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 3hrz_1_C DATA FIRST_RESID 1250 DATA SEQUENCE DLNLDITIEL PDREVPIRYR INYENALLAR TVETKLNQDI TVTASGDGKA DATA SEQUENCE TMTILTFYNA QLXXXXXVcN KFHLNVSVEN IHLNXXXXKG ALMLKIcTRY DATA SEQUENCE LGEVDSTMTI IDISMLTGFL PDAEDLTRLS KGVDRYISRY EVDNNMAQKV DATA SEQUENCE AVIIYLNKVS HSEDEcLHFK ILKHFEVGFI QPGSVKVYSY YNLDEKcTKF DATA SEQUENCE YHPDKGTGLL NKIcIGNVcR CAGETcSSLN HQERIDVPLQ IEKAcETNVD DATA SEQUENCE YVYKTKLLRI EEQDGNDIYV MDVLEVIKQG TDENPRAKTH QYISQRKcQE DATA SEQUENCE ALNLKVNDDY LIWGSRSDLL PTKDKISYII TKNTWIERWP HEDEcQEEEF DATA SEQUENCE QKLcDDFAQF SYTLTEFGcP T VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1250 D HA 0.000 nan 4.640 nan 0.000 0.175 1250 D C 0.000 176.328 176.300 0.046 0.000 2.045 1250 D CA 0.000 54.016 54.000 0.026 0.000 0.868 1250 D CB 0.000 40.813 40.800 0.021 0.000 0.688 1251 L N 1.739 123.005 121.223 0.073 0.000 2.280 1251 L HA 0.725 5.051 4.340 -0.025 0.000 0.287 1251 L C -1.248 175.660 176.870 0.063 0.000 1.023 1251 L CA -0.169 54.712 54.840 0.068 0.000 0.819 1251 L CB 0.617 42.726 42.059 0.083 0.000 1.212 1251 L HN 0.256 nan 8.230 nan 0.000 0.420 1252 N N 5.032 123.760 118.700 0.047 0.000 2.701 1252 N HA 0.393 5.118 4.740 -0.025 0.000 0.258 1252 N C -2.003 173.531 175.510 0.039 0.000 1.262 1252 N CA -0.197 52.880 53.050 0.044 0.000 0.780 1252 N CB 0.826 39.335 38.487 0.037 0.000 1.380 1252 N HN 0.644 nan 8.380 nan 0.000 0.548 1253 L N 1.369 122.619 121.223 0.044 0.000 2.333 1253 L HA 0.521 4.847 4.340 -0.025 0.000 0.280 1253 L C -0.578 176.326 176.870 0.056 0.000 1.004 1253 L CA -0.717 54.150 54.840 0.046 0.000 0.820 1253 L CB 1.661 43.749 42.059 0.048 0.000 1.247 1253 L HN 0.306 nan 8.230 nan 0.000 0.416 1254 D N 5.054 125.482 120.400 0.046 0.000 2.280 1254 D HA 0.380 5.005 4.640 -0.025 0.000 0.236 1254 D C -0.404 175.923 176.300 0.045 0.000 1.082 1254 D CA -0.328 53.700 54.000 0.046 0.000 0.834 1254 D CB 2.474 43.290 40.800 0.028 0.000 1.100 1254 D HN 0.139 nan 8.370 nan 0.000 0.486 1255 I N 1.986 122.592 120.570 0.061 0.000 2.378 1255 I HA 0.230 4.385 4.170 -0.025 0.000 0.291 1255 I C 0.465 176.553 176.117 -0.048 0.000 0.992 1255 I CA -0.394 60.932 61.300 0.044 0.000 1.154 1255 I CB 1.476 39.568 38.000 0.154 0.000 1.315 1255 I HN 0.065 nan 8.210 nan 0.000 0.448 1256 T N 6.677 121.200 114.554 -0.052 0.000 2.812 1256 T HA 0.611 4.946 4.350 -0.025 0.000 0.282 1256 T C -0.036 174.613 174.700 -0.084 0.000 0.990 1256 T CA -0.400 61.645 62.100 -0.091 0.000 0.960 1256 T CB 1.692 70.526 68.868 -0.057 0.000 0.948 1256 T HN 0.201 nan 8.240 nan 0.000 0.438 1257 I N 3.167 123.662 120.570 -0.124 0.000 2.355 1257 I HA 0.372 4.527 4.170 -0.025 0.000 0.288 1257 I C 0.156 176.233 176.117 -0.067 0.000 0.999 1257 I CA -0.685 60.565 61.300 -0.082 0.000 1.163 1257 I CB 1.476 39.420 38.000 -0.094 0.000 1.316 1257 I HN 0.652 nan 8.210 nan 0.000 0.454 1258 E N 6.973 127.148 120.200 -0.041 0.000 2.113 1258 E HA 0.573 4.908 4.350 -0.025 0.000 0.273 1258 E C -0.973 175.615 176.600 -0.021 0.000 0.924 1258 E CA -0.538 55.843 56.400 -0.032 0.000 0.764 1258 E CB 2.081 31.765 29.700 -0.025 0.000 1.104 1258 E HN 0.444 nan 8.360 nan 0.000 0.406 1259 L N 4.184 125.396 121.223 -0.019 0.000 2.331 1259 L HA 0.360 4.685 4.340 -0.025 0.000 0.275 1259 L C -1.718 175.147 176.870 -0.009 0.000 1.022 1259 L CA -2.074 52.760 54.840 -0.010 0.000 0.812 1259 L CB 1.249 43.305 42.059 -0.005 0.000 1.257 1259 L HN 0.328 nan 8.230 nan 0.000 0.435 1260 P HA -0.121 nan 4.420 nan 0.000 0.221 1260 P C 0.583 177.881 177.300 -0.004 0.000 1.150 1260 P CA 0.758 63.855 63.100 -0.005 0.000 0.800 1260 P CB 0.025 31.722 31.700 -0.005 0.000 0.787 1261 D N 0.160 120.560 120.400 -0.001 0.000 2.378 1261 D HA -0.092 4.534 4.640 -0.025 0.000 0.227 1261 D C 0.510 176.810 176.300 -0.000 0.000 1.012 1261 D CA 0.244 54.244 54.000 0.001 0.000 0.905 1261 D CB -0.336 40.468 40.800 0.005 0.000 0.895 1261 D HN 0.281 nan 8.370 nan 0.000 0.532 1262 R N -1.334 119.163 120.500 -0.004 0.000 2.633 1262 R HA 0.236 4.561 4.340 -0.025 0.000 0.255 1262 R C -0.240 176.054 176.300 -0.009 0.000 1.106 1262 R CA -0.735 55.362 56.100 -0.006 0.000 0.959 1262 R CB 0.557 30.853 30.300 -0.005 0.000 1.259 1262 R HN -0.236 nan 8.270 nan 0.000 0.453 1263 E N 1.011 121.206 120.200 -0.009 0.000 2.077 1263 E HA -0.046 4.289 4.350 -0.025 0.000 0.193 1263 E C 0.256 176.847 176.600 -0.015 0.000 0.989 1263 E CA 1.345 57.739 56.400 -0.010 0.000 0.800 1263 E CB 0.190 29.885 29.700 -0.008 0.000 0.746 1263 E HN 0.299 nan 8.360 nan 0.000 0.452 1264 V N 4.786 124.691 119.914 -0.016 0.000 2.405 1264 V HA 0.076 4.181 4.120 -0.025 0.000 0.264 1264 V C -1.818 174.256 176.094 -0.032 0.000 1.048 1264 V CA -1.185 61.102 62.300 -0.022 0.000 0.966 1264 V CB 0.472 32.284 31.823 -0.018 0.000 1.015 1264 V HN 0.133 nan 8.190 nan 0.000 0.477 1265 P HA 0.220 nan 4.420 nan 0.000 0.270 1265 P C -0.481 176.767 177.300 -0.086 0.000 1.223 1265 P CA -0.164 62.900 63.100 -0.060 0.000 0.785 1265 P CB 1.093 32.759 31.700 -0.057 0.000 0.923 1266 I N 1.900 122.390 120.570 -0.133 0.000 2.385 1266 I HA 0.320 4.476 4.170 -0.025 0.000 0.294 1266 I C 1.004 176.928 176.117 -0.322 0.000 0.988 1266 I CA -0.403 60.766 61.300 -0.219 0.000 1.265 1266 I CB 0.848 38.687 38.000 -0.269 0.000 1.388 1266 I HN 0.139 nan 8.210 nan 0.000 0.480 1267 R N 5.456 125.767 120.500 -0.315 0.000 2.513 1267 R HA 0.561 4.886 4.340 -0.025 0.000 0.301 1267 R C -1.713 174.448 176.300 -0.232 0.000 0.968 1267 R CA -0.848 55.091 56.100 -0.268 0.000 0.872 1267 R CB 1.855 32.091 30.300 -0.106 0.000 1.177 1267 R HN 0.362 nan 8.270 nan 0.000 0.444 1268 Y N 0.824 121.129 120.300 0.007 0.000 2.468 1268 Y HA 0.471 5.006 4.550 -0.025 0.000 0.342 1268 Y C 0.231 176.136 175.900 0.008 0.000 1.021 1268 Y CA -1.301 56.803 58.100 0.007 0.000 1.079 1268 Y CB 1.485 39.949 38.460 0.007 0.000 1.226 1268 Y HN 0.335 nan 8.280 nan 0.000 0.460 1269 R N 2.793 123.403 120.500 0.182 0.000 2.393 1269 R HA 0.720 5.045 4.340 -0.025 0.000 0.310 1269 R C -1.613 174.738 176.300 0.085 0.000 0.968 1269 R CA -0.401 55.765 56.100 0.110 0.000 0.867 1269 R CB 0.665 31.008 30.300 0.072 0.000 1.124 1269 R HN 0.801 nan 8.270 nan 0.000 0.450 1270 I N 4.996 125.606 120.570 0.067 0.000 2.382 1270 I HA 0.320 4.475 4.170 -0.025 0.000 0.286 1270 I C -0.790 175.350 176.117 0.038 0.000 1.002 1270 I CA -0.929 60.391 61.300 0.034 0.000 1.135 1270 I CB 1.599 39.613 38.000 0.024 0.000 1.288 1270 I HN 0.773 nan 8.210 nan 0.000 0.448 1271 N N 4.017 122.739 118.700 0.036 0.000 3.038 1271 N HA 0.202 4.927 4.740 -0.025 0.000 0.307 1271 N C 0.522 176.079 175.510 0.078 0.000 1.441 1271 N CA -0.898 52.192 53.050 0.068 0.000 0.772 1271 N CB 0.438 38.973 38.487 0.079 0.000 1.651 1271 N HN 0.461 nan 8.380 nan 0.000 0.593 1272 Y N -0.073 120.229 120.300 0.003 0.000 2.151 1272 Y HA -0.214 4.337 4.550 0.002 0.000 0.284 1272 Y C 1.483 177.382 175.900 -0.002 0.000 1.166 1272 Y CA 2.130 60.230 58.100 0.000 0.000 1.163 1272 Y CB -0.028 38.433 38.460 0.002 0.000 0.974 1272 Y HN 0.663 nan 8.280 nan 0.000 0.511 1273 E N 0.236 120.493 120.200 0.095 0.000 2.150 1273 E HA -0.159 4.176 4.350 -0.025 0.000 0.193 1273 E C 1.203 177.753 176.600 -0.083 0.000 0.985 1273 E CA 1.420 57.826 56.400 0.010 0.000 0.814 1273 E CB -0.252 29.509 29.700 0.101 0.000 0.752 1273 E HN 0.758 nan 8.360 nan 0.000 0.466 1274 N N -1.106 117.555 118.700 -0.065 0.000 2.235 1274 N HA 0.231 4.956 4.740 -0.025 0.000 0.231 1274 N C 0.893 176.347 175.510 -0.094 0.000 1.177 1274 N CA 0.521 53.527 53.050 -0.073 0.000 0.874 1274 N CB 0.179 38.640 38.487 -0.043 0.000 1.097 1274 N HN 0.051 nan 8.380 nan 0.000 0.518 1275 A N 0.938 123.686 122.820 -0.121 0.000 1.940 1275 A HA -0.007 4.299 4.320 -0.025 0.000 0.219 1275 A C 2.023 179.546 177.584 -0.102 0.000 1.176 1275 A CA 0.902 52.876 52.037 -0.105 0.000 0.631 1275 A CB -0.671 18.255 19.000 -0.123 0.000 0.814 1275 A HN 0.335 nan 8.150 nan 0.000 0.446 1276 L N -1.103 120.049 121.223 -0.119 0.000 2.201 1276 L HA -0.023 4.302 4.340 -0.025 0.000 0.212 1276 L C 0.849 177.671 176.870 -0.080 0.000 1.105 1276 L CA 0.045 54.829 54.840 -0.094 0.000 0.775 1276 L CB -0.401 41.599 42.059 -0.097 0.000 0.913 1276 L HN 0.399 nan 8.230 nan 0.000 0.440 1277 L N 1.257 122.428 121.223 -0.087 0.000 2.369 1277 L HA 0.289 4.614 4.340 -0.025 0.000 0.279 1277 L C 0.498 177.305 176.870 -0.106 0.000 1.108 1277 L CA -0.042 54.746 54.840 -0.087 0.000 0.852 1277 L CB 0.603 42.609 42.059 -0.089 0.000 1.169 1277 L HN -0.054 nan 8.230 nan 0.000 0.452 1278 A N 6.561 129.328 122.820 -0.089 0.000 2.440 1278 A HA 0.571 4.877 4.320 -0.025 0.000 0.251 1278 A C -0.147 177.355 177.584 -0.136 0.000 1.089 1278 A CA -0.516 51.464 52.037 -0.096 0.000 0.779 1278 A CB 0.083 19.051 19.000 -0.054 0.000 1.022 1278 A HN 0.690 nan 8.150 nan 0.000 0.492 1279 R N 2.127 122.501 120.500 -0.209 0.000 2.445 1279 R HA 0.582 4.907 4.340 -0.025 0.000 0.308 1279 R C -0.965 175.265 176.300 -0.116 0.000 0.961 1279 R CA -0.295 55.626 56.100 -0.298 0.000 0.862 1279 R CB 1.114 30.891 30.300 -0.872 0.000 1.144 1279 R HN 0.647 nan 8.270 nan 0.000 0.447 1280 T N 1.327 115.871 114.554 -0.017 0.000 2.863 1280 T HA 0.529 4.864 4.350 -0.025 0.000 0.285 1280 T C -0.306 174.467 174.700 0.121 0.000 1.009 1280 T CA -0.570 61.566 62.100 0.060 0.000 0.989 1280 T CB 2.158 71.053 68.868 0.045 0.000 1.004 1280 T HN 0.177 nan 8.240 nan 0.000 0.455 1281 V N 2.585 122.578 119.914 0.131 0.000 2.735 1281 V HA 0.556 4.662 4.120 -0.025 0.000 0.310 1281 V C -0.634 175.512 176.094 0.086 0.000 1.061 1281 V CA -0.912 61.457 62.300 0.115 0.000 0.913 1281 V CB 2.190 34.081 31.823 0.114 0.000 1.005 1281 V HN 0.895 nan 8.190 nan 0.000 0.428 1282 E N 1.035 121.277 120.200 0.070 0.000 2.248 1282 E HA 0.666 5.002 4.350 -0.025 0.000 0.267 1282 E C -0.989 175.642 176.600 0.053 0.000 0.877 1282 E CA -0.548 55.892 56.400 0.067 0.000 0.759 1282 E CB 2.497 32.233 29.700 0.061 0.000 1.182 1282 E HN 0.626 nan 8.360 nan 0.000 0.418 1283 T N 0.893 115.481 114.554 0.056 0.000 2.912 1283 T HA 0.262 4.597 4.350 -0.025 0.000 0.299 1283 T C -0.168 174.562 174.700 0.050 0.000 1.052 1283 T CA -0.684 61.442 62.100 0.043 0.000 0.996 1283 T CB 0.971 69.859 68.868 0.032 0.000 1.070 1283 T HN 0.383 nan 8.240 nan 0.000 0.465 1284 K N 3.071 123.495 120.400 0.040 0.000 2.476 1284 K HA 0.312 4.617 4.320 -0.025 0.000 0.196 1284 K C 0.161 176.784 176.600 0.038 0.000 1.025 1284 K CA 0.105 56.418 56.287 0.044 0.000 1.138 1284 K CB 0.059 32.580 32.500 0.034 0.000 0.860 1284 K HN 0.444 nan 8.250 nan 0.000 0.515 1285 L N -0.034 121.208 121.223 0.031 0.000 2.331 1285 L HA 0.304 4.629 4.340 -0.025 0.000 0.268 1285 L C -0.068 176.812 176.870 0.017 0.000 1.015 1285 L CA -1.108 53.744 54.840 0.020 0.000 0.807 1285 L CB 0.968 43.034 42.059 0.012 0.000 1.293 1285 L HN -0.121 nan 8.230 nan 0.000 0.451 1286 N N 0.967 119.669 118.700 0.002 0.000 2.776 1286 N HA 0.336 5.061 4.740 -0.025 0.000 0.245 1286 N C -1.345 174.154 175.510 -0.017 0.000 1.121 1286 N CA -0.268 52.775 53.050 -0.013 0.000 0.852 1286 N CB 0.625 39.091 38.487 -0.035 0.000 1.142 1286 N HN 0.580 nan 8.380 nan 0.000 0.514 1287 Q N 0.200 119.993 119.800 -0.012 0.000 2.683 1287 Q HA 0.400 4.726 4.340 -0.025 0.000 0.302 1287 Q C -1.205 174.788 176.000 -0.013 0.000 1.042 1287 Q CA -1.040 54.756 55.803 -0.012 0.000 0.773 1287 Q CB 1.233 29.967 28.738 -0.007 0.000 1.508 1287 Q HN 0.372 nan 8.270 nan 0.000 0.459 1288 D N 0.902 121.294 120.400 -0.012 0.000 2.443 1288 D HA 0.194 4.819 4.640 -0.025 0.000 0.239 1288 D C -0.715 175.579 176.300 -0.009 0.000 1.136 1288 D CA 0.727 54.720 54.000 -0.012 0.000 0.879 1288 D CB 0.433 41.226 40.800 -0.011 0.000 1.195 1288 D HN 0.241 nan 8.370 nan 0.000 0.443 1289 I N 1.371 121.937 120.570 -0.008 0.000 2.436 1289 I HA 0.171 4.326 4.170 -0.025 0.000 0.289 1289 I C -0.033 176.080 176.117 -0.006 0.000 1.010 1289 I CA -0.551 60.745 61.300 -0.005 0.000 1.098 1289 I CB 1.945 39.945 38.000 -0.001 0.000 1.266 1289 I HN 0.023 nan 8.210 nan 0.000 0.434 1290 T N 5.783 120.332 114.554 -0.009 0.000 2.758 1290 T HA 0.506 4.841 4.350 -0.025 0.000 0.285 1290 T C -0.233 174.460 174.700 -0.011 0.000 0.981 1290 T CA -0.408 61.687 62.100 -0.009 0.000 0.965 1290 T CB 1.408 70.269 68.868 -0.011 0.000 0.927 1290 T HN 0.181 nan 8.240 nan 0.000 0.448 1291 V N 3.807 123.718 119.914 -0.006 0.000 2.555 1291 V HA 0.607 4.712 4.120 -0.025 0.000 0.302 1291 V C 0.122 176.214 176.094 -0.002 0.000 1.038 1291 V CA -0.742 61.556 62.300 -0.004 0.000 0.887 1291 V CB 2.158 33.986 31.823 0.009 0.000 0.991 1291 V HN 0.918 nan 8.190 nan 0.000 0.434 1292 T N 3.475 118.026 114.554 -0.005 0.000 2.841 1292 T HA 0.788 5.123 4.350 -0.025 0.000 0.283 1292 T C -0.374 174.331 174.700 0.007 0.000 1.000 1292 T CA -0.413 61.687 62.100 -0.001 0.000 0.977 1292 T CB 1.756 70.619 68.868 -0.007 0.000 0.979 1292 T HN 0.976 nan 8.240 nan 0.000 0.446 1293 A N 2.231 125.059 122.820 0.013 0.000 2.359 1293 A HA 0.802 5.107 4.320 -0.025 0.000 0.303 1293 A C -0.399 177.196 177.584 0.017 0.000 1.066 1293 A CA -0.715 51.334 52.037 0.021 0.000 0.730 1293 A CB 1.240 20.256 19.000 0.027 0.000 1.211 1293 A HN 0.684 nan 8.150 nan 0.000 0.439 1294 S N 0.514 116.225 115.700 0.019 0.000 2.526 1294 S HA 0.955 5.410 4.470 -0.025 0.000 0.293 1294 S C 0.373 174.985 174.600 0.020 0.000 1.092 1294 S CA 0.102 58.312 58.200 0.016 0.000 0.980 1294 S CB 1.741 64.948 63.200 0.013 0.000 1.048 1294 S HN 2.398 nan 8.310 nan 0.000 0.483 1295 G N 2.090 110.901 108.800 0.018 0.000 2.295 1295 G HA2 -0.058 3.887 3.960 -0.025 0.000 0.195 1295 G HA3 -0.058 3.887 3.960 -0.025 0.000 0.195 1295 G C -0.683 174.229 174.900 0.020 0.000 1.269 1295 G CA -0.096 45.016 45.100 0.020 0.000 1.170 1295 G HN 0.542 nan 8.290 nan 0.000 0.511 1296 D N 0.427 120.840 120.400 0.023 0.000 2.369 1296 D HA 0.244 4.869 4.640 -0.025 0.000 0.231 1296 D C 1.871 178.185 176.300 0.024 0.000 0.967 1296 D CA 1.350 55.363 54.000 0.022 0.000 0.905 1296 D CB -0.532 40.282 40.800 0.023 0.000 1.044 1296 D HN 0.684 nan 8.370 nan 0.000 0.487 1297 G N 0.362 109.179 108.800 0.029 0.000 2.570 1297 G HA2 0.318 4.264 3.960 -0.025 0.000 0.276 1297 G HA3 0.318 4.264 3.960 -0.025 0.000 0.276 1297 G C -0.014 174.901 174.900 0.025 0.000 1.346 1297 G CA -0.240 44.878 45.100 0.030 0.000 1.034 1297 G HN -0.045 nan 8.290 nan 0.000 0.512 1298 K N -0.987 119.427 120.400 0.023 0.000 2.385 1298 K HA 0.675 4.980 4.320 -0.025 0.000 0.248 1298 K C -0.700 175.910 176.600 0.017 0.000 0.955 1298 K CA -0.591 55.707 56.287 0.019 0.000 0.816 1298 K CB 2.504 35.014 32.500 0.016 0.000 1.250 1298 K HN 0.673 nan 8.250 nan 0.000 0.434 1299 A N 0.851 123.681 122.820 0.016 0.000 2.594 1299 A HA 0.653 4.958 4.320 -0.025 0.000 0.291 1299 A C -1.170 176.422 177.584 0.013 0.000 1.105 1299 A CA -0.631 51.414 52.037 0.013 0.000 0.694 1299 A CB 1.902 20.914 19.000 0.019 0.000 1.291 1299 A HN 0.486 nan 8.150 nan 0.000 0.410 1300 T N 1.934 116.493 114.554 0.008 0.000 2.779 1300 T HA 0.543 4.878 4.350 -0.025 0.000 0.280 1300 T C -0.294 174.414 174.700 0.013 0.000 0.987 1300 T CA -0.068 62.037 62.100 0.008 0.000 0.966 1300 T CB 0.728 69.598 68.868 0.003 0.000 0.933 1300 T HN 0.625 nan 8.240 nan 0.000 0.442 1301 M N 3.389 122.999 119.600 0.017 0.000 2.205 1301 M HA 0.440 4.905 4.480 -0.025 0.000 0.344 1301 M C -0.992 175.317 176.300 0.015 0.000 1.085 1301 M CA -0.273 55.041 55.300 0.024 0.000 1.001 1301 M CB 0.871 33.490 32.600 0.032 0.000 1.626 1301 M HN 0.442 nan 8.290 nan 0.000 0.442 1302 T N 6.216 120.780 114.554 0.016 0.000 2.770 1302 T HA 0.553 4.888 4.350 -0.025 0.000 0.283 1302 T C -0.575 174.130 174.700 0.008 0.000 0.988 1302 T CA -0.417 61.687 62.100 0.007 0.000 0.957 1302 T CB 0.567 69.439 68.868 0.007 0.000 0.930 1302 T HN 0.525 nan 8.240 nan 0.000 0.443 1303 I N 4.002 124.568 120.570 -0.007 0.000 2.312 1303 I HA 0.338 4.493 4.170 -0.025 0.000 0.290 1303 I C -0.275 175.809 176.117 -0.055 0.000 1.008 1303 I CA -0.293 60.999 61.300 -0.014 0.000 1.226 1303 I CB 0.796 38.788 38.000 -0.013 0.000 1.371 1303 I HN 0.410 nan 8.210 nan 0.000 0.468 1304 L N 6.340 127.521 121.223 -0.070 0.000 2.280 1304 L HA 0.499 4.824 4.340 -0.025 0.000 0.287 1304 L C -0.223 176.493 176.870 -0.257 0.000 1.023 1304 L CA -0.352 54.352 54.840 -0.226 0.000 0.819 1304 L CB 1.139 43.058 42.059 -0.234 0.000 1.212 1304 L HN 0.532 nan 8.230 nan 0.000 0.420 1305 T N 3.292 117.673 114.554 -0.287 0.000 2.770 1305 T HA 0.499 4.834 4.350 -0.025 0.000 0.297 1305 T C -0.402 174.195 174.700 -0.171 0.000 0.997 1305 T CA -0.258 61.755 62.100 -0.145 0.000 0.949 1305 T CB 0.259 69.087 68.868 -0.068 0.000 0.941 1305 T HN 0.068 nan 8.240 nan 0.000 0.457 1306 F N 3.954 123.989 119.950 0.143 0.000 2.404 1306 F HA 0.637 5.149 4.527 -0.025 0.000 0.339 1306 F C 0.151 176.105 175.800 0.256 0.000 1.105 1306 F CA -0.852 57.244 58.000 0.160 0.000 1.087 1306 F CB 0.890 39.935 39.000 0.075 0.000 1.143 1306 F HN 0.628 nan 8.300 nan 0.000 0.491 1307 Y N -0.341 120.066 120.300 0.178 0.000 2.677 1307 Y HA 0.409 4.944 4.550 -0.025 0.000 0.334 1307 Y C -1.623 174.328 175.900 0.086 0.000 1.196 1307 Y CA -1.496 56.667 58.100 0.105 0.000 1.059 1307 Y CB 1.096 39.591 38.460 0.059 0.000 1.315 1307 Y HN 0.453 nan 8.280 nan 0.000 0.455 1308 N N 1.538 120.227 118.700 -0.018 0.000 2.434 1308 N HA 0.603 5.328 4.740 -0.025 0.000 0.272 1308 N C -1.059 174.362 175.510 -0.148 0.000 1.040 1308 N CA -0.233 52.737 53.050 -0.133 0.000 0.956 1308 N CB 1.795 40.272 38.487 -0.016 0.000 1.108 1308 N HN 0.821 nan 8.380 nan 0.000 0.481 1309 A N 2.459 125.114 122.820 -0.274 0.000 2.325 1309 A HA 0.277 4.583 4.320 -0.025 0.000 0.333 1309 A C 0.033 177.599 177.584 -0.031 0.000 1.155 1309 A CA -0.718 51.253 52.037 -0.110 0.000 0.814 1309 A CB 0.873 19.767 19.000 -0.177 0.000 1.206 1309 A HN 0.529 nan 8.150 nan 0.000 0.482 1310 Q N 1.019 120.832 119.800 0.023 0.000 2.286 1310 Q HA 0.059 4.384 4.340 -0.025 0.000 0.290 1310 Q C -0.059 175.945 176.000 0.007 0.000 1.049 1310 Q CA -0.047 55.767 55.803 0.019 0.000 0.923 1310 Q CB 0.616 29.372 28.738 0.031 0.000 1.183 1310 Q HN 0.624 nan 8.270 nan 0.000 0.383 1318 c N 3.893 122.562 118.600 0.114 0.000 2.542 1318 c HA 0.334 4.889 4.570 -0.025 0.000 0.304 1318 c C 1.134 175.317 174.090 0.155 0.000 0.794 1318 c CA 0.195 56.616 56.329 0.154 0.000 0.890 1318 c CB -0.609 42.000 42.510 0.165 0.000 1.554 1318 c HN 1.085 nan 8.230 nan 0.000 0.707 1319 N N 1.044 119.821 118.700 0.128 0.000 2.173 1319 N HA 0.079 4.804 4.740 -0.025 0.000 0.184 1319 N C 1.567 177.076 175.510 -0.001 0.000 1.025 1319 N CA 1.383 54.472 53.050 0.066 0.000 0.852 1319 N CB 0.213 38.738 38.487 0.064 0.000 0.998 1319 N HN 0.683 nan 8.380 nan 0.000 0.427 1320 K N -1.834 118.591 120.400 0.042 0.000 2.374 1320 K HA 0.208 4.513 4.320 -0.025 0.000 0.202 1320 K C -0.738 175.637 176.600 -0.375 0.000 1.040 1320 K CA -0.032 56.155 56.287 -0.166 0.000 1.085 1320 K CB 0.860 33.337 32.500 -0.039 0.000 0.873 1320 K HN 0.003 nan 8.250 nan 0.000 0.539 1321 F N -0.176 119.800 119.950 0.042 0.000 2.576 1321 F HA 0.353 4.866 4.527 -0.025 0.000 0.313 1321 F C 0.076 175.923 175.800 0.078 0.000 1.078 1321 F CA -0.986 57.059 58.000 0.075 0.000 0.921 1321 F CB 1.505 40.594 39.000 0.148 0.000 1.232 1321 F HN -0.112 nan 8.300 nan 0.000 0.459 1322 H N 1.935 121.145 119.070 0.233 0.000 2.467 1322 H HA 0.682 5.223 4.556 -0.025 0.000 0.331 1322 H C -1.293 174.129 175.328 0.157 0.000 1.120 1322 H CA -0.954 55.184 56.048 0.151 0.000 1.270 1322 H CB 2.076 31.892 29.762 0.090 0.000 1.466 1322 H HN 0.424 nan 8.280 nan 0.000 0.504 1323 L N 3.416 124.776 121.223 0.227 0.000 2.505 1323 L HA 0.368 4.694 4.340 -0.025 0.000 0.266 1323 L C -1.627 175.279 176.870 0.059 0.000 0.954 1323 L CA -0.585 54.328 54.840 0.121 0.000 0.852 1323 L CB 1.707 43.818 42.059 0.087 0.000 1.282 1323 L HN 0.610 nan 8.230 nan 0.000 0.403 1324 N N 3.870 122.590 118.700 0.033 0.000 2.342 1324 N HA 0.735 5.460 4.740 -0.025 0.000 0.293 1324 N C -1.425 174.075 175.510 -0.017 0.000 1.026 1324 N CA -0.331 52.722 53.050 0.005 0.000 0.857 1324 N CB 2.753 41.238 38.487 -0.003 0.000 1.256 1324 N HN 0.381 nan 8.380 nan 0.000 0.484 1325 V N 0.743 120.645 119.914 -0.020 0.000 2.709 1325 V HA 0.679 4.784 4.120 -0.025 0.000 0.308 1325 V C -0.313 175.750 176.094 -0.053 0.000 1.062 1325 V CA -0.708 61.554 62.300 -0.065 0.000 0.901 1325 V CB 1.757 33.552 31.823 -0.047 0.000 1.003 1325 V HN 0.856 nan 8.190 nan 0.000 0.425 1326 S N 3.037 118.667 115.700 -0.116 0.000 2.588 1326 S HA 0.875 5.330 4.470 -0.025 0.000 0.275 1326 S C -1.373 173.126 174.600 -0.168 0.000 1.130 1326 S CA -0.805 57.344 58.200 -0.086 0.000 0.855 1326 S CB 2.138 65.302 63.200 -0.060 0.000 1.116 1326 S HN 0.868 nan 8.310 nan 0.000 0.472 1327 V N 0.884 120.735 119.914 -0.105 0.000 2.789 1327 V HA 0.742 4.847 4.120 -0.025 0.000 0.311 1327 V C -1.486 174.551 176.094 -0.095 0.000 1.073 1327 V CA -0.338 61.876 62.300 -0.143 0.000 0.921 1327 V CB 1.901 33.680 31.823 -0.074 0.000 1.009 1327 V HN 1.103 nan 8.190 nan 0.000 0.426 1328 E N 3.404 123.540 120.200 -0.106 0.000 2.393 1328 E HA 0.437 4.773 4.350 -0.025 0.000 0.273 1328 E C -1.180 175.383 176.600 -0.061 0.000 0.918 1328 E CA -0.812 55.545 56.400 -0.072 0.000 0.773 1328 E CB 2.112 31.773 29.700 -0.065 0.000 1.275 1328 E HN 0.777 nan 8.360 nan 0.000 0.451 1329 N N 1.148 119.826 118.700 -0.036 0.000 2.525 1329 N HA 0.370 5.095 4.740 -0.025 0.000 0.271 1329 N C -0.730 174.784 175.510 0.006 0.000 1.194 1329 N CA 0.008 53.052 53.050 -0.010 0.000 0.964 1329 N CB 0.613 39.099 38.487 -0.001 0.000 1.126 1329 N HN 0.313 nan 8.380 nan 0.000 0.452 1330 I N -1.899 118.691 120.570 0.033 0.000 2.969 1330 I HA 0.427 4.582 4.170 -0.025 0.000 0.307 1330 I C -1.130 175.060 176.117 0.121 0.000 1.149 1330 I CA -1.061 60.274 61.300 0.058 0.000 1.008 1330 I CB 2.037 40.058 38.000 0.036 0.000 1.232 1330 I HN 0.443 nan 8.210 nan 0.000 0.435 1331 H N 4.576 123.648 119.070 0.004 0.000 2.556 1331 H HA 0.624 5.165 4.556 -0.025 0.000 0.310 1331 H C -1.579 173.755 175.328 0.010 0.000 1.057 1331 H CA -0.631 55.421 56.048 0.007 0.000 1.264 1331 H CB 1.054 30.818 29.762 0.004 0.000 1.404 1331 H HN 0.541 nan 8.280 nan 0.000 0.462 1332 L N 6.413 127.521 121.223 -0.192 0.000 2.345 1332 L HA 0.340 4.666 4.340 -0.025 0.000 0.274 1332 L C -0.527 176.165 176.870 -0.297 0.000 0.999 1332 L CA -0.769 53.936 54.840 -0.225 0.000 0.849 1332 L CB 0.759 42.778 42.059 -0.066 0.000 1.220 1332 L HN 0.734 nan 8.230 nan 0.000 0.422 1339 G N -0.043 108.778 108.800 0.035 0.000 4.683 1339 G HA2 0.477 4.423 3.960 -0.025 0.000 0.273 1339 G HA3 0.477 4.423 3.960 -0.025 0.000 0.273 1339 G C 0.086 175.071 174.900 0.143 0.000 1.065 1339 G CA 0.195 45.340 45.100 0.074 0.000 0.837 1339 G HN 0.668 nan 8.290 nan 0.000 0.526 1340 A N 0.225 123.116 122.820 0.117 0.000 2.507 1340 A HA 0.627 4.932 4.320 -0.025 0.000 0.235 1340 A C 0.030 177.693 177.584 0.132 0.000 1.070 1340 A CA 0.510 52.633 52.037 0.144 0.000 0.768 1340 A CB 0.387 19.436 19.000 0.083 0.000 1.011 1340 A HN 0.473 nan 8.150 nan 0.000 0.502 1341 L N 0.506 121.795 121.223 0.110 0.000 2.333 1341 L HA 0.621 4.946 4.340 -0.025 0.000 0.263 1341 L C -0.343 176.491 176.870 -0.059 0.000 1.014 1341 L CA -0.848 53.983 54.840 -0.015 0.000 0.820 1341 L CB 2.086 44.063 42.059 -0.138 0.000 1.352 1341 L HN 0.784 nan 8.230 nan 0.000 0.421 1342 M N 2.775 122.314 119.600 -0.102 0.000 2.114 1342 M HA 0.449 4.914 4.480 -0.025 0.000 0.332 1342 M C -1.532 174.623 176.300 -0.242 0.000 1.014 1342 M CA -0.504 54.715 55.300 -0.134 0.000 0.956 1342 M CB 1.309 33.862 32.600 -0.079 0.000 1.551 1342 M HN 0.353 nan 8.290 nan 0.000 0.427 1343 L N 6.124 127.104 121.223 -0.405 0.000 2.275 1343 L HA 0.589 4.915 4.340 -0.025 0.000 0.288 1343 L C -1.116 175.499 176.870 -0.425 0.000 1.046 1343 L CA 0.355 54.854 54.840 -0.567 0.000 0.805 1343 L CB 0.570 42.067 42.059 -0.937 0.000 1.193 1343 L HN 0.699 nan 8.230 nan 0.000 0.426 1344 K N 6.479 126.694 120.400 -0.309 0.000 2.345 1344 K HA 0.669 4.974 4.320 -0.025 0.000 0.255 1344 K C -1.339 175.165 176.600 -0.160 0.000 0.934 1344 K CA -0.505 55.682 56.287 -0.166 0.000 0.801 1344 K CB 2.209 34.639 32.500 -0.116 0.000 1.137 1344 K HN 0.517 nan 8.250 nan 0.000 0.424 1345 I N 2.207 122.723 120.570 -0.089 0.000 2.534 1345 I HA 0.326 4.481 4.170 -0.025 0.000 0.288 1345 I C -0.989 175.120 176.117 -0.013 0.000 1.077 1345 I CA -0.803 60.456 61.300 -0.068 0.000 1.051 1345 I CB 1.929 39.885 38.000 -0.074 0.000 1.234 1345 I HN 0.596 nan 8.210 nan 0.000 0.425 1346 c N 3.568 122.168 118.600 -0.000 0.000 2.498 1346 c HA 0.818 5.373 4.570 -0.025 0.000 0.316 1346 c C 0.163 174.288 174.090 0.059 0.000 1.209 1346 c CA -0.440 55.908 56.329 0.031 0.000 1.518 1346 c CB 1.763 44.290 42.510 0.028 0.000 2.147 1346 c HN 0.788 nan 8.230 nan 0.000 0.483 1347 T N 2.646 117.254 114.554 0.089 0.000 2.916 1347 T HA 0.715 5.050 4.350 -0.025 0.000 0.305 1347 T C -1.302 173.519 174.700 0.201 0.000 1.119 1347 T CA -0.471 61.721 62.100 0.154 0.000 1.008 1347 T CB 1.276 70.219 68.868 0.125 0.000 1.129 1347 T HN 0.873 nan 8.240 nan 0.000 0.480 1348 R N 2.310 122.973 120.500 0.271 0.000 2.698 1348 R HA 0.526 4.851 4.340 -0.025 0.000 0.275 1348 R C -1.900 174.552 176.300 0.252 0.000 1.001 1348 R CA -0.758 55.485 56.100 0.238 0.000 0.896 1348 R CB 1.432 31.826 30.300 0.156 0.000 1.218 1348 R HN 0.654 nan 8.270 nan 0.000 0.462 1349 Y N 3.951 124.261 120.300 0.017 0.000 2.304 1349 Y HA 0.261 4.796 4.550 -0.025 0.000 0.328 1349 Y C 0.148 175.914 175.900 -0.224 0.000 1.123 1349 Y CA -0.373 57.551 58.100 -0.293 0.000 1.218 1349 Y CB 1.064 39.382 38.460 -0.237 0.000 1.207 1349 Y HN 0.602 nan 8.280 nan 0.000 0.495 1350 L N 5.578 126.253 121.223 -0.913 0.000 2.628 1350 L HA 0.267 4.592 4.340 -0.025 0.000 0.229 1350 L C 1.277 177.705 176.870 -0.738 0.000 1.137 1350 L CA 0.136 54.572 54.840 -0.673 0.000 0.909 1350 L CB -0.644 41.080 42.059 -0.558 0.000 1.137 1350 L HN 0.811 nan 8.230 nan 0.000 0.470 1351 G N -0.317 107.715 108.800 -1.280 0.000 2.516 1351 G HA2 0.104 4.050 3.960 -0.025 0.000 0.276 1351 G HA3 0.104 4.050 3.960 -0.025 0.000 0.276 1351 G C 0.589 175.229 174.900 -0.434 0.000 1.390 1351 G CA -0.217 44.427 45.100 -0.761 0.000 1.050 1351 G HN 0.063 nan 8.290 nan 0.000 0.519 1352 E N -1.379 118.605 120.200 -0.360 0.000 2.460 1352 E HA 0.129 4.464 4.350 -0.025 0.000 0.200 1352 E C 0.835 176.945 176.600 -0.816 0.000 1.011 1352 E CA 0.154 56.264 56.400 -0.483 0.000 0.912 1352 E CB 0.726 30.286 29.700 -0.234 0.000 0.953 1352 E HN 0.328 nan 8.360 nan 0.000 0.494 1353 V N -1.661 117.944 119.914 -0.515 0.000 3.141 1353 V HA 0.492 4.598 4.120 -0.025 0.000 0.312 1353 V C -0.425 175.728 176.094 0.097 0.000 1.157 1353 V CA -1.304 60.829 62.300 -0.279 0.000 1.041 1353 V CB 1.820 33.605 31.823 -0.064 0.000 1.071 1353 V HN -0.288 nan 8.190 nan 0.000 0.441 1354 D N 2.307 122.864 120.400 0.263 0.000 2.443 1354 D HA 0.310 4.936 4.640 -0.025 0.000 0.239 1354 D C 0.549 176.831 176.300 -0.030 0.000 1.136 1354 D CA 0.529 54.659 54.000 0.217 0.000 0.879 1354 D CB 1.094 41.992 40.800 0.162 0.000 1.195 1354 D HN 0.970 nan 8.370 nan 0.000 0.443 1355 S N 0.468 115.992 115.700 -0.294 0.000 2.474 1355 S HA 0.254 4.709 4.470 -0.025 0.000 0.276 1355 S C 0.291 174.823 174.600 -0.112 0.000 1.227 1355 S CA -0.864 57.005 58.200 -0.551 0.000 1.050 1355 S CB 1.125 63.693 63.200 -1.052 0.000 0.939 1355 S HN 0.351 nan 8.310 nan 0.000 0.490 1356 T N 4.597 119.158 114.554 0.011 0.000 2.910 1356 T HA 0.319 4.655 4.350 -0.025 0.000 0.293 1356 T C 0.466 175.239 174.700 0.122 0.000 1.015 1356 T CA -0.456 61.701 62.100 0.094 0.000 1.094 1356 T CB -0.269 68.689 68.868 0.150 0.000 0.968 1356 T HN 0.752 nan 8.240 nan 0.000 0.521 1357 M N 3.063 122.714 119.600 0.085 0.000 3.241 1357 M HA -0.137 4.329 4.480 -0.025 0.000 0.169 1357 M C 0.069 176.439 176.300 0.117 0.000 1.333 1357 M CA 0.660 56.014 55.300 0.091 0.000 0.838 1357 M CB -2.913 29.720 32.600 0.055 0.000 1.258 1357 M HN 0.674 nan 8.290 nan 0.000 0.656 1358 T N 2.356 116.955 114.554 0.075 0.000 2.907 1358 T HA 0.826 5.162 4.350 -0.025 0.000 0.284 1358 T C 0.670 175.309 174.700 -0.102 0.000 1.004 1358 T CA -0.505 61.597 62.100 0.004 0.000 1.063 1358 T CB 1.752 70.638 68.868 0.029 0.000 0.992 1358 T HN 0.432 nan 8.240 nan 0.000 0.483 1359 I N 3.129 123.499 120.570 -0.333 0.000 2.466 1359 I HA 0.393 4.549 4.170 -0.025 0.000 0.289 1359 I C -0.753 174.967 176.117 -0.663 0.000 1.026 1359 I CA -0.901 60.085 61.300 -0.524 0.000 1.078 1359 I CB 1.710 39.330 38.000 -0.634 0.000 1.249 1359 I HN 0.332 nan 8.210 nan 0.000 0.429 1360 I N 4.883 125.170 120.570 -0.471 0.000 2.330 1360 I HA 0.288 4.443 4.170 -0.025 0.000 0.289 1360 I C -0.546 175.383 176.117 -0.313 0.000 1.001 1360 I CA -0.208 60.876 61.300 -0.360 0.000 1.193 1360 I CB 1.266 39.135 38.000 -0.218 0.000 1.345 1360 I HN 0.528 nan 8.210 nan 0.000 0.461 1361 D N 8.358 128.607 120.400 -0.251 0.000 2.414 1361 D HA 0.486 5.111 4.640 -0.025 0.000 0.232 1361 D C -0.748 175.522 176.300 -0.050 0.000 1.070 1361 D CA -0.264 53.655 54.000 -0.136 0.000 0.839 1361 D CB 1.040 41.827 40.800 -0.020 0.000 1.079 1361 D HN 0.352 nan 8.370 nan 0.000 0.521 1362 I N 2.458 123.017 120.570 -0.019 0.000 2.406 1362 I HA 0.250 4.405 4.170 -0.025 0.000 0.290 1362 I C 0.281 176.450 176.117 0.087 0.000 0.999 1362 I CA -0.847 60.484 61.300 0.051 0.000 1.124 1362 I CB 1.925 39.982 38.000 0.096 0.000 1.289 1362 I HN 0.285 nan 8.210 nan 0.000 0.441 1363 S N 6.674 122.445 115.700 0.119 0.000 2.509 1363 S HA 0.628 5.083 4.470 -0.025 0.000 0.297 1363 S C -0.266 174.431 174.600 0.162 0.000 1.118 1363 S CA -0.993 57.276 58.200 0.116 0.000 1.074 1363 S CB 1.649 64.897 63.200 0.080 0.000 1.038 1363 S HN 0.394 nan 8.310 nan 0.000 0.498 1364 M N 2.669 122.353 119.600 0.140 0.000 2.242 1364 M HA 0.299 4.764 4.480 -0.025 0.000 0.344 1364 M C 0.036 176.357 176.300 0.035 0.000 1.140 1364 M CA -0.432 54.956 55.300 0.148 0.000 1.160 1364 M CB 0.006 32.698 32.600 0.155 0.000 1.491 1364 M HN 0.721 nan 8.290 nan 0.000 0.459 1365 L N 1.762 122.949 121.223 -0.060 0.000 2.529 1365 L HA -0.019 4.306 4.340 -0.025 0.000 0.287 1365 L C 0.742 177.612 176.870 0.000 0.000 1.241 1365 L CA 0.165 54.900 54.840 -0.175 0.000 0.857 1365 L CB -0.255 41.537 42.059 -0.445 0.000 1.113 1365 L HN 0.692 nan 8.230 nan 0.000 0.504 1366 T N 2.408 116.947 114.554 -0.025 0.000 2.800 1366 T HA 0.168 4.504 4.350 -0.025 0.000 0.283 1366 T C 1.142 175.764 174.700 -0.131 0.000 0.999 1366 T CA 0.818 62.911 62.100 -0.013 0.000 1.176 1366 T CB 0.325 69.198 68.868 0.007 0.000 0.973 1366 T HN 1.042 nan 8.240 nan 0.000 0.519 1367 G N 2.369 110.844 108.800 -0.542 0.000 2.176 1367 G HA2 -0.230 3.715 3.960 -0.025 0.000 0.253 1367 G HA3 -0.230 3.715 3.960 -0.025 0.000 0.253 1367 G C -0.011 174.509 174.900 -0.634 0.000 0.979 1367 G CA -0.431 43.852 45.100 -1.361 0.000 0.641 1367 G HN 0.636 nan 8.290 nan 0.000 0.530 1368 F N -0.151 119.627 119.950 -0.286 0.000 2.458 1368 F HA 0.816 5.328 4.527 -0.025 0.000 0.330 1368 F C 0.668 176.451 175.800 -0.029 0.000 1.082 1368 F CA -0.990 56.941 58.000 -0.114 0.000 0.995 1368 F CB 1.613 40.566 39.000 -0.078 0.000 1.170 1368 F HN -0.033 nan 8.300 nan 0.000 0.478 1369 L N 2.718 124.025 121.223 0.140 0.000 2.371 1369 L HA 0.525 4.851 4.340 -0.025 0.000 0.262 1369 L C -2.640 174.293 176.870 0.106 0.000 1.006 1369 L CA -2.379 52.511 54.840 0.084 0.000 0.818 1369 L CB 2.498 44.538 42.059 -0.032 0.000 1.354 1369 L HN 0.295 nan 8.230 nan 0.000 0.415 1370 P HA -0.027 nan 4.420 nan 0.000 0.268 1370 P C -1.012 176.300 177.300 0.021 0.000 1.205 1370 P CA -0.177 62.987 63.100 0.107 0.000 0.771 1370 P CB 0.428 32.068 31.700 -0.100 0.000 0.858 1371 D N 2.472 122.920 120.400 0.080 0.000 2.450 1371 D HA -0.010 4.615 4.640 -0.025 0.000 0.247 1371 D C 1.105 177.382 176.300 -0.039 0.000 1.162 1371 D CA 0.118 54.136 54.000 0.031 0.000 0.879 1371 D CB 1.051 41.893 40.800 0.069 0.000 1.163 1371 D HN 0.302 nan 8.370 nan 0.000 0.472 1372 A N 4.659 127.456 122.820 -0.038 0.000 1.902 1372 A HA -0.209 4.096 4.320 -0.025 0.000 0.217 1372 A C 1.984 179.564 177.584 -0.007 0.000 1.181 1372 A CA 1.653 53.672 52.037 -0.030 0.000 0.623 1372 A CB -0.435 18.583 19.000 0.030 0.000 0.818 1372 A HN 0.837 nan 8.150 nan 0.000 0.443 1373 E N -0.258 119.943 120.200 0.001 0.000 2.077 1373 E HA -0.267 4.069 4.350 -0.025 0.000 0.193 1373 E C 1.285 177.876 176.600 -0.016 0.000 0.989 1373 E CA 1.553 57.954 56.400 0.002 0.000 0.800 1373 E CB -0.231 29.472 29.700 0.006 0.000 0.746 1373 E HN 0.505 nan 8.360 nan 0.000 0.452 1374 D N 0.477 120.865 120.400 -0.019 0.000 2.117 1374 D HA -0.146 4.479 4.640 -0.025 0.000 0.197 1374 D C 1.947 178.173 176.300 -0.124 0.000 0.987 1374 D CA 0.580 54.560 54.000 -0.033 0.000 0.829 1374 D CB -0.269 40.561 40.800 0.049 0.000 0.961 1374 D HN 0.171 nan 8.370 nan 0.000 0.460 1375 L N 0.686 121.783 121.223 -0.209 0.000 2.046 1375 L HA -0.135 4.190 4.340 -0.025 0.000 0.208 1375 L C 2.225 179.012 176.870 -0.137 0.000 1.077 1375 L CA 1.693 56.327 54.840 -0.344 0.000 0.747 1375 L CB -0.958 40.772 42.059 -0.549 0.000 0.896 1375 L HN -0.004 nan 8.230 nan 0.000 0.432 1376 T N -0.659 113.887 114.554 -0.013 0.000 2.746 1376 T HA -0.235 4.100 4.350 -0.025 0.000 0.267 1376 T C 1.970 176.661 174.700 -0.015 0.000 1.039 1376 T CA 1.578 63.703 62.100 0.043 0.000 1.142 1376 T CB -0.251 68.648 68.868 0.052 0.000 0.866 1376 T HN 0.355 nan 8.240 nan 0.000 0.444 1377 R N 0.771 121.249 120.500 -0.037 0.000 2.083 1377 R HA -0.021 4.304 4.340 -0.025 0.000 0.237 1377 R C 2.403 178.666 176.300 -0.061 0.000 1.137 1377 R CA 1.299 57.373 56.100 -0.043 0.000 0.951 1377 R CB -0.560 29.713 30.300 -0.045 0.000 0.851 1377 R HN 0.351 nan 8.270 nan 0.000 0.434 1378 L N 1.154 122.317 121.223 -0.100 0.000 2.127 1378 L HA -0.153 4.173 4.340 -0.025 0.000 0.211 1378 L C 2.523 179.343 176.870 -0.085 0.000 1.089 1378 L CA 1.705 56.475 54.840 -0.116 0.000 0.757 1378 L CB -0.359 41.584 42.059 -0.194 0.000 0.899 1378 L HN 0.441 nan 8.230 nan 0.000 0.434 1379 S N -1.388 114.270 115.700 -0.070 0.000 2.522 1379 S HA -0.012 4.443 4.470 -0.025 0.000 0.227 1379 S C 0.905 175.492 174.600 -0.021 0.000 0.986 1379 S CA -0.042 58.128 58.200 -0.049 0.000 0.929 1379 S CB -0.090 63.093 63.200 -0.027 0.000 0.769 1379 S HN 0.127 nan 8.310 nan 0.000 0.529 1380 K N 1.891 122.280 120.400 -0.019 0.000 2.258 1380 K HA 0.571 4.877 4.320 -0.025 0.000 0.264 1380 K C 0.590 177.193 176.600 0.004 0.000 1.007 1380 K CA 0.680 56.965 56.287 -0.005 0.000 0.941 1380 K CB 0.355 32.850 32.500 -0.008 0.000 0.966 1380 K HN 0.501 nan 8.250 nan 0.000 0.480 1381 G N -0.620 108.188 108.800 0.013 0.000 2.592 1381 G HA2 -0.153 3.792 3.960 -0.025 0.000 0.685 1381 G HA3 -0.153 3.792 3.960 -0.025 0.000 0.685 1381 G C -0.127 174.790 174.900 0.029 0.000 1.278 1381 G CA -0.795 44.316 45.100 0.018 0.000 0.822 1381 G HN 0.215 nan 8.290 nan 0.000 0.652 1382 V N 1.183 121.112 119.914 0.025 0.000 3.636 1382 V HA 0.140 4.245 4.120 -0.025 0.000 0.279 1382 V C 1.465 177.577 176.094 0.031 0.000 1.263 1382 V CA 1.821 64.136 62.300 0.026 0.000 1.182 1382 V CB -0.193 31.640 31.823 0.016 0.000 0.955 1382 V HN 0.884 nan 8.190 nan 0.000 0.443 1383 D N -0.976 119.447 120.400 0.038 0.000 2.527 1383 D HA 0.126 4.752 4.640 -0.025 0.000 0.224 1383 D C 0.671 177.008 176.300 0.062 0.000 1.217 1383 D CA -0.249 53.776 54.000 0.042 0.000 0.819 1383 D CB 0.646 41.466 40.800 0.034 0.000 1.061 1383 D HN 0.331 nan 8.370 nan 0.000 0.515 1384 R N -0.982 119.567 120.500 0.081 0.000 2.855 1384 R HA 0.643 4.968 4.340 -0.025 0.000 0.266 1384 R C -1.924 174.500 176.300 0.206 0.000 1.034 1384 R CA -0.882 55.286 56.100 0.113 0.000 0.944 1384 R CB 1.927 32.263 30.300 0.060 0.000 1.219 1384 R HN 0.027 nan 8.270 nan 0.000 0.474 1385 Y N 0.663 121.019 120.300 0.093 0.000 2.480 1385 Y HA 0.539 5.074 4.550 -0.025 0.000 0.329 1385 Y C -1.850 174.176 175.900 0.210 0.000 1.127 1385 Y CA -0.700 57.468 58.100 0.112 0.000 1.037 1385 Y CB 1.398 39.893 38.460 0.059 0.000 1.320 1385 Y HN 0.463 nan 8.280 nan 0.000 0.446 1386 I N 4.795 125.009 120.570 -0.593 0.000 2.499 1386 I HA 0.319 4.474 4.170 -0.025 0.000 0.288 1386 I C -0.177 175.504 176.117 -0.726 0.000 1.048 1386 I CA -0.930 60.131 61.300 -0.398 0.000 1.062 1386 I CB 2.123 40.028 38.000 -0.159 0.000 1.238 1386 I HN 0.650 nan 8.210 nan 0.000 0.426 1387 S N 5.748 121.243 115.700 -0.342 0.000 2.584 1387 S HA 0.205 4.660 4.470 -0.025 0.000 0.270 1387 S C 0.435 174.997 174.600 -0.063 0.000 1.346 1387 S CA -0.329 57.772 58.200 -0.164 0.000 1.018 1387 S CB 0.672 63.980 63.200 0.181 0.000 0.899 1387 S HN 0.623 nan 8.310 nan 0.000 0.542 1388 R N 1.825 122.292 120.500 -0.055 0.000 2.500 1388 R HA 0.010 4.335 4.340 -0.025 0.000 0.281 1388 R C -1.130 175.148 176.300 -0.035 0.000 0.953 1388 R CA 0.792 56.819 56.100 -0.121 0.000 1.108 1388 R CB -0.250 30.018 30.300 -0.052 0.000 0.901 1388 R HN 0.665 nan 8.270 nan 0.000 0.410 1389 Y N 0.866 121.135 120.300 -0.051 0.000 2.470 1389 Y HA 0.410 4.945 4.550 -0.025 0.000 0.341 1389 Y C -0.877 174.999 175.900 -0.039 0.000 1.021 1389 Y CA -1.491 56.583 58.100 -0.044 0.000 1.025 1389 Y CB 0.970 39.392 38.460 -0.063 0.000 1.266 1389 Y HN 0.365 nan 8.280 nan 0.000 0.448 1390 E N 1.938 122.198 120.200 0.101 0.000 2.392 1390 E HA 0.445 4.780 4.350 -0.025 0.000 0.256 1390 E C -0.843 175.839 176.600 0.137 0.000 1.145 1390 E CA -0.510 55.928 56.400 0.063 0.000 0.929 1390 E CB 2.066 31.789 29.700 0.039 0.000 0.998 1390 E HN 0.537 nan 8.360 nan 0.000 0.442 1391 V N 1.291 121.252 119.914 0.078 0.000 2.709 1391 V HA 0.321 4.426 4.120 -0.025 0.000 0.308 1391 V C -0.712 175.396 176.094 0.024 0.000 1.062 1391 V CA -0.784 61.558 62.300 0.071 0.000 0.901 1391 V CB 2.165 34.038 31.823 0.085 0.000 1.003 1391 V HN 0.624 nan 8.190 nan 0.000 0.425 1392 D N 2.574 122.974 120.400 0.000 0.000 2.947 1392 D HA 0.360 4.985 4.640 -0.025 0.000 0.224 1392 D C -0.130 176.161 176.300 -0.015 0.000 1.230 1392 D CA -0.477 53.520 54.000 -0.006 0.000 0.871 1392 D CB 1.356 42.152 40.800 -0.007 0.000 1.671 1392 D HN 0.593 nan 8.370 nan 0.000 0.507 1393 N N 2.754 121.454 118.700 0.001 0.000 2.705 1393 N HA -0.303 4.423 4.740 -0.025 0.000 0.255 1393 N C -0.382 175.126 175.510 -0.004 0.000 1.008 1393 N CA 0.739 53.791 53.050 0.004 0.000 0.742 1393 N CB -0.893 37.603 38.487 0.015 0.000 0.906 1393 N HN 0.618 nan 8.380 nan 0.000 0.541 1394 N N -1.229 117.471 118.700 -0.000 0.000 2.681 1394 N HA -0.238 4.488 4.740 -0.025 0.000 0.250 1394 N C -1.190 174.313 175.510 -0.011 0.000 1.133 1394 N CA 1.777 54.827 53.050 0.001 0.000 0.732 1394 N CB -0.520 37.969 38.487 0.003 0.000 1.107 1394 N HN 0.601 nan 8.380 nan 0.000 0.559 1395 M N 0.015 119.598 119.600 -0.028 0.000 2.311 1395 M HA 0.547 5.013 4.480 -0.025 0.000 0.325 1395 M C 0.204 176.468 176.300 -0.061 0.000 1.061 1395 M CA -0.698 54.568 55.300 -0.057 0.000 0.957 1395 M CB 2.048 34.587 32.600 -0.103 0.000 1.646 1395 M HN 0.154 nan 8.290 nan 0.000 0.434 1396 A N 2.574 125.334 122.820 -0.100 0.000 2.409 1396 A HA 0.258 4.563 4.320 -0.025 0.000 0.267 1396 A C 0.171 177.698 177.584 -0.094 0.000 1.127 1396 A CA -0.380 51.581 52.037 -0.128 0.000 0.795 1396 A CB 0.290 18.981 19.000 -0.515 0.000 1.061 1396 A HN 0.758 nan 8.150 nan 0.000 0.502 1397 Q N 2.162 121.958 119.800 -0.007 0.000 3.247 1397 Q HA 0.160 4.486 4.340 -0.025 0.000 0.326 1397 Q C -0.722 175.289 176.000 0.018 0.000 1.402 1397 Q CA 0.410 56.205 55.803 -0.012 0.000 0.994 1397 Q CB -0.016 28.729 28.738 0.012 0.000 1.647 1397 Q HN 0.408 nan 8.270 nan 0.000 0.523 1398 K N 0.828 121.222 120.400 -0.011 0.000 2.601 1398 K HA 0.242 4.547 4.320 -0.025 0.000 0.249 1398 K C 0.484 177.100 176.600 0.027 0.000 0.966 1398 K CA -0.405 55.887 56.287 0.008 0.000 0.827 1398 K CB 2.201 34.679 32.500 -0.037 0.000 1.178 1398 K HN -0.080 nan 8.250 nan 0.000 0.437 1399 V N 0.791 120.745 119.914 0.068 0.000 2.951 1399 V HA 0.035 4.141 4.120 -0.025 0.000 0.255 1399 V C 0.711 176.855 176.094 0.084 0.000 1.088 1399 V CA 1.063 63.421 62.300 0.095 0.000 1.109 1399 V CB 0.062 31.962 31.823 0.127 0.000 0.724 1399 V HN 0.696 nan 8.190 nan 0.000 0.471 1400 A N -0.008 122.851 122.820 0.064 0.000 2.330 1400 A HA 0.714 5.019 4.320 -0.025 0.000 0.313 1400 A C -0.976 176.620 177.584 0.021 0.000 1.124 1400 A CA -0.321 51.749 52.037 0.054 0.000 0.774 1400 A CB 1.543 20.579 19.000 0.060 0.000 1.198 1400 A HN 0.028 nan 8.150 nan 0.000 0.465 1401 V N 4.382 124.293 119.914 -0.005 0.000 2.487 1401 V HA 0.441 4.546 4.120 -0.025 0.000 0.298 1401 V C -0.669 175.361 176.094 -0.107 0.000 1.028 1401 V CA -0.502 61.754 62.300 -0.072 0.000 0.860 1401 V CB 1.515 33.261 31.823 -0.129 0.000 0.991 1401 V HN 0.729 nan 8.190 nan 0.000 0.427 1402 I N 5.813 126.292 120.570 -0.151 0.000 2.404 1402 I HA 0.537 4.692 4.170 -0.025 0.000 0.293 1402 I C -0.315 175.539 176.117 -0.439 0.000 0.992 1402 I CA -0.562 60.547 61.300 -0.320 0.000 1.149 1402 I CB 1.787 39.562 38.000 -0.374 0.000 1.315 1402 I HN 0.450 nan 8.210 nan 0.000 0.446 1403 I N 6.448 126.737 120.570 -0.468 0.000 2.362 1403 I HA 0.299 4.454 4.170 -0.025 0.000 0.289 1403 I C -0.998 174.868 176.117 -0.417 0.000 0.994 1403 I CA -0.678 60.417 61.300 -0.342 0.000 1.158 1403 I CB 1.215 39.091 38.000 -0.206 0.000 1.315 1403 I HN 0.324 nan 8.210 nan 0.000 0.451 1404 Y N 6.429 126.728 120.300 -0.003 0.000 2.335 1404 Y HA 0.493 5.028 4.550 -0.025 0.000 0.339 1404 Y C -0.381 175.535 175.900 0.026 0.000 0.987 1404 Y CA -0.891 57.225 58.100 0.027 0.000 1.140 1404 Y CB 0.938 39.472 38.460 0.123 0.000 1.173 1404 Y HN 0.297 nan 8.280 nan 0.000 0.486 1405 L N 3.229 124.518 121.223 0.109 0.000 2.317 1405 L HA 0.378 4.704 4.340 -0.025 0.000 0.281 1405 L C 0.899 177.818 176.870 0.082 0.000 1.024 1405 L CA -0.474 54.411 54.840 0.075 0.000 0.810 1405 L CB 1.371 43.449 42.059 0.031 0.000 1.240 1405 L HN 0.612 nan 8.230 nan 0.000 0.427 1406 N N 1.755 120.496 118.700 0.068 0.000 2.244 1406 N HA -0.098 4.628 4.740 -0.025 0.000 0.183 1406 N C -0.036 175.505 175.510 0.051 0.000 1.016 1406 N CA 0.936 54.017 53.050 0.051 0.000 0.866 1406 N CB 0.091 38.601 38.487 0.038 0.000 0.980 1406 N HN 0.672 nan 8.380 nan 0.000 0.430 1407 K N -2.332 118.100 120.400 0.053 0.000 2.607 1407 K HA 0.493 4.799 4.320 -0.025 0.000 0.287 1407 K C -1.717 174.924 176.600 0.068 0.000 0.996 1407 K CA -0.846 55.474 56.287 0.056 0.000 0.876 1407 K CB 1.491 34.022 32.500 0.051 0.000 1.496 1407 K HN -0.297 nan 8.250 nan 0.000 0.415 1408 V N 1.042 121.009 119.914 0.089 0.000 2.604 1408 V HA 0.365 4.470 4.120 -0.025 0.000 0.305 1408 V C -0.352 175.831 176.094 0.150 0.000 1.043 1408 V CA -0.714 61.666 62.300 0.133 0.000 0.888 1408 V CB 1.857 33.813 31.823 0.221 0.000 0.995 1408 V HN 0.881 nan 8.190 nan 0.000 0.429 1409 S N 2.827 118.606 115.700 0.132 0.000 2.562 1409 S HA 0.074 4.530 4.470 -0.025 0.000 0.281 1409 S C 1.131 175.834 174.600 0.172 0.000 1.333 1409 S CA -0.002 58.265 58.200 0.111 0.000 1.052 1409 S CB 0.186 63.408 63.200 0.037 0.000 0.884 1409 S HN 0.983 nan 8.310 nan 0.000 0.506 1410 H N 2.443 121.589 119.070 0.128 0.000 2.575 1410 H HA 0.303 4.845 4.556 -0.024 0.000 0.267 1410 H C 0.889 176.239 175.328 0.037 0.000 0.966 1410 H CA 0.468 56.577 56.048 0.102 0.000 1.165 1410 H CB -0.026 29.809 29.762 0.121 0.000 1.433 1410 H HN 0.512 nan 8.280 nan 0.000 0.544 1411 S N -0.364 115.106 115.700 -0.384 0.000 2.499 1411 S HA 0.071 4.526 4.470 -0.025 0.000 0.225 1411 S C 0.526 175.062 174.600 -0.108 0.000 1.050 1411 S CA -0.157 57.855 58.200 -0.314 0.000 0.928 1411 S CB 1.114 64.088 63.200 -0.377 0.000 0.803 1411 S HN 0.556 nan 8.310 nan 0.000 0.506 1412 E N 1.028 121.193 120.200 -0.058 0.000 2.356 1412 E HA 0.300 4.635 4.350 -0.025 0.000 0.275 1412 E C -2.103 174.517 176.600 0.032 0.000 0.904 1412 E CA -0.658 55.738 56.400 -0.008 0.000 0.757 1412 E CB 1.328 31.020 29.700 -0.014 0.000 1.232 1412 E HN -0.073 nan 8.360 nan 0.000 0.442 1413 D N 2.227 122.655 120.400 0.047 0.000 2.455 1413 D HA 0.074 4.699 4.640 -0.025 0.000 0.241 1413 D C -0.710 175.626 176.300 0.060 0.000 1.138 1413 D CA 0.780 54.821 54.000 0.068 0.000 0.877 1413 D CB 0.687 41.525 40.800 0.062 0.000 1.187 1413 D HN 0.214 nan 8.370 nan 0.000 0.451 1414 E N 1.324 121.568 120.200 0.074 0.000 2.151 1414 E HA 0.398 4.733 4.350 -0.025 0.000 0.275 1414 E C -0.927 175.707 176.600 0.056 0.000 0.936 1414 E CA -0.677 55.760 56.400 0.061 0.000 0.777 1414 E CB 1.221 30.960 29.700 0.066 0.000 1.108 1414 E HN 0.385 nan 8.360 nan 0.000 0.401 1415 c N 3.315 121.946 118.600 0.053 0.000 2.529 1415 c HA 0.737 5.293 4.570 -0.025 0.000 0.329 1415 c C -0.771 173.364 174.090 0.074 0.000 1.194 1415 c CA -0.711 55.651 56.329 0.056 0.000 1.779 1415 c CB 0.151 42.694 42.510 0.055 0.000 2.322 1415 c HN 0.673 nan 8.230 nan 0.000 0.500 1416 L N 0.965 122.237 121.223 0.080 0.000 2.491 1416 L HA 0.947 5.272 4.340 -0.025 0.000 0.254 1416 L C -0.799 176.159 176.870 0.145 0.000 1.048 1416 L CA -0.619 54.277 54.840 0.093 0.000 0.855 1416 L CB 1.456 43.541 42.059 0.044 0.000 1.466 1416 L HN 0.944 nan 8.230 nan 0.000 0.409 1417 H N -0.908 118.197 119.070 0.058 0.000 3.064 1417 H HA 0.877 5.418 4.556 -0.025 0.000 0.352 1417 H C -1.475 173.937 175.328 0.141 0.000 1.260 1417 H CA -0.955 55.085 56.048 -0.013 0.000 1.160 1417 H CB 1.735 31.462 29.762 -0.059 0.000 1.879 1417 H HN 0.906 nan 8.280 nan 0.000 0.544 1418 F N -1.534 118.387 119.950 -0.048 0.000 2.719 1418 F HA 0.543 5.055 4.527 -0.025 0.000 0.309 1418 F C -1.600 174.184 175.800 -0.027 0.000 1.138 1418 F CA -1.376 56.577 58.000 -0.078 0.000 0.943 1418 F CB 1.456 40.376 39.000 -0.135 0.000 1.304 1418 F HN 0.530 nan 8.300 nan 0.000 0.445 1419 K N 2.807 123.298 120.400 0.152 0.000 2.237 1419 K HA 0.625 4.930 4.320 -0.025 0.000 0.270 1419 K C -0.548 176.131 176.600 0.130 0.000 1.015 1419 K CA -0.598 55.730 56.287 0.068 0.000 0.949 1419 K CB 1.551 34.102 32.500 0.085 0.000 0.976 1419 K HN 0.745 nan 8.250 nan 0.000 0.472 1420 I N 0.508 121.121 120.570 0.071 0.000 2.474 1420 I HA 0.456 4.611 4.170 -0.025 0.000 0.294 1420 I C -0.950 175.334 176.117 0.279 0.000 1.005 1420 I CA -1.081 60.330 61.300 0.185 0.000 1.113 1420 I CB 1.152 39.241 38.000 0.148 0.000 1.289 1420 I HN 0.352 nan 8.210 nan 0.000 0.436 1421 L N 4.113 125.470 121.223 0.223 0.000 2.330 1421 L HA 0.538 4.863 4.340 -0.025 0.000 0.271 1421 L C -0.036 176.727 176.870 -0.179 0.000 1.013 1421 L CA -0.961 53.929 54.840 0.083 0.000 0.816 1421 L CB 1.781 43.853 42.059 0.022 0.000 1.287 1421 L HN 0.635 nan 8.230 nan 0.000 0.435 1422 K N 1.089 121.208 120.400 -0.468 0.000 2.349 1422 K HA 0.059 4.364 4.320 -0.025 0.000 0.289 1422 K C 0.660 177.050 176.600 -0.350 0.000 1.064 1422 K CA -0.022 55.748 56.287 -0.862 0.000 0.947 1422 K CB 0.446 32.486 32.500 -0.766 0.000 1.007 1422 K HN 0.634 nan 8.250 nan 0.000 0.478 1423 H N 4.326 123.133 119.070 -0.438 0.000 2.320 1423 H HA 0.036 4.578 4.556 -0.025 0.000 0.309 1423 H C -0.220 175.085 175.328 -0.039 0.000 1.057 1423 H CA 0.695 56.647 56.048 -0.161 0.000 1.374 1423 H CB 0.262 29.998 29.762 -0.043 0.000 1.421 1423 H HN 0.519 nan 8.280 nan 0.000 0.532 1424 F N 0.005 119.800 119.950 -0.259 0.000 2.613 1424 F HA 0.519 5.032 4.527 -0.025 0.000 0.314 1424 F C -0.956 174.744 175.800 -0.167 0.000 1.075 1424 F CA -1.326 56.519 58.000 -0.257 0.000 0.945 1424 F CB 1.464 40.273 39.000 -0.319 0.000 1.310 1424 F HN -0.149 nan 8.300 nan 0.000 0.467 1425 E N 1.111 121.357 120.200 0.076 0.000 2.277 1425 E HA 0.640 4.975 4.350 -0.025 0.000 0.274 1425 E C -0.965 175.720 176.600 0.142 0.000 1.022 1425 E CA -0.926 55.491 56.400 0.029 0.000 0.853 1425 E CB 2.118 31.828 29.700 0.017 0.000 1.086 1425 E HN 0.624 nan 8.360 nan 0.000 0.397 1426 V N -0.553 119.416 119.914 0.092 0.000 3.102 1426 V HA 0.544 4.650 4.120 -0.025 0.000 0.312 1426 V C 1.046 177.207 176.094 0.111 0.000 1.135 1426 V CA -0.456 61.923 62.300 0.132 0.000 1.022 1426 V CB 1.264 33.178 31.823 0.151 0.000 1.056 1426 V HN 0.803 nan 8.190 nan 0.000 0.436 1427 G N 0.530 109.410 108.800 0.134 0.000 2.446 1427 G HA2 -0.086 3.859 3.960 -0.025 0.000 0.217 1427 G HA3 -0.086 3.859 3.960 -0.025 0.000 0.217 1427 G C 0.118 175.149 174.900 0.218 0.000 1.168 1427 G CA 1.752 46.941 45.100 0.148 0.000 0.771 1427 G HN 0.881 nan 8.290 nan 0.000 0.551 1428 F N 0.209 120.202 119.950 0.072 0.000 2.565 1428 F HA 0.608 5.121 4.527 -0.025 0.000 0.313 1428 F C -1.096 174.766 175.800 0.103 0.000 1.091 1428 F CA -1.966 56.082 58.000 0.080 0.000 0.915 1428 F CB 1.526 40.558 39.000 0.054 0.000 1.208 1428 F HN -0.171 nan 8.300 nan 0.000 0.453 1429 I N 5.099 125.171 120.570 -0.829 0.000 2.304 1429 I HA 0.240 4.395 4.170 -0.025 0.000 0.291 1429 I C -0.098 175.462 176.117 -0.929 0.000 1.018 1429 I CA -0.360 60.581 61.300 -0.598 0.000 1.260 1429 I CB 1.015 38.811 38.000 -0.339 0.000 1.390 1429 I HN 0.662 nan 8.210 nan 0.000 0.475 1430 Q N 7.062 126.604 119.800 -0.431 0.000 2.332 1430 Q HA 0.211 4.536 4.340 -0.025 0.000 0.263 1430 Q C -2.124 173.819 176.000 -0.094 0.000 0.979 1430 Q CA -1.494 54.218 55.803 -0.153 0.000 0.885 1430 Q CB 0.473 29.234 28.738 0.038 0.000 1.218 1430 Q HN 0.344 nan 8.270 nan 0.000 0.405 1431 P HA -0.084 nan 4.420 nan 0.000 0.266 1431 P C -0.257 176.935 177.300 -0.181 0.000 1.193 1431 P CA 0.225 63.289 63.100 -0.059 0.000 0.770 1431 P CB 0.483 32.181 31.700 -0.002 0.000 0.836 1432 G N 0.758 109.186 108.800 -0.619 0.000 2.535 1432 G HA2 0.585 4.530 3.960 -0.025 0.000 0.303 1432 G HA3 0.585 4.530 3.960 -0.025 0.000 0.303 1432 G C -0.756 173.964 174.900 -0.299 0.000 1.237 1432 G CA -0.382 44.371 45.100 -0.578 0.000 0.986 1432 G HN 0.609 nan 8.290 nan 0.000 0.494 1433 S N -2.309 113.372 115.700 -0.033 0.000 2.618 1433 S HA 0.731 5.186 4.470 -0.025 0.000 0.277 1433 S C -1.395 173.229 174.600 0.040 0.000 1.138 1433 S CA -0.711 57.425 58.200 -0.107 0.000 0.844 1433 S CB 2.059 64.986 63.200 -0.455 0.000 1.127 1433 S HN 0.795 nan 8.310 nan 0.000 0.474 1434 V N 1.508 121.386 119.914 -0.060 0.000 2.638 1434 V HA 0.592 4.698 4.120 -0.025 0.000 0.306 1434 V C -0.708 175.328 176.094 -0.097 0.000 1.052 1434 V CA -0.653 61.619 62.300 -0.046 0.000 0.885 1434 V CB 1.879 33.677 31.823 -0.042 0.000 0.999 1434 V HN 0.944 nan 8.190 nan 0.000 0.424 1435 K N 2.931 123.290 120.400 -0.070 0.000 2.318 1435 K HA 0.868 5.173 4.320 -0.025 0.000 0.249 1435 K C -1.571 174.949 176.600 -0.135 0.000 0.942 1435 K CA -0.832 55.437 56.287 -0.030 0.000 0.808 1435 K CB 2.812 35.385 32.500 0.121 0.000 1.189 1435 K HN 0.396 nan 8.250 nan 0.000 0.428 1436 V N 3.189 123.008 119.914 -0.159 0.000 2.588 1436 V HA 0.529 4.634 4.120 -0.025 0.000 0.304 1436 V C -1.290 174.546 176.094 -0.430 0.000 1.042 1436 V CA -0.757 61.265 62.300 -0.464 0.000 0.877 1436 V CB 0.919 32.413 31.823 -0.548 0.000 0.996 1436 V HN 0.845 nan 8.190 nan 0.000 0.425 1437 Y N 1.673 121.691 120.300 -0.469 0.000 2.764 1437 Y HA 0.896 5.431 4.550 -0.024 0.000 0.331 1437 Y C -0.299 175.509 175.900 -0.154 0.000 1.280 1437 Y CA -0.875 57.057 58.100 -0.280 0.000 1.065 1437 Y CB 1.491 39.908 38.460 -0.072 0.000 1.319 1437 Y HN 0.639 nan 8.280 nan 0.000 0.453 1438 S N -1.164 114.712 115.700 0.293 0.000 2.671 1438 S HA 0.299 4.755 4.470 -0.025 0.000 0.277 1438 S C -0.261 174.493 174.600 0.257 0.000 1.165 1438 S CA -0.531 57.819 58.200 0.250 0.000 0.822 1438 S CB 1.291 64.675 63.200 0.307 0.000 1.150 1438 S HN 0.970 nan 8.310 nan 0.000 0.479 1439 Y N 1.093 121.442 120.300 0.080 0.000 2.114 1439 Y HA -0.147 4.388 4.550 -0.025 0.000 0.282 1439 Y C 1.461 177.287 175.900 -0.124 0.000 1.165 1439 Y CA 1.949 60.005 58.100 -0.073 0.000 1.148 1439 Y CB -0.480 37.826 38.460 -0.256 0.000 0.972 1439 Y HN 0.771 nan 8.280 nan 0.000 0.504 1440 Y N -0.173 120.181 120.300 0.091 0.000 2.529 1440 Y HA 0.111 4.647 4.550 -0.025 0.000 0.290 1440 Y C 0.100 176.016 175.900 0.026 0.000 1.177 1440 Y CA 0.585 58.689 58.100 0.007 0.000 1.305 1440 Y CB -0.277 38.252 38.460 0.115 0.000 1.047 1440 Y HN 0.198 nan 8.280 nan 0.000 0.522 1441 N N -0.379 118.437 118.700 0.193 0.000 2.646 1441 N HA 0.221 4.946 4.740 -0.025 0.000 0.303 1441 N C 0.041 175.655 175.510 0.173 0.000 1.921 1441 N CA 0.014 53.190 53.050 0.210 0.000 0.872 1441 N CB 0.199 38.893 38.487 0.345 0.000 1.327 1441 N HN 0.145 nan 8.380 nan 0.000 0.492 1442 L N -0.438 120.812 121.223 0.045 0.000 2.610 1442 L HA 0.053 4.378 4.340 -0.025 0.000 0.232 1442 L C 1.033 177.869 176.870 -0.057 0.000 1.149 1442 L CA 0.548 55.373 54.840 -0.026 0.000 0.872 1442 L CB 0.022 42.014 42.059 -0.112 0.000 0.992 1442 L HN 0.285 nan 8.230 nan 0.000 0.447 1443 D N 0.276 120.683 120.400 0.012 0.000 2.162 1443 D HA -0.111 4.515 4.640 -0.025 0.000 0.203 1443 D C 0.982 177.305 176.300 0.039 0.000 0.967 1443 D CA 0.550 54.559 54.000 0.015 0.000 0.840 1443 D CB 0.118 40.943 40.800 0.042 0.000 0.972 1443 D HN 0.185 nan 8.370 nan 0.000 0.482 1444 E N 1.642 121.908 120.200 0.109 0.000 2.606 1444 E HA -0.094 4.242 4.350 -0.025 0.000 0.248 1444 E C -0.487 176.179 176.600 0.111 0.000 1.005 1444 E CA 0.339 56.839 56.400 0.166 0.000 0.946 1444 E CB 0.238 30.132 29.700 0.324 0.000 0.928 1444 E HN -0.152 nan 8.360 nan 0.000 0.494 1445 K N 5.060 125.516 120.400 0.094 0.000 2.244 1445 K HA 0.226 4.531 4.320 -0.025 0.000 0.263 1445 K C -1.039 175.623 176.600 0.103 0.000 1.103 1445 K CA -0.484 55.848 56.287 0.074 0.000 0.966 1445 K CB 0.522 33.055 32.500 0.055 0.000 1.429 1445 K HN 0.409 nan 8.250 nan 0.000 0.434 1446 c N 2.643 121.310 118.600 0.112 0.000 2.356 1446 c HA 0.494 5.049 4.570 -0.025 0.000 0.324 1446 c C -0.349 173.767 174.090 0.043 0.000 1.167 1446 c CA -0.125 56.267 56.329 0.105 0.000 1.420 1446 c CB 0.417 43.020 42.510 0.156 0.000 2.036 1446 c HN 0.810 nan 8.230 nan 0.000 0.435 1447 T N 5.649 120.209 114.554 0.009 0.000 2.952 1447 T HA 0.599 4.934 4.350 -0.025 0.000 0.305 1447 T C -1.428 173.196 174.700 -0.127 0.000 1.064 1447 T CA -0.411 61.630 62.100 -0.098 0.000 1.008 1447 T CB 0.813 69.588 68.868 -0.155 0.000 1.078 1447 T HN 0.698 nan 8.240 nan 0.000 0.459 1448 K N 3.157 123.444 120.400 -0.188 0.000 2.426 1448 K HA 0.564 4.869 4.320 -0.025 0.000 0.251 1448 K C -1.149 175.309 176.600 -0.237 0.000 0.941 1448 K CA -0.554 55.671 56.287 -0.104 0.000 0.808 1448 K CB 1.762 34.274 32.500 0.020 0.000 1.265 1448 K HN 0.506 nan 8.250 nan 0.000 0.432 1449 F N 1.189 121.194 119.950 0.093 0.000 2.450 1449 F HA 0.486 4.998 4.527 -0.025 0.000 0.328 1449 F C 0.300 176.191 175.800 0.152 0.000 1.068 1449 F CA -0.587 57.459 58.000 0.078 0.000 1.007 1449 F CB 0.936 39.941 39.000 0.009 0.000 1.251 1449 F HN 0.454 nan 8.300 nan 0.000 0.492 1450 Y N -0.991 119.418 120.300 0.182 0.000 2.562 1450 Y HA 0.705 5.240 4.550 -0.025 0.000 0.345 1450 Y C -1.404 174.564 175.900 0.113 0.000 1.045 1450 Y CA -1.097 57.056 58.100 0.088 0.000 1.028 1450 Y CB 1.628 40.078 38.460 -0.018 0.000 1.297 1450 Y HN 0.702 nan 8.280 nan 0.000 0.463 1451 H N 3.018 122.105 119.070 0.029 0.000 3.123 1451 H HA 0.221 4.762 4.556 -0.025 0.000 0.346 1451 H C -2.654 172.654 175.328 -0.033 0.000 1.138 1451 H CA -1.850 54.145 56.048 -0.088 0.000 1.273 1451 H CB 3.348 33.050 29.762 -0.100 0.000 1.926 1451 H HN 0.555 nan 8.280 nan 0.000 0.524 1452 P HA -0.067 nan 4.420 nan 0.000 0.222 1452 P C 0.210 177.503 177.300 -0.012 0.000 1.147 1452 P CA 1.078 64.051 63.100 -0.211 0.000 0.790 1452 P CB 0.567 32.067 31.700 -0.334 0.000 0.780 1453 D N -0.726 119.813 120.400 0.232 0.000 2.433 1453 D HA 0.126 4.751 4.640 -0.025 0.000 0.211 1453 D C 0.201 176.625 176.300 0.207 0.000 1.114 1453 D CA 0.315 54.464 54.000 0.247 0.000 0.837 1453 D CB 0.545 41.514 40.800 0.282 0.000 0.984 1453 D HN 0.286 nan 8.370 nan 0.000 0.505 1454 K N -0.418 120.118 120.400 0.228 0.000 2.507 1454 K HA 0.449 4.755 4.320 -0.025 0.000 0.251 1454 K C 1.023 177.679 176.600 0.095 0.000 0.943 1454 K CA -0.683 55.664 56.287 0.101 0.000 0.794 1454 K CB 2.461 34.971 32.500 0.017 0.000 1.188 1454 K HN -0.180 nan 8.250 nan 0.000 0.428 1455 G N 0.977 109.814 108.800 0.061 0.000 2.462 1455 G HA2 -0.243 3.703 3.960 -0.025 0.000 0.220 1455 G HA3 -0.243 3.703 3.960 -0.025 0.000 0.220 1455 G C 0.946 175.888 174.900 0.069 0.000 1.121 1455 G CA 1.644 46.777 45.100 0.055 0.000 0.758 1455 G HN 0.675 nan 8.290 nan 0.000 0.559 1456 T N -4.345 110.252 114.554 0.073 0.000 3.170 1456 T HA 0.451 4.786 4.350 -0.025 0.000 0.288 1456 T C 1.499 176.276 174.700 0.128 0.000 0.992 1456 T CA 0.733 62.891 62.100 0.097 0.000 0.909 1456 T CB 0.477 69.389 68.868 0.074 0.000 1.133 1456 T HN 1.282 nan 8.240 nan 0.000 0.530 1457 G N 1.840 110.708 108.800 0.113 0.000 2.168 1457 G HA2 -0.233 3.712 3.960 -0.025 0.000 0.257 1457 G HA3 -0.233 3.712 3.960 -0.025 0.000 0.257 1457 G C -0.076 174.796 174.900 -0.047 0.000 0.997 1457 G CA 0.297 45.459 45.100 0.103 0.000 0.708 1457 G HN 0.661 nan 8.290 nan 0.000 0.520 1458 L N 0.381 121.559 121.223 -0.075 0.000 2.292 1458 L HA 0.478 4.804 4.340 -0.025 0.000 0.284 1458 L C 1.335 178.119 176.870 -0.143 0.000 1.065 1458 L CA -1.039 53.709 54.840 -0.152 0.000 0.806 1458 L CB 1.090 43.093 42.059 -0.094 0.000 1.175 1458 L HN 0.026 nan 8.230 nan 0.000 0.431 1459 L N 2.995 124.119 121.223 -0.165 0.000 2.483 1459 L HA 0.019 4.344 4.340 -0.025 0.000 0.276 1459 L C 0.484 177.288 176.870 -0.109 0.000 1.213 1459 L CA 0.047 54.812 54.840 -0.124 0.000 0.843 1459 L CB 0.009 41.993 42.059 -0.124 0.000 1.107 1459 L HN 0.645 nan 8.230 nan 0.000 0.487 1460 N N 3.342 121.978 118.700 -0.108 0.000 2.438 1460 N HA 0.136 4.861 4.740 -0.025 0.000 0.267 1460 N C -0.711 174.756 175.510 -0.072 0.000 1.222 1460 N CA -0.110 52.891 53.050 -0.082 0.000 0.930 1460 N CB 0.501 38.942 38.487 -0.078 0.000 1.083 1460 N HN 0.480 nan 8.380 nan 0.000 0.476 1461 K N 1.460 121.828 120.400 -0.054 0.000 2.444 1461 K HA 0.609 4.915 4.320 -0.025 0.000 0.252 1461 K C -1.277 175.307 176.600 -0.027 0.000 0.993 1461 K CA -0.827 55.436 56.287 -0.041 0.000 0.847 1461 K CB 1.814 34.288 32.500 -0.043 0.000 1.340 1461 K HN 0.244 nan 8.250 nan 0.000 0.446 1462 I N 1.643 122.203 120.570 -0.018 0.000 2.439 1462 I HA 0.270 4.425 4.170 -0.025 0.000 0.285 1462 I C -1.026 175.083 176.117 -0.013 0.000 1.021 1462 I CA -0.873 60.419 61.300 -0.012 0.000 1.091 1462 I CB 1.772 39.771 38.000 -0.001 0.000 1.242 1462 I HN 0.630 nan 8.210 nan 0.000 0.439 1463 c N 6.870 125.460 118.600 -0.015 0.000 2.329 1463 c HA 0.575 5.131 4.570 -0.025 0.000 0.329 1463 c C 0.093 174.173 174.090 -0.017 0.000 1.275 1463 c CA -0.615 55.705 56.329 -0.015 0.000 1.726 1463 c CB 0.528 43.029 42.510 -0.014 0.000 2.291 1463 c HN 0.470 nan 8.230 nan 0.000 0.514 1464 I N 3.763 124.322 120.570 -0.019 0.000 2.337 1464 I HA 0.539 4.694 4.170 -0.025 0.000 0.285 1464 I C 1.048 177.154 176.117 -0.018 0.000 1.041 1464 I CA 1.280 62.566 61.300 -0.023 0.000 1.199 1464 I CB 0.238 38.219 38.000 -0.032 0.000 1.370 1464 I HN 1.070 nan 8.210 nan 0.000 0.470 1465 G N 5.692 114.483 108.800 -0.014 0.000 2.602 1465 G HA2 -0.368 3.577 3.960 -0.025 0.000 0.310 1465 G HA3 -0.368 3.577 3.960 -0.025 0.000 0.310 1465 G C 0.925 175.822 174.900 -0.006 0.000 1.183 1465 G CA 0.545 45.640 45.100 -0.009 0.000 0.979 1465 G HN 0.487 nan 8.290 nan 0.000 0.545 1466 N N 0.388 119.086 118.700 -0.003 0.000 2.236 1466 N HA 0.257 4.982 4.740 -0.025 0.000 0.196 1466 N C 0.357 175.865 175.510 -0.003 0.000 1.114 1466 N CA 0.747 53.797 53.050 -0.001 0.000 0.859 1466 N CB 0.756 39.246 38.487 0.005 0.000 0.982 1466 N HN 0.432 nan 8.380 nan 0.000 0.493 1467 V N 1.698 121.608 119.914 -0.007 0.000 2.368 1467 V HA 0.243 4.348 4.120 -0.025 0.000 0.266 1467 V C 0.262 176.350 176.094 -0.011 0.000 1.045 1467 V CA -0.759 61.536 62.300 -0.008 0.000 0.899 1467 V CB 0.660 32.477 31.823 -0.011 0.000 1.006 1467 V HN 0.088 nan 8.190 nan 0.000 0.470 1468 c N 6.145 124.739 118.600 -0.010 0.000 2.391 1468 c HA 0.734 5.290 4.570 -0.025 0.000 0.339 1468 c C 0.284 174.368 174.090 -0.011 0.000 1.205 1468 c CA -0.910 55.411 56.329 -0.012 0.000 1.937 1468 c CB 1.258 43.758 42.510 -0.016 0.000 2.341 1468 c HN 0.771 nan 8.230 nan 0.000 0.516 1469 R N 0.839 121.332 120.500 -0.011 0.000 2.686 1469 R HA 0.354 4.679 4.340 -0.025 0.000 0.286 1469 R C -0.858 175.433 176.300 -0.015 0.000 0.969 1469 R CA -0.407 55.689 56.100 -0.007 0.000 0.898 1469 R CB 1.522 31.824 30.300 0.004 0.000 1.183 1469 R HN 0.859 nan 8.270 nan 0.000 0.456 1470 C N 2.249 121.538 119.300 -0.019 0.000 2.651 1470 C HA 0.234 4.679 4.460 -0.025 0.000 0.410 1470 C C 1.730 176.703 174.990 -0.030 0.000 1.372 1470 C CA 0.143 59.141 59.018 -0.035 0.000 1.707 1470 C CB -0.707 27.008 27.740 -0.042 0.000 2.501 1470 C HN 0.847 nan 8.230 nan 0.000 0.598 1471 A N 4.463 127.258 122.820 -0.041 0.000 2.178 1471 A HA 0.528 4.833 4.320 -0.025 0.000 0.211 1471 A C 1.161 178.716 177.584 -0.048 0.000 1.157 1471 A CA 0.987 53.007 52.037 -0.029 0.000 0.780 1471 A CB -0.812 18.174 19.000 -0.024 0.000 0.828 1471 A HN 2.322 nan 8.150 nan 0.000 0.476 1472 G N -0.751 107.997 108.800 -0.087 0.000 2.705 1472 G HA2 -0.076 3.870 3.960 -0.025 0.000 0.686 1472 G HA3 -0.076 3.870 3.960 -0.025 0.000 0.686 1472 G C -0.122 174.674 174.900 -0.173 0.000 1.285 1472 G CA -0.050 44.976 45.100 -0.124 0.000 0.800 1472 G HN 0.106 nan 8.290 nan 0.000 0.611 1473 E N -0.643 119.389 120.200 -0.280 0.000 2.472 1473 E HA 0.108 4.443 4.350 -0.025 0.000 0.196 1473 E C 1.667 178.166 176.600 -0.169 0.000 1.033 1473 E CA 1.052 57.246 56.400 -0.343 0.000 0.886 1473 E CB 0.664 29.806 29.700 -0.931 0.000 0.944 1473 E HN 0.876 nan 8.360 nan 0.000 0.492 1474 T N -0.649 113.827 114.554 -0.128 0.000 2.907 1474 T HA 0.329 4.665 4.350 -0.025 0.000 0.284 1474 T C 0.049 174.725 174.700 -0.040 0.000 1.004 1474 T CA -0.621 61.445 62.100 -0.057 0.000 1.063 1474 T CB 1.142 69.981 68.868 -0.049 0.000 0.992 1474 T HN -0.079 nan 8.240 nan 0.000 0.483 1475 c N 3.401 121.988 118.600 -0.022 0.000 2.350 1475 c HA 0.698 5.253 4.570 -0.025 0.000 0.348 1475 c C 1.004 175.072 174.090 -0.037 0.000 1.260 1475 c CA -0.501 55.815 56.329 -0.021 0.000 1.966 1475 c CB 0.804 43.308 42.510 -0.010 0.000 2.380 1475 c HN 1.053 nan 8.230 nan 0.000 0.535 1476 S N 1.823 117.496 115.700 -0.045 0.000 2.601 1476 S HA 0.602 5.057 4.470 -0.025 0.000 0.271 1476 S C -0.016 174.523 174.600 -0.102 0.000 1.305 1476 S CA -0.334 57.819 58.200 -0.078 0.000 1.022 1476 S CB 0.478 63.629 63.200 -0.083 0.000 0.940 1476 S HN 0.968 nan 8.310 nan 0.000 0.525 1477 S N 4.587 120.202 115.700 -0.142 0.000 2.536 1477 S HA 0.452 4.907 4.470 -0.025 0.000 0.287 1477 S C -0.492 173.977 174.600 -0.218 0.000 1.101 1477 S CA -0.972 57.138 58.200 -0.149 0.000 0.950 1477 S CB 1.072 64.204 63.200 -0.113 0.000 1.056 1477 S HN 0.802 nan 8.310 nan 0.000 0.481 1478 L N 2.925 124.028 121.223 -0.201 0.000 2.678 1478 L HA 0.039 4.364 4.340 -0.025 0.000 0.285 1478 L C -0.242 176.495 176.870 -0.222 0.000 1.233 1478 L CA 0.932 55.645 54.840 -0.211 0.000 0.920 1478 L CB -0.944 41.047 42.059 -0.112 0.000 1.176 1478 L HN 0.890 nan 8.230 nan 0.000 0.495 1479 N N 4.256 122.741 118.700 -0.358 0.000 2.488 1479 N HA 0.202 4.927 4.740 -0.025 0.000 0.274 1479 N C -0.621 174.817 175.510 -0.121 0.000 1.111 1479 N CA -0.207 52.607 53.050 -0.394 0.000 0.974 1479 N CB 0.529 38.473 38.487 -0.906 0.000 1.089 1479 N HN 0.513 nan 8.380 nan 0.000 0.465 1480 H N 2.193 121.177 119.070 -0.144 0.000 2.600 1480 H HA 0.372 4.913 4.556 -0.025 0.000 0.357 1480 H C -1.449 173.854 175.328 -0.041 0.000 1.106 1480 H CA -0.438 55.576 56.048 -0.056 0.000 1.193 1480 H CB 1.399 31.139 29.762 -0.037 0.000 1.594 1480 H HN 0.548 nan 8.280 nan 0.000 0.526 1481 Q N 3.015 122.441 119.800 -0.624 0.000 2.295 1481 Q HA 0.097 4.423 4.340 -0.025 0.000 0.268 1481 Q C 0.258 175.977 176.000 -0.468 0.000 1.010 1481 Q CA -0.473 55.121 55.803 -0.348 0.000 0.856 1481 Q CB 1.901 30.525 28.738 -0.190 0.000 1.349 1481 Q HN 0.887 nan 8.270 nan 0.000 0.412 1482 E N 1.972 122.017 120.200 -0.258 0.000 2.230 1482 E HA 0.068 4.404 4.350 -0.025 0.000 0.192 1482 E C 0.032 176.547 176.600 -0.141 0.000 0.987 1482 E CA 0.455 56.750 56.400 -0.176 0.000 0.841 1482 E CB 0.604 30.267 29.700 -0.061 0.000 0.783 1482 E HN 0.188 nan 8.360 nan 0.000 0.481 1483 R N 0.590 121.007 120.500 -0.138 0.000 2.698 1483 R HA 0.494 4.820 4.340 -0.025 0.000 0.275 1483 R C -0.898 175.303 176.300 -0.165 0.000 1.001 1483 R CA -0.784 55.236 56.100 -0.133 0.000 0.896 1483 R CB 1.752 32.000 30.300 -0.088 0.000 1.218 1483 R HN 0.035 nan 8.270 nan 0.000 0.462 1484 I N 1.505 121.947 120.570 -0.212 0.000 2.321 1484 I HA 0.087 4.243 4.170 -0.025 0.000 0.291 1484 I C 0.329 176.361 176.117 -0.142 0.000 0.998 1484 I CA -0.634 60.526 61.300 -0.233 0.000 1.227 1484 I CB 1.312 39.055 38.000 -0.427 0.000 1.368 1484 I HN 0.307 nan 8.210 nan 0.000 0.466 1485 D N 6.709 127.052 120.400 -0.096 0.000 2.367 1485 D HA 0.032 4.657 4.640 -0.025 0.000 0.255 1485 D C 0.976 177.247 176.300 -0.050 0.000 1.300 1485 D CA 0.122 54.087 54.000 -0.059 0.000 0.959 1485 D CB 1.185 41.962 40.800 -0.038 0.000 1.064 1485 D HN 0.281 nan 8.370 nan 0.000 0.509 1486 V N 5.947 125.841 119.914 -0.033 0.000 2.358 1486 V HA -0.137 3.968 4.120 -0.025 0.000 0.246 1486 V C -0.714 175.400 176.094 0.034 0.000 1.047 1486 V CA 1.282 63.595 62.300 0.022 0.000 1.035 1486 V CB -1.160 30.689 31.823 0.042 0.000 0.658 1486 V HN 0.498 nan 8.190 nan 0.000 0.452 1487 P HA -0.146 nan 4.420 nan 0.000 0.215 1487 P C 1.931 179.210 177.300 -0.034 0.000 1.153 1487 P CA 1.186 64.269 63.100 -0.028 0.000 0.853 1487 P CB -0.054 31.624 31.700 -0.037 0.000 0.788 1488 L N -0.044 121.161 121.223 -0.031 0.000 2.027 1488 L HA -0.166 4.159 4.340 -0.025 0.000 0.206 1488 L C 2.452 179.290 176.870 -0.053 0.000 1.074 1488 L CA 1.985 56.802 54.840 -0.038 0.000 0.745 1488 L CB -1.632 40.412 42.059 -0.025 0.000 0.898 1488 L HN -0.153 nan 8.230 nan 0.000 0.433 1489 Q N -0.586 119.189 119.800 -0.040 0.000 2.112 1489 Q HA -0.214 4.111 4.340 -0.025 0.000 0.206 1489 Q C 2.063 178.071 176.000 0.013 0.000 0.987 1489 Q CA 2.182 57.953 55.803 -0.054 0.000 0.858 1489 Q CB -0.194 28.493 28.738 -0.084 0.000 0.905 1489 Q HN 0.552 nan 8.270 nan 0.000 0.420 1490 I N 0.640 121.243 120.570 0.055 0.000 2.179 1490 I HA -0.236 3.919 4.170 -0.025 0.000 0.242 1490 I C 2.015 178.025 176.117 -0.179 0.000 1.088 1490 I CA 1.616 62.877 61.300 -0.065 0.000 1.357 1490 I CB -1.145 36.791 38.000 -0.107 0.000 1.051 1490 I HN 0.402 nan 8.210 nan 0.000 0.409 1491 E N 0.773 120.886 120.200 -0.145 0.000 2.085 1491 E HA -0.238 4.098 4.350 -0.025 0.000 0.194 1491 E C 2.165 178.629 176.600 -0.227 0.000 0.994 1491 E CA 1.207 57.511 56.400 -0.159 0.000 0.801 1491 E CB -0.070 29.567 29.700 -0.105 0.000 0.743 1491 E HN 0.475 nan 8.360 nan 0.000 0.453 1492 K N 0.424 120.664 120.400 -0.265 0.000 2.057 1492 K HA -0.084 4.221 4.320 -0.025 0.000 0.207 1492 K C 2.118 178.278 176.600 -0.733 0.000 1.049 1492 K CA 1.076 57.154 56.287 -0.348 0.000 0.931 1492 K CB -0.088 32.260 32.500 -0.253 0.000 0.714 1492 K HN 0.039 nan 8.250 nan 0.000 0.440 1493 A N 0.207 122.429 122.820 -0.996 0.000 2.121 1493 A HA -0.115 4.190 4.320 -0.025 0.000 0.218 1493 A C 1.719 178.891 177.584 -0.687 0.000 1.154 1493 A CA 0.971 52.248 52.037 -1.267 0.000 0.679 1493 A CB -0.320 18.193 19.000 -0.812 0.000 0.795 1493 A HN 0.393 nan 8.150 nan 0.000 0.458 1494 c N 0.014 118.344 118.600 -0.450 0.000 2.778 1494 c HA 0.322 4.877 4.570 -0.025 0.000 0.294 1494 c C 0.677 174.633 174.090 -0.224 0.000 1.331 1494 c CA -0.764 55.390 56.329 -0.291 0.000 1.741 1494 c CB -1.522 40.855 42.510 -0.221 0.000 2.106 1494 c HN 0.573 nan 8.230 nan 0.000 0.603 1495 E N 0.618 120.670 120.200 -0.248 0.000 2.415 1495 E HA 0.018 4.353 4.350 -0.025 0.000 0.262 1495 E C 1.430 177.948 176.600 -0.138 0.000 1.038 1495 E CA 0.358 56.660 56.400 -0.163 0.000 0.921 1495 E CB 0.730 30.343 29.700 -0.144 0.000 0.950 1495 E HN 0.233 nan 8.360 nan 0.000 0.438 1496 T N 2.329 116.830 114.554 -0.089 0.000 2.881 1496 T HA -0.145 4.190 4.350 -0.025 0.000 0.270 1496 T C 1.165 175.832 174.700 -0.056 0.000 1.068 1496 T CA 1.623 63.683 62.100 -0.066 0.000 1.131 1496 T CB -0.270 68.573 68.868 -0.042 0.000 0.871 1496 T HN 0.565 nan 8.240 nan 0.000 0.479 1497 N N 0.858 119.527 118.700 -0.051 0.000 2.461 1497 N HA -0.003 4.723 4.740 -0.025 0.000 0.188 1497 N C 0.174 175.651 175.510 -0.054 0.000 1.134 1497 N CA 0.125 53.158 53.050 -0.029 0.000 0.878 1497 N CB -0.337 38.149 38.487 -0.002 0.000 0.972 1497 N HN 0.267 nan 8.380 nan 0.000 0.456 1498 V N 2.117 121.955 119.914 -0.126 0.000 2.372 1498 V HA 0.016 4.121 4.120 -0.025 0.000 0.261 1498 V C 1.032 177.015 176.094 -0.184 0.000 1.055 1498 V CA -0.243 61.932 62.300 -0.208 0.000 0.930 1498 V CB 0.611 32.183 31.823 -0.419 0.000 1.031 1498 V HN 0.117 nan 8.190 nan 0.000 0.479 1499 D N 4.007 124.311 120.400 -0.160 0.000 2.120 1499 D HA -0.019 4.606 4.640 -0.025 0.000 0.202 1499 D C 0.390 176.682 176.300 -0.012 0.000 0.972 1499 D CA 1.212 55.195 54.000 -0.029 0.000 0.837 1499 D CB 0.270 41.150 40.800 0.133 0.000 0.989 1499 D HN 0.650 nan 8.370 nan 0.000 0.469 1500 Y N -2.312 117.924 120.300 -0.106 0.000 2.609 1500 Y HA 0.660 5.196 4.550 -0.025 0.000 0.342 1500 Y C -1.421 174.344 175.900 -0.225 0.000 1.058 1500 Y CA -1.566 56.398 58.100 -0.226 0.000 1.055 1500 Y CB 1.334 39.505 38.460 -0.482 0.000 1.292 1500 Y HN -0.283 nan 8.280 nan 0.000 0.476 1501 V N 2.998 122.898 119.914 -0.024 0.000 2.482 1501 V HA 0.396 4.501 4.120 -0.025 0.000 0.295 1501 V C -1.457 174.834 176.094 0.327 0.000 1.026 1501 V CA -0.755 61.649 62.300 0.174 0.000 0.856 1501 V CB 0.676 32.651 31.823 0.253 0.000 1.001 1501 V HN 0.703 nan 8.190 nan 0.000 0.424 1502 Y N 2.083 122.662 120.300 0.465 0.000 2.549 1502 Y HA 0.598 5.133 4.550 -0.025 0.000 0.339 1502 Y C 0.189 176.255 175.900 0.277 0.000 1.053 1502 Y CA -1.953 56.327 58.100 0.300 0.000 1.105 1502 Y CB 1.714 40.292 38.460 0.196 0.000 1.258 1502 Y HN 0.488 nan 8.280 nan 0.000 0.478 1503 K N 1.612 122.184 120.400 0.288 0.000 2.213 1503 K HA 0.540 4.845 4.320 -0.025 0.000 0.270 1503 K C -0.662 175.921 176.600 -0.028 0.000 1.002 1503 K CA -0.296 56.000 56.287 0.015 0.000 0.868 1503 K CB 0.712 32.913 32.500 -0.498 0.000 1.093 1503 K HN 0.902 nan 8.250 nan 0.000 0.454 1504 T N 0.502 115.066 114.554 0.017 0.000 2.930 1504 T HA 0.425 4.761 4.350 -0.025 0.000 0.290 1504 T C -0.851 173.852 174.700 0.004 0.000 1.052 1504 T CA -0.975 61.136 62.100 0.017 0.000 1.017 1504 T CB 1.698 70.624 68.868 0.098 0.000 1.137 1504 T HN 0.546 nan 8.240 nan 0.000 0.511 1505 K N 0.985 121.398 120.400 0.021 0.000 2.259 1505 K HA 0.575 4.880 4.320 -0.025 0.000 0.252 1505 K C -1.250 175.429 176.600 0.132 0.000 0.936 1505 K CA -1.126 55.194 56.287 0.055 0.000 0.810 1505 K CB 1.625 34.130 32.500 0.008 0.000 1.143 1505 K HN 0.567 nan 8.250 nan 0.000 0.427 1506 L N 5.911 127.257 121.223 0.206 0.000 2.295 1506 L HA 0.131 4.456 4.340 -0.025 0.000 0.288 1506 L C 0.125 177.084 176.870 0.149 0.000 1.079 1506 L CA -0.073 54.886 54.840 0.199 0.000 0.830 1506 L CB 0.500 42.712 42.059 0.255 0.000 1.200 1506 L HN 0.821 nan 8.230 nan 0.000 0.438 1507 L N 4.668 125.966 121.223 0.124 0.000 2.068 1507 L HA 0.221 4.546 4.340 -0.025 0.000 0.204 1507 L C 1.056 177.978 176.870 0.088 0.000 1.076 1507 L CA 1.249 56.144 54.840 0.091 0.000 0.753 1507 L CB -0.610 41.495 42.059 0.076 0.000 0.910 1507 L HN 0.660 nan 8.230 nan 0.000 0.439 1508 R N -1.688 118.872 120.500 0.100 0.000 2.739 1508 R HA 0.563 4.889 4.340 -0.025 0.000 0.271 1508 R C -1.249 175.103 176.300 0.087 0.000 1.010 1508 R CA -0.702 55.445 56.100 0.079 0.000 0.897 1508 R CB 2.037 32.367 30.300 0.050 0.000 1.236 1508 R HN -0.146 nan 8.270 nan 0.000 0.466 1509 I N 1.707 122.306 120.570 0.050 0.000 2.382 1509 I HA 0.309 4.465 4.170 -0.025 0.000 0.286 1509 I C -0.282 175.797 176.117 -0.064 0.000 1.002 1509 I CA -0.416 60.870 61.300 -0.023 0.000 1.135 1509 I CB 1.818 39.812 38.000 -0.010 0.000 1.288 1509 I HN 0.436 nan 8.210 nan 0.000 0.448 1510 E N 5.141 125.278 120.200 -0.105 0.000 2.235 1510 E HA 0.528 4.864 4.350 -0.025 0.000 0.265 1510 E C -1.001 175.529 176.600 -0.116 0.000 0.940 1510 E CA -0.822 55.530 56.400 -0.081 0.000 0.819 1510 E CB 2.259 31.930 29.700 -0.049 0.000 1.206 1510 E HN 0.487 nan 8.360 nan 0.000 0.409 1511 E N 1.011 121.164 120.200 -0.079 0.000 2.256 1511 E HA 0.342 4.678 4.350 -0.025 0.000 0.267 1511 E C -1.392 175.176 176.600 -0.053 0.000 0.892 1511 E CA -0.806 55.548 56.400 -0.077 0.000 0.775 1511 E CB 1.978 31.641 29.700 -0.061 0.000 1.207 1511 E HN 0.344 nan 8.360 nan 0.000 0.420 1512 Q N 0.863 120.634 119.800 -0.049 0.000 2.507 1512 Q HA 0.229 4.554 4.340 -0.025 0.000 0.242 1512 Q C -1.547 174.435 176.000 -0.029 0.000 0.911 1512 Q CA -0.690 55.092 55.803 -0.034 0.000 1.019 1512 Q CB 0.768 29.487 28.738 -0.032 0.000 1.523 1512 Q HN 0.403 nan 8.270 nan 0.000 0.459 1513 D N 2.218 122.605 120.400 -0.022 0.000 2.800 1513 D HA -0.170 4.455 4.640 -0.025 0.000 0.232 1513 D C 0.845 177.134 176.300 -0.019 0.000 1.137 1513 D CA 2.155 56.144 54.000 -0.018 0.000 0.718 1513 D CB -1.529 39.261 40.800 -0.017 0.000 1.084 1513 D HN 1.736 nan 8.370 nan 0.000 0.432 1514 G N -0.870 107.917 108.800 -0.021 0.000 2.148 1514 G HA2 -0.337 3.608 3.960 -0.025 0.000 0.254 1514 G HA3 -0.337 3.608 3.960 -0.025 0.000 0.254 1514 G C 0.057 174.942 174.900 -0.024 0.000 0.981 1514 G CA 0.343 45.431 45.100 -0.019 0.000 0.670 1514 G HN 0.486 nan 8.290 nan 0.000 0.528 1515 N N 0.915 119.595 118.700 -0.034 0.000 2.370 1515 N HA 0.460 5.185 4.740 -0.025 0.000 0.303 1515 N C -1.098 174.359 175.510 -0.087 0.000 1.103 1515 N CA -0.605 52.420 53.050 -0.043 0.000 0.848 1515 N CB 1.344 39.813 38.487 -0.030 0.000 1.235 1515 N HN 0.124 nan 8.380 nan 0.000 0.496 1516 D N 1.184 121.503 120.400 -0.135 0.000 2.225 1516 D HA 0.284 4.910 4.640 -0.025 0.000 0.248 1516 D C 0.187 176.287 176.300 -0.334 0.000 1.096 1516 D CA -0.058 53.750 54.000 -0.320 0.000 0.863 1516 D CB 1.635 42.096 40.800 -0.564 0.000 1.156 1516 D HN 0.282 nan 8.370 nan 0.000 0.450 1517 I N 2.978 123.366 120.570 -0.303 0.000 2.330 1517 I HA 0.122 4.277 4.170 -0.025 0.000 0.286 1517 I C -0.514 175.482 176.117 -0.202 0.000 1.025 1517 I CA -0.623 60.579 61.300 -0.163 0.000 1.197 1517 I CB -0.005 37.954 38.000 -0.069 0.000 1.358 1517 I HN 0.156 nan 8.210 nan 0.000 0.467 1518 Y N 5.239 125.598 120.300 0.099 0.000 2.477 1518 Y HA 0.243 4.778 4.550 -0.025 0.000 0.349 1518 Y C 0.546 176.539 175.900 0.155 0.000 0.977 1518 Y CA -0.589 57.571 58.100 0.099 0.000 1.214 1518 Y CB 0.898 39.399 38.460 0.068 0.000 1.124 1518 Y HN 0.235 nan 8.280 nan 0.000 0.521 1519 V N 5.924 125.975 119.914 0.229 0.000 2.405 1519 V HA 0.158 4.263 4.120 -0.025 0.000 0.264 1519 V C 0.164 176.388 176.094 0.217 0.000 1.048 1519 V CA -0.354 62.066 62.300 0.200 0.000 0.966 1519 V CB 0.059 31.953 31.823 0.119 0.000 1.015 1519 V HN 0.647 nan 8.190 nan 0.000 0.477 1520 M N 3.986 123.753 119.600 0.278 0.000 2.268 1520 M HA 0.419 4.884 4.480 -0.025 0.000 0.344 1520 M C -0.355 176.046 176.300 0.169 0.000 1.106 1520 M CA -0.435 55.008 55.300 0.238 0.000 1.010 1520 M CB 1.510 34.308 32.600 0.329 0.000 1.649 1520 M HN 0.537 nan 8.290 nan 0.000 0.443 1521 D N 2.669 123.123 120.400 0.089 0.000 2.198 1521 D HA 0.305 4.930 4.640 -0.025 0.000 0.245 1521 D C -1.036 175.229 176.300 -0.058 0.000 1.079 1521 D CA -0.338 53.675 54.000 0.021 0.000 0.854 1521 D CB 1.699 42.505 40.800 0.011 0.000 1.148 1521 D HN 0.274 nan 8.370 nan 0.000 0.456 1522 V N 5.888 125.698 119.914 -0.174 0.000 2.405 1522 V HA 0.007 4.113 4.120 -0.025 0.000 0.264 1522 V C 1.214 177.187 176.094 -0.201 0.000 1.048 1522 V CA -0.338 61.785 62.300 -0.296 0.000 0.966 1522 V CB 1.129 32.560 31.823 -0.654 0.000 1.015 1522 V HN 0.525 nan 8.190 nan 0.000 0.477 1523 L N 4.128 125.255 121.223 -0.159 0.000 2.168 1523 L HA 0.299 4.624 4.340 -0.025 0.000 0.203 1523 L C 0.932 177.725 176.870 -0.129 0.000 1.078 1523 L CA 1.162 55.916 54.840 -0.143 0.000 0.780 1523 L CB -0.295 41.657 42.059 -0.180 0.000 0.939 1523 L HN 0.655 nan 8.230 nan 0.000 0.451 1524 E N -1.395 118.737 120.200 -0.113 0.000 2.290 1524 E HA 0.379 4.714 4.350 -0.025 0.000 0.274 1524 E C -1.341 175.297 176.600 0.064 0.000 0.889 1524 E CA -0.489 55.886 56.400 -0.041 0.000 0.760 1524 E CB 2.869 32.540 29.700 -0.048 0.000 1.206 1524 E HN -0.305 nan 8.360 nan 0.000 0.419 1525 V N 4.991 124.962 119.914 0.094 0.000 2.372 1525 V HA 0.062 4.167 4.120 -0.025 0.000 0.261 1525 V C 1.141 177.372 176.094 0.228 0.000 1.055 1525 V CA -0.150 62.302 62.300 0.253 0.000 0.930 1525 V CB 0.082 32.020 31.823 0.192 0.000 1.031 1525 V HN 0.737 nan 8.190 nan 0.000 0.479 1526 I N 2.660 123.406 120.570 0.294 0.000 2.400 1526 I HA 0.108 4.264 4.170 -0.025 0.000 0.248 1526 I C 1.141 177.328 176.117 0.118 0.000 1.109 1526 I CA 1.162 62.591 61.300 0.215 0.000 1.425 1526 I CB -0.291 37.900 38.000 0.320 0.000 1.094 1526 I HN 0.516 nan 8.210 nan 0.000 0.425 1527 K N 1.696 122.183 120.400 0.145 0.000 2.579 1527 K HA 0.224 4.530 4.320 -0.025 0.000 0.250 1527 K C -0.428 176.253 176.600 0.134 0.000 0.952 1527 K CA -0.578 55.751 56.287 0.070 0.000 0.857 1527 K CB 1.560 34.050 32.500 -0.017 0.000 1.123 1527 K HN -0.136 nan 8.250 nan 0.000 0.433 1528 Q N 2.282 122.158 119.800 0.126 0.000 2.300 1528 Q HA 0.209 4.534 4.340 -0.025 0.000 0.280 1528 Q C -0.174 175.920 176.000 0.157 0.000 1.033 1528 Q CA 0.721 56.625 55.803 0.168 0.000 0.903 1528 Q CB 1.025 29.830 28.738 0.112 0.000 1.195 1528 Q HN 0.754 nan 8.270 nan 0.000 0.386 1529 G N 1.591 110.529 108.800 0.229 0.000 3.008 1529 G HA2 0.209 4.154 3.960 -0.025 0.000 0.181 1529 G HA3 0.209 4.154 3.960 -0.025 0.000 0.181 1529 G C 0.195 175.209 174.900 0.190 0.000 1.309 1529 G CA 0.110 45.341 45.100 0.219 0.000 1.009 1529 G HN 0.620 nan 8.290 nan 0.000 0.584 1530 T N 0.236 114.913 114.554 0.205 0.000 2.857 1530 T HA 0.000 4.335 4.350 -0.025 0.000 0.266 1530 T C 0.769 175.560 174.700 0.151 0.000 1.048 1530 T CA 1.010 63.204 62.100 0.156 0.000 1.139 1530 T CB -0.171 68.787 68.868 0.151 0.000 0.874 1530 T HN 0.411 nan 8.240 nan 0.000 0.455 1531 D N 1.714 122.233 120.400 0.198 0.000 2.382 1531 D HA 0.026 4.651 4.640 -0.025 0.000 0.259 1531 D C 0.916 177.306 176.300 0.149 0.000 1.224 1531 D CA 0.207 54.310 54.000 0.171 0.000 0.894 1531 D CB 0.742 41.681 40.800 0.232 0.000 1.127 1531 D HN 0.296 nan 8.370 nan 0.000 0.487 1532 E N 2.424 122.683 120.200 0.097 0.000 2.216 1532 E HA -0.103 4.232 4.350 -0.025 0.000 0.192 1532 E C 0.288 176.927 176.600 0.065 0.000 0.988 1532 E CA 0.357 56.804 56.400 0.078 0.000 0.834 1532 E CB 0.271 30.002 29.700 0.053 0.000 0.772 1532 E HN 0.246 nan 8.360 nan 0.000 0.479 1533 N N -0.201 118.534 118.700 0.059 0.000 2.703 1533 N HA 0.084 4.809 4.740 -0.025 0.000 0.283 1533 N C -2.180 173.353 175.510 0.038 0.000 1.851 1533 N CA -1.590 51.482 53.050 0.036 0.000 0.826 1533 N CB 0.807 39.308 38.487 0.023 0.000 1.239 1533 N HN -0.108 nan 8.380 nan 0.000 0.495 1534 P HA -0.105 nan 4.420 nan 0.000 0.218 1534 P C 0.952 178.216 177.300 -0.061 0.000 1.149 1534 P CA 0.856 63.968 63.100 0.021 0.000 0.817 1534 P CB 0.515 32.042 31.700 -0.287 0.000 0.785 1535 R N -0.153 120.274 120.500 -0.122 0.000 2.237 1535 R HA 0.030 4.356 4.340 -0.025 0.000 0.219 1535 R C 2.334 178.614 176.300 -0.034 0.000 1.080 1535 R CA 1.075 57.110 56.100 -0.108 0.000 0.995 1535 R CB -0.696 29.546 30.300 -0.097 0.000 0.875 1535 R HN 0.173 nan 8.270 nan 0.000 0.462 1536 A N 0.956 123.775 122.820 -0.002 0.000 1.929 1536 A HA -0.038 4.267 4.320 -0.025 0.000 0.216 1536 A C 0.761 178.359 177.584 0.023 0.000 1.176 1536 A CA 1.079 53.121 52.037 0.008 0.000 0.628 1536 A CB 0.205 19.209 19.000 0.008 0.000 0.816 1536 A HN -0.057 nan 8.150 nan 0.000 0.444 1537 K N 0.551 120.985 120.400 0.057 0.000 2.318 1537 K HA 0.429 4.734 4.320 -0.025 0.000 0.249 1537 K C -0.536 176.154 176.600 0.150 0.000 0.942 1537 K CA -0.380 55.940 56.287 0.055 0.000 0.808 1537 K CB 1.429 33.925 32.500 -0.006 0.000 1.189 1537 K HN 0.314 nan 8.250 nan 0.000 0.428 1538 T N 0.089 114.707 114.554 0.107 0.000 2.918 1538 T HA 0.282 4.618 4.350 -0.025 0.000 0.302 1538 T C -0.059 174.750 174.700 0.181 0.000 1.045 1538 T CA -0.297 61.909 62.100 0.177 0.000 1.114 1538 T CB 0.262 69.189 68.868 0.098 0.000 0.965 1538 T HN 0.305 nan 8.240 nan 0.000 0.540 1539 H N 1.042 120.148 119.070 0.060 0.000 2.511 1539 H HA 0.383 4.925 4.556 -0.024 0.000 0.328 1539 H C -0.060 175.332 175.328 0.106 0.000 1.044 1539 H CA -0.538 55.552 56.048 0.071 0.000 1.212 1539 H CB 1.030 30.897 29.762 0.175 0.000 1.428 1539 H HN 0.584 nan 8.280 nan 0.000 0.483 1540 Q N 2.879 122.713 119.800 0.057 0.000 2.278 1540 Q HA 0.277 4.602 4.340 -0.025 0.000 0.257 1540 Q C -0.859 175.161 176.000 0.033 0.000 0.928 1540 Q CA -0.483 55.372 55.803 0.088 0.000 0.932 1540 Q CB 1.484 30.229 28.738 0.010 0.000 1.221 1540 Q HN 0.597 nan 8.270 nan 0.000 0.434 1541 Y N 2.456 122.898 120.300 0.236 0.000 2.342 1541 Y HA 0.391 4.926 4.550 -0.024 0.000 0.338 1541 Y C -0.069 175.986 175.900 0.258 0.000 0.965 1541 Y CA -0.554 57.708 58.100 0.269 0.000 1.159 1541 Y CB 0.957 39.570 38.460 0.255 0.000 1.157 1541 Y HN 0.450 nan 8.280 nan 0.000 0.486 1542 I N 2.790 123.531 120.570 0.285 0.000 2.359 1542 I HA 0.436 4.591 4.170 -0.025 0.000 0.294 1542 I C -0.018 176.212 176.117 0.188 0.000 0.987 1542 I CA -0.353 61.050 61.300 0.172 0.000 1.225 1542 I CB 1.648 39.694 38.000 0.076 0.000 1.366 1542 I HN 0.468 nan 8.210 nan 0.000 0.466 1543 S N 4.389 120.183 115.700 0.157 0.000 2.627 1543 S HA 0.441 4.897 4.470 -0.025 0.000 0.283 1543 S C -1.072 173.569 174.600 0.067 0.000 1.127 1543 S CA -0.789 57.500 58.200 0.149 0.000 0.863 1543 S CB 1.710 65.075 63.200 0.276 0.000 1.121 1543 S HN 0.610 nan 8.310 nan 0.000 0.479 1544 Q N 1.598 121.428 119.800 0.051 0.000 2.340 1544 Q HA 0.439 4.765 4.340 -0.025 0.000 0.249 1544 Q C 0.636 176.653 176.000 0.029 0.000 0.957 1544 Q CA -0.540 55.276 55.803 0.021 0.000 0.882 1544 Q CB 0.676 29.418 28.738 0.007 0.000 1.235 1544 Q HN 0.564 nan 8.270 nan 0.000 0.439 1545 R N 1.088 121.594 120.500 0.010 0.000 2.241 1545 R HA -0.151 4.174 4.340 -0.025 0.000 0.224 1545 R C 1.858 178.174 176.300 0.027 0.000 1.101 1545 R CA 1.238 57.346 56.100 0.014 0.000 0.995 1545 R CB -0.086 30.213 30.300 -0.002 0.000 0.870 1545 R HN 0.671 nan 8.270 nan 0.000 0.463 1546 K N 0.373 120.788 120.400 0.024 0.000 2.209 1546 K HA -0.146 4.159 4.320 -0.025 0.000 0.204 1546 K C 1.098 177.716 176.600 0.031 0.000 1.048 1546 K CA 1.271 57.574 56.287 0.026 0.000 0.940 1546 K CB 0.064 32.577 32.500 0.022 0.000 0.729 1546 K HN 0.222 nan 8.250 nan 0.000 0.451 1547 c N 1.201 119.825 118.600 0.040 0.000 2.696 1547 c HA 0.157 4.713 4.570 -0.025 0.000 0.264 1547 c C 2.142 176.268 174.090 0.060 0.000 1.288 1547 c CA -0.612 55.742 56.329 0.040 0.000 1.717 1547 c CB -0.224 42.310 42.510 0.040 0.000 1.893 1547 c HN 0.507 nan 8.230 nan 0.000 0.577 1548 Q N 1.538 121.389 119.800 0.085 0.000 1.991 1548 Q HA -0.321 4.004 4.340 -0.025 0.000 0.213 1548 Q C 2.075 178.115 176.000 0.068 0.000 1.022 1548 Q CA 2.319 58.188 55.803 0.110 0.000 0.877 1548 Q CB -0.536 28.248 28.738 0.076 0.000 0.970 1548 Q HN 0.789 nan 8.270 nan 0.000 0.414 1549 E N -0.396 119.828 120.200 0.041 0.000 2.070 1549 E HA -0.196 4.140 4.350 -0.025 0.000 0.197 1549 E C 1.815 178.418 176.600 0.004 0.000 1.004 1549 E CA 1.236 57.650 56.400 0.023 0.000 0.805 1549 E CB -0.079 29.631 29.700 0.018 0.000 0.744 1549 E HN 0.370 nan 8.360 nan 0.000 0.451 1550 A N 0.531 123.348 122.820 -0.004 0.000 1.968 1550 A HA -0.043 4.262 4.320 -0.025 0.000 0.217 1550 A C 2.138 179.687 177.584 -0.057 0.000 1.169 1550 A CA 0.686 52.706 52.037 -0.028 0.000 0.638 1550 A CB -0.334 18.649 19.000 -0.028 0.000 0.812 1550 A HN 0.304 nan 8.150 nan 0.000 0.446 1551 L N -1.402 119.783 121.223 -0.062 0.000 2.179 1551 L HA -0.063 4.263 4.340 -0.025 0.000 0.208 1551 L C 0.956 177.747 176.870 -0.132 0.000 1.096 1551 L CA 0.704 55.460 54.840 -0.140 0.000 0.779 1551 L CB -0.457 41.484 42.059 -0.197 0.000 0.922 1551 L HN 0.529 nan 8.230 nan 0.000 0.443 1552 N N 0.860 119.527 118.700 -0.054 0.000 2.699 1552 N HA -0.212 4.513 4.740 -0.025 0.000 0.256 1552 N C -0.634 174.874 175.510 -0.003 0.000 0.993 1552 N CA 0.411 53.455 53.050 -0.010 0.000 0.759 1552 N CB -1.121 37.364 38.487 -0.004 0.000 0.906 1552 N HN 0.211 nan 8.380 nan 0.000 0.541 1553 L N -0.147 121.043 121.223 -0.055 0.000 2.375 1553 L HA 0.395 4.720 4.340 -0.025 0.000 0.271 1553 L C 0.684 177.627 176.870 0.121 0.000 1.107 1553 L CA -0.562 54.247 54.840 -0.052 0.000 0.806 1553 L CB 1.050 42.858 42.059 -0.419 0.000 1.146 1553 L HN 0.073 nan 8.230 nan 0.000 0.447 1554 K N 1.329 121.873 120.400 0.240 0.000 2.323 1554 K HA 0.395 4.700 4.320 -0.025 0.000 0.259 1554 K C -0.881 175.843 176.600 0.207 0.000 0.947 1554 K CA -0.544 55.857 56.287 0.190 0.000 0.819 1554 K CB 2.085 34.678 32.500 0.155 0.000 1.109 1554 K HN 0.190 nan 8.250 nan 0.000 0.429 1555 V N 4.915 124.922 119.914 0.156 0.000 2.694 1555 V HA -0.087 4.018 4.120 -0.025 0.000 0.306 1555 V C 0.567 176.734 176.094 0.123 0.000 1.054 1555 V CA 0.684 63.068 62.300 0.140 0.000 1.161 1555 V CB 0.172 32.056 31.823 0.101 0.000 0.916 1555 V HN 0.925 nan 8.190 nan 0.000 0.490 1556 N N 1.484 120.259 118.700 0.125 0.000 2.965 1556 N HA -0.144 4.581 4.740 -0.025 0.000 0.232 1556 N C 0.108 175.710 175.510 0.154 0.000 0.913 1556 N CA 1.235 54.348 53.050 0.104 0.000 0.981 1556 N CB -0.873 37.645 38.487 0.052 0.000 1.077 1556 N HN 0.784 nan 8.380 nan 0.000 0.589 1557 D N 1.482 121.960 120.400 0.130 0.000 2.362 1557 D HA 0.232 4.857 4.640 -0.025 0.000 0.242 1557 D C 0.131 176.246 176.300 -0.308 0.000 1.132 1557 D CA 0.337 54.287 54.000 -0.083 0.000 0.907 1557 D CB 0.517 41.187 40.800 -0.216 0.000 1.195 1557 D HN 0.016 nan 8.370 nan 0.000 0.429 1558 D N 0.317 120.340 120.400 -0.627 0.000 2.193 1558 D HA 0.355 4.980 4.640 -0.025 0.000 0.249 1558 D C -0.604 175.236 176.300 -0.766 0.000 1.034 1558 D CA -0.059 53.627 54.000 -0.523 0.000 0.902 1558 D CB 0.709 41.218 40.800 -0.485 0.000 1.182 1558 D HN 0.238 nan 8.370 nan 0.000 0.436 1559 Y N -0.030 120.238 120.300 -0.053 0.000 2.492 1559 Y HA 0.317 4.852 4.550 -0.024 0.000 0.346 1559 Y C -0.383 175.630 175.900 0.188 0.000 0.997 1559 Y CA -1.275 56.847 58.100 0.037 0.000 1.025 1559 Y CB 1.627 40.061 38.460 -0.043 0.000 1.263 1559 Y HN 0.143 nan 8.280 nan 0.000 0.454 1560 L N 4.872 126.384 121.223 0.480 0.000 2.315 1560 L HA 0.572 4.897 4.340 -0.025 0.000 0.283 1560 L C -1.141 175.931 176.870 0.337 0.000 1.089 1560 L CA 0.060 55.227 54.840 0.545 0.000 0.833 1560 L CB -0.339 42.063 42.059 0.572 0.000 1.170 1560 L HN 0.488 nan 8.230 nan 0.000 0.442 1561 I N 5.620 126.376 120.570 0.309 0.000 2.498 1561 I HA 0.439 4.594 4.170 -0.025 0.000 0.290 1561 I C -1.208 175.058 176.117 0.248 0.000 1.032 1561 I CA -0.578 60.819 61.300 0.162 0.000 1.073 1561 I CB 1.454 39.495 38.000 0.068 0.000 1.251 1561 I HN 0.789 nan 8.210 nan 0.000 0.426 1562 W N 5.292 126.629 121.300 0.062 0.000 3.031 1562 W HA 0.949 5.594 4.660 -0.025 0.000 0.337 1562 W C -0.578 175.709 176.519 -0.386 0.000 1.187 1562 W CA -1.325 55.843 57.345 -0.293 0.000 1.166 1562 W CB 0.864 30.182 29.460 -0.236 0.000 1.437 1562 W HN 0.667 nan 8.180 nan 0.000 0.551 1563 G N 0.104 108.624 108.800 -0.466 0.000 2.489 1563 G HA2 0.471 4.416 3.960 -0.025 0.000 0.305 1563 G HA3 0.471 4.416 3.960 -0.025 0.000 0.305 1563 G C -1.695 173.039 174.900 -0.277 0.000 1.311 1563 G CA -0.503 44.468 45.100 -0.216 0.000 0.813 1563 G HN 0.834 nan 8.290 nan 0.000 0.480 1564 S N -1.250 114.439 115.700 -0.019 0.000 2.578 1564 S HA 0.464 4.919 4.470 -0.025 0.000 0.283 1564 S C 1.399 176.119 174.600 0.200 0.000 1.195 1564 S CA -0.344 57.892 58.200 0.061 0.000 1.050 1564 S CB 1.739 64.990 63.200 0.086 0.000 1.012 1564 S HN 0.699 nan 8.310 nan 0.000 0.511 1565 R N 2.520 123.144 120.500 0.208 0.000 2.152 1565 R HA 0.035 4.360 4.340 -0.025 0.000 0.232 1565 R C 2.020 178.461 176.300 0.234 0.000 1.117 1565 R CA 1.936 58.205 56.100 0.282 0.000 0.981 1565 R CB -1.064 29.352 30.300 0.194 0.000 0.870 1565 R HN 0.647 nan 8.270 nan 0.000 0.451 1566 S N 0.672 116.473 115.700 0.168 0.000 2.419 1566 S HA -0.109 4.346 4.470 -0.025 0.000 0.235 1566 S C 0.612 175.304 174.600 0.152 0.000 1.019 1566 S CA 1.488 59.765 58.200 0.129 0.000 0.982 1566 S CB -0.157 63.102 63.200 0.098 0.000 0.789 1566 S HN 0.412 nan 8.310 nan 0.000 0.490 1567 D N 0.536 121.081 120.400 0.242 0.000 2.340 1567 D HA 0.177 4.803 4.640 -0.025 0.000 0.217 1567 D C 0.130 176.603 176.300 0.288 0.000 1.081 1567 D CA -0.103 54.056 54.000 0.266 0.000 0.842 1567 D CB -0.147 40.827 40.800 0.291 0.000 0.934 1567 D HN 0.242 nan 8.370 nan 0.000 0.511 1568 L N 1.339 122.681 121.223 0.199 0.000 2.499 1568 L HA 0.061 4.386 4.340 -0.025 0.000 0.273 1568 L C -0.274 176.519 176.870 -0.128 0.000 1.195 1568 L CA 0.323 55.060 54.840 -0.171 0.000 0.882 1568 L CB 0.346 42.319 42.059 -0.143 0.000 1.133 1568 L HN -0.132 nan 8.230 nan 0.000 0.483 1569 L N 7.188 128.285 121.223 -0.211 0.000 2.334 1569 L HA 0.456 4.781 4.340 -0.025 0.000 0.275 1569 L C -1.507 175.282 176.870 -0.135 0.000 1.036 1569 L CA -1.687 53.077 54.840 -0.128 0.000 0.807 1569 L CB 1.359 43.354 42.059 -0.107 0.000 1.231 1569 L HN 0.561 nan 8.230 nan 0.000 0.438 1570 P HA -0.024 nan 4.420 nan 0.000 0.269 1570 P C 0.158 177.413 177.300 -0.075 0.000 1.601 1570 P CA 0.012 63.068 63.100 -0.073 0.000 0.831 1570 P CB -0.349 31.324 31.700 -0.046 0.000 1.688 1571 T N 0.592 115.086 114.554 -0.100 0.000 2.779 1571 T HA 0.071 4.406 4.350 -0.025 0.000 0.296 1571 T C 0.193 174.840 174.700 -0.089 0.000 0.938 1571 T CA -0.490 61.556 62.100 -0.090 0.000 1.119 1571 T CB 0.053 68.859 68.868 -0.104 0.000 0.891 1571 T HN 0.040 nan 8.240 nan 0.000 0.526 1572 K N 4.380 124.741 120.400 -0.065 0.000 2.416 1572 K HA 0.024 4.329 4.320 -0.025 0.000 0.283 1572 K C -0.185 176.378 176.600 -0.061 0.000 1.037 1572 K CA 0.062 56.314 56.287 -0.058 0.000 0.995 1572 K CB 0.222 32.697 32.500 -0.041 0.000 0.938 1572 K HN 0.750 nan 8.250 nan 0.000 0.475 1573 D N 2.244 122.605 120.400 -0.065 0.000 2.981 1573 D HA -0.163 4.463 4.640 -0.025 0.000 0.223 1573 D C -1.015 175.241 176.300 -0.073 0.000 1.151 1573 D CA 1.172 55.136 54.000 -0.060 0.000 0.827 1573 D CB -0.758 40.016 40.800 -0.043 0.000 1.101 1573 D HN 0.661 nan 8.370 nan 0.000 0.426 1574 K N -0.332 120.006 120.400 -0.103 0.000 2.551 1574 K HA 0.505 4.810 4.320 -0.025 0.000 0.269 1574 K C -0.466 176.009 176.600 -0.208 0.000 0.949 1574 K CA -0.931 55.278 56.287 -0.131 0.000 0.849 1574 K CB 2.164 34.601 32.500 -0.104 0.000 1.411 1574 K HN -0.152 nan 8.250 nan 0.000 0.432 1575 I N 2.137 122.523 120.570 -0.307 0.000 2.315 1575 I HA 0.239 4.394 4.170 -0.025 0.000 0.291 1575 I C -0.393 175.459 176.117 -0.442 0.000 1.006 1575 I CA -0.217 60.804 61.300 -0.465 0.000 1.265 1575 I CB 1.077 38.617 38.000 -0.767 0.000 1.387 1575 I HN 0.513 nan 8.210 nan 0.000 0.475 1576 S N 6.183 121.601 115.700 -0.470 0.000 2.538 1576 S HA 0.675 5.131 4.470 -0.025 0.000 0.288 1576 S C -1.056 173.228 174.600 -0.526 0.000 1.108 1576 S CA -0.601 57.374 58.200 -0.375 0.000 0.971 1576 S CB 1.748 64.825 63.200 -0.205 0.000 1.041 1576 S HN 0.343 nan 8.310 nan 0.000 0.483 1577 Y N 1.000 121.133 120.300 -0.278 0.000 2.485 1577 Y HA 0.575 5.110 4.550 -0.024 0.000 0.345 1577 Y C 0.142 176.029 175.900 -0.022 0.000 0.998 1577 Y CA -1.097 56.912 58.100 -0.151 0.000 1.059 1577 Y CB 0.992 39.339 38.460 -0.189 0.000 1.234 1577 Y HN 0.497 nan 8.280 nan 0.000 0.461 1578 I N 3.726 124.427 120.570 0.219 0.000 2.395 1578 I HA 0.215 4.370 4.170 -0.025 0.000 0.289 1578 I C -0.301 175.962 176.117 0.244 0.000 1.023 1578 I CA -0.253 61.158 61.300 0.184 0.000 1.350 1578 I CB 0.602 38.676 38.000 0.123 0.000 1.409 1578 I HN 0.386 nan 8.210 nan 0.000 0.507 1579 I N 6.247 126.959 120.570 0.237 0.000 2.517 1579 I HA 0.092 4.248 4.170 -0.025 0.000 0.285 1579 I C 0.800 176.985 176.117 0.113 0.000 1.106 1579 I CA 0.521 61.939 61.300 0.197 0.000 1.402 1579 I CB 0.467 38.563 38.000 0.160 0.000 1.399 1579 I HN 0.750 nan 8.210 nan 0.000 0.535 1580 T N 1.491 116.101 114.554 0.094 0.000 2.716 1580 T HA 0.387 4.722 4.350 -0.025 0.000 0.286 1580 T C 0.648 175.368 174.700 0.033 0.000 1.052 1580 T CA -0.962 61.172 62.100 0.057 0.000 1.024 1580 T CB 1.375 70.285 68.868 0.070 0.000 1.349 1580 T HN 0.473 nan 8.240 nan 0.000 0.525 1581 K N 0.405 120.820 120.400 0.024 0.000 2.280 1581 K HA 0.005 4.310 4.320 -0.025 0.000 0.202 1581 K C 1.637 178.271 176.600 0.056 0.000 1.047 1581 K CA 1.053 57.352 56.287 0.019 0.000 0.942 1581 K CB -0.204 32.306 32.500 0.017 0.000 0.739 1581 K HN 0.393 nan 8.250 nan 0.000 0.457 1582 N N 0.542 119.290 118.700 0.080 0.000 2.494 1582 N HA -0.048 4.678 4.740 -0.025 0.000 0.182 1582 N C -0.039 175.558 175.510 0.144 0.000 1.076 1582 N CA 0.694 53.819 53.050 0.125 0.000 0.908 1582 N CB 0.157 38.712 38.487 0.113 0.000 0.967 1582 N HN 0.064 nan 8.380 nan 0.000 0.449 1583 T N 1.313 115.916 114.554 0.081 0.000 2.749 1583 T HA 0.053 4.389 4.350 -0.025 0.000 0.295 1583 T C -0.323 174.332 174.700 -0.076 0.000 0.936 1583 T CA -0.474 61.645 62.100 0.033 0.000 1.060 1583 T CB 1.170 70.065 68.868 0.046 0.000 0.904 1583 T HN 0.150 nan 8.240 nan 0.000 0.500 1584 W N 6.212 127.232 121.300 -0.467 0.000 2.314 1584 W HA 0.562 5.207 4.660 -0.025 0.000 0.310 1584 W C -1.703 174.447 176.519 -0.615 0.000 1.075 1584 W CA -1.359 55.536 57.345 -0.750 0.000 1.253 1584 W CB 0.263 28.643 29.460 -1.799 0.000 1.238 1584 W HN 0.529 nan 8.180 nan 0.000 0.440 1585 I N 5.135 125.366 120.570 -0.564 0.000 2.498 1585 I HA 0.332 4.487 4.170 -0.025 0.000 0.290 1585 I C -0.529 175.397 176.117 -0.318 0.000 1.032 1585 I CA -0.703 60.398 61.300 -0.330 0.000 1.073 1585 I CB 2.419 40.201 38.000 -0.364 0.000 1.251 1585 I HN 0.350 nan 8.210 nan 0.000 0.426 1586 E N 5.437 125.647 120.200 0.017 0.000 2.308 1586 E HA 0.334 4.669 4.350 -0.025 0.000 0.275 1586 E C -0.987 175.774 176.600 0.269 0.000 0.890 1586 E CA -0.921 55.552 56.400 0.122 0.000 0.754 1586 E CB 2.383 32.235 29.700 0.253 0.000 1.207 1586 E HN 0.513 nan 8.360 nan 0.000 0.426 1587 R N 3.764 124.384 120.500 0.201 0.000 2.449 1587 R HA 0.055 4.381 4.340 -0.025 0.000 0.296 1587 R C -1.048 175.186 176.300 -0.109 0.000 1.047 1587 R CA -0.196 55.898 56.100 -0.008 0.000 1.018 1587 R CB 0.535 30.842 30.300 0.012 0.000 0.962 1587 R HN 0.445 nan 8.270 nan 0.000 0.428 1588 W N 8.515 129.478 121.300 -0.562 0.000 2.294 1588 W HA 0.346 4.991 4.660 -0.025 0.000 0.314 1588 W C -2.514 173.586 176.519 -0.699 0.000 1.044 1588 W CA -3.186 53.650 57.345 -0.849 0.000 1.284 1588 W CB 1.161 30.152 29.460 -0.781 0.000 1.231 1588 W HN 0.531 nan 8.180 nan 0.000 0.419 1589 P HA -0.087 nan 4.420 nan 0.000 0.264 1589 P C 0.149 177.302 177.300 -0.245 0.000 1.183 1589 P CA 0.848 63.746 63.100 -0.337 0.000 0.763 1589 P CB 0.369 31.941 31.700 -0.214 0.000 0.807 1590 H N 1.685 120.612 119.070 -0.239 0.000 2.852 1590 H HA -0.057 4.484 4.556 -0.025 0.000 0.362 1590 H C 1.452 176.714 175.328 -0.110 0.000 1.122 1590 H CA 0.445 56.390 56.048 -0.171 0.000 1.419 1590 H CB 0.548 30.199 29.762 -0.185 0.000 1.401 1590 H HN 0.635 nan 8.280 nan 0.000 0.609 1591 E N 1.379 121.619 120.200 0.066 0.000 2.086 1591 E HA -0.268 4.067 4.350 -0.025 0.000 0.200 1591 E C 0.950 177.568 176.600 0.030 0.000 1.012 1591 E CA 2.093 58.517 56.400 0.040 0.000 0.812 1591 E CB 0.084 29.796 29.700 0.020 0.000 0.743 1591 E HN 0.748 nan 8.360 nan 0.000 0.453 1592 D N -0.108 120.300 120.400 0.014 0.000 2.224 1592 D HA -0.158 4.467 4.640 -0.025 0.000 0.205 1592 D C 1.476 177.779 176.300 0.005 0.000 0.965 1592 D CA 0.976 54.977 54.000 0.002 0.000 0.852 1592 D CB -0.525 40.261 40.800 -0.024 0.000 0.947 1592 D HN 0.390 nan 8.370 nan 0.000 0.494 1593 E N -0.430 119.750 120.200 -0.032 0.000 2.268 1593 E HA -0.070 4.265 4.350 -0.025 0.000 0.195 1593 E C 1.297 177.917 176.600 0.033 0.000 0.995 1593 E CA 0.628 56.968 56.400 -0.100 0.000 0.836 1593 E CB -0.172 29.235 29.700 -0.489 0.000 0.763 1593 E HN 0.311 nan 8.360 nan 0.000 0.491 1594 c N 1.522 120.151 118.600 0.049 0.000 2.485 1594 c HA -0.019 4.537 4.570 -0.025 0.000 0.283 1594 c C 2.005 176.165 174.090 0.116 0.000 1.478 1594 c CA 0.259 56.656 56.329 0.114 0.000 1.741 1594 c CB -0.752 41.819 42.510 0.101 0.000 1.675 1594 c HN 0.397 nan 8.230 nan 0.000 0.573 1595 Q N 0.427 120.288 119.800 0.102 0.000 2.396 1595 Q HA 0.138 4.464 4.340 -0.025 0.000 0.220 1595 Q C 0.627 176.689 176.000 0.103 0.000 0.900 1595 Q CA 0.336 56.191 55.803 0.086 0.000 0.925 1595 Q CB 0.038 28.812 28.738 0.061 0.000 1.065 1595 Q HN 0.719 nan 8.270 nan 0.000 0.535 1596 E N 1.518 121.807 120.200 0.149 0.000 2.404 1596 E HA -0.041 4.295 4.350 -0.025 0.000 0.261 1596 E C 0.572 177.255 176.600 0.138 0.000 1.074 1596 E CA -0.053 56.443 56.400 0.159 0.000 0.917 1596 E CB 0.711 30.563 29.700 0.254 0.000 0.965 1596 E HN 0.162 nan 8.360 nan 0.000 0.433 1597 E N 2.201 122.447 120.200 0.077 0.000 2.347 1597 E HA -0.202 4.133 4.350 -0.025 0.000 0.196 1597 E C 1.599 178.197 176.600 -0.004 0.000 1.008 1597 E CA 0.529 56.952 56.400 0.039 0.000 0.852 1597 E CB 0.215 29.926 29.700 0.018 0.000 0.783 1597 E HN 0.577 nan 8.360 nan 0.000 0.505 1598 E N -0.646 119.529 120.200 -0.041 0.000 2.110 1598 E HA -0.178 4.157 4.350 -0.025 0.000 0.193 1598 E C 0.967 177.340 176.600 -0.377 0.000 0.988 1598 E CA 1.211 57.456 56.400 -0.258 0.000 0.804 1598 E CB 0.029 29.487 29.700 -0.403 0.000 0.745 1598 E HN 0.300 nan 8.360 nan 0.000 0.458 1599 F N -0.192 119.785 119.950 0.044 0.000 2.724 1599 F HA 0.209 4.722 4.527 -0.025 0.000 0.306 1599 F C 2.194 178.024 175.800 0.050 0.000 1.100 1599 F CA -0.316 57.715 58.000 0.051 0.000 1.255 1599 F CB 0.080 39.114 39.000 0.058 0.000 1.072 1599 F HN -0.028 nan 8.300 nan 0.000 0.589 1600 Q N 1.369 121.280 119.800 0.185 0.000 2.012 1600 Q HA -0.316 4.009 4.340 -0.025 0.000 0.211 1600 Q C 1.871 177.931 176.000 0.101 0.000 1.009 1600 Q CA 2.404 58.282 55.803 0.126 0.000 0.866 1600 Q CB -0.034 28.751 28.738 0.079 0.000 0.945 1600 Q HN 0.330 nan 8.270 nan 0.000 0.414 1601 K N -0.287 120.150 120.400 0.063 0.000 2.155 1601 K HA -0.117 4.188 4.320 -0.025 0.000 0.203 1601 K C 1.980 178.601 176.600 0.035 0.000 1.052 1601 K CA 0.693 57.002 56.287 0.036 0.000 0.948 1601 K CB -0.132 32.371 32.500 0.006 0.000 0.728 1601 K HN 0.136 nan 8.250 nan 0.000 0.448 1602 L N 0.914 122.171 121.223 0.056 0.000 2.046 1602 L HA -0.218 4.108 4.340 -0.025 0.000 0.208 1602 L C 1.884 178.851 176.870 0.162 0.000 1.077 1602 L CA 1.725 56.603 54.840 0.065 0.000 0.747 1602 L CB -0.559 41.579 42.059 0.133 0.000 0.896 1602 L HN 0.210 nan 8.230 nan 0.000 0.432 1603 c N -0.244 118.481 118.600 0.208 0.000 2.429 1603 c HA -0.155 4.400 4.570 -0.025 0.000 0.277 1603 c C 2.383 176.576 174.090 0.173 0.000 1.262 1603 c CA 0.845 57.303 56.329 0.216 0.000 1.733 1603 c CB -1.072 41.551 42.510 0.188 0.000 2.010 1603 c HN 0.591 nan 8.230 nan 0.000 0.483 1604 D N 0.957 121.425 120.400 0.113 0.000 2.104 1604 D HA -0.119 4.506 4.640 -0.025 0.000 0.194 1604 D C 1.673 178.012 176.300 0.065 0.000 0.994 1604 D CA 1.439 55.489 54.000 0.083 0.000 0.830 1604 D CB -0.608 40.222 40.800 0.050 0.000 0.959 1604 D HN 0.485 nan 8.370 nan 0.000 0.452 1605 D N -0.239 120.164 120.400 0.005 0.000 2.104 1605 D HA -0.149 4.476 4.640 -0.025 0.000 0.194 1605 D C 2.055 178.294 176.300 -0.102 0.000 0.994 1605 D CA 0.618 54.569 54.000 -0.082 0.000 0.830 1605 D CB -0.593 40.083 40.800 -0.207 0.000 0.959 1605 D HN 0.208 nan 8.370 nan 0.000 0.452 1606 F N 1.386 121.235 119.950 -0.168 0.000 2.126 1606 F HA -0.147 4.366 4.527 -0.025 0.000 0.299 1606 F C 2.507 178.313 175.800 0.010 0.000 1.096 1606 F CA 1.172 58.969 58.000 -0.337 0.000 1.255 1606 F CB -0.615 37.856 39.000 -0.881 0.000 0.997 1606 F HN -0.073 nan 8.300 nan 0.000 0.479 1607 A N -0.827 122.167 122.820 0.290 0.000 1.933 1607 A HA -0.252 4.053 4.320 -0.025 0.000 0.218 1607 A C 2.163 179.919 177.584 0.286 0.000 1.175 1607 A CA 1.751 53.978 52.037 0.315 0.000 0.628 1607 A CB -0.856 18.282 19.000 0.229 0.000 0.814 1607 A HN 0.479 nan 8.150 nan 0.000 0.444 1608 Q N -1.666 118.263 119.800 0.216 0.000 2.079 1608 Q HA -0.161 4.165 4.340 -0.025 0.000 0.200 1608 Q C 1.868 178.022 176.000 0.255 0.000 0.974 1608 Q CA 1.624 57.559 55.803 0.219 0.000 0.840 1608 Q CB -0.265 28.552 28.738 0.131 0.000 0.898 1608 Q HN 0.662 nan 8.270 nan 0.000 0.430 1609 F N 0.601 120.592 119.950 0.068 0.000 2.046 1609 F HA -0.273 4.239 4.527 -0.025 0.000 0.297 1609 F C 2.551 178.433 175.800 0.136 0.000 1.123 1609 F CA 1.989 60.015 58.000 0.043 0.000 1.199 1609 F CB -0.797 38.165 39.000 -0.063 0.000 0.972 1609 F HN 0.056 nan 8.300 nan 0.000 0.474 1610 S N -0.792 115.121 115.700 0.356 0.000 2.359 1610 S HA -0.325 4.130 4.470 -0.025 0.000 0.223 1610 S C 2.001 176.702 174.600 0.168 0.000 1.039 1610 S CA 1.674 60.059 58.200 0.309 0.000 1.042 1610 S CB -1.058 62.473 63.200 0.552 0.000 0.915 1610 S HN 0.626 nan 8.310 nan 0.000 0.439 1611 Y N 2.037 122.409 120.300 0.120 0.000 2.128 1611 Y HA -0.166 4.369 4.550 -0.024 0.000 0.284 1611 Y C 2.580 178.530 175.900 0.082 0.000 1.154 1611 Y CA 2.362 60.516 58.100 0.090 0.000 1.149 1611 Y CB -1.112 37.417 38.460 0.114 0.000 0.976 1611 Y HN 0.269 nan 8.280 nan 0.000 0.505 1612 T N 1.316 115.910 114.554 0.067 0.000 2.652 1612 T HA -0.222 4.113 4.350 -0.025 0.000 0.267 1612 T C 2.073 176.731 174.700 -0.069 0.000 1.039 1612 T CA 1.883 64.014 62.100 0.052 0.000 1.153 1612 T CB -0.626 68.255 68.868 0.022 0.000 0.863 1612 T HN 0.314 nan 8.240 nan 0.000 0.428 1613 L N 0.943 122.041 121.223 -0.207 0.000 1.994 1613 L HA -0.122 4.203 4.340 -0.025 0.000 0.208 1613 L C 3.131 179.901 176.870 -0.166 0.000 1.071 1613 L CA 1.807 56.508 54.840 -0.231 0.000 0.745 1613 L CB -0.985 40.848 42.059 -0.378 0.000 0.892 1613 L HN 0.473 nan 8.230 nan 0.000 0.431 1614 T N -3.601 110.860 114.554 -0.155 0.000 2.915 1614 T HA -0.199 4.136 4.350 -0.025 0.000 0.269 1614 T C 1.624 176.175 174.700 -0.249 0.000 1.071 1614 T CA 1.432 63.449 62.100 -0.138 0.000 1.132 1614 T CB -0.022 68.806 68.868 -0.066 0.000 0.878 1614 T HN 0.206 nan 8.240 nan 0.000 0.479 1615 E N 0.175 120.112 120.200 -0.438 0.000 2.127 1615 E HA 0.222 4.558 4.350 -0.025 0.000 0.191 1615 E C 1.174 177.302 176.600 -0.787 0.000 0.964 1615 E CA 0.625 56.573 56.400 -0.753 0.000 0.832 1615 E CB -0.152 28.712 29.700 -1.393 0.000 0.790 1615 E HN 0.654 nan 8.360 nan 0.000 0.465 1616 F N -0.727 119.074 119.950 -0.247 0.000 2.712 1616 F HA 0.457 4.969 4.527 -0.025 0.000 0.297 1616 F C 1.244 176.960 175.800 -0.140 0.000 1.114 1616 F CA 0.298 58.197 58.000 -0.169 0.000 1.305 1616 F CB 0.793 39.699 39.000 -0.157 0.000 1.086 1616 F HN 0.191 nan 8.300 nan 0.000 0.599 1617 G N 0.371 109.167 108.800 -0.006 0.000 2.681 1617 G HA2 -0.242 3.704 3.960 -0.025 0.000 0.220 1617 G HA3 -0.242 3.704 3.960 -0.025 0.000 0.220 1617 G C -0.364 174.500 174.900 -0.061 0.000 1.353 1617 G CA -1.033 44.037 45.100 -0.050 0.000 0.872 1617 G HN 0.259 nan 8.290 nan 0.000 0.557 1618 c N 1.226 119.775 118.600 -0.086 0.000 2.700 1618 c HA 0.441 4.997 4.570 -0.025 0.000 0.397 1618 c C 0.347 174.391 174.090 -0.076 0.000 1.301 1618 c CA 0.318 56.584 56.329 -0.105 0.000 2.219 1618 c CB 0.590 43.031 42.510 -0.114 0.000 2.699 1618 c HN 0.758 nan 8.230 nan 0.000 0.669 1619 P HA 0.054 nan 4.420 nan 0.000 0.224 1619 P C 0.440 177.703 177.300 -0.061 0.000 1.157 1619 P CA 1.120 64.175 63.100 -0.075 0.000 0.799 1619 P CB -0.024 31.625 31.700 -0.086 0.000 0.809 1620 T N 0.000 114.517 114.554 -0.062 0.000 3.816 1620 T HA 0.000 4.335 4.350 -0.025 0.000 0.228 1620 T CA 0.000 62.069 62.100 -0.051 0.000 1.349 1620 T CB 0.000 68.837 68.868 -0.051 0.000 0.612 1620 T HN 0.000 nan 8.240 nan 0.000 0.658