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 1ug3_1_B DATA FIRST_RESID 1234 DATA SEQUENCE SKAALSEEEL EKKSKAIIEE YLHLNDMKEA VQCVQELASP SLLFIFVRHG DATA SEQUENCE VESTLERSAI AREHMGQLLH QLLCAGHLST AQYYQGLYEI LELAEDMEID DATA SEQUENCE IPHVWLYLAE LVTPILQEGG VPMGELFREI TKPLRPLGKA ASLLLEILGL DATA SEQUENCE LCKSMGPKKV GTLWREAGLS WKEFLPEGQD IGAFVAEQKV EYTLXXXXXX DATA SEQUENCE XXXXALPSEE LNRQLEKLLK EGSSNQRVFD WIEANLSEQQ IVSNTLVRAL DATA SEQUENCE MTAVCYSAII FETPLRVDVA VLKARAKLLQ KYLCDEQKEL QALYALQALV DATA SEQUENCE VTLEQPPNLL RMFFDALYDE DVVKEDAFYS WES 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 1234 S HA 0.000 nan 4.470 nan 0.000 0.327 1234 S C 0.000 174.608 174.600 0.013 0.000 1.055 1234 S CA 0.000 58.208 58.200 0.014 0.000 1.107 1234 S CB 0.000 63.210 63.200 0.017 0.000 0.593 1235 K N 1.115 121.523 120.400 0.012 0.000 2.032 1235 K HA -0.029 4.291 4.320 0.000 0.000 0.209 1235 K C 2.407 179.015 176.600 0.014 0.000 1.048 1235 K CA 1.968 58.261 56.287 0.011 0.000 0.927 1235 K CB -1.322 31.184 32.500 0.010 0.000 0.712 1235 K HN 0.818 nan 8.250 nan 0.000 0.441 1236 A N 1.625 124.456 122.820 0.019 0.000 1.908 1236 A HA -0.106 4.214 4.320 0.000 0.000 0.218 1236 A C 2.478 180.079 177.584 0.028 0.000 1.181 1236 A CA 2.233 54.286 52.037 0.027 0.000 0.627 1236 A CB -0.674 18.347 19.000 0.035 0.000 0.818 1236 A HN 0.334 nan 8.150 nan 0.000 0.445 1237 A N -0.540 122.295 122.820 0.025 0.000 1.877 1237 A HA -0.040 4.280 4.320 0.000 0.000 0.216 1237 A C 2.005 179.599 177.584 0.015 0.000 1.186 1237 A CA 1.769 53.821 52.037 0.025 0.000 0.620 1237 A CB -0.626 18.387 19.000 0.022 0.000 0.822 1237 A HN 0.407 nan 8.150 nan 0.000 0.443 1238 L N -0.108 121.121 121.223 0.010 0.000 2.083 1238 L HA -0.128 4.212 4.340 0.000 0.000 0.209 1238 L C 2.826 179.695 176.870 -0.002 0.000 1.083 1238 L CA 2.055 56.897 54.840 0.003 0.000 0.752 1238 L CB -0.860 41.200 42.059 0.002 0.000 0.899 1238 L HN 0.467 nan 8.230 nan 0.000 0.433 1239 S N -0.700 115.001 115.700 0.001 0.000 2.359 1239 S HA -0.209 4.261 4.470 0.000 0.000 0.224 1239 S C 1.928 176.518 174.600 -0.016 0.000 1.035 1239 S CA 1.467 59.664 58.200 -0.005 0.000 1.018 1239 S CB -0.132 63.070 63.200 0.004 0.000 0.876 1239 S HN 0.528 nan 8.310 nan 0.000 0.448 1240 E N 0.524 120.719 120.200 -0.008 0.000 2.106 1240 E HA -0.140 4.210 4.350 0.000 0.000 0.192 1240 E C 2.150 178.729 176.600 -0.035 0.000 0.984 1240 E CA 1.150 57.534 56.400 -0.027 0.000 0.806 1240 E CB -0.232 29.474 29.700 0.010 0.000 0.750 1240 E HN 0.705 nan 8.360 nan 0.000 0.458 1241 E N 0.869 121.059 120.200 -0.017 0.000 2.031 1241 E HA -0.213 4.137 4.350 0.000 0.000 0.193 1241 E C 2.082 178.661 176.600 -0.034 0.000 0.994 1241 E CA 1.059 57.447 56.400 -0.020 0.000 0.800 1241 E CB -0.012 29.682 29.700 -0.009 0.000 0.752 1241 E HN 0.045 nan 8.360 nan 0.000 0.447 1242 E N 1.201 121.383 120.200 -0.030 0.000 2.077 1242 E HA -0.171 4.179 4.350 0.000 0.000 0.193 1242 E C 1.950 178.523 176.600 -0.045 0.000 0.989 1242 E CA 0.758 57.139 56.400 -0.033 0.000 0.800 1242 E CB -0.249 29.436 29.700 -0.025 0.000 0.746 1242 E HN 0.198 nan 8.360 nan 0.000 0.452 1243 L N 0.341 121.533 121.223 -0.051 0.000 2.046 1243 L HA -0.184 4.156 4.340 0.000 0.000 0.208 1243 L C 2.440 179.266 176.870 -0.073 0.000 1.077 1243 L CA 2.075 56.880 54.840 -0.058 0.000 0.747 1243 L CB -0.271 41.740 42.059 -0.079 0.000 0.896 1243 L HN 0.221 nan 8.230 nan 0.000 0.432 1244 E N 0.026 120.167 120.200 -0.097 0.000 2.077 1244 E HA -0.317 4.033 4.350 0.000 0.000 0.193 1244 E C 2.231 178.701 176.600 -0.216 0.000 0.989 1244 E CA 1.630 57.939 56.400 -0.152 0.000 0.800 1244 E CB -0.126 29.514 29.700 -0.100 0.000 0.746 1244 E HN 0.375 nan 8.360 nan 0.000 0.452 1245 K N 0.555 120.876 120.400 -0.131 0.000 2.032 1245 K HA -0.226 4.094 4.320 0.000 0.000 0.209 1245 K C 1.947 178.481 176.600 -0.110 0.000 1.048 1245 K CA 1.864 58.081 56.287 -0.116 0.000 0.927 1245 K CB -0.018 32.444 32.500 -0.063 0.000 0.712 1245 K HN 0.031 nan 8.250 nan 0.000 0.441 1246 K N 0.089 120.447 120.400 -0.070 0.000 2.148 1246 K HA -0.031 4.289 4.320 0.000 0.000 0.204 1246 K C 2.210 178.811 176.600 0.002 0.000 1.050 1246 K CA 1.300 57.571 56.287 -0.027 0.000 0.942 1246 K CB 0.031 32.524 32.500 -0.011 0.000 0.724 1246 K HN 0.069 nan 8.250 nan 0.000 0.446 1247 S N 1.451 117.135 115.700 -0.026 0.000 2.368 1247 S HA -0.157 4.313 4.470 0.000 0.000 0.225 1247 S C 1.890 176.365 174.600 -0.208 0.000 1.030 1247 S CA 1.214 59.421 58.200 0.011 0.000 0.999 1247 S CB -0.074 63.056 63.200 -0.117 0.000 0.844 1247 S HN 0.306 nan 8.310 nan 0.000 0.459 1248 K N 1.467 121.619 120.400 -0.414 0.000 2.002 1248 K HA -0.103 4.217 4.320 0.000 0.000 0.209 1248 K C 2.290 178.851 176.600 -0.065 0.000 1.048 1248 K CA 1.274 57.354 56.287 -0.346 0.000 0.930 1248 K CB -0.414 31.874 32.500 -0.353 0.000 0.714 1248 K HN 0.279 nan 8.250 nan 0.000 0.438 1249 A N 1.637 124.432 122.820 -0.043 0.000 1.865 1249 A HA -0.184 4.136 4.320 0.000 0.000 0.217 1249 A C 2.159 179.783 177.584 0.067 0.000 1.191 1249 A CA 1.861 53.908 52.037 0.016 0.000 0.623 1249 A CB -0.752 18.254 19.000 0.010 0.000 0.826 1249 A HN 0.384 nan 8.150 nan 0.000 0.444 1250 I N -0.391 120.236 120.570 0.095 0.000 2.127 1250 I HA -0.296 3.874 4.170 0.000 0.000 0.241 1250 I C 2.386 178.629 176.117 0.210 0.000 1.075 1250 I CA 1.644 63.044 61.300 0.166 0.000 1.334 1250 I CB -0.402 37.750 38.000 0.254 0.000 1.040 1250 I HN 0.326 nan 8.210 nan 0.000 0.405 1251 I N 0.263 120.931 120.570 0.164 0.000 2.226 1251 I HA -0.256 3.914 4.170 0.000 0.000 0.245 1251 I C 2.606 178.850 176.117 0.212 0.000 1.100 1251 I CA 1.187 62.589 61.300 0.170 0.000 1.374 1251 I CB -0.416 37.597 38.000 0.022 0.000 1.057 1251 I HN 0.240 nan 8.210 nan 0.000 0.413 1252 E N 0.987 121.275 120.200 0.146 0.000 2.051 1252 E HA -0.229 4.121 4.350 0.000 0.000 0.192 1252 E C 2.040 178.733 176.600 0.156 0.000 0.991 1252 E CA 1.391 57.867 56.400 0.126 0.000 0.799 1252 E CB -0.301 29.447 29.700 0.080 0.000 0.748 1252 E HN 0.586 nan 8.360 nan 0.000 0.449 1253 E N -0.108 120.192 120.200 0.166 0.000 2.110 1253 E HA -0.205 4.145 4.350 0.000 0.000 0.193 1253 E C 2.050 178.757 176.600 0.179 0.000 0.988 1253 E CA 1.052 57.564 56.400 0.187 0.000 0.804 1253 E CB -0.365 29.426 29.700 0.151 0.000 0.745 1253 E HN 0.278 nan 8.360 nan 0.000 0.458 1254 Y N 1.693 122.046 120.300 0.088 0.000 2.145 1254 Y HA -0.177 4.373 4.550 -0.000 0.000 0.286 1254 Y C 1.887 177.818 175.900 0.052 0.000 1.145 1254 Y CA 1.397 59.533 58.100 0.060 0.000 1.148 1254 Y CB -0.249 38.265 38.460 0.089 0.000 0.981 1254 Y HN -0.075 nan 8.280 nan 0.000 0.507 1255 L N -0.322 120.851 121.223 -0.084 0.000 2.201 1255 L HA -0.192 4.148 4.340 0.000 0.000 0.212 1255 L C 2.389 179.226 176.870 -0.056 0.000 1.105 1255 L CA 1.596 56.353 54.840 -0.140 0.000 0.775 1255 L CB -0.719 41.381 42.059 0.068 0.000 0.913 1255 L HN 0.377 nan 8.230 nan 0.000 0.440 1256 H N 0.408 119.428 119.070 -0.084 0.000 2.329 1256 H HA -0.017 4.539 4.556 0.000 0.000 0.306 1256 H C 1.965 177.246 175.328 -0.079 0.000 1.062 1256 H CA 1.479 57.494 56.048 -0.055 0.000 1.364 1256 H CB 0.009 29.761 29.762 -0.017 0.000 1.409 1256 H HN 0.136 nan 8.280 nan 0.000 0.519 1257 L N -0.639 120.354 121.223 -0.383 0.000 2.416 1257 L HA 0.088 4.428 4.340 0.000 0.000 0.216 1257 L C 0.764 177.467 176.870 -0.279 0.000 1.098 1257 L CA 0.560 55.154 54.840 -0.410 0.000 0.840 1257 L CB -0.062 41.829 42.059 -0.281 0.000 0.981 1257 L HN 0.339 nan 8.230 nan 0.000 0.462 1258 N N 0.532 119.022 118.700 -0.349 0.000 2.782 1258 N HA -0.198 4.542 4.740 0.000 0.000 0.251 1258 N C -0.085 175.328 175.510 -0.161 0.000 1.101 1258 N CA 0.790 53.573 53.050 -0.444 0.000 0.764 1258 N CB -0.904 37.337 38.487 -0.409 0.000 1.122 1258 N HN 0.324 nan 8.380 nan 0.000 0.561 1259 D N 1.089 121.473 120.400 -0.026 0.000 2.453 1259 D HA 0.123 4.763 4.640 0.000 0.000 0.223 1259 D C 1.385 177.790 176.300 0.176 0.000 1.183 1259 D CA -0.354 53.678 54.000 0.052 0.000 0.933 1259 D CB 0.382 41.200 40.800 0.030 0.000 1.038 1259 D HN 0.153 nan 8.370 nan 0.000 0.513 1260 M N 4.353 124.061 119.600 0.181 0.000 2.065 1260 M HA -0.174 4.306 4.480 0.000 0.000 0.259 1260 M C 1.585 177.930 176.300 0.075 0.000 1.069 1260 M CA 1.824 57.231 55.300 0.178 0.000 1.110 1260 M CB -0.014 32.666 32.600 0.134 0.000 1.328 1260 M HN 0.196 nan 8.290 nan 0.000 0.405 1261 K N -0.761 119.671 120.400 0.053 0.000 2.103 1261 K HA -0.212 4.109 4.320 0.000 0.000 0.207 1261 K C 2.045 178.658 176.600 0.022 0.000 1.048 1261 K CA 1.587 57.891 56.287 0.028 0.000 0.930 1261 K CB -0.316 32.196 32.500 0.021 0.000 0.716 1261 K HN 0.318 nan 8.250 nan 0.000 0.444 1262 E N 1.146 121.367 120.200 0.036 0.000 2.072 1262 E HA -0.106 4.244 4.350 0.000 0.000 0.191 1262 E C 1.790 178.406 176.600 0.025 0.000 0.985 1262 E CA 1.431 57.849 56.400 0.030 0.000 0.801 1262 E CB -0.178 29.547 29.700 0.042 0.000 0.750 1262 E HN 0.268 nan 8.360 nan 0.000 0.452 1263 A N 0.083 122.933 122.820 0.050 0.000 1.877 1263 A HA -0.142 4.178 4.320 0.000 0.000 0.216 1263 A C 2.530 180.075 177.584 -0.066 0.000 1.186 1263 A CA 1.710 53.755 52.037 0.015 0.000 0.620 1263 A CB -0.915 18.067 19.000 -0.029 0.000 0.822 1263 A HN 0.180 nan 8.150 nan 0.000 0.443 1264 V N 0.199 120.075 119.914 -0.064 0.000 2.282 1264 V HA -0.360 3.760 4.120 0.000 0.000 0.249 1264 V C 2.780 178.813 176.094 -0.101 0.000 1.057 1264 V CA 2.494 64.753 62.300 -0.068 0.000 1.032 1264 V CB -0.867 30.954 31.823 -0.004 0.000 0.645 1264 V HN 0.786 nan 8.190 nan 0.000 0.447 1265 Q N -1.029 118.729 119.800 -0.070 0.000 2.050 1265 Q HA -0.252 4.088 4.340 0.000 0.000 0.202 1265 Q C 2.379 178.299 176.000 -0.133 0.000 0.980 1265 Q CA 2.470 58.215 55.803 -0.096 0.000 0.840 1265 Q CB -0.314 28.395 28.738 -0.049 0.000 0.898 1265 Q HN 0.700 nan 8.270 nan 0.000 0.424 1266 C N -0.268 118.974 119.300 -0.096 0.000 2.413 1266 C HA -0.119 4.341 4.460 0.000 0.000 0.276 1266 C C 2.673 177.567 174.990 -0.160 0.000 1.248 1266 C CA 0.756 59.719 59.018 -0.091 0.000 1.742 1266 C CB -0.893 26.827 27.740 -0.034 0.000 2.017 1266 C HN 0.446 nan 8.230 nan 0.000 0.481 1267 V N 0.471 120.241 119.914 -0.240 0.000 2.358 1267 V HA -0.273 3.847 4.120 0.000 0.000 0.246 1267 V C 2.529 178.407 176.094 -0.359 0.000 1.047 1267 V CA 2.193 64.271 62.300 -0.370 0.000 1.035 1267 V CB -0.869 30.638 31.823 -0.526 0.000 0.658 1267 V HN 0.641 nan 8.190 nan 0.000 0.452 1268 Q N 0.189 119.726 119.800 -0.438 0.000 2.124 1268 Q HA -0.253 4.087 4.340 0.000 0.000 0.202 1268 Q C 2.047 177.866 176.000 -0.303 0.000 0.977 1268 Q CA 1.888 57.349 55.803 -0.570 0.000 0.850 1268 Q CB -0.121 28.182 28.738 -0.726 0.000 0.901 1268 Q HN 0.722 nan 8.270 nan 0.000 0.429 1269 E N 0.213 120.286 120.200 -0.212 0.000 2.409 1269 E HA -0.113 4.237 4.350 0.000 0.000 0.198 1269 E C 1.916 178.447 176.600 -0.116 0.000 1.024 1269 E CA 0.364 56.684 56.400 -0.135 0.000 0.861 1269 E CB 0.047 29.689 29.700 -0.097 0.000 0.788 1269 E HN 0.453 nan 8.360 nan 0.000 0.521 1270 L N 0.323 121.462 121.223 -0.140 0.000 2.156 1270 L HA 0.016 4.356 4.340 0.000 0.000 0.208 1270 L C 1.268 178.081 176.870 -0.095 0.000 1.095 1270 L CA 0.324 55.099 54.840 -0.109 0.000 0.770 1270 L CB -0.422 41.561 42.059 -0.127 0.000 0.914 1270 L HN 0.047 nan 8.230 nan 0.000 0.439 1271 A N 0.424 123.174 122.820 -0.116 0.000 2.560 1271 A HA -0.196 4.124 4.320 0.000 0.000 0.299 1271 A C 0.595 178.145 177.584 -0.056 0.000 1.484 1271 A CA 0.871 52.858 52.037 -0.083 0.000 0.749 1271 A CB -1.820 17.142 19.000 -0.063 0.000 1.072 1271 A HN 0.367 nan 8.150 nan 0.000 0.426 1272 S N -0.620 115.043 115.700 -0.062 0.000 2.407 1272 S HA 0.411 4.881 4.470 0.000 0.000 0.166 1272 S C -1.646 172.941 174.600 -0.022 0.000 1.445 1272 S CA -0.170 58.009 58.200 -0.036 0.000 1.260 1272 S CB 0.997 64.170 63.200 -0.045 0.000 1.401 1272 S HN 0.400 nan 8.310 nan 0.000 0.379 1273 P HA -0.081 nan 4.420 nan 0.000 0.216 1273 P C 1.038 178.373 177.300 0.059 0.000 1.150 1273 P CA 1.208 64.318 63.100 0.018 0.000 0.843 1273 P CB 0.052 31.767 31.700 0.024 0.000 0.787 1274 S N -1.394 114.351 115.700 0.074 0.000 2.603 1274 S HA 0.144 4.614 4.470 0.000 0.000 0.220 1274 S C 1.243 175.982 174.600 0.232 0.000 0.967 1274 S CA 0.502 58.784 58.200 0.136 0.000 0.920 1274 S CB -0.462 62.803 63.200 0.108 0.000 0.773 1274 S HN 0.150 nan 8.310 nan 0.000 0.529 1275 L N 0.288 121.581 121.223 0.117 0.000 3.016 1275 L HA 0.340 4.681 4.340 0.000 0.000 0.267 1275 L C 1.019 177.769 176.870 -0.199 0.000 1.182 1275 L CA 0.108 54.924 54.840 -0.040 0.000 0.997 1275 L CB 0.000 42.006 42.059 -0.089 0.000 1.354 1275 L HN 0.227 nan 8.230 nan 0.000 0.569 1276 L N 0.232 121.454 121.223 -0.002 0.000 2.456 1276 L HA -0.163 4.177 4.340 0.000 0.000 0.224 1276 L C 2.527 179.450 176.870 0.089 0.000 1.148 1276 L CA 1.171 56.024 54.840 0.022 0.000 0.825 1276 L CB -0.545 41.530 42.059 0.026 0.000 0.937 1276 L HN 0.400 nan 8.230 nan 0.000 0.450 1277 F N -0.669 119.334 119.950 0.089 0.000 2.216 1277 F HA -0.168 4.359 4.527 0.000 0.000 0.300 1277 F C 2.095 177.952 175.800 0.094 0.000 1.085 1277 F CA 0.958 59.002 58.000 0.073 0.000 1.326 1277 F CB -0.908 38.119 39.000 0.044 0.000 1.027 1277 F HN -0.091 nan 8.300 nan 0.000 0.497 1278 I N -0.394 119.800 120.570 -0.627 0.000 2.179 1278 I HA -0.234 3.936 4.170 0.000 0.000 0.242 1278 I C 2.490 178.579 176.117 -0.046 0.000 1.088 1278 I CA 1.584 62.657 61.300 -0.377 0.000 1.357 1278 I CB -0.622 37.082 38.000 -0.493 0.000 1.051 1278 I HN 0.212 nan 8.210 nan 0.000 0.409 1279 F N 1.387 121.261 119.950 -0.127 0.000 2.069 1279 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 1279 F C 2.403 178.229 175.800 0.043 0.000 1.113 1279 F CA 1.777 59.760 58.000 -0.029 0.000 1.214 1279 F CB -0.367 38.608 39.000 -0.040 0.000 0.978 1279 F HN -0.240 nan 8.300 nan 0.000 0.474 1280 V N 1.154 121.213 119.914 0.242 0.000 2.255 1280 V HA -0.360 3.760 4.120 0.000 0.000 0.247 1280 V C 2.596 178.711 176.094 0.034 0.000 1.051 1280 V CA 2.426 64.817 62.300 0.152 0.000 1.018 1280 V CB -0.883 31.033 31.823 0.155 0.000 0.641 1280 V HN 0.355 nan 8.190 nan 0.000 0.445 1281 R N -0.648 119.888 120.500 0.060 0.000 2.096 1281 R HA -0.280 4.060 4.340 0.000 0.000 0.240 1281 R C 2.400 178.693 176.300 -0.012 0.000 1.139 1281 R CA 2.551 58.678 56.100 0.045 0.000 0.952 1281 R CB -0.515 29.847 30.300 0.104 0.000 0.854 1281 R HN 0.727 nan 8.270 nan 0.000 0.436 1282 H N -0.802 118.206 119.070 -0.103 0.000 2.321 1282 H HA -0.019 4.537 4.556 0.000 0.000 0.300 1282 H C 1.875 177.102 175.328 -0.169 0.000 1.087 1282 H CA 2.209 58.172 56.048 -0.141 0.000 1.319 1282 H CB -0.593 29.053 29.762 -0.194 0.000 1.379 1282 H HN 0.404 nan 8.280 nan 0.000 0.501 1283 G N -0.173 108.512 108.800 -0.191 0.000 2.469 1283 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 1283 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 1283 G C 1.816 176.642 174.900 -0.124 0.000 1.150 1283 G CA 1.339 46.327 45.100 -0.187 0.000 0.763 1283 G HN 0.381 nan 8.290 nan 0.000 0.561 1284 V N 0.397 120.258 119.914 -0.089 0.000 2.270 1284 V HA -0.155 3.965 4.120 0.000 0.000 0.245 1284 V C 2.599 178.638 176.094 -0.091 0.000 1.043 1284 V CA 2.266 64.533 62.300 -0.054 0.000 1.014 1284 V CB -0.569 31.238 31.823 -0.028 0.000 0.645 1284 V HN 0.451 nan 8.190 nan 0.000 0.447 1285 E N 0.680 120.797 120.200 -0.138 0.000 2.038 1285 E HA -0.222 4.128 4.350 0.000 0.000 0.195 1285 E C 2.328 178.810 176.600 -0.197 0.000 1.000 1285 E CA 1.874 58.179 56.400 -0.159 0.000 0.803 1285 E CB -0.197 29.391 29.700 -0.186 0.000 0.750 1285 E HN 0.747 nan 8.360 nan 0.000 0.448 1286 S N -0.610 114.901 115.700 -0.315 0.000 2.474 1286 S HA -0.117 4.353 4.470 0.000 0.000 0.235 1286 S C 1.941 176.457 174.600 -0.140 0.000 0.997 1286 S CA 1.419 59.461 58.200 -0.263 0.000 0.949 1286 S CB -0.234 62.745 63.200 -0.368 0.000 0.766 1286 S HN 0.362 nan 8.310 nan 0.000 0.517 1287 T N -1.605 112.881 114.554 -0.113 0.000 2.985 1287 T HA 0.306 4.656 4.350 0.000 0.000 0.254 1287 T C 1.417 176.059 174.700 -0.097 0.000 1.021 1287 T CA 0.090 62.144 62.100 -0.077 0.000 0.957 1287 T CB -0.352 68.498 68.868 -0.030 0.000 1.047 1287 T HN 0.165 nan 8.240 nan 0.000 0.511 1288 L N 2.133 123.305 121.223 -0.085 0.000 2.064 1288 L HA -0.050 4.290 4.340 0.000 0.000 0.216 1288 L C 1.591 178.359 176.870 -0.170 0.000 1.077 1288 L CA 1.955 56.754 54.840 -0.069 0.000 0.766 1288 L CB -0.470 41.573 42.059 -0.028 0.000 0.890 1288 L HN 0.395 nan 8.230 nan 0.000 0.435 1289 E N -2.105 117.999 120.200 -0.160 0.000 2.651 1289 E HA 0.058 4.408 4.350 0.000 0.000 0.208 1289 E C 1.440 177.926 176.600 -0.189 0.000 0.997 1289 E CA -0.203 56.071 56.400 -0.210 0.000 1.020 1289 E CB 0.545 30.187 29.700 -0.096 0.000 1.052 1289 E HN 0.354 nan 8.360 nan 0.000 0.465 1290 R N 1.236 121.631 120.500 -0.175 0.000 2.046 1290 R HA 0.029 4.369 4.340 0.000 0.000 0.223 1290 R C 0.436 176.651 176.300 -0.142 0.000 1.179 1290 R CA 1.568 57.592 56.100 -0.126 0.000 0.952 1290 R CB 0.371 30.617 30.300 -0.091 0.000 0.843 1290 R HN 0.133 nan 8.270 nan 0.000 0.439 1291 S N -3.317 112.285 115.700 -0.163 0.000 2.611 1291 S HA 0.459 4.929 4.470 0.000 0.000 0.270 1291 S C 0.195 174.704 174.600 -0.152 0.000 1.131 1291 S CA -0.531 57.578 58.200 -0.151 0.000 0.826 1291 S CB 0.908 64.047 63.200 -0.102 0.000 1.095 1291 S HN 0.225 nan 8.310 nan 0.000 0.461 1292 A N 0.897 123.645 122.820 -0.121 0.000 1.877 1292 A HA 0.027 4.347 4.320 0.000 0.000 0.216 1292 A C 1.970 179.492 177.584 -0.104 0.000 1.186 1292 A CA 1.822 53.811 52.037 -0.079 0.000 0.620 1292 A CB -0.992 17.989 19.000 -0.031 0.000 0.822 1292 A HN 1.164 nan 8.150 nan 0.000 0.443 1293 I N -0.117 120.364 120.570 -0.149 0.000 2.286 1293 I HA -0.168 4.003 4.170 0.000 0.000 0.248 1293 I C 2.524 178.412 176.117 -0.380 0.000 1.115 1293 I CA 1.313 62.438 61.300 -0.292 0.000 1.392 1293 I CB -0.464 37.362 38.000 -0.290 0.000 1.065 1293 I HN 0.285 nan 8.210 nan 0.000 0.418 1294 A N 0.416 123.123 122.820 -0.189 0.000 1.898 1294 A HA -0.188 4.132 4.320 0.000 0.000 0.216 1294 A C 2.445 180.027 177.584 -0.003 0.000 1.181 1294 A CA 1.606 53.600 52.037 -0.072 0.000 0.620 1294 A CB -0.601 18.375 19.000 -0.039 0.000 0.819 1294 A HN 0.448 nan 8.150 nan 0.000 0.442 1295 R N -0.611 119.871 120.500 -0.031 0.000 2.081 1295 R HA -0.158 4.182 4.340 0.000 0.000 0.235 1295 R C 2.252 178.592 176.300 0.067 0.000 1.131 1295 R CA 1.534 57.647 56.100 0.023 0.000 0.960 1295 R CB -0.266 30.040 30.300 0.010 0.000 0.856 1295 R HN 0.679 nan 8.270 nan 0.000 0.436 1296 E N 0.638 120.848 120.200 0.016 0.000 2.017 1296 E HA -0.205 4.145 4.350 0.000 0.000 0.193 1296 E C 1.628 178.338 176.600 0.183 0.000 0.997 1296 E CA 1.803 58.235 56.400 0.053 0.000 0.804 1296 E CB -0.282 29.396 29.700 -0.037 0.000 0.757 1296 E HN 0.512 nan 8.360 nan 0.000 0.448 1297 H N -1.271 117.878 119.070 0.130 0.000 2.353 1297 H HA -0.150 4.406 4.556 -0.000 0.000 0.298 1297 H C 2.007 177.562 175.328 0.379 0.000 1.103 1297 H CA 1.268 57.455 56.048 0.231 0.000 1.293 1297 H CB -0.106 29.716 29.762 0.100 0.000 1.372 1297 H HN 0.226 nan 8.280 nan 0.000 0.501 1298 M N 0.646 120.490 119.600 0.406 0.000 2.117 1298 M HA -0.044 4.436 4.480 0.000 0.000 0.262 1298 M C 2.427 178.862 176.300 0.226 0.000 1.065 1298 M CA 1.653 57.131 55.300 0.297 0.000 1.114 1298 M CB -0.590 32.122 32.600 0.186 0.000 1.361 1298 M HN 0.229 nan 8.290 nan 0.000 0.408 1299 G N -0.593 108.333 108.800 0.210 0.000 2.418 1299 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 1299 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 1299 G C 1.427 176.443 174.900 0.194 0.000 1.158 1299 G CA 0.590 45.810 45.100 0.199 0.000 0.771 1299 G HN 0.480 nan 8.290 nan 0.000 0.545 1300 Q N -0.248 119.674 119.800 0.202 0.000 2.084 1300 Q HA -0.063 4.277 4.340 0.000 0.000 0.202 1300 Q C 2.586 178.692 176.000 0.176 0.000 0.978 1300 Q CA 0.918 56.837 55.803 0.193 0.000 0.844 1300 Q CB -0.622 28.248 28.738 0.220 0.000 0.898 1300 Q HN 0.489 nan 8.270 nan 0.000 0.426 1301 L N 0.476 121.771 121.223 0.120 0.000 2.046 1301 L HA -0.138 4.202 4.340 0.000 0.000 0.208 1301 L C 2.122 179.013 176.870 0.035 0.000 1.077 1301 L CA 1.468 56.281 54.840 -0.045 0.000 0.747 1301 L CB -0.627 41.229 42.059 -0.339 0.000 0.896 1301 L HN 0.133 nan 8.230 nan 0.000 0.432 1302 L N -0.973 120.323 121.223 0.122 0.000 2.046 1302 L HA -0.256 4.084 4.340 0.000 0.000 0.208 1302 L C 2.735 179.624 176.870 0.032 0.000 1.077 1302 L CA 1.658 56.581 54.840 0.138 0.000 0.747 1302 L CB -1.187 41.036 42.059 0.274 0.000 0.896 1302 L HN 0.518 nan 8.230 nan 0.000 0.432 1303 H N 0.200 119.250 119.070 -0.034 0.000 2.352 1303 H HA -0.171 4.385 4.556 0.000 0.000 0.299 1303 H C 2.197 177.479 175.328 -0.076 0.000 1.097 1303 H CA 1.591 57.588 56.048 -0.085 0.000 1.311 1303 H CB 0.287 30.027 29.762 -0.036 0.000 1.377 1303 H HN 0.343 nan 8.280 nan 0.000 0.504 1304 Q N 0.764 120.523 119.800 -0.067 0.000 2.061 1304 Q HA -0.116 4.224 4.340 0.000 0.000 0.204 1304 Q C 2.927 178.831 176.000 -0.160 0.000 0.984 1304 Q CA 1.043 56.772 55.803 -0.124 0.000 0.846 1304 Q CB -0.435 28.291 28.738 -0.020 0.000 0.902 1304 Q HN 0.526 nan 8.270 nan 0.000 0.421 1305 L N 0.226 121.384 121.223 -0.108 0.000 2.042 1305 L HA -0.221 4.119 4.340 0.000 0.000 0.210 1305 L C 2.438 179.220 176.870 -0.148 0.000 1.076 1305 L CA 0.709 55.494 54.840 -0.091 0.000 0.749 1305 L CB -0.584 41.432 42.059 -0.072 0.000 0.893 1305 L HN 0.207 nan 8.230 nan 0.000 0.432 1306 L N -0.483 120.622 121.223 -0.196 0.000 1.994 1306 L HA -0.214 4.126 4.340 0.000 0.000 0.208 1306 L C 2.569 179.276 176.870 -0.271 0.000 1.071 1306 L CA 1.825 56.520 54.840 -0.241 0.000 0.745 1306 L CB -0.701 41.167 42.059 -0.317 0.000 0.892 1306 L HN 0.218 nan 8.230 nan 0.000 0.431 1307 C N -0.048 119.041 119.300 -0.351 0.000 2.413 1307 C HA -0.118 4.342 4.460 0.000 0.000 0.277 1307 C C 2.902 177.733 174.990 -0.265 0.000 1.265 1307 C CA 0.770 59.593 59.018 -0.327 0.000 1.752 1307 C CB -1.676 25.817 27.740 -0.411 0.000 1.998 1307 C HN 0.713 nan 8.230 nan 0.000 0.489 1308 A N -0.778 121.867 122.820 -0.290 0.000 2.209 1308 A HA 0.370 4.690 4.320 0.000 0.000 0.212 1308 A C 1.877 179.136 177.584 -0.542 0.000 1.158 1308 A CA 1.454 53.258 52.037 -0.387 0.000 0.742 1308 A CB -0.758 18.003 19.000 -0.398 0.000 0.790 1308 A HN 1.297 nan 8.150 nan 0.000 0.472 1309 G N -1.850 106.722 108.800 -0.380 0.000 2.143 1309 G HA2 -0.290 3.670 3.960 0.000 0.000 0.249 1309 G HA3 -0.290 3.670 3.960 0.000 0.000 0.249 1309 G C 0.682 175.434 174.900 -0.245 0.000 0.981 1309 G CA 0.654 45.582 45.100 -0.287 0.000 0.665 1309 G HN 0.621 nan 8.290 nan 0.000 0.528 1310 H N -1.298 117.710 119.070 -0.102 0.000 2.465 1310 H HA 0.264 4.820 4.556 0.000 0.000 0.289 1310 H C 1.273 176.542 175.328 -0.098 0.000 1.022 1310 H CA 1.081 57.066 56.048 -0.104 0.000 1.340 1310 H CB 0.254 29.936 29.762 -0.134 0.000 1.437 1310 H HN 0.488 nan 8.280 nan 0.000 0.539 1311 L N 2.190 123.412 121.223 -0.003 0.000 2.287 1311 L HA 0.297 4.637 4.340 0.000 0.000 0.287 1311 L C 0.302 177.148 176.870 -0.040 0.000 1.022 1311 L CA -0.737 54.096 54.840 -0.011 0.000 0.814 1311 L CB 1.176 43.230 42.059 -0.010 0.000 1.217 1311 L HN 0.041 nan 8.230 nan 0.000 0.420 1312 S N 2.237 117.932 115.700 -0.009 0.000 2.601 1312 S HA 0.255 4.725 4.470 0.000 0.000 0.271 1312 S C 1.063 175.633 174.600 -0.051 0.000 1.305 1312 S CA 0.115 58.299 58.200 -0.027 0.000 1.022 1312 S CB 0.987 64.193 63.200 0.009 0.000 0.940 1312 S HN 0.751 nan 8.310 nan 0.000 0.525 1313 T N 2.603 117.101 114.554 -0.094 0.000 2.635 1313 T HA -0.160 4.190 4.350 0.000 0.000 0.267 1313 T C 2.202 176.800 174.700 -0.170 0.000 1.040 1313 T CA 1.951 63.928 62.100 -0.204 0.000 1.156 1313 T CB -1.058 67.749 68.868 -0.102 0.000 0.863 1313 T HN 0.877 nan 8.240 nan 0.000 0.430 1314 A N 1.441 124.276 122.820 0.025 0.000 1.892 1314 A HA -0.197 4.123 4.320 0.000 0.000 0.218 1314 A C 2.383 180.006 177.584 0.066 0.000 1.188 1314 A CA 1.482 53.589 52.037 0.116 0.000 0.631 1314 A CB -0.629 18.433 19.000 0.103 0.000 0.822 1314 A HN 0.390 nan 8.150 nan 0.000 0.447 1315 Q N -1.892 117.948 119.800 0.067 0.000 2.119 1315 Q HA -0.183 4.157 4.340 0.000 0.000 0.201 1315 Q C 1.938 178.005 176.000 0.112 0.000 0.972 1315 Q CA 1.732 57.606 55.803 0.119 0.000 0.847 1315 Q CB -0.485 28.344 28.738 0.151 0.000 0.903 1315 Q HN 0.870 nan 8.270 nan 0.000 0.433 1316 Y N 0.536 120.773 120.300 -0.105 0.000 2.097 1316 Y HA -0.315 4.235 4.550 0.000 0.000 0.282 1316 Y C 1.923 177.718 175.900 -0.175 0.000 1.152 1316 Y CA 1.667 59.675 58.100 -0.154 0.000 1.136 1316 Y CB -0.570 37.704 38.460 -0.310 0.000 0.975 1316 Y HN 0.028 nan 8.280 nan 0.000 0.498 1317 Y N 0.756 120.956 120.300 -0.167 0.000 2.165 1317 Y HA -0.290 4.260 4.550 0.000 0.000 0.286 1317 Y C 2.867 178.204 175.900 -0.938 0.000 1.155 1317 Y CA 1.701 59.389 58.100 -0.686 0.000 1.164 1317 Y CB -1.318 36.765 38.460 -0.627 0.000 0.978 1317 Y HN 0.309 nan 8.280 nan 0.000 0.513 1318 Q N -0.220 119.400 119.800 -0.301 0.000 2.061 1318 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 1318 Q C 2.533 178.510 176.000 -0.038 0.000 0.984 1318 Q CA 1.846 57.550 55.803 -0.165 0.000 0.846 1318 Q CB -0.595 28.070 28.738 -0.122 0.000 0.902 1318 Q HN 0.537 nan 8.270 nan 0.000 0.421 1319 G N 0.727 109.549 108.800 0.037 0.000 2.418 1319 G HA2 -0.236 3.724 3.960 0.000 0.000 0.217 1319 G HA3 -0.236 3.724 3.960 0.000 0.000 0.217 1319 G C 1.379 176.287 174.900 0.014 0.000 1.158 1319 G CA 0.705 45.873 45.100 0.113 0.000 0.771 1319 G HN 0.313 nan 8.290 nan 0.000 0.545 1320 L N -0.727 120.417 121.223 -0.132 0.000 2.027 1320 L HA -0.075 4.265 4.340 0.000 0.000 0.206 1320 L C 2.753 179.702 176.870 0.132 0.000 1.074 1320 L CA 0.855 55.650 54.840 -0.075 0.000 0.745 1320 L CB -0.435 41.502 42.059 -0.204 0.000 0.898 1320 L HN 0.152 nan 8.230 nan 0.000 0.433 1321 Y N 0.300 120.622 120.300 0.036 0.000 2.139 1321 Y HA -0.336 4.214 4.550 -0.000 0.000 0.282 1321 Y C 2.581 178.503 175.900 0.036 0.000 1.179 1321 Y CA 1.317 59.442 58.100 0.042 0.000 1.161 1321 Y CB -0.952 37.531 38.460 0.038 0.000 0.970 1321 Y HN 0.307 nan 8.280 nan 0.000 0.511 1322 E N -0.263 120.062 120.200 0.208 0.000 2.171 1322 E HA -0.198 4.152 4.350 0.000 0.000 0.197 1322 E C 1.862 178.520 176.600 0.096 0.000 0.997 1322 E CA 1.548 58.029 56.400 0.136 0.000 0.810 1322 E CB -0.263 29.521 29.700 0.139 0.000 0.738 1322 E HN 0.466 nan 8.360 nan 0.000 0.467 1323 I N -0.457 120.165 120.570 0.086 0.000 2.927 1323 I HA -0.108 4.062 4.170 0.000 0.000 0.268 1323 I C 1.815 177.956 176.117 0.040 0.000 1.153 1323 I CA 0.177 61.503 61.300 0.043 0.000 1.459 1323 I CB 0.127 38.138 38.000 0.017 0.000 1.149 1323 I HN 0.046 nan 8.210 nan 0.000 0.443 1324 L N 0.749 122.029 121.223 0.095 0.000 2.131 1324 L HA -0.215 4.125 4.340 0.000 0.000 0.210 1324 L C 2.519 179.452 176.870 0.105 0.000 1.092 1324 L CA 1.419 56.332 54.840 0.122 0.000 0.759 1324 L CB -0.520 41.663 42.059 0.207 0.000 0.903 1324 L HN 0.351 nan 8.230 nan 0.000 0.435 1325 E N 0.807 121.058 120.200 0.085 0.000 2.153 1325 E HA -0.208 4.142 4.350 0.000 0.000 0.194 1325 E C 1.932 178.559 176.600 0.045 0.000 0.988 1325 E CA 1.060 57.496 56.400 0.059 0.000 0.811 1325 E CB 0.058 29.788 29.700 0.051 0.000 0.746 1325 E HN 0.525 nan 8.360 nan 0.000 0.466 1326 L N -0.180 121.056 121.223 0.022 0.000 2.607 1326 L HA 0.279 4.619 4.340 0.000 0.000 0.228 1326 L C 2.162 179.000 176.870 -0.054 0.000 1.123 1326 L CA 0.201 55.038 54.840 -0.005 0.000 0.890 1326 L CB 0.215 42.269 42.059 -0.009 0.000 1.103 1326 L HN 0.114 nan 8.230 nan 0.000 0.468 1327 A N 0.878 123.641 122.820 -0.095 0.000 1.859 1327 A HA -0.299 4.021 4.320 0.000 0.000 0.217 1327 A C 2.244 179.670 177.584 -0.264 0.000 1.198 1327 A CA 2.230 54.076 52.037 -0.318 0.000 0.629 1327 A CB -0.556 18.094 19.000 -0.583 0.000 0.830 1327 A HN 0.491 nan 8.150 nan 0.000 0.446 1328 E N -0.312 119.899 120.200 0.018 0.000 2.114 1328 E HA -0.285 4.065 4.350 0.000 0.000 0.199 1328 E C 1.336 177.964 176.600 0.047 0.000 1.008 1328 E CA 1.723 58.221 56.400 0.164 0.000 0.810 1328 E CB -0.211 29.617 29.700 0.214 0.000 0.739 1328 E HN 0.642 nan 8.360 nan 0.000 0.456 1329 D N -0.191 120.212 120.400 0.006 0.000 2.144 1329 D HA -0.140 4.500 4.640 0.000 0.000 0.200 1329 D C 2.028 178.306 176.300 -0.037 0.000 0.978 1329 D CA 1.137 55.133 54.000 -0.006 0.000 0.833 1329 D CB -0.161 40.637 40.800 -0.004 0.000 0.961 1329 D HN 0.401 nan 8.370 nan 0.000 0.470 1330 M N 0.577 120.127 119.600 -0.083 0.000 2.296 1330 M HA -0.091 4.389 4.480 0.000 0.000 0.265 1330 M C 2.123 178.357 176.300 -0.110 0.000 1.064 1330 M CA 0.766 56.006 55.300 -0.099 0.000 1.109 1330 M CB -0.212 32.307 32.600 -0.135 0.000 1.396 1330 M HN -0.066 nan 8.290 nan 0.000 0.430 1331 E N 1.721 121.840 120.200 -0.134 0.000 2.187 1331 E HA -0.240 4.110 4.350 0.000 0.000 0.199 1331 E C 1.692 178.265 176.600 -0.045 0.000 1.004 1331 E CA 1.573 57.912 56.400 -0.101 0.000 0.813 1331 E CB -0.202 29.501 29.700 0.004 0.000 0.736 1331 E HN 0.561 nan 8.360 nan 0.000 0.468 1332 I N 1.092 121.647 120.570 -0.026 0.000 2.163 1332 I HA -0.278 3.892 4.170 0.000 0.000 0.243 1332 I C 1.722 177.822 176.117 -0.029 0.000 1.085 1332 I CA 1.482 62.773 61.300 -0.016 0.000 1.347 1332 I CB -0.243 37.752 38.000 -0.009 0.000 1.044 1332 I HN 0.115 nan 8.210 nan 0.000 0.408 1333 D N 0.243 120.621 120.400 -0.038 0.000 2.366 1333 D HA 0.234 4.874 4.640 0.000 0.000 0.205 1333 D C 0.715 176.986 176.300 -0.048 0.000 1.022 1333 D CA 0.722 54.700 54.000 -0.037 0.000 0.868 1333 D CB 0.699 41.482 40.800 -0.029 0.000 0.953 1333 D HN 0.304 nan 8.370 nan 0.000 0.514 1334 I N 1.412 121.942 120.570 -0.066 0.000 2.668 1334 I HA 0.155 4.325 4.170 0.000 0.000 0.276 1334 I C -1.962 174.067 176.117 -0.147 0.000 1.139 1334 I CA -1.841 59.415 61.300 -0.073 0.000 1.133 1334 I CB 2.209 40.192 38.000 -0.029 0.000 1.327 1334 I HN -0.350 nan 8.210 nan 0.000 0.520 1335 P HA -0.194 nan 4.420 nan 0.000 0.216 1335 P C 0.722 177.971 177.300 -0.084 0.000 1.154 1335 P CA 1.840 64.843 63.100 -0.162 0.000 0.865 1335 P CB -0.002 31.525 31.700 -0.288 0.000 0.789 1336 H N -2.136 116.756 119.070 -0.298 0.000 2.507 1336 H HA 0.174 4.730 4.556 0.000 0.000 0.294 1336 H C 1.645 176.453 175.328 -0.867 0.000 1.064 1336 H CA -0.650 55.093 56.048 -0.509 0.000 1.138 1336 H CB -0.074 29.341 29.762 -0.578 0.000 1.515 1336 H HN -0.097 nan 8.280 nan 0.000 0.547 1337 V N 0.328 119.929 119.914 -0.523 0.000 2.317 1337 V HA -0.316 3.804 4.120 0.000 0.000 0.251 1337 V C 1.499 177.354 176.094 -0.399 0.000 1.065 1337 V CA 1.945 63.959 62.300 -0.477 0.000 1.049 1337 V CB -0.281 31.250 31.823 -0.487 0.000 0.651 1337 V HN 0.625 nan 8.190 nan 0.000 0.450 1338 W N -0.778 120.458 121.300 -0.107 0.000 2.358 1338 W HA -0.144 4.516 4.660 0.000 0.000 0.303 1338 W C 2.263 178.758 176.519 -0.040 0.000 1.208 1338 W CA 1.157 58.475 57.345 -0.044 0.000 1.274 1338 W CB -0.624 28.817 29.460 -0.032 0.000 1.138 1338 W HN 0.286 nan 8.180 nan 0.000 0.515 1339 L N -0.574 120.693 121.223 0.073 0.000 2.046 1339 L HA -0.240 4.101 4.340 0.000 0.000 0.208 1339 L C 2.134 179.110 176.870 0.177 0.000 1.077 1339 L CA 1.865 56.742 54.840 0.062 0.000 0.747 1339 L CB -1.320 40.707 42.059 -0.052 0.000 0.896 1339 L HN 0.011 nan 8.230 nan 0.000 0.432 1340 Y N -0.365 119.986 120.300 0.085 0.000 2.224 1340 Y HA -0.166 4.384 4.550 0.000 0.000 0.289 1340 Y C 2.498 178.430 175.900 0.054 0.000 1.146 1340 Y CA 1.022 59.152 58.100 0.050 0.000 1.182 1340 Y CB -1.043 37.425 38.460 0.013 0.000 0.983 1340 Y HN 0.180 nan 8.280 nan 0.000 0.524 1341 L N -0.858 120.491 121.223 0.210 0.000 2.056 1341 L HA -0.166 4.174 4.340 0.000 0.000 0.207 1341 L C 2.673 179.654 176.870 0.185 0.000 1.078 1341 L CA 1.061 56.001 54.840 0.166 0.000 0.749 1341 L CB -0.828 41.319 42.059 0.148 0.000 0.901 1341 L HN 0.159 nan 8.230 nan 0.000 0.433 1342 A N 0.044 122.982 122.820 0.196 0.000 1.908 1342 A HA -0.235 4.085 4.320 0.000 0.000 0.218 1342 A C 2.124 179.806 177.584 0.163 0.000 1.181 1342 A CA 1.732 53.873 52.037 0.172 0.000 0.627 1342 A CB -0.476 18.616 19.000 0.153 0.000 0.818 1342 A HN 0.474 nan 8.150 nan 0.000 0.445 1343 E N -0.480 119.820 120.200 0.166 0.000 2.204 1343 E HA -0.129 4.221 4.350 0.000 0.000 0.195 1343 E C 1.811 178.492 176.600 0.135 0.000 0.990 1343 E CA 0.956 57.441 56.400 0.142 0.000 0.821 1343 E CB -0.225 29.559 29.700 0.141 0.000 0.750 1343 E HN 0.643 nan 8.360 nan 0.000 0.477 1344 L N -0.029 121.283 121.223 0.148 0.000 2.162 1344 L HA -0.089 4.251 4.340 0.000 0.000 0.205 1344 L C 2.267 179.252 176.870 0.192 0.000 1.086 1344 L CA 0.409 55.339 54.840 0.150 0.000 0.778 1344 L CB 0.086 42.222 42.059 0.128 0.000 0.928 1344 L HN 0.005 nan 8.230 nan 0.000 0.446 1345 V N -1.126 118.913 119.914 0.208 0.000 2.446 1345 V HA -0.191 3.929 4.120 0.000 0.000 0.244 1345 V C 2.476 178.713 176.094 0.238 0.000 1.039 1345 V CA 1.896 64.358 62.300 0.270 0.000 1.045 1345 V CB -0.424 31.561 31.823 0.270 0.000 0.681 1345 V HN 0.415 nan 8.190 nan 0.000 0.459 1346 T N 0.820 115.488 114.554 0.191 0.000 2.680 1346 T HA -0.197 4.153 4.350 0.000 0.000 0.268 1346 T C -0.116 174.647 174.700 0.104 0.000 1.033 1346 T CA 2.367 64.563 62.100 0.160 0.000 1.152 1346 T CB -1.392 67.558 68.868 0.136 0.000 0.859 1346 T HN 0.419 nan 8.240 nan 0.000 0.452 1347 P HA -0.010 nan 4.420 nan 0.000 0.220 1347 P C 1.370 178.633 177.300 -0.062 0.000 1.144 1347 P CA 0.561 63.659 63.100 -0.002 0.000 0.800 1347 P CB -0.147 31.583 31.700 0.049 0.000 0.772 1348 I N -1.173 119.434 120.570 0.062 0.000 2.756 1348 I HA -0.132 4.038 4.170 0.000 0.000 0.262 1348 I C 1.725 177.882 176.117 0.067 0.000 1.225 1348 I CA 1.276 62.616 61.300 0.067 0.000 1.472 1348 I CB -0.961 37.057 38.000 0.029 0.000 1.094 1348 I HN 0.024 nan 8.210 nan 0.000 0.454 1349 L N -0.322 120.928 121.223 0.045 0.000 2.552 1349 L HA -0.042 4.298 4.340 0.000 0.000 0.227 1349 L C 1.121 177.979 176.870 -0.019 0.000 1.146 1349 L CA 0.057 54.919 54.840 0.036 0.000 0.858 1349 L CB -0.277 41.819 42.059 0.061 0.000 0.969 1349 L HN 0.244 nan 8.230 nan 0.000 0.451 1350 Q N 0.520 120.241 119.800 -0.131 0.000 2.454 1350 Q HA 0.009 4.349 4.340 0.000 0.000 0.247 1350 Q C 0.262 176.284 176.000 0.037 0.000 1.028 1350 Q CA -0.280 55.417 55.803 -0.177 0.000 0.910 1350 Q CB 0.481 28.904 28.738 -0.524 0.000 1.276 1350 Q HN -0.021 nan 8.270 nan 0.000 0.489 1351 E N -0.004 120.224 120.200 0.047 0.000 2.653 1351 E HA -0.049 4.301 4.350 0.000 0.000 0.264 1351 E C 0.691 177.408 176.600 0.194 0.000 0.949 1351 E CA 1.761 58.214 56.400 0.089 0.000 0.953 1351 E CB -0.206 29.525 29.700 0.052 0.000 0.925 1351 E HN 0.699 nan 8.360 nan 0.000 0.475 1352 G N 2.191 111.044 108.800 0.089 0.000 2.199 1352 G HA2 -0.227 3.733 3.960 0.000 0.000 0.254 1352 G HA3 -0.227 3.733 3.960 0.000 0.000 0.254 1352 G C 0.617 175.499 174.900 -0.031 0.000 0.982 1352 G CA 0.354 45.458 45.100 0.006 0.000 0.632 1352 G HN 0.949 nan 8.290 nan 0.000 0.529 1353 G N -0.918 107.953 108.800 0.118 0.000 2.714 1353 G HA2 0.616 4.576 3.960 0.000 0.000 0.197 1353 G HA3 0.616 4.576 3.960 0.000 0.000 0.197 1353 G C 0.031 174.934 174.900 0.006 0.000 1.449 1353 G CA 0.190 45.339 45.100 0.083 0.000 1.065 1353 G HN 0.936 nan 8.290 nan 0.000 0.575 1354 V N 1.840 121.758 119.914 0.007 0.000 2.481 1354 V HA 0.304 4.424 4.120 0.000 0.000 0.286 1354 V C -1.979 174.135 176.094 0.033 0.000 1.042 1354 V CA -1.149 61.164 62.300 0.022 0.000 0.928 1354 V CB 1.485 33.344 31.823 0.060 0.000 0.986 1354 V HN 0.421 nan 8.190 nan 0.000 0.462 1355 P HA 0.103 nan 4.420 nan 0.000 0.268 1355 P C 0.898 178.167 177.300 -0.052 0.000 1.205 1355 P CA 0.010 63.097 63.100 -0.022 0.000 0.771 1355 P CB 0.491 32.177 31.700 -0.023 0.000 0.858 1356 M N 3.014 122.527 119.600 -0.145 0.000 2.088 1356 M HA -0.200 4.280 4.480 0.000 0.000 0.256 1356 M C 1.903 177.965 176.300 -0.398 0.000 1.071 1356 M CA 2.858 57.944 55.300 -0.355 0.000 1.097 1356 M CB -1.087 31.220 32.600 -0.489 0.000 1.315 1356 M HN 0.531 nan 8.290 nan 0.000 0.406 1357 G N 0.030 108.659 108.800 -0.284 0.000 2.491 1357 G HA2 -0.267 3.694 3.960 0.000 0.000 0.218 1357 G HA3 -0.267 3.694 3.960 0.000 0.000 0.218 1357 G C 1.205 176.077 174.900 -0.047 0.000 1.180 1357 G CA 1.283 46.260 45.100 -0.205 0.000 0.774 1357 G HN 0.681 nan 8.290 nan 0.000 0.562 1358 E N -0.054 120.143 120.200 -0.005 0.000 2.051 1358 E HA -0.124 4.226 4.350 0.000 0.000 0.192 1358 E C 2.451 179.149 176.600 0.164 0.000 0.991 1358 E CA 0.941 57.386 56.400 0.075 0.000 0.799 1358 E CB -0.272 29.482 29.700 0.091 0.000 0.748 1358 E HN 0.341 nan 8.360 nan 0.000 0.449 1359 L N 0.687 122.035 121.223 0.208 0.000 1.989 1359 L HA -0.197 4.143 4.340 0.000 0.000 0.211 1359 L C 2.187 179.304 176.870 0.412 0.000 1.071 1359 L CA 1.729 56.787 54.840 0.363 0.000 0.749 1359 L CB -0.534 41.744 42.059 0.365 0.000 0.890 1359 L HN -0.012 nan 8.230 nan 0.000 0.431 1360 F N 0.348 120.335 119.950 0.061 0.000 2.126 1360 F HA -0.186 4.341 4.527 0.000 0.000 0.299 1360 F C 2.695 178.541 175.800 0.076 0.000 1.096 1360 F CA 1.512 59.502 58.000 -0.018 0.000 1.255 1360 F CB -0.890 38.014 39.000 -0.159 0.000 0.997 1360 F HN 0.143 nan 8.300 nan 0.000 0.479 1361 R N -0.566 120.128 120.500 0.324 0.000 2.090 1361 R HA -0.127 4.213 4.340 0.000 0.000 0.228 1361 R C 2.051 178.418 176.300 0.111 0.000 1.110 1361 R CA 1.261 57.511 56.100 0.250 0.000 0.973 1361 R CB -0.307 30.066 30.300 0.122 0.000 0.869 1361 R HN 0.135 nan 8.270 nan 0.000 0.440 1362 E N 1.241 121.457 120.200 0.027 0.000 2.021 1362 E HA -0.114 4.236 4.350 0.000 0.000 0.189 1362 E C 1.668 178.224 176.600 -0.074 0.000 0.980 1362 E CA 0.708 57.009 56.400 -0.165 0.000 0.803 1362 E CB -0.225 29.107 29.700 -0.613 0.000 0.766 1362 E HN 0.035 nan 8.360 nan 0.000 0.449 1363 I N 0.940 121.525 120.570 0.026 0.000 2.300 1363 I HA -0.284 3.886 4.170 0.000 0.000 0.252 1363 I C 1.949 178.158 176.117 0.153 0.000 1.119 1363 I CA 2.199 63.631 61.300 0.220 0.000 1.384 1363 I CB -0.488 37.673 38.000 0.268 0.000 1.062 1363 I HN 0.367 nan 8.210 nan 0.000 0.426 1364 T N -3.623 110.980 114.554 0.081 0.000 3.100 1364 T HA 0.019 4.369 4.350 0.000 0.000 0.253 1364 T C 1.732 176.432 174.700 0.000 0.000 1.118 1364 T CA 0.111 62.243 62.100 0.052 0.000 1.058 1364 T CB -0.294 68.638 68.868 0.107 0.000 0.953 1364 T HN 0.325 nan 8.240 nan 0.000 0.515 1365 K N 1.816 122.168 120.400 -0.080 0.000 2.020 1365 K HA -0.079 4.241 4.320 0.000 0.000 0.212 1365 K C -0.652 175.837 176.600 -0.184 0.000 1.050 1365 K CA 1.667 57.863 56.287 -0.151 0.000 0.929 1365 K CB -1.442 30.912 32.500 -0.242 0.000 0.714 1365 K HN 0.331 nan 8.250 nan 0.000 0.443 1366 P HA -0.157 nan 4.420 nan 0.000 0.218 1366 P C 0.801 178.070 177.300 -0.052 0.000 1.146 1366 P CA 1.223 64.206 63.100 -0.195 0.000 0.813 1366 P CB -0.003 31.584 31.700 -0.188 0.000 0.778 1367 L N -1.924 119.287 121.223 -0.019 0.000 2.607 1367 L HA 0.230 4.570 4.340 0.000 0.000 0.228 1367 L C 2.462 179.333 176.870 0.002 0.000 1.123 1367 L CA -0.055 54.794 54.840 0.015 0.000 0.890 1367 L CB -0.507 41.559 42.059 0.012 0.000 1.103 1367 L HN -0.084 nan 8.230 nan 0.000 0.468 1368 R N 1.707 122.198 120.500 -0.015 0.000 2.091 1368 R HA -0.137 4.203 4.340 0.000 0.000 0.238 1368 R C -0.402 175.889 176.300 -0.015 0.000 1.136 1368 R CA 1.655 57.746 56.100 -0.014 0.000 0.959 1368 R CB -0.914 29.365 30.300 -0.036 0.000 0.856 1368 R HN 0.233 nan 8.270 nan 0.000 0.437 1369 P HA -0.098 nan 4.420 nan 0.000 0.213 1369 P C 1.211 178.513 177.300 0.003 0.000 1.170 1369 P CA 1.165 64.260 63.100 -0.009 0.000 0.889 1369 P CB -0.113 31.581 31.700 -0.010 0.000 0.782 1370 L N -1.895 119.339 121.223 0.018 0.000 2.189 1370 L HA -0.101 4.239 4.340 0.000 0.000 0.214 1370 L C 1.613 178.490 176.870 0.011 0.000 1.097 1370 L CA 1.357 56.216 54.840 0.033 0.000 0.764 1370 L CB -1.808 40.295 42.059 0.073 0.000 0.900 1370 L HN 0.213 nan 8.230 nan 0.000 0.436 1371 G N 0.079 108.876 108.800 -0.004 0.000 2.198 1371 G HA2 -0.261 3.699 3.960 0.000 0.000 0.257 1371 G HA3 -0.261 3.699 3.960 0.000 0.000 0.257 1371 G C 0.703 175.578 174.900 -0.043 0.000 1.042 1371 G CA 0.310 45.400 45.100 -0.017 0.000 0.791 1371 G HN 0.301 nan 8.290 nan 0.000 0.502 1372 K N -0.489 119.873 120.400 -0.064 0.000 2.387 1372 K HA 0.515 4.835 4.320 0.000 0.000 0.203 1372 K C 2.349 178.790 176.600 -0.266 0.000 1.030 1372 K CA 0.644 56.820 56.287 -0.185 0.000 1.099 1372 K CB 0.336 32.728 32.500 -0.180 0.000 0.863 1372 K HN 0.505 nan 8.250 nan 0.000 0.529 1373 A N 1.529 124.285 122.820 -0.106 0.000 1.917 1373 A HA -0.217 4.103 4.320 0.000 0.000 0.219 1373 A C 2.319 179.827 177.584 -0.128 0.000 1.182 1373 A CA 2.285 54.277 52.037 -0.075 0.000 0.633 1373 A CB -0.441 18.632 19.000 0.122 0.000 0.819 1373 A HN 0.286 nan 8.150 nan 0.000 0.448 1374 A N -0.715 122.086 122.820 -0.032 0.000 1.908 1374 A HA -0.112 4.208 4.320 0.000 0.000 0.218 1374 A C 2.422 179.952 177.584 -0.091 0.000 1.181 1374 A CA 2.146 54.233 52.037 0.083 0.000 0.627 1374 A CB -0.986 18.071 19.000 0.094 0.000 0.818 1374 A HN 0.479 nan 8.150 nan 0.000 0.445 1375 S N -0.837 114.652 115.700 -0.352 0.000 2.387 1375 S HA -0.166 4.304 4.470 0.000 0.000 0.230 1375 S C 1.819 176.127 174.600 -0.488 0.000 1.035 1375 S CA 1.641 59.475 58.200 -0.610 0.000 1.014 1375 S CB -0.344 62.045 63.200 -1.352 0.000 0.836 1375 S HN 0.518 nan 8.310 nan 0.000 0.466 1376 L N 1.478 122.443 121.223 -0.430 0.000 2.071 1376 L HA 0.207 4.547 4.340 0.000 0.000 0.201 1376 L C 1.905 178.707 176.870 -0.113 0.000 1.076 1376 L CA 1.396 56.174 54.840 -0.104 0.000 0.755 1376 L CB -0.747 41.306 42.059 -0.010 0.000 0.915 1376 L HN 0.235 nan 8.230 nan 0.000 0.445 1377 L N -0.806 120.272 121.223 -0.242 0.000 2.043 1377 L HA -0.282 4.058 4.340 0.000 0.000 0.212 1377 L C 2.606 179.436 176.870 -0.066 0.000 1.075 1377 L CA 1.486 56.096 54.840 -0.383 0.000 0.752 1377 L CB -0.836 40.891 42.059 -0.553 0.000 0.891 1377 L HN 0.332 nan 8.230 nan 0.000 0.432 1378 L N -0.494 120.769 121.223 0.065 0.000 2.012 1378 L HA -0.217 4.123 4.340 0.000 0.000 0.210 1378 L C 2.809 179.723 176.870 0.074 0.000 1.073 1378 L CA 1.243 56.147 54.840 0.108 0.000 0.748 1378 L CB -0.534 41.549 42.059 0.041 0.000 0.891 1378 L HN 0.301 nan 8.230 nan 0.000 0.431 1379 E N 0.010 120.241 120.200 0.051 0.000 2.150 1379 E HA -0.159 4.192 4.350 0.000 0.000 0.193 1379 E C 2.251 178.908 176.600 0.095 0.000 0.985 1379 E CA 1.102 57.548 56.400 0.076 0.000 0.814 1379 E CB -0.068 29.697 29.700 0.108 0.000 0.752 1379 E HN 0.570 nan 8.360 nan 0.000 0.466 1380 I N 0.690 121.310 120.570 0.082 0.000 2.286 1380 I HA -0.232 3.938 4.170 0.000 0.000 0.245 1380 I C 2.392 178.624 176.117 0.191 0.000 1.104 1380 I CA 0.746 62.120 61.300 0.124 0.000 1.397 1380 I CB -0.247 37.796 38.000 0.071 0.000 1.072 1380 I HN 0.046 nan 8.210 nan 0.000 0.417 1381 L N 0.511 121.863 121.223 0.216 0.000 2.131 1381 L HA -0.120 4.220 4.340 0.000 0.000 0.210 1381 L C 2.668 179.661 176.870 0.206 0.000 1.092 1381 L CA 1.403 56.414 54.840 0.285 0.000 0.759 1381 L CB -1.064 41.197 42.059 0.337 0.000 0.903 1381 L HN 0.302 nan 8.230 nan 0.000 0.435 1382 G N 0.242 109.135 108.800 0.155 0.000 2.421 1382 G HA2 -0.202 3.758 3.960 0.000 0.000 0.216 1382 G HA3 -0.202 3.758 3.960 0.000 0.000 0.216 1382 G C 1.618 176.569 174.900 0.085 0.000 1.171 1382 G CA 0.551 45.715 45.100 0.105 0.000 0.775 1382 G HN 0.219 nan 8.290 nan 0.000 0.543 1383 L N -0.057 121.223 121.223 0.095 0.000 2.017 1383 L HA -0.027 4.313 4.340 0.000 0.000 0.208 1383 L C 2.953 179.864 176.870 0.068 0.000 1.073 1383 L CA 0.614 55.504 54.840 0.082 0.000 0.745 1383 L CB -0.495 41.621 42.059 0.095 0.000 0.894 1383 L HN 0.181 nan 8.230 nan 0.000 0.432 1384 L N -1.012 120.264 121.223 0.087 0.000 2.012 1384 L HA -0.287 4.053 4.340 0.000 0.000 0.210 1384 L C 2.831 179.704 176.870 0.004 0.000 1.073 1384 L CA 1.360 56.233 54.840 0.054 0.000 0.748 1384 L CB -0.803 41.320 42.059 0.106 0.000 0.891 1384 L HN 0.412 nan 8.230 nan 0.000 0.431 1385 C N 0.046 119.353 119.300 0.012 0.000 2.398 1385 C HA -0.214 4.246 4.460 0.000 0.000 0.276 1385 C C 2.830 177.833 174.990 0.022 0.000 1.222 1385 C CA 0.945 59.938 59.018 -0.041 0.000 1.746 1385 C CB -0.798 26.890 27.740 -0.088 0.000 2.039 1385 C HN 0.427 nan 8.230 nan 0.000 0.470 1386 K N 0.909 121.339 120.400 0.050 0.000 2.113 1386 K HA -0.168 4.152 4.320 0.000 0.000 0.208 1386 K C 2.116 178.793 176.600 0.128 0.000 1.047 1386 K CA 1.995 58.345 56.287 0.104 0.000 0.928 1386 K CB -0.209 32.338 32.500 0.078 0.000 0.716 1386 K HN 0.703 nan 8.250 nan 0.000 0.446 1387 S N -0.303 115.382 115.700 -0.025 0.000 2.503 1387 S HA 0.015 4.485 4.470 0.000 0.000 0.215 1387 S C 1.583 175.765 174.600 -0.697 0.000 1.003 1387 S CA 0.316 58.409 58.200 -0.179 0.000 0.910 1387 S CB 0.126 63.264 63.200 -0.103 0.000 0.790 1387 S HN 0.406 nan 8.310 nan 0.000 0.514 1388 M N -1.363 117.855 119.600 -0.636 0.000 2.215 1388 M HA 0.518 4.998 4.480 0.000 0.000 0.391 1388 M C 0.467 176.598 176.300 -0.280 0.000 0.914 1388 M CA 0.054 54.900 55.300 -0.757 0.000 1.035 1388 M CB 1.100 33.527 32.600 -0.289 0.000 1.944 1388 M HN 0.283 nan 8.290 nan 0.000 0.656 1389 G N 2.000 110.788 108.800 -0.019 0.000 3.039 1389 G HA2 -0.068 3.892 3.960 0.000 0.000 0.686 1389 G HA3 -0.068 3.892 3.960 0.000 0.000 0.686 1389 G C -2.696 172.177 174.900 -0.045 0.000 1.066 1389 G CA -0.628 44.577 45.100 0.175 0.000 0.774 1389 G HN 0.153 nan 8.290 nan 0.000 0.591 1390 P HA -0.131 nan 4.420 nan 0.000 0.216 1390 P C 1.952 179.076 177.300 -0.293 0.000 1.150 1390 P CA 1.645 64.376 63.100 -0.614 0.000 0.843 1390 P CB 0.153 31.315 31.700 -0.896 0.000 0.787 1391 K N 0.561 120.900 120.400 -0.101 0.000 1.991 1391 K HA -0.242 4.078 4.320 0.000 0.000 0.212 1391 K C 2.185 178.782 176.600 -0.005 0.000 1.049 1391 K CA 2.017 58.298 56.287 -0.011 0.000 0.932 1391 K CB -0.390 32.103 32.500 -0.011 0.000 0.717 1391 K HN -0.095 nan 8.250 nan 0.000 0.441 1392 K N 0.262 120.634 120.400 -0.046 0.000 2.097 1392 K HA -0.110 4.210 4.320 0.000 0.000 0.206 1392 K C 1.882 178.490 176.600 0.014 0.000 1.049 1392 K CA 1.287 57.542 56.287 -0.053 0.000 0.933 1392 K CB 0.064 32.506 32.500 -0.097 0.000 0.717 1392 K HN 0.052 nan 8.250 nan 0.000 0.442 1393 V N 0.634 120.561 119.914 0.023 0.000 2.295 1393 V HA -0.191 3.929 4.120 0.000 0.000 0.246 1393 V C 2.396 178.632 176.094 0.237 0.000 1.049 1393 V CA 2.163 64.529 62.300 0.110 0.000 1.024 1393 V CB -0.967 30.910 31.823 0.091 0.000 0.648 1393 V HN 0.622 nan 8.190 nan 0.000 0.447 1394 G N 0.304 109.283 108.800 0.298 0.000 2.440 1394 G HA2 -0.318 3.642 3.960 0.000 0.000 0.218 1394 G HA3 -0.318 3.642 3.960 0.000 0.000 0.218 1394 G C 1.803 176.852 174.900 0.250 0.000 1.154 1394 G CA 1.844 47.142 45.100 0.330 0.000 0.767 1394 G HN 0.585 nan 8.290 nan 0.000 0.552 1395 T N -0.097 114.550 114.554 0.155 0.000 2.746 1395 T HA -0.007 4.343 4.350 0.000 0.000 0.267 1395 T C 2.427 177.188 174.700 0.103 0.000 1.039 1395 T CA 1.145 63.308 62.100 0.104 0.000 1.142 1395 T CB -0.361 68.529 68.868 0.038 0.000 0.866 1395 T HN 0.188 nan 8.240 nan 0.000 0.444 1396 L N -0.653 120.629 121.223 0.099 0.000 2.046 1396 L HA -0.026 4.314 4.340 0.000 0.000 0.208 1396 L C 2.824 179.741 176.870 0.077 0.000 1.077 1396 L CA 1.789 56.662 54.840 0.056 0.000 0.747 1396 L CB -0.696 41.385 42.059 0.037 0.000 0.896 1396 L HN 0.498 nan 8.230 nan 0.000 0.432 1397 W N 1.744 123.014 121.300 -0.049 0.000 2.333 1397 W HA -0.230 4.430 4.660 -0.000 0.000 0.316 1397 W C 2.507 178.992 176.519 -0.057 0.000 1.215 1397 W CA 1.573 58.871 57.345 -0.078 0.000 1.278 1397 W CB -0.394 29.061 29.460 -0.009 0.000 1.154 1397 W HN 0.080 nan 8.180 nan 0.000 0.486 1398 R N 0.253 120.926 120.500 0.289 0.000 2.083 1398 R HA -0.187 4.153 4.340 0.000 0.000 0.237 1398 R C 2.251 178.553 176.300 0.003 0.000 1.137 1398 R CA 2.275 58.464 56.100 0.148 0.000 0.951 1398 R CB -0.621 29.788 30.300 0.182 0.000 0.851 1398 R HN 0.274 nan 8.270 nan 0.000 0.434 1399 E N -0.056 120.147 120.200 0.004 0.000 2.204 1399 E HA -0.159 4.191 4.350 0.000 0.000 0.195 1399 E C 1.524 178.076 176.600 -0.081 0.000 0.990 1399 E CA 1.001 57.382 56.400 -0.031 0.000 0.821 1399 E CB -0.018 29.669 29.700 -0.021 0.000 0.750 1399 E HN 0.363 nan 8.360 nan 0.000 0.477 1400 A N 0.536 123.273 122.820 -0.139 0.000 2.238 1400 A HA 0.237 4.558 4.320 0.000 0.000 0.208 1400 A C 1.720 179.171 177.584 -0.223 0.000 1.177 1400 A CA 0.649 52.568 52.037 -0.196 0.000 0.804 1400 A CB -0.408 18.418 19.000 -0.290 0.000 0.823 1400 A HN 0.301 nan 8.150 nan 0.000 0.482 1401 G N -0.691 107.990 108.800 -0.198 0.000 2.225 1401 G HA2 -0.251 3.709 3.960 0.000 0.000 0.267 1401 G HA3 -0.251 3.709 3.960 0.000 0.000 0.267 1401 G C 0.114 174.840 174.900 -0.291 0.000 1.024 1401 G CA 0.515 45.505 45.100 -0.183 0.000 0.784 1401 G HN 0.478 nan 8.290 nan 0.000 0.507 1402 L N 0.192 121.092 121.223 -0.537 0.000 2.439 1402 L HA 0.574 4.914 4.340 0.000 0.000 0.269 1402 L C 0.847 177.345 176.870 -0.620 0.000 1.179 1402 L CA 0.328 54.675 54.840 -0.822 0.000 0.828 1402 L CB 1.579 42.625 42.059 -1.689 0.000 1.106 1402 L HN 0.252 nan 8.230 nan 0.000 0.467 1403 S N 0.507 115.983 115.700 -0.374 0.000 2.575 1403 S HA 0.258 4.728 4.470 0.000 0.000 0.278 1403 S C 0.091 174.770 174.600 0.132 0.000 1.139 1403 S CA -0.747 57.450 58.200 -0.006 0.000 0.954 1403 S CB 0.692 63.873 63.200 -0.031 0.000 1.054 1403 S HN 0.585 nan 8.310 nan 0.000 0.483 1404 W N 3.556 125.153 121.300 0.495 0.000 2.421 1404 W HA 0.015 4.675 4.660 -0.000 0.000 0.270 1404 W C 2.314 178.891 176.519 0.097 0.000 1.233 1404 W CA 0.764 58.374 57.345 0.442 0.000 1.226 1404 W CB 0.100 29.735 29.460 0.290 0.000 1.121 1404 W HN 0.745 nan 8.180 nan 0.000 0.579 1405 K N 1.162 121.686 120.400 0.206 0.000 2.074 1405 K HA -0.251 4.069 4.320 0.000 0.000 0.209 1405 K C 1.546 178.073 176.600 -0.121 0.000 1.048 1405 K CA 1.875 58.182 56.287 0.034 0.000 0.926 1405 K CB -0.217 32.284 32.500 0.002 0.000 0.713 1405 K HN 0.189 nan 8.250 nan 0.000 0.444 1406 E N -0.943 119.054 120.200 -0.340 0.000 2.267 1406 E HA -0.181 4.169 4.350 0.000 0.000 0.197 1406 E C 0.908 176.979 176.600 -0.882 0.000 0.998 1406 E CA 1.074 57.021 56.400 -0.754 0.000 0.830 1406 E CB 0.006 28.931 29.700 -1.293 0.000 0.751 1406 E HN 0.411 nan 8.360 nan 0.000 0.491 1407 F N -0.602 119.380 119.950 0.054 0.000 2.746 1407 F HA 0.279 4.806 4.527 0.000 0.000 0.320 1407 F C 0.624 176.431 175.800 0.011 0.000 1.097 1407 F CA -0.242 57.792 58.000 0.056 0.000 1.195 1407 F CB 0.480 39.560 39.000 0.133 0.000 1.056 1407 F HN -0.197 nan 8.300 nan 0.000 0.562 1408 L N 0.819 122.092 121.223 0.085 0.000 2.332 1408 L HA 0.538 4.878 4.340 0.000 0.000 0.269 1408 L C -2.221 174.613 176.870 -0.060 0.000 1.016 1408 L CA -2.068 52.730 54.840 -0.070 0.000 0.809 1408 L CB 1.052 42.982 42.059 -0.214 0.000 1.280 1408 L HN -0.273 nan 8.230 nan 0.000 0.447 1409 P HA 0.101 nan 4.420 nan 0.000 0.271 1409 P C -1.126 176.147 177.300 -0.044 0.000 1.218 1409 P CA -0.474 62.596 63.100 -0.050 0.000 0.780 1409 P CB 0.462 32.135 31.700 -0.046 0.000 0.901 1410 E N 0.948 121.128 120.200 -0.034 0.000 2.452 1410 E HA 0.307 4.657 4.350 0.000 0.000 0.261 1410 E C 1.562 178.148 176.600 -0.023 0.000 0.987 1410 E CA 1.555 57.938 56.400 -0.028 0.000 0.926 1410 E CB -0.481 29.204 29.700 -0.025 0.000 0.934 1410 E HN 0.706 nan 8.360 nan 0.000 0.452 1411 G N 2.387 111.176 108.800 -0.018 0.000 2.320 1411 G HA2 -0.393 3.567 3.960 0.000 0.000 0.242 1411 G HA3 -0.393 3.567 3.960 0.000 0.000 0.242 1411 G C 0.466 175.359 174.900 -0.012 0.000 1.033 1411 G CA 0.336 45.428 45.100 -0.013 0.000 0.620 1411 G HN 0.575 nan 8.290 nan 0.000 0.517 1412 Q N 1.784 121.571 119.800 -0.023 0.000 2.320 1412 Q HA 0.348 4.688 4.340 0.000 0.000 0.311 1412 Q C -0.045 175.949 176.000 -0.011 0.000 1.083 1412 Q CA 0.704 56.491 55.803 -0.026 0.000 1.001 1412 Q CB 0.286 28.983 28.738 -0.070 0.000 1.074 1412 Q HN 0.416 nan 8.270 nan 0.000 0.379 1413 D N 4.613 125.017 120.400 0.008 0.000 2.342 1413 D HA 0.001 4.641 4.640 0.000 0.000 0.260 1413 D C 0.857 177.182 176.300 0.042 0.000 1.278 1413 D CA -0.208 53.804 54.000 0.021 0.000 0.910 1413 D CB 0.395 41.206 40.800 0.018 0.000 1.079 1413 D HN 0.575 nan 8.370 nan 0.000 0.496 1414 I N 3.634 124.232 120.570 0.047 0.000 2.118 1414 I HA -0.200 3.970 4.170 0.000 0.000 0.241 1414 I C 2.403 178.569 176.117 0.081 0.000 1.070 1414 I CA 1.423 62.771 61.300 0.080 0.000 1.327 1414 I CB -1.619 36.453 38.000 0.121 0.000 1.034 1414 I HN 0.606 nan 8.210 nan 0.000 0.405 1415 G N 0.644 109.476 108.800 0.054 0.000 2.505 1415 G HA2 -0.276 3.684 3.960 0.000 0.000 0.220 1415 G HA3 -0.276 3.684 3.960 0.000 0.000 0.220 1415 G C 1.849 176.750 174.900 0.001 0.000 1.145 1415 G CA 1.523 46.639 45.100 0.027 0.000 0.761 1415 G HN 0.545 nan 8.290 nan 0.000 0.571 1416 A N 0.424 123.251 122.820 0.011 0.000 1.841 1416 A HA 0.146 4.466 4.320 0.000 0.000 0.214 1416 A C 2.189 179.750 177.584 -0.039 0.000 1.195 1416 A CA 1.588 53.618 52.037 -0.012 0.000 0.611 1416 A CB -0.697 18.305 19.000 0.004 0.000 0.835 1416 A HN 0.473 nan 8.150 nan 0.000 0.443 1417 F N 1.172 121.025 119.950 -0.160 0.000 2.063 1417 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 1417 F C 2.162 177.766 175.800 -0.327 0.000 1.109 1417 F CA 2.415 60.268 58.000 -0.246 0.000 1.212 1417 F CB -0.486 38.338 39.000 -0.294 0.000 0.973 1417 F HN 0.030 nan 8.300 nan 0.000 0.480 1418 V N 0.661 120.411 119.914 -0.273 0.000 2.392 1418 V HA -0.316 3.804 4.120 0.000 0.000 0.249 1418 V C 2.746 178.629 176.094 -0.352 0.000 1.059 1418 V CA 1.807 63.859 62.300 -0.415 0.000 1.051 1418 V CB -1.687 30.027 31.823 -0.183 0.000 0.658 1418 V HN 0.558 nan 8.190 nan 0.000 0.455 1419 A N 0.802 123.487 122.820 -0.224 0.000 1.898 1419 A HA -0.216 4.104 4.320 0.000 0.000 0.216 1419 A C 2.276 179.738 177.584 -0.203 0.000 1.181 1419 A CA 1.689 53.626 52.037 -0.166 0.000 0.620 1419 A CB -0.409 18.531 19.000 -0.100 0.000 0.819 1419 A HN 0.766 nan 8.150 nan 0.000 0.442 1420 E N -1.360 118.687 120.200 -0.255 0.000 2.072 1420 E HA -0.209 4.141 4.350 0.000 0.000 0.190 1420 E C 1.546 177.952 176.600 -0.323 0.000 0.982 1420 E CA 1.142 57.393 56.400 -0.249 0.000 0.803 1420 E CB -0.355 29.212 29.700 -0.221 0.000 0.755 1420 E HN 0.396 nan 8.360 nan 0.000 0.453 1421 Q N 0.821 120.296 119.800 -0.542 0.000 2.444 1421 Q HA 0.071 4.411 4.340 0.000 0.000 0.206 1421 Q C -0.330 175.458 176.000 -0.353 0.000 0.948 1421 Q CA 0.500 55.977 55.803 -0.543 0.000 0.946 1421 Q CB -0.120 28.037 28.738 -0.967 0.000 1.027 1421 Q HN 0.331 nan 8.270 nan 0.000 0.513 1422 K N -1.274 118.955 120.400 -0.285 0.000 3.162 1422 K HA -0.127 4.193 4.320 0.000 0.000 0.268 1422 K C -0.259 176.281 176.600 -0.100 0.000 1.062 1422 K CA 0.668 56.868 56.287 -0.144 0.000 0.769 1422 K CB -2.509 29.950 32.500 -0.070 0.000 1.274 1422 K HN 0.145 nan 8.250 nan 0.000 0.478 1423 V N -2.927 116.820 119.914 -0.278 0.000 2.838 1423 V HA 0.206 4.326 4.120 0.000 0.000 0.363 1423 V C 1.023 176.788 176.094 -0.549 0.000 1.324 1423 V CA -0.445 61.533 62.300 -0.535 0.000 1.220 1423 V CB 0.807 32.277 31.823 -0.587 0.000 1.328 1423 V HN 0.141 nan 8.190 nan 0.000 0.595 1424 E N 1.198 121.260 120.200 -0.230 0.000 2.267 1424 E HA -0.194 4.156 4.350 0.000 0.000 0.197 1424 E C 1.622 178.171 176.600 -0.086 0.000 0.998 1424 E CA 1.972 58.300 56.400 -0.121 0.000 0.830 1424 E CB -0.669 29.015 29.700 -0.028 0.000 0.751 1424 E HN 1.038 nan 8.360 nan 0.000 0.491 1425 Y N -0.300 119.985 120.300 -0.025 0.000 2.483 1425 Y HA -0.102 4.448 4.550 0.000 0.000 0.291 1425 Y C 2.076 177.959 175.900 -0.029 0.000 1.143 1425 Y CA 1.194 59.286 58.100 -0.013 0.000 1.289 1425 Y CB -1.320 37.136 38.460 -0.007 0.000 0.983 1425 Y HN 0.027 nan 8.280 nan 0.000 0.556 1426 T N -1.698 112.573 114.554 -0.471 0.000 3.085 1426 T HA 0.143 4.493 4.350 0.000 0.000 0.263 1426 T C 0.773 175.420 174.700 -0.088 0.000 1.127 1426 T CA -0.013 61.807 62.100 -0.467 0.000 1.103 1426 T CB -0.610 67.592 68.868 -1.110 0.000 0.921 1426 T HN 0.301 nan 8.240 nan 0.000 0.510 1439 L N 1.524 122.759 121.223 0.020 0.000 2.453 1439 L HA 0.191 4.531 4.340 0.000 0.000 0.272 1439 L C -1.424 175.463 176.870 0.028 0.000 1.182 1439 L CA -1.364 53.489 54.840 0.022 0.000 0.858 1439 L CB 0.719 42.791 42.059 0.021 0.000 1.120 1439 L HN 0.549 nan 8.230 nan 0.000 0.474 1440 P HA -0.182 nan 4.420 nan 0.000 0.216 1440 P C 1.623 178.950 177.300 0.045 0.000 1.150 1440 P CA 1.326 64.450 63.100 0.039 0.000 0.837 1440 P CB 0.206 31.925 31.700 0.031 0.000 0.786 1441 S N -0.462 115.259 115.700 0.035 0.000 2.382 1441 S HA -0.185 4.285 4.470 0.000 0.000 0.228 1441 S C 1.840 176.458 174.600 0.030 0.000 1.027 1441 S CA 1.225 59.446 58.200 0.034 0.000 0.991 1441 S CB -1.082 62.135 63.200 0.028 0.000 0.823 1441 S HN 0.241 nan 8.310 nan 0.000 0.469 1442 E N 0.753 120.969 120.200 0.026 0.000 2.158 1442 E HA -0.033 4.317 4.350 0.000 0.000 0.191 1442 E C 2.065 178.676 176.600 0.018 0.000 0.982 1442 E CA 0.854 57.264 56.400 0.017 0.000 0.823 1442 E CB -0.131 29.579 29.700 0.016 0.000 0.766 1442 E HN 0.551 nan 8.360 nan 0.000 0.468 1443 E N 1.527 121.747 120.200 0.033 0.000 2.110 1443 E HA -0.150 4.200 4.350 0.000 0.000 0.193 1443 E C 1.891 178.522 176.600 0.052 0.000 0.988 1443 E CA 0.592 57.018 56.400 0.043 0.000 0.804 1443 E CB -0.202 29.536 29.700 0.065 0.000 0.745 1443 E HN 0.179 nan 8.360 nan 0.000 0.458 1444 L N 0.509 121.773 121.223 0.068 0.000 1.990 1444 L HA -0.286 4.054 4.340 0.000 0.000 0.213 1444 L C 1.790 178.656 176.870 -0.006 0.000 1.072 1444 L CA 1.819 56.706 54.840 0.078 0.000 0.755 1444 L CB -0.496 41.608 42.059 0.075 0.000 0.889 1444 L HN 0.279 nan 8.230 nan 0.000 0.432 1445 N N 0.140 118.830 118.700 -0.015 0.000 2.094 1445 N HA -0.226 4.514 4.740 0.000 0.000 0.191 1445 N C 1.791 177.255 175.510 -0.077 0.000 1.023 1445 N CA 1.462 54.483 53.050 -0.048 0.000 0.857 1445 N CB -0.402 38.060 38.487 -0.042 0.000 1.013 1445 N HN 0.418 nan 8.380 nan 0.000 0.426 1446 R N 0.922 121.386 120.500 -0.060 0.000 2.096 1446 R HA -0.065 4.275 4.340 0.000 0.000 0.235 1446 R C 2.218 178.450 176.300 -0.113 0.000 1.127 1446 R CA 1.166 57.224 56.100 -0.071 0.000 0.968 1446 R CB -0.174 30.103 30.300 -0.038 0.000 0.861 1446 R HN 0.450 nan 8.270 nan 0.000 0.440 1447 Q N 0.321 120.036 119.800 -0.143 0.000 2.137 1447 Q HA -0.029 4.311 4.340 0.000 0.000 0.198 1447 Q C 2.196 177.915 176.000 -0.468 0.000 0.960 1447 Q CA 0.930 56.550 55.803 -0.304 0.000 0.847 1447 Q CB 0.036 28.581 28.738 -0.322 0.000 0.915 1447 Q HN 0.316 nan 8.270 nan 0.000 0.448 1448 L N 0.699 121.699 121.223 -0.372 0.000 2.056 1448 L HA -0.184 4.156 4.340 0.000 0.000 0.207 1448 L C 2.549 179.296 176.870 -0.205 0.000 1.078 1448 L CA 1.282 55.930 54.840 -0.321 0.000 0.749 1448 L CB -0.439 41.506 42.059 -0.190 0.000 0.901 1448 L HN 0.335 nan 8.230 nan 0.000 0.433 1449 E N 1.024 121.135 120.200 -0.148 0.000 2.058 1449 E HA -0.315 4.035 4.350 0.000 0.000 0.194 1449 E C 2.245 178.793 176.600 -0.087 0.000 0.997 1449 E CA 1.690 58.038 56.400 -0.087 0.000 0.801 1449 E CB -0.009 29.634 29.700 -0.094 0.000 0.746 1449 E HN 0.317 nan 8.360 nan 0.000 0.450 1450 K N 0.475 120.798 120.400 -0.129 0.000 2.026 1450 K HA -0.172 4.148 4.320 0.000 0.000 0.208 1450 K C 2.379 178.898 176.600 -0.135 0.000 1.048 1450 K CA 1.475 57.692 56.287 -0.117 0.000 0.929 1450 K CB -0.222 32.200 32.500 -0.129 0.000 0.713 1450 K HN 0.213 nan 8.250 nan 0.000 0.439 1451 L N 1.120 122.210 121.223 -0.221 0.000 2.013 1451 L HA -0.259 4.081 4.340 0.000 0.000 0.212 1451 L C 2.513 179.310 176.870 -0.121 0.000 1.073 1451 L CA 1.391 56.103 54.840 -0.214 0.000 0.753 1451 L CB -0.524 41.337 42.059 -0.330 0.000 0.890 1451 L HN 0.276 nan 8.230 nan 0.000 0.432 1452 L N -0.581 120.584 121.223 -0.097 0.000 2.056 1452 L HA -0.194 4.146 4.340 0.000 0.000 0.207 1452 L C 2.666 179.525 176.870 -0.017 0.000 1.078 1452 L CA 0.985 55.799 54.840 -0.043 0.000 0.749 1452 L CB -0.567 41.487 42.059 -0.009 0.000 0.901 1452 L HN 0.196 nan 8.230 nan 0.000 0.433 1453 K N 1.609 122.003 120.400 -0.011 0.000 2.074 1453 K HA -0.227 4.093 4.320 0.000 0.000 0.209 1453 K C 1.698 178.293 176.600 -0.008 0.000 1.048 1453 K CA 1.816 58.106 56.287 0.006 0.000 0.926 1453 K CB -0.202 32.300 32.500 0.003 0.000 0.713 1453 K HN 0.560 nan 8.250 nan 0.000 0.444 1454 E N -0.977 119.207 120.200 -0.026 0.000 2.463 1454 E HA 0.099 4.450 4.350 0.000 0.000 0.191 1454 E C 0.577 177.166 176.600 -0.018 0.000 1.083 1454 E CA 0.395 56.782 56.400 -0.022 0.000 0.872 1454 E CB -0.302 29.381 29.700 -0.029 0.000 0.966 1454 E HN 0.351 nan 8.360 nan 0.000 0.491 1455 G N 1.297 110.086 108.800 -0.018 0.000 2.249 1455 G HA2 -0.323 3.637 3.960 0.000 0.000 0.273 1455 G HA3 -0.323 3.637 3.960 0.000 0.000 0.273 1455 G C 0.079 174.967 174.900 -0.020 0.000 1.036 1455 G CA 0.436 45.527 45.100 -0.015 0.000 0.824 1455 G HN 0.339 nan 8.290 nan 0.000 0.504 1456 S N 0.204 115.884 115.700 -0.033 0.000 2.558 1456 S HA 0.468 4.939 4.470 0.000 0.000 0.288 1456 S C 1.143 175.722 174.600 -0.035 0.000 1.318 1456 S CA 0.229 58.409 58.200 -0.032 0.000 1.056 1456 S CB 1.100 64.269 63.200 -0.052 0.000 0.853 1456 S HN 1.503 nan 8.310 nan 0.000 0.505 1457 S N 2.744 118.431 115.700 -0.022 0.000 2.624 1457 S HA 0.210 4.680 4.470 0.000 0.000 0.263 1457 S C 0.971 175.529 174.600 -0.070 0.000 1.287 1457 S CA -0.679 57.505 58.200 -0.027 0.000 0.990 1457 S CB 0.289 63.491 63.200 0.003 0.000 0.950 1457 S HN 0.623 nan 8.310 nan 0.000 0.561 1458 N N 1.119 119.753 118.700 -0.110 0.000 2.149 1458 N HA -0.108 4.632 4.740 0.000 0.000 0.188 1458 N C 1.801 177.138 175.510 -0.288 0.000 1.019 1458 N CA 1.242 54.113 53.050 -0.298 0.000 0.857 1458 N CB -0.539 37.768 38.487 -0.299 0.000 0.997 1458 N HN 0.572 nan 8.380 nan 0.000 0.426 1459 Q N 0.630 120.441 119.800 0.017 0.000 2.050 1459 Q HA -0.100 4.240 4.340 0.000 0.000 0.202 1459 Q C 2.132 178.233 176.000 0.168 0.000 0.980 1459 Q CA 1.013 56.940 55.803 0.207 0.000 0.840 1459 Q CB -0.426 28.415 28.738 0.172 0.000 0.898 1459 Q HN 0.449 nan 8.270 nan 0.000 0.424 1460 R N 0.254 120.807 120.500 0.089 0.000 2.091 1460 R HA -0.121 4.219 4.340 0.000 0.000 0.238 1460 R C 2.152 178.538 176.300 0.144 0.000 1.136 1460 R CA 1.419 57.583 56.100 0.107 0.000 0.959 1460 R CB -0.027 30.309 30.300 0.060 0.000 0.856 1460 R HN 0.098 nan 8.270 nan 0.000 0.437 1461 V N 0.563 120.505 119.914 0.046 0.000 2.358 1461 V HA -0.202 3.918 4.120 0.000 0.000 0.246 1461 V C 2.082 178.311 176.094 0.224 0.000 1.047 1461 V CA 1.528 63.865 62.300 0.063 0.000 1.035 1461 V CB -0.644 31.113 31.823 -0.111 0.000 0.658 1461 V HN 0.200 nan 8.190 nan 0.000 0.452 1462 F N 1.134 121.197 119.950 0.189 0.000 2.095 1462 F HA -0.174 4.354 4.527 0.000 0.000 0.298 1462 F C 2.353 178.262 175.800 0.182 0.000 1.104 1462 F CA 1.549 59.671 58.000 0.203 0.000 1.232 1462 F CB -0.981 38.107 39.000 0.147 0.000 0.987 1462 F HN 0.247 nan 8.300 nan 0.000 0.475 1463 D N -1.369 119.244 120.400 0.356 0.000 2.097 1463 D HA -0.237 4.403 4.640 0.000 0.000 0.195 1463 D C 2.082 178.501 176.300 0.197 0.000 0.989 1463 D CA 1.150 55.286 54.000 0.225 0.000 0.827 1463 D CB -0.921 39.984 40.800 0.177 0.000 0.966 1463 D HN 0.406 nan 8.370 nan 0.000 0.456 1464 W N 1.685 123.037 121.300 0.087 0.000 2.335 1464 W HA -0.173 4.487 4.660 0.000 0.000 0.311 1464 W C 2.195 178.746 176.519 0.053 0.000 1.213 1464 W CA 1.391 58.768 57.345 0.053 0.000 1.274 1464 W CB -0.421 29.057 29.460 0.030 0.000 1.148 1464 W HN -0.127 nan 8.180 nan 0.000 0.498 1465 I N 0.452 121.238 120.570 0.359 0.000 2.163 1465 I HA -0.338 3.832 4.170 0.000 0.000 0.243 1465 I C 2.499 178.600 176.117 -0.026 0.000 1.085 1465 I CA 1.633 63.038 61.300 0.174 0.000 1.347 1465 I CB -0.699 37.455 38.000 0.256 0.000 1.044 1465 I HN -0.020 nan 8.210 nan 0.000 0.408 1466 E N 0.773 121.006 120.200 0.055 0.000 2.110 1466 E HA -0.184 4.166 4.350 0.000 0.000 0.193 1466 E C 2.262 178.810 176.600 -0.087 0.000 0.988 1466 E CA 1.514 57.921 56.400 0.012 0.000 0.804 1466 E CB -0.210 29.523 29.700 0.055 0.000 0.745 1466 E HN 0.521 nan 8.360 nan 0.000 0.458 1467 A N 0.889 123.615 122.820 -0.158 0.000 2.067 1467 A HA -0.043 4.277 4.320 0.000 0.000 0.217 1467 A C 1.731 179.110 177.584 -0.341 0.000 1.156 1467 A CA 0.811 52.719 52.037 -0.215 0.000 0.683 1467 A CB -0.037 18.842 19.000 -0.200 0.000 0.808 1467 A HN 0.130 nan 8.150 nan 0.000 0.455 1468 N N -0.990 117.377 118.700 -0.555 0.000 2.273 1468 N HA 0.239 4.979 4.740 0.000 0.000 0.192 1468 N C -0.122 175.162 175.510 -0.377 0.000 1.132 1468 N CA 0.148 52.822 53.050 -0.628 0.000 0.887 1468 N CB 0.614 38.288 38.487 -1.355 0.000 1.048 1468 N HN 0.329 nan 8.380 nan 0.000 0.490 1469 L N 0.953 122.019 121.223 -0.262 0.000 2.322 1469 L HA 0.385 4.725 4.340 0.000 0.000 0.269 1469 L C 0.807 177.632 176.870 -0.075 0.000 1.012 1469 L CA -0.701 54.064 54.840 -0.126 0.000 0.815 1469 L CB 1.724 43.743 42.059 -0.067 0.000 1.295 1469 L HN -0.030 nan 8.230 nan 0.000 0.438 1470 S N -0.483 115.191 115.700 -0.042 0.000 2.655 1470 S HA 0.168 4.638 4.470 0.000 0.000 0.265 1470 S C 0.766 175.364 174.600 -0.004 0.000 1.240 1470 S CA -0.536 57.650 58.200 -0.024 0.000 0.986 1470 S CB 1.309 64.499 63.200 -0.016 0.000 0.985 1470 S HN 0.695 nan 8.310 nan 0.000 0.562 1471 E N 0.250 120.451 120.200 0.002 0.000 2.058 1471 E HA -0.194 4.156 4.350 0.000 0.000 0.194 1471 E C 2.176 178.791 176.600 0.025 0.000 0.997 1471 E CA 1.523 57.932 56.400 0.016 0.000 0.801 1471 E CB -0.149 29.557 29.700 0.011 0.000 0.746 1471 E HN 0.579 nan 8.360 nan 0.000 0.450 1472 Q N 0.482 120.293 119.800 0.019 0.000 2.050 1472 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 1472 Q C 2.104 178.122 176.000 0.030 0.000 0.980 1472 Q CA 1.349 57.166 55.803 0.024 0.000 0.840 1472 Q CB -0.391 28.357 28.738 0.017 0.000 0.898 1472 Q HN 0.442 nan 8.270 nan 0.000 0.424 1473 Q N 0.078 119.891 119.800 0.021 0.000 2.135 1473 Q HA -0.095 4.245 4.340 0.000 0.000 0.204 1473 Q C 2.227 178.245 176.000 0.031 0.000 0.981 1473 Q CA 0.931 56.746 55.803 0.021 0.000 0.856 1473 Q CB -0.173 28.570 28.738 0.008 0.000 0.902 1473 Q HN 0.386 nan 8.270 nan 0.000 0.425 1474 I N 0.573 121.169 120.570 0.043 0.000 2.361 1474 I HA -0.194 3.976 4.170 0.000 0.000 0.251 1474 I C 1.966 178.173 176.117 0.150 0.000 1.133 1474 I CA 0.994 62.346 61.300 0.087 0.000 1.413 1474 I CB -0.116 37.953 38.000 0.114 0.000 1.073 1474 I HN 0.140 nan 8.210 nan 0.000 0.424 1475 V N -2.115 117.867 119.914 0.114 0.000 3.542 1475 V HA 0.198 4.318 4.120 0.000 0.000 0.296 1475 V C 1.001 177.152 176.094 0.096 0.000 1.364 1475 V CA -0.317 62.058 62.300 0.124 0.000 1.118 1475 V CB -0.990 30.883 31.823 0.083 0.000 0.972 1475 V HN 0.336 nan 8.190 nan 0.000 0.430 1476 S N 0.802 116.547 115.700 0.075 0.000 2.585 1476 S HA 0.247 4.717 4.470 0.000 0.000 0.273 1476 S C 0.875 175.513 174.600 0.063 0.000 1.339 1476 S CA -0.061 58.174 58.200 0.058 0.000 1.028 1476 S CB 0.741 63.966 63.200 0.043 0.000 0.906 1476 S HN 0.423 nan 8.310 nan 0.000 0.528 1477 N N 1.633 120.369 118.700 0.059 0.000 2.244 1477 N HA -0.063 4.677 4.740 0.000 0.000 0.183 1477 N C 1.627 177.170 175.510 0.055 0.000 1.016 1477 N CA 1.391 54.479 53.050 0.063 0.000 0.866 1477 N CB -1.038 37.489 38.487 0.067 0.000 0.980 1477 N HN 0.757 nan 8.380 nan 0.000 0.430 1478 T N 2.230 116.811 114.554 0.046 0.000 2.684 1478 T HA -0.121 4.229 4.350 0.000 0.000 0.267 1478 T C 2.031 176.747 174.700 0.026 0.000 1.036 1478 T CA 0.743 62.866 62.100 0.037 0.000 1.148 1478 T CB -0.342 68.546 68.868 0.033 0.000 0.863 1478 T HN 0.223 nan 8.240 nan 0.000 0.436 1479 L N 1.087 122.319 121.223 0.015 0.000 2.017 1479 L HA -0.112 4.228 4.340 0.000 0.000 0.208 1479 L C 2.451 179.309 176.870 -0.020 0.000 1.073 1479 L CA 1.321 56.145 54.840 -0.026 0.000 0.745 1479 L CB -0.467 41.544 42.059 -0.080 0.000 0.894 1479 L HN 0.076 nan 8.230 nan 0.000 0.432 1480 V N 0.474 120.405 119.914 0.029 0.000 2.252 1480 V HA -0.347 3.773 4.120 0.000 0.000 0.249 1480 V C 2.751 178.871 176.094 0.044 0.000 1.056 1480 V CA 2.405 64.742 62.300 0.061 0.000 1.022 1480 V CB -0.728 31.144 31.823 0.081 0.000 0.641 1480 V HN 0.493 nan 8.190 nan 0.000 0.445 1481 R N -0.202 120.324 120.500 0.044 0.000 2.073 1481 R HA -0.134 4.206 4.340 0.000 0.000 0.234 1481 R C 2.450 178.766 176.300 0.026 0.000 1.134 1481 R CA 1.537 57.663 56.100 0.044 0.000 0.952 1481 R CB -0.672 29.662 30.300 0.057 0.000 0.850 1481 R HN 0.550 nan 8.270 nan 0.000 0.433 1482 A N 1.382 124.211 122.820 0.015 0.000 1.877 1482 A HA -0.147 4.173 4.320 0.000 0.000 0.216 1482 A C 2.177 179.756 177.584 -0.007 0.000 1.186 1482 A CA 1.026 53.063 52.037 0.000 0.000 0.620 1482 A CB -0.621 18.376 19.000 -0.004 0.000 0.822 1482 A HN 0.248 nan 8.150 nan 0.000 0.443 1483 L N -1.596 119.620 121.223 -0.011 0.000 2.017 1483 L HA -0.216 4.124 4.340 0.000 0.000 0.208 1483 L C 2.730 179.612 176.870 0.020 0.000 1.073 1483 L CA 2.358 57.193 54.840 -0.008 0.000 0.745 1483 L CB -0.332 41.721 42.059 -0.012 0.000 0.894 1483 L HN 0.539 nan 8.230 nan 0.000 0.432 1484 M N -0.498 119.119 119.600 0.028 0.000 2.080 1484 M HA -0.200 4.280 4.480 0.000 0.000 0.260 1484 M C 2.085 178.395 176.300 0.016 0.000 1.068 1484 M CA 2.306 57.622 55.300 0.027 0.000 1.109 1484 M CB -0.613 31.998 32.600 0.018 0.000 1.342 1484 M HN 0.092 nan 8.290 nan 0.000 0.405 1485 T N 0.608 115.170 114.554 0.013 0.000 2.674 1485 T HA -0.082 4.268 4.350 0.000 0.000 0.265 1485 T C 1.832 176.569 174.700 0.062 0.000 1.039 1485 T CA 1.777 63.887 62.100 0.018 0.000 1.150 1485 T CB -0.836 68.036 68.868 0.007 0.000 0.864 1485 T HN 0.558 nan 8.240 nan 0.000 0.427 1486 A N 0.933 123.779 122.820 0.043 0.000 1.877 1486 A HA -0.058 4.262 4.320 0.000 0.000 0.216 1486 A C 2.617 180.273 177.584 0.120 0.000 1.186 1486 A CA 1.468 53.547 52.037 0.070 0.000 0.620 1486 A CB -1.109 17.892 19.000 0.002 0.000 0.822 1486 A HN 0.338 nan 8.150 nan 0.000 0.443 1487 V N -0.836 119.124 119.914 0.077 0.000 2.295 1487 V HA -0.323 3.797 4.120 0.000 0.000 0.246 1487 V C 2.683 178.856 176.094 0.132 0.000 1.049 1487 V CA 2.139 64.490 62.300 0.086 0.000 1.024 1487 V CB -0.983 30.879 31.823 0.066 0.000 0.648 1487 V HN 0.720 nan 8.190 nan 0.000 0.447 1488 C N -1.166 118.207 119.300 0.122 0.000 2.425 1488 C HA -0.157 4.303 4.460 0.000 0.000 0.277 1488 C C 2.607 177.721 174.990 0.206 0.000 1.280 1488 C CA 1.001 60.115 59.018 0.161 0.000 1.744 1488 C CB -1.069 26.561 27.740 -0.184 0.000 1.989 1488 C HN 0.706 nan 8.230 nan 0.000 0.491 1489 Y N 2.759 123.100 120.300 0.067 0.000 2.181 1489 Y HA -0.212 4.338 4.550 0.000 0.000 0.288 1489 Y C 2.707 178.697 175.900 0.151 0.000 1.146 1489 Y CA 2.057 60.222 58.100 0.110 0.000 1.164 1489 Y CB -0.489 38.020 38.460 0.081 0.000 0.982 1489 Y HN 0.400 nan 8.280 nan 0.000 0.515 1490 S N -0.221 115.559 115.700 0.134 0.000 2.469 1490 S HA -0.070 4.400 4.470 0.000 0.000 0.238 1490 S C 1.769 176.368 174.600 -0.002 0.000 0.998 1490 S CA 0.684 58.917 58.200 0.056 0.000 0.957 1490 S CB -0.675 62.581 63.200 0.094 0.000 0.764 1490 S HN 0.472 nan 8.310 nan 0.000 0.514 1491 A N 0.450 123.289 122.820 0.032 0.000 2.345 1491 A HA 0.509 4.829 4.320 0.000 0.000 0.225 1491 A C 0.606 178.140 177.584 -0.084 0.000 1.243 1491 A CA -0.476 51.562 52.037 0.002 0.000 0.875 1491 A CB -0.286 18.754 19.000 0.067 0.000 0.929 1491 A HN 0.577 nan 8.150 nan 0.000 0.502 1492 I N 1.021 121.507 120.570 -0.140 0.000 2.441 1492 I HA 0.195 4.365 4.170 0.000 0.000 0.287 1492 I C -0.447 175.462 176.117 -0.347 0.000 1.049 1492 I CA 0.027 61.133 61.300 -0.322 0.000 1.381 1492 I CB 1.205 38.849 38.000 -0.594 0.000 1.409 1492 I HN 0.114 nan 8.210 nan 0.000 0.523 1493 I N 6.691 127.054 120.570 -0.344 0.000 2.307 1493 I HA 0.157 4.327 4.170 0.000 0.000 0.289 1493 I C -0.425 175.528 176.117 -0.273 0.000 1.021 1493 I CA -0.369 60.814 61.300 -0.194 0.000 1.224 1493 I CB 0.585 38.503 38.000 -0.137 0.000 1.376 1493 I HN 0.421 nan 8.210 nan 0.000 0.470 1494 F N 5.669 125.578 119.950 -0.069 0.000 2.659 1494 F HA 0.219 4.746 4.527 0.000 0.000 0.360 1494 F C 0.974 176.756 175.800 -0.029 0.000 1.218 1494 F CA 0.020 57.992 58.000 -0.046 0.000 1.317 1494 F CB -0.409 38.567 39.000 -0.040 0.000 1.697 1494 F HN 0.495 nan 8.300 nan 0.000 0.637 1495 E N -0.506 119.713 120.200 0.032 0.000 2.469 1495 E HA 0.523 4.873 4.350 0.000 0.000 0.246 1495 E C -0.430 176.178 176.600 0.014 0.000 0.969 1495 E CA -1.009 55.407 56.400 0.028 0.000 0.881 1495 E CB 1.323 31.019 29.700 -0.006 0.000 1.320 1495 E HN -0.015 nan 8.360 nan 0.000 0.421 1496 T N 2.918 117.478 114.554 0.008 0.000 2.892 1496 T HA 0.332 4.682 4.350 0.000 0.000 0.311 1496 T C -2.057 172.637 174.700 -0.010 0.000 1.033 1496 T CA -1.147 60.955 62.100 0.003 0.000 0.991 1496 T CB 0.934 69.812 68.868 0.016 0.000 0.981 1496 T HN 0.346 nan 8.240 nan 0.000 0.457 1497 P HA 0.487 nan 4.420 nan 0.000 0.282 1497 P C -0.445 176.819 177.300 -0.060 0.000 1.287 1497 P CA -0.769 62.311 63.100 -0.033 0.000 0.792 1497 P CB 1.018 32.696 31.700 -0.036 0.000 1.163 1498 L N 0.329 121.500 121.223 -0.087 0.000 2.439 1498 L HA 0.336 4.676 4.340 0.000 0.000 0.269 1498 L C 1.288 178.061 176.870 -0.162 0.000 1.179 1498 L CA -0.271 54.472 54.840 -0.162 0.000 0.828 1498 L CB 0.142 42.072 42.059 -0.215 0.000 1.106 1498 L HN 0.530 nan 8.230 nan 0.000 0.467 1499 R N 1.247 121.625 120.500 -0.202 0.000 2.869 1499 R HA 0.776 5.116 4.340 0.000 0.000 0.263 1499 R C -1.669 174.466 176.300 -0.276 0.000 1.066 1499 R CA -0.983 54.996 56.100 -0.203 0.000 0.960 1499 R CB 1.485 31.694 30.300 -0.152 0.000 1.221 1499 R HN 0.236 nan 8.270 nan 0.000 0.474 1500 V N 1.179 120.895 119.914 -0.330 0.000 2.435 1500 V HA 0.143 4.263 4.120 0.000 0.000 0.290 1500 V C -0.497 175.421 176.094 -0.293 0.000 1.030 1500 V CA -0.575 61.451 62.300 -0.457 0.000 0.881 1500 V CB 1.442 32.802 31.823 -0.773 0.000 0.983 1500 V HN 0.721 nan 8.190 nan 0.000 0.445 1501 D N 3.909 124.171 120.400 -0.230 0.000 2.453 1501 D HA 0.104 4.744 4.640 0.000 0.000 0.223 1501 D C 1.159 177.383 176.300 -0.128 0.000 1.183 1501 D CA -0.218 53.696 54.000 -0.143 0.000 0.933 1501 D CB 1.487 42.229 40.800 -0.097 0.000 1.038 1501 D HN 0.416 nan 8.370 nan 0.000 0.513 1502 V N 2.807 122.646 119.914 -0.125 0.000 2.568 1502 V HA -0.179 3.941 4.120 0.000 0.000 0.253 1502 V C 2.069 178.133 176.094 -0.051 0.000 1.072 1502 V CA 1.699 63.944 62.300 -0.092 0.000 1.084 1502 V CB -0.988 30.788 31.823 -0.080 0.000 0.676 1502 V HN 0.439 nan 8.190 nan 0.000 0.469 1503 A N 0.334 123.126 122.820 -0.047 0.000 1.933 1503 A HA -0.052 4.268 4.320 0.000 0.000 0.218 1503 A C 2.363 179.936 177.584 -0.020 0.000 1.175 1503 A CA 2.046 54.066 52.037 -0.029 0.000 0.628 1503 A CB -0.757 18.227 19.000 -0.027 0.000 0.814 1503 A HN 0.473 nan 8.150 nan 0.000 0.444 1504 V N 0.106 120.006 119.914 -0.024 0.000 2.307 1504 V HA -0.239 3.881 4.120 0.000 0.000 0.245 1504 V C 2.561 178.660 176.094 0.008 0.000 1.045 1504 V CA 1.854 64.150 62.300 -0.008 0.000 1.024 1504 V CB -0.738 31.080 31.823 -0.009 0.000 0.651 1504 V HN 0.569 nan 8.190 nan 0.000 0.449 1505 L N -0.113 121.117 121.223 0.012 0.000 1.989 1505 L HA -0.250 4.090 4.340 0.000 0.000 0.211 1505 L C 2.602 179.490 176.870 0.030 0.000 1.071 1505 L CA 2.238 57.102 54.840 0.040 0.000 0.749 1505 L CB -0.687 41.401 42.059 0.047 0.000 0.890 1505 L HN 0.316 nan 8.230 nan 0.000 0.431 1506 K N 0.390 120.797 120.400 0.013 0.000 2.044 1506 K HA -0.239 4.081 4.320 0.000 0.000 0.210 1506 K C 2.062 178.670 176.600 0.012 0.000 1.049 1506 K CA 1.680 57.973 56.287 0.010 0.000 0.927 1506 K CB -0.180 32.320 32.500 -0.001 0.000 0.713 1506 K HN 0.287 nan 8.250 nan 0.000 0.443 1507 A N 0.854 123.677 122.820 0.007 0.000 2.019 1507 A HA -0.104 4.216 4.320 0.000 0.000 0.219 1507 A C 1.785 179.370 177.584 0.001 0.000 1.164 1507 A CA 1.210 53.249 52.037 0.003 0.000 0.644 1507 A CB -0.247 18.752 19.000 -0.003 0.000 0.805 1507 A HN 0.228 nan 8.150 nan 0.000 0.449 1508 R N -0.891 119.614 120.500 0.009 0.000 2.312 1508 R HA 0.325 4.665 4.340 0.000 0.000 0.205 1508 R C 2.070 178.387 176.300 0.029 0.000 0.904 1508 R CA 0.776 56.879 56.100 0.004 0.000 1.052 1508 R CB -1.083 29.225 30.300 0.013 0.000 1.014 1508 R HN 0.470 nan 8.270 nan 0.000 0.503 1509 A N 1.758 124.602 122.820 0.040 0.000 1.915 1509 A HA -0.281 4.039 4.320 0.000 0.000 0.220 1509 A C 2.011 179.638 177.584 0.071 0.000 1.198 1509 A CA 1.962 54.031 52.037 0.053 0.000 0.647 1509 A CB -0.253 18.771 19.000 0.041 0.000 0.825 1509 A HN 0.088 nan 8.150 nan 0.000 0.456 1510 K N -0.563 119.885 120.400 0.080 0.000 2.097 1510 K HA 0.043 4.363 4.320 0.000 0.000 0.206 1510 K C 1.858 178.596 176.600 0.230 0.000 1.049 1510 K CA 0.930 57.300 56.287 0.139 0.000 0.933 1510 K CB -0.444 32.153 32.500 0.163 0.000 0.717 1510 K HN 0.539 nan 8.250 nan 0.000 0.442 1511 L N 0.148 121.446 121.223 0.125 0.000 2.017 1511 L HA -0.191 4.149 4.340 0.000 0.000 0.208 1511 L C 1.903 178.924 176.870 0.251 0.000 1.073 1511 L CA 1.433 56.323 54.840 0.082 0.000 0.745 1511 L CB -0.177 41.801 42.059 -0.135 0.000 0.894 1511 L HN 0.219 nan 8.230 nan 0.000 0.432 1512 L N -0.785 120.536 121.223 0.164 0.000 2.056 1512 L HA -0.244 4.096 4.340 0.000 0.000 0.207 1512 L C 2.680 179.639 176.870 0.148 0.000 1.078 1512 L CA 1.210 56.153 54.840 0.170 0.000 0.749 1512 L CB -0.516 41.607 42.059 0.108 0.000 0.901 1512 L HN 0.351 nan 8.230 nan 0.000 0.433 1513 Q N -0.214 119.648 119.800 0.103 0.000 2.135 1513 Q HA -0.254 4.086 4.340 0.000 0.000 0.204 1513 Q C 2.216 178.220 176.000 0.006 0.000 0.981 1513 Q CA 1.229 57.062 55.803 0.050 0.000 0.856 1513 Q CB -0.206 28.556 28.738 0.039 0.000 0.902 1513 Q HN 0.259 nan 8.270 nan 0.000 0.425 1514 K N 0.496 120.895 120.400 -0.003 0.000 2.044 1514 K HA -0.185 4.135 4.320 0.000 0.000 0.210 1514 K C 1.676 178.011 176.600 -0.442 0.000 1.049 1514 K CA 1.702 57.844 56.287 -0.241 0.000 0.927 1514 K CB -0.107 32.241 32.500 -0.254 0.000 0.713 1514 K HN 0.319 nan 8.250 nan 0.000 0.443 1515 Y N -0.477 119.885 120.300 0.104 0.000 2.476 1515 Y HA 0.082 4.632 4.550 0.000 0.000 0.283 1515 Y C 0.858 176.784 175.900 0.043 0.000 1.109 1515 Y CA -0.122 58.023 58.100 0.074 0.000 1.246 1515 Y CB 0.243 38.759 38.460 0.093 0.000 1.068 1515 Y HN -0.129 nan 8.280 nan 0.000 0.552 1516 L N 1.046 122.342 121.223 0.122 0.000 2.583 1516 L HA 0.093 4.433 4.340 0.000 0.000 0.239 1516 L C 1.071 177.949 176.870 0.014 0.000 1.347 1516 L CA -0.226 54.650 54.840 0.059 0.000 1.246 1516 L CB -0.849 41.232 42.059 0.037 0.000 1.496 1516 L HN 0.430 nan 8.230 nan 0.000 0.413 1517 C N -2.491 116.814 119.300 0.007 0.000 2.576 1517 C HA 0.366 4.826 4.460 0.000 0.000 0.267 1517 C C 0.607 175.589 174.990 -0.014 0.000 1.364 1517 C CA -0.255 58.753 59.018 -0.018 0.000 1.723 1517 C CB -1.648 26.071 27.740 -0.035 0.000 1.778 1517 C HN 0.729 nan 8.230 nan 0.000 0.572 1518 D N -2.080 118.314 120.400 -0.010 0.000 2.622 1518 D HA 0.147 4.787 4.640 0.000 0.000 0.255 1518 D C 0.411 176.696 176.300 -0.025 0.000 1.246 1518 D CA -0.664 53.328 54.000 -0.014 0.000 0.795 1518 D CB 0.514 41.312 40.800 -0.004 0.000 1.369 1518 D HN 0.073 nan 8.370 nan 0.000 0.425 1519 E N -0.732 119.452 120.200 -0.027 0.000 2.097 1519 E HA -0.292 4.058 4.350 0.000 0.000 0.196 1519 E C 1.405 177.978 176.600 -0.046 0.000 1.000 1519 E CA 1.547 57.922 56.400 -0.041 0.000 0.804 1519 E CB 0.130 29.817 29.700 -0.022 0.000 0.740 1519 E HN 0.413 nan 8.360 nan 0.000 0.454 1520 Q N 0.409 120.198 119.800 -0.018 0.000 2.030 1520 Q HA -0.201 4.139 4.340 0.000 0.000 0.204 1520 Q C 2.142 178.131 176.000 -0.019 0.000 0.986 1520 Q CA 1.537 57.336 55.803 -0.006 0.000 0.843 1520 Q CB -0.298 28.450 28.738 0.016 0.000 0.904 1520 Q HN 0.297 nan 8.270 nan 0.000 0.420 1521 K N 0.716 121.110 120.400 -0.010 0.000 2.097 1521 K HA -0.127 4.193 4.320 0.000 0.000 0.205 1521 K C 2.104 178.678 176.600 -0.043 0.000 1.050 1521 K CA 1.010 57.296 56.287 -0.002 0.000 0.938 1521 K CB -0.014 32.503 32.500 0.028 0.000 0.718 1521 K HN 0.276 nan 8.250 nan 0.000 0.442 1522 E N 1.061 121.212 120.200 -0.080 0.000 2.077 1522 E HA -0.178 4.172 4.350 0.000 0.000 0.193 1522 E C 2.053 178.518 176.600 -0.226 0.000 0.989 1522 E CA 0.795 57.106 56.400 -0.149 0.000 0.800 1522 E CB -0.048 29.542 29.700 -0.183 0.000 0.746 1522 E HN 0.216 nan 8.360 nan 0.000 0.452 1523 L N 0.803 121.890 121.223 -0.227 0.000 2.017 1523 L HA -0.268 4.072 4.340 0.000 0.000 0.208 1523 L C 2.553 179.140 176.870 -0.470 0.000 1.073 1523 L CA 1.419 56.044 54.840 -0.359 0.000 0.745 1523 L CB -0.134 41.763 42.059 -0.271 0.000 0.894 1523 L HN 0.186 nan 8.230 nan 0.000 0.432 1524 Q N -0.290 119.389 119.800 -0.202 0.000 2.135 1524 Q HA -0.184 4.156 4.340 0.000 0.000 0.204 1524 Q C 2.087 178.083 176.000 -0.008 0.000 0.981 1524 Q CA 2.096 57.890 55.803 -0.014 0.000 0.856 1524 Q CB -0.344 28.432 28.738 0.065 0.000 0.902 1524 Q HN 0.582 nan 8.270 nan 0.000 0.425 1525 A N -0.250 122.531 122.820 -0.064 0.000 1.898 1525 A HA -0.135 4.185 4.320 0.000 0.000 0.216 1525 A C 2.063 179.608 177.584 -0.065 0.000 1.181 1525 A CA 1.246 53.258 52.037 -0.042 0.000 0.620 1525 A CB -0.706 18.262 19.000 -0.053 0.000 0.819 1525 A HN 0.415 nan 8.150 nan 0.000 0.442 1526 L N -1.751 119.363 121.223 -0.181 0.000 2.046 1526 L HA -0.224 4.116 4.340 0.000 0.000 0.208 1526 L C 2.611 179.512 176.870 0.051 0.000 1.077 1526 L CA 1.367 56.086 54.840 -0.203 0.000 0.747 1526 L CB -0.767 41.001 42.059 -0.485 0.000 0.896 1526 L HN 0.413 nan 8.230 nan 0.000 0.432 1527 Y N 0.142 120.527 120.300 0.141 0.000 2.128 1527 Y HA -0.239 4.311 4.550 0.000 0.000 0.284 1527 Y C 2.685 178.652 175.900 0.111 0.000 1.154 1527 Y CA 0.728 58.945 58.100 0.195 0.000 1.149 1527 Y CB -1.232 37.321 38.460 0.154 0.000 0.976 1527 Y HN 0.130 nan 8.280 nan 0.000 0.505 1528 A N -0.014 122.940 122.820 0.223 0.000 1.883 1528 A HA -0.195 4.125 4.320 0.000 0.000 0.217 1528 A C 2.305 179.922 177.584 0.056 0.000 1.186 1528 A CA 1.765 53.871 52.037 0.115 0.000 0.624 1528 A CB -1.225 17.817 19.000 0.071 0.000 0.822 1528 A HN 0.411 nan 8.150 nan 0.000 0.444 1529 L N -0.144 121.085 121.223 0.011 0.000 2.042 1529 L HA -0.227 4.113 4.340 0.000 0.000 0.210 1529 L C 2.472 179.307 176.870 -0.058 0.000 1.076 1529 L CA 2.767 57.548 54.840 -0.099 0.000 0.749 1529 L CB -0.780 41.196 42.059 -0.139 0.000 0.893 1529 L HN 0.618 nan 8.230 nan 0.000 0.432 1530 Q N -0.698 119.149 119.800 0.079 0.000 2.050 1530 Q HA -0.221 4.119 4.340 0.000 0.000 0.202 1530 Q C 2.170 178.233 176.000 0.105 0.000 0.980 1530 Q CA 1.937 57.828 55.803 0.147 0.000 0.840 1530 Q CB -0.278 28.691 28.738 0.384 0.000 0.898 1530 Q HN 0.672 nan 8.270 nan 0.000 0.424 1531 A N 1.047 123.934 122.820 0.111 0.000 1.978 1531 A HA -0.178 4.142 4.320 0.000 0.000 0.220 1531 A C 2.036 179.646 177.584 0.043 0.000 1.170 1531 A CA 1.075 53.158 52.037 0.076 0.000 0.636 1531 A CB -0.752 18.291 19.000 0.073 0.000 0.810 1531 A HN 0.552 nan 8.150 nan 0.000 0.448 1532 L N -0.233 121.000 121.223 0.017 0.000 1.976 1532 L HA -0.152 4.188 4.340 0.000 0.000 0.209 1532 L C 2.458 179.331 176.870 0.004 0.000 1.071 1532 L CA 1.814 56.656 54.840 0.004 0.000 0.746 1532 L CB -0.385 41.648 42.059 -0.044 0.000 0.890 1532 L HN 0.266 nan 8.230 nan 0.000 0.432 1533 V N -0.546 119.347 119.914 -0.035 0.000 2.469 1533 V HA -0.271 3.849 4.120 0.000 0.000 0.251 1533 V C 2.502 178.605 176.094 0.014 0.000 1.064 1533 V CA 1.408 63.695 62.300 -0.020 0.000 1.066 1533 V CB -0.257 31.536 31.823 -0.051 0.000 0.667 1533 V HN 0.294 nan 8.190 nan 0.000 0.461 1534 V N 0.943 120.875 119.914 0.029 0.000 2.295 1534 V HA -0.264 3.856 4.120 0.000 0.000 0.246 1534 V C 2.825 178.939 176.094 0.034 0.000 1.049 1534 V CA 2.604 64.927 62.300 0.038 0.000 1.024 1534 V CB -1.005 30.848 31.823 0.050 0.000 0.648 1534 V HN 0.852 nan 8.190 nan 0.000 0.447 1535 T N -1.697 112.879 114.554 0.037 0.000 2.977 1535 T HA -0.093 4.257 4.350 0.000 0.000 0.271 1535 T C 1.425 176.139 174.700 0.024 0.000 1.105 1535 T CA 1.124 63.245 62.100 0.035 0.000 1.116 1535 T CB -0.444 68.447 68.868 0.039 0.000 0.878 1535 T HN 0.423 nan 8.240 nan 0.000 0.509 1536 L N 0.616 121.860 121.223 0.036 0.000 2.627 1536 L HA 0.301 4.641 4.340 0.000 0.000 0.232 1536 L C 0.343 177.224 176.870 0.018 0.000 1.150 1536 L CA 0.064 54.927 54.840 0.038 0.000 0.917 1536 L CB -0.776 41.310 42.059 0.045 0.000 1.104 1536 L HN 0.350 nan 8.230 nan 0.000 0.445 1537 E N 0.417 120.626 120.200 0.015 0.000 2.287 1537 E HA -0.217 4.133 4.350 0.000 0.000 0.229 1537 E C -0.414 176.193 176.600 0.011 0.000 1.194 1537 E CA -0.091 56.318 56.400 0.013 0.000 0.704 1537 E CB -0.983 28.722 29.700 0.008 0.000 1.216 1537 E HN 0.402 nan 8.360 nan 0.000 0.381 1538 Q N -2.252 117.556 119.800 0.014 0.000 2.386 1538 Q HA -0.203 4.137 4.340 0.000 0.000 0.361 1538 Q C -1.820 174.180 176.000 0.001 0.000 1.325 1538 Q CA 1.095 56.904 55.803 0.011 0.000 1.097 1538 Q CB -1.053 27.694 28.738 0.016 0.000 1.303 1538 Q HN 0.452 nan 8.270 nan 0.000 0.377 1539 P HA 0.042 nan 4.420 nan 0.000 0.268 1539 P C -2.260 175.030 177.300 -0.017 0.000 1.208 1539 P CA -0.824 62.269 63.100 -0.012 0.000 0.777 1539 P CB -0.258 31.430 31.700 -0.021 0.000 0.875 1540 P HA -0.083 nan 4.420 nan 0.000 0.260 1540 P C 0.189 177.469 177.300 -0.033 0.000 1.185 1540 P CA 0.406 63.493 63.100 -0.022 0.000 0.763 1540 P CB -0.602 31.086 31.700 -0.021 0.000 0.776 1541 N N 1.047 119.726 118.700 -0.034 0.000 2.693 1541 N HA -0.250 4.490 4.740 0.000 0.000 0.250 1541 N C 0.325 175.795 175.510 -0.067 0.000 1.033 1541 N CA 0.972 53.991 53.050 -0.051 0.000 0.747 1541 N CB -2.069 36.392 38.487 -0.043 0.000 0.964 1541 N HN 0.327 nan 8.380 nan 0.000 0.540 1542 L N -1.139 120.052 121.223 -0.053 0.000 2.131 1542 L HA 0.263 4.603 4.340 0.000 0.000 0.206 1542 L C 2.013 178.890 176.870 0.012 0.000 1.087 1542 L CA 1.181 56.004 54.840 -0.030 0.000 0.767 1542 L CB -0.596 41.468 42.059 0.008 0.000 0.917 1542 L HN 0.474 nan 8.230 nan 0.000 0.441 1543 L N -0.087 121.085 121.223 -0.084 0.000 2.042 1543 L HA -0.194 4.146 4.340 0.000 0.000 0.210 1543 L C 2.722 179.268 176.870 -0.540 0.000 1.076 1543 L CA 1.773 56.433 54.840 -0.301 0.000 0.749 1543 L CB -0.772 41.013 42.059 -0.456 0.000 0.893 1543 L HN 0.323 nan 8.230 nan 0.000 0.432 1544 R N -0.592 119.684 120.500 -0.373 0.000 2.120 1544 R HA -0.148 4.192 4.340 0.000 0.000 0.234 1544 R C 2.089 178.337 176.300 -0.086 0.000 1.123 1544 R CA 1.907 57.861 56.100 -0.242 0.000 0.975 1544 R CB -0.310 29.924 30.300 -0.111 0.000 0.866 1544 R HN 0.450 nan 8.270 nan 0.000 0.446 1545 M N -0.570 118.974 119.600 -0.093 0.000 2.175 1545 M HA -0.116 4.364 4.480 0.000 0.000 0.264 1545 M C 1.842 178.086 176.300 -0.092 0.000 1.063 1545 M CA 1.528 56.762 55.300 -0.110 0.000 1.119 1545 M CB -0.254 32.231 32.600 -0.192 0.000 1.377 1545 M HN 0.034 nan 8.290 nan 0.000 0.415 1546 F N -0.380 119.533 119.950 -0.061 0.000 2.163 1546 F HA -0.156 4.371 4.527 0.000 0.000 0.297 1546 F C 2.049 177.980 175.800 0.218 0.000 1.094 1546 F CA 1.275 59.297 58.000 0.037 0.000 1.290 1546 F CB -0.460 38.543 39.000 0.006 0.000 1.017 1546 F HN -0.013 nan 8.300 nan 0.000 0.483 1547 F N 0.955 121.014 119.950 0.182 0.000 2.091 1547 F HA -0.256 4.271 4.527 0.000 0.000 0.299 1547 F C 2.383 178.229 175.800 0.077 0.000 1.103 1547 F CA 1.290 59.361 58.000 0.119 0.000 1.228 1547 F CB -1.383 37.559 39.000 -0.097 0.000 0.984 1547 F HN 0.037 nan 8.300 nan 0.000 0.477 1548 D N 0.052 120.582 120.400 0.217 0.000 2.092 1548 D HA -0.173 4.467 4.640 0.000 0.000 0.193 1548 D C 2.371 178.769 176.300 0.162 0.000 0.994 1548 D CA 1.682 55.766 54.000 0.139 0.000 0.828 1548 D CB -0.677 40.160 40.800 0.061 0.000 0.963 1548 D HN 0.226 nan 8.370 nan 0.000 0.450 1549 A N 0.936 123.826 122.820 0.118 0.000 1.902 1549 A HA -0.139 4.181 4.320 0.000 0.000 0.217 1549 A C 2.492 180.163 177.584 0.144 0.000 1.181 1549 A CA 1.015 53.103 52.037 0.085 0.000 0.623 1549 A CB -0.857 18.154 19.000 0.018 0.000 0.818 1549 A HN 0.192 nan 8.150 nan 0.000 0.443 1550 L N -2.171 119.198 121.223 0.243 0.000 2.046 1550 L HA -0.199 4.141 4.340 0.000 0.000 0.208 1550 L C 2.624 179.671 176.870 0.295 0.000 1.077 1550 L CA 1.787 56.785 54.840 0.264 0.000 0.747 1550 L CB -0.623 41.636 42.059 0.334 0.000 0.896 1550 L HN 0.595 nan 8.230 nan 0.000 0.432 1551 Y N 1.109 121.553 120.300 0.240 0.000 2.200 1551 Y HA -0.247 4.303 4.550 0.000 0.000 0.290 1551 Y C 2.290 178.255 175.900 0.108 0.000 1.137 1551 Y CA 1.468 59.699 58.100 0.217 0.000 1.163 1551 Y CB -0.326 38.178 38.460 0.073 0.000 0.988 1551 Y HN 0.208 nan 8.280 nan 0.000 0.518 1552 D N 0.086 120.481 120.400 -0.008 0.000 2.144 1552 D HA -0.147 4.493 4.640 0.000 0.000 0.199 1552 D C 1.581 177.820 176.300 -0.102 0.000 0.984 1552 D CA 1.399 55.328 54.000 -0.119 0.000 0.834 1552 D CB -0.105 40.684 40.800 -0.018 0.000 0.955 1552 D HN 0.470 nan 8.370 nan 0.000 0.465 1553 E N 0.477 120.662 120.200 -0.026 0.000 2.489 1553 E HA -0.047 4.303 4.350 0.000 0.000 0.193 1553 E C 0.138 176.725 176.600 -0.021 0.000 1.057 1553 E CA 0.035 56.427 56.400 -0.013 0.000 0.866 1553 E CB 0.193 29.909 29.700 0.026 0.000 0.916 1553 E HN 0.203 nan 8.360 nan 0.000 0.500 1554 D N -0.061 120.308 120.400 -0.051 0.000 2.981 1554 D HA -0.151 4.490 4.640 0.000 0.000 0.223 1554 D C 0.877 177.184 176.300 0.011 0.000 1.151 1554 D CA 0.461 54.438 54.000 -0.039 0.000 0.827 1554 D CB -0.912 39.860 40.800 -0.046 0.000 1.101 1554 D HN 0.084 nan 8.370 nan 0.000 0.426 1555 V N -0.688 119.251 119.914 0.042 0.000 2.446 1555 V HA -0.008 4.112 4.120 0.000 0.000 0.244 1555 V C 1.208 177.303 176.094 0.002 0.000 1.039 1555 V CA 0.958 63.280 62.300 0.037 0.000 1.045 1555 V CB 0.600 32.460 31.823 0.061 0.000 0.681 1555 V HN 0.125 nan 8.190 nan 0.000 0.459 1556 V N 1.206 121.128 119.914 0.013 0.000 2.444 1556 V HA 0.444 4.564 4.120 0.000 0.000 0.294 1556 V C -0.375 175.725 176.094 0.009 0.000 1.022 1556 V CA -1.016 61.187 62.300 -0.163 0.000 0.850 1556 V CB 1.756 33.267 31.823 -0.520 0.000 0.992 1556 V HN 0.244 nan 8.190 nan 0.000 0.426 1557 K N 2.324 122.710 120.400 -0.023 0.000 2.090 1557 K HA 0.406 4.726 4.320 0.000 0.000 0.250 1557 K C 1.243 177.969 176.600 0.210 0.000 1.004 1557 K CA -0.431 55.952 56.287 0.160 0.000 0.919 1557 K CB 0.642 33.192 32.500 0.083 0.000 1.045 1557 K HN 0.628 nan 8.250 nan 0.000 0.471 1558 E N 0.652 121.049 120.200 0.328 0.000 2.086 1558 E HA -0.263 4.087 4.350 0.000 0.000 0.200 1558 E C 0.861 177.589 176.600 0.212 0.000 1.012 1558 E CA 1.783 58.350 56.400 0.278 0.000 0.812 1558 E CB -0.010 29.796 29.700 0.177 0.000 0.743 1558 E HN 0.478 nan 8.360 nan 0.000 0.453 1559 D N 0.306 120.777 120.400 0.119 0.000 2.117 1559 D HA -0.131 4.509 4.640 0.000 0.000 0.197 1559 D C 1.857 178.223 176.300 0.110 0.000 0.987 1559 D CA 1.359 55.416 54.000 0.095 0.000 0.829 1559 D CB -0.330 40.483 40.800 0.021 0.000 0.961 1559 D HN 0.201 nan 8.370 nan 0.000 0.460 1560 A N -0.009 122.800 122.820 -0.018 0.000 1.933 1560 A HA -0.153 4.167 4.320 0.000 0.000 0.218 1560 A C 1.967 179.482 177.584 -0.115 0.000 1.175 1560 A CA 0.933 52.892 52.037 -0.130 0.000 0.628 1560 A CB -0.853 17.959 19.000 -0.313 0.000 0.814 1560 A HN 0.128 nan 8.150 nan 0.000 0.444 1561 F N -1.687 118.249 119.950 -0.023 0.000 2.146 1561 F HA -0.100 4.427 4.527 0.000 0.000 0.298 1561 F C 2.178 178.041 175.800 0.105 0.000 1.096 1561 F CA 1.178 59.141 58.000 -0.062 0.000 1.275 1561 F CB -1.039 37.851 39.000 -0.183 0.000 1.008 1561 F HN 0.442 nan 8.300 nan 0.000 0.480 1562 Y N 0.603 121.019 120.300 0.193 0.000 2.097 1562 Y HA -0.301 4.249 4.550 0.000 0.000 0.282 1562 Y C 2.614 178.588 175.900 0.123 0.000 1.152 1562 Y CA 2.082 60.261 58.100 0.132 0.000 1.136 1562 Y CB -0.804 37.703 38.460 0.079 0.000 0.975 1562 Y HN -0.069 nan 8.280 nan 0.000 0.498 1563 S N -0.336 115.550 115.700 0.309 0.000 2.383 1563 S HA -0.254 4.216 4.470 0.000 0.000 0.229 1563 S C 1.525 176.186 174.600 0.102 0.000 1.030 1563 S CA 1.315 59.627 58.200 0.187 0.000 1.002 1563 S CB -0.904 62.404 63.200 0.180 0.000 0.829 1563 S HN 0.779 nan 8.310 nan 0.000 0.467 1564 W N 2.860 124.136 121.300 -0.039 0.000 2.363 1564 W HA -0.105 4.556 4.660 0.000 0.000 0.296 1564 W C 1.806 178.349 176.519 0.039 0.000 1.212 1564 W CA 1.142 58.480 57.345 -0.012 0.000 1.260 1564 W CB -0.209 29.211 29.460 -0.067 0.000 1.131 1564 W HN 0.132 nan 8.180 nan 0.000 0.530 1565 E N 0.579 120.789 120.200 0.016 0.000 2.273 1565 E HA -0.134 4.216 4.350 0.000 0.000 0.198 1565 E C 1.228 177.637 176.600 -0.318 0.000 1.002 1565 E CA 1.176 57.457 56.400 -0.198 0.000 0.828 1565 E CB -0.678 28.945 29.700 -0.129 0.000 0.747 1565 E HN 0.174 nan 8.360 nan 0.000 0.491 1566 S N 0.000 115.546 115.700 -0.257 0.000 2.498 1566 S HA 0.000 4.470 4.470 0.000 0.000 0.327 1566 S CA 0.000 58.082 58.200 -0.196 0.000 1.107 1566 S CB 0.000 63.133 63.200 -0.111 0.000 0.593 1566 S HN 0.000 nan 8.310 nan 0.000 0.517