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 3frp_1_B DATA FIRST_RESID 1251 DATA SEQUENCE LNLDITIELP DREVPIRYRI NXXXXXXXRT VETKLNQDIT VTASXXXXAT DATA SEQUENCE MTILTFYNAQ XXXXXXVcNK FHLNVSVENI HXXXXXXXXA LMLKIcTRYL DATA SEQUENCE GEVDSTMTII DISMLTGFLP DAEDLTRLSK GVDRYISRYE VDNNMAQKVA DATA SEQUENCE VIIYLNKVSH SEDEcLHFKI LKHFEVGFIQ PGSVKVYSYY NLDEKcTKFY DATA SEQUENCE HPDKGTGLLN KIcIGNVcRC AGETcSSLNH QERIDVPLQI EKAcETNVDY DATA SEQUENCE VYKTKLLRIE EQDGNDIYVM DVLEVIKQGT DENPRAKTHQ YISQRKcQEA DATA SEQUENCE LNLKVNDDYL IWGSRSDLLP TKDKISYIIT KNTWIERWPH EDEcQEEEFQ DATA SEQUENCE KLcDDFAQFS YTLTEFGc 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 1251 L HA 0.000 nan 4.340 nan 0.000 0.249 1251 L C 0.000 176.871 176.870 0.002 0.000 1.165 1251 L CA 0.000 54.841 54.840 0.002 0.000 0.813 1251 L CB 0.000 42.061 42.059 0.003 0.000 0.961 1252 N N 2.697 121.398 118.700 0.002 0.000 2.672 1252 N HA 0.489 5.230 4.740 0.003 0.000 0.295 1252 N C -1.219 174.292 175.510 0.002 0.000 1.924 1252 N CA -0.151 52.900 53.050 0.002 0.000 0.851 1252 N CB 0.498 38.986 38.487 0.002 0.000 1.281 1252 N HN 0.510 nan 8.380 nan 0.000 0.494 1253 L N -0.428 120.797 121.223 0.002 0.000 2.469 1253 L HA 0.548 4.890 4.340 0.003 0.000 0.253 1253 L C -0.091 176.780 176.870 0.002 0.000 1.143 1253 L CA -0.643 54.199 54.840 0.002 0.000 0.804 1253 L CB 0.717 42.777 42.059 0.003 0.000 1.214 1253 L HN 0.201 nan 8.230 nan 0.000 0.476 1254 D N 0.919 121.321 120.400 0.002 0.000 2.452 1254 D HA 0.331 4.972 4.640 0.003 0.000 0.226 1254 D C -1.220 175.081 176.300 0.003 0.000 1.366 1254 D CA -0.323 53.679 54.000 0.002 0.000 0.986 1254 D CB 0.876 41.677 40.800 0.002 0.000 1.420 1254 D HN 0.091 nan 8.370 nan 0.000 0.583 1255 I N 1.372 121.944 120.570 0.003 0.000 2.822 1255 I HA 0.658 4.830 4.170 0.003 0.000 0.312 1255 I C 0.527 176.646 176.117 0.003 0.000 1.011 1255 I CA -0.621 60.681 61.300 0.003 0.000 1.105 1255 I CB 1.670 39.672 38.000 0.004 0.000 1.291 1255 I HN 0.516 nan 8.210 nan 0.000 0.474 1256 T N 4.463 119.019 114.554 0.003 0.000 3.705 1256 T HA 0.580 4.932 4.350 0.003 0.000 0.342 1256 T C -1.267 173.435 174.700 0.003 0.000 1.043 1256 T CA -0.415 61.687 62.100 0.003 0.000 1.071 1256 T CB 0.399 69.268 68.868 0.002 0.000 1.124 1256 T HN 0.333 nan 8.240 nan 0.000 0.467 1257 I N 3.701 124.274 120.570 0.004 0.000 2.404 1257 I HA 0.508 4.680 4.170 0.003 0.000 0.293 1257 I C 0.252 176.372 176.117 0.004 0.000 0.992 1257 I CA -0.885 60.418 61.300 0.004 0.000 1.149 1257 I CB 1.975 39.978 38.000 0.006 0.000 1.315 1257 I HN 0.574 nan 8.210 nan 0.000 0.446 1258 E N 5.859 126.061 120.200 0.003 0.000 2.151 1258 E HA 0.555 4.907 4.350 0.003 0.000 0.275 1258 E C -1.395 175.207 176.600 0.003 0.000 0.936 1258 E CA -0.789 55.612 56.400 0.003 0.000 0.777 1258 E CB 2.226 31.927 29.700 0.001 0.000 1.108 1258 E HN 0.294 nan 8.360 nan 0.000 0.401 1259 L N 5.369 126.594 121.223 0.004 0.000 2.349 1259 L HA 0.287 4.629 4.340 0.003 0.000 0.278 1259 L C -1.707 175.165 176.870 0.003 0.000 0.996 1259 L CA -1.746 53.097 54.840 0.004 0.000 0.825 1259 L CB 1.595 43.658 42.059 0.006 0.000 1.243 1259 L HN 0.385 nan 8.230 nan 0.000 0.412 1260 P HA -0.202 nan 4.420 nan 0.000 0.218 1260 P C 0.792 178.094 177.300 0.002 0.000 1.146 1260 P CA 1.071 64.172 63.100 0.001 0.000 0.820 1260 P CB 0.488 32.188 31.700 -0.000 0.000 0.778 1261 D N 0.161 120.564 120.400 0.004 0.000 2.119 1261 D HA -0.136 4.506 4.640 0.003 0.000 0.199 1261 D C 1.101 177.404 176.300 0.005 0.000 0.987 1261 D CA 1.375 55.379 54.000 0.005 0.000 0.858 1261 D CB -0.756 40.049 40.800 0.008 0.000 1.008 1261 D HN -0.033 nan 8.370 nan 0.000 0.450 1262 R N 0.894 121.397 120.500 0.005 0.000 2.590 1262 R HA 0.155 4.497 4.340 0.003 0.000 0.274 1262 R C 1.241 177.543 176.300 0.003 0.000 1.061 1262 R CA 0.491 56.594 56.100 0.005 0.000 1.081 1262 R CB -0.591 29.712 30.300 0.005 0.000 0.984 1262 R HN 0.509 nan 8.270 nan 0.000 0.448 1263 E N 0.578 120.780 120.200 0.003 0.000 2.285 1263 E HA 0.012 4.364 4.350 0.003 0.000 0.194 1263 E C -0.171 176.431 176.600 0.002 0.000 0.997 1263 E CA 0.782 57.184 56.400 0.002 0.000 0.845 1263 E CB 0.476 30.177 29.700 0.002 0.000 0.782 1263 E HN 0.383 nan 8.360 nan 0.000 0.491 1264 V N 3.842 123.758 119.914 0.003 0.000 2.448 1264 V HA 0.218 4.340 4.120 0.003 0.000 0.295 1264 V C -2.017 174.079 176.094 0.003 0.000 1.025 1264 V CA -1.754 60.548 62.300 0.003 0.000 0.859 1264 V CB 1.630 33.455 31.823 0.003 0.000 0.988 1264 V HN 0.069 nan 8.190 nan 0.000 0.431 1265 P HA 0.460 nan 4.420 nan 0.000 0.272 1265 P C -0.432 176.870 177.300 0.004 0.000 1.240 1265 P CA -0.064 63.038 63.100 0.003 0.000 0.791 1265 P CB 0.900 32.601 31.700 0.003 0.000 0.978 1266 I N -0.783 119.790 120.570 0.005 0.000 2.493 1266 I HA 0.781 4.953 4.170 0.003 0.000 0.298 1266 I C 0.491 176.611 176.117 0.005 0.000 0.998 1266 I CA -1.251 60.052 61.300 0.005 0.000 1.137 1266 I CB 0.914 38.918 38.000 0.006 0.000 1.310 1266 I HN 0.716 nan 8.210 nan 0.000 0.445 1267 R N 2.690 123.193 120.500 0.004 0.000 2.686 1267 R HA 0.982 5.323 4.340 0.003 0.000 0.286 1267 R C -0.849 175.454 176.300 0.004 0.000 0.969 1267 R CA -0.037 56.065 56.100 0.004 0.000 0.898 1267 R CB 0.885 31.187 30.300 0.003 0.000 1.183 1267 R HN 2.716 nan 8.270 nan 0.000 0.456 1268 Y N 1.158 121.460 120.300 0.004 0.000 2.358 1268 Y HA 0.633 5.185 4.550 0.003 0.000 0.324 1268 Y C -0.085 175.818 175.900 0.004 0.000 1.123 1268 Y CA -1.365 56.738 58.100 0.005 0.000 1.067 1268 Y CB 1.406 39.869 38.460 0.006 0.000 1.230 1268 Y HN 0.847 nan 8.280 nan 0.000 0.429 1269 R N 3.135 123.638 120.500 0.004 0.000 2.429 1269 R HA 0.476 4.817 4.340 0.003 0.000 0.302 1269 R C 0.428 176.730 176.300 0.004 0.000 1.268 1269 R CA 0.410 56.513 56.100 0.004 0.000 1.090 1269 R CB 0.047 30.349 30.300 0.003 0.000 1.102 1269 R HN 0.894 nan 8.270 nan 0.000 0.522 1270 I N 2.520 123.092 120.570 0.004 0.000 2.471 1270 I HA 0.072 4.243 4.170 0.003 0.000 0.294 1270 I C 0.015 176.134 176.117 0.004 0.000 1.123 1270 I CA -0.071 61.232 61.300 0.004 0.000 1.336 1270 I CB -0.701 37.301 38.000 0.004 0.000 1.430 1270 I HN 0.683 nan 8.210 nan 0.000 0.533 1280 T N -0.674 113.890 114.554 0.016 0.000 2.900 1280 T HA 1.101 5.453 4.350 0.003 0.000 0.303 1280 T C -0.398 174.313 174.700 0.019 0.000 1.142 1280 T CA -0.059 62.053 62.100 0.020 0.000 1.007 1280 T CB 1.277 70.159 68.868 0.023 0.000 1.156 1280 T HN 2.378 nan 8.240 nan 0.000 0.490 1281 V N -0.634 119.294 119.914 0.022 0.000 2.852 1281 V HA 0.949 5.071 4.120 0.003 0.000 0.300 1281 V C -0.650 175.461 176.094 0.028 0.000 1.205 1281 V CA -0.294 62.018 62.300 0.021 0.000 0.940 1281 V CB 0.974 32.807 31.823 0.017 0.000 1.047 1281 V HN 1.492 nan 8.190 nan 0.000 0.429 1282 E N 2.469 122.685 120.200 0.026 0.000 2.238 1282 E HA 1.003 5.355 4.350 0.003 0.000 0.267 1282 E C -0.019 176.598 176.600 0.030 0.000 0.887 1282 E CA 0.045 56.466 56.400 0.034 0.000 0.769 1282 E CB 1.678 31.397 29.700 0.032 0.000 1.187 1282 E HN 2.390 nan 8.360 nan 0.000 0.416 1283 T N -0.226 114.350 114.554 0.038 0.000 2.768 1283 T HA 0.725 5.077 4.350 0.003 0.000 0.268 1283 T C 0.500 175.223 174.700 0.037 0.000 0.969 1283 T CA -0.311 61.809 62.100 0.032 0.000 1.008 1283 T CB 0.776 69.662 68.868 0.029 0.000 1.371 1283 T HN 0.252 nan 8.240 nan 0.000 0.587 1284 K N 0.166 120.586 120.400 0.033 0.000 2.734 1284 K HA 0.405 4.727 4.320 0.003 0.000 0.200 1284 K C -0.915 175.707 176.600 0.036 0.000 1.120 1284 K CA -0.215 56.094 56.287 0.037 0.000 1.067 1284 K CB 0.638 33.153 32.500 0.026 0.000 0.771 1284 K HN 0.226 nan 8.250 nan 0.000 0.481 1285 L N 0.194 121.437 121.223 0.033 0.000 2.301 1285 L HA 0.414 4.756 4.340 0.003 0.000 0.264 1285 L C -0.565 176.318 176.870 0.021 0.000 1.016 1285 L CA -0.687 54.167 54.840 0.023 0.000 0.821 1285 L CB 1.770 43.838 42.059 0.015 0.000 1.346 1285 L HN 0.012 nan 8.230 nan 0.000 0.429 1286 N N 1.577 120.281 118.700 0.007 0.000 2.976 1286 N HA 0.259 5.000 4.740 0.003 0.000 0.255 1286 N C -0.918 174.584 175.510 -0.014 0.000 1.312 1286 N CA -0.319 52.727 53.050 -0.008 0.000 0.897 1286 N CB 0.515 38.986 38.487 -0.026 0.000 1.184 1286 N HN 0.599 nan 8.380 nan 0.000 0.497 1287 Q N 0.290 120.085 119.800 -0.008 0.000 2.458 1287 Q HA 0.409 4.751 4.340 0.003 0.000 0.282 1287 Q C -1.219 174.775 176.000 -0.009 0.000 1.106 1287 Q CA -0.960 54.837 55.803 -0.009 0.000 0.814 1287 Q CB 1.369 30.106 28.738 -0.003 0.000 1.425 1287 Q HN 0.296 nan 8.270 nan 0.000 0.437 1288 D N 0.150 120.545 120.400 -0.010 0.000 2.382 1288 D HA 0.384 5.025 4.640 0.003 0.000 0.245 1288 D C 0.117 176.414 176.300 -0.005 0.000 1.120 1288 D CA -0.132 53.863 54.000 -0.009 0.000 0.890 1288 D CB 0.605 41.400 40.800 -0.010 0.000 1.201 1288 D HN 0.630 nan 8.370 nan 0.000 0.433 1289 I N 0.341 120.909 120.570 -0.004 0.000 2.498 1289 I HA 0.558 4.729 4.170 0.003 0.000 0.301 1289 I C 0.549 176.665 176.117 -0.002 0.000 0.984 1289 I CA -0.801 60.499 61.300 -0.001 0.000 1.204 1289 I CB 1.550 39.551 38.000 0.000 0.000 1.362 1289 I HN 0.513 nan 8.210 nan 0.000 0.471 1290 T N 4.815 119.368 114.554 -0.001 0.000 2.815 1290 T HA 0.639 4.991 4.350 0.003 0.000 0.289 1290 T C -0.355 174.345 174.700 0.000 0.000 1.000 1290 T CA -0.350 61.749 62.100 -0.001 0.000 0.958 1290 T CB 0.872 69.740 68.868 -0.001 0.000 0.944 1290 T HN 0.760 nan 8.240 nan 0.000 0.442 1291 V N 3.012 122.926 119.914 0.000 0.000 2.612 1291 V HA 0.723 4.845 4.120 0.003 0.000 0.301 1291 V C 0.309 176.404 176.094 0.001 0.000 1.046 1291 V CA -0.666 61.635 62.300 0.001 0.000 0.946 1291 V CB 1.767 33.590 31.823 0.001 0.000 1.003 1291 V HN 0.923 nan 8.190 nan 0.000 0.459 1292 T N 2.915 117.470 114.554 0.001 0.000 2.928 1292 T HA 0.728 5.080 4.350 0.003 0.000 0.296 1292 T C -0.184 174.517 174.700 0.001 0.000 1.000 1292 T CA -0.165 61.935 62.100 0.001 0.000 0.989 1292 T CB 1.677 70.545 68.868 0.001 0.000 1.005 1292 T HN 1.055 nan 8.240 nan 0.000 0.442 1293 A N 2.274 125.094 122.820 0.001 0.000 2.309 1293 A HA 1.018 5.340 4.320 0.003 0.000 0.317 1293 A C 0.022 177.607 177.584 0.001 0.000 1.134 1293 A CA -0.655 51.383 52.037 0.001 0.000 0.866 1293 A CB 1.696 20.697 19.000 0.001 0.000 1.329 1293 A HN 0.864 nan 8.150 nan 0.000 0.477 1300 T N 1.424 115.981 114.554 0.004 0.000 2.900 1300 T HA 0.718 5.070 4.350 0.003 0.000 0.295 1300 T C -0.606 174.097 174.700 0.005 0.000 1.044 1300 T CA -0.354 61.748 62.100 0.004 0.000 0.995 1300 T CB 1.093 69.963 68.868 0.004 0.000 1.072 1300 T HN 1.396 nan 8.240 nan 0.000 0.473 1301 M N 3.578 123.180 119.600 0.004 0.000 2.393 1301 M HA 0.638 5.120 4.480 0.003 0.000 0.316 1301 M C -1.429 174.873 176.300 0.003 0.000 1.087 1301 M CA -0.226 55.077 55.300 0.005 0.000 0.937 1301 M CB 1.961 34.563 32.600 0.004 0.000 1.668 1301 M HN 0.653 nan 8.290 nan 0.000 0.438 1302 T N 5.435 119.992 114.554 0.006 0.000 2.861 1302 T HA 0.634 4.986 4.350 0.003 0.000 0.287 1302 T C -0.760 173.943 174.700 0.005 0.000 1.003 1302 T CA -0.644 61.458 62.100 0.003 0.000 0.977 1302 T CB 1.371 70.242 68.868 0.005 0.000 0.996 1302 T HN 0.486 nan 8.240 nan 0.000 0.448 1303 I N 3.513 124.079 120.570 -0.006 0.000 2.474 1303 I HA 0.538 4.710 4.170 0.003 0.000 0.294 1303 I C -0.594 175.502 176.117 -0.035 0.000 1.005 1303 I CA -1.127 60.169 61.300 -0.007 0.000 1.113 1303 I CB 1.488 39.482 38.000 -0.010 0.000 1.289 1303 I HN 0.539 nan 8.210 nan 0.000 0.436 1304 L N 4.996 126.202 121.223 -0.028 0.000 2.365 1304 L HA 0.647 4.989 4.340 0.003 0.000 0.273 1304 L C -0.291 176.498 176.870 -0.134 0.000 1.000 1304 L CA -0.251 54.505 54.840 -0.139 0.000 0.819 1304 L CB 2.213 44.239 42.059 -0.055 0.000 1.284 1304 L HN 0.519 nan 8.230 nan 0.000 0.418 1305 T N 2.196 116.565 114.554 -0.308 0.000 3.103 1305 T HA 0.476 4.828 4.350 0.003 0.000 0.352 1305 T C -0.695 173.955 174.700 -0.084 0.000 1.048 1305 T CA -0.414 61.629 62.100 -0.096 0.000 1.175 1305 T CB -0.011 68.834 68.868 -0.039 0.000 1.029 1305 T HN 0.062 nan 8.240 nan 0.000 0.498 1306 F N 3.171 123.198 119.950 0.127 0.000 2.385 1306 F HA 0.687 5.215 4.527 0.002 0.000 0.336 1306 F C 0.239 176.171 175.800 0.219 0.000 1.100 1306 F CA -1.254 56.831 58.000 0.142 0.000 1.116 1306 F CB 0.595 39.628 39.000 0.056 0.000 1.166 1306 F HN 0.583 nan 8.300 nan 0.000 0.511 1307 Y N -0.943 119.458 120.300 0.169 0.000 2.609 1307 Y HA 0.425 4.976 4.550 0.002 0.000 0.336 1307 Y C -1.127 174.820 175.900 0.079 0.000 1.129 1307 Y CA -1.488 56.672 58.100 0.100 0.000 1.040 1307 Y CB 1.152 39.646 38.460 0.056 0.000 1.310 1307 Y HN 0.486 nan 8.280 nan 0.000 0.460 1308 N N 2.071 120.759 118.700 -0.020 0.000 2.415 1308 N HA 0.430 5.172 4.740 0.003 0.000 0.250 1308 N C -0.636 174.776 175.510 -0.164 0.000 1.127 1308 N CA -0.006 52.965 53.050 -0.131 0.000 0.945 1308 N CB 1.139 39.614 38.487 -0.021 0.000 1.196 1308 N HN 0.805 nan 8.380 nan 0.000 0.499 1309 A N 2.767 125.321 122.820 -0.443 0.000 2.322 1309 A HA 0.179 4.501 4.320 0.003 0.000 0.269 1309 A C 0.541 178.083 177.584 -0.071 0.000 1.094 1309 A CA -0.324 51.588 52.037 -0.208 0.000 0.807 1309 A CB 0.844 19.655 19.000 -0.314 0.000 1.047 1309 A HN 0.676 nan 8.150 nan 0.000 0.487 1318 c N 4.396 123.048 118.600 0.087 0.000 3.044 1318 c HA -0.119 4.453 4.570 0.003 0.000 0.280 1318 c C 1.591 175.742 174.090 0.101 0.000 1.109 1318 c CA 0.525 56.923 56.329 0.116 0.000 2.542 1318 c CB -2.180 40.408 42.510 0.130 0.000 1.546 1318 c HN 1.007 nan 8.230 nan 0.000 0.467 1319 N N 1.117 119.867 118.700 0.084 0.000 2.376 1319 N HA -0.050 4.692 4.740 0.003 0.000 0.177 1319 N C 1.721 177.239 175.510 0.013 0.000 1.024 1319 N CA 0.885 53.961 53.050 0.042 0.000 0.893 1319 N CB 0.204 38.709 38.487 0.030 0.000 0.980 1319 N HN 0.719 nan 8.380 nan 0.000 0.439 1320 K N 0.101 120.548 120.400 0.079 0.000 2.168 1320 K HA 0.164 4.486 4.320 0.003 0.000 0.201 1320 K C 0.348 176.856 176.600 -0.155 0.000 1.049 1320 K CA 0.526 56.821 56.287 0.014 0.000 0.974 1320 K CB 0.102 32.738 32.500 0.227 0.000 0.792 1320 K HN 0.032 nan 8.250 nan 0.000 0.463 1321 F N 0.299 120.362 119.950 0.188 0.000 2.577 1321 F HA 0.257 4.785 4.527 0.003 0.000 0.318 1321 F C 0.495 176.390 175.800 0.157 0.000 1.065 1321 F CA -1.210 56.911 58.000 0.202 0.000 0.929 1321 F CB 1.429 40.543 39.000 0.189 0.000 1.237 1321 F HN -0.016 nan 8.300 nan 0.000 0.468 1322 H N 3.582 122.807 119.070 0.258 0.000 2.604 1322 H HA 0.491 5.048 4.556 0.003 0.000 0.306 1322 H C -1.762 173.667 175.328 0.169 0.000 1.075 1322 H CA -0.503 55.644 56.048 0.165 0.000 1.357 1322 H CB 1.444 31.268 29.762 0.105 0.000 1.426 1322 H HN 0.588 nan 8.280 nan 0.000 0.470 1323 L N 6.053 127.063 121.223 -0.356 0.000 2.372 1323 L HA 0.319 4.661 4.340 0.003 0.000 0.274 1323 L C -1.402 175.253 176.870 -0.358 0.000 0.988 1323 L CA -0.509 54.156 54.840 -0.291 0.000 0.833 1323 L CB 1.421 43.417 42.059 -0.105 0.000 1.236 1323 L HN 0.679 nan 8.230 nan 0.000 0.410 1324 N N 4.188 122.698 118.700 -0.316 0.000 2.491 1324 N HA 0.592 5.333 4.740 0.003 0.000 0.274 1324 N C -1.964 173.483 175.510 -0.106 0.000 1.023 1324 N CA -0.308 52.635 53.050 -0.178 0.000 0.902 1324 N CB 1.798 40.218 38.487 -0.113 0.000 1.267 1324 N HN 0.291 nan 8.380 nan 0.000 0.503 1325 V N 2.541 122.404 119.914 -0.084 0.000 2.443 1325 V HA 0.587 4.709 4.120 0.003 0.000 0.293 1325 V C -0.287 175.757 176.094 -0.083 0.000 1.021 1325 V CA -0.746 61.486 62.300 -0.113 0.000 0.848 1325 V CB 1.076 32.818 31.823 -0.134 0.000 0.998 1325 V HN 0.785 nan 8.190 nan 0.000 0.424 1326 S N 3.452 119.084 115.700 -0.114 0.000 2.600 1326 S HA 0.829 5.301 4.470 0.003 0.000 0.300 1326 S C -0.882 173.630 174.600 -0.147 0.000 1.087 1326 S CA -0.931 57.219 58.200 -0.082 0.000 0.965 1326 S CB 2.310 65.478 63.200 -0.053 0.000 1.089 1326 S HN 0.707 nan 8.310 nan 0.000 0.496 1327 V N 1.555 121.412 119.914 -0.096 0.000 2.398 1327 V HA 0.480 4.602 4.120 0.003 0.000 0.282 1327 V C -0.710 175.340 176.094 -0.074 0.000 1.014 1327 V CA -0.263 61.963 62.300 -0.123 0.000 0.838 1327 V CB 0.855 32.618 31.823 -0.099 0.000 1.018 1327 V HN 1.026 nan 8.190 nan 0.000 0.432 1328 E N 3.897 124.047 120.200 -0.083 0.000 2.239 1328 E HA 0.436 4.788 4.350 0.003 0.000 0.261 1328 E C -0.763 175.809 176.600 -0.047 0.000 1.016 1328 E CA -0.920 55.447 56.400 -0.056 0.000 0.882 1328 E CB 1.278 30.942 29.700 -0.060 0.000 1.190 1328 E HN 0.646 nan 8.360 nan 0.000 0.415 1329 N N 0.162 118.844 118.700 -0.030 0.000 2.479 1329 N HA 0.293 5.034 4.740 0.003 0.000 0.285 1329 N C -0.854 174.644 175.510 -0.019 0.000 1.075 1329 N CA -0.115 52.925 53.050 -0.016 0.000 0.967 1329 N CB 1.141 39.625 38.487 -0.005 0.000 1.137 1329 N HN 0.460 nan 8.380 nan 0.000 0.472 1330 I N 0.980 121.544 120.570 -0.010 0.000 2.281 1330 I HA 0.521 4.693 4.170 0.003 0.000 0.293 1330 I C 1.085 177.199 176.117 -0.004 0.000 1.085 1330 I CA -0.471 60.823 61.300 -0.010 0.000 1.257 1330 I CB -1.530 36.468 38.000 -0.002 0.000 1.430 1330 I HN 0.810 nan 8.210 nan 0.000 0.489 1341 L N 1.286 122.574 121.223 0.108 0.000 2.409 1341 L HA 0.685 5.027 4.340 0.003 0.000 0.262 1341 L C -0.460 176.387 176.870 -0.038 0.000 0.992 1341 L CA -0.832 54.024 54.840 0.027 0.000 0.817 1341 L CB 2.341 44.401 42.059 0.000 0.000 1.350 1341 L HN 0.822 nan 8.230 nan 0.000 0.411 1342 M N 3.285 122.840 119.600 -0.075 0.000 2.077 1342 M HA 0.352 4.833 4.480 0.003 0.000 0.348 1342 M C -1.102 175.075 176.300 -0.205 0.000 1.252 1342 M CA -0.346 54.885 55.300 -0.116 0.000 1.096 1342 M CB 0.724 33.262 32.600 -0.103 0.000 1.568 1342 M HN 0.390 nan 8.290 nan 0.000 0.456 1343 L N 6.243 127.260 121.223 -0.343 0.000 2.281 1343 L HA 0.467 4.809 4.340 0.003 0.000 0.285 1343 L C -0.724 175.923 176.870 -0.372 0.000 1.074 1343 L CA 0.445 54.989 54.840 -0.493 0.000 0.817 1343 L CB 0.158 41.723 42.059 -0.823 0.000 1.168 1343 L HN 0.526 nan 8.230 nan 0.000 0.434 1344 K N 6.477 126.716 120.400 -0.268 0.000 2.413 1344 K HA 0.504 4.826 4.320 0.003 0.000 0.257 1344 K C -1.387 175.130 176.600 -0.139 0.000 0.946 1344 K CA -0.458 55.751 56.287 -0.130 0.000 0.823 1344 K CB 1.267 33.711 32.500 -0.094 0.000 1.109 1344 K HN 0.637 nan 8.250 nan 0.000 0.427 1345 I N 3.463 123.985 120.570 -0.080 0.000 2.436 1345 I HA 0.341 4.513 4.170 0.003 0.000 0.289 1345 I C -0.690 175.413 176.117 -0.023 0.000 1.010 1345 I CA -0.812 60.440 61.300 -0.081 0.000 1.098 1345 I CB 1.826 39.772 38.000 -0.090 0.000 1.266 1345 I HN 0.437 nan 8.210 nan 0.000 0.434 1346 c N 3.886 122.472 118.600 -0.024 0.000 2.396 1346 c HA 0.750 5.322 4.570 0.003 0.000 0.321 1346 c C 0.247 174.356 174.090 0.031 0.000 1.233 1346 c CA -0.473 55.875 56.329 0.032 0.000 1.440 1346 c CB 1.526 44.084 42.510 0.079 0.000 2.110 1346 c HN 0.777 nan 8.230 nan 0.000 0.473 1347 T N 2.446 117.062 114.554 0.104 0.000 2.896 1347 T HA 0.776 5.128 4.350 0.003 0.000 0.297 1347 T C -1.371 173.508 174.700 0.299 0.000 1.108 1347 T CA -0.498 61.704 62.100 0.171 0.000 1.004 1347 T CB 1.401 70.319 68.868 0.082 0.000 1.159 1347 T HN 0.850 nan 8.240 nan 0.000 0.499 1348 R N 2.170 122.921 120.500 0.418 0.000 2.535 1348 R HA 0.392 4.733 4.340 0.003 0.000 0.274 1348 R C -1.991 174.548 176.300 0.399 0.000 1.090 1348 R CA -0.736 55.580 56.100 0.360 0.000 0.930 1348 R CB 1.149 31.585 30.300 0.226 0.000 1.223 1348 R HN 0.669 nan 8.270 nan 0.000 0.441 1349 Y N 4.685 125.073 120.300 0.148 0.000 2.359 1349 Y HA 0.177 4.729 4.550 0.003 0.000 0.330 1349 Y C 0.303 176.144 175.900 -0.098 0.000 1.143 1349 Y CA -0.041 57.939 58.100 -0.199 0.000 1.318 1349 Y CB 0.886 39.235 38.460 -0.184 0.000 1.234 1349 Y HN 0.657 nan 8.280 nan 0.000 0.522 1350 L N 5.429 126.239 121.223 -0.687 0.000 2.592 1350 L HA 0.261 4.603 4.340 0.003 0.000 0.227 1350 L C 1.392 177.867 176.870 -0.659 0.000 1.127 1350 L CA 0.134 54.684 54.840 -0.482 0.000 0.884 1350 L CB -0.584 41.305 42.059 -0.284 0.000 1.065 1350 L HN 0.789 nan 8.230 nan 0.000 0.457 1351 G N -0.397 107.581 108.800 -1.370 0.000 2.653 1351 G HA2 0.019 3.981 3.960 0.003 0.000 0.265 1351 G HA3 0.019 3.981 3.960 0.003 0.000 0.265 1351 G C 0.544 175.221 174.900 -0.372 0.000 1.237 1351 G CA -0.222 44.364 45.100 -0.857 0.000 0.946 1351 G HN 0.074 nan 8.290 nan 0.000 0.522 1352 E N -1.925 118.118 120.200 -0.261 0.000 2.216 1352 E HA 0.070 4.422 4.350 0.003 0.000 0.192 1352 E C 0.630 176.864 176.600 -0.608 0.000 0.988 1352 E CA 0.191 56.422 56.400 -0.282 0.000 0.834 1352 E CB 0.180 29.783 29.700 -0.161 0.000 0.772 1352 E HN 0.151 nan 8.360 nan 0.000 0.479 1353 V N 0.833 120.499 119.914 -0.412 0.000 2.789 1353 V HA 0.188 4.310 4.120 0.003 0.000 0.311 1353 V C -1.277 174.816 176.094 -0.003 0.000 1.073 1353 V CA -1.086 60.999 62.300 -0.357 0.000 0.921 1353 V CB 1.877 33.626 31.823 -0.123 0.000 1.009 1353 V HN 0.015 nan 8.190 nan 0.000 0.426 1354 D N 3.261 123.747 120.400 0.144 0.000 2.730 1354 D HA 0.023 4.664 4.640 0.003 0.000 0.225 1354 D C 0.402 176.771 176.300 0.116 0.000 1.107 1354 D CA 0.886 55.041 54.000 0.258 0.000 0.837 1354 D CB 0.529 41.450 40.800 0.202 0.000 1.171 1354 D HN 0.759 nan 8.370 nan 0.000 0.498 1355 S N 1.014 116.677 115.700 -0.061 0.000 2.580 1355 S HA 0.473 4.945 4.470 0.003 0.000 0.274 1355 S C 0.154 174.741 174.600 -0.022 0.000 1.329 1355 S CA -0.916 57.094 58.200 -0.316 0.000 1.036 1355 S CB 0.998 63.706 63.200 -0.820 0.000 0.919 1355 S HN 0.415 nan 8.310 nan 0.000 0.515 1356 T N -0.139 114.456 114.554 0.068 0.000 2.907 1356 T HA 0.571 4.922 4.350 0.003 0.000 0.284 1356 T C 0.175 174.936 174.700 0.101 0.000 1.004 1356 T CA -0.815 61.348 62.100 0.106 0.000 1.063 1356 T CB 0.544 69.510 68.868 0.162 0.000 0.992 1356 T HN 0.842 nan 8.240 nan 0.000 0.483 1357 M N 1.410 121.050 119.600 0.066 0.000 2.399 1357 M HA -0.147 4.335 4.480 0.003 0.000 0.191 1357 M C 0.339 176.687 176.300 0.080 0.000 0.732 1357 M CA 0.723 56.060 55.300 0.061 0.000 0.512 1357 M CB -1.823 30.784 32.600 0.012 0.000 1.191 1357 M HN 1.138 nan 8.290 nan 0.000 0.894 1358 T N -0.103 114.473 114.554 0.038 0.000 2.918 1358 T HA 0.805 5.157 4.350 0.003 0.000 0.283 1358 T C 0.069 174.666 174.700 -0.171 0.000 1.001 1358 T CA -0.642 61.423 62.100 -0.059 0.000 1.041 1358 T CB 0.916 69.751 68.868 -0.055 0.000 1.028 1358 T HN 0.384 nan 8.240 nan 0.000 0.511 1359 I N 3.278 123.604 120.570 -0.406 0.000 2.533 1359 I HA 0.425 4.596 4.170 0.003 0.000 0.290 1359 I C -0.555 175.163 176.117 -0.666 0.000 1.056 1359 I CA -0.924 60.032 61.300 -0.573 0.000 1.057 1359 I CB 2.156 39.702 38.000 -0.757 0.000 1.240 1359 I HN 0.594 nan 8.210 nan 0.000 0.423 1360 I N 4.881 125.152 120.570 -0.498 0.000 2.388 1360 I HA 0.197 4.369 4.170 0.003 0.000 0.281 1360 I C -0.492 175.436 176.117 -0.315 0.000 1.046 1360 I CA -0.294 60.783 61.300 -0.372 0.000 1.187 1360 I CB 0.780 38.630 38.000 -0.249 0.000 1.351 1360 I HN 0.495 nan 8.210 nan 0.000 0.472 1361 D N 8.176 128.414 120.400 -0.270 0.000 2.339 1361 D HA 0.410 5.052 4.640 0.003 0.000 0.241 1361 D C -0.547 175.705 176.300 -0.079 0.000 1.183 1361 D CA -0.067 53.843 54.000 -0.149 0.000 0.859 1361 D CB 0.918 41.706 40.800 -0.019 0.000 1.067 1361 D HN 0.331 nan 8.370 nan 0.000 0.484 1362 I N 2.323 122.861 120.570 -0.054 0.000 2.465 1362 I HA 0.210 4.381 4.170 0.003 0.000 0.291 1362 I C 0.288 176.431 176.117 0.043 0.000 1.014 1362 I CA -0.791 60.512 61.300 0.005 0.000 1.093 1362 I CB 1.979 39.998 38.000 0.033 0.000 1.267 1362 I HN 0.245 nan 8.210 nan 0.000 0.431 1363 S N 6.340 122.087 115.700 0.079 0.000 2.537 1363 S HA 0.665 5.136 4.470 0.003 0.000 0.301 1363 S C -0.370 174.308 174.600 0.130 0.000 1.092 1363 S CA -0.999 57.250 58.200 0.081 0.000 1.048 1363 S CB 1.773 65.001 63.200 0.046 0.000 1.053 1363 S HN 0.383 nan 8.310 nan 0.000 0.501 1364 M N 2.434 122.097 119.600 0.105 0.000 2.250 1364 M HA 0.361 4.843 4.480 0.003 0.000 0.344 1364 M C -0.114 176.198 176.300 0.021 0.000 1.150 1364 M CA -0.519 54.853 55.300 0.120 0.000 1.147 1364 M CB 0.338 33.029 32.600 0.153 0.000 1.498 1364 M HN 0.723 nan 8.290 nan 0.000 0.461 1365 L N 0.757 121.924 121.223 -0.094 0.000 2.483 1365 L HA 0.044 4.386 4.340 0.003 0.000 0.275 1365 L C 1.186 178.111 176.870 0.091 0.000 1.220 1365 L CA 0.154 54.870 54.840 -0.207 0.000 0.833 1365 L CB -0.066 41.630 42.059 -0.606 0.000 1.102 1365 L HN 0.676 nan 8.230 nan 0.000 0.490 1366 T N 1.325 115.920 114.554 0.069 0.000 2.928 1366 T HA 0.266 4.618 4.350 0.003 0.000 0.305 1366 T C 1.066 175.916 174.700 0.251 0.000 1.035 1366 T CA 0.487 62.665 62.100 0.130 0.000 1.145 1366 T CB 0.083 68.991 68.868 0.067 0.000 0.963 1366 T HN 0.970 nan 8.240 nan 0.000 0.545 1367 G N 3.506 112.411 108.800 0.176 0.000 2.225 1367 G HA2 -0.226 3.736 3.960 0.003 0.000 0.267 1367 G HA3 -0.226 3.736 3.960 0.003 0.000 0.267 1367 G C -0.086 174.839 174.900 0.043 0.000 1.024 1367 G CA 0.216 45.388 45.100 0.121 0.000 0.784 1367 G HN 0.653 nan 8.290 nan 0.000 0.507 1368 F N -1.595 118.399 119.950 0.074 0.000 2.561 1368 F HA 0.856 5.384 4.527 0.003 0.000 0.321 1368 F C 0.075 175.926 175.800 0.084 0.000 1.065 1368 F CA -1.279 56.766 58.000 0.074 0.000 0.934 1368 F CB 2.133 41.157 39.000 0.041 0.000 1.215 1368 F HN 0.062 nan 8.300 nan 0.000 0.471 1369 L N 3.404 124.792 121.223 0.275 0.000 2.505 1369 L HA 0.561 4.902 4.340 0.003 0.000 0.259 1369 L C -2.702 174.267 176.870 0.164 0.000 0.952 1369 L CA -2.236 52.712 54.840 0.179 0.000 0.840 1369 L CB 2.568 44.713 42.059 0.144 0.000 1.358 1369 L HN 0.196 nan 8.230 nan 0.000 0.409 1370 P HA 0.113 nan 4.420 nan 0.000 0.276 1370 P C -1.060 176.288 177.300 0.080 0.000 1.230 1370 P CA -0.279 62.914 63.100 0.155 0.000 0.776 1370 P CB 0.431 32.172 31.700 0.068 0.000 0.888 1371 D N 3.308 123.783 120.400 0.124 0.000 2.402 1371 D HA -0.035 4.606 4.640 0.003 0.000 0.268 1371 D C 1.193 177.516 176.300 0.038 0.000 1.294 1371 D CA 0.213 54.260 54.000 0.078 0.000 0.945 1371 D CB 0.739 41.601 40.800 0.103 0.000 1.112 1371 D HN 0.313 nan 8.370 nan 0.000 0.517 1372 A N 4.737 127.572 122.820 0.025 0.000 1.940 1372 A HA -0.220 4.102 4.320 0.003 0.000 0.219 1372 A C 1.995 179.618 177.584 0.065 0.000 1.176 1372 A CA 1.616 53.682 52.037 0.048 0.000 0.631 1372 A CB -0.400 18.676 19.000 0.128 0.000 0.814 1372 A HN 0.793 nan 8.150 nan 0.000 0.446 1373 E N -0.165 120.065 120.200 0.051 0.000 2.051 1373 E HA -0.254 4.098 4.350 0.003 0.000 0.192 1373 E C 1.307 177.924 176.600 0.029 0.000 0.991 1373 E CA 1.490 57.915 56.400 0.042 0.000 0.799 1373 E CB -0.198 29.524 29.700 0.036 0.000 0.748 1373 E HN 0.549 nan 8.360 nan 0.000 0.449 1374 D N 0.675 121.095 120.400 0.033 0.000 2.092 1374 D HA -0.181 4.461 4.640 0.003 0.000 0.193 1374 D C 2.018 178.279 176.300 -0.064 0.000 0.994 1374 D CA 0.750 54.766 54.000 0.026 0.000 0.828 1374 D CB -0.419 40.452 40.800 0.118 0.000 0.963 1374 D HN 0.177 nan 8.370 nan 0.000 0.450 1375 L N 0.779 121.916 121.223 -0.144 0.000 2.131 1375 L HA -0.121 4.221 4.340 0.003 0.000 0.210 1375 L C 2.191 178.993 176.870 -0.113 0.000 1.092 1375 L CA 1.590 56.240 54.840 -0.317 0.000 0.759 1375 L CB -0.737 41.039 42.059 -0.471 0.000 0.903 1375 L HN 0.000 nan 8.230 nan 0.000 0.435 1376 T N -1.477 113.090 114.554 0.023 0.000 2.857 1376 T HA -0.165 4.187 4.350 0.003 0.000 0.266 1376 T C 2.002 176.703 174.700 0.002 0.000 1.048 1376 T CA 1.196 63.337 62.100 0.068 0.000 1.139 1376 T CB -0.164 68.754 68.868 0.084 0.000 0.874 1376 T HN 0.281 nan 8.240 nan 0.000 0.455 1377 R N 0.726 121.216 120.500 -0.017 0.000 2.081 1377 R HA 0.016 4.358 4.340 0.003 0.000 0.235 1377 R C 2.268 178.541 176.300 -0.046 0.000 1.131 1377 R CA 1.137 57.221 56.100 -0.026 0.000 0.960 1377 R CB -0.433 29.853 30.300 -0.024 0.000 0.856 1377 R HN 0.351 nan 8.270 nan 0.000 0.436 1378 L N -0.210 120.963 121.223 -0.084 0.000 2.083 1378 L HA -0.143 4.199 4.340 0.003 0.000 0.209 1378 L C 2.595 179.422 176.870 -0.071 0.000 1.083 1378 L CA 1.344 56.122 54.840 -0.103 0.000 0.752 1378 L CB -0.489 41.458 42.059 -0.188 0.000 0.899 1378 L HN 0.289 nan 8.230 nan 0.000 0.433 1379 S N 0.681 116.347 115.700 -0.058 0.000 2.399 1379 S HA -0.198 4.274 4.470 0.003 0.000 0.231 1379 S C 1.850 176.452 174.600 0.002 0.000 1.022 1379 S CA 1.532 59.716 58.200 -0.027 0.000 0.983 1379 S CB -0.080 63.120 63.200 -0.000 0.000 0.803 1379 S HN 0.556 nan 8.310 nan 0.000 0.480 1380 K N 0.420 120.819 120.400 -0.003 0.000 2.444 1380 K HA 0.243 4.565 4.320 0.003 0.000 0.193 1380 K C 0.896 177.501 176.600 0.008 0.000 1.024 1380 K CA 0.267 56.559 56.287 0.007 0.000 1.077 1380 K CB -0.452 32.048 32.500 0.000 0.000 0.833 1380 K HN 0.262 nan 8.250 nan 0.000 0.517 1381 G N 1.152 109.954 108.800 0.002 0.000 2.391 1381 G HA2 0.051 4.013 3.960 0.003 0.000 0.234 1381 G HA3 0.051 4.013 3.960 0.003 0.000 0.234 1381 G C 1.041 175.951 174.900 0.016 0.000 1.284 1381 G CA -0.412 44.690 45.100 0.003 0.000 0.873 1381 G HN 0.008 nan 8.290 nan 0.000 0.549 1382 V N 2.011 121.933 119.914 0.013 0.000 2.231 1382 V HA -0.164 3.958 4.120 0.003 0.000 0.250 1382 V C 1.123 177.230 176.094 0.021 0.000 1.058 1382 V CA 1.931 64.240 62.300 0.015 0.000 1.022 1382 V CB -0.369 31.462 31.823 0.012 0.000 0.640 1382 V HN 0.611 nan 8.190 nan 0.000 0.445 1383 D N 1.021 121.436 120.400 0.025 0.000 2.540 1383 D HA 0.503 5.145 4.640 0.003 0.000 0.251 1383 D C 0.165 176.494 176.300 0.047 0.000 1.159 1383 D CA 0.139 54.158 54.000 0.032 0.000 0.974 1383 D CB 0.550 41.367 40.800 0.029 0.000 0.996 1383 D HN 0.399 nan 8.370 nan 0.000 0.512 1384 R N 0.815 121.356 120.500 0.069 0.000 2.712 1384 R HA 0.399 4.741 4.340 0.003 0.000 0.272 1384 R C -1.842 174.575 176.300 0.196 0.000 1.032 1384 R CA -0.888 55.274 56.100 0.102 0.000 0.874 1384 R CB 2.270 32.600 30.300 0.049 0.000 1.256 1384 R HN 0.197 nan 8.270 nan 0.000 0.468 1385 Y N 1.393 121.742 120.300 0.081 0.000 2.480 1385 Y HA 0.593 5.145 4.550 0.003 0.000 0.329 1385 Y C -1.799 174.213 175.900 0.187 0.000 1.127 1385 Y CA -0.674 57.483 58.100 0.094 0.000 1.037 1385 Y CB 1.441 39.921 38.460 0.033 0.000 1.320 1385 Y HN 0.504 nan 8.280 nan 0.000 0.446 1386 I N 3.501 123.722 120.570 -0.582 0.000 2.769 1386 I HA 0.396 4.568 4.170 0.003 0.000 0.298 1386 I C -0.165 175.475 176.117 -0.796 0.000 1.128 1386 I CA -1.109 59.898 61.300 -0.488 0.000 1.031 1386 I CB 2.380 40.276 38.000 -0.173 0.000 1.235 1386 I HN 0.514 nan 8.210 nan 0.000 0.423 1387 S N 2.564 118.008 115.700 -0.426 0.000 2.576 1387 S HA 0.199 4.671 4.470 0.003 0.000 0.272 1387 S C 0.204 174.760 174.600 -0.074 0.000 1.352 1387 S CA -0.360 57.714 58.200 -0.211 0.000 1.021 1387 S CB 0.260 63.464 63.200 0.006 0.000 0.887 1387 S HN 0.369 nan 8.310 nan 0.000 0.542 1388 R N 1.504 121.966 120.500 -0.063 0.000 2.583 1388 R HA 0.178 4.520 4.340 0.003 0.000 0.274 1388 R C -0.589 175.704 176.300 -0.012 0.000 0.998 1388 R CA 0.614 56.643 56.100 -0.119 0.000 1.081 1388 R CB -0.225 30.030 30.300 -0.075 0.000 0.940 1388 R HN 0.588 nan 8.270 nan 0.000 0.413 1389 Y N -1.313 118.963 120.300 -0.042 0.000 2.545 1389 Y HA 0.598 5.150 4.550 0.003 0.000 0.348 1389 Y C -0.255 175.636 175.900 -0.016 0.000 1.002 1389 Y CA -1.706 56.378 58.100 -0.027 0.000 1.039 1389 Y CB 1.161 39.599 38.460 -0.037 0.000 1.271 1389 Y HN 0.352 nan 8.280 nan 0.000 0.467 1390 E N 0.764 121.060 120.200 0.159 0.000 2.371 1390 E HA 0.613 4.965 4.350 0.003 0.000 0.257 1390 E C -1.308 175.397 176.600 0.174 0.000 1.134 1390 E CA -0.443 56.018 56.400 0.102 0.000 0.919 1390 E CB 1.439 31.183 29.700 0.074 0.000 1.025 1390 E HN 0.581 nan 8.360 nan 0.000 0.438 1391 V N 2.206 122.186 119.914 0.110 0.000 2.577 1391 V HA 0.325 4.447 4.120 0.003 0.000 0.303 1391 V C -1.145 174.991 176.094 0.070 0.000 1.042 1391 V CA -0.878 61.490 62.300 0.114 0.000 0.872 1391 V CB 2.037 33.928 31.823 0.114 0.000 0.998 1391 V HN 0.583 nan 8.190 nan 0.000 0.423 1392 D N 3.579 124.018 120.400 0.066 0.000 2.440 1392 D HA 0.436 5.077 4.640 0.003 0.000 0.239 1392 D C 0.111 176.422 176.300 0.018 0.000 1.084 1392 D CA -0.106 53.923 54.000 0.049 0.000 0.843 1392 D CB 0.635 41.479 40.800 0.074 0.000 1.097 1392 D HN 0.559 nan 8.370 nan 0.000 0.531 1393 N N 3.341 122.047 118.700 0.010 0.000 2.688 1393 N HA -0.293 4.449 4.740 0.003 0.000 0.258 1393 N C -0.249 175.250 175.510 -0.018 0.000 1.016 1393 N CA 0.603 53.647 53.050 -0.011 0.000 0.747 1393 N CB -0.855 37.614 38.487 -0.030 0.000 0.895 1393 N HN 0.713 nan 8.380 nan 0.000 0.543 1394 N N -1.382 117.322 118.700 0.007 0.000 2.741 1394 N HA -0.217 4.525 4.740 0.003 0.000 0.250 1394 N C -1.048 174.471 175.510 0.015 0.000 1.115 1394 N CA 1.440 54.500 53.050 0.017 0.000 0.724 1394 N CB -0.690 37.802 38.487 0.008 0.000 1.090 1394 N HN 0.581 nan 8.380 nan 0.000 0.558 1395 M N 0.418 120.027 119.600 0.016 0.000 2.085 1395 M HA 0.486 4.968 4.480 0.003 0.000 0.309 1395 M C 0.065 176.393 176.300 0.046 0.000 0.947 1395 M CA -0.577 54.731 55.300 0.014 0.000 0.918 1395 M CB 1.685 34.269 32.600 -0.027 0.000 1.504 1395 M HN 0.218 nan 8.290 nan 0.000 0.420 1396 A N 2.596 125.419 122.820 0.005 0.000 2.524 1396 A HA 0.132 4.454 4.320 0.003 0.000 0.250 1396 A C 0.211 177.793 177.584 -0.004 0.000 1.078 1396 A CA -0.009 51.997 52.037 -0.052 0.000 0.761 1396 A CB 0.119 18.843 19.000 -0.459 0.000 1.012 1396 A HN 0.774 nan 8.150 nan 0.000 0.500 1397 Q N 1.672 121.521 119.800 0.081 0.000 3.181 1397 Q HA 0.248 4.590 4.340 0.003 0.000 0.293 1397 Q C -0.788 175.247 176.000 0.059 0.000 1.406 1397 Q CA 0.739 56.591 55.803 0.081 0.000 1.026 1397 Q CB -0.379 28.418 28.738 0.097 0.000 1.630 1397 Q HN 0.584 nan 8.270 nan 0.000 0.553 1398 K N 0.161 120.573 120.400 0.020 0.000 2.565 1398 K HA 0.166 4.488 4.320 0.003 0.000 0.251 1398 K C -0.597 176.017 176.600 0.023 0.000 0.956 1398 K CA -0.278 56.016 56.287 0.012 0.000 0.809 1398 K CB 1.946 34.429 32.500 -0.028 0.000 1.267 1398 K HN 0.120 nan 8.250 nan 0.000 0.438 1399 V N 1.316 121.255 119.914 0.041 0.000 2.825 1399 V HA 0.234 4.356 4.120 0.003 0.000 0.246 1399 V C 0.143 176.269 176.094 0.053 0.000 1.068 1399 V CA 1.086 63.421 62.300 0.059 0.000 1.088 1399 V CB 0.487 32.346 31.823 0.060 0.000 0.733 1399 V HN 0.730 nan 8.190 nan 0.000 0.468 1400 A N 0.939 123.780 122.820 0.036 0.000 2.280 1400 A HA 0.660 4.982 4.320 0.003 0.000 0.320 1400 A C -0.621 176.964 177.584 0.001 0.000 1.366 1400 A CA -0.128 51.925 52.037 0.027 0.000 0.938 1400 A CB 1.038 20.055 19.000 0.029 0.000 1.157 1400 A HN 0.587 nan 8.150 nan 0.000 0.536 1401 V N 4.836 124.743 119.914 -0.012 0.000 2.435 1401 V HA 0.708 4.830 4.120 0.003 0.000 0.290 1401 V C -0.785 175.247 176.094 -0.103 0.000 1.030 1401 V CA -0.638 61.622 62.300 -0.067 0.000 0.881 1401 V CB 1.119 32.883 31.823 -0.100 0.000 0.983 1401 V HN 0.675 nan 8.190 nan 0.000 0.445 1402 I N 7.335 127.813 120.570 -0.154 0.000 2.418 1402 I HA 0.489 4.661 4.170 0.003 0.000 0.287 1402 I C -0.584 175.297 176.117 -0.393 0.000 1.008 1402 I CA -0.267 60.856 61.300 -0.295 0.000 1.104 1402 I CB 1.887 39.691 38.000 -0.326 0.000 1.264 1402 I HN 0.499 nan 8.210 nan 0.000 0.438 1403 I N 6.860 127.184 120.570 -0.410 0.000 2.354 1403 I HA 0.275 4.447 4.170 0.003 0.000 0.292 1403 I C -0.909 174.972 176.117 -0.395 0.000 0.989 1403 I CA -0.299 60.815 61.300 -0.310 0.000 1.188 1403 I CB 0.696 38.577 38.000 -0.199 0.000 1.342 1403 I HN 0.330 nan 8.210 nan 0.000 0.457 1404 Y N 6.702 126.978 120.300 -0.040 0.000 2.326 1404 Y HA 0.587 5.138 4.550 0.003 0.000 0.337 1404 Y C -0.435 175.462 175.900 -0.004 0.000 1.023 1404 Y CA -0.723 57.372 58.100 -0.009 0.000 1.143 1404 Y CB 0.901 39.411 38.460 0.083 0.000 1.183 1404 Y HN 0.310 nan 8.280 nan 0.000 0.485 1405 L N 2.971 124.250 121.223 0.094 0.000 2.346 1405 L HA 0.438 4.780 4.340 0.003 0.000 0.274 1405 L C 0.860 177.768 176.870 0.064 0.000 1.007 1405 L CA -0.453 54.423 54.840 0.059 0.000 0.818 1405 L CB 1.377 43.443 42.059 0.010 0.000 1.284 1405 L HN 0.589 nan 8.230 nan 0.000 0.424 1406 N N 1.474 120.207 118.700 0.054 0.000 2.142 1406 N HA -0.085 4.657 4.740 0.003 0.000 0.186 1406 N C -0.095 175.444 175.510 0.048 0.000 1.023 1406 N CA 1.051 54.126 53.050 0.041 0.000 0.852 1406 N CB -0.057 38.447 38.487 0.028 0.000 0.998 1406 N HN 0.624 nan 8.380 nan 0.000 0.424 1407 K N -0.721 119.711 120.400 0.054 0.000 2.464 1407 K HA 0.588 4.910 4.320 0.003 0.000 0.253 1407 K C -1.361 175.292 176.600 0.088 0.000 0.933 1407 K CA -0.793 55.536 56.287 0.070 0.000 0.801 1407 K CB 2.417 34.961 32.500 0.073 0.000 1.271 1407 K HN -0.326 nan 8.250 nan 0.000 0.430 1408 V N 1.974 121.963 119.914 0.126 0.000 2.417 1408 V HA 0.305 4.426 4.120 0.003 0.000 0.291 1408 V C -0.031 176.194 176.094 0.220 0.000 1.024 1408 V CA -0.767 61.643 62.300 0.183 0.000 0.861 1408 V CB 1.561 33.552 31.823 0.279 0.000 0.985 1408 V HN 0.963 nan 8.190 nan 0.000 0.436 1409 S N 3.216 119.027 115.700 0.185 0.000 2.563 1409 S HA -0.012 4.460 4.470 0.003 0.000 0.284 1409 S C 1.214 175.954 174.600 0.232 0.000 1.331 1409 S CA 0.150 58.454 58.200 0.174 0.000 1.047 1409 S CB 0.152 63.403 63.200 0.085 0.000 0.859 1409 S HN 0.989 nan 8.310 nan 0.000 0.514 1410 H N 2.172 121.332 119.070 0.150 0.000 2.622 1410 H HA 0.225 4.782 4.556 0.003 0.000 0.269 1410 H C 1.320 176.673 175.328 0.041 0.000 0.977 1410 H CA 0.801 56.918 56.048 0.115 0.000 1.179 1410 H CB -0.223 29.604 29.762 0.109 0.000 1.458 1410 H HN 0.587 nan 8.280 nan 0.000 0.531 1411 S N 0.039 115.465 115.700 -0.456 0.000 2.599 1411 S HA 0.060 4.532 4.470 0.003 0.000 0.236 1411 S C 0.662 175.163 174.600 -0.164 0.000 1.077 1411 S CA -0.176 57.781 58.200 -0.406 0.000 0.906 1411 S CB 0.411 63.309 63.200 -0.504 0.000 0.804 1411 S HN 0.602 nan 8.310 nan 0.000 0.497 1412 E N 0.956 121.099 120.200 -0.096 0.000 2.277 1412 E HA 0.544 4.895 4.350 0.003 0.000 0.266 1412 E C -1.817 174.792 176.600 0.014 0.000 0.901 1412 E CA -0.979 55.398 56.400 -0.038 0.000 0.782 1412 E CB 0.711 30.394 29.700 -0.028 0.000 1.228 1412 E HN -0.043 nan 8.360 nan 0.000 0.424 1413 D N 1.406 121.822 120.400 0.026 0.000 2.443 1413 D HA 0.058 4.699 4.640 0.003 0.000 0.239 1413 D C -0.690 175.660 176.300 0.084 0.000 1.136 1413 D CA 0.604 54.652 54.000 0.081 0.000 0.879 1413 D CB 0.616 41.467 40.800 0.085 0.000 1.195 1413 D HN 0.283 nan 8.370 nan 0.000 0.443 1414 E N 1.196 121.460 120.200 0.108 0.000 2.187 1414 E HA 0.457 4.808 4.350 0.003 0.000 0.268 1414 E C -0.994 175.649 176.600 0.072 0.000 0.896 1414 E CA -0.728 55.722 56.400 0.082 0.000 0.766 1414 E CB 1.460 31.209 29.700 0.082 0.000 1.142 1414 E HN 0.373 nan 8.360 nan 0.000 0.408 1415 c N 2.969 121.605 118.600 0.060 0.000 2.563 1415 c HA 0.713 5.285 4.570 0.003 0.000 0.314 1415 c C -0.894 173.226 174.090 0.050 0.000 1.199 1415 c CA -0.857 55.508 56.329 0.061 0.000 1.564 1415 c CB 0.259 42.817 42.510 0.081 0.000 2.173 1415 c HN 0.671 nan 8.230 nan 0.000 0.485 1416 L N 1.172 122.424 121.223 0.048 0.000 2.424 1416 L HA 0.978 5.320 4.340 0.003 0.000 0.258 1416 L C -0.759 176.167 176.870 0.093 0.000 0.995 1416 L CA -0.557 54.295 54.840 0.020 0.000 0.821 1416 L CB 1.427 43.489 42.059 0.005 0.000 1.383 1416 L HN 0.924 nan 8.230 nan 0.000 0.410 1417 H N -0.096 119.032 119.070 0.096 0.000 2.996 1417 H HA 0.892 5.450 4.556 0.003 0.000 0.368 1417 H C -1.427 174.031 175.328 0.216 0.000 1.185 1417 H CA -1.054 55.024 56.048 0.051 0.000 1.160 1417 H CB 1.735 31.481 29.762 -0.026 0.000 1.820 1417 H HN 0.837 nan 8.280 nan 0.000 0.547 1418 F N -1.549 118.435 119.950 0.058 0.000 2.693 1418 F HA 0.564 5.092 4.527 0.003 0.000 0.309 1418 F C -1.434 174.385 175.800 0.030 0.000 1.129 1418 F CA -1.428 56.589 58.000 0.029 0.000 0.948 1418 F CB 1.439 40.410 39.000 -0.048 0.000 1.315 1418 F HN 0.518 nan 8.300 nan 0.000 0.447 1419 K N 2.318 122.811 120.400 0.154 0.000 2.298 1419 K HA 0.491 4.812 4.320 0.003 0.000 0.280 1419 K C -0.887 175.756 176.600 0.071 0.000 1.032 1419 K CA -0.418 55.902 56.287 0.056 0.000 0.958 1419 K CB 1.805 34.355 32.500 0.084 0.000 0.978 1419 K HN 0.785 nan 8.250 nan 0.000 0.472 1420 I N 4.462 125.046 120.570 0.023 0.000 2.330 1420 I HA 0.132 4.304 4.170 0.003 0.000 0.289 1420 I C -1.346 174.932 176.117 0.268 0.000 1.001 1420 I CA -1.118 60.262 61.300 0.134 0.000 1.193 1420 I CB 0.607 38.624 38.000 0.027 0.000 1.345 1420 I HN 0.344 nan 8.210 nan 0.000 0.461 1421 L N 8.045 129.393 121.223 0.208 0.000 2.275 1421 L HA 0.338 4.680 4.340 0.003 0.000 0.288 1421 L C 0.179 176.984 176.870 -0.108 0.000 1.046 1421 L CA -0.132 54.748 54.840 0.067 0.000 0.805 1421 L CB 1.027 43.091 42.059 0.008 0.000 1.193 1421 L HN 0.495 nan 8.230 nan 0.000 0.426 1422 K N 2.563 122.783 120.400 -0.300 0.000 2.294 1422 K HA 0.005 4.327 4.320 0.003 0.000 0.288 1422 K C 0.769 177.214 176.600 -0.259 0.000 1.072 1422 K CA -0.056 55.858 56.287 -0.622 0.000 0.960 1422 K CB 0.200 32.377 32.500 -0.538 0.000 1.043 1422 K HN 0.517 nan 8.250 nan 0.000 0.455 1423 H N 3.790 122.706 119.070 -0.256 0.000 2.273 1423 H HA 0.052 4.610 4.556 0.003 0.000 0.311 1423 H C -0.536 174.787 175.328 -0.009 0.000 1.057 1423 H CA 1.010 57.016 56.048 -0.070 0.000 1.360 1423 H CB 0.131 29.898 29.762 0.009 0.000 1.414 1423 H HN 0.459 nan 8.280 nan 0.000 0.516 1424 F N 1.933 121.873 119.950 -0.016 0.000 2.469 1424 F HA 0.242 4.771 4.527 0.003 0.000 0.332 1424 F C 0.398 176.145 175.800 -0.088 0.000 1.103 1424 F CA -0.853 57.108 58.000 -0.065 0.000 0.979 1424 F CB 1.052 39.988 39.000 -0.107 0.000 1.137 1424 F HN 0.000 nan 8.300 nan 0.000 0.463 1425 E N 2.440 122.423 120.200 -0.362 0.000 2.390 1425 E HA 0.352 4.704 4.350 0.003 0.000 0.261 1425 E C -1.085 175.523 176.600 0.013 0.000 1.076 1425 E CA 0.051 56.337 56.400 -0.190 0.000 0.905 1425 E CB 1.791 31.337 29.700 -0.256 0.000 0.984 1425 E HN 0.469 nan 8.360 nan 0.000 0.427 1426 V N 0.853 120.799 119.914 0.053 0.000 3.077 1426 V HA 0.541 4.662 4.120 0.003 0.000 0.299 1426 V C -0.668 175.491 176.094 0.109 0.000 1.276 1426 V CA -0.389 61.983 62.300 0.120 0.000 0.993 1426 V CB 2.258 34.171 31.823 0.150 0.000 1.076 1426 V HN 0.676 nan 8.190 nan 0.000 0.434 1427 G N 3.193 112.073 108.800 0.133 0.000 2.338 1427 G HA2 0.552 4.514 3.960 0.003 0.000 0.298 1427 G HA3 0.552 4.514 3.960 0.003 0.000 0.298 1427 G C -0.588 174.464 174.900 0.253 0.000 1.140 1427 G CA -0.261 44.934 45.100 0.159 0.000 0.860 1427 G HN 1.574 nan 8.290 nan 0.000 0.470 1428 F N 1.302 121.302 119.950 0.082 0.000 2.110 1428 F HA -0.201 4.328 4.527 0.003 0.000 0.384 1428 F C -0.027 175.847 175.800 0.124 0.000 1.145 1428 F CA -0.535 57.523 58.000 0.097 0.000 1.279 1428 F CB -0.709 38.330 39.000 0.066 0.000 1.963 1428 F HN 0.485 nan 8.300 nan 0.000 0.745 1429 I N 6.178 126.529 120.570 -0.365 0.000 2.395 1429 I HA 0.168 4.340 4.170 0.003 0.000 0.289 1429 I C 0.577 176.265 176.117 -0.717 0.000 1.023 1429 I CA -0.147 60.949 61.300 -0.341 0.000 1.350 1429 I CB 1.182 39.061 38.000 -0.200 0.000 1.409 1429 I HN 0.547 nan 8.210 nan 0.000 0.507 1430 Q N 7.986 127.534 119.800 -0.420 0.000 2.304 1430 Q HA 0.278 4.619 4.340 0.003 0.000 0.260 1430 Q C -2.213 173.677 176.000 -0.184 0.000 0.965 1430 Q CA -1.788 53.852 55.803 -0.272 0.000 0.898 1430 Q CB 1.037 29.758 28.738 -0.029 0.000 1.196 1430 Q HN 0.304 nan 8.270 nan 0.000 0.402 1431 P HA 0.063 nan 4.420 nan 0.000 0.272 1431 P C -0.471 176.710 177.300 -0.199 0.000 1.223 1431 P CA -0.067 62.961 63.100 -0.120 0.000 0.784 1431 P CB 0.823 32.543 31.700 0.033 0.000 0.923 1432 G N 0.582 109.022 108.800 -0.600 0.000 2.552 1432 G HA2 0.592 4.553 3.960 0.003 0.000 0.318 1432 G HA3 0.592 4.553 3.960 0.003 0.000 0.318 1432 G C -0.817 173.933 174.900 -0.250 0.000 1.240 1432 G CA -0.564 44.251 45.100 -0.475 0.000 1.002 1432 G HN 0.656 nan 8.290 nan 0.000 0.493 1433 S N -1.843 113.825 115.700 -0.054 0.000 2.549 1433 S HA 0.699 5.171 4.470 0.003 0.000 0.280 1433 S C -1.230 173.340 174.600 -0.051 0.000 1.109 1433 S CA -0.709 57.360 58.200 -0.219 0.000 0.905 1433 S CB 2.048 64.883 63.200 -0.608 0.000 1.081 1433 S HN 0.685 nan 8.310 nan 0.000 0.477 1434 V N 2.259 122.104 119.914 -0.115 0.000 2.487 1434 V HA 0.530 4.652 4.120 0.003 0.000 0.298 1434 V C -0.469 175.549 176.094 -0.126 0.000 1.028 1434 V CA -0.652 61.589 62.300 -0.099 0.000 0.860 1434 V CB 1.569 33.331 31.823 -0.103 0.000 0.991 1434 V HN 0.908 nan 8.190 nan 0.000 0.427 1435 K N 3.531 123.879 120.400 -0.086 0.000 2.244 1435 K HA 0.773 5.095 4.320 0.003 0.000 0.260 1435 K C -1.324 175.217 176.600 -0.098 0.000 0.951 1435 K CA -0.711 55.565 56.287 -0.018 0.000 0.826 1435 K CB 2.520 35.100 32.500 0.134 0.000 1.108 1435 K HN 0.435 nan 8.250 nan 0.000 0.433 1436 V N 4.255 124.098 119.914 -0.119 0.000 2.448 1436 V HA 0.482 4.604 4.120 0.003 0.000 0.295 1436 V C -1.116 174.789 176.094 -0.315 0.000 1.025 1436 V CA -0.826 61.238 62.300 -0.393 0.000 0.859 1436 V CB 0.362 31.862 31.823 -0.538 0.000 0.988 1436 V HN 0.780 nan 8.190 nan 0.000 0.431 1437 Y N 1.845 121.898 120.300 -0.413 0.000 2.638 1437 Y HA 0.857 5.410 4.550 0.004 0.000 0.335 1437 Y C -0.287 175.555 175.900 -0.096 0.000 1.155 1437 Y CA -1.103 56.890 58.100 -0.178 0.000 1.046 1437 Y CB 1.417 39.857 38.460 -0.034 0.000 1.303 1437 Y HN 0.568 nan 8.280 nan 0.000 0.460 1438 S N 0.035 115.904 115.700 0.281 0.000 2.677 1438 S HA 0.321 4.792 4.470 0.003 0.000 0.304 1438 S C 0.115 174.848 174.600 0.220 0.000 1.108 1438 S CA -0.585 57.746 58.200 0.218 0.000 0.944 1438 S CB 1.436 64.802 63.200 0.275 0.000 1.127 1438 S HN 0.942 nan 8.310 nan 0.000 0.511 1439 Y N 0.958 121.280 120.300 0.037 0.000 2.114 1439 Y HA -0.215 4.337 4.550 0.003 0.000 0.282 1439 Y C 1.306 177.128 175.900 -0.130 0.000 1.165 1439 Y CA 1.824 59.865 58.100 -0.098 0.000 1.148 1439 Y CB -0.416 37.862 38.460 -0.303 0.000 0.972 1439 Y HN 0.775 nan 8.280 nan 0.000 0.504 1440 Y N -0.132 120.214 120.300 0.077 0.000 2.502 1440 Y HA 0.120 4.671 4.550 0.003 0.000 0.295 1440 Y C 0.129 176.030 175.900 0.003 0.000 1.193 1440 Y CA 0.542 58.641 58.100 -0.002 0.000 1.295 1440 Y CB -0.236 38.297 38.460 0.121 0.000 1.059 1440 Y HN 0.145 nan 8.280 nan 0.000 0.514 1441 N N -0.101 118.682 118.700 0.138 0.000 2.732 1441 N HA 0.235 4.977 4.740 0.003 0.000 0.235 1441 N C 0.105 175.689 175.510 0.123 0.000 1.466 1441 N CA 0.050 53.186 53.050 0.144 0.000 0.751 1441 N CB 0.256 38.883 38.487 0.232 0.000 1.317 1441 N HN 0.078 nan 8.380 nan 0.000 0.525 1442 L N -0.153 121.076 121.223 0.010 0.000 2.127 1442 L HA 0.077 4.419 4.340 0.003 0.000 0.203 1442 L C 1.369 178.157 176.870 -0.137 0.000 1.080 1442 L CA 0.810 55.619 54.840 -0.052 0.000 0.768 1442 L CB -0.014 41.985 42.059 -0.100 0.000 0.924 1442 L HN 0.344 nan 8.230 nan 0.000 0.444 1443 D N 0.074 120.429 120.400 -0.076 0.000 2.144 1443 D HA -0.117 4.524 4.640 0.003 0.000 0.199 1443 D C 0.866 177.142 176.300 -0.040 0.000 0.984 1443 D CA 0.951 54.910 54.000 -0.069 0.000 0.834 1443 D CB -0.025 40.755 40.800 -0.033 0.000 0.955 1443 D HN 0.198 nan 8.370 nan 0.000 0.465 1444 E N 1.536 121.748 120.200 0.020 0.000 1.944 1444 E HA 0.097 4.449 4.350 0.003 0.000 0.272 1444 E C -0.266 176.395 176.600 0.100 0.000 1.195 1444 E CA 0.214 56.657 56.400 0.072 0.000 0.926 1444 E CB 0.368 30.141 29.700 0.122 0.000 1.051 1444 E HN 0.181 nan 8.360 nan 0.000 0.404 1445 K N 1.685 122.110 120.400 0.041 0.000 2.235 1445 K HA 0.235 4.557 4.320 0.003 0.000 0.266 1445 K C -0.556 176.101 176.600 0.096 0.000 0.980 1445 K CA -0.513 55.810 56.287 0.060 0.000 0.849 1445 K CB 1.599 34.050 32.500 -0.082 0.000 1.098 1445 K HN 0.381 nan 8.250 nan 0.000 0.445 1446 c N 3.550 122.231 118.600 0.135 0.000 2.325 1446 c HA 0.404 4.976 4.570 0.003 0.000 0.347 1446 c C -0.157 173.952 174.090 0.033 0.000 1.263 1446 c CA -0.036 56.354 56.329 0.101 0.000 1.806 1446 c CB -0.748 41.850 42.510 0.148 0.000 2.405 1446 c HN 0.728 nan 8.230 nan 0.000 0.537 1447 T N 6.912 121.468 114.554 0.004 0.000 2.797 1447 T HA 0.484 4.836 4.350 0.003 0.000 0.279 1447 T C -0.595 174.042 174.700 -0.105 0.000 0.991 1447 T CA -0.555 61.491 62.100 -0.091 0.000 0.979 1447 T CB 1.142 69.933 68.868 -0.128 0.000 0.943 1447 T HN 0.643 nan 8.240 nan 0.000 0.444 1448 K N 2.064 122.357 120.400 -0.179 0.000 2.328 1448 K HA 0.617 4.939 4.320 0.003 0.000 0.246 1448 K C -1.144 175.313 176.600 -0.237 0.000 0.955 1448 K CA -0.675 55.555 56.287 -0.096 0.000 0.817 1448 K CB 2.222 34.710 32.500 -0.021 0.000 1.208 1448 K HN 0.444 nan 8.250 nan 0.000 0.432 1449 F N 1.077 121.073 119.950 0.076 0.000 2.523 1449 F HA 0.439 4.967 4.527 0.003 0.000 0.329 1449 F C -0.127 175.751 175.800 0.131 0.000 1.061 1449 F CA -0.721 57.320 58.000 0.067 0.000 0.967 1449 F CB 1.220 40.224 39.000 0.007 0.000 1.218 1449 F HN 0.406 nan 8.300 nan 0.000 0.480 1450 Y N 0.003 120.393 120.300 0.150 0.000 2.470 1450 Y HA 0.638 5.189 4.550 0.003 0.000 0.341 1450 Y C -1.586 174.346 175.900 0.053 0.000 1.021 1450 Y CA -1.020 57.112 58.100 0.053 0.000 1.025 1450 Y CB 1.198 39.628 38.460 -0.050 0.000 1.266 1450 Y HN 0.688 nan 8.280 nan 0.000 0.448 1451 H N 4.312 123.368 119.070 -0.025 0.000 2.894 1451 H HA 0.350 4.908 4.556 0.003 0.000 0.367 1451 H C -2.551 172.752 175.328 -0.042 0.000 1.144 1451 H CA -2.401 53.575 56.048 -0.120 0.000 1.180 1451 H CB 3.289 32.980 29.762 -0.118 0.000 1.758 1451 H HN 0.502 nan 8.280 nan 0.000 0.541 1452 P HA -0.042 nan 4.420 nan 0.000 0.226 1452 P C 0.275 177.636 177.300 0.101 0.000 1.153 1452 P CA 1.036 64.100 63.100 -0.059 0.000 0.777 1452 P CB 0.738 32.347 31.700 -0.151 0.000 0.794 1453 D N -1.209 119.393 120.400 0.337 0.000 3.032 1453 D HA 0.042 4.684 4.640 0.003 0.000 0.280 1453 D C 0.451 176.825 176.300 0.123 0.000 1.381 1453 D CA 0.518 54.652 54.000 0.223 0.000 1.068 1453 D CB -0.177 40.756 40.800 0.222 0.000 1.148 1453 D HN -0.064 nan 8.370 nan 0.000 0.401 1454 K N 2.454 122.884 120.400 0.050 0.000 2.351 1454 K HA 0.158 4.479 4.320 0.003 0.000 0.287 1454 K C 1.212 177.850 176.600 0.063 0.000 1.068 1454 K CA -0.076 56.207 56.287 -0.007 0.000 0.998 1454 K CB 0.578 33.006 32.500 -0.119 0.000 0.968 1454 K HN 0.152 nan 8.250 nan 0.000 0.464 1455 G N 2.789 111.623 108.800 0.056 0.000 2.574 1455 G HA2 -0.379 3.582 3.960 0.003 0.000 0.220 1455 G HA3 -0.379 3.582 3.960 0.003 0.000 0.220 1455 G C 1.423 176.372 174.900 0.082 0.000 1.173 1455 G CA 1.880 47.020 45.100 0.066 0.000 0.772 1455 G HN 0.636 nan 8.290 nan 0.000 0.585 1456 T N -2.098 112.495 114.554 0.066 0.000 2.995 1456 T HA 0.302 4.653 4.350 0.003 0.000 0.269 1456 T C 2.079 176.847 174.700 0.112 0.000 1.091 1456 T CA 1.051 63.200 62.100 0.082 0.000 1.128 1456 T CB -0.283 68.617 68.868 0.052 0.000 0.891 1456 T HN 1.595 nan 8.240 nan 0.000 0.492 1457 G N 1.282 110.127 108.800 0.075 0.000 2.153 1457 G HA2 -0.217 3.745 3.960 0.003 0.000 0.252 1457 G HA3 -0.217 3.745 3.960 0.003 0.000 0.252 1457 G C -0.085 174.774 174.900 -0.069 0.000 0.994 1457 G CA 0.296 45.438 45.100 0.069 0.000 0.698 1457 G HN 0.668 nan 8.290 nan 0.000 0.521 1458 L N 0.470 121.633 121.223 -0.100 0.000 2.326 1458 L HA 0.501 4.843 4.340 0.003 0.000 0.278 1458 L C 1.347 178.125 176.870 -0.153 0.000 1.092 1458 L CA -1.063 53.658 54.840 -0.198 0.000 0.810 1458 L CB 1.043 43.031 42.059 -0.119 0.000 1.153 1458 L HN 0.018 nan 8.230 nan 0.000 0.439 1459 L N 3.508 124.627 121.223 -0.172 0.000 2.525 1459 L HA 0.034 4.375 4.340 0.003 0.000 0.278 1459 L C 0.345 177.172 176.870 -0.071 0.000 1.218 1459 L CA -0.067 54.720 54.840 -0.088 0.000 0.878 1459 L CB -0.124 41.889 42.059 -0.076 0.000 1.127 1459 L HN 0.638 nan 8.230 nan 0.000 0.492 1460 N N 4.640 123.312 118.700 -0.048 0.000 2.458 1460 N HA 0.285 5.026 4.740 0.003 0.000 0.270 1460 N C -0.677 174.814 175.510 -0.032 0.000 1.102 1460 N CA -0.254 52.774 53.050 -0.038 0.000 0.967 1460 N CB 1.420 39.889 38.487 -0.030 0.000 1.078 1460 N HN 0.549 nan 8.380 nan 0.000 0.471 1461 K N 0.238 120.623 120.400 -0.025 0.000 2.555 1461 K HA 0.634 4.956 4.320 0.003 0.000 0.279 1461 K C -1.385 175.210 176.600 -0.009 0.000 0.986 1461 K CA -0.800 55.476 56.287 -0.017 0.000 0.880 1461 K CB 1.387 33.874 32.500 -0.022 0.000 1.474 1461 K HN 0.200 nan 8.250 nan 0.000 0.433 1462 I N 1.164 121.733 120.570 -0.002 0.000 2.465 1462 I HA 0.393 4.564 4.170 0.003 0.000 0.291 1462 I C -1.116 175.000 176.117 -0.002 0.000 1.014 1462 I CA -0.347 60.954 61.300 0.001 0.000 1.093 1462 I CB 1.937 39.943 38.000 0.011 0.000 1.267 1462 I HN 0.731 nan 8.210 nan 0.000 0.431 1463 c N 6.478 125.074 118.600 -0.006 0.000 2.563 1463 c HA 0.759 5.331 4.570 0.003 0.000 0.314 1463 c C -0.316 173.767 174.090 -0.011 0.000 1.199 1463 c CA -0.995 55.329 56.329 -0.008 0.000 1.564 1463 c CB 0.916 43.422 42.510 -0.007 0.000 2.173 1463 c HN 0.658 nan 8.230 nan 0.000 0.485 1464 I N 0.485 121.046 120.570 -0.014 0.000 2.447 1464 I HA 0.785 4.956 4.170 0.003 0.000 0.287 1464 I C 0.641 176.748 176.117 -0.016 0.000 1.023 1464 I CA 0.319 61.608 61.300 -0.018 0.000 1.083 1464 I CB 1.268 39.253 38.000 -0.025 0.000 1.245 1464 I HN 0.983 nan 8.210 nan 0.000 0.434 1465 G N 5.897 114.690 108.800 -0.013 0.000 4.825 1465 G HA2 -0.432 3.530 3.960 0.003 0.000 0.224 1465 G HA3 -0.432 3.530 3.960 0.003 0.000 0.224 1465 G C 0.617 175.514 174.900 -0.005 0.000 1.356 1465 G CA 1.345 46.440 45.100 -0.009 0.000 0.966 1465 G HN 1.002 nan 8.290 nan 0.000 0.690 1466 N N -1.644 117.053 118.700 -0.006 0.000 1.842 1466 N HA 0.188 4.930 4.740 0.003 0.000 0.226 1466 N C -0.302 175.206 175.510 -0.004 0.000 1.431 1466 N CA 1.039 54.087 53.050 -0.002 0.000 0.722 1466 N CB 0.767 39.254 38.487 0.001 0.000 1.040 1466 N HN 0.686 nan 8.380 nan 0.000 0.534 1467 V N 1.642 121.551 119.914 -0.007 0.000 2.439 1467 V HA 0.524 4.646 4.120 0.003 0.000 0.282 1467 V C 0.010 176.100 176.094 -0.007 0.000 1.039 1467 V CA -0.720 61.576 62.300 -0.007 0.000 0.913 1467 V CB 0.961 32.778 31.823 -0.011 0.000 0.983 1467 V HN 0.216 nan 8.190 nan 0.000 0.460 1468 c N 5.238 123.836 118.600 -0.004 0.000 2.614 1468 c HA 0.828 5.400 4.570 0.003 0.000 0.320 1468 c C -0.037 174.053 174.090 0.001 0.000 1.200 1468 c CA -0.989 55.339 56.329 -0.003 0.000 1.700 1468 c CB 1.780 44.286 42.510 -0.006 0.000 2.275 1468 c HN 0.875 nan 8.230 nan 0.000 0.492 1469 R N 0.327 120.830 120.500 0.004 0.000 2.771 1469 R HA 0.485 4.827 4.340 0.003 0.000 0.274 1469 R C -1.114 175.188 176.300 0.004 0.000 0.987 1469 R CA -0.428 55.678 56.100 0.010 0.000 0.908 1469 R CB 1.364 31.679 30.300 0.025 0.000 1.213 1469 R HN 0.807 nan 8.270 nan 0.000 0.468 1470 C N 0.803 120.102 119.300 -0.001 0.000 2.702 1470 C HA 0.246 4.708 4.460 0.003 0.000 0.411 1470 C C 1.682 176.667 174.990 -0.008 0.000 1.286 1470 C CA 0.316 59.325 59.018 -0.015 0.000 1.979 1470 C CB 0.253 27.977 27.740 -0.027 0.000 2.728 1470 C HN 0.936 nan 8.230 nan 0.000 0.652 1471 A N 0.554 123.362 122.820 -0.019 0.000 2.340 1471 A HA 0.538 4.860 4.320 0.003 0.000 0.213 1471 A C 1.630 179.199 177.584 -0.025 0.000 1.299 1471 A CA 1.147 53.178 52.037 -0.010 0.000 0.994 1471 A CB -0.444 18.554 19.000 -0.004 0.000 1.132 1471 A HN 2.029 nan 8.150 nan 0.000 0.519 1472 G N -1.530 107.238 108.800 -0.053 0.000 2.383 1472 G HA2 0.022 3.984 3.960 0.003 0.000 0.229 1472 G HA3 0.022 3.984 3.960 0.003 0.000 0.229 1472 G C 1.012 175.881 174.900 -0.051 0.000 1.089 1472 G CA 1.941 46.995 45.100 -0.078 0.000 0.640 1472 G HN 1.974 nan 8.290 nan 0.000 0.510 1473 E N -2.799 117.386 120.200 -0.024 0.000 4.113 1473 E HA -0.120 4.232 4.350 0.003 0.000 0.149 1473 E C 1.803 178.402 176.600 -0.002 0.000 0.938 1473 E CA 2.297 58.692 56.400 -0.009 0.000 2.745 1473 E CB -2.782 nan 29.700 nan 0.000 1.513 1473 E HN 2.522 nan 8.360 nan 0.000 0.633 1474 T N -0.264 114.291 114.554 0.002 0.000 2.829 1474 T HA 0.418 4.770 4.350 0.003 0.000 0.293 1474 T C 0.620 175.316 174.700 -0.007 0.000 0.970 1474 T CA 0.096 62.198 62.100 0.003 0.000 1.168 1474 T CB 0.675 69.548 68.868 0.007 0.000 0.911 1474 T HN 1.298 nan 8.240 nan 0.000 0.535 1475 c N 4.694 123.290 118.600 -0.008 0.000 2.416 1475 c HA 0.570 5.142 4.570 0.003 0.000 0.355 1475 c C 1.289 175.362 174.090 -0.028 0.000 1.211 1475 c CA -0.363 55.959 56.329 -0.011 0.000 1.699 1475 c CB -2.283 40.224 42.510 -0.006 0.000 2.310 1475 c HN 1.105 nan 8.230 nan 0.000 0.539 1476 S N 4.917 120.595 115.700 -0.037 0.000 2.443 1476 S HA 0.521 4.992 4.470 0.003 0.000 0.284 1476 S C 0.595 175.131 174.600 -0.106 0.000 1.206 1476 S CA 0.484 58.641 58.200 -0.072 0.000 1.074 1476 S CB 0.079 63.235 63.200 -0.074 0.000 0.963 1476 S HN 1.271 nan 8.310 nan 0.000 0.501 1477 S N 2.125 117.751 115.700 -0.124 0.000 2.601 1477 S HA 0.659 5.131 4.470 0.003 0.000 0.271 1477 S C 0.247 174.719 174.600 -0.213 0.000 1.305 1477 S CA -0.571 57.546 58.200 -0.139 0.000 1.022 1477 S CB 0.262 63.396 63.200 -0.110 0.000 0.940 1477 S HN 1.045 nan 8.310 nan 0.000 0.525 1478 L N 1.898 123.004 121.223 -0.196 0.000 2.482 1478 L HA 0.258 4.600 4.340 0.003 0.000 0.273 1478 L C -0.389 176.333 176.870 -0.246 0.000 1.228 1478 L CA 0.164 54.866 54.840 -0.230 0.000 0.827 1478 L CB 0.360 42.330 42.059 -0.148 0.000 1.099 1478 L HN 0.668 nan 8.230 nan 0.000 0.494 1479 N N 2.239 120.760 118.700 -0.300 0.000 2.362 1479 N HA 0.372 5.114 4.740 0.003 0.000 0.298 1479 N C -1.379 174.087 175.510 -0.074 0.000 1.048 1479 N CA -0.360 52.506 53.050 -0.307 0.000 0.858 1479 N CB 1.181 39.242 38.487 -0.710 0.000 1.218 1479 N HN 0.583 nan 8.380 nan 0.000 0.488 1480 H N 1.482 120.484 119.070 -0.114 0.000 3.287 1480 H HA 0.309 4.866 4.556 0.003 0.000 0.330 1480 H C -1.067 174.244 175.328 -0.027 0.000 1.064 1480 H CA 0.308 56.333 56.048 -0.039 0.000 1.544 1480 H CB 0.536 30.279 29.762 -0.031 0.000 1.918 1480 H HN 0.702 nan 8.280 nan 0.000 0.477 1481 Q N 3.056 122.883 119.800 0.045 0.000 2.235 1481 Q HA -0.097 4.244 4.340 0.003 0.000 0.293 1481 Q C -0.311 175.508 176.000 -0.302 0.000 1.193 1481 Q CA 1.281 57.009 55.803 -0.124 0.000 0.631 1481 Q CB -2.789 25.864 28.738 -0.142 0.000 0.921 1481 Q HN 0.919 nan 8.270 nan 0.000 0.333 1482 E N -0.822 119.327 120.200 -0.086 0.000 2.256 1482 E HA 0.367 4.719 4.350 0.003 0.000 0.198 1482 E C 1.265 177.843 176.600 -0.037 0.000 0.908 1482 E CA 0.832 57.210 56.400 -0.037 0.000 0.915 1482 E CB 0.753 30.502 29.700 0.081 0.000 0.890 1482 E HN 1.228 nan 8.360 nan 0.000 0.484 1483 R N 1.926 122.404 120.500 -0.037 0.000 2.468 1483 R HA 0.356 4.698 4.340 0.003 0.000 0.302 1483 R C -0.542 175.709 176.300 -0.082 0.000 1.041 1483 R CA -0.491 55.582 56.100 -0.045 0.000 0.899 1483 R CB -0.104 30.184 30.300 -0.020 0.000 1.167 1483 R HN 0.005 nan 8.270 nan 0.000 0.483 1484 I N 2.490 122.975 120.570 -0.142 0.000 2.505 1484 I HA 0.056 4.228 4.170 0.003 0.000 0.287 1484 I C -0.035 175.994 176.117 -0.147 0.000 1.104 1484 I CA -0.153 61.019 61.300 -0.214 0.000 1.387 1484 I CB 1.249 38.998 38.000 -0.418 0.000 1.404 1484 I HN 0.649 nan 8.210 nan 0.000 0.528 1485 D N 7.271 127.599 120.400 -0.120 0.000 2.455 1485 D HA 0.084 4.725 4.640 0.003 0.000 0.234 1485 D C 1.158 177.401 176.300 -0.095 0.000 1.224 1485 D CA -0.109 53.842 54.000 -0.083 0.000 0.999 1485 D CB 0.870 41.633 40.800 -0.061 0.000 1.072 1485 D HN 0.314 nan 8.370 nan 0.000 0.514 1486 V N 5.413 125.287 119.914 -0.067 0.000 2.287 1486 V HA -0.181 3.941 4.120 0.003 0.000 0.248 1486 V C -0.636 175.470 176.094 0.019 0.000 1.053 1486 V CA 1.516 63.811 62.300 -0.008 0.000 1.027 1486 V CB -1.226 30.623 31.823 0.044 0.000 0.646 1486 V HN 0.492 nan 8.190 nan 0.000 0.447 1487 P HA -0.138 nan 4.420 nan 0.000 0.216 1487 P C 1.933 179.206 177.300 -0.045 0.000 1.153 1487 P CA 1.179 64.267 63.100 -0.020 0.000 0.848 1487 P CB -0.065 31.621 31.700 -0.024 0.000 0.787 1488 L N -0.693 120.494 121.223 -0.060 0.000 2.156 1488 L HA -0.112 4.230 4.340 0.003 0.000 0.208 1488 L C 2.296 179.090 176.870 -0.126 0.000 1.095 1488 L CA 1.810 56.602 54.840 -0.080 0.000 0.770 1488 L CB -1.057 40.963 42.059 -0.066 0.000 0.914 1488 L HN -0.090 nan 8.230 nan 0.000 0.439 1489 Q N -0.206 119.504 119.800 -0.150 0.000 2.079 1489 Q HA -0.181 4.161 4.340 0.003 0.000 0.200 1489 Q C 2.308 178.208 176.000 -0.167 0.000 0.974 1489 Q CA 2.205 57.861 55.803 -0.246 0.000 0.840 1489 Q CB -0.302 28.181 28.738 -0.424 0.000 0.898 1489 Q HN 0.827 nan 8.270 nan 0.000 0.430 1490 I N -1.395 119.179 120.570 0.007 0.000 2.208 1490 I HA -0.269 3.902 4.170 0.003 0.000 0.245 1490 I C 2.228 178.242 176.117 -0.171 0.000 1.097 1490 I CA 1.758 63.037 61.300 -0.036 0.000 1.363 1490 I CB -0.512 37.459 38.000 -0.047 0.000 1.051 1490 I HN 0.145 nan 8.210 nan 0.000 0.413 1491 E N 1.712 121.822 120.200 -0.149 0.000 2.070 1491 E HA -0.276 4.076 4.350 0.003 0.000 0.197 1491 E C 2.191 178.658 176.600 -0.222 0.000 1.004 1491 E CA 1.767 58.073 56.400 -0.157 0.000 0.805 1491 E CB 0.003 29.635 29.700 -0.113 0.000 0.744 1491 E HN 0.589 nan 8.360 nan 0.000 0.451 1492 K N -0.258 119.971 120.400 -0.286 0.000 2.025 1492 K HA -0.072 4.250 4.320 0.003 0.000 0.207 1492 K C 1.913 178.108 176.600 -0.674 0.000 1.049 1492 K CA 1.051 57.116 56.287 -0.369 0.000 0.933 1492 K CB -0.079 32.212 32.500 -0.348 0.000 0.714 1492 K HN 0.080 nan 8.250 nan 0.000 0.438 1493 A N 0.056 122.301 122.820 -0.959 0.000 2.261 1493 A HA -0.026 4.296 4.320 0.003 0.000 0.208 1493 A C 1.467 178.669 177.584 -0.636 0.000 1.223 1493 A CA 0.509 51.813 52.037 -1.222 0.000 0.833 1493 A CB -0.422 17.935 19.000 -1.073 0.000 0.830 1493 A HN 0.368 nan 8.150 nan 0.000 0.483 1494 c N -1.123 117.219 118.600 -0.430 0.000 3.724 1494 c HA 0.246 4.818 4.570 0.003 0.000 0.327 1494 c C 0.785 174.754 174.090 -0.202 0.000 1.490 1494 c CA -0.600 55.568 56.329 -0.269 0.000 1.825 1494 c CB -0.736 41.651 42.510 -0.205 0.000 2.613 1494 c HN 0.627 nan 8.230 nan 0.000 0.692 1495 E N 1.105 121.179 120.200 -0.210 0.000 2.418 1495 E HA 0.110 4.461 4.350 0.003 0.000 0.261 1495 E C 1.218 177.750 176.600 -0.113 0.000 1.070 1495 E CA 0.347 56.665 56.400 -0.137 0.000 0.931 1495 E CB 0.692 30.324 29.700 -0.114 0.000 0.954 1495 E HN 0.277 nan 8.360 nan 0.000 0.439 1496 T N 2.176 116.686 114.554 -0.073 0.000 2.515 1496 T HA -0.290 4.062 4.350 0.003 0.000 0.246 1496 T C 1.135 175.805 174.700 -0.049 0.000 1.268 1496 T CA 1.951 64.021 62.100 -0.050 0.000 1.136 1496 T CB -0.401 68.449 68.868 -0.030 0.000 0.847 1496 T HN 0.444 nan 8.240 nan 0.000 0.442 1497 N N 1.308 119.984 118.700 -0.040 0.000 2.575 1497 N HA 0.070 4.812 4.740 0.003 0.000 0.192 1497 N C -0.431 175.056 175.510 -0.037 0.000 1.200 1497 N CA 0.117 53.155 53.050 -0.020 0.000 0.897 1497 N CB -0.160 38.330 38.487 0.005 0.000 0.990 1497 N HN 0.285 nan 8.380 nan 0.000 0.449 1498 V N 1.305 121.159 119.914 -0.101 0.000 2.318 1498 V HA 0.150 4.272 4.120 0.003 0.000 0.271 1498 V C 0.249 176.248 176.094 -0.159 0.000 1.030 1498 V CA -0.451 61.741 62.300 -0.180 0.000 0.844 1498 V CB 1.566 33.154 31.823 -0.391 0.000 1.015 1498 V HN -0.064 nan 8.190 nan 0.000 0.460 1499 D N 2.598 122.932 120.400 -0.110 0.000 2.338 1499 D HA 0.136 4.778 4.640 0.003 0.000 0.208 1499 D C 0.056 176.397 176.300 0.067 0.000 0.997 1499 D CA 1.013 55.022 54.000 0.015 0.000 0.880 1499 D CB 0.403 41.281 40.800 0.130 0.000 0.980 1499 D HN 0.687 nan 8.370 nan 0.000 0.509 1500 Y N -1.920 118.314 120.300 -0.111 0.000 2.562 1500 Y HA 0.675 5.227 4.550 0.003 0.000 0.345 1500 Y C -1.376 174.387 175.900 -0.229 0.000 1.045 1500 Y CA -1.471 56.499 58.100 -0.217 0.000 1.028 1500 Y CB 1.369 39.566 38.460 -0.439 0.000 1.297 1500 Y HN -0.344 nan 8.280 nan 0.000 0.463 1501 V N 4.008 123.865 119.914 -0.095 0.000 2.462 1501 V HA 0.383 4.505 4.120 0.003 0.000 0.288 1501 V C -1.442 174.844 176.094 0.320 0.000 1.020 1501 V CA -0.735 61.612 62.300 0.078 0.000 0.857 1501 V CB 0.523 32.421 31.823 0.125 0.000 1.013 1501 V HN 0.718 nan 8.190 nan 0.000 0.431 1502 Y N 1.938 122.487 120.300 0.415 0.000 2.549 1502 Y HA 0.639 5.190 4.550 0.003 0.000 0.339 1502 Y C 0.179 176.289 175.900 0.350 0.000 1.053 1502 Y CA -2.181 56.112 58.100 0.321 0.000 1.105 1502 Y CB 1.603 40.209 38.460 0.244 0.000 1.258 1502 Y HN 0.512 nan 8.280 nan 0.000 0.478 1503 K N 1.248 121.905 120.400 0.428 0.000 2.185 1503 K HA 0.600 4.921 4.320 0.003 0.000 0.269 1503 K C -0.633 176.056 176.600 0.147 0.000 0.987 1503 K CA -0.294 56.147 56.287 0.258 0.000 0.865 1503 K CB 0.834 33.245 32.500 -0.150 0.000 1.090 1503 K HN 0.911 nan 8.250 nan 0.000 0.450 1504 T N 0.522 115.173 114.554 0.161 0.000 2.888 1504 T HA 0.500 4.852 4.350 0.003 0.000 0.288 1504 T C -1.113 173.644 174.700 0.096 0.000 1.063 1504 T CA -0.990 61.190 62.100 0.133 0.000 1.010 1504 T CB 1.584 70.565 68.868 0.187 0.000 1.214 1504 T HN 0.439 nan 8.240 nan 0.000 0.533 1505 K N 0.729 121.195 120.400 0.109 0.000 2.507 1505 K HA 0.571 4.893 4.320 0.003 0.000 0.252 1505 K C -1.418 175.282 176.600 0.167 0.000 0.943 1505 K CA -0.943 55.401 56.287 0.096 0.000 0.808 1505 K CB 1.317 33.842 32.500 0.042 0.000 1.142 1505 K HN 0.567 nan 8.250 nan 0.000 0.426 1506 L N 6.808 128.170 121.223 0.231 0.000 2.462 1506 L HA 0.205 4.547 4.340 0.003 0.000 0.283 1506 L C 0.174 177.145 176.870 0.168 0.000 1.166 1506 L CA 0.515 55.492 54.840 0.228 0.000 0.964 1506 L CB -0.369 41.876 42.059 0.309 0.000 1.294 1506 L HN 0.903 nan 8.230 nan 0.000 0.449 1507 L N 4.215 125.526 121.223 0.147 0.000 2.027 1507 L HA 0.012 4.353 4.340 0.003 0.000 0.206 1507 L C 0.853 177.788 176.870 0.108 0.000 1.074 1507 L CA 0.967 55.874 54.840 0.113 0.000 0.745 1507 L CB -0.273 41.845 42.059 0.099 0.000 0.898 1507 L HN 0.688 nan 8.230 nan 0.000 0.433 1508 R N -0.724 119.852 120.500 0.126 0.000 2.634 1508 R HA 0.461 4.803 4.340 0.003 0.000 0.263 1508 R C -1.335 175.050 176.300 0.143 0.000 1.060 1508 R CA -0.756 55.413 56.100 0.115 0.000 0.898 1508 R CB 1.532 31.880 30.300 0.079 0.000 1.253 1508 R HN -0.046 nan 8.270 nan 0.000 0.461 1509 I N 1.397 122.048 120.570 0.134 0.000 2.377 1509 I HA 0.432 4.604 4.170 0.003 0.000 0.293 1509 I C -0.791 175.340 176.117 0.024 0.000 0.987 1509 I CA -0.387 60.982 61.300 0.115 0.000 1.185 1509 I CB 1.647 39.761 38.000 0.190 0.000 1.341 1509 I HN 0.826 nan 8.210 nan 0.000 0.455 1510 E N 4.324 124.500 120.200 -0.040 0.000 2.440 1510 E HA 0.663 5.014 4.350 0.003 0.000 0.263 1510 E C -1.195 175.351 176.600 -0.090 0.000 0.938 1510 E CA -0.707 55.666 56.400 -0.045 0.000 0.831 1510 E CB 1.572 31.259 29.700 -0.023 0.000 1.456 1510 E HN 0.618 nan 8.360 nan 0.000 0.427 1511 E N 0.398 120.560 120.200 -0.063 0.000 2.502 1511 E HA 0.507 4.859 4.350 0.003 0.000 0.261 1511 E C -0.425 176.147 176.600 -0.047 0.000 0.974 1511 E CA -0.223 56.136 56.400 -0.067 0.000 0.795 1511 E CB 0.833 30.501 29.700 -0.053 0.000 1.385 1511 E HN 0.495 nan 8.360 nan 0.000 0.400 1512 Q N -0.441 119.330 119.800 -0.049 0.000 2.204 1512 Q HA 0.640 4.982 4.340 0.003 0.000 0.175 1512 Q C 1.745 177.726 176.000 -0.032 0.000 1.020 1512 Q CA 0.917 56.699 55.803 -0.035 0.000 1.078 1512 Q CB -0.952 27.766 28.738 -0.033 0.000 1.228 1512 Q HN 1.332 nan 8.270 nan 0.000 0.550 1513 D N -0.737 119.648 120.400 -0.025 0.000 2.218 1513 D HA -0.079 4.563 4.640 0.003 0.000 0.194 1513 D C 1.503 177.790 176.300 -0.022 0.000 1.007 1513 D CA 2.031 56.019 54.000 -0.020 0.000 0.879 1513 D CB -0.648 40.143 40.800 -0.016 0.000 0.918 1513 D HN 1.105 nan 8.370 nan 0.000 0.449 1514 G N -2.256 106.526 108.800 -0.029 0.000 3.678 1514 G HA2 0.418 4.380 3.960 0.003 0.000 0.287 1514 G HA3 0.418 4.380 3.960 0.003 0.000 0.287 1514 G C 1.099 175.973 174.900 -0.042 0.000 1.280 1514 G CA 1.322 46.404 45.100 -0.029 0.000 1.118 1514 G HN 1.319 nan 8.290 nan 0.000 0.563 1515 N N -0.208 118.466 118.700 -0.044 0.000 1.904 1515 N HA -0.253 4.488 4.740 0.003 0.000 0.217 1515 N C 0.342 175.797 175.510 -0.092 0.000 1.020 1515 N CA 1.810 54.829 53.050 -0.052 0.000 3.606 1515 N CB -1.742 36.723 38.487 -0.037 0.000 0.733 1515 N HN 0.438 nan 8.380 nan 0.000 0.351 1516 D N 0.064 120.382 120.400 -0.136 0.000 2.863 1516 D HA 0.650 5.291 4.640 0.003 0.000 0.245 1516 D C -0.994 175.118 176.300 -0.314 0.000 1.211 1516 D CA -0.222 53.610 54.000 -0.280 0.000 0.888 1516 D CB 1.228 41.803 40.800 -0.375 0.000 1.483 1516 D HN 0.622 nan 8.370 nan 0.000 0.533 1517 I N 2.671 123.045 120.570 -0.326 0.000 2.410 1517 I HA 0.229 4.401 4.170 0.003 0.000 0.286 1517 I C -0.846 175.145 176.117 -0.209 0.000 1.009 1517 I CA -0.666 60.510 61.300 -0.206 0.000 1.111 1517 I CB 0.723 38.675 38.000 -0.079 0.000 1.262 1517 I HN 0.207 nan 8.210 nan 0.000 0.443 1518 Y N 5.196 125.554 120.300 0.097 0.000 2.454 1518 Y HA 0.347 4.898 4.550 0.003 0.000 0.345 1518 Y C 0.491 176.483 175.900 0.153 0.000 0.970 1518 Y CA -0.805 57.358 58.100 0.106 0.000 1.204 1518 Y CB 1.100 39.614 38.460 0.090 0.000 1.122 1518 Y HN 0.232 nan 8.280 nan 0.000 0.514 1519 V N 5.665 125.731 119.914 0.253 0.000 2.488 1519 V HA 0.338 4.460 4.120 0.003 0.000 0.277 1519 V C 0.164 176.396 176.094 0.229 0.000 1.046 1519 V CA -0.354 62.070 62.300 0.207 0.000 0.986 1519 V CB 0.598 32.499 31.823 0.130 0.000 0.989 1519 V HN 0.781 nan 8.190 nan 0.000 0.475 1520 M N 3.449 123.208 119.600 0.265 0.000 2.550 1520 M HA 0.513 4.995 4.480 0.003 0.000 0.292 1520 M C -1.549 174.892 176.300 0.236 0.000 1.221 1520 M CA -0.596 54.856 55.300 0.254 0.000 0.873 1520 M CB 2.714 35.490 32.600 0.293 0.000 1.727 1520 M HN 0.582 nan 8.290 nan 0.000 0.459 1521 D N 0.876 121.380 120.400 0.174 0.000 2.505 1521 D HA 0.464 5.106 4.640 0.003 0.000 0.249 1521 D C -1.230 175.125 176.300 0.091 0.000 1.082 1521 D CA -0.228 53.852 54.000 0.133 0.000 0.839 1521 D CB 2.121 42.972 40.800 0.086 0.000 1.317 1521 D HN 0.223 nan 8.370 nan 0.000 0.497 1522 V N 5.618 125.563 119.914 0.051 0.000 2.415 1522 V HA 0.089 4.211 4.120 0.003 0.000 0.267 1522 V C 1.538 177.604 176.094 -0.047 0.000 1.042 1522 V CA 0.043 62.313 62.300 -0.050 0.000 1.000 1522 V CB 0.516 32.174 31.823 -0.274 0.000 1.015 1522 V HN 0.574 nan 8.190 nan 0.000 0.478 1523 L N 3.228 124.428 121.223 -0.039 0.000 2.034 1523 L HA 0.190 4.532 4.340 0.003 0.000 0.203 1523 L C 0.882 177.711 176.870 -0.068 0.000 1.074 1523 L CA 1.201 56.000 54.840 -0.068 0.000 0.748 1523 L CB 0.033 42.017 42.059 -0.124 0.000 0.905 1523 L HN 0.590 nan 8.230 nan 0.000 0.439 1524 E N -1.069 119.103 120.200 -0.045 0.000 2.317 1524 E HA 0.441 4.793 4.350 0.003 0.000 0.270 1524 E C -1.426 175.222 176.600 0.079 0.000 0.885 1524 E CA -0.564 55.835 56.400 -0.002 0.000 0.760 1524 E CB 3.199 32.897 29.700 -0.004 0.000 1.227 1524 E HN -0.245 nan 8.360 nan 0.000 0.434 1525 V N 3.956 123.918 119.914 0.080 0.000 2.357 1525 V HA 0.241 4.363 4.120 0.003 0.000 0.284 1525 V C 0.404 176.615 176.094 0.195 0.000 1.018 1525 V CA -0.071 62.337 62.300 0.179 0.000 0.841 1525 V CB 0.905 32.772 31.823 0.073 0.000 0.991 1525 V HN 0.694 nan 8.190 nan 0.000 0.437 1526 I N 2.655 123.386 120.570 0.269 0.000 3.172 1526 I HA 0.282 4.454 4.170 0.003 0.000 0.278 1526 I C 0.946 177.108 176.117 0.075 0.000 1.174 1526 I CA 0.591 61.973 61.300 0.138 0.000 1.445 1526 I CB 0.355 38.447 38.000 0.154 0.000 1.175 1526 I HN 0.420 nan 8.210 nan 0.000 0.447 1527 K N 1.420 121.905 120.400 0.143 0.000 2.498 1527 K HA 0.405 4.726 4.320 0.003 0.000 0.254 1527 K C -1.481 175.240 176.600 0.202 0.000 0.933 1527 K CA -0.496 55.846 56.287 0.092 0.000 0.806 1527 K CB 2.515 35.009 32.500 -0.011 0.000 1.301 1527 K HN -0.080 nan 8.250 nan 0.000 0.432 1528 Q N 1.348 121.253 119.800 0.175 0.000 2.312 1528 Q HA 0.464 4.806 4.340 0.003 0.000 0.263 1528 Q C -0.152 175.966 176.000 0.196 0.000 0.995 1528 Q CA -0.701 55.246 55.803 0.241 0.000 0.853 1528 Q CB 1.761 30.603 28.738 0.174 0.000 1.300 1528 Q HN 0.858 nan 8.270 nan 0.000 0.448 1529 G N 0.317 109.269 108.800 0.252 0.000 2.621 1529 G HA2 0.092 4.054 3.960 0.003 0.000 0.271 1529 G HA3 0.092 4.054 3.960 0.003 0.000 0.271 1529 G C 0.906 175.895 174.900 0.148 0.000 1.236 1529 G CA 0.210 45.434 45.100 0.206 0.000 0.958 1529 G HN 0.806 nan 8.290 nan 0.000 0.512 1530 T N -1.201 113.427 114.554 0.123 0.000 2.653 1530 T HA -0.231 4.120 4.350 0.003 0.000 0.268 1530 T C 1.090 175.842 174.700 0.088 0.000 1.035 1530 T CA 1.571 63.725 62.100 0.090 0.000 1.154 1530 T CB -0.377 68.536 68.868 0.076 0.000 0.862 1530 T HN 0.465 nan 8.240 nan 0.000 0.441 1531 D N 3.390 123.853 120.400 0.104 0.000 2.385 1531 D HA 0.075 4.716 4.640 0.003 0.000 0.260 1531 D C 0.157 176.523 176.300 0.110 0.000 1.326 1531 D CA -0.173 53.883 54.000 0.092 0.000 1.023 1531 D CB 0.065 40.920 40.800 0.091 0.000 1.083 1531 D HN 0.613 nan 8.370 nan 0.000 0.517 1532 E N 3.159 123.410 120.200 0.084 0.000 1.892 1532 E HA 0.128 4.480 4.350 0.003 0.000 0.271 1532 E C -0.258 176.382 176.600 0.066 0.000 1.146 1532 E CA -0.429 56.021 56.400 0.082 0.000 1.096 1532 E CB -0.251 29.485 29.700 0.061 0.000 1.155 1532 E HN 0.465 nan 8.360 nan 0.000 0.458 1533 N N 1.346 120.093 118.700 0.077 0.000 2.240 1533 N HA 0.022 4.764 4.740 0.003 0.000 0.219 1533 N C -2.407 173.128 175.510 0.042 0.000 1.407 1533 N CA -0.483 52.597 53.050 0.049 0.000 1.137 1533 N CB -0.859 37.647 38.487 0.033 0.000 1.202 1533 N HN 0.259 nan 8.380 nan 0.000 0.581 1534 P HA 0.224 nan 4.420 nan 0.000 0.306 1534 P C 0.654 177.945 177.300 -0.015 0.000 1.301 1534 P CA 0.088 63.213 63.100 0.042 0.000 0.744 1534 P CB 0.963 32.642 31.700 -0.036 0.000 1.400 1535 R N -2.928 117.558 120.500 -0.024 0.000 3.606 1535 R HA -0.201 4.140 4.340 0.003 0.000 0.439 1535 R C 1.388 177.687 176.300 -0.002 0.000 0.585 1535 R CA 1.047 57.122 56.100 -0.041 0.000 1.521 1535 R CB -2.207 28.051 30.300 -0.071 0.000 2.112 1535 R HN 0.564 nan 8.270 nan 0.000 0.375 1536 A N 0.766 123.586 122.820 0.000 0.000 2.251 1536 A HA 0.184 4.506 4.320 0.003 0.000 0.209 1536 A C 0.177 177.751 177.584 -0.016 0.000 1.187 1536 A CA 0.540 52.573 52.037 -0.007 0.000 0.823 1536 A CB 0.209 19.203 19.000 -0.010 0.000 0.846 1536 A HN 0.208 nan 8.150 nan 0.000 0.486 1537 K N 0.390 120.780 120.400 -0.017 0.000 2.513 1537 K HA 0.368 4.689 4.320 0.003 0.000 0.251 1537 K C -0.754 175.813 176.600 -0.056 0.000 0.939 1537 K CA -0.348 55.895 56.287 -0.073 0.000 0.793 1537 K CB 1.876 34.281 32.500 -0.160 0.000 1.241 1537 K HN 0.183 nan 8.250 nan 0.000 0.431 1538 T N -0.346 114.188 114.554 -0.033 0.000 2.870 1538 T HA 0.154 4.505 4.350 0.003 0.000 0.300 1538 T C 0.104 174.795 174.700 -0.015 0.000 0.989 1538 T CA -0.376 61.752 62.100 0.046 0.000 1.139 1538 T CB 0.240 69.136 68.868 0.046 0.000 0.920 1538 T HN 0.375 nan 8.240 nan 0.000 0.537 1539 H N 2.281 121.395 119.070 0.074 0.000 2.487 1539 H HA 0.291 4.849 4.556 0.003 0.000 0.333 1539 H C 0.103 175.496 175.328 0.108 0.000 1.114 1539 H CA -0.563 55.530 56.048 0.076 0.000 1.310 1539 H CB 1.254 31.159 29.762 0.240 0.000 1.462 1539 H HN 0.648 nan 8.280 nan 0.000 0.516 1540 Q N 2.293 122.122 119.800 0.048 0.000 2.322 1540 Q HA 0.281 4.623 4.340 0.003 0.000 0.265 1540 Q C -1.280 174.716 176.000 -0.007 0.000 0.985 1540 Q CA -0.601 55.242 55.803 0.067 0.000 0.849 1540 Q CB 1.673 30.397 28.738 -0.024 0.000 1.274 1540 Q HN 0.497 nan 8.270 nan 0.000 0.449 1541 Y N 2.158 122.588 120.300 0.218 0.000 2.341 1541 Y HA 0.489 5.041 4.550 0.003 0.000 0.338 1541 Y C -0.437 175.596 175.900 0.221 0.000 0.965 1541 Y CA -0.620 57.634 58.100 0.256 0.000 1.108 1541 Y CB 1.171 39.795 38.460 0.273 0.000 1.180 1541 Y HN 0.463 nan 8.280 nan 0.000 0.458 1542 I N 2.594 123.316 120.570 0.254 0.000 2.436 1542 I HA 0.556 4.728 4.170 0.003 0.000 0.289 1542 I C -0.337 175.859 176.117 0.133 0.000 1.010 1542 I CA -0.326 61.045 61.300 0.118 0.000 1.098 1542 I CB 1.974 39.998 38.000 0.041 0.000 1.266 1542 I HN 0.473 nan 8.210 nan 0.000 0.434 1543 S N 4.105 119.854 115.700 0.081 0.000 2.556 1543 S HA 0.505 4.977 4.470 0.003 0.000 0.271 1543 S C -1.111 173.503 174.600 0.023 0.000 1.135 1543 S CA -0.713 57.539 58.200 0.086 0.000 0.858 1543 S CB 1.456 64.760 63.200 0.173 0.000 1.114 1543 S HN 0.573 nan 8.310 nan 0.000 0.468 1544 Q N 1.502 121.316 119.800 0.024 0.000 2.392 1544 Q HA 0.360 4.701 4.340 0.003 0.000 0.262 1544 Q C 1.775 177.779 176.000 0.007 0.000 1.003 1544 Q CA 0.426 56.232 55.803 0.006 0.000 0.888 1544 Q CB 0.306 29.049 28.738 0.007 0.000 1.260 1544 Q HN 0.781 nan 8.270 nan 0.000 0.435 1545 R N 2.132 122.628 120.500 -0.006 0.000 2.170 1545 R HA -0.193 4.149 4.340 0.003 0.000 0.242 1545 R C 2.111 178.418 176.300 0.012 0.000 1.145 1545 R CA 2.299 58.398 56.100 -0.001 0.000 0.984 1545 R CB -1.815 28.481 30.300 -0.008 0.000 0.869 1545 R HN 0.688 nan 8.270 nan 0.000 0.455 1546 K N -0.762 119.644 120.400 0.011 0.000 2.574 1546 K HA 0.113 4.435 4.320 0.003 0.000 0.193 1546 K C 1.485 178.096 176.600 0.017 0.000 1.035 1546 K CA 1.131 57.425 56.287 0.012 0.000 0.982 1546 K CB -1.278 31.227 32.500 0.008 0.000 0.795 1546 K HN 0.639 nan 8.250 nan 0.000 0.491 1547 c N -0.441 118.176 118.600 0.028 0.000 3.386 1547 c HA 0.226 4.798 4.570 0.003 0.000 0.279 1547 c C 2.183 176.309 174.090 0.060 0.000 1.508 1547 c CA -0.455 55.896 56.329 0.037 0.000 1.801 1547 c CB -0.014 42.521 42.510 0.042 0.000 2.798 1547 c HN 0.740 nan 8.230 nan 0.000 0.605 1548 Q N 2.000 121.839 119.800 0.065 0.000 2.096 1548 Q HA -0.204 4.138 4.340 0.003 0.000 0.204 1548 Q C 1.940 177.970 176.000 0.050 0.000 0.982 1548 Q CA 2.096 57.950 55.803 0.085 0.000 0.850 1548 Q CB 0.029 28.804 28.738 0.062 0.000 0.901 1548 Q HN 0.675 nan 8.270 nan 0.000 0.422 1549 E N -0.665 119.551 120.200 0.026 0.000 2.012 1549 E HA -0.175 4.177 4.350 0.003 0.000 0.197 1549 E C 1.743 178.339 176.600 -0.007 0.000 1.007 1549 E CA 1.674 58.079 56.400 0.009 0.000 0.816 1549 E CB -0.461 29.241 29.700 0.004 0.000 0.762 1549 E HN 0.420 nan 8.360 nan 0.000 0.451 1550 A N 0.151 122.962 122.820 -0.015 0.000 1.930 1550 A HA -0.024 4.298 4.320 0.003 0.000 0.217 1550 A C 0.998 178.544 177.584 -0.064 0.000 1.175 1550 A CA 0.772 52.785 52.037 -0.039 0.000 0.627 1550 A CB -0.484 18.491 19.000 -0.042 0.000 0.815 1550 A HN 0.243 nan 8.150 nan 0.000 0.443 1551 L N 1.167 122.352 121.223 -0.063 0.000 2.334 1551 L HA 0.194 4.536 4.340 0.003 0.000 0.286 1551 L C 0.474 177.277 176.870 -0.112 0.000 1.108 1551 L CA -0.436 54.330 54.840 -0.124 0.000 0.875 1551 L CB -0.019 41.958 42.059 -0.137 0.000 1.246 1551 L HN 0.150 nan 8.230 nan 0.000 0.439 1552 N N 3.477 122.121 118.700 -0.093 0.000 2.623 1552 N HA 0.152 4.893 4.740 0.003 0.000 0.263 1552 N C -0.182 175.313 175.510 -0.027 0.000 1.218 1552 N CA -0.118 52.909 53.050 -0.038 0.000 0.949 1552 N CB -0.041 38.439 38.487 -0.010 0.000 1.270 1552 N HN 0.462 nan 8.380 nan 0.000 0.507 1553 L N 0.620 121.758 121.223 -0.143 0.000 2.462 1553 L HA 0.119 4.461 4.340 0.003 0.000 0.272 1553 L C 0.517 177.411 176.870 0.041 0.000 1.166 1553 L CA 0.248 54.993 54.840 -0.158 0.000 0.880 1553 L CB 0.250 41.935 42.059 -0.623 0.000 1.142 1553 L HN 0.010 nan 8.230 nan 0.000 0.473 1554 K N 2.096 122.616 120.400 0.200 0.000 2.259 1554 K HA 0.457 4.779 4.320 0.003 0.000 0.249 1554 K C -0.705 176.008 176.600 0.188 0.000 0.942 1554 K CA -0.786 55.595 56.287 0.157 0.000 0.816 1554 K CB 2.693 35.266 32.500 0.122 0.000 1.155 1554 K HN 0.288 nan 8.250 nan 0.000 0.428 1555 V N 3.577 123.575 119.914 0.140 0.000 2.740 1555 V HA -0.040 4.081 4.120 0.003 0.000 0.303 1555 V C 0.158 176.325 176.094 0.121 0.000 1.054 1555 V CA 0.577 62.959 62.300 0.135 0.000 1.106 1555 V CB 0.053 31.939 31.823 0.104 0.000 0.957 1555 V HN 0.910 nan 8.190 nan 0.000 0.486 1556 N N 2.679 121.455 118.700 0.127 0.000 2.900 1556 N HA -0.159 4.583 4.740 0.003 0.000 0.240 1556 N C -0.190 175.419 175.510 0.165 0.000 0.953 1556 N CA 1.531 54.652 53.050 0.118 0.000 0.950 1556 N CB -1.238 37.293 38.487 0.073 0.000 1.102 1556 N HN 0.836 nan 8.380 nan 0.000 0.593 1557 D N 1.286 121.748 120.400 0.103 0.000 2.302 1557 D HA 0.242 4.883 4.640 0.003 0.000 0.248 1557 D C 0.010 176.054 176.300 -0.426 0.000 1.094 1557 D CA 0.100 54.032 54.000 -0.114 0.000 0.897 1557 D CB 0.519 41.182 40.800 -0.228 0.000 1.200 1557 D HN 0.050 nan 8.370 nan 0.000 0.429 1558 D N 0.830 120.846 120.400 -0.639 0.000 2.255 1558 D HA 0.290 4.932 4.640 0.003 0.000 0.249 1558 D C -0.628 175.300 176.300 -0.620 0.000 1.078 1558 D CA 0.157 53.851 54.000 -0.511 0.000 0.896 1558 D CB 0.474 40.952 40.800 -0.537 0.000 1.194 1558 D HN 0.222 nan 8.370 nan 0.000 0.429 1559 Y N 0.325 120.641 120.300 0.026 0.000 2.477 1559 Y HA 0.365 4.916 4.550 0.003 0.000 0.347 1559 Y C -0.533 175.535 175.900 0.281 0.000 0.981 1559 Y CA -1.324 56.840 58.100 0.106 0.000 1.033 1559 Y CB 1.427 39.880 38.460 -0.011 0.000 1.245 1559 Y HN 0.196 nan 8.280 nan 0.000 0.455 1560 L N 5.085 126.631 121.223 0.538 0.000 2.281 1560 L HA 0.544 4.886 4.340 0.003 0.000 0.285 1560 L C -1.244 175.815 176.870 0.316 0.000 1.074 1560 L CA -0.086 55.088 54.840 0.557 0.000 0.817 1560 L CB -0.150 42.230 42.059 0.534 0.000 1.168 1560 L HN 0.428 nan 8.230 nan 0.000 0.434 1561 I N 5.949 126.696 120.570 0.294 0.000 2.499 1561 I HA 0.371 4.542 4.170 0.003 0.000 0.288 1561 I C -1.106 175.106 176.117 0.158 0.000 1.048 1561 I CA -0.353 61.015 61.300 0.114 0.000 1.062 1561 I CB 1.504 39.528 38.000 0.041 0.000 1.238 1561 I HN 0.864 nan 8.210 nan 0.000 0.426 1562 W N 6.152 127.415 121.300 -0.062 0.000 3.031 1562 W HA 0.897 5.559 4.660 0.003 0.000 0.337 1562 W C -0.540 175.656 176.519 -0.538 0.000 1.187 1562 W CA -1.165 55.888 57.345 -0.486 0.000 1.166 1562 W CB 1.087 30.334 29.460 -0.355 0.000 1.437 1562 W HN 0.695 nan 8.180 nan 0.000 0.551 1563 G N 0.121 108.514 108.800 -0.678 0.000 2.570 1563 G HA2 0.475 4.436 3.960 0.003 0.000 0.310 1563 G HA3 0.475 4.436 3.960 0.003 0.000 0.310 1563 G C -1.705 173.051 174.900 -0.241 0.000 1.266 1563 G CA -0.643 44.284 45.100 -0.288 0.000 0.825 1563 G HN 0.724 nan 8.290 nan 0.000 0.483 1564 S N -1.334 114.370 115.700 0.005 0.000 2.509 1564 S HA 0.474 4.945 4.470 0.003 0.000 0.297 1564 S C 0.970 175.669 174.600 0.164 0.000 1.118 1564 S CA -0.594 57.650 58.200 0.073 0.000 1.074 1564 S CB 1.391 64.631 63.200 0.067 0.000 1.038 1564 S HN 0.502 nan 8.310 nan 0.000 0.498 1565 R N 1.483 122.097 120.500 0.189 0.000 2.323 1565 R HA 0.026 4.368 4.340 0.003 0.000 0.198 1565 R C 1.570 177.980 176.300 0.183 0.000 0.988 1565 R CA 0.743 56.987 56.100 0.240 0.000 1.041 1565 R CB -0.118 30.317 30.300 0.225 0.000 0.926 1565 R HN 0.708 nan 8.270 nan 0.000 0.476 1566 S N -0.459 115.322 115.700 0.135 0.000 2.558 1566 S HA 0.004 4.475 4.470 0.003 0.000 0.217 1566 S C 0.859 175.528 174.600 0.115 0.000 0.975 1566 S CA 0.261 58.523 58.200 0.103 0.000 0.912 1566 S CB 0.301 63.541 63.200 0.067 0.000 0.776 1566 S HN 0.108 nan 8.310 nan 0.000 0.526 1567 D N 1.120 121.618 120.400 0.163 0.000 2.339 1567 D HA 0.233 4.875 4.640 0.003 0.000 0.217 1567 D C 0.263 176.710 176.300 0.246 0.000 1.050 1567 D CA -0.041 54.066 54.000 0.179 0.000 0.856 1567 D CB 0.100 41.006 40.800 0.177 0.000 0.922 1567 D HN 0.406 nan 8.370 nan 0.000 0.518 1568 L N 1.332 122.719 121.223 0.272 0.000 2.410 1568 L HA 0.131 4.472 4.340 0.003 0.000 0.273 1568 L C -0.655 176.233 176.870 0.030 0.000 1.152 1568 L CA -0.289 54.650 54.840 0.165 0.000 0.855 1568 L CB 0.721 42.851 42.059 0.119 0.000 1.129 1568 L HN -0.157 nan 8.230 nan 0.000 0.463 1569 L N 7.955 129.148 121.223 -0.049 0.000 2.353 1569 L HA 0.565 4.906 4.340 0.003 0.000 0.270 1569 L C -2.338 174.479 176.870 -0.088 0.000 1.003 1569 L CA -1.824 52.987 54.840 -0.049 0.000 0.862 1569 L CB 1.027 43.067 42.059 -0.032 0.000 1.221 1569 L HN 0.382 nan 8.230 nan 0.000 0.430 1570 P HA 0.304 nan 4.420 nan 0.000 0.265 1570 P C -0.732 176.524 177.300 -0.073 0.000 1.193 1570 P CA 0.219 63.272 63.100 -0.078 0.000 0.765 1570 P CB 0.770 32.440 31.700 -0.050 0.000 0.823 1571 T N 0.597 115.099 114.554 -0.086 0.000 2.831 1571 T HA 0.504 4.855 4.350 0.003 0.000 0.333 1571 T C -0.026 174.629 174.700 -0.076 0.000 1.684 1571 T CA 0.384 62.441 62.100 -0.072 0.000 1.049 1571 T CB 0.258 69.083 68.868 -0.072 0.000 1.518 1571 T HN 0.571 nan 8.240 nan 0.000 0.491 1572 K N 0.234 120.599 120.400 -0.058 0.000 2.334 1572 K HA -0.280 4.041 4.320 0.003 0.000 0.118 1572 K C 1.207 177.771 176.600 -0.060 0.000 1.375 1572 K CA 3.431 59.686 56.287 -0.053 0.000 0.671 1572 K CB -2.358 30.110 32.500 -0.053 0.000 0.495 1572 K HN 1.643 nan 8.250 nan 0.000 1.014 1573 D N -0.346 120.017 120.400 -0.061 0.000 2.305 1573 D HA 0.418 5.060 4.640 0.003 0.000 0.206 1573 D C 1.463 177.703 176.300 -0.100 0.000 0.974 1573 D CA 1.830 55.788 54.000 -0.069 0.000 0.871 1573 D CB -0.431 40.337 40.800 -0.055 0.000 0.947 1573 D HN 1.309 nan 8.370 nan 0.000 0.516 1574 K N 0.348 120.682 120.400 -0.110 0.000 2.382 1574 K HA 0.575 4.897 4.320 0.003 0.000 0.275 1574 K C 0.092 176.557 176.600 -0.225 0.000 1.009 1574 K CA -0.225 55.969 56.287 -0.154 0.000 0.970 1574 K CB -0.240 32.189 32.500 -0.119 0.000 0.934 1574 K HN 0.504 nan 8.250 nan 0.000 0.479 1575 I N 2.066 122.426 120.570 -0.351 0.000 2.342 1575 I HA 0.259 4.431 4.170 0.003 0.000 0.291 1575 I C -0.064 175.736 176.117 -0.529 0.000 1.010 1575 I CA -0.383 60.623 61.300 -0.490 0.000 1.308 1575 I CB 1.577 39.164 38.000 -0.688 0.000 1.400 1575 I HN 0.605 nan 8.210 nan 0.000 0.488 1576 S N 5.328 120.711 115.700 -0.528 0.000 2.557 1576 S HA 0.667 5.139 4.470 0.003 0.000 0.291 1576 S C -1.045 173.215 174.600 -0.566 0.000 1.116 1576 S CA -0.763 57.163 58.200 -0.457 0.000 0.992 1576 S CB 1.266 64.325 63.200 -0.236 0.000 1.028 1576 S HN 0.355 nan 8.310 nan 0.000 0.484 1577 Y N 1.096 121.211 120.300 -0.309 0.000 2.630 1577 Y HA 0.750 5.302 4.550 0.003 0.000 0.337 1577 Y C -0.004 175.814 175.900 -0.136 0.000 1.051 1577 Y CA -1.512 56.456 58.100 -0.221 0.000 1.121 1577 Y CB 0.932 39.240 38.460 -0.252 0.000 1.299 1577 Y HN 0.666 nan 8.280 nan 0.000 0.498 1578 I N -0.592 120.085 120.570 0.178 0.000 2.441 1578 I HA 0.552 4.724 4.170 0.003 0.000 0.295 1578 I C -0.978 175.264 176.117 0.207 0.000 0.994 1578 I CA -0.787 60.607 61.300 0.156 0.000 1.144 1578 I CB 1.244 39.301 38.000 0.095 0.000 1.314 1578 I HN 0.416 nan 8.210 nan 0.000 0.445 1579 I N 5.250 125.955 120.570 0.225 0.000 2.505 1579 I HA 0.207 4.379 4.170 0.003 0.000 0.287 1579 I C 0.638 176.819 176.117 0.107 0.000 1.104 1579 I CA 0.753 62.170 61.300 0.195 0.000 1.387 1579 I CB 0.456 38.562 38.000 0.176 0.000 1.404 1579 I HN 0.791 nan 8.210 nan 0.000 0.528 1580 T N 4.480 119.084 114.554 0.084 0.000 2.742 1580 T HA 0.217 4.568 4.350 0.003 0.000 0.282 1580 T C 0.866 175.577 174.700 0.018 0.000 1.025 1580 T CA -0.713 61.413 62.100 0.044 0.000 1.020 1580 T CB 1.747 70.644 68.868 0.049 0.000 1.317 1580 T HN 0.634 nan 8.240 nan 0.000 0.538 1581 K N 0.485 120.889 120.400 0.007 0.000 2.288 1581 K HA 0.016 4.337 4.320 0.003 0.000 0.201 1581 K C 1.206 177.825 176.600 0.032 0.000 1.048 1581 K CA 0.807 57.094 56.287 0.000 0.000 0.956 1581 K CB -0.033 32.464 32.500 -0.004 0.000 0.746 1581 K HN 0.336 nan 8.250 nan 0.000 0.461 1582 N N 0.780 119.508 118.700 0.047 0.000 2.571 1582 N HA -0.052 4.689 4.740 0.003 0.000 0.189 1582 N C -0.336 175.228 175.510 0.090 0.000 1.154 1582 N CA 0.667 53.766 53.050 0.082 0.000 0.907 1582 N CB 0.261 38.790 38.487 0.069 0.000 0.977 1582 N HN 0.058 nan 8.380 nan 0.000 0.449 1583 T N 0.789 115.364 114.554 0.035 0.000 2.767 1583 T HA 0.117 4.469 4.350 0.003 0.000 0.284 1583 T C -0.469 174.144 174.700 -0.145 0.000 0.973 1583 T CA -0.608 61.476 62.100 -0.027 0.000 0.996 1583 T CB 1.501 70.383 68.868 0.024 0.000 0.927 1583 T HN 0.131 nan 8.240 nan 0.000 0.456 1584 W N 5.746 126.682 121.300 -0.606 0.000 2.349 1584 W HA 0.622 5.283 4.660 0.003 0.000 0.309 1584 W C -1.694 174.416 176.519 -0.681 0.000 1.083 1584 W CA -1.227 55.600 57.345 -0.863 0.000 1.224 1584 W CB 0.638 28.916 29.460 -1.971 0.000 1.256 1584 W HN 0.441 nan 8.180 nan 0.000 0.461 1585 I N 5.703 125.812 120.570 -0.768 0.000 2.447 1585 I HA 0.355 4.526 4.170 0.003 0.000 0.287 1585 I C -1.204 174.642 176.117 -0.452 0.000 1.023 1585 I CA -0.417 60.600 61.300 -0.472 0.000 1.083 1585 I CB 1.703 39.460 38.000 -0.405 0.000 1.245 1585 I HN 0.506 nan 8.210 nan 0.000 0.434 1586 E N 6.480 126.621 120.200 -0.098 0.000 2.278 1586 E HA 0.365 4.716 4.350 0.003 0.000 0.272 1586 E C -1.031 175.712 176.600 0.238 0.000 0.890 1586 E CA -0.927 55.504 56.400 0.051 0.000 0.770 1586 E CB 1.735 31.548 29.700 0.188 0.000 1.212 1586 E HN 0.583 nan 8.360 nan 0.000 0.415 1587 R N 3.461 124.074 120.500 0.188 0.000 2.491 1587 R HA 0.090 4.432 4.340 0.003 0.000 0.283 1587 R C -1.021 175.221 176.300 -0.097 0.000 1.072 1587 R CA -0.190 55.929 56.100 0.032 0.000 1.048 1587 R CB 0.587 30.866 30.300 -0.034 0.000 0.983 1587 R HN 0.413 nan 8.270 nan 0.000 0.450 1588 W N 7.976 129.007 121.300 -0.447 0.000 2.329 1588 W HA 0.357 5.019 4.660 0.003 0.000 0.312 1588 W C -2.475 173.682 176.519 -0.603 0.000 1.054 1588 W CA -3.065 53.874 57.345 -0.676 0.000 1.245 1588 W CB 1.132 30.288 29.460 -0.507 0.000 1.255 1588 W HN 0.545 nan 8.180 nan 0.000 0.436 1589 P HA 0.011 nan 4.420 nan 0.000 0.271 1589 P C -0.456 176.739 177.300 -0.176 0.000 1.233 1589 P CA 0.525 63.540 63.100 -0.142 0.000 0.789 1589 P CB 0.903 32.562 31.700 -0.067 0.000 0.951 1590 H N -0.873 118.163 119.070 -0.058 0.000 2.509 1590 H HA 0.158 4.716 4.556 0.003 0.000 0.360 1590 H C 1.295 176.606 175.328 -0.029 0.000 1.398 1590 H CA -0.072 55.938 56.048 -0.063 0.000 1.429 1590 H CB 0.330 30.053 29.762 -0.064 0.000 1.611 1590 H HN 0.475 nan 8.280 nan 0.000 0.606 1591 E N 0.096 120.362 120.200 0.110 0.000 2.106 1591 E HA -0.185 4.167 4.350 0.003 0.000 0.192 1591 E C 0.991 177.625 176.600 0.055 0.000 0.984 1591 E CA 0.975 57.413 56.400 0.063 0.000 0.806 1591 E CB 0.148 29.871 29.700 0.039 0.000 0.750 1591 E HN 0.550 nan 8.360 nan 0.000 0.458 1592 D N 0.857 121.290 120.400 0.055 0.000 2.126 1592 D HA -0.221 4.421 4.640 0.003 0.000 0.190 1592 D C 1.774 178.096 176.300 0.036 0.000 1.001 1592 D CA 1.075 55.090 54.000 0.026 0.000 0.841 1592 D CB -0.194 40.599 40.800 -0.011 0.000 0.949 1592 D HN 0.228 nan 8.370 nan 0.000 0.446 1593 E N -0.104 120.133 120.200 0.062 0.000 2.204 1593 E HA -0.108 4.244 4.350 0.003 0.000 0.195 1593 E C 1.309 177.935 176.600 0.045 0.000 0.990 1593 E CA 0.286 56.719 56.400 0.055 0.000 0.821 1593 E CB -0.138 29.604 29.700 0.071 0.000 0.750 1593 E HN 0.242 nan 8.360 nan 0.000 0.477 1594 c N 1.905 120.535 118.600 0.049 0.000 2.327 1594 c HA 0.098 4.670 4.570 0.003 0.000 0.401 1594 c C 1.415 175.529 174.090 0.040 0.000 1.297 1594 c CA -0.116 56.242 56.329 0.048 0.000 1.628 1594 c CB -1.139 41.408 42.510 0.061 0.000 1.787 1594 c HN 0.289 nan 8.230 nan 0.000 0.590 1595 Q N -0.331 119.489 119.800 0.033 0.000 2.210 1595 Q HA 0.128 4.470 4.340 0.003 0.000 0.252 1595 Q C 0.418 176.433 176.000 0.025 0.000 0.811 1595 Q CA 0.080 55.900 55.803 0.027 0.000 0.953 1595 Q CB 0.538 29.289 28.738 0.022 0.000 1.136 1595 Q HN 0.702 nan 8.270 nan 0.000 0.491 1596 E N 2.159 122.375 120.200 0.027 0.000 2.331 1596 E HA 0.019 4.371 4.350 0.003 0.000 0.272 1596 E C 0.845 177.462 176.600 0.028 0.000 1.036 1596 E CA 0.019 56.435 56.400 0.025 0.000 0.864 1596 E CB 0.785 30.501 29.700 0.027 0.000 1.035 1596 E HN -0.081 nan 8.360 nan 0.000 0.408 1597 E N 2.971 123.185 120.200 0.024 0.000 2.233 1597 E HA -0.268 4.084 4.350 0.003 0.000 0.199 1597 E C 0.925 177.543 176.600 0.030 0.000 1.004 1597 E CA 1.388 57.803 56.400 0.025 0.000 0.819 1597 E CB 0.253 29.965 29.700 0.021 0.000 0.738 1597 E HN 0.652 nan 8.360 nan 0.000 0.478 1598 E N -1.489 118.732 120.200 0.034 0.000 2.140 1598 E HA -0.087 4.264 4.350 0.003 0.000 0.191 1598 E C 2.029 178.659 176.600 0.049 0.000 0.973 1598 E CA 0.872 57.298 56.400 0.044 0.000 0.829 1598 E CB 0.024 29.754 29.700 0.050 0.000 0.781 1598 E HN 0.353 nan 8.360 nan 0.000 0.466 1599 F N 1.003 120.980 119.950 0.045 0.000 2.569 1599 F HA 0.081 4.610 4.527 0.003 0.000 0.295 1599 F C 2.199 178.025 175.800 0.044 0.000 1.115 1599 F CA 0.478 58.503 58.000 0.042 0.000 1.450 1599 F CB -0.362 38.660 39.000 0.037 0.000 1.107 1599 F HN -0.046 nan 8.300 nan 0.000 0.563 1600 Q N 0.161 119.986 119.800 0.043 0.000 2.079 1600 Q HA -0.197 4.144 4.340 0.003 0.000 0.200 1600 Q C 2.315 178.345 176.000 0.051 0.000 0.974 1600 Q CA 1.620 57.450 55.803 0.045 0.000 0.840 1600 Q CB -0.355 28.405 28.738 0.037 0.000 0.898 1600 Q HN 0.728 nan 8.270 nan 0.000 0.430 1601 K N 0.172 120.598 120.400 0.044 0.000 2.283 1601 K HA -0.115 4.207 4.320 0.003 0.000 0.202 1601 K C 1.931 178.562 176.600 0.051 0.000 1.048 1601 K CA 0.415 56.727 56.287 0.041 0.000 0.948 1601 K CB 0.180 32.698 32.500 0.029 0.000 0.742 1601 K HN 0.070 nan 8.250 nan 0.000 0.458 1602 L N -0.001 121.263 121.223 0.068 0.000 2.127 1602 L HA -0.105 4.237 4.340 0.003 0.000 0.203 1602 L C 2.349 179.347 176.870 0.213 0.000 1.080 1602 L CA 0.886 55.795 54.840 0.114 0.000 0.768 1602 L CB -0.464 41.662 42.059 0.112 0.000 0.924 1602 L HN 0.163 nan 8.230 nan 0.000 0.444 1603 c N -0.210 118.478 118.600 0.147 0.000 2.411 1603 c HA -0.180 4.392 4.570 0.003 0.000 0.279 1603 c C 2.389 176.598 174.090 0.198 0.000 1.288 1603 c CA 0.618 57.045 56.329 0.164 0.000 1.764 1603 c CB -0.846 41.732 42.510 0.113 0.000 1.974 1603 c HN 0.544 nan 8.230 nan 0.000 0.498 1604 D N 0.793 121.275 120.400 0.136 0.000 2.097 1604 D HA -0.095 4.546 4.640 0.003 0.000 0.197 1604 D C 1.763 178.131 176.300 0.114 0.000 0.984 1604 D CA 1.243 55.310 54.000 0.112 0.000 0.826 1604 D CB -0.638 40.204 40.800 0.069 0.000 0.973 1604 D HN 0.401 nan 8.370 nan 0.000 0.460 1605 D N -0.284 120.163 120.400 0.078 0.000 2.133 1605 D HA -0.161 4.481 4.640 0.003 0.000 0.195 1605 D C 1.946 178.218 176.300 -0.046 0.000 0.997 1605 D CA 0.700 54.695 54.000 -0.009 0.000 0.840 1605 D CB -0.385 40.359 40.800 -0.093 0.000 0.947 1605 D HN 0.221 nan 8.370 nan 0.000 0.452 1606 F N 0.777 120.668 119.950 -0.098 0.000 2.259 1606 F HA -0.023 4.506 4.527 0.003 0.000 0.298 1606 F C 2.402 178.268 175.800 0.109 0.000 1.088 1606 F CA 0.887 58.770 58.000 -0.195 0.000 1.358 1606 F CB -0.209 38.445 39.000 -0.577 0.000 1.040 1606 F HN -0.084 nan 8.300 nan 0.000 0.505 1607 A N -0.503 122.520 122.820 0.339 0.000 1.897 1607 A HA -0.182 4.140 4.320 0.003 0.000 0.215 1607 A C 2.077 179.816 177.584 0.259 0.000 1.181 1607 A CA 1.342 53.566 52.037 0.311 0.000 0.620 1607 A CB -0.650 18.482 19.000 0.220 0.000 0.821 1607 A HN 0.395 nan 8.150 nan 0.000 0.443 1608 Q N -1.654 118.268 119.800 0.204 0.000 2.046 1608 Q HA -0.130 4.212 4.340 0.003 0.000 0.200 1608 Q C 1.893 178.029 176.000 0.226 0.000 0.975 1608 Q CA 1.642 57.568 55.803 0.205 0.000 0.836 1608 Q CB -0.330 28.492 28.738 0.139 0.000 0.896 1608 Q HN 0.732 nan 8.270 nan 0.000 0.428 1609 F N 1.215 121.185 119.950 0.034 0.000 2.069 1609 F HA -0.256 4.272 4.527 0.003 0.000 0.298 1609 F C 2.203 178.035 175.800 0.052 0.000 1.113 1609 F CA 1.801 59.786 58.000 -0.024 0.000 1.214 1609 F CB -0.467 38.427 39.000 -0.175 0.000 0.978 1609 F HN -0.092 nan 8.300 nan 0.000 0.474 1610 S N -0.151 115.596 115.700 0.078 0.000 2.359 1610 S HA -0.294 4.178 4.470 0.003 0.000 0.223 1610 S C 1.754 176.339 174.600 -0.025 0.000 1.039 1610 S CA 1.643 59.876 58.200 0.054 0.000 1.042 1610 S CB -1.192 62.246 63.200 0.396 0.000 0.915 1610 S HN 0.662 nan 8.310 nan 0.000 0.439 1611 Y N 3.057 123.348 120.300 -0.014 0.000 2.070 1611 Y HA -0.266 4.285 4.550 0.003 0.000 0.280 1611 Y C 2.819 178.651 175.900 -0.114 0.000 1.148 1611 Y CA 2.213 60.287 58.100 -0.043 0.000 1.125 1611 Y CB -1.268 37.194 38.460 0.002 0.000 0.975 1611 Y HN 0.397 nan 8.280 nan 0.000 0.492 1612 T N -1.024 113.367 114.554 -0.272 0.000 2.915 1612 T HA -0.173 4.179 4.350 0.003 0.000 0.269 1612 T C 1.980 176.530 174.700 -0.249 0.000 1.071 1612 T CA 1.349 63.281 62.100 -0.280 0.000 1.132 1612 T CB -0.767 68.141 68.868 0.067 0.000 0.878 1612 T HN 0.473 nan 8.240 nan 0.000 0.479 1613 L N 0.935 121.955 121.223 -0.339 0.000 2.068 1613 L HA -0.009 4.333 4.340 0.003 0.000 0.204 1613 L C 2.715 179.419 176.870 -0.277 0.000 1.076 1613 L CA 1.370 56.006 54.840 -0.340 0.000 0.753 1613 L CB -0.625 41.092 42.059 -0.569 0.000 0.910 1613 L HN 0.213 nan 8.230 nan 0.000 0.439 1614 T N -1.111 113.273 114.554 -0.283 0.000 2.833 1614 T HA -0.224 4.128 4.350 0.003 0.000 0.269 1614 T C 1.623 176.137 174.700 -0.311 0.000 1.054 1614 T CA 1.623 63.591 62.100 -0.221 0.000 1.135 1614 T CB -0.113 68.668 68.868 -0.146 0.000 0.869 1614 T HN 0.286 nan 8.240 nan 0.000 0.466 1615 E N -0.395 119.477 120.200 -0.547 0.000 2.230 1615 E HA 0.162 4.513 4.350 0.003 0.000 0.192 1615 E C 1.109 177.247 176.600 -0.771 0.000 0.987 1615 E CA 0.625 56.548 56.400 -0.794 0.000 0.841 1615 E CB 0.064 28.958 29.700 -1.344 0.000 0.783 1615 E HN 0.627 nan 8.360 nan 0.000 0.481 1616 F N -1.562 118.255 119.950 -0.221 0.000 2.778 1616 F HA 0.367 4.896 4.527 0.003 0.000 0.314 1616 F C 1.221 176.943 175.800 -0.131 0.000 1.073 1616 F CA -0.056 57.848 58.000 -0.159 0.000 1.218 1616 F CB 1.009 39.915 39.000 -0.156 0.000 1.037 1616 F HN 0.131 nan 8.300 nan 0.000 0.594 1617 G N 0.659 109.458 108.800 -0.001 0.000 2.584 1617 G HA2 -0.241 3.721 3.960 0.003 0.000 0.229 1617 G HA3 -0.241 3.721 3.960 0.003 0.000 0.229 1617 G C -0.365 174.509 174.900 -0.043 0.000 1.320 1617 G CA -0.779 44.300 45.100 -0.036 0.000 0.891 1617 G HN 0.284 nan 8.290 nan 0.000 0.573 1618 c N 0.000 118.564 118.600 -0.059 0.000 2.653 1618 c HA 0.000 4.572 4.570 0.003 0.000 0.325 1618 c CA 0.000 56.284 56.329 -0.075 0.000 1.963 1618 c CB 0.000 42.455 42.510 -0.092 0.000 2.134 1618 c HN 0.000 nan 8.230 nan 0.000 0.568