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 3i5q_1_A DATA FIRST_RESID 1255 DATA SEQUENCE IVQLASRIQD ACEVAGIQGD ILSLVYTDAR IDSAIKDELI KTLDGKILST DATA SEQUENCE SELFNDFAVP LSYHEIALFI FKIADFRDHE VIMAKWDELF QSLRMEFNNT DATA SEQUENCE GKKEDSMNFI NLLSNVLIKI GKNVQDSEFI FPIFELFPIV CNFFYETLPK DATA SEQUENCE EHIVSGSIVS IFITAGVSFN KMYYILKELI ETSDSDNSVF NKEMTWLIHE DATA SEQUENCE WYKSDRKFRD IISYNDIIHL KEYKIDNDPI EKYVKNSGNN LGICFYKE 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 1255 I HA 0.000 nan 4.170 nan 0.000 0.288 1255 I C 0.000 176.141 176.117 0.040 0.000 1.063 1255 I CA 0.000 61.334 61.300 0.057 0.000 1.566 1255 I CB 0.000 38.049 38.000 0.082 0.000 1.214 1256 V N 4.387 124.313 119.914 0.020 0.000 2.383 1256 V HA 0.540 4.661 4.120 0.001 0.000 0.275 1256 V C 0.015 176.027 176.094 -0.137 0.000 1.036 1256 V CA -0.611 61.624 62.300 -0.109 0.000 0.889 1256 V CB 0.906 32.523 31.823 -0.344 0.000 0.985 1256 V HN 0.764 nan 8.190 nan 0.000 0.459 1257 Q N 5.242 124.999 119.800 -0.072 0.000 2.303 1257 Q HA 0.629 4.970 4.340 0.001 0.000 0.257 1257 Q C -1.478 174.500 176.000 -0.037 0.000 0.941 1257 Q CA -0.812 54.967 55.803 -0.040 0.000 0.931 1257 Q CB 1.804 30.545 28.738 0.006 0.000 1.215 1257 Q HN 0.386 nan 8.270 nan 0.000 0.437 1258 L N 1.721 122.908 121.223 -0.059 0.000 2.334 1258 L HA 0.709 5.049 4.340 0.001 0.000 0.273 1258 L C 0.100 176.976 176.870 0.010 0.000 1.013 1258 L CA -0.813 54.015 54.840 -0.020 0.000 0.816 1258 L CB 1.370 43.385 42.059 -0.074 0.000 1.278 1258 L HN 0.865 nan 8.230 nan 0.000 0.431 1259 A N 1.719 124.557 122.820 0.030 0.000 2.340 1259 A HA 0.682 5.002 4.320 0.001 0.000 0.268 1259 A C 0.112 177.702 177.584 0.011 0.000 1.100 1259 A CA -0.110 51.938 52.037 0.017 0.000 0.803 1259 A CB 0.468 19.477 19.000 0.015 0.000 1.043 1259 A HN 0.700 nan 8.150 nan 0.000 0.488 1260 S N 0.152 115.855 115.700 0.005 0.000 2.568 1260 S HA 0.708 5.178 4.470 0.001 0.000 0.293 1260 S C -0.430 174.168 174.600 -0.002 0.000 1.089 1260 S CA -0.671 57.528 58.200 -0.001 0.000 0.945 1260 S CB 1.475 64.674 63.200 -0.002 0.000 1.077 1260 S HN 0.687 nan 8.310 nan 0.000 0.485 1261 R N 1.133 121.629 120.500 -0.007 0.000 2.686 1261 R HA 0.490 4.831 4.340 0.001 0.000 0.283 1261 R C 0.646 176.940 176.300 -0.009 0.000 0.978 1261 R CA -0.702 55.395 56.100 -0.006 0.000 0.897 1261 R CB 1.298 31.595 30.300 -0.004 0.000 1.192 1261 R HN 0.550 nan 8.270 nan 0.000 0.457 1262 I N 1.727 122.293 120.570 -0.007 0.000 2.226 1262 I HA -0.351 3.820 4.170 0.001 0.000 0.245 1262 I C 2.445 178.557 176.117 -0.009 0.000 1.100 1262 I CA 1.638 62.933 61.300 -0.008 0.000 1.374 1262 I CB -0.191 37.806 38.000 -0.005 0.000 1.057 1262 I HN 0.664 nan 8.210 nan 0.000 0.413 1263 Q N 0.168 119.964 119.800 -0.007 0.000 2.437 1263 Q HA -0.173 4.167 4.340 0.001 0.000 0.210 1263 Q C 0.642 176.636 176.000 -0.010 0.000 0.972 1263 Q CA 1.225 57.024 55.803 -0.007 0.000 0.903 1263 Q CB -0.189 28.547 28.738 -0.003 0.000 0.967 1263 Q HN 0.430 nan 8.270 nan 0.000 0.486 1264 D N 0.731 121.123 120.400 -0.014 0.000 2.339 1264 D HA 0.181 4.821 4.640 0.001 0.000 0.217 1264 D C 1.540 177.821 176.300 -0.032 0.000 1.050 1264 D CA 0.631 54.618 54.000 -0.022 0.000 0.856 1264 D CB 0.292 41.077 40.800 -0.025 0.000 0.922 1264 D HN 0.384 nan 8.370 nan 0.000 0.518 1265 A N 0.957 123.761 122.820 -0.027 0.000 1.896 1265 A HA -0.315 4.006 4.320 0.001 0.000 0.220 1265 A C 2.521 180.083 177.584 -0.036 0.000 1.206 1265 A CA 2.129 54.147 52.037 -0.031 0.000 0.647 1265 A CB -1.269 17.717 19.000 -0.023 0.000 0.828 1265 A HN 0.538 nan 8.150 nan 0.000 0.455 1266 C N -1.015 118.268 119.300 -0.028 0.000 2.413 1266 C HA -0.069 4.391 4.460 0.001 0.000 0.277 1266 C C 2.255 177.224 174.990 -0.034 0.000 1.265 1266 C CA 1.230 60.232 59.018 -0.027 0.000 1.752 1266 C CB -1.621 26.109 27.740 -0.017 0.000 1.998 1266 C HN 0.659 nan 8.230 nan 0.000 0.489 1267 E N 0.953 121.128 120.200 -0.042 0.000 2.107 1267 E HA -0.085 4.265 4.350 0.001 0.000 0.191 1267 E C 2.360 178.893 176.600 -0.111 0.000 0.982 1267 E CA 1.341 57.703 56.400 -0.064 0.000 0.809 1267 E CB -0.079 29.580 29.700 -0.068 0.000 0.756 1267 E HN 0.607 nan 8.360 nan 0.000 0.459 1268 V N 1.278 121.130 119.914 -0.104 0.000 2.427 1268 V HA -0.260 3.861 4.120 0.001 0.000 0.248 1268 V C 2.293 178.326 176.094 -0.101 0.000 1.051 1268 V CA 1.674 63.903 62.300 -0.119 0.000 1.048 1268 V CB -0.720 31.049 31.823 -0.090 0.000 0.666 1268 V HN 0.328 nan 8.190 nan 0.000 0.456 1269 A N 0.764 123.540 122.820 -0.073 0.000 1.917 1269 A HA -0.163 4.158 4.320 0.001 0.000 0.219 1269 A C 2.443 179.994 177.584 -0.054 0.000 1.182 1269 A CA 2.143 54.143 52.037 -0.061 0.000 0.633 1269 A CB -1.312 17.662 19.000 -0.044 0.000 0.819 1269 A HN 0.526 nan 8.150 nan 0.000 0.448 1270 G N 0.206 108.981 108.800 -0.041 0.000 2.491 1270 G HA2 -0.257 3.703 3.960 0.001 0.000 0.218 1270 G HA3 -0.257 3.703 3.960 0.001 0.000 0.218 1270 G C 1.520 176.422 174.900 0.002 0.000 1.180 1270 G CA 1.258 46.355 45.100 -0.005 0.000 0.774 1270 G HN 0.514 nan 8.290 nan 0.000 0.562 1271 I N 0.454 120.995 120.570 -0.049 0.000 2.208 1271 I HA -0.250 3.921 4.170 0.001 0.000 0.245 1271 I C 3.012 179.087 176.117 -0.070 0.000 1.097 1271 I CA 1.307 62.578 61.300 -0.049 0.000 1.363 1271 I CB -0.346 37.550 38.000 -0.173 0.000 1.051 1271 I HN 0.264 nan 8.210 nan 0.000 0.413 1272 Q N 0.560 120.295 119.800 -0.109 0.000 2.170 1272 Q HA -0.127 4.214 4.340 0.001 0.000 0.203 1272 Q C 2.406 178.342 176.000 -0.108 0.000 0.976 1272 Q CA 1.460 57.175 55.803 -0.147 0.000 0.858 1272 Q CB -0.370 28.275 28.738 -0.154 0.000 0.907 1272 Q HN 0.674 nan 8.270 nan 0.000 0.433 1273 G N 1.193 109.951 108.800 -0.070 0.000 2.402 1273 G HA2 -0.245 3.715 3.960 0.001 0.000 0.216 1273 G HA3 -0.245 3.715 3.960 0.001 0.000 0.216 1273 G C 0.852 175.717 174.900 -0.058 0.000 1.162 1273 G CA 0.889 45.954 45.100 -0.058 0.000 0.777 1273 G HN 0.220 nan 8.290 nan 0.000 0.539 1274 D N 0.811 121.186 120.400 -0.042 0.000 2.104 1274 D HA -0.098 4.542 4.640 0.001 0.000 0.194 1274 D C 2.549 178.795 176.300 -0.091 0.000 0.994 1274 D CA 0.594 54.563 54.000 -0.052 0.000 0.830 1274 D CB -0.268 40.534 40.800 0.003 0.000 0.959 1274 D HN 0.372 nan 8.370 nan 0.000 0.452 1275 I N 0.552 121.075 120.570 -0.079 0.000 2.163 1275 I HA -0.245 3.925 4.170 0.001 0.000 0.243 1275 I C 2.574 178.671 176.117 -0.033 0.000 1.085 1275 I CA 0.617 61.882 61.300 -0.059 0.000 1.347 1275 I CB -0.267 37.675 38.000 -0.097 0.000 1.044 1275 I HN -0.001 nan 8.210 nan 0.000 0.408 1276 L N 0.133 121.329 121.223 -0.045 0.000 2.043 1276 L HA -0.301 4.039 4.340 0.001 0.000 0.212 1276 L C 2.722 179.604 176.870 0.020 0.000 1.075 1276 L CA 2.031 56.870 54.840 -0.002 0.000 0.752 1276 L CB -0.268 41.773 42.059 -0.030 0.000 0.891 1276 L HN 0.274 nan 8.230 nan 0.000 0.432 1277 S N -0.598 115.080 115.700 -0.036 0.000 2.355 1277 S HA -0.145 4.326 4.470 0.001 0.000 0.222 1277 S C 1.944 176.533 174.600 -0.019 0.000 1.031 1277 S CA 1.364 59.540 58.200 -0.040 0.000 0.993 1277 S CB -0.372 62.778 63.200 -0.084 0.000 0.859 1277 S HN 0.481 nan 8.310 nan 0.000 0.453 1278 L N 0.972 122.116 121.223 -0.131 0.000 2.046 1278 L HA -0.046 4.295 4.340 0.001 0.000 0.208 1278 L C 2.562 179.396 176.870 -0.060 0.000 1.077 1278 L CA 0.913 55.603 54.840 -0.250 0.000 0.747 1278 L CB -0.678 40.917 42.059 -0.772 0.000 0.896 1278 L HN 0.214 nan 8.230 nan 0.000 0.432 1279 V N -0.860 119.092 119.914 0.063 0.000 2.295 1279 V HA -0.349 3.772 4.120 0.001 0.000 0.246 1279 V C 2.290 178.456 176.094 0.121 0.000 1.049 1279 V CA 1.923 64.324 62.300 0.168 0.000 1.024 1279 V CB -0.615 31.329 31.823 0.202 0.000 0.648 1279 V HN 0.392 nan 8.190 nan 0.000 0.447 1280 Y N 1.617 121.924 120.300 0.011 0.000 2.132 1280 Y HA -0.333 4.218 4.550 0.000 0.000 0.280 1280 Y C 2.399 178.296 175.900 -0.004 0.000 1.193 1280 Y CA 2.439 60.539 58.100 -0.000 0.000 1.157 1280 Y CB -0.362 38.088 38.460 -0.016 0.000 0.966 1280 Y HN 0.290 nan 8.280 nan 0.000 0.511 1281 T N -0.401 114.202 114.554 0.083 0.000 3.107 1281 T HA -0.017 4.333 4.350 0.001 0.000 0.249 1281 T C 0.060 174.751 174.700 -0.016 0.000 1.096 1281 T CA 0.294 62.400 62.100 0.011 0.000 1.012 1281 T CB -0.172 68.729 68.868 0.054 0.000 0.977 1281 T HN 0.205 nan 8.240 nan 0.000 0.527 1282 D N 1.804 122.209 120.400 0.008 0.000 2.344 1282 D HA 0.337 4.978 4.640 0.001 0.000 0.253 1282 D C 1.153 177.455 176.300 0.003 0.000 1.255 1282 D CA -0.246 53.779 54.000 0.042 0.000 0.894 1282 D CB 1.108 41.988 40.800 0.134 0.000 1.067 1282 D HN 0.177 nan 8.370 nan 0.000 0.492 1283 A N 4.942 127.759 122.820 -0.005 0.000 2.070 1283 A HA -0.157 4.163 4.320 0.001 0.000 0.220 1283 A C 1.887 179.460 177.584 -0.019 0.000 1.159 1283 A CA 0.858 52.883 52.037 -0.021 0.000 0.656 1283 A CB -0.086 18.904 19.000 -0.016 0.000 0.800 1283 A HN 0.606 nan 8.150 nan 0.000 0.453 1284 R N -0.635 119.859 120.500 -0.009 0.000 2.323 1284 R HA 0.238 4.578 4.340 0.001 0.000 0.198 1284 R C -0.344 175.941 176.300 -0.026 0.000 0.988 1284 R CA 0.214 56.302 56.100 -0.019 0.000 1.041 1284 R CB -0.178 30.108 30.300 -0.023 0.000 0.926 1284 R HN 0.472 nan 8.270 nan 0.000 0.476 1285 I N 0.274 120.831 120.570 -0.021 0.000 2.493 1285 I HA 0.145 4.316 4.170 0.001 0.000 0.298 1285 I C -0.211 175.887 176.117 -0.032 0.000 0.998 1285 I CA -1.150 60.135 61.300 -0.024 0.000 1.137 1285 I CB 1.634 39.631 38.000 -0.005 0.000 1.310 1285 I HN -0.182 nan 8.210 nan 0.000 0.445 1286 D N 2.759 123.140 120.400 -0.031 0.000 2.351 1286 D HA 0.041 4.681 4.640 0.001 0.000 0.251 1286 D C 1.123 177.404 176.300 -0.032 0.000 1.137 1286 D CA 0.349 54.330 54.000 -0.032 0.000 0.879 1286 D CB 1.544 42.327 40.800 -0.028 0.000 1.181 1286 D HN 0.526 nan 8.370 nan 0.000 0.448 1287 S N 2.929 118.606 115.700 -0.038 0.000 2.392 1287 S HA -0.265 4.205 4.470 0.001 0.000 0.232 1287 S C 1.873 176.459 174.600 -0.024 0.000 1.041 1287 S CA 1.821 59.995 58.200 -0.043 0.000 1.026 1287 S CB -0.129 63.044 63.200 -0.045 0.000 0.845 1287 S HN 0.580 nan 8.310 nan 0.000 0.465 1288 A N 1.483 124.292 122.820 -0.018 0.000 1.930 1288 A HA 0.037 4.358 4.320 0.001 0.000 0.217 1288 A C 2.056 179.638 177.584 -0.003 0.000 1.175 1288 A CA 1.384 53.416 52.037 -0.009 0.000 0.627 1288 A CB -0.552 18.442 19.000 -0.010 0.000 0.815 1288 A HN 0.590 nan 8.150 nan 0.000 0.443 1289 I N -0.107 120.459 120.570 -0.008 0.000 2.546 1289 I HA -0.156 4.014 4.170 0.001 0.000 0.255 1289 I C 2.063 178.190 176.117 0.017 0.000 1.163 1289 I CA 1.269 62.568 61.300 -0.002 0.000 1.457 1289 I CB -1.124 36.867 38.000 -0.016 0.000 1.092 1289 I HN 0.371 nan 8.210 nan 0.000 0.434 1290 K N 0.407 120.814 120.400 0.012 0.000 2.097 1290 K HA -0.187 4.133 4.320 0.001 0.000 0.205 1290 K C 1.813 178.444 176.600 0.052 0.000 1.050 1290 K CA 1.096 57.402 56.287 0.033 0.000 0.938 1290 K CB -0.092 32.404 32.500 -0.006 0.000 0.718 1290 K HN 0.232 nan 8.250 nan 0.000 0.442 1291 D N 1.240 121.661 120.400 0.035 0.000 2.108 1291 D HA -0.183 4.457 4.640 0.001 0.000 0.190 1291 D C 1.831 178.159 176.300 0.047 0.000 0.995 1291 D CA 1.328 55.353 54.000 0.041 0.000 0.834 1291 D CB 0.224 41.039 40.800 0.026 0.000 0.967 1291 D HN 0.104 nan 8.370 nan 0.000 0.446 1292 E N 0.187 120.412 120.200 0.041 0.000 2.051 1292 E HA -0.145 4.205 4.350 0.001 0.000 0.192 1292 E C 2.342 178.986 176.600 0.074 0.000 0.991 1292 E CA 0.230 56.658 56.400 0.047 0.000 0.799 1292 E CB -0.452 29.269 29.700 0.034 0.000 0.748 1292 E HN 0.246 nan 8.360 nan 0.000 0.449 1293 L N 1.068 122.348 121.223 0.095 0.000 2.013 1293 L HA -0.180 4.160 4.340 0.001 0.000 0.212 1293 L C 2.428 179.376 176.870 0.129 0.000 1.073 1293 L CA 1.387 56.325 54.840 0.164 0.000 0.753 1293 L CB -0.940 41.235 42.059 0.194 0.000 0.890 1293 L HN 0.125 nan 8.230 nan 0.000 0.432 1294 I N -0.928 119.702 120.570 0.099 0.000 2.099 1294 I HA -0.341 3.829 4.170 0.001 0.000 0.239 1294 I C 2.479 178.624 176.117 0.046 0.000 1.066 1294 I CA 1.097 62.441 61.300 0.073 0.000 1.324 1294 I CB -0.390 37.662 38.000 0.087 0.000 1.037 1294 I HN 0.235 nan 8.210 nan 0.000 0.401 1295 K N 0.430 120.858 120.400 0.046 0.000 2.052 1295 K HA -0.234 4.086 4.320 0.001 0.000 0.215 1295 K C 2.040 178.658 176.600 0.029 0.000 1.053 1295 K CA 2.295 58.602 56.287 0.033 0.000 0.934 1295 K CB -1.289 31.231 32.500 0.033 0.000 0.717 1295 K HN 0.383 nan 8.250 nan 0.000 0.450 1296 T N 2.428 117.010 114.554 0.047 0.000 2.622 1296 T HA -0.111 4.239 4.350 0.001 0.000 0.266 1296 T C 2.119 176.823 174.700 0.008 0.000 1.047 1296 T CA 1.422 63.550 62.100 0.047 0.000 1.159 1296 T CB -0.364 68.568 68.868 0.107 0.000 0.863 1296 T HN 0.135 nan 8.240 nan 0.000 0.422 1297 L N 0.700 121.916 121.223 -0.011 0.000 2.261 1297 L HA -0.115 4.225 4.340 0.001 0.000 0.216 1297 L C 2.169 179.004 176.870 -0.059 0.000 1.114 1297 L CA 1.001 55.792 54.840 -0.082 0.000 0.777 1297 L CB -0.398 41.593 42.059 -0.114 0.000 0.910 1297 L HN 0.168 nan 8.230 nan 0.000 0.440 1298 D N -0.758 119.625 120.400 -0.028 0.000 2.301 1298 D HA -0.004 4.637 4.640 0.001 0.000 0.206 1298 D C 2.062 178.350 176.300 -0.020 0.000 0.979 1298 D CA 1.000 54.984 54.000 -0.026 0.000 0.874 1298 D CB 0.138 40.928 40.800 -0.017 0.000 0.968 1298 D HN 0.213 nan 8.370 nan 0.000 0.510 1299 G N 0.830 109.623 108.800 -0.012 0.000 2.424 1299 G HA2 -0.117 3.844 3.960 0.001 0.000 0.214 1299 G HA3 -0.117 3.844 3.960 0.001 0.000 0.214 1299 G C 0.765 175.658 174.900 -0.011 0.000 1.202 1299 G CA 0.879 45.975 45.100 -0.007 0.000 0.793 1299 G HN 0.378 nan 8.290 nan 0.000 0.534 1300 K N -1.416 118.975 120.400 -0.014 0.000 2.372 1300 K HA 0.654 4.974 4.320 0.001 0.000 0.251 1300 K C -1.259 175.325 176.600 -0.028 0.000 1.055 1300 K CA -1.060 55.218 56.287 -0.015 0.000 0.879 1300 K CB 1.532 34.029 32.500 -0.005 0.000 1.384 1300 K HN -0.126 nan 8.250 nan 0.000 0.465 1301 I N 2.839 123.394 120.570 -0.025 0.000 2.312 1301 I HA 0.256 4.427 4.170 0.001 0.000 0.290 1301 I C -0.057 176.044 176.117 -0.027 0.000 1.008 1301 I CA -0.563 60.716 61.300 -0.034 0.000 1.226 1301 I CB 0.468 38.450 38.000 -0.030 0.000 1.371 1301 I HN 0.557 nan 8.210 nan 0.000 0.468 1302 L N 4.710 125.910 121.223 -0.038 0.000 2.421 1302 L HA 0.361 4.701 4.340 0.001 0.000 0.263 1302 L C 1.059 177.920 176.870 -0.014 0.000 1.122 1302 L CA -0.585 54.246 54.840 -0.015 0.000 0.804 1302 L CB 1.003 43.053 42.059 -0.016 0.000 1.150 1302 L HN 0.670 nan 8.230 nan 0.000 0.457 1303 S N -1.401 114.304 115.700 0.009 0.000 2.579 1303 S HA 0.031 4.502 4.470 0.001 0.000 0.275 1303 S C 1.224 175.831 174.600 0.013 0.000 1.345 1303 S CA -0.137 58.068 58.200 0.009 0.000 1.031 1303 S CB 1.139 64.351 63.200 0.019 0.000 0.892 1303 S HN 0.804 nan 8.310 nan 0.000 0.529 1304 T N -0.315 114.241 114.554 0.004 0.000 2.737 1304 T HA -0.207 4.144 4.350 0.001 0.000 0.269 1304 T C 1.940 176.673 174.700 0.055 0.000 1.040 1304 T CA 1.690 63.797 62.100 0.011 0.000 1.142 1304 T CB -1.075 67.792 68.868 -0.001 0.000 0.861 1304 T HN 0.708 nan 8.240 nan 0.000 0.456 1305 S N 1.130 116.855 115.700 0.040 0.000 2.368 1305 S HA -0.177 4.293 4.470 0.001 0.000 0.225 1305 S C 2.178 176.852 174.600 0.123 0.000 1.030 1305 S CA 1.670 59.903 58.200 0.055 0.000 0.999 1305 S CB -0.509 62.705 63.200 0.024 0.000 0.844 1305 S HN 0.714 nan 8.310 nan 0.000 0.459 1306 E N 0.105 120.369 120.200 0.108 0.000 2.072 1306 E HA -0.041 4.310 4.350 0.001 0.000 0.191 1306 E C 2.083 178.826 176.600 0.239 0.000 0.985 1306 E CA 1.116 57.605 56.400 0.147 0.000 0.801 1306 E CB -0.148 29.625 29.700 0.121 0.000 0.750 1306 E HN 0.543 nan 8.360 nan 0.000 0.452 1307 L N -0.105 121.220 121.223 0.170 0.000 2.093 1307 L HA -0.125 4.215 4.340 0.001 0.000 0.208 1307 L C 2.256 179.246 176.870 0.200 0.000 1.085 1307 L CA 0.810 55.734 54.840 0.139 0.000 0.755 1307 L CB -0.349 41.693 42.059 -0.029 0.000 0.904 1307 L HN 0.213 nan 8.230 nan 0.000 0.435 1308 F N 1.008 120.967 119.950 0.015 0.000 2.037 1308 F HA -0.164 4.363 4.527 0.001 0.000 0.291 1308 F C 2.517 178.306 175.800 -0.018 0.000 1.137 1308 F CA 1.604 59.575 58.000 -0.049 0.000 1.178 1308 F CB -0.194 38.742 39.000 -0.106 0.000 0.995 1308 F HN 0.040 nan 8.300 nan 0.000 0.472 1309 N N 0.319 119.224 118.700 0.342 0.000 2.244 1309 N HA -0.148 4.592 4.740 0.001 0.000 0.183 1309 N C 0.962 176.485 175.510 0.023 0.000 1.016 1309 N CA 1.547 54.710 53.050 0.189 0.000 0.866 1309 N CB -0.450 38.153 38.487 0.194 0.000 0.980 1309 N HN 0.417 nan 8.380 nan 0.000 0.430 1310 D N -1.187 119.240 120.400 0.045 0.000 2.350 1310 D HA 0.117 4.758 4.640 0.001 0.000 0.213 1310 D C 0.916 176.997 176.300 -0.365 0.000 1.031 1310 D CA 0.306 54.233 54.000 -0.121 0.000 0.861 1310 D CB 0.208 40.960 40.800 -0.080 0.000 0.926 1310 D HN 0.227 nan 8.370 nan 0.000 0.520 1311 F N 0.454 120.329 119.950 -0.124 0.000 1.965 1311 F HA 0.271 4.799 4.527 0.000 0.000 0.237 1311 F C 2.319 177.945 175.800 -0.290 0.000 1.132 1311 F CA 0.001 57.904 58.000 -0.162 0.000 1.272 1311 F CB -0.646 38.313 39.000 -0.070 0.000 1.657 1311 F HN -0.172 nan 8.300 nan 0.000 0.525 1312 A N 0.410 123.192 122.820 -0.064 0.000 1.896 1312 A HA -0.196 4.125 4.320 0.001 0.000 0.220 1312 A C 2.130 179.448 177.584 -0.444 0.000 1.206 1312 A CA 2.797 54.661 52.037 -0.288 0.000 0.647 1312 A CB -1.296 17.415 19.000 -0.481 0.000 0.828 1312 A HN 0.217 nan 8.150 nan 0.000 0.455 1313 V N 0.211 119.839 119.914 -0.477 0.000 2.273 1313 V HA -0.106 4.014 4.120 0.001 0.000 0.242 1313 V C -0.078 175.846 176.094 -0.284 0.000 1.035 1313 V CA 2.131 64.208 62.300 -0.372 0.000 1.013 1313 V CB -1.507 30.137 31.823 -0.298 0.000 0.652 1313 V HN 0.380 nan 8.190 nan 0.000 0.452 1314 P HA -0.153 nan 4.420 nan 0.000 0.216 1314 P C 1.640 178.754 177.300 -0.310 0.000 1.150 1314 P CA 1.586 64.540 63.100 -0.244 0.000 0.843 1314 P CB -0.044 31.502 31.700 -0.256 0.000 0.787 1315 L N -2.223 118.721 121.223 -0.465 0.000 2.567 1315 L HA 0.126 4.466 4.340 0.001 0.000 0.225 1315 L C 0.567 177.007 176.870 -0.717 0.000 1.119 1315 L CA 0.206 54.639 54.840 -0.679 0.000 0.871 1315 L CB -0.510 40.864 42.059 -1.141 0.000 1.036 1315 L HN -0.102 nan 8.230 nan 0.000 0.459 1316 S N -0.891 114.471 115.700 -0.562 0.000 3.635 1316 S HA -0.201 4.269 4.470 0.001 0.000 0.328 1316 S C -0.233 173.924 174.600 -0.739 0.000 1.135 1316 S CA 0.297 58.137 58.200 -0.600 0.000 0.942 1316 S CB -1.723 61.246 63.200 -0.385 0.000 0.930 1316 S HN 0.285 nan 8.310 nan 0.000 0.512 1317 Y N 1.871 121.888 120.300 -0.473 0.000 2.594 1317 Y HA 0.245 4.795 4.550 0.000 0.000 0.344 1317 Y C 1.676 177.346 175.900 -0.384 0.000 1.185 1317 Y CA -1.233 56.639 58.100 -0.380 0.000 1.565 1317 Y CB -0.528 37.802 38.460 -0.217 0.000 1.415 1317 Y HN 0.363 nan 8.280 nan 0.000 0.488 1318 H N 0.824 119.841 119.070 -0.089 0.000 2.423 1318 H HA -0.081 4.475 4.556 0.000 0.000 0.297 1318 H C 1.352 176.514 175.328 -0.277 0.000 1.075 1318 H CA 1.362 57.279 56.048 -0.219 0.000 1.342 1318 H CB 0.143 29.768 29.762 -0.228 0.000 1.395 1318 H HN 0.548 nan 8.280 nan 0.000 0.530 1319 E N 0.627 120.746 120.200 -0.133 0.000 2.051 1319 E HA -0.091 4.260 4.350 0.001 0.000 0.192 1319 E C 2.330 178.857 176.600 -0.122 0.000 0.991 1319 E CA 0.510 56.796 56.400 -0.190 0.000 0.799 1319 E CB -0.039 29.558 29.700 -0.171 0.000 0.748 1319 E HN 0.252 nan 8.360 nan 0.000 0.449 1320 I N 1.136 121.663 120.570 -0.071 0.000 2.163 1320 I HA -0.301 3.870 4.170 0.001 0.000 0.243 1320 I C 2.345 178.420 176.117 -0.069 0.000 1.085 1320 I CA 1.516 62.814 61.300 -0.003 0.000 1.347 1320 I CB -1.390 36.621 38.000 0.019 0.000 1.044 1320 I HN 0.098 nan 8.210 nan 0.000 0.408 1321 A N 1.094 123.783 122.820 -0.218 0.000 1.892 1321 A HA -0.207 4.113 4.320 0.001 0.000 0.218 1321 A C 2.416 179.726 177.584 -0.457 0.000 1.188 1321 A CA 1.599 53.385 52.037 -0.419 0.000 0.631 1321 A CB -0.944 17.718 19.000 -0.563 0.000 0.822 1321 A HN 0.421 nan 8.150 nan 0.000 0.447 1322 L N -2.146 118.897 121.223 -0.299 0.000 2.046 1322 L HA -0.168 4.172 4.340 0.001 0.000 0.208 1322 L C 2.517 179.473 176.870 0.144 0.000 1.077 1322 L CA 1.433 56.204 54.840 -0.115 0.000 0.747 1322 L CB -0.595 41.288 42.059 -0.295 0.000 0.896 1322 L HN 0.438 nan 8.230 nan 0.000 0.432 1323 F N 0.983 120.886 119.950 -0.078 0.000 2.126 1323 F HA -0.222 4.306 4.527 0.001 0.000 0.299 1323 F C 2.323 178.142 175.800 0.033 0.000 1.096 1323 F CA 1.285 59.281 58.000 -0.007 0.000 1.255 1323 F CB -0.464 38.509 39.000 -0.045 0.000 0.997 1323 F HN -0.075 nan 8.300 nan 0.000 0.479 1324 I N -1.185 119.392 120.570 0.011 0.000 2.208 1324 I HA -0.351 3.819 4.170 0.001 0.000 0.245 1324 I C 2.352 178.533 176.117 0.107 0.000 1.097 1324 I CA 0.902 62.174 61.300 -0.046 0.000 1.363 1324 I CB -0.611 37.394 38.000 0.009 0.000 1.051 1324 I HN -0.023 nan 8.210 nan 0.000 0.413 1325 F N 1.357 121.364 119.950 0.096 0.000 2.126 1325 F HA -0.261 4.267 4.527 0.000 0.000 0.299 1325 F C 2.546 178.447 175.800 0.168 0.000 1.096 1325 F CA 1.502 59.571 58.000 0.115 0.000 1.255 1325 F CB -1.065 38.048 39.000 0.188 0.000 0.997 1325 F HN 0.049 nan 8.300 nan 0.000 0.479 1326 K N 0.293 120.923 120.400 0.382 0.000 1.991 1326 K HA -0.200 4.120 4.320 0.001 0.000 0.212 1326 K C 2.003 178.696 176.600 0.154 0.000 1.049 1326 K CA 1.739 58.202 56.287 0.293 0.000 0.932 1326 K CB -0.384 32.329 32.500 0.356 0.000 0.717 1326 K HN 0.010 nan 8.250 nan 0.000 0.441 1327 I N 1.596 122.177 120.570 0.019 0.000 2.335 1327 I HA -0.183 3.987 4.170 0.001 0.000 0.251 1327 I C 2.195 178.316 176.117 0.007 0.000 1.129 1327 I CA 1.331 62.594 61.300 -0.062 0.000 1.402 1327 I CB -0.981 36.880 38.000 -0.231 0.000 1.069 1327 I HN 0.301 nan 8.210 nan 0.000 0.424 1328 A N -0.806 122.052 122.820 0.062 0.000 2.238 1328 A HA -0.036 4.285 4.320 0.001 0.000 0.208 1328 A C 1.039 178.678 177.584 0.092 0.000 1.177 1328 A CA 0.703 52.788 52.037 0.078 0.000 0.804 1328 A CB -0.447 18.620 19.000 0.111 0.000 0.823 1328 A HN 0.421 nan 8.150 nan 0.000 0.482 1329 D N -2.370 118.090 120.400 0.099 0.000 2.708 1329 D HA -0.214 4.426 4.640 0.001 0.000 0.236 1329 D C -0.398 175.908 176.300 0.010 0.000 1.146 1329 D CA 0.462 54.491 54.000 0.048 0.000 0.662 1329 D CB -1.927 38.872 40.800 -0.001 0.000 1.059 1329 D HN 0.369 nan 8.370 nan 0.000 0.428 1330 F N 0.431 120.335 119.950 -0.076 0.000 2.484 1330 F HA 0.352 4.879 4.527 0.000 0.000 0.360 1330 F C 1.542 177.190 175.800 -0.254 0.000 1.101 1330 F CA 0.201 58.084 58.000 -0.194 0.000 1.251 1330 F CB 0.566 39.394 39.000 -0.285 0.000 1.132 1330 F HN -0.017 nan 8.300 nan 0.000 0.570 1331 R N 2.597 122.547 120.500 -0.916 0.000 2.566 1331 R HA 0.060 4.400 4.340 0.001 0.000 0.388 1331 R C -0.597 175.369 176.300 -0.558 0.000 0.989 1331 R CA -0.278 55.399 56.100 -0.704 0.000 1.164 1331 R CB 0.169 29.959 30.300 -0.851 0.000 1.459 1331 R HN 0.551 nan 8.270 nan 0.000 0.553 1332 D N 0.968 120.787 120.400 -0.969 0.000 2.359 1332 D HA -0.061 4.580 4.640 0.001 0.000 0.250 1332 D C 0.779 177.015 176.300 -0.105 0.000 1.264 1332 D CA 0.225 53.935 54.000 -0.482 0.000 0.911 1332 D CB 0.629 41.118 40.800 -0.519 0.000 1.056 1332 D HN 0.237 nan 8.370 nan 0.000 0.499 1333 H N 4.092 123.145 119.070 -0.028 0.000 2.353 1333 H HA -0.156 4.401 4.556 0.000 0.000 0.298 1333 H C 1.353 176.757 175.328 0.127 0.000 1.103 1333 H CA 1.928 58.034 56.048 0.097 0.000 1.293 1333 H CB 0.576 30.404 29.762 0.111 0.000 1.372 1333 H HN 0.414 nan 8.280 nan 0.000 0.501 1334 E N 0.003 120.273 120.200 0.116 0.000 2.038 1334 E HA -0.143 4.207 4.350 0.001 0.000 0.195 1334 E C 2.585 179.240 176.600 0.091 0.000 1.000 1334 E CA 1.379 57.832 56.400 0.090 0.000 0.803 1334 E CB -0.602 29.166 29.700 0.113 0.000 0.750 1334 E HN 0.402 nan 8.360 nan 0.000 0.448 1335 V N 1.433 121.423 119.914 0.127 0.000 2.490 1335 V HA -0.223 3.897 4.120 0.001 0.000 0.250 1335 V C 2.404 178.630 176.094 0.220 0.000 1.061 1335 V CA 1.311 63.724 62.300 0.189 0.000 1.064 1335 V CB -0.458 31.524 31.823 0.266 0.000 0.670 1335 V HN 0.164 nan 8.190 nan 0.000 0.461 1336 I N -0.900 119.779 120.570 0.182 0.000 2.202 1336 I HA -0.209 3.961 4.170 0.001 0.000 0.242 1336 I C 2.500 178.839 176.117 0.369 0.000 1.091 1336 I CA 1.256 62.731 61.300 0.291 0.000 1.368 1336 I CB -0.318 37.855 38.000 0.287 0.000 1.058 1336 I HN 0.219 nan 8.210 nan 0.000 0.410 1337 M N 0.347 120.048 119.600 0.169 0.000 2.159 1337 M HA -0.127 4.353 4.480 0.001 0.000 0.263 1337 M C 2.607 179.057 176.300 0.250 0.000 1.063 1337 M CA 1.805 57.229 55.300 0.207 0.000 1.110 1337 M CB -1.559 31.038 32.600 -0.006 0.000 1.374 1337 M HN 0.297 nan 8.290 nan 0.000 0.411 1338 A N 0.285 123.213 122.820 0.181 0.000 1.908 1338 A HA -0.226 4.095 4.320 0.001 0.000 0.218 1338 A C 2.310 179.974 177.584 0.133 0.000 1.181 1338 A CA 2.227 54.357 52.037 0.155 0.000 0.627 1338 A CB -0.600 18.483 19.000 0.139 0.000 0.818 1338 A HN 0.365 nan 8.150 nan 0.000 0.445 1339 K N -0.902 119.594 120.400 0.159 0.000 2.057 1339 K HA -0.163 4.158 4.320 0.001 0.000 0.207 1339 K C 1.571 178.103 176.600 -0.113 0.000 1.049 1339 K CA 1.643 57.945 56.287 0.026 0.000 0.931 1339 K CB -0.609 31.964 32.500 0.121 0.000 0.714 1339 K HN 0.645 nan 8.250 nan 0.000 0.440 1340 W N 1.090 122.385 121.300 -0.009 0.000 2.363 1340 W HA -0.157 4.504 4.660 0.001 0.000 0.296 1340 W C 2.021 178.431 176.519 -0.182 0.000 1.212 1340 W CA 1.409 58.669 57.345 -0.142 0.000 1.260 1340 W CB -0.510 28.968 29.460 0.031 0.000 1.131 1340 W HN 0.272 nan 8.180 nan 0.000 0.530 1341 D N 0.320 120.879 120.400 0.264 0.000 2.092 1341 D HA -0.221 4.419 4.640 0.001 0.000 0.193 1341 D C 1.782 178.119 176.300 0.062 0.000 0.994 1341 D CA 1.816 55.973 54.000 0.261 0.000 0.828 1341 D CB -0.258 40.659 40.800 0.195 0.000 0.963 1341 D HN 0.151 nan 8.370 nan 0.000 0.450 1342 E N -0.756 119.377 120.200 -0.112 0.000 2.130 1342 E HA -0.209 4.142 4.350 0.001 0.000 0.196 1342 E C 2.068 178.423 176.600 -0.408 0.000 0.998 1342 E CA 0.650 56.853 56.400 -0.328 0.000 0.806 1342 E CB -0.178 29.133 29.700 -0.648 0.000 0.738 1342 E HN 0.250 nan 8.360 nan 0.000 0.459 1343 L N 0.300 121.260 121.223 -0.438 0.000 1.976 1343 L HA -0.184 4.157 4.340 0.001 0.000 0.209 1343 L C 1.966 178.676 176.870 -0.267 0.000 1.071 1343 L CA 1.728 56.371 54.840 -0.328 0.000 0.746 1343 L CB -0.663 41.098 42.059 -0.497 0.000 0.890 1343 L HN 0.014 nan 8.230 nan 0.000 0.432 1344 F N 0.161 119.978 119.950 -0.221 0.000 2.065 1344 F HA -0.283 4.244 4.527 0.001 0.000 0.298 1344 F C 2.702 178.402 175.800 -0.167 0.000 1.112 1344 F CA 1.896 59.531 58.000 -0.608 0.000 1.212 1344 F CB -1.298 37.083 39.000 -1.032 0.000 0.975 1344 F HN 0.202 nan 8.300 nan 0.000 0.476 1345 Q N -0.023 119.903 119.800 0.210 0.000 2.077 1345 Q HA -0.238 4.102 4.340 0.001 0.000 0.206 1345 Q C 2.487 178.636 176.000 0.247 0.000 0.989 1345 Q CA 2.315 58.290 55.803 0.287 0.000 0.853 1345 Q CB -0.525 28.320 28.738 0.179 0.000 0.907 1345 Q HN 0.536 nan 8.270 nan 0.000 0.418 1346 S N 0.471 116.273 115.700 0.170 0.000 2.383 1346 S HA -0.154 4.316 4.470 0.001 0.000 0.229 1346 S C 1.924 176.655 174.600 0.217 0.000 1.030 1346 S CA 0.986 59.296 58.200 0.182 0.000 1.002 1346 S CB -0.444 62.883 63.200 0.212 0.000 0.829 1346 S HN 0.318 nan 8.310 nan 0.000 0.467 1347 L N 0.645 122.025 121.223 0.262 0.000 2.109 1347 L HA 0.071 4.412 4.340 0.001 0.000 0.207 1347 L C 3.192 180.371 176.870 0.515 0.000 1.086 1347 L CA 1.272 56.329 54.840 0.361 0.000 0.760 1347 L CB -0.475 41.786 42.059 0.337 0.000 0.910 1347 L HN 0.305 nan 8.230 nan 0.000 0.437 1348 R N -0.210 120.634 120.500 0.573 0.000 2.127 1348 R HA -0.170 4.171 4.340 0.001 0.000 0.238 1348 R C 2.359 178.801 176.300 0.236 0.000 1.134 1348 R CA 1.261 57.607 56.100 0.410 0.000 0.975 1348 R CB -0.028 30.499 30.300 0.379 0.000 0.865 1348 R HN 0.263 nan 8.270 nan 0.000 0.447 1349 M N 0.806 120.536 119.600 0.216 0.000 2.108 1349 M HA -0.203 4.277 4.480 0.001 0.000 0.261 1349 M C 1.752 178.120 176.300 0.112 0.000 1.066 1349 M CA 1.784 57.164 55.300 0.133 0.000 1.107 1349 M CB -0.792 31.883 32.600 0.124 0.000 1.356 1349 M HN 0.252 nan 8.290 nan 0.000 0.406 1350 E N -1.035 119.265 120.200 0.166 0.000 2.479 1350 E HA -0.022 4.328 4.350 0.001 0.000 0.193 1350 E C 0.107 176.817 176.600 0.185 0.000 1.049 1350 E CA -0.261 56.228 56.400 0.148 0.000 0.870 1350 E CB -0.295 29.501 29.700 0.160 0.000 0.944 1350 E HN 0.218 nan 8.360 nan 0.000 0.492 1351 F N 2.586 122.517 119.950 -0.030 0.000 2.424 1351 F HA 0.355 4.882 4.527 0.000 0.000 0.356 1351 F C -0.360 175.319 175.800 -0.201 0.000 1.110 1351 F CA -1.787 56.089 58.000 -0.207 0.000 1.161 1351 F CB 0.855 39.395 39.000 -0.767 0.000 1.115 1351 F HN -0.239 nan 8.300 nan 0.000 0.507 1352 N N 5.200 123.560 118.700 -0.567 0.000 2.555 1352 N HA 0.025 4.765 4.740 0.001 0.000 0.244 1352 N C -0.440 174.398 175.510 -1.120 0.000 1.114 1352 N CA 0.006 52.683 53.050 -0.621 0.000 0.963 1352 N CB -0.355 37.994 38.487 -0.229 0.000 1.276 1352 N HN 0.497 nan 8.380 nan 0.000 0.510 1353 N N 1.880 119.828 118.700 -1.254 0.000 2.895 1353 N HA -0.026 4.714 4.740 0.001 0.000 0.277 1353 N C 0.733 176.009 175.510 -0.390 0.000 1.185 1353 N CA 0.073 52.522 53.050 -1.001 0.000 1.106 1353 N CB 0.233 38.304 38.487 -0.694 0.000 1.422 1353 N HN 0.489 nan 8.380 nan 0.000 0.521 1354 T N -1.188 113.210 114.554 -0.259 0.000 2.867 1354 T HA 0.045 4.395 4.350 0.001 0.000 0.268 1354 T C 1.448 176.125 174.700 -0.038 0.000 1.057 1354 T CA 1.048 63.079 62.100 -0.114 0.000 1.136 1354 T CB -0.176 68.654 68.868 -0.064 0.000 0.874 1354 T HN 0.440 nan 8.240 nan 0.000 0.466 1355 G N 1.093 109.908 108.800 0.025 0.000 2.175 1355 G HA2 -0.229 3.731 3.960 0.001 0.000 0.244 1355 G HA3 -0.229 3.731 3.960 0.001 0.000 0.244 1355 G C 0.043 175.054 174.900 0.184 0.000 0.982 1355 G CA 0.028 45.202 45.100 0.123 0.000 0.641 1355 G HN 0.656 nan 8.290 nan 0.000 0.527 1356 K N 0.872 121.317 120.400 0.075 0.000 2.412 1356 K HA 0.233 4.553 4.320 0.001 0.000 0.281 1356 K C 1.571 178.086 176.600 -0.141 0.000 1.027 1356 K CA -0.016 56.277 56.287 0.009 0.000 0.989 1356 K CB 0.829 33.328 32.500 -0.002 0.000 0.935 1356 K HN 0.205 nan 8.250 nan 0.000 0.475 1357 K N 3.020 123.244 120.400 -0.293 0.000 1.991 1357 K HA -0.211 4.109 4.320 0.001 0.000 0.212 1357 K C 1.580 178.017 176.600 -0.271 0.000 1.049 1357 K CA 1.972 57.908 56.287 -0.586 0.000 0.932 1357 K CB 0.086 32.401 32.500 -0.310 0.000 0.717 1357 K HN 0.670 nan 8.250 nan 0.000 0.441 1358 E N 0.483 120.610 120.200 -0.121 0.000 2.209 1358 E HA -0.233 4.117 4.350 0.001 0.000 0.196 1358 E C 1.205 177.801 176.600 -0.006 0.000 0.993 1358 E CA 1.388 57.758 56.400 -0.049 0.000 0.819 1358 E CB -0.268 29.420 29.700 -0.020 0.000 0.745 1358 E HN 0.346 nan 8.360 nan 0.000 0.477 1359 D N 0.865 121.271 120.400 0.011 0.000 2.137 1359 D HA 0.009 4.650 4.640 0.001 0.000 0.202 1359 D C 2.051 178.471 176.300 0.201 0.000 0.970 1359 D CA 1.059 55.130 54.000 0.118 0.000 0.837 1359 D CB -0.100 40.768 40.800 0.113 0.000 0.981 1359 D HN 0.081 nan 8.370 nan 0.000 0.475 1360 S N 0.260 116.023 115.700 0.105 0.000 2.356 1360 S HA -0.118 4.353 4.470 0.001 0.000 0.223 1360 S C 2.013 176.630 174.600 0.027 0.000 1.032 1360 S CA 0.780 59.029 58.200 0.082 0.000 1.005 1360 S CB -0.108 63.105 63.200 0.022 0.000 0.867 1360 S HN 0.253 nan 8.310 nan 0.000 0.449 1361 M N 1.232 120.819 119.600 -0.021 0.000 2.073 1361 M HA -0.206 4.275 4.480 0.001 0.000 0.258 1361 M C 2.010 178.314 176.300 0.006 0.000 1.070 1361 M CA 1.572 56.864 55.300 -0.013 0.000 1.103 1361 M CB -0.832 31.752 32.600 -0.026 0.000 1.321 1361 M HN 0.373 nan 8.290 nan 0.000 0.405 1362 N N -0.594 118.129 118.700 0.038 0.000 2.137 1362 N HA -0.215 4.526 4.740 0.001 0.000 0.190 1362 N C 1.498 177.039 175.510 0.052 0.000 1.017 1362 N CA 1.378 54.461 53.050 0.054 0.000 0.859 1362 N CB -0.110 38.434 38.487 0.095 0.000 1.002 1362 N HN 0.196 nan 8.380 nan 0.000 0.428 1363 F N 1.491 121.357 119.950 -0.140 0.000 2.084 1363 F HA -0.004 4.523 4.527 0.000 0.000 0.296 1363 F C 1.866 177.509 175.800 -0.261 0.000 1.111 1363 F CA 1.028 58.849 58.000 -0.298 0.000 1.224 1363 F CB -0.476 38.023 39.000 -0.834 0.000 0.991 1363 F HN -0.035 nan 8.300 nan 0.000 0.471 1364 I N 0.673 121.050 120.570 -0.323 0.000 2.145 1364 I HA -0.458 3.713 4.170 0.001 0.000 0.244 1364 I C 2.179 178.171 176.117 -0.208 0.000 1.075 1364 I CA 1.694 62.823 61.300 -0.285 0.000 1.332 1364 I CB -0.839 37.140 38.000 -0.033 0.000 1.033 1364 I HN 0.222 nan 8.210 nan 0.000 0.410 1365 N N 0.988 119.613 118.700 -0.124 0.000 2.007 1365 N HA -0.218 4.522 4.740 0.001 0.000 0.197 1365 N C 1.803 177.245 175.510 -0.114 0.000 1.050 1365 N CA 1.860 54.860 53.050 -0.083 0.000 0.856 1365 N CB -0.779 37.683 38.487 -0.041 0.000 1.050 1365 N HN 0.396 nan 8.380 nan 0.000 0.423 1366 L N -0.104 121.038 121.223 -0.136 0.000 2.131 1366 L HA 0.021 4.361 4.340 0.001 0.000 0.210 1366 L C 1.927 178.687 176.870 -0.183 0.000 1.092 1366 L CA 1.428 56.195 54.840 -0.120 0.000 0.759 1366 L CB -0.782 41.239 42.059 -0.064 0.000 0.903 1366 L HN 0.133 nan 8.230 nan 0.000 0.435 1367 L N -0.398 120.616 121.223 -0.349 0.000 2.044 1367 L HA -0.032 4.309 4.340 0.001 0.000 0.205 1367 L C 2.423 179.204 176.870 -0.149 0.000 1.075 1367 L CA 1.977 56.607 54.840 -0.351 0.000 0.747 1367 L CB -0.963 40.659 42.059 -0.728 0.000 0.903 1367 L HN 0.338 nan 8.230 nan 0.000 0.435 1368 S N 0.562 116.199 115.700 -0.105 0.000 2.359 1368 S HA -0.169 4.301 4.470 0.001 0.000 0.224 1368 S C 1.725 176.299 174.600 -0.044 0.000 1.035 1368 S CA 1.533 59.720 58.200 -0.021 0.000 1.018 1368 S CB -0.655 62.542 63.200 -0.005 0.000 0.876 1368 S HN 0.552 nan 8.310 nan 0.000 0.448 1369 N N 1.168 119.831 118.700 -0.062 0.000 2.166 1369 N HA -0.040 4.701 4.740 0.001 0.000 0.186 1369 N C 1.653 177.126 175.510 -0.061 0.000 1.019 1369 N CA 0.732 53.748 53.050 -0.057 0.000 0.856 1369 N CB -0.735 37.719 38.487 -0.055 0.000 0.993 1369 N HN 0.200 nan 8.380 nan 0.000 0.426 1370 V N 1.325 121.199 119.914 -0.066 0.000 2.307 1370 V HA -0.121 3.999 4.120 0.001 0.000 0.245 1370 V C 2.270 178.339 176.094 -0.042 0.000 1.045 1370 V CA 1.165 63.426 62.300 -0.064 0.000 1.024 1370 V CB -0.436 31.346 31.823 -0.069 0.000 0.651 1370 V HN 0.221 nan 8.190 nan 0.000 0.449 1371 L N -0.769 120.447 121.223 -0.011 0.000 2.093 1371 L HA -0.151 4.190 4.340 0.001 0.000 0.208 1371 L C 2.349 179.220 176.870 0.001 0.000 1.085 1371 L CA 1.512 56.381 54.840 0.047 0.000 0.755 1371 L CB -0.550 41.552 42.059 0.071 0.000 0.904 1371 L HN 0.263 nan 8.230 nan 0.000 0.435 1372 I N 0.171 120.714 120.570 -0.045 0.000 2.179 1372 I HA -0.324 3.846 4.170 0.001 0.000 0.242 1372 I C 2.751 178.816 176.117 -0.086 0.000 1.088 1372 I CA 1.480 62.737 61.300 -0.072 0.000 1.357 1372 I CB -0.286 37.676 38.000 -0.062 0.000 1.051 1372 I HN 0.256 nan 8.210 nan 0.000 0.409 1373 K N 0.823 121.173 120.400 -0.083 0.000 2.097 1373 K HA -0.212 4.109 4.320 0.001 0.000 0.205 1373 K C 2.147 178.662 176.600 -0.142 0.000 1.050 1373 K CA 1.391 57.612 56.287 -0.111 0.000 0.938 1373 K CB -0.004 32.432 32.500 -0.106 0.000 0.718 1373 K HN 0.168 nan 8.250 nan 0.000 0.442 1374 I N 0.659 121.165 120.570 -0.106 0.000 2.333 1374 I HA 0.008 4.178 4.170 0.001 0.000 0.246 1374 I C 1.950 178.019 176.117 -0.081 0.000 1.106 1374 I CA 1.369 62.601 61.300 -0.112 0.000 1.411 1374 I CB -0.598 37.359 38.000 -0.071 0.000 1.082 1374 I HN 0.193 nan 8.210 nan 0.000 0.420 1375 G N 0.494 109.268 108.800 -0.043 0.000 2.469 1375 G HA2 -0.307 3.653 3.960 0.001 0.000 0.219 1375 G HA3 -0.307 3.653 3.960 0.001 0.000 0.219 1375 G C 1.810 176.490 174.900 -0.366 0.000 1.150 1375 G CA 0.942 45.877 45.100 -0.275 0.000 0.763 1375 G HN 0.386 nan 8.290 nan 0.000 0.561 1376 K N 0.075 120.333 120.400 -0.237 0.000 2.113 1376 K HA -0.114 4.207 4.320 0.001 0.000 0.208 1376 K C 2.209 178.679 176.600 -0.217 0.000 1.047 1376 K CA 1.520 57.682 56.287 -0.207 0.000 0.928 1376 K CB -0.198 32.205 32.500 -0.162 0.000 0.716 1376 K HN 0.378 nan 8.250 nan 0.000 0.446 1377 N N -0.436 118.108 118.700 -0.261 0.000 2.424 1377 N HA -0.073 4.667 4.740 0.001 0.000 0.178 1377 N C 1.116 176.510 175.510 -0.193 0.000 1.060 1377 N CA 0.622 53.472 53.050 -0.334 0.000 0.901 1377 N CB 0.688 38.771 38.487 -0.672 0.000 0.979 1377 N HN 0.048 nan 8.380 nan 0.000 0.451 1378 V N -1.882 117.956 119.914 -0.126 0.000 3.451 1378 V HA 0.134 4.254 4.120 0.001 0.000 0.288 1378 V C 1.621 177.712 176.094 -0.005 0.000 1.502 1378 V CA -0.143 62.191 62.300 0.057 0.000 1.026 1378 V CB 0.258 32.227 31.823 0.242 0.000 0.840 1378 V HN 0.038 nan 8.190 nan 0.000 0.437 1379 Q N 2.769 122.380 119.800 -0.315 0.000 2.297 1379 Q HA -0.211 4.129 4.340 0.001 0.000 0.208 1379 Q C 1.459 177.455 176.000 -0.006 0.000 0.981 1379 Q CA 2.356 57.895 55.803 -0.439 0.000 0.876 1379 Q CB -1.047 27.355 28.738 -0.560 0.000 0.921 1379 Q HN 0.802 nan 8.270 nan 0.000 0.446 1380 D N -0.344 120.076 120.400 0.034 0.000 2.363 1380 D HA -0.032 4.608 4.640 0.001 0.000 0.220 1380 D C -0.076 176.316 176.300 0.154 0.000 0.994 1380 D CA 0.437 54.491 54.000 0.091 0.000 0.890 1380 D CB 0.072 40.914 40.800 0.070 0.000 0.906 1380 D HN 0.185 nan 8.370 nan 0.000 0.530 1381 S N 0.112 115.940 115.700 0.214 0.000 2.437 1381 S HA 0.146 4.616 4.470 0.001 0.000 0.305 1381 S C 0.637 175.409 174.600 0.287 0.000 1.109 1381 S CA -0.659 57.705 58.200 0.272 0.000 1.099 1381 S CB 1.601 65.003 63.200 0.338 0.000 1.004 1381 S HN 0.011 nan 8.310 nan 0.000 0.475 1382 E N 3.372 123.677 120.200 0.175 0.000 2.502 1382 E HA 0.001 4.351 4.350 0.001 0.000 0.194 1382 E C 0.123 176.707 176.600 -0.027 0.000 1.062 1382 E CA 0.547 56.976 56.400 0.048 0.000 0.867 1382 E CB 0.069 29.702 29.700 -0.112 0.000 0.888 1382 E HN 0.760 nan 8.360 nan 0.000 0.510 1383 F N -0.013 120.071 119.950 0.223 0.000 2.317 1383 F HA -0.001 4.526 4.527 0.001 0.000 0.290 1383 F C 2.014 178.001 175.800 0.312 0.000 1.075 1383 F CA 0.323 58.458 58.000 0.225 0.000 1.380 1383 F CB 0.161 39.258 39.000 0.161 0.000 1.093 1383 F HN -0.000 nan 8.300 nan 0.000 0.524 1384 I N -1.502 119.405 120.570 0.561 0.000 2.716 1384 I HA -0.113 4.058 4.170 0.001 0.000 0.259 1384 I C 0.368 176.928 176.117 0.737 0.000 1.172 1384 I CA 1.065 62.742 61.300 0.628 0.000 1.478 1384 I CB -1.006 37.342 38.000 0.581 0.000 1.104 1384 I HN 0.003 nan 8.210 nan 0.000 0.439 1385 F N 4.088 124.263 119.950 0.374 0.000 2.471 1385 F HA 0.445 4.972 4.527 0.000 0.000 0.318 1385 F C -2.388 173.511 175.800 0.165 0.000 1.308 1385 F CA -2.996 55.157 58.000 0.256 0.000 1.162 1385 F CB 0.454 39.597 39.000 0.239 0.000 1.383 1385 F HN -0.139 nan 8.300 nan 0.000 0.552 1386 P HA 0.214 nan 4.420 nan 0.000 0.268 1386 P C 1.203 178.443 177.300 -0.100 0.000 1.541 1386 P CA 0.268 63.391 63.100 0.039 0.000 1.093 1386 P CB 0.278 32.089 31.700 0.184 0.000 1.551 1387 I N 1.368 121.872 120.570 -0.110 0.000 2.208 1387 I HA -0.285 3.885 4.170 0.001 0.000 0.245 1387 I C 1.998 178.036 176.117 -0.132 0.000 1.097 1387 I CA 1.482 62.667 61.300 -0.191 0.000 1.363 1387 I CB -0.475 37.466 38.000 -0.097 0.000 1.051 1387 I HN 0.165 nan 8.210 nan 0.000 0.413 1388 F N 1.965 121.822 119.950 -0.155 0.000 2.126 1388 F HA -0.263 4.265 4.527 0.001 0.000 0.299 1388 F C 2.311 178.068 175.800 -0.072 0.000 1.096 1388 F CA 1.972 59.893 58.000 -0.132 0.000 1.255 1388 F CB -0.045 38.892 39.000 -0.104 0.000 0.997 1388 F HN 0.013 nan 8.300 nan 0.000 0.479 1389 E N 0.089 120.333 120.200 0.075 0.000 2.086 1389 E HA -0.052 4.299 4.350 0.001 0.000 0.190 1389 E C 2.325 178.891 176.600 -0.056 0.000 0.975 1389 E CA 0.761 57.189 56.400 0.047 0.000 0.813 1389 E CB -0.468 29.370 29.700 0.230 0.000 0.768 1389 E HN 0.378 nan 8.360 nan 0.000 0.457 1390 L N -0.118 121.030 121.223 -0.125 0.000 2.042 1390 L HA -0.170 4.171 4.340 0.001 0.000 0.210 1390 L C 2.175 179.005 176.870 -0.068 0.000 1.076 1390 L CA 1.130 55.854 54.840 -0.193 0.000 0.749 1390 L CB -0.267 41.538 42.059 -0.424 0.000 0.893 1390 L HN 0.178 nan 8.230 nan 0.000 0.432 1391 F N 1.336 121.103 119.950 -0.304 0.000 2.046 1391 F HA -0.150 4.378 4.527 0.000 0.000 0.297 1391 F C -0.466 175.212 175.800 -0.204 0.000 1.123 1391 F CA 1.664 59.429 58.000 -0.392 0.000 1.199 1391 F CB -1.481 37.064 39.000 -0.759 0.000 0.972 1391 F HN 0.034 nan 8.300 nan 0.000 0.474 1392 P HA -0.216 nan 4.420 nan 0.000 0.217 1392 P C 2.047 179.318 177.300 -0.048 0.000 1.148 1392 P CA 1.851 64.969 63.100 0.030 0.000 0.828 1392 P CB -0.192 31.549 31.700 0.068 0.000 0.783 1393 I N -1.457 119.061 120.570 -0.087 0.000 2.315 1393 I HA -0.160 4.010 4.170 0.001 0.000 0.248 1393 I C 2.034 178.023 176.117 -0.213 0.000 1.117 1393 I CA 1.244 62.478 61.300 -0.110 0.000 1.404 1393 I CB -0.430 37.518 38.000 -0.086 0.000 1.071 1393 I HN -0.154 nan 8.210 nan 0.000 0.419 1394 V N 0.210 119.989 119.914 -0.226 0.000 2.427 1394 V HA -0.271 3.849 4.120 0.001 0.000 0.248 1394 V C 2.578 178.708 176.094 0.059 0.000 1.051 1394 V CA 1.434 63.650 62.300 -0.140 0.000 1.048 1394 V CB -0.565 31.251 31.823 -0.011 0.000 0.666 1394 V HN 0.532 nan 8.190 nan 0.000 0.456 1395 C N 0.494 119.715 119.300 -0.131 0.000 2.436 1395 C HA -0.171 4.289 4.460 0.001 0.000 0.277 1395 C C 2.597 177.693 174.990 0.177 0.000 1.241 1395 C CA 1.586 60.587 59.018 -0.028 0.000 1.721 1395 C CB -1.581 26.111 27.740 -0.080 0.000 2.043 1395 C HN 0.675 nan 8.230 nan 0.000 0.472 1396 N N 0.204 118.954 118.700 0.083 0.000 2.058 1396 N HA -0.178 4.562 4.740 0.001 0.000 0.191 1396 N C 1.621 177.225 175.510 0.156 0.000 1.037 1396 N CA 1.511 54.618 53.050 0.097 0.000 0.848 1396 N CB -0.391 38.121 38.487 0.043 0.000 1.021 1396 N HN 0.487 nan 8.380 nan 0.000 0.422 1397 F N 1.128 121.057 119.950 -0.034 0.000 2.120 1397 F HA -0.223 4.305 4.527 0.001 0.000 0.300 1397 F C 1.748 177.578 175.800 0.050 0.000 1.095 1397 F CA 1.400 59.364 58.000 -0.060 0.000 1.249 1397 F CB -0.376 38.426 39.000 -0.329 0.000 0.995 1397 F HN -0.042 nan 8.300 nan 0.000 0.480 1398 F N -0.673 119.285 119.950 0.013 0.000 2.046 1398 F HA -0.258 4.269 4.527 0.000 0.000 0.297 1398 F C 2.287 178.000 175.800 -0.144 0.000 1.123 1398 F CA 2.199 60.158 58.000 -0.069 0.000 1.199 1398 F CB -1.230 37.752 39.000 -0.029 0.000 0.972 1398 F HN -0.052 nan 8.300 nan 0.000 0.474 1399 Y N -0.314 120.052 120.300 0.110 0.000 2.373 1399 Y HA -0.130 4.420 4.550 0.000 0.000 0.293 1399 Y C 2.232 178.114 175.900 -0.031 0.000 1.129 1399 Y CA 1.088 59.209 58.100 0.035 0.000 1.226 1399 Y CB -0.496 37.976 38.460 0.019 0.000 1.000 1399 Y HN 0.138 nan 8.280 nan 0.000 0.549 1400 E N -0.937 119.297 120.200 0.056 0.000 2.274 1400 E HA -0.115 4.236 4.350 0.001 0.000 0.194 1400 E C 1.613 178.147 176.600 -0.110 0.000 0.996 1400 E CA 1.479 57.862 56.400 -0.028 0.000 0.840 1400 E CB 0.006 29.679 29.700 -0.045 0.000 0.772 1400 E HN 0.403 nan 8.360 nan 0.000 0.491 1401 T N 0.337 114.767 114.554 -0.206 0.000 3.021 1401 T HA 0.158 4.509 4.350 0.001 0.000 0.245 1401 T C 0.747 175.399 174.700 -0.081 0.000 1.028 1401 T CA 0.288 62.251 62.100 -0.228 0.000 1.139 1401 T CB 0.359 68.943 68.868 -0.472 0.000 0.884 1401 T HN -0.073 nan 8.240 nan 0.000 0.457 1402 L N 1.525 122.694 121.223 -0.090 0.000 2.330 1402 L HA 0.469 4.810 4.340 0.001 0.000 0.271 1402 L C -2.602 174.250 176.870 -0.030 0.000 1.013 1402 L CA -2.804 52.027 54.840 -0.015 0.000 0.816 1402 L CB 0.951 42.989 42.059 -0.035 0.000 1.287 1402 L HN -0.171 nan 8.230 nan 0.000 0.435 1403 P HA 0.025 nan 4.420 nan 0.000 0.260 1403 P C -0.050 177.162 177.300 -0.146 0.000 1.185 1403 P CA 0.075 63.111 63.100 -0.107 0.000 0.763 1403 P CB 0.389 31.924 31.700 -0.275 0.000 0.776 1404 K N 3.385 123.731 120.400 -0.089 0.000 2.127 1404 K HA -0.270 4.051 4.320 0.001 0.000 0.212 1404 K C 1.614 178.167 176.600 -0.078 0.000 1.050 1404 K CA 1.866 58.125 56.287 -0.046 0.000 0.929 1404 K CB -0.272 32.287 32.500 0.099 0.000 0.715 1404 K HN 0.609 nan 8.250 nan 0.000 0.457 1405 E N 1.042 121.161 120.200 -0.136 0.000 2.418 1405 E HA -0.182 4.168 4.350 0.001 0.000 0.197 1405 E C 0.831 177.398 176.600 -0.054 0.000 1.026 1405 E CA 1.286 57.617 56.400 -0.115 0.000 0.862 1405 E CB -0.272 29.333 29.700 -0.159 0.000 0.799 1405 E HN 0.640 nan 8.360 nan 0.000 0.518 1406 H N 0.171 119.230 119.070 -0.018 0.000 2.551 1406 H HA 0.335 4.891 4.556 0.000 0.000 0.271 1406 H C 0.219 175.528 175.328 -0.031 0.000 0.984 1406 H CA -0.372 55.669 56.048 -0.012 0.000 1.164 1406 H CB 0.458 30.222 29.762 0.003 0.000 1.437 1406 H HN 0.043 nan 8.280 nan 0.000 0.550 1407 I N 2.607 123.188 120.570 0.019 0.000 2.310 1407 I HA 0.095 4.266 4.170 0.001 0.000 0.287 1407 I C -0.267 175.839 176.117 -0.019 0.000 1.073 1407 I CA -0.602 60.665 61.300 -0.055 0.000 1.216 1407 I CB 0.962 38.774 38.000 -0.314 0.000 1.415 1407 I HN -0.075 nan 8.210 nan 0.000 0.480 1408 V N 4.416 124.326 119.914 -0.008 0.000 2.740 1408 V HA 0.041 4.161 4.120 0.001 0.000 0.303 1408 V C 0.944 177.000 176.094 -0.064 0.000 1.054 1408 V CA -0.265 62.029 62.300 -0.010 0.000 1.106 1408 V CB 0.913 32.731 31.823 -0.009 0.000 0.957 1408 V HN 0.695 nan 8.190 nan 0.000 0.486 1409 S N 3.055 118.747 115.700 -0.013 0.000 2.549 1409 S HA 0.415 4.886 4.470 0.001 0.000 0.286 1409 S C 1.312 175.756 174.600 -0.261 0.000 1.314 1409 S CA 0.544 58.730 58.200 -0.023 0.000 1.062 1409 S CB 0.646 63.910 63.200 0.107 0.000 0.865 1409 S HN 1.600 nan 8.310 nan 0.000 0.498 1410 G N 2.217 110.793 108.800 -0.373 0.000 2.213 1410 G HA2 -0.306 3.654 3.960 0.001 0.000 0.236 1410 G HA3 -0.306 3.654 3.960 0.001 0.000 0.236 1410 G C 1.164 175.544 174.900 -0.867 0.000 0.991 1410 G CA 0.389 44.898 45.100 -0.984 0.000 0.629 1410 G HN 0.638 nan 8.290 nan 0.000 0.517 1411 S N 0.243 115.617 115.700 -0.544 0.000 2.387 1411 S HA -0.127 4.343 4.470 0.001 0.000 0.230 1411 S C 2.251 176.570 174.600 -0.469 0.000 1.035 1411 S CA 1.819 59.762 58.200 -0.428 0.000 1.014 1411 S CB -0.185 62.818 63.200 -0.328 0.000 0.836 1411 S HN 0.528 nan 8.310 nan 0.000 0.466 1412 I N -0.071 120.190 120.570 -0.515 0.000 2.339 1412 I HA 0.016 4.186 4.170 0.001 0.000 0.245 1412 I C 2.245 178.367 176.117 0.008 0.000 1.096 1412 I CA 0.520 61.552 61.300 -0.447 0.000 1.408 1412 I CB -0.546 37.087 38.000 -0.612 0.000 1.092 1412 I HN 0.121 nan 8.210 nan 0.000 0.423 1413 V N 0.383 120.352 119.914 0.091 0.000 2.515 1413 V HA -0.211 3.909 4.120 0.001 0.000 0.250 1413 V C 2.654 178.843 176.094 0.159 0.000 1.058 1413 V CA 2.084 64.569 62.300 0.309 0.000 1.064 1413 V CB -0.402 31.545 31.823 0.206 0.000 0.675 1413 V HN 0.658 nan 8.190 nan 0.000 0.461 1414 S N -0.139 115.476 115.700 -0.141 0.000 2.419 1414 S HA -0.164 4.306 4.470 0.001 0.000 0.233 1414 S C 1.875 176.479 174.600 0.007 0.000 1.016 1414 S CA 1.747 59.886 58.200 -0.102 0.000 0.974 1414 S CB -0.735 62.255 63.200 -0.350 0.000 0.786 1414 S HN 0.625 nan 8.310 nan 0.000 0.492 1415 I N 0.103 120.676 120.570 0.006 0.000 2.208 1415 I HA -0.143 4.027 4.170 0.001 0.000 0.245 1415 I C 2.118 178.212 176.117 -0.037 0.000 1.097 1415 I CA 1.557 62.835 61.300 -0.038 0.000 1.363 1415 I CB -0.522 37.415 38.000 -0.105 0.000 1.051 1415 I HN 0.239 nan 8.210 nan 0.000 0.413 1416 F N 0.266 120.260 119.950 0.073 0.000 2.206 1416 F HA -0.134 4.394 4.527 0.000 0.000 0.298 1416 F C 2.374 178.187 175.800 0.021 0.000 1.090 1416 F CA 0.931 59.007 58.000 0.126 0.000 1.323 1416 F CB -0.397 38.697 39.000 0.156 0.000 1.028 1416 F HN -0.069 nan 8.300 nan 0.000 0.492 1417 I N -0.136 120.502 120.570 0.114 0.000 2.179 1417 I HA -0.231 3.939 4.170 0.001 0.000 0.242 1417 I C 2.269 178.371 176.117 -0.025 0.000 1.088 1417 I CA 1.594 62.843 61.300 -0.085 0.000 1.357 1417 I CB -1.800 36.043 38.000 -0.262 0.000 1.051 1417 I HN 0.128 nan 8.210 nan 0.000 0.409 1418 T N 1.274 115.834 114.554 0.009 0.000 2.915 1418 T HA -0.022 4.328 4.350 0.001 0.000 0.269 1418 T C 1.983 176.671 174.700 -0.020 0.000 1.071 1418 T CA 1.146 63.250 62.100 0.007 0.000 1.132 1418 T CB -0.210 68.665 68.868 0.011 0.000 0.878 1418 T HN 0.430 nan 8.240 nan 0.000 0.479 1419 A N 0.647 123.450 122.820 -0.030 0.000 2.015 1419 A HA 0.380 4.701 4.320 0.001 0.000 0.219 1419 A C 2.085 179.621 177.584 -0.080 0.000 1.163 1419 A CA 1.482 53.469 52.037 -0.084 0.000 0.646 1419 A CB -0.626 18.297 19.000 -0.129 0.000 0.806 1419 A HN 0.744 nan 8.150 nan 0.000 0.448 1420 G N -2.739 106.055 108.800 -0.009 0.000 2.227 1420 G HA2 -0.080 3.880 3.960 0.001 0.000 0.168 1420 G HA3 -0.080 3.880 3.960 0.001 0.000 0.168 1420 G C 0.046 175.036 174.900 0.150 0.000 1.006 1420 G CA -0.114 45.002 45.100 0.028 0.000 0.684 1420 G HN 0.672 nan 8.290 nan 0.000 0.489 1421 V N 2.718 122.714 119.914 0.137 0.000 2.585 1421 V HA 0.469 4.590 4.120 0.001 0.000 0.296 1421 V C 1.490 177.621 176.094 0.062 0.000 1.035 1421 V CA 0.349 62.748 62.300 0.165 0.000 1.084 1421 V CB 1.251 33.197 31.823 0.205 0.000 0.953 1421 V HN 1.026 nan 8.190 nan 0.000 0.483 1422 S N 4.274 119.965 115.700 -0.016 0.000 2.568 1422 S HA 0.170 4.640 4.470 0.001 0.000 0.282 1422 S C 0.794 175.209 174.600 -0.307 0.000 1.338 1422 S CA -0.073 57.872 58.200 -0.425 0.000 1.045 1422 S CB 0.088 62.899 63.200 -0.649 0.000 0.873 1422 S HN 0.444 nan 8.310 nan 0.000 0.516 1423 F N 1.944 121.549 119.950 -0.574 0.000 2.161 1423 F HA -0.153 4.374 4.527 0.001 0.000 0.300 1423 F C 2.497 177.891 175.800 -0.678 0.000 1.089 1423 F CA 1.879 59.434 58.000 -0.742 0.000 1.282 1423 F CB -0.467 37.665 39.000 -1.447 0.000 1.010 1423 F HN 0.673 nan 8.300 nan 0.000 0.485 1424 N N 0.492 118.981 118.700 -0.351 0.000 2.025 1424 N HA -0.264 4.476 4.740 0.001 0.000 0.194 1424 N C 1.946 177.530 175.510 0.123 0.000 1.044 1424 N CA 1.634 54.684 53.050 -0.001 0.000 0.851 1424 N CB -0.543 38.053 38.487 0.183 0.000 1.036 1424 N HN 0.287 nan 8.380 nan 0.000 0.422 1425 K N 0.580 121.032 120.400 0.087 0.000 2.103 1425 K HA -0.139 4.181 4.320 0.001 0.000 0.207 1425 K C 2.129 178.749 176.600 0.033 0.000 1.048 1425 K CA 1.152 57.516 56.287 0.128 0.000 0.930 1425 K CB -0.054 32.495 32.500 0.083 0.000 0.716 1425 K HN -0.027 nan 8.250 nan 0.000 0.444 1426 M N 0.190 119.745 119.600 -0.075 0.000 2.117 1426 M HA -0.141 4.339 4.480 0.001 0.000 0.262 1426 M C 1.855 178.040 176.300 -0.192 0.000 1.065 1426 M CA 1.436 56.619 55.300 -0.195 0.000 1.114 1426 M CB -0.668 31.784 32.600 -0.247 0.000 1.361 1426 M HN 0.306 nan 8.290 nan 0.000 0.408 1427 Y N -0.532 119.644 120.300 -0.205 0.000 2.097 1427 Y HA -0.311 4.240 4.550 0.000 0.000 0.282 1427 Y C 1.829 177.626 175.900 -0.172 0.000 1.152 1427 Y CA 1.991 59.982 58.100 -0.181 0.000 1.136 1427 Y CB -0.832 37.581 38.460 -0.078 0.000 0.975 1427 Y HN 0.270 nan 8.280 nan 0.000 0.498 1428 Y N -0.083 120.123 120.300 -0.157 0.000 2.242 1428 Y HA -0.191 4.359 4.550 0.001 0.000 0.291 1428 Y C 2.545 178.306 175.900 -0.233 0.000 1.137 1428 Y CA 1.552 59.508 58.100 -0.240 0.000 1.181 1428 Y CB -0.655 37.794 38.460 -0.019 0.000 0.989 1428 Y HN 0.158 nan 8.280 nan 0.000 0.527 1429 I N -1.145 119.392 120.570 -0.056 0.000 2.202 1429 I HA -0.272 3.898 4.170 0.001 0.000 0.242 1429 I C 2.197 178.146 176.117 -0.279 0.000 1.091 1429 I CA 0.956 62.193 61.300 -0.104 0.000 1.368 1429 I CB -0.314 37.593 38.000 -0.154 0.000 1.058 1429 I HN 0.187 nan 8.210 nan 0.000 0.410 1430 L N 1.104 122.041 121.223 -0.476 0.000 2.141 1430 L HA -0.182 4.159 4.340 0.001 0.000 0.209 1430 L C 2.363 178.980 176.870 -0.422 0.000 1.094 1430 L CA 1.793 56.254 54.840 -0.630 0.000 0.763 1430 L CB -0.814 40.833 42.059 -0.685 0.000 0.908 1430 L HN 0.109 nan 8.230 nan 0.000 0.437 1431 K N -0.493 119.671 120.400 -0.392 0.000 2.057 1431 K HA -0.243 4.078 4.320 0.001 0.000 0.206 1431 K C 2.092 178.641 176.600 -0.085 0.000 1.050 1431 K CA 1.671 57.795 56.287 -0.272 0.000 0.935 1431 K CB -0.089 32.145 32.500 -0.443 0.000 0.715 1431 K HN 0.499 nan 8.250 nan 0.000 0.439 1432 E N 0.699 120.869 120.200 -0.050 0.000 2.051 1432 E HA -0.193 4.157 4.350 0.001 0.000 0.192 1432 E C 2.124 178.796 176.600 0.121 0.000 0.991 1432 E CA 1.060 57.502 56.400 0.069 0.000 0.799 1432 E CB -0.099 29.675 29.700 0.124 0.000 0.748 1432 E HN 0.307 nan 8.360 nan 0.000 0.449 1433 L N 0.718 121.961 121.223 0.034 0.000 2.081 1433 L HA -0.227 4.113 4.340 0.001 0.000 0.212 1433 L C 2.535 179.484 176.870 0.132 0.000 1.080 1433 L CA 1.066 55.874 54.840 -0.054 0.000 0.754 1433 L CB -0.315 41.431 42.059 -0.523 0.000 0.893 1433 L HN 0.312 nan 8.230 nan 0.000 0.433 1434 I N -0.141 120.491 120.570 0.104 0.000 2.202 1434 I HA -0.258 3.912 4.170 0.001 0.000 0.242 1434 I C 2.415 178.640 176.117 0.180 0.000 1.091 1434 I CA 1.492 62.938 61.300 0.242 0.000 1.368 1434 I CB -0.257 37.872 38.000 0.215 0.000 1.058 1434 I HN 0.389 nan 8.210 nan 0.000 0.410 1435 E N -0.443 119.838 120.200 0.135 0.000 2.502 1435 E HA -0.070 4.280 4.350 0.001 0.000 0.194 1435 E C 1.460 178.119 176.600 0.099 0.000 1.062 1435 E CA 0.661 57.126 56.400 0.108 0.000 0.867 1435 E CB -0.116 29.639 29.700 0.091 0.000 0.888 1435 E HN 0.231 nan 8.360 nan 0.000 0.510 1436 T N 0.599 115.228 114.554 0.126 0.000 3.044 1436 T HA 0.021 4.371 4.350 0.001 0.000 0.250 1436 T C 0.543 175.315 174.700 0.120 0.000 1.081 1436 T CA 0.463 62.642 62.100 0.131 0.000 1.040 1436 T CB 0.334 69.321 68.868 0.199 0.000 0.962 1436 T HN 0.317 nan 8.240 nan 0.000 0.506 1437 S N 0.700 116.471 115.700 0.119 0.000 2.565 1437 S HA 0.445 4.915 4.470 0.001 0.000 0.290 1437 S C -0.410 174.214 174.600 0.041 0.000 1.150 1437 S CA -0.810 57.438 58.200 0.079 0.000 1.058 1437 S CB 1.465 64.708 63.200 0.072 0.000 1.032 1437 S HN -0.013 nan 8.310 nan 0.000 0.510 1438 D N 1.228 121.637 120.400 0.015 0.000 2.424 1438 D HA 0.199 4.839 4.640 0.001 0.000 0.220 1438 D C 0.737 177.024 176.300 -0.021 0.000 1.150 1438 D CA 0.090 54.092 54.000 0.003 0.000 0.831 1438 D CB 0.450 41.255 40.800 0.007 0.000 0.981 1438 D HN 0.619 nan 8.370 nan 0.000 0.500 1439 S N -0.664 115.007 115.700 -0.048 0.000 2.718 1439 S HA 0.249 4.720 4.470 0.001 0.000 0.292 1439 S C 0.962 175.504 174.600 -0.096 0.000 1.125 1439 S CA -0.518 57.632 58.200 -0.085 0.000 1.013 1439 S CB 1.928 65.049 63.200 -0.133 0.000 1.192 1439 S HN -0.310 nan 8.310 nan 0.000 0.535 1440 D N 1.277 121.604 120.400 -0.121 0.000 2.137 1440 D HA -0.081 4.559 4.640 0.001 0.000 0.189 1440 D C 0.417 176.650 176.300 -0.112 0.000 0.998 1440 D CA 2.222 56.157 54.000 -0.108 0.000 0.839 1440 D CB -0.469 40.256 40.800 -0.125 0.000 0.962 1440 D HN 0.685 nan 8.370 nan 0.000 0.446 1441 N N -2.129 116.436 118.700 -0.226 0.000 2.948 1441 N HA -0.203 4.538 4.740 0.001 0.000 0.239 1441 N C 1.108 176.577 175.510 -0.069 0.000 0.954 1441 N CA 1.059 53.976 53.050 -0.223 0.000 0.941 1441 N CB -1.783 36.701 38.487 -0.004 0.000 1.101 1441 N HN 0.302 nan 8.380 nan 0.000 0.579 1442 S N -0.753 114.894 115.700 -0.087 0.000 2.383 1442 S HA -0.126 4.345 4.470 0.001 0.000 0.229 1442 S C 1.862 176.464 174.600 0.005 0.000 1.030 1442 S CA 1.666 59.855 58.200 -0.018 0.000 1.002 1442 S CB -0.504 62.672 63.200 -0.039 0.000 0.829 1442 S HN 0.177 nan 8.310 nan 0.000 0.467 1443 V N 0.974 120.833 119.914 -0.093 0.000 2.307 1443 V HA -0.081 4.040 4.120 0.001 0.000 0.245 1443 V C 2.424 178.650 176.094 0.220 0.000 1.045 1443 V CA 1.744 64.020 62.300 -0.039 0.000 1.024 1443 V CB -1.029 30.632 31.823 -0.271 0.000 0.651 1443 V HN 0.406 nan 8.190 nan 0.000 0.449 1444 F N 1.340 121.299 119.950 0.014 0.000 2.126 1444 F HA -0.174 4.354 4.527 0.001 0.000 0.299 1444 F C 2.239 178.076 175.800 0.062 0.000 1.096 1444 F CA 1.588 59.629 58.000 0.067 0.000 1.255 1444 F CB -1.561 37.460 39.000 0.035 0.000 0.997 1444 F HN 0.316 nan 8.300 nan 0.000 0.479 1445 N N -0.108 118.766 118.700 0.291 0.000 2.188 1445 N HA -0.153 4.587 4.740 0.001 0.000 0.184 1445 N C 1.723 177.367 175.510 0.224 0.000 1.018 1445 N CA 0.969 54.173 53.050 0.258 0.000 0.858 1445 N CB -0.099 38.535 38.487 0.245 0.000 0.989 1445 N HN 0.265 nan 8.380 nan 0.000 0.426 1446 K N 0.861 121.378 120.400 0.195 0.000 2.002 1446 K HA -0.099 4.222 4.320 0.001 0.000 0.209 1446 K C 1.705 178.434 176.600 0.215 0.000 1.048 1446 K CA 0.929 57.330 56.287 0.190 0.000 0.930 1446 K CB 0.001 32.594 32.500 0.156 0.000 0.714 1446 K HN 0.147 nan 8.250 nan 0.000 0.438 1447 E N 0.899 121.220 120.200 0.201 0.000 2.049 1447 E HA -0.240 4.110 4.350 0.001 0.000 0.198 1447 E C 1.951 178.685 176.600 0.225 0.000 1.007 1447 E CA 1.381 57.906 56.400 0.208 0.000 0.809 1447 E CB -0.331 29.521 29.700 0.254 0.000 0.749 1447 E HN 0.195 nan 8.360 nan 0.000 0.450 1448 M N 0.776 120.434 119.600 0.097 0.000 2.108 1448 M HA -0.135 4.345 4.480 0.001 0.000 0.261 1448 M C 2.054 178.421 176.300 0.113 0.000 1.066 1448 M CA 1.773 57.056 55.300 -0.028 0.000 1.107 1448 M CB -0.716 31.667 32.600 -0.362 0.000 1.356 1448 M HN 0.000 nan 8.290 nan 0.000 0.406 1449 T N -0.926 113.760 114.554 0.220 0.000 2.746 1449 T HA -0.210 4.140 4.350 0.001 0.000 0.267 1449 T C 1.217 176.154 174.700 0.396 0.000 1.039 1449 T CA 1.771 64.069 62.100 0.329 0.000 1.142 1449 T CB -0.702 68.361 68.868 0.324 0.000 0.866 1449 T HN 0.742 nan 8.240 nan 0.000 0.444 1450 W N 1.456 122.861 121.300 0.175 0.000 2.363 1450 W HA -0.077 4.584 4.660 0.000 0.000 0.296 1450 W C 1.914 178.549 176.519 0.193 0.000 1.212 1450 W CA 0.611 58.052 57.345 0.160 0.000 1.260 1450 W CB -0.454 29.067 29.460 0.101 0.000 1.131 1450 W HN 0.168 nan 8.180 nan 0.000 0.530 1451 L N 0.824 122.300 121.223 0.420 0.000 2.027 1451 L HA -0.137 4.203 4.340 0.001 0.000 0.206 1451 L C 2.230 179.198 176.870 0.163 0.000 1.074 1451 L CA 2.023 57.026 54.840 0.272 0.000 0.745 1451 L CB -0.924 41.287 42.059 0.253 0.000 0.898 1451 L HN 0.098 nan 8.230 nan 0.000 0.433 1452 I N -1.100 119.566 120.570 0.160 0.000 2.252 1452 I HA -0.306 3.865 4.170 0.001 0.000 0.245 1452 I C 2.348 178.408 176.117 -0.095 0.000 1.102 1452 I CA 1.335 62.680 61.300 0.074 0.000 1.385 1452 I CB -0.521 37.537 38.000 0.097 0.000 1.064 1452 I HN 0.370 nan 8.210 nan 0.000 0.414 1453 H N 0.131 119.154 119.070 -0.080 0.000 2.387 1453 H HA -0.214 4.343 4.556 0.001 0.000 0.299 1453 H C 2.139 177.350 175.328 -0.194 0.000 1.090 1453 H CA 1.691 57.661 56.048 -0.130 0.000 1.332 1453 H CB 0.029 29.702 29.762 -0.149 0.000 1.386 1453 H HN 0.223 nan 8.280 nan 0.000 0.516 1454 E N -0.207 119.842 120.200 -0.252 0.000 2.106 1454 E HA -0.172 4.178 4.350 0.001 0.000 0.192 1454 E C 1.844 178.395 176.600 -0.082 0.000 0.984 1454 E CA 0.928 57.146 56.400 -0.303 0.000 0.806 1454 E CB -0.268 29.013 29.700 -0.699 0.000 0.750 1454 E HN 0.487 nan 8.360 nan 0.000 0.458 1455 W N 0.156 121.225 121.300 -0.386 0.000 2.379 1455 W HA -0.201 4.460 4.660 0.001 0.000 0.307 1455 W C 1.943 177.900 176.519 -0.936 0.000 1.200 1455 W CA 1.466 58.272 57.345 -0.900 0.000 1.297 1455 W CB -1.305 27.495 29.460 -1.100 0.000 1.140 1455 W HN 0.241 nan 8.180 nan 0.000 0.507 1456 Y N 2.357 122.238 120.300 -0.697 0.000 2.097 1456 Y HA -0.309 4.242 4.550 0.001 0.000 0.282 1456 Y C 2.639 178.439 175.900 -0.166 0.000 1.152 1456 Y CA 3.542 61.422 58.100 -0.366 0.000 1.136 1456 Y CB -0.606 37.766 38.460 -0.147 0.000 0.975 1456 Y HN 0.059 nan 8.280 nan 0.000 0.498 1457 K N -1.243 119.175 120.400 0.030 0.000 2.486 1457 K HA 0.053 4.373 4.320 0.001 0.000 0.194 1457 K C 1.265 177.824 176.600 -0.069 0.000 1.033 1457 K CA 1.347 57.643 56.287 0.015 0.000 1.004 1457 K CB -0.007 32.560 32.500 0.113 0.000 0.798 1457 K HN 0.187 nan 8.250 nan 0.000 0.495 1458 S N 0.208 115.837 115.700 -0.118 0.000 2.506 1458 S HA 0.016 4.487 4.470 0.001 0.000 0.219 1458 S C -0.379 174.138 174.600 -0.137 0.000 1.031 1458 S CA -0.164 58.018 58.200 -0.030 0.000 0.911 1458 S CB 0.352 63.610 63.200 0.096 0.000 0.812 1458 S HN 0.352 nan 8.310 nan 0.000 0.497 1459 D N 1.226 121.356 120.400 -0.450 0.000 2.462 1459 D HA 0.283 4.924 4.640 0.001 0.000 0.245 1459 D C 0.763 176.796 176.300 -0.444 0.000 1.122 1459 D CA -0.487 53.068 54.000 -0.743 0.000 0.864 1459 D CB 0.853 40.817 40.800 -1.394 0.000 1.098 1459 D HN -0.077 nan 8.370 nan 0.000 0.541 1460 R N 3.704 124.020 120.500 -0.306 0.000 2.091 1460 R HA -0.178 4.162 4.340 0.001 0.000 0.238 1460 R C 1.696 177.844 176.300 -0.254 0.000 1.136 1460 R CA 1.547 57.497 56.100 -0.250 0.000 0.959 1460 R CB 0.128 30.334 30.300 -0.156 0.000 0.856 1460 R HN 0.338 nan 8.270 nan 0.000 0.437 1461 K N -0.432 119.824 120.400 -0.240 0.000 2.103 1461 K HA -0.204 4.117 4.320 0.001 0.000 0.207 1461 K C 1.886 178.298 176.600 -0.313 0.000 1.048 1461 K CA 1.642 57.796 56.287 -0.221 0.000 0.930 1461 K CB -0.307 32.101 32.500 -0.152 0.000 0.716 1461 K HN 0.204 nan 8.250 nan 0.000 0.444 1462 F N 1.577 121.193 119.950 -0.555 0.000 2.113 1462 F HA -0.087 4.440 4.527 0.000 0.000 0.297 1462 F C 2.110 177.573 175.800 -0.562 0.000 1.103 1462 F CA 1.373 58.943 58.000 -0.717 0.000 1.248 1462 F CB 0.030 38.437 39.000 -0.988 0.000 0.999 1462 F HN -0.054 nan 8.300 nan 0.000 0.475 1463 R N 0.110 120.406 120.500 -0.341 0.000 2.120 1463 R HA -0.160 4.180 4.340 0.001 0.000 0.234 1463 R C 1.579 177.717 176.300 -0.271 0.000 1.123 1463 R CA 1.437 57.305 56.100 -0.386 0.000 0.975 1463 R CB -0.684 29.291 30.300 -0.542 0.000 0.866 1463 R HN 0.290 nan 8.270 nan 0.000 0.446 1464 D N 0.739 120.973 120.400 -0.277 0.000 2.311 1464 D HA -0.126 4.514 4.640 0.001 0.000 0.212 1464 D C 1.731 177.877 176.300 -0.256 0.000 0.972 1464 D CA 1.043 54.913 54.000 -0.217 0.000 0.887 1464 D CB 0.069 40.758 40.800 -0.185 0.000 0.915 1464 D HN 0.477 nan 8.370 nan 0.000 0.497 1465 I N -3.479 116.833 120.570 -0.431 0.000 4.139 1465 I HA 0.246 4.416 4.170 0.001 0.000 0.320 1465 I C 0.216 176.024 176.117 -0.514 0.000 1.290 1465 I CA 0.020 60.971 61.300 -0.582 0.000 1.253 1465 I CB 0.779 38.083 38.000 -1.159 0.000 1.122 1465 I HN -0.292 nan 8.210 nan 0.000 0.421 1466 I N 1.964 122.262 120.570 -0.452 0.000 2.582 1466 I HA 0.295 4.465 4.170 0.001 0.000 0.292 1466 I C 0.135 176.250 176.117 -0.004 0.000 1.066 1466 I CA -0.777 60.365 61.300 -0.263 0.000 1.053 1466 I CB 2.370 40.128 38.000 -0.402 0.000 1.241 1466 I HN 0.168 nan 8.210 nan 0.000 0.421 1467 S N 4.202 119.911 115.700 0.014 0.000 2.632 1467 S HA 0.155 4.626 4.470 0.001 0.000 0.267 1467 S C 0.923 175.578 174.600 0.092 0.000 1.276 1467 S CA -0.230 58.026 58.200 0.094 0.000 0.998 1467 S CB 0.811 64.043 63.200 0.055 0.000 0.953 1467 S HN 0.674 nan 8.310 nan 0.000 0.547 1468 Y N 2.103 122.429 120.300 0.042 0.000 2.256 1468 Y HA -0.163 4.387 4.550 0.000 0.000 0.288 1468 Y C 1.937 177.744 175.900 -0.155 0.000 1.155 1468 Y CA 2.171 60.228 58.100 -0.072 0.000 1.203 1468 Y CB -0.496 37.978 38.460 0.024 0.000 0.980 1468 Y HN 0.709 nan 8.280 nan 0.000 0.530 1469 N N 0.039 118.628 118.700 -0.185 0.000 2.250 1469 N HA -0.135 4.606 4.740 0.001 0.000 0.181 1469 N C 1.052 176.417 175.510 -0.242 0.000 1.017 1469 N CA 1.372 54.239 53.050 -0.304 0.000 0.866 1469 N CB -0.289 38.151 38.487 -0.078 0.000 0.985 1469 N HN 0.423 nan 8.380 nan 0.000 0.429 1470 D N 0.947 121.319 120.400 -0.046 0.000 2.264 1470 D HA -0.064 4.576 4.640 0.001 0.000 0.208 1470 D C 1.775 178.051 176.300 -0.040 0.000 0.966 1470 D CA 0.290 54.345 54.000 0.092 0.000 0.864 1470 D CB 0.045 40.848 40.800 0.005 0.000 0.933 1470 D HN 0.244 nan 8.370 nan 0.000 0.499 1471 I N 0.528 120.933 120.570 -0.275 0.000 2.867 1471 I HA -0.020 4.150 4.170 0.001 0.000 0.265 1471 I C 1.910 177.813 176.117 -0.358 0.000 1.162 1471 I CA 0.323 61.379 61.300 -0.406 0.000 1.471 1471 I CB 0.048 37.591 38.000 -0.761 0.000 1.123 1471 I HN -0.056 nan 8.210 nan 0.000 0.440 1472 I N -2.102 118.196 120.570 -0.455 0.000 2.830 1472 I HA -0.157 4.014 4.170 0.001 0.000 0.263 1472 I C 2.106 178.082 176.117 -0.234 0.000 1.230 1472 I CA 1.051 62.131 61.300 -0.367 0.000 1.480 1472 I CB -1.126 36.516 38.000 -0.596 0.000 1.095 1472 I HN 0.190 nan 8.210 nan 0.000 0.455 1473 H N 1.740 120.734 119.070 -0.126 0.000 2.321 1473 H HA 0.046 4.602 4.556 0.000 0.000 0.300 1473 H C 0.975 176.298 175.328 -0.007 0.000 1.087 1473 H CA 0.671 56.681 56.048 -0.064 0.000 1.319 1473 H CB -0.217 29.503 29.762 -0.070 0.000 1.379 1473 H HN 0.271 nan 8.280 nan 0.000 0.501 1474 L N 2.825 124.127 121.223 0.132 0.000 2.615 1474 L HA -0.071 4.269 4.340 0.001 0.000 0.271 1474 L C 0.981 177.985 176.870 0.222 0.000 1.183 1474 L CA 0.716 55.653 54.840 0.162 0.000 0.933 1474 L CB 0.265 42.393 42.059 0.115 0.000 1.199 1474 L HN 0.052 nan 8.230 nan 0.000 0.487 1475 K N 3.144 123.643 120.400 0.164 0.000 2.424 1475 K HA 0.288 4.608 4.320 0.001 0.000 0.198 1475 K C -0.253 176.433 176.600 0.143 0.000 1.190 1475 K CA 0.085 56.451 56.287 0.133 0.000 0.935 1475 K CB 0.818 33.367 32.500 0.081 0.000 1.087 1475 K HN 0.553 nan 8.250 nan 0.000 0.524 1476 E N 0.507 120.794 120.200 0.146 0.000 2.291 1476 E HA 0.124 4.474 4.350 0.001 0.000 0.276 1476 E C -1.919 174.788 176.600 0.179 0.000 0.896 1476 E CA -0.648 55.849 56.400 0.162 0.000 0.774 1476 E CB 2.005 31.773 29.700 0.112 0.000 1.227 1476 E HN -0.003 nan 8.360 nan 0.000 0.413 1477 Y N 3.219 123.589 120.300 0.116 0.000 2.377 1477 Y HA 0.206 4.757 4.550 0.001 0.000 0.330 1477 Y C -0.583 175.372 175.900 0.091 0.000 1.108 1477 Y CA 0.580 58.748 58.100 0.114 0.000 1.308 1477 Y CB 0.548 39.091 38.460 0.140 0.000 1.216 1477 Y HN 0.308 nan 8.280 nan 0.000 0.518 1478 K N 6.533 126.532 120.400 -0.668 0.000 2.469 1478 K HA 0.320 4.640 4.320 0.001 0.000 0.254 1478 K C 0.486 176.609 176.600 -0.795 0.000 0.939 1478 K CA -0.765 55.201 56.287 -0.535 0.000 0.812 1478 K CB 2.009 34.380 32.500 -0.214 0.000 1.301 1478 K HN 0.708 nan 8.250 nan 0.000 0.433 1479 I N 1.318 121.636 120.570 -0.420 0.000 2.502 1479 I HA -0.325 3.846 4.170 0.001 0.000 0.258 1479 I C 1.339 177.367 176.117 -0.149 0.000 1.172 1479 I CA 1.516 62.695 61.300 -0.202 0.000 1.430 1479 I CB -0.374 37.616 38.000 -0.017 0.000 1.086 1479 I HN 0.690 nan 8.210 nan 0.000 0.440 1480 D N -0.817 119.483 120.400 -0.166 0.000 2.392 1480 D HA -0.063 4.578 4.640 0.001 0.000 0.206 1480 D C 1.229 177.461 176.300 -0.114 0.000 1.046 1480 D CA 0.325 54.264 54.000 -0.102 0.000 0.865 1480 D CB -0.562 40.194 40.800 -0.074 0.000 0.969 1480 D HN 0.235 nan 8.370 nan 0.000 0.509 1481 N N 0.718 119.310 118.700 -0.179 0.000 2.336 1481 N HA -0.012 4.728 4.740 0.001 0.000 0.189 1481 N C -0.167 175.288 175.510 -0.091 0.000 1.113 1481 N CA 0.017 52.988 53.050 -0.132 0.000 0.858 1481 N CB 0.017 38.428 38.487 -0.125 0.000 0.970 1481 N HN 0.126 nan 8.380 nan 0.000 0.471 1482 D N 1.226 121.565 120.400 -0.101 0.000 2.349 1482 D HA 0.034 4.674 4.640 0.001 0.000 0.266 1482 D C -1.549 174.807 176.300 0.095 0.000 1.293 1482 D CA -1.709 52.354 54.000 0.104 0.000 0.926 1482 D CB 1.217 42.156 40.800 0.231 0.000 1.090 1482 D HN 0.100 nan 8.370 nan 0.000 0.502 1483 P HA -0.055 nan 4.420 nan 0.000 0.217 1483 P C 1.734 179.022 177.300 -0.021 0.000 1.150 1483 P CA 0.650 63.753 63.100 0.005 0.000 0.832 1483 P CB 0.366 32.052 31.700 -0.023 0.000 0.787 1484 I N -0.383 120.175 120.570 -0.019 0.000 2.179 1484 I HA -0.252 3.918 4.170 0.001 0.000 0.242 1484 I C 2.529 178.690 176.117 0.073 0.000 1.088 1484 I CA 1.548 62.788 61.300 -0.101 0.000 1.357 1484 I CB -0.575 37.243 38.000 -0.303 0.000 1.051 1484 I HN -0.035 nan 8.210 nan 0.000 0.409 1485 E N 1.729 122.024 120.200 0.159 0.000 2.058 1485 E HA -0.305 4.045 4.350 0.001 0.000 0.194 1485 E C 2.113 178.763 176.600 0.085 0.000 0.997 1485 E CA 1.854 58.350 56.400 0.160 0.000 0.801 1485 E CB -0.206 29.596 29.700 0.169 0.000 0.746 1485 E HN 0.265 nan 8.360 nan 0.000 0.450 1486 K N -0.988 119.445 120.400 0.056 0.000 2.044 1486 K HA -0.270 4.050 4.320 0.001 0.000 0.210 1486 K C 2.314 178.925 176.600 0.017 0.000 1.049 1486 K CA 1.746 58.045 56.287 0.019 0.000 0.927 1486 K CB -0.538 31.962 32.500 0.000 0.000 0.713 1486 K HN 0.318 nan 8.250 nan 0.000 0.443 1487 Y N 0.991 121.236 120.300 -0.092 0.000 2.145 1487 Y HA -0.206 4.344 4.550 0.000 0.000 0.286 1487 Y C 1.879 177.732 175.900 -0.077 0.000 1.145 1487 Y CA 1.540 59.569 58.100 -0.118 0.000 1.148 1487 Y CB -0.342 37.995 38.460 -0.205 0.000 0.981 1487 Y HN -0.132 nan 8.280 nan 0.000 0.507 1488 V N 0.986 120.871 119.914 -0.048 0.000 2.392 1488 V HA -0.329 3.792 4.120 0.001 0.000 0.249 1488 V C 2.182 178.195 176.094 -0.135 0.000 1.059 1488 V CA 2.366 64.611 62.300 -0.093 0.000 1.051 1488 V CB -0.573 31.305 31.823 0.091 0.000 0.658 1488 V HN 0.377 nan 8.190 nan 0.000 0.455 1489 K N -0.187 120.160 120.400 -0.088 0.000 2.283 1489 K HA -0.089 4.231 4.320 0.001 0.000 0.202 1489 K C 1.783 178.310 176.600 -0.121 0.000 1.048 1489 K CA 1.049 57.291 56.287 -0.076 0.000 0.948 1489 K CB -0.110 32.366 32.500 -0.040 0.000 0.742 1489 K HN 0.440 nan 8.250 nan 0.000 0.458 1490 N N -0.573 118.010 118.700 -0.195 0.000 2.439 1490 N HA 0.022 4.762 4.740 0.001 0.000 0.176 1490 N C 0.789 176.135 175.510 -0.273 0.000 1.029 1490 N CA 0.799 53.726 53.050 -0.206 0.000 0.886 1490 N CB 0.759 39.134 38.487 -0.186 0.000 1.057 1490 N HN -0.077 nan 8.380 nan 0.000 0.437 1491 S N -0.693 114.728 115.700 -0.465 0.000 2.733 1491 S HA 0.463 4.933 4.470 0.001 0.000 0.247 1491 S C 0.488 174.888 174.600 -0.333 0.000 1.043 1491 S CA -0.021 57.897 58.200 -0.471 0.000 1.066 1491 S CB 1.697 64.412 63.200 -0.808 0.000 1.045 1491 S HN 0.534 nan 8.310 nan 0.000 0.586 1492 G N 3.260 111.907 108.800 -0.256 0.000 2.699 1492 G HA2 -0.188 3.772 3.960 0.001 0.000 0.686 1492 G HA3 -0.188 3.772 3.960 0.001 0.000 0.686 1492 G C -0.091 174.776 174.900 -0.055 0.000 1.301 1492 G CA -0.366 44.664 45.100 -0.116 0.000 0.816 1492 G HN 0.322 nan 8.290 nan 0.000 0.595 1493 N N 0.235 118.954 118.700 0.031 0.000 2.461 1493 N HA -0.037 4.703 4.740 0.001 0.000 0.188 1493 N C 0.520 176.129 175.510 0.166 0.000 1.134 1493 N CA 0.285 53.409 53.050 0.124 0.000 0.878 1493 N CB 0.064 38.628 38.487 0.129 0.000 0.972 1493 N HN 0.577 nan 8.380 nan 0.000 0.456 1494 N N 1.479 120.252 118.700 0.122 0.000 2.402 1494 N HA 0.052 4.792 4.740 0.001 0.000 0.259 1494 N C 0.177 175.790 175.510 0.171 0.000 1.167 1494 N CA -0.095 53.035 53.050 0.134 0.000 0.949 1494 N CB 0.391 38.931 38.487 0.089 0.000 1.212 1494 N HN 0.257 nan 8.380 nan 0.000 0.493 1495 L N 2.482 123.814 121.223 0.181 0.000 2.628 1495 L HA 0.313 4.654 4.340 0.001 0.000 0.229 1495 L C 1.312 178.245 176.870 0.104 0.000 1.137 1495 L CA -0.146 54.765 54.840 0.120 0.000 0.909 1495 L CB -0.643 41.489 42.059 0.122 0.000 1.137 1495 L HN 0.677 nan 8.230 nan 0.000 0.470 1496 G N 1.381 110.254 108.800 0.122 0.000 2.660 1496 G HA2 -0.206 3.754 3.960 0.001 0.000 0.247 1496 G HA3 -0.206 3.754 3.960 0.001 0.000 0.247 1496 G C -0.170 174.821 174.900 0.151 0.000 1.328 1496 G CA -0.320 44.848 45.100 0.113 0.000 0.884 1496 G HN 0.250 nan 8.290 nan 0.000 0.531 1497 I N -1.501 119.155 120.570 0.144 0.000 3.060 1497 I HA 0.465 4.636 4.170 0.001 0.000 0.285 1497 I C 1.321 177.555 176.117 0.194 0.000 1.190 1497 I CA -0.877 60.521 61.300 0.162 0.000 1.363 1497 I CB -0.048 38.044 38.000 0.154 0.000 1.396 1497 I HN 0.704 nan 8.210 nan 0.000 0.607 1498 C N 3.935 123.337 119.300 0.170 0.000 2.611 1498 C HA 0.123 4.584 4.460 0.001 0.000 0.416 1498 C C 0.134 175.150 174.990 0.042 0.000 1.366 1498 C CA -0.153 58.897 59.018 0.053 0.000 1.761 1498 C CB -1.309 26.411 27.740 -0.033 0.000 2.619 1498 C HN 0.601 nan 8.230 nan 0.000 0.606 1499 F N 3.177 122.985 119.950 -0.236 0.000 2.444 1499 F HA 0.651 5.178 4.527 0.001 0.000 0.342 1499 F C -0.618 174.970 175.800 -0.352 0.000 1.121 1499 F CA -0.802 57.090 58.000 -0.180 0.000 0.997 1499 F CB 0.418 39.385 39.000 -0.056 0.000 1.130 1499 F HN 0.621 nan 8.300 nan 0.000 0.454 1500 Y N 3.467 123.339 120.300 -0.713 0.000 2.549 1500 Y HA 0.375 4.925 4.550 0.001 0.000 0.339 1500 Y C -0.109 175.368 175.900 -0.706 0.000 1.053 1500 Y CA -1.225 56.586 58.100 -0.481 0.000 1.105 1500 Y CB 1.183 39.505 38.460 -0.230 0.000 1.258 1500 Y HN 0.466 nan 8.280 nan 0.000 0.478 1501 K N 1.631 121.997 120.400 -0.057 0.000 2.412 1501 K HA 0.273 4.594 4.320 0.001 0.000 0.281 1501 K C 0.374 176.951 176.600 -0.038 0.000 1.027 1501 K CA 0.177 56.468 56.287 0.008 0.000 0.989 1501 K CB 0.374 32.944 32.500 0.118 0.000 0.935 1501 K HN 0.890 nan 8.250 nan 0.000 0.475 1502 E N 0.000 120.185 120.200 -0.025 0.000 2.725 1502 E HA 0.000 4.350 4.350 0.001 0.000 0.291 1502 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 1502 E CB 0.000 29.721 29.700 0.036 0.000 0.812 1502 E HN 0.000 nan 8.360 nan 0.000 0.440