 39.136 38.460 0.089 0.000 1.140 1518 Y HN 0.244 nan 8.280 nan 0.000 0.526 1519 V N 5.749 125.807 119.914 0.241 0.000 2.389 1519 V HA 0.181 4.301 4.120 -0.000 0.000 0.264 1519 V C 0.207 176.430 176.094 0.216 0.000 1.049 1519 V CA -0.550 61.873 62.300 0.205 0.000 0.932 1519 V CB 0.003 31.902 31.823 0.127 0.000 1.011 1519 V HN 0.656 nan 8.190 nan 0.000 0.475 1520 M N 3.397 123.154 119.600 0.262 0.000 2.423 1520 M HA 0.507 4.987 4.480 -0.000 0.000 0.335 1520 M C -0.498 175.885 176.300 0.139 0.000 1.177 1520 M CA -0.521 54.904 55.300 0.208 0.000 1.038 1520 M CB 1.536 34.289 32.600 0.255 0.000 1.641 1520 M HN 0.496 nan 8.290 nan 0.000 0.455 1521 D N 1.524 121.961 120.400 0.061 0.000 2.192 1521 D HA 0.470 5.110 4.640 -0.000 0.000 0.246 1521 D C -1.107 175.136 176.300 -0.095 0.000 1.042 1521 D CA -0.395 53.602 54.000 -0.006 0.000 0.847 1521 D CB 1.871 42.668 40.800 -0.005 0.000 1.186 1521 D HN 0.270 nan 8.370 nan 0.000 0.461 1522 V N 5.400 125.187 119.914 -0.211 0.000 2.385 1522 V HA 0.158 4.278 4.120 -0.000 0.000 0.269 1522 V C 1.480 177.451 176.094 -0.205 0.000 1.043 1522 V CA -0.256 61.851 62.300 -0.320 0.000 0.906 1522 V CB 0.988 32.413 31.823 -0.664 0.000 0.995 1522 V HN 0.507 nan 8.190 nan 0.000 0.467 1523 L N 2.562 123.688 121.223 -0.162 0.000 2.168 1523 L HA 0.360 4.700 4.340 -0.000 0.000 0.203 1523 L C 0.841 177.638 176.870 -0.121 0.000 1.078 1523 L CA 0.881 55.637 54.840 -0.141 0.000 0.780 1523 L CB 0.141 42.096 42.059 -0.173 0.000 0.939 1523 L HN 0.591 nan 8.230 nan 0.000 0.451 1524 E N -0.234 119.905 120.200 -0.102 0.000 2.304 1524 E HA 0.291 4.641 4.350 -0.000 0.000 0.277 1524 E C -1.396 175.234 176.600 0.049 0.000 0.898 1524 E CA -0.410 55.965 56.400 -0.042 0.000 0.764 1524 E CB 3.370 33.041 29.700 -0.048 0.000 1.216 1524 E HN -0.255 nan 8.360 nan 0.000 0.419 1525 V N 5.824 125.780 119.914 0.071 0.000 2.338 1525 V HA 0.023 4.143 4.120 -0.000 0.000 0.255 1525 V C 1.160 177.339 176.094 0.142 0.000 1.082 1525 V CA 0.070 62.486 62.300 0.194 0.000 0.951 1525 V CB 0.155 32.072 31.823 0.156 0.000 1.102 1525 V HN 0.707 nan 8.190 nan 0.000 0.489 1526 I N 3.157 123.831 120.570 0.173 0.000 2.500 1526 I HA 0.091 4.261 4.170 -0.000 0.000 0.252 1526 I C 1.091 177.203 176.117 -0.007 0.000 1.142 1526 I CA 1.107 62.450 61.300 0.071 0.000 1.451 1526 I CB -0.443 37.625 38.000 0.112 0.000 1.093 1526 I HN 0.467 nan 8.210 nan 0.000 0.430 1527 K N 1.359 121.779 120.400 0.035 0.000 2.565 1527 K HA 0.239 4.559 4.320 -0.000 0.000 0.249 1527 K C -0.528 176.108 176.600 0.060 0.000 0.958 1527 K CA -0.594 55.687 56.287 -0.010 0.000 0.806 1527 K CB 1.869 34.318 32.500 -0.085 0.000 1.194 1527 K HN -0.167 nan 8.250 nan 0.000 0.434 1528 Q N 2.084 121.921 119.800 0.063 0.000 2.289 1528 Q HA 0.287 4.627 4.340 -0.000 0.000 0.273 1528 Q C -0.298 175.773 176.000 0.118 0.000 1.029 1528 Q CA 0.472 56.342 55.803 0.113 0.000 0.896 1528 Q CB 1.080 29.863 28.738 0.075 0.000 1.182 1528 Q HN 0.724 nan 8.270 nan 0.000 0.385 1529 G N 1.760 110.677 108.800 0.195 0.000 2.753 1529 G HA2 0.262 4.222 3.960 -0.000 0.000 0.285 1529 G HA3 0.262 4.222 3.960 -0.000 0.000 0.285 1529 G C 0.312 175.327 174.900 0.191 0.000 1.344 1529 G CA -0.108 45.119 45.100 0.212 0.000 1.050 1529 G HN 0.664 nan 8.290 nan 0.000 0.532 1530 T N 0.173 114.844 114.554 0.195 0.000 2.665 1530 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 1530 T C 1.045 175.834 174.700 0.148 0.000 1.035 1530 T CA 1.415 63.604 62.100 0.149 0.000 1.151 1530 T CB -0.268 68.686 68.868 0.144 0.000 0.862 1530 T HN 0.460 nan 8.240 nan 0.000 0.438 1531 D N 1.824 122.342 120.400 0.198 0.000 2.433 1531 D HA -0.031 4.609 4.640 -0.000 0.000 0.274 1531 D C 1.039 177.429 176.300 0.150 0.000 1.344 1531 D CA 0.244 54.351 54.000 0.178 0.000 0.989 1531 D CB 0.361 41.318 40.800 0.260 0.000 1.116 1531 D HN 0.464 nan 8.370 nan 0.000 0.533 1532 E N 2.229 122.489 120.200 0.099 0.000 2.106 1532 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 1532 E C 0.504 177.143 176.600 0.066 0.000 0.984 1532 E CA 0.553 56.999 56.400 0.076 0.000 0.806 1532 E CB 0.200 29.931 29.700 0.052 0.000 0.750 1532 E HN 0.208 nan 8.360 nan 0.000 0.458 1533 N N 0.024 118.761 118.700 0.060 0.000 2.804 1533 N HA 0.093 4.833 4.740 -0.000 0.000 0.251 1533 N C -2.088 173.456 175.510 0.057 0.000 1.250 1533 N CA -1.670 51.407 53.050 0.044 0.000 0.820 1533 N CB 1.133 39.636 38.487 0.027 0.000 1.156 1533 N HN -0.089 nan 8.380 nan 0.000 0.512 1534 P HA 0.039 nan 4.420 nan 0.000 0.222 1534 P C 0.861 178.141 177.300 -0.032 0.000 1.157 1534 P CA 0.470 63.612 63.100 0.070 0.000 0.816 1534 P CB 0.777 32.395 31.700 -0.136 0.000 0.813 1535 R N 0.221 120.668 120.500 -0.089 0.000 2.189 1535 R HA 0.107 4.447 4.340 -0.000 0.000 0.218 1535 R C 2.087 178.364 176.300 -0.038 0.000 1.074 1535 R CA 1.156 57.194 56.100 -0.103 0.000 0.991 1535 R CB -0.658 29.588 30.300 -0.089 0.000 0.883 1535 R HN 0.147 nan 8.270 nan 0.000 0.457 1536 A N 0.744 123.562 122.820 -0.002 0.000 2.178 1536 A HA 0.055 4.375 4.320 -0.000 0.000 0.211 1536 A C 0.525 178.124 177.584 0.025 0.000 1.157 1536 A CA 0.555 52.596 52.037 0.007 0.000 0.780 1536 A CB 0.247 19.252 19.000 0.007 0.000 0.828 1536 A HN -0.086 nan 8.150 nan 0.000 0.476 1537 K N 0.564 121.001 120.400 0.061 0.000 2.281 1537 K HA 0.429 4.749 4.320 -0.000 0.000 0.242 1537 K C -0.396 176.296 176.600 0.152 0.000 0.971 1537 K CA -0.361 55.971 56.287 0.075 0.000 0.834 1537 K CB 1.389 33.908 32.500 0.033 0.000 1.181 1537 K HN 0.235 nan 8.250 nan 0.000 0.435 1538 T N -0.491 114.127 114.554 0.106 0.000 2.832 1538 T HA 0.310 4.660 4.350 -0.000 0.000 0.296 1538 T C -0.141 174.665 174.700 0.176 0.000 0.968 1538 T CA -0.431 61.756 62.100 0.146 0.000 1.107 1538 T CB 0.174 69.091 68.868 0.082 0.000 0.916 1538 T HN 0.289 nan 8.240 nan 0.000 0.517 1539 H N 2.272 121.382 119.070 0.065 0.000 2.597 1539 H HA 0.321 4.877 4.556 -0.000 0.000 0.303 1539 H C 0.171 175.595 175.328 0.161 0.000 1.057 1539 H CA -0.429 55.681 56.048 0.104 0.000 1.261 1539 H CB 0.729 30.585 29.762 0.157 0.000 1.397 1539 H HN 0.600 nan 8.280 nan 0.000 0.461 1540 Q N 3.390 123.264 119.800 0.123 0.000 2.294 1540 Q HA 0.204 4.544 4.340 -0.000 0.000 0.257 1540 Q C -0.751 175.316 176.000 0.111 0.000 0.955 1540 Q CA -0.258 55.628 55.803 0.137 0.000 0.936 1540 Q CB 1.165 29.931 28.738 0.048 0.000 1.188 1540 Q HN 0.605 nan 8.270 nan 0.000 0.420 1541 Y N 2.451 122.897 120.300 0.244 0.000 2.331 1541 Y HA 0.398 4.948 4.550 -0.000 0.000 0.338 1541 Y C -0.054 176.004 175.900 0.263 0.000 0.976 1541 Y CA -0.551 57.710 58.100 0.269 0.000 1.137 1541 Y CB 1.033 39.635 38.460 0.237 0.000 1.172 1541 Y HN 0.472 nan 8.280 nan 0.000 0.478 1542 I N 2.964 123.714 120.570 0.301 0.000 2.378 1542 I HA 0.418 4.588 4.170 -0.000 0.000 0.291 1542 I C -0.141 176.095 176.117 0.199 0.000 0.992 1542 I CA -0.327 61.090 61.300 0.196 0.000 1.154 1542 I CB 1.648 39.704 38.000 0.093 0.000 1.315 1542 I HN 0.478 nan 8.210 nan 0.000 0.448 1543 S N 4.988 120.801 115.700 0.188 0.000 2.632 1543 S HA 0.515 4.985 4.470 -0.000 0.000 0.289 1543 S C -1.042 173.607 174.600 0.081 0.000 1.115 1543 S CA -0.779 57.516 58.200 0.158 0.000 0.889 1543 S CB 1.660 65.008 63.200 0.247 0.000 1.116 1543 S HN 0.616 nan 8.310 nan 0.000 0.486 1544 Q N 1.565 121.400 119.800 0.058 0.000 2.259 1544 Q HA 0.463 4.803 4.340 -0.000 0.000 0.246 1544 Q C 0.859 176.876 176.000 0.029 0.000 0.920 1544 Q CA -0.793 55.027 55.803 0.027 0.000 0.895 1544 Q CB 0.962 29.709 28.738 0.016 0.000 1.220 1544 Q HN 0.719 nan 8.270 nan 0.000 0.439 1545 R N 1.493 121.997 120.500 0.008 0.000 2.105 1545 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 1545 R C 1.739 178.053 176.300 0.023 0.000 1.135 1545 R CA 2.056 58.160 56.100 0.006 0.000 0.967 1545 R CB -0.048 30.247 30.300 -0.008 0.000 0.861 1545 R HN 0.807 nan 8.270 nan 0.000 0.442 1546 K N -0.935 119.477 120.400 0.021 0.000 2.589 1546 K HA -0.112 4.208 4.320 -0.000 0.000 0.195 1546 K C 0.669 177.288 176.600 0.031 0.000 1.040 1546 K CA 1.103 57.404 56.287 0.023 0.000 0.950 1546 K CB -0.057 32.454 32.500 0.018 0.000 0.781 1546 K HN 0.174 nan 8.250 nan 0.000 0.486 1547 c N 1.239 119.865 118.600 0.043 0.000 2.994 1547 c HA 0.218 4.788 4.570 -0.000 0.000 0.284 1547 c C 1.807 175.944 174.090 0.078 0.000 1.404 1547 c CA -0.631 55.728 56.329 0.051 0.000 1.775 1547 c CB -0.472 42.068 42.510 0.051 0.000 2.458 1547 c HN 0.537 nan 8.230 nan 0.000 0.593 1548 Q N 1.155 121.006 119.800 0.085 0.000 2.029 1548 Q HA -0.298 4.042 4.340 -0.000 0.000 0.209 1548 Q C 2.172 178.222 176.000 0.084 0.000 0.999 1548 Q CA 2.147 58.019 55.803 0.114 0.000 0.857 1548 Q CB -0.064 28.720 28.738 0.076 0.000 0.926 1548 Q HN 0.726 nan 8.270 nan 0.000 0.415 1549 E N -0.442 119.788 120.200 0.049 0.000 2.170 1549 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 1549 E C 1.882 178.489 176.600 0.011 0.000 0.981 1549 E CA 0.622 57.040 56.400 0.030 0.000 0.830 1549 E CB 0.028 29.742 29.700 0.024 0.000 0.775 1549 E HN 0.336 nan 8.360 nan 0.000 0.470 1550 A N 1.235 124.059 122.820 0.007 0.000 1.902 1550 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 1550 A C 2.154 179.715 177.584 -0.038 0.000 1.181 1550 A CA 0.945 52.974 52.037 -0.014 0.000 0.623 1550 A CB -0.550 18.443 19.000 -0.011 0.000 0.818 1550 A HN 0.274 nan 8.150 nan 0.000 0.443 1551 L N -1.686 119.513 121.223 -0.040 0.000 1.973 1551 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 1551 L C 1.398 178.213 176.870 -0.093 0.000 1.073 1551 L CA 1.412 56.192 54.840 -0.101 0.000 0.746 1551 L CB -0.282 41.696 42.059 -0.135 0.000 0.891 1551 L HN 0.602 nan 8.230 nan 0.000 0.433 1552 N N -0.558 118.119 118.700 -0.039 0.000 2.815 1552 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 1552 N C -0.510 175.002 175.510 0.005 0.000 1.114 1552 N CA 0.304 53.354 53.050 -0.001 0.000 0.717 1552 N CB -1.694 36.794 38.487 0.002 0.000 1.074 1552 N HN 0.156 nan 8.380 nan 0.000 0.555 1553 L N -0.155 121.025 121.223 -0.073 0.000 2.490 1553 L HA 0.128 4.468 4.340 -0.000 0.000 0.274 1553 L C 0.947 177.891 176.870 0.124 0.000 1.201 1553 L CA 0.361 55.163 54.840 -0.064 0.000 0.869 1553 L CB 0.334 42.142 42.059 -0.419 0.000 1.123 1553 L HN 0.094 nan 8.230 nan 0.000 0.484 1554 K N 1.496 122.035 120.400 0.231 0.000 2.207 1554 K HA 0.450 4.770 4.320 -0.000 0.000 0.255 1554 K C -0.893 175.826 176.600 0.199 0.000 0.941 1554 K CA -0.607 55.789 56.287 0.182 0.000 0.825 1554 K CB 2.047 34.628 32.500 0.135 0.000 1.119 1554 K HN 0.192 nan 8.250 nan 0.000 0.430 1555 V N 4.598 124.603 119.914 0.152 0.000 2.763 1555 V HA -0.040 4.080 4.120 -0.000 0.000 0.306 1555 V C 0.690 176.848 176.094 0.107 0.000 1.059 1555 V CA 0.284 62.666 62.300 0.137 0.000 1.138 1555 V CB 0.353 32.237 31.823 0.102 0.000 0.940 1555 V HN 0.921 nan 8.190 nan 0.000 0.489 1556 N N 2.095 120.858 118.700 0.105 0.000 2.741 1556 N HA -0.154 4.586 4.740 -0.000 0.000 0.250 1556 N C -0.174 175.408 175.510 0.120 0.000 1.115 1556 N CA 0.937 54.039 53.050 0.086 0.000 0.724 1556 N CB -0.389 38.131 38.487 0.055 0.000 1.090 1556 N HN 0.825 nan 8.380 nan 0.000 0.558 1557 D N 0.137 120.566 120.400 0.048 0.000 2.385 1557 D HA 0.399 5.038 4.640 -0.000 0.000 0.254 1557 D C -0.085 175.941 176.300 -0.457 0.000 1.053 1557 D CA -0.085 53.838 54.000 -0.127 0.000 0.992 1557 D CB 0.823 41.463 40.800 -0.267 0.000 1.145 1557 D HN -0.047 nan 8.370 nan 0.000 0.523 1558 D N -0.259 119.703 120.400 -0.731 0.000 2.228 1558 D HA 0.413 5.053 4.640 -0.000 0.000 0.247 1558 D C -0.813 175.100 176.300 -0.646 0.000 0.995 1558 D CA -0.117 53.530 54.000 -0.589 0.000 0.903 1558 D CB 0.917 41.357 40.800 -0.601 0.000 1.205 1558 D HN 0.231 nan 8.370 nan 0.000 0.459 1559 Y N -0.089 120.240 120.300 0.048 0.000 2.504 1559 Y HA 0.318 4.868 4.550 -0.000 0.000 0.344 1559 Y C -0.538 175.561 175.900 0.333 0.000 1.023 1559 Y CA -1.135 57.061 58.100 0.160 0.000 1.020 1559 Y CB 1.606 40.082 38.460 0.027 0.000 1.282 1559 Y HN 0.124 nan 8.280 nan 0.000 0.454 1560 L N 4.928 126.540 121.223 0.648 0.000 2.302 1560 L HA 0.556 4.896 4.340 -0.000 0.000 0.285 1560 L C -1.197 175.927 176.870 0.424 0.000 1.090 1560 L CA 0.010 55.242 54.840 0.652 0.000 0.866 1560 L CB -0.606 41.864 42.059 0.685 0.000 1.244 1560 L HN 0.470 nan 8.230 nan 0.000 0.435 1561 I N 5.184 125.968 120.570 0.355 0.000 2.354 1561 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 1561 I C -1.126 175.203 176.117 0.353 0.000 0.989 1561 I CA -0.555 60.871 61.300 0.209 0.000 1.188 1561 I CB 1.102 39.123 38.000 0.035 0.000 1.342 1561 I HN 0.732 nan 8.210 nan 0.000 0.457 1562 W N 6.137 127.540 121.300 0.173 0.000 2.957 1562 W HA 0.870 5.530 4.660 -0.000 0.000 0.336 1562 W C -0.718 175.679 176.519 -0.203 0.000 1.087 1562 W CA -1.268 56.041 57.345 -0.060 0.000 1.235 1562 W CB 0.647 30.041 29.460 -0.111 0.000 1.399 1562 W HN 0.531 nan 8.180 nan 0.000 0.480 1563 G N 0.868 109.388 108.800 -0.467 0.000 3.086 1563 G HA2 0.598 4.558 3.960 -0.000 0.000 0.282 1563 G HA3 0.598 4.558 3.960 -0.000 0.000 0.282 1563 G C -1.466 173.183 174.900 -0.419 0.000 1.343 1563 G CA -0.948 43.977 45.100 -0.290 0.000 0.895 1563 G HN 0.749 nan 8.290 nan 0.000 0.557 1564 S N -1.282 114.383 115.700 -0.059 0.000 2.482 1564 S HA 0.417 4.887 4.470 -0.000 0.000 0.303 1564 S C 1.294 176.013 174.600 0.197 0.000 1.091 1564 S CA -0.483 57.733 58.200 0.027 0.000 1.057 1564 S CB 1.839 65.082 63.200 0.072 0.000 1.031 1564 S HN 0.578 nan 8.310 nan 0.000 0.485 1565 R N 3.081 123.695 120.500 0.191 0.000 2.133 1565 R HA -0.072 4.268 4.340 -0.000 0.000 0.247 1565 R C 2.049 178.473 176.300 0.207 0.000 1.151 1565 R CA 2.458 58.716 56.100 0.265 0.000 0.971 1565 R CB -1.335 29.067 30.300 0.170 0.000 0.866 1565 R HN 0.712 nan 8.270 nan 0.000 0.447 1566 S N 0.767 116.552 115.700 0.142 0.000 2.392 1566 S HA -0.157 4.313 4.470 -0.000 0.000 0.232 1566 S C 0.871 175.537 174.600 0.110 0.000 1.041 1566 S CA 1.693 59.953 58.200 0.101 0.000 1.026 1566 S CB -0.312 62.936 63.200 0.080 0.000 0.845 1566 S HN 0.433 nan 8.310 nan 0.000 0.465 1567 D N 0.890 121.401 120.400 0.185 0.000 2.319 1567 D HA 0.158 4.798 4.640 -0.000 0.000 0.230 1567 D C 0.107 176.482 176.300 0.125 0.000 1.094 1567 D CA -0.033 54.082 54.000 0.190 0.000 0.856 1567 D CB -0.290 40.671 40.800 0.268 0.000 0.915 1567 D HN 0.272 nan 8.370 nan 0.000 0.517 1568 L N 1.129 122.347 121.223 -0.008 0.000 2.410 1568 L HA 0.165 4.505 4.340 -0.000 0.000 0.273 1568 L C -0.505 176.226 176.870 -0.232 0.000 1.152 1568 L CA -0.008 54.617 54.840 -0.359 0.000 0.855 1568 L CB 0.509 42.389 42.059 -0.298 0.000 1.129 1568 L HN -0.153 nan 8.230 nan 0.000 0.463 1569 L N 7.252 128.302 121.223 -0.288 0.000 2.322 1569 L HA 0.486 4.826 4.340 -0.000 0.000 0.279 1569 L C -1.681 175.101 176.870 -0.148 0.000 1.036 1569 L CA -1.794 52.950 54.840 -0.161 0.000 0.807 1569 L CB 1.563 43.547 42.059 -0.126 0.000 1.226 1569 L HN 0.584 nan 8.230 nan 0.000 0.433 1570 P HA 0.064 nan 4.420 nan 0.000 0.231 1570 P C -0.718 176.541 177.300 -0.069 0.000 1.756 1570 P CA -0.171 62.884 63.100 -0.075 0.000 0.990 1570 P CB -0.448 31.222 31.700 -0.049 0.000 1.973 1571 T N 1.296 115.797 114.554 -0.087 0.000 2.795 1571 T HA 0.205 4.555 4.350 -0.000 0.000 0.282 1571 T C 0.160 174.819 174.700 -0.069 0.000 0.980 1571 T CA -0.576 61.481 62.100 -0.072 0.000 1.012 1571 T CB 1.596 70.417 68.868 -0.078 0.000 0.936 1571 T HN 0.114 nan 8.240 nan 0.000 0.457 1572 K N 2.313 122.683 120.400 -0.051 0.000 2.322 1572 K HA 0.053 4.373 4.320 -0.000 0.000 0.283 1572 K C -0.199 176.374 176.600 -0.046 0.000 1.042 1572 K CA -0.059 56.201 56.287 -0.045 0.000 0.958 1572 K CB 0.279 32.760 32.500 -0.032 0.000 0.984 1572 K HN 0.613 nan 8.250 nan 0.000 0.473 1573 D N 2.199 122.570 120.400 -0.048 0.000 3.012 1573 D HA -0.174 4.466 4.640 -0.000 0.000 0.222 1573 D C -1.089 175.177 176.300 -0.056 0.000 1.167 1573 D CA 1.287 55.260 54.000 -0.045 0.000 0.854 1573 D CB -0.610 40.171 40.800 -0.031 0.000 1.107 1573 D HN 0.571 nan 8.370 nan 0.000 0.421 1574 K N 0.149 120.503 120.400 -0.077 0.000 2.619 1574 K HA 0.291 4.611 4.320 -0.000 0.000 0.251 1574 K C -0.266 176.243 176.600 -0.151 0.000 0.987 1574 K CA -0.789 55.441 56.287 -0.095 0.000 0.844 1574 K CB 1.905 34.365 32.500 -0.068 0.000 1.237 1574 K HN -0.117 nan 8.250 nan 0.000 0.447 1575 I N 2.884 123.324 120.570 -0.217 0.000 2.581 1575 I HA 0.033 4.203 4.170 -0.000 0.000 0.285 1575 I C 0.046 175.983 176.117 -0.301 0.000 1.129 1575 I CA 0.673 61.779 61.300 -0.324 0.000 1.397 1575 I CB 0.017 37.705 38.000 -0.520 0.000 1.399 1575 I HN 0.499 nan 8.210 nan 0.000 0.537 1576 S N 6.448 121.936 115.700 -0.353 0.000 2.526 1576 S HA 0.711 5.181 4.470 -0.000 0.000 0.293 1576 S C -0.980 173.343 174.600 -0.461 0.000 1.092 1576 S CA -0.552 57.485 58.200 -0.272 0.000 0.980 1576 S CB 1.998 65.104 63.200 -0.157 0.000 1.048 1576 S HN 0.345 nan 8.310 nan 0.000 0.483 1577 Y N 0.691 120.840 120.300 -0.251 0.000 2.536 1577 Y HA 0.589 5.139 4.550 -0.000 0.000 0.347 1577 Y C -0.216 175.670 175.900 -0.024 0.000 1.000 1577 Y CA -1.056 56.945 58.100 -0.165 0.000 1.051 1577 Y CB 1.029 39.305 38.460 -0.308 0.000 1.259 1577 Y HN 0.482 nan 8.280 nan 0.000 0.468 1578 I N 3.542 124.232 120.570 0.201 0.000 2.331 1578 I HA 0.308 4.478 4.170 -0.000 0.000 0.292 1578 I C -0.403 175.853 176.117 0.232 0.000 0.998 1578 I CA -0.327 61.078 61.300 0.174 0.000 1.267 1578 I CB 0.655 38.720 38.000 0.108 0.000 1.386 1578 I HN 0.349 nan 8.210 nan 0.000 0.476 1579 I N 6.165 126.872 120.570 0.229 0.000 2.533 1579 I HA 0.144 4.314 4.170 -0.000 0.000 0.284 1579 I C 0.309 176.495 176.117 0.114 0.000 1.109 1579 I CA 0.657 62.075 61.300 0.195 0.000 1.412 1579 I CB 0.252 38.344 38.000 0.154 0.000 1.396 1579 I HN 0.674 nan 8.210 nan 0.000 0.543 1580 T N 4.612 119.224 114.554 0.096 0.000 2.864 1580 T HA 0.259 4.609 4.350 -0.000 0.000 0.289 1580 T C 0.748 175.466 174.700 0.029 0.000 1.082 1580 T CA -0.925 61.212 62.100 0.061 0.000 1.009 1580 T CB 1.844 70.760 68.868 0.080 0.000 1.234 1580 T HN 0.434 nan 8.240 nan 0.000 0.526 1581 K N 0.585 120.995 120.400 0.018 0.000 2.442 1581 K HA 0.035 4.355 4.320 -0.000 0.000 0.198 1581 K C 1.062 177.689 176.600 0.044 0.000 1.042 1581 K CA 0.537 56.829 56.287 0.009 0.000 0.958 1581 K CB 0.040 32.544 32.500 0.005 0.000 0.766 1581 K HN 0.209 nan 8.250 nan 0.000 0.474 1582 N N 0.686 119.425 118.700 0.066 0.000 2.314 1582 N HA 0.001 4.741 4.740 -0.000 0.000 0.200 1582 N C -0.732 174.848 175.510 0.116 0.000 1.135 1582 N CA 0.460 53.570 53.050 0.101 0.000 0.835 1582 N CB 0.694 39.238 38.487 0.095 0.000 0.989 1582 N HN -0.034 nan 8.380 nan 0.000 0.478 1583 T N -0.007 114.590 114.554 0.072 0.000 2.807 1583 T HA 0.185 4.535 4.350 -0.000 0.000 0.279 1583 T C -1.022 173.630 174.700 -0.080 0.000 0.993 1583 T CA -0.609 61.513 62.100 0.037 0.000 0.970 1583 T CB 1.734 70.650 68.868 0.081 0.000 0.950 1583 T HN 0.095 nan 8.240 nan 0.000 0.441 1584 W N 5.885 126.889 121.300 -0.494 0.000 2.376 1584 W HA 0.643 5.303 4.660 -0.000 0.000 0.312 1584 W C -1.919 174.256 176.519 -0.574 0.000 1.060 1584 W CA -1.313 55.584 57.345 -0.747 0.000 1.221 1584 W CB 0.430 28.857 29.460 -1.722 0.000 1.281 1584 W HN 0.535 nan 8.180 nan 0.000 0.456 1585 I N 4.998 125.250 120.570 -0.529 0.000 2.466 1585 I HA 0.310 4.480 4.170 -0.000 0.000 0.289 1585 I C -0.538 175.392 176.117 -0.311 0.000 1.026 1585 I CA -0.710 60.404 61.300 -0.309 0.000 1.078 1585 I CB 2.502 40.283 38.000 -0.365 0.000 1.249 1585 I HN 0.360 nan 8.210 nan 0.000 0.429 1586 E N 5.288 125.512 120.200 0.040 0.000 2.314 1586 E HA 0.383 4.733 4.350 -0.000 0.000 0.272 1586 E C -0.956 175.861 176.600 0.361 0.000 0.884 1586 E CA -0.937 55.553 56.400 0.151 0.000 0.753 1586 E CB 2.495 32.362 29.700 0.277 0.000 1.213 1586 E HN 0.474 nan 8.360 nan 0.000 0.432 1587 R N 3.259 123.930 120.500 0.285 0.000 2.401 1587 R HA 0.061 4.401 4.340 -0.000 0.000 0.299 1587 R C -1.074 175.248 176.300 0.036 0.000 1.064 1587 R CA -0.221 55.985 56.100 0.176 0.000 1.000 1587 R CB 0.530 30.911 30.300 0.135 0.000 0.973 1587 R HN 0.458 nan 8.270 nan 0.000 0.438 1588 W N 8.316 129.430 121.300 -0.310 0.000 2.294 1588 W HA 0.338 4.998 4.660 -0.000 0.000 0.314 1588 W C -2.504 173.637 176.519 -0.630 0.000 1.044 1588 W CA -3.165 53.839 57.345 -0.569 0.000 1.284 1588 W CB 1.130 30.384 29.460 -0.343 0.000 1.231 1588 W HN 0.500 nan 8.180 nan 0.000 0.419 1589 P HA -0.079 nan 4.420 nan 0.000 0.262 1589 P C 0.370 177.555 177.300 -0.192 0.000 1.182 1589 P CA 0.925 63.790 63.100 -0.390 0.000 0.761 1589 P CB 0.367 31.769 31.700 -0.496 0.000 0.795 1590 H N 1.922 120.851 119.070 -0.235 0.000 2.801 1590 H HA -0.043 4.513 4.556 -0.000 0.000 0.377 1590 H C 1.349 176.611 175.328 -0.111 0.000 1.304 1590 H CA 0.264 56.215 56.048 -0.161 0.000 1.451 1590 H CB 0.715 30.377 29.762 -0.166 0.000 1.474 1590 H HN 0.552 nan 8.280 nan 0.000 0.620 1591 E N 1.141 121.376 120.200 0.058 0.000 2.072 1591 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 1591 E C 1.024 177.640 176.600 0.027 0.000 0.982 1591 E CA 1.174 57.595 56.400 0.034 0.000 0.803 1591 E CB -0.128 29.585 29.700 0.021 0.000 0.755 1591 E HN 0.700 nan 8.360 nan 0.000 0.453 1592 D N -0.119 120.293 120.400 0.020 0.000 2.378 1592 D HA -0.117 4.523 4.640 -0.000 0.000 0.227 1592 D C 1.169 177.469 176.300 0.001 0.000 1.012 1592 D CA 0.494 54.495 54.000 0.002 0.000 0.905 1592 D CB -0.218 40.568 40.800 -0.024 0.000 0.895 1592 D HN 0.310 nan 8.370 nan 0.000 0.532 1593 E N -0.778 119.415 120.200 -0.012 0.000 2.340 1593 E HA 0.061 4.411 4.350 -0.000 0.000 0.198 1593 E C 1.468 178.098 176.600 0.050 0.000 0.961 1593 E CA -0.008 56.369 56.400 -0.038 0.000 0.905 1593 E CB 0.102 29.636 29.700 -0.277 0.000 0.884 1593 E HN 0.225 nan 8.360 nan 0.000 0.491 1594 c N 2.018 120.640 118.600 0.036 0.000 2.409 1594 c HA -0.090 4.480 4.570 -0.000 0.000 0.288 1594 c C 2.399 176.553 174.090 0.107 0.000 1.395 1594 c CA 0.546 56.928 56.329 0.089 0.000 1.792 1594 c CB -0.654 41.896 42.510 0.067 0.000 1.847 1594 c HN 0.423 nan 8.230 nan 0.000 0.534 1595 Q N 1.225 121.077 119.800 0.088 0.000 1.994 1595 Q HA -0.028 4.312 4.340 -0.000 0.000 0.198 1595 Q C 0.763 176.819 176.000 0.093 0.000 0.976 1595 Q CA 0.851 56.699 55.803 0.075 0.000 0.828 1595 Q CB -0.780 27.990 28.738 0.053 0.000 0.894 1595 Q HN 0.704 nan 8.270 nan 0.000 0.432 1596 E N 1.948 122.223 120.200 0.125 0.000 2.694 1596 E HA -0.121 4.229 4.350 -0.000 0.000 0.250 1596 E C 0.748 177.417 176.600 0.115 0.000 0.963 1596 E CA 0.058 56.537 56.400 0.132 0.000 0.949 1596 E CB 0.283 30.105 29.700 0.204 0.000 0.911 1596 E HN 0.277 nan 8.360 nan 0.000 0.500 1597 E N 3.812 124.041 120.200 0.048 0.000 2.219 1597 E HA -0.318 4.032 4.350 -0.000 0.000 0.198 1597 E C 1.674 178.252 176.600 -0.036 0.000 0.998 1597 E CA 1.567 57.977 56.400 0.017 0.000 0.818 1597 E CB 0.097 29.797 29.700 -0.000 0.000 0.741 1597 E HN 0.641 nan 8.360 nan 0.000 0.477 1598 E N -1.193 118.938 120.200 -0.114 0.000 2.273 1598 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 1598 E C 0.618 176.906 176.600 -0.521 0.000 1.002 1598 E CA 1.153 57.336 56.400 -0.361 0.000 0.828 1598 E CB -0.018 29.357 29.700 -0.541 0.000 0.747 1598 E HN 0.445 nan 8.360 nan 0.000 0.491 1599 F N -0.969 118.989 119.950 0.015 0.000 2.746 1599 F HA 0.205 4.732 4.527 -0.000 0.000 0.320 1599 F C 1.952 177.755 175.800 0.004 0.000 1.097 1599 F CA -0.511 57.492 58.000 0.004 0.000 1.195 1599 F CB 0.261 39.259 39.000 -0.004 0.000 1.056 1599 F HN -0.067 nan 8.300 nan 0.000 0.562 1600 Q N 1.529 121.415 119.800 0.144 0.000 1.927 1600 Q HA -0.258 4.082 4.340 -0.000 0.000 0.210 1600 Q C 1.777 177.832 176.000 0.091 0.000 1.001 1600 Q CA 2.226 58.092 55.803 0.105 0.000 0.862 1600 Q CB 0.003 28.781 28.738 0.067 0.000 0.934 1600 Q HN 0.241 nan 8.270 nan 0.000 0.420 1601 K N 0.078 120.518 120.400 0.066 0.000 2.360 1601 K HA -0.141 4.179 4.320 -0.000 0.000 0.201 1601 K C 1.928 178.575 176.600 0.077 0.000 1.046 1601 K CA 0.685 57.008 56.287 0.059 0.000 0.945 1601 K CB -0.119 32.404 32.500 0.037 0.000 0.750 1601 K HN 0.204 nan 8.250 nan 0.000 0.464 1602 L N 0.142 121.424 121.223 0.098 0.000 2.056 1602 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 1602 L C 1.871 178.853 176.870 0.186 0.000 1.078 1602 L CA 1.566 56.489 54.840 0.138 0.000 0.749 1602 L CB -0.259 41.892 42.059 0.152 0.000 0.901 1602 L HN 0.194 nan 8.230 nan 0.000 0.433 1603 c N -0.258 118.411 118.600 0.116 0.000 2.432 1603 c HA -0.096 4.474 4.570 -0.000 0.000 0.280 1603 c C 2.304 176.486 174.090 0.152 0.000 1.353 1603 c CA 0.535 56.915 56.329 0.085 0.000 1.766 1603 c CB -1.013 41.537 42.510 0.066 0.000 1.924 1603 c HN 0.590 nan 8.230 nan 0.000 0.509 1604 D N 0.932 121.406 120.400 0.124 0.000 2.097 1604 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 1604 D C 1.739 178.108 176.300 0.116 0.000 0.984 1604 D CA 1.283 55.348 54.000 0.109 0.000 0.826 1604 D CB -0.541 40.304 40.800 0.076 0.000 0.973 1604 D HN 0.451 nan 8.370 nan 0.000 0.460 1605 D N -0.291 120.167 120.400 0.095 0.000 2.178 1605 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 1605 D C 1.973 178.286 176.300 0.022 0.000 0.980 1605 D CA 0.402 54.429 54.000 0.045 0.000 0.842 1605 D CB -0.305 40.486 40.800 -0.015 0.000 0.948 1605 D HN 0.207 nan 8.370 nan 0.000 0.472 1606 F N 1.380 121.270 119.950 -0.099 0.000 2.134 1606 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 1606 F C 2.469 178.293 175.800 0.040 0.000 1.097 1606 F CA 1.216 59.086 58.000 -0.218 0.000 1.264 1606 F CB -0.144 38.505 39.000 -0.585 0.000 1.001 1606 F HN -0.083 nan 8.300 nan 0.000 0.479 1607 A N -0.788 122.207 122.820 0.291 0.000 1.872 1607 A HA -0.238 4.082 4.320 -0.000 0.000 0.214 1607 A C 2.062 179.794 177.584 0.247 0.000 1.187 1607 A CA 1.446 53.656 52.037 0.289 0.000 0.614 1607 A CB -0.953 18.172 19.000 0.209 0.000 0.826 1607 A HN 0.433 nan 8.150 nan 0.000 0.442 1608 Q N -2.009 117.910 119.800 0.197 0.000 2.443 1608 Q HA -0.172 4.168 4.340 -0.000 0.000 0.213 1608 Q C 1.484 177.632 176.000 0.247 0.000 0.982 1608 Q CA 1.376 57.301 55.803 0.202 0.000 0.894 1608 Q CB -0.167 28.658 28.738 0.145 0.000 0.947 1608 Q HN 0.707 nan 8.270 nan 0.000 0.480 1609 F N -0.673 119.311 119.950 0.056 0.000 2.222 1609 F HA 0.041 4.568 4.527 -0.000 0.000 0.285 1609 F C 2.397 178.239 175.800 0.070 0.000 1.068 1609 F CA 1.335 59.334 58.000 -0.002 0.000 1.265 1609 F CB -0.771 38.134 39.000 -0.159 0.000 1.087 1609 F HN -0.028 nan 8.300 nan 0.000 0.511 1610 S N -0.784 114.961 115.700 0.075 0.000 2.419 1610 S HA -0.272 4.198 4.470 -0.000 0.000 0.235 1610 S C 1.996 176.606 174.600 0.017 0.000 1.019 1610 S CA 1.614 59.845 58.200 0.052 0.000 0.982 1610 S CB -0.863 62.580 63.200 0.406 0.000 0.789 1610 S HN 0.593 nan 8.310 nan 0.000 0.490 1611 Y N 1.801 122.078 120.300 -0.037 0.000 2.177 1611 Y HA 0.041 4.591 4.550 -0.000 0.000 0.291 1611 Y C 2.570 178.375 175.900 -0.157 0.000 1.117 1611 Y CA 2.076 60.128 58.100 -0.080 0.000 1.114 1611 Y CB -0.963 37.481 38.460 -0.026 0.000 1.017 1611 Y HN 0.216 nan 8.280 nan 0.000 0.505 1612 T N 1.537 116.054 114.554 -0.062 0.000 2.822 1612 T HA -0.218 4.132 4.350 -0.000 0.000 0.270 1612 T C 1.934 176.538 174.700 -0.160 0.000 1.064 1612 T CA 1.848 63.932 62.100 -0.026 0.000 1.131 1612 T CB -0.418 68.545 68.868 0.158 0.000 0.858 1612 T HN 0.310 nan 8.240 nan 0.000 0.483 1613 L N 0.604 121.651 121.223 -0.293 0.000 2.130 1613 L HA -0.012 4.328 4.340 -0.000 0.000 0.200 1613 L C 3.007 179.712 176.870 -0.276 0.000 1.075 1613 L CA 1.389 56.047 54.840 -0.302 0.000 0.768 1613 L CB -0.538 41.246 42.059 -0.458 0.000 0.933 1613 L HN 0.349 nan 8.230 nan 0.000 0.451 1614 T N -3.714 110.668 114.554 -0.287 0.000 3.007 1614 T HA -0.172 4.178 4.350 -0.000 0.000 0.270 1614 T C 1.514 176.012 174.700 -0.337 0.000 1.107 1614 T CA 1.328 63.287 62.100 -0.235 0.000 1.118 1614 T CB 0.064 68.841 68.868 -0.152 0.000 0.889 1614 T HN 0.148 nan 8.240 nan 0.000 0.506 1615 E N 0.248 120.093 120.200 -0.592 0.000 2.132 1615 E HA 0.289 4.639 4.350 -0.000 0.000 0.193 1615 E C 1.244 177.421 176.600 -0.705 0.000 0.951 1615 E CA 0.471 56.360 56.400 -0.851 0.000 0.843 1615 E CB -0.105 28.591 29.700 -1.674 0.000 0.807 1615 E HN 0.656 nan 8.360 nan 0.000 0.467 1616 F N -0.427 119.367 119.950 -0.261 0.000 2.678 1616 F HA 0.407 4.934 4.527 -0.000 0.000 0.291 1616 F C 1.349 177.064 175.800 -0.141 0.000 1.123 1616 F CA 0.072 57.968 58.000 -0.172 0.000 1.395 1616 F CB 0.550 39.459 39.000 -0.153 0.000 1.121 1616 F HN 0.197 nan 8.300 nan 0.000 0.592 1617 G N 0.455 109.241 108.800 -0.024 0.000 2.698 1617 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.233 1617 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.233 1617 G C -0.420 174.455 174.900 -0.042 0.000 1.352 1617 G CA -0.954 44.113 45.100 -0.055 0.000 0.879 1617 G HN 0.279 nan 8.290 nan 0.000 0.567 1618 c N 1.058 119.617 118.600 -0.068 0.000 2.656 1618 c HA 0.444 5.014 4.570 -0.000 0.000 0.391 1618 c C 0.340 174.397 174.090 -0.054 0.000 1.300 1618 c CA 0.229 56.512 56.329 -0.076 0.000 2.302 1618 c CB 0.660 43.112 42.510 -0.097 0.000 2.655 1618 c HN 0.731 nan 8.230 nan 0.000 0.656 1619 P HA 0.000 nan 4.420 nan 0.000 0.217 1619 P C 0.579 177.847 177.300 -0.053 0.000 1.151 1619 P CA 1.189 64.254 63.100 -0.057 0.000 0.828 1619 P CB -0.059 31.605 31.700 -0.060 0.000 0.788 1620 T N 0.000 114.522 114.554 -0.054 0.000 3.816 1620 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1620 T CA 0.000 62.072 62.100 -0.047 0.000 1.349 1620 T CB 0.000 68.840 68.868 -0.047 0.000 0.612 1620 T HN 0.000 nan 8.240 nan 0.000 0.658