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_A 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 0.013 0.000 1.107 1234 S CB 0.000 63.210 63.200 0.017 0.000 0.593 1235 K N 1.033 121.440 120.400 0.012 0.000 2.026 1235 K HA 0.059 4.379 4.320 0.001 0.000 0.208 1235 K C 2.414 179.022 176.600 0.014 0.000 1.048 1235 K CA 1.907 58.201 56.287 0.011 0.000 0.929 1235 K CB -1.351 31.155 32.500 0.010 0.000 0.713 1235 K HN 0.816 nan 8.250 nan 0.000 0.439 1236 A N 1.609 124.441 122.820 0.020 0.000 1.940 1236 A HA -0.104 4.217 4.320 0.001 0.000 0.219 1236 A C 2.440 180.041 177.584 0.029 0.000 1.176 1236 A CA 2.147 54.201 52.037 0.028 0.000 0.631 1236 A CB -0.605 18.416 19.000 0.035 0.000 0.814 1236 A HN 0.325 nan 8.150 nan 0.000 0.446 1237 A N -0.530 122.305 122.820 0.026 0.000 1.858 1237 A HA 0.010 4.331 4.320 0.001 0.000 0.216 1237 A C 2.000 179.594 177.584 0.016 0.000 1.190 1237 A CA 1.685 53.737 52.037 0.025 0.000 0.617 1237 A CB -0.613 18.401 19.000 0.022 0.000 0.827 1237 A HN 0.396 nan 8.150 nan 0.000 0.443 1238 L N -0.084 121.145 121.223 0.010 0.000 2.083 1238 L HA -0.123 4.218 4.340 0.001 0.000 0.209 1238 L C 2.823 179.692 176.870 -0.002 0.000 1.083 1238 L CA 2.059 56.901 54.840 0.003 0.000 0.752 1238 L CB -0.886 41.175 42.059 0.002 0.000 0.899 1238 L HN 0.459 nan 8.230 nan 0.000 0.433 1239 S N -0.643 115.058 115.700 0.002 0.000 2.365 1239 S HA -0.233 4.237 4.470 0.001 0.000 0.225 1239 S C 1.934 176.525 174.600 -0.015 0.000 1.039 1239 S CA 1.618 59.816 58.200 -0.004 0.000 1.033 1239 S CB -0.152 63.051 63.200 0.005 0.000 0.887 1239 S HN 0.533 nan 8.310 nan 0.000 0.447 1240 E N 0.445 120.642 120.200 -0.006 0.000 2.106 1240 E HA -0.140 4.211 4.350 0.001 0.000 0.192 1240 E C 2.162 178.742 176.600 -0.034 0.000 0.984 1240 E CA 1.151 57.536 56.400 -0.025 0.000 0.806 1240 E CB -0.234 29.474 29.700 0.013 0.000 0.750 1240 E HN 0.707 nan 8.360 nan 0.000 0.458 1241 E N 0.867 121.057 120.200 -0.017 0.000 2.031 1241 E HA -0.211 4.140 4.350 0.001 0.000 0.193 1241 E C 2.082 178.662 176.600 -0.034 0.000 0.994 1241 E CA 1.039 57.427 56.400 -0.020 0.000 0.800 1241 E CB -0.009 29.685 29.700 -0.008 0.000 0.752 1241 E HN 0.044 nan 8.360 nan 0.000 0.447 1242 E N 1.217 121.400 120.200 -0.029 0.000 2.085 1242 E HA -0.174 4.176 4.350 0.001 0.000 0.194 1242 E C 1.955 178.528 176.600 -0.045 0.000 0.994 1242 E CA 0.777 57.157 56.400 -0.033 0.000 0.801 1242 E CB -0.261 29.425 29.700 -0.024 0.000 0.743 1242 E HN 0.196 nan 8.360 nan 0.000 0.453 1243 L N 0.347 121.540 121.223 -0.051 0.000 2.046 1243 L HA -0.189 4.152 4.340 0.001 0.000 0.208 1243 L C 2.441 179.267 176.870 -0.073 0.000 1.077 1243 L CA 2.083 56.889 54.840 -0.058 0.000 0.747 1243 L CB -0.272 41.740 42.059 -0.079 0.000 0.896 1243 L HN 0.224 nan 8.230 nan 0.000 0.432 1244 E N 0.025 120.167 120.200 -0.098 0.000 2.077 1244 E HA -0.317 4.034 4.350 0.001 0.000 0.193 1244 E C 2.231 178.702 176.600 -0.216 0.000 0.989 1244 E CA 1.628 57.937 56.400 -0.152 0.000 0.800 1244 E CB -0.128 29.512 29.700 -0.100 0.000 0.746 1244 E HN 0.375 nan 8.360 nan 0.000 0.452 1245 K N 0.549 120.870 120.400 -0.131 0.000 2.032 1245 K HA -0.228 4.092 4.320 0.001 0.000 0.209 1245 K C 1.950 178.485 176.600 -0.110 0.000 1.048 1245 K CA 1.877 58.095 56.287 -0.116 0.000 0.927 1245 K CB -0.018 32.444 32.500 -0.062 0.000 0.712 1245 K HN 0.032 nan 8.250 nan 0.000 0.441 1246 K N 0.079 120.437 120.400 -0.070 0.000 2.148 1246 K HA -0.030 4.291 4.320 0.001 0.000 0.204 1246 K C 2.218 178.819 176.600 0.002 0.000 1.050 1246 K CA 1.304 57.575 56.287 -0.027 0.000 0.942 1246 K CB 0.026 32.520 32.500 -0.010 0.000 0.724 1246 K HN 0.067 nan 8.250 nan 0.000 0.446 1247 S N 1.465 117.150 115.700 -0.024 0.000 2.368 1247 S HA -0.162 4.309 4.470 0.001 0.000 0.225 1247 S C 1.892 176.364 174.600 -0.214 0.000 1.030 1247 S CA 1.237 59.443 58.200 0.009 0.000 0.999 1247 S CB -0.081 63.047 63.200 -0.121 0.000 0.844 1247 S HN 0.307 nan 8.310 nan 0.000 0.459 1248 K N 1.464 121.613 120.400 -0.418 0.000 2.002 1248 K HA -0.106 4.214 4.320 0.001 0.000 0.209 1248 K C 2.290 178.851 176.600 -0.065 0.000 1.048 1248 K CA 1.283 57.361 56.287 -0.348 0.000 0.930 1248 K CB -0.419 31.869 32.500 -0.354 0.000 0.714 1248 K HN 0.279 nan 8.250 nan 0.000 0.438 1249 A N 1.629 124.423 122.820 -0.042 0.000 1.865 1249 A HA -0.184 4.136 4.320 0.001 0.000 0.217 1249 A C 2.161 179.786 177.584 0.068 0.000 1.191 1249 A CA 1.869 53.916 52.037 0.018 0.000 0.623 1249 A CB -0.753 18.255 19.000 0.012 0.000 0.826 1249 A HN 0.386 nan 8.150 nan 0.000 0.444 1250 I N -0.389 120.237 120.570 0.094 0.000 2.127 1250 I HA -0.296 3.874 4.170 0.001 0.000 0.241 1250 I C 2.387 178.627 176.117 0.205 0.000 1.075 1250 I CA 1.643 63.042 61.300 0.164 0.000 1.334 1250 I CB -0.401 37.751 38.000 0.253 0.000 1.040 1250 I HN 0.327 nan 8.210 nan 0.000 0.405 1251 I N 0.269 120.934 120.570 0.158 0.000 2.226 1251 I HA -0.259 3.911 4.170 0.001 0.000 0.245 1251 I C 2.608 178.850 176.117 0.208 0.000 1.100 1251 I CA 1.197 62.595 61.300 0.163 0.000 1.374 1251 I CB -0.424 37.587 38.000 0.017 0.000 1.057 1251 I HN 0.242 nan 8.210 nan 0.000 0.413 1252 E N 0.990 121.277 120.200 0.145 0.000 2.051 1252 E HA -0.231 4.119 4.350 0.001 0.000 0.192 1252 E C 2.040 178.735 176.600 0.158 0.000 0.991 1252 E CA 1.408 57.885 56.400 0.128 0.000 0.799 1252 E CB -0.308 29.443 29.700 0.086 0.000 0.748 1252 E HN 0.588 nan 8.360 nan 0.000 0.449 1253 E N -0.114 120.185 120.200 0.166 0.000 2.077 1253 E HA -0.204 4.146 4.350 0.001 0.000 0.193 1253 E C 2.055 178.750 176.600 0.159 0.000 0.989 1253 E CA 1.059 57.564 56.400 0.176 0.000 0.800 1253 E CB -0.369 29.414 29.700 0.139 0.000 0.746 1253 E HN 0.280 nan 8.360 nan 0.000 0.452 1254 Y N 1.699 122.046 120.300 0.077 0.000 2.145 1254 Y HA -0.177 4.373 4.550 0.001 0.000 0.286 1254 Y C 1.888 177.816 175.900 0.047 0.000 1.145 1254 Y CA 1.395 59.526 58.100 0.052 0.000 1.148 1254 Y CB -0.246 38.264 38.460 0.084 0.000 0.981 1254 Y HN -0.074 nan 8.280 nan 0.000 0.507 1255 L N -0.312 120.861 121.223 -0.083 0.000 2.275 1255 L HA -0.219 4.122 4.340 0.001 0.000 0.215 1255 L C 2.626 179.467 176.870 -0.048 0.000 1.119 1255 L CA 1.684 56.442 54.840 -0.137 0.000 0.790 1255 L CB -0.788 41.311 42.059 0.068 0.000 0.919 1255 L HN 0.496 nan 8.230 nan 0.000 0.443 1256 H N 0.415 119.435 119.070 -0.084 0.000 2.329 1256 H HA -0.030 4.526 4.556 0.001 0.000 0.306 1256 H C 2.189 177.469 175.328 -0.079 0.000 1.062 1256 H CA 1.068 57.083 56.048 -0.054 0.000 1.364 1256 H CB 0.352 30.104 29.762 -0.017 0.000 1.409 1256 H HN 0.240 nan 8.280 nan 0.000 0.519 1257 L N -0.114 120.885 121.223 -0.373 0.000 2.416 1257 L HA 0.020 4.361 4.340 0.001 0.000 0.216 1257 L C 0.817 177.525 176.870 -0.270 0.000 1.098 1257 L CA 0.208 54.805 54.840 -0.405 0.000 0.840 1257 L CB 0.014 41.880 42.059 -0.321 0.000 0.981 1257 L HN 0.397 nan 8.230 nan 0.000 0.462 1258 N N 0.517 119.011 118.700 -0.342 0.000 2.782 1258 N HA -0.198 4.542 4.740 0.001 0.000 0.251 1258 N C -0.087 175.326 175.510 -0.162 0.000 1.101 1258 N CA 0.789 53.577 53.050 -0.438 0.000 0.764 1258 N CB -0.905 37.343 38.487 -0.399 0.000 1.122 1258 N HN 0.325 nan 8.380 nan 0.000 0.561 1259 D N 1.089 121.471 120.400 -0.031 0.000 2.453 1259 D HA 0.124 4.765 4.640 0.001 0.000 0.223 1259 D C 1.380 177.783 176.300 0.172 0.000 1.183 1259 D CA -0.352 53.676 54.000 0.047 0.000 0.933 1259 D CB 0.391 41.204 40.800 0.022 0.000 1.038 1259 D HN 0.154 nan 8.370 nan 0.000 0.513 1260 M N 4.363 124.071 119.600 0.179 0.000 2.080 1260 M HA -0.169 4.311 4.480 0.001 0.000 0.260 1260 M C 1.580 177.924 176.300 0.073 0.000 1.068 1260 M CA 1.810 57.216 55.300 0.177 0.000 1.109 1260 M CB -0.005 32.676 32.600 0.134 0.000 1.342 1260 M HN 0.196 nan 8.290 nan 0.000 0.405 1261 K N -0.758 119.673 120.400 0.052 0.000 2.097 1261 K HA -0.209 4.112 4.320 0.001 0.000 0.206 1261 K C 2.045 178.656 176.600 0.019 0.000 1.049 1261 K CA 1.574 57.876 56.287 0.026 0.000 0.933 1261 K CB -0.309 32.203 32.500 0.019 0.000 0.717 1261 K HN 0.314 nan 8.250 nan 0.000 0.442 1262 E N 1.153 121.373 120.200 0.033 0.000 2.072 1262 E HA -0.105 4.246 4.350 0.001 0.000 0.191 1262 E C 1.791 178.404 176.600 0.022 0.000 0.985 1262 E CA 1.429 57.844 56.400 0.026 0.000 0.801 1262 E CB -0.179 29.543 29.700 0.036 0.000 0.750 1262 E HN 0.267 nan 8.360 nan 0.000 0.452 1263 A N 0.078 122.926 122.820 0.046 0.000 1.877 1263 A HA -0.141 4.179 4.320 0.001 0.000 0.216 1263 A C 2.528 180.071 177.584 -0.067 0.000 1.186 1263 A CA 1.701 53.745 52.037 0.012 0.000 0.620 1263 A CB -0.896 18.084 19.000 -0.033 0.000 0.822 1263 A HN 0.181 nan 8.150 nan 0.000 0.443 1264 V N 0.175 120.050 119.914 -0.065 0.000 2.287 1264 V HA -0.356 3.764 4.120 0.001 0.000 0.248 1264 V C 2.775 178.809 176.094 -0.101 0.000 1.053 1264 V CA 2.476 64.735 62.300 -0.069 0.000 1.027 1264 V CB -0.861 30.959 31.823 -0.006 0.000 0.646 1264 V HN 0.785 nan 8.190 nan 0.000 0.447 1265 Q N -1.017 118.741 119.800 -0.071 0.000 2.050 1265 Q HA -0.252 4.089 4.340 0.001 0.000 0.202 1265 Q C 2.380 178.299 176.000 -0.134 0.000 0.980 1265 Q CA 2.467 58.211 55.803 -0.097 0.000 0.840 1265 Q CB -0.315 28.393 28.738 -0.050 0.000 0.898 1265 Q HN 0.698 nan 8.270 nan 0.000 0.424 1266 C N -0.267 118.975 119.300 -0.098 0.000 2.413 1266 C HA -0.119 4.341 4.460 0.001 0.000 0.276 1266 C C 2.670 177.564 174.990 -0.161 0.000 1.248 1266 C CA 0.759 59.721 59.018 -0.093 0.000 1.742 1266 C CB -0.888 26.831 27.740 -0.035 0.000 2.017 1266 C HN 0.446 nan 8.230 nan 0.000 0.481 1267 V N 0.456 120.225 119.914 -0.241 0.000 2.358 1267 V HA -0.270 3.851 4.120 0.001 0.000 0.246 1267 V C 2.522 178.399 176.094 -0.362 0.000 1.047 1267 V CA 2.177 64.254 62.300 -0.372 0.000 1.035 1267 V CB -0.857 30.648 31.823 -0.530 0.000 0.658 1267 V HN 0.642 nan 8.190 nan 0.000 0.452 1268 Q N 0.196 119.734 119.800 -0.436 0.000 2.124 1268 Q HA -0.248 4.092 4.340 0.001 0.000 0.202 1268 Q C 2.047 177.865 176.000 -0.304 0.000 0.977 1268 Q CA 1.857 57.319 55.803 -0.569 0.000 0.850 1268 Q CB -0.114 28.194 28.738 -0.717 0.000 0.901 1268 Q HN 0.719 nan 8.270 nan 0.000 0.429 1269 E N 0.219 120.291 120.200 -0.213 0.000 2.409 1269 E HA -0.111 4.240 4.350 0.001 0.000 0.198 1269 E C 1.909 178.439 176.600 -0.116 0.000 1.024 1269 E CA 0.350 56.669 56.400 -0.135 0.000 0.861 1269 E CB 0.054 29.695 29.700 -0.098 0.000 0.788 1269 E HN 0.452 nan 8.360 nan 0.000 0.521 1270 L N 0.311 121.450 121.223 -0.140 0.000 2.156 1270 L HA 0.021 4.362 4.340 0.001 0.000 0.208 1270 L C 1.267 178.080 176.870 -0.095 0.000 1.095 1270 L CA 0.316 55.090 54.840 -0.109 0.000 0.770 1270 L CB -0.412 41.571 42.059 -0.127 0.000 0.914 1270 L HN 0.046 nan 8.230 nan 0.000 0.439 1271 A N 0.427 123.177 122.820 -0.117 0.000 2.560 1271 A HA -0.197 4.124 4.320 0.001 0.000 0.299 1271 A C 0.598 178.147 177.584 -0.057 0.000 1.484 1271 A CA 0.873 52.860 52.037 -0.084 0.000 0.749 1271 A CB -1.824 17.138 19.000 -0.064 0.000 1.072 1271 A HN 0.366 nan 8.150 nan 0.000 0.426 1272 S N -0.623 115.039 115.700 -0.062 0.000 2.407 1272 S HA 0.412 4.882 4.470 0.001 0.000 0.166 1272 S C -1.651 172.935 174.600 -0.023 0.000 1.445 1272 S CA -0.174 58.004 58.200 -0.036 0.000 1.260 1272 S CB 0.996 64.169 63.200 -0.045 0.000 1.401 1272 S HN 0.401 nan 8.310 nan 0.000 0.379 1273 P HA -0.077 nan 4.420 nan 0.000 0.216 1273 P C 1.034 178.369 177.300 0.059 0.000 1.150 1273 P CA 1.196 64.306 63.100 0.017 0.000 0.843 1273 P CB 0.052 31.766 31.700 0.023 0.000 0.787 1274 S N -1.374 114.370 115.700 0.074 0.000 2.603 1274 S HA 0.144 4.614 4.470 0.001 0.000 0.220 1274 S C 1.241 175.981 174.600 0.233 0.000 0.967 1274 S CA 0.503 58.784 58.200 0.136 0.000 0.920 1274 S CB -0.470 62.795 63.200 0.108 0.000 0.773 1274 S HN 0.150 nan 8.310 nan 0.000 0.529 1275 L N 0.288 121.582 121.223 0.120 0.000 3.016 1275 L HA 0.341 4.681 4.340 0.001 0.000 0.267 1275 L C 1.021 177.770 176.870 -0.202 0.000 1.182 1275 L CA 0.107 54.925 54.840 -0.036 0.000 0.997 1275 L CB -0.002 42.005 42.059 -0.086 0.000 1.354 1275 L HN 0.227 nan 8.230 nan 0.000 0.569 1276 L N 0.229 121.450 121.223 -0.002 0.000 2.456 1276 L HA -0.160 4.180 4.340 0.001 0.000 0.224 1276 L C 2.524 179.445 176.870 0.086 0.000 1.148 1276 L CA 1.151 56.003 54.840 0.019 0.000 0.825 1276 L CB -0.543 41.530 42.059 0.024 0.000 0.937 1276 L HN 0.399 nan 8.230 nan 0.000 0.450 1277 F N -0.673 119.330 119.950 0.088 0.000 2.202 1277 F HA -0.170 4.358 4.527 0.001 0.000 0.301 1277 F C 2.087 177.944 175.800 0.094 0.000 1.082 1277 F CA 0.964 59.008 58.000 0.073 0.000 1.313 1277 F CB -0.910 38.117 39.000 0.044 0.000 1.024 1277 F HN -0.088 nan 8.300 nan 0.000 0.495 1278 I N -0.434 119.760 120.570 -0.626 0.000 2.179 1278 I HA -0.228 3.942 4.170 0.001 0.000 0.242 1278 I C 2.485 178.573 176.117 -0.049 0.000 1.088 1278 I CA 1.544 62.613 61.300 -0.384 0.000 1.357 1278 I CB -0.615 37.086 38.000 -0.499 0.000 1.051 1278 I HN 0.208 nan 8.210 nan 0.000 0.409 1279 F N 1.395 121.268 119.950 -0.129 0.000 2.069 1279 F HA -0.241 4.286 4.527 0.001 0.000 0.298 1279 F C 2.411 178.237 175.800 0.042 0.000 1.113 1279 F CA 1.798 59.780 58.000 -0.031 0.000 1.214 1279 F CB -0.381 38.594 39.000 -0.042 0.000 0.978 1279 F HN -0.241 nan 8.300 nan 0.000 0.474 1280 V N 1.147 121.207 119.914 0.244 0.000 2.255 1280 V HA -0.362 3.758 4.120 0.001 0.000 0.247 1280 V C 2.594 178.710 176.094 0.036 0.000 1.051 1280 V CA 2.426 64.818 62.300 0.153 0.000 1.018 1280 V CB -0.884 31.032 31.823 0.155 0.000 0.641 1280 V HN 0.356 nan 8.190 nan 0.000 0.445 1281 R N -0.643 119.893 120.500 0.060 0.000 2.096 1281 R HA -0.277 4.063 4.340 0.001 0.000 0.240 1281 R C 2.402 178.695 176.300 -0.010 0.000 1.139 1281 R CA 2.536 58.663 56.100 0.045 0.000 0.952 1281 R CB -0.511 29.851 30.300 0.104 0.000 0.854 1281 R HN 0.726 nan 8.270 nan 0.000 0.436 1282 H N -0.802 118.207 119.070 -0.102 0.000 2.321 1282 H HA -0.019 4.537 4.556 0.001 0.000 0.300 1282 H C 1.871 177.099 175.328 -0.167 0.000 1.087 1282 H CA 2.203 58.167 56.048 -0.139 0.000 1.319 1282 H CB -0.581 29.066 29.762 -0.192 0.000 1.379 1282 H HN 0.404 nan 8.280 nan 0.000 0.501 1283 G N -0.194 108.493 108.800 -0.189 0.000 2.440 1283 G HA2 -0.259 3.702 3.960 0.001 0.000 0.218 1283 G HA3 -0.259 3.702 3.960 0.001 0.000 0.218 1283 G C 1.815 176.641 174.900 -0.123 0.000 1.154 1283 G CA 1.304 46.293 45.100 -0.185 0.000 0.767 1283 G HN 0.380 nan 8.290 nan 0.000 0.552 1284 V N 0.404 120.265 119.914 -0.088 0.000 2.270 1284 V HA -0.156 3.965 4.120 0.001 0.000 0.245 1284 V C 2.601 178.641 176.094 -0.091 0.000 1.043 1284 V CA 2.265 64.533 62.300 -0.053 0.000 1.014 1284 V CB -0.568 31.239 31.823 -0.027 0.000 0.645 1284 V HN 0.449 nan 8.190 nan 0.000 0.447 1285 E N 0.671 120.789 120.200 -0.137 0.000 2.038 1285 E HA -0.223 4.128 4.350 0.001 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 -0.158 0.000 0.803 1285 E CB -0.199 29.390 29.700 -0.186 0.000 0.750 1285 E HN 0.746 nan 8.360 nan 0.000 0.448 1286 S N -0.609 114.902 115.700 -0.314 0.000 2.474 1286 S HA -0.117 4.354 4.470 0.001 0.000 0.235 1286 S C 1.940 176.456 174.600 -0.140 0.000 0.997 1286 S CA 1.420 59.462 58.200 -0.263 0.000 0.949 1286 S CB -0.232 62.746 63.200 -0.370 0.000 0.766 1286 S HN 0.361 nan 8.310 nan 0.000 0.517 1287 T N -1.603 112.883 114.554 -0.113 0.000 2.985 1287 T HA 0.305 4.656 4.350 0.001 0.000 0.254 1287 T C 1.419 176.061 174.700 -0.097 0.000 1.021 1287 T CA 0.101 62.154 62.100 -0.077 0.000 0.957 1287 T CB -0.359 68.491 68.868 -0.030 0.000 1.047 1287 T HN 0.166 nan 8.240 nan 0.000 0.511 1288 L N 2.129 123.301 121.223 -0.085 0.000 2.064 1288 L HA -0.055 4.285 4.340 0.001 0.000 0.216 1288 L C 1.589 178.357 176.870 -0.171 0.000 1.077 1288 L CA 1.957 56.756 54.840 -0.069 0.000 0.766 1288 L CB -0.468 41.574 42.059 -0.028 0.000 0.890 1288 L HN 0.396 nan 8.230 nan 0.000 0.435 1289 E N -2.116 117.986 120.200 -0.162 0.000 2.651 1289 E HA 0.058 4.408 4.350 0.001 0.000 0.208 1289 E C 1.440 177.926 176.600 -0.190 0.000 0.997 1289 E CA -0.201 56.072 56.400 -0.211 0.000 1.020 1289 E CB 0.548 30.189 29.700 -0.098 0.000 1.052 1289 E HN 0.357 nan 8.360 nan 0.000 0.465 1290 R N 1.234 121.629 120.500 -0.176 0.000 2.046 1290 R HA 0.029 4.370 4.340 0.001 0.000 0.223 1290 R C 0.444 176.658 176.300 -0.142 0.000 1.179 1290 R CA 1.568 57.592 56.100 -0.127 0.000 0.952 1290 R CB 0.373 30.618 30.300 -0.091 0.000 0.843 1290 R HN 0.132 nan 8.270 nan 0.000 0.439 1291 S N -3.318 112.284 115.700 -0.163 0.000 2.611 1291 S HA 0.459 4.929 4.470 0.001 0.000 0.270 1291 S C 0.193 174.702 174.600 -0.152 0.000 1.131 1291 S CA -0.531 57.579 58.200 -0.151 0.000 0.826 1291 S CB 0.905 64.044 63.200 -0.102 0.000 1.095 1291 S HN 0.224 nan 8.310 nan 0.000 0.461 1292 A N 0.869 123.618 122.820 -0.120 0.000 1.877 1292 A HA 0.032 4.353 4.320 0.001 0.000 0.216 1292 A C 1.969 179.492 177.584 -0.103 0.000 1.186 1292 A CA 1.807 53.797 52.037 -0.078 0.000 0.620 1292 A CB -0.988 17.994 19.000 -0.030 0.000 0.822 1292 A HN 1.155 nan 8.150 nan 0.000 0.443 1293 I N -0.106 120.375 120.570 -0.148 0.000 2.286 1293 I HA -0.168 4.002 4.170 0.001 0.000 0.248 1293 I C 2.530 178.423 176.117 -0.373 0.000 1.115 1293 I CA 1.315 62.441 61.300 -0.290 0.000 1.392 1293 I CB -0.471 37.354 38.000 -0.291 0.000 1.065 1293 I HN 0.285 nan 8.210 nan 0.000 0.418 1294 A N 0.435 123.144 122.820 -0.185 0.000 1.898 1294 A HA -0.193 4.128 4.320 0.001 0.000 0.216 1294 A C 2.444 180.028 177.584 0.000 0.000 1.181 1294 A CA 1.638 53.634 52.037 -0.068 0.000 0.620 1294 A CB -0.609 18.368 19.000 -0.038 0.000 0.819 1294 A HN 0.451 nan 8.150 nan 0.000 0.442 1295 R N -0.610 119.873 120.500 -0.029 0.000 2.081 1295 R HA -0.157 4.184 4.340 0.001 0.000 0.235 1295 R C 2.247 178.589 176.300 0.069 0.000 1.131 1295 R CA 1.524 57.639 56.100 0.025 0.000 0.960 1295 R CB -0.268 30.039 30.300 0.012 0.000 0.856 1295 R HN 0.682 nan 8.270 nan 0.000 0.436 1296 E N 0.657 120.868 120.200 0.018 0.000 2.017 1296 E HA -0.205 4.145 4.350 0.001 0.000 0.193 1296 E C 1.627 178.337 176.600 0.184 0.000 0.997 1296 E CA 1.800 58.233 56.400 0.055 0.000 0.804 1296 E CB -0.279 29.400 29.700 -0.036 0.000 0.757 1296 E HN 0.512 nan 8.360 nan 0.000 0.448 1297 H N -1.268 117.880 119.070 0.130 0.000 2.352 1297 H HA -0.150 4.407 4.556 0.001 0.000 0.299 1297 H C 2.013 177.568 175.328 0.378 0.000 1.097 1297 H CA 1.274 57.460 56.048 0.230 0.000 1.311 1297 H CB -0.108 29.714 29.762 0.099 0.000 1.377 1297 H HN 0.227 nan 8.280 nan 0.000 0.504 1298 M N 0.656 120.501 119.600 0.408 0.000 2.117 1298 M HA -0.047 4.433 4.480 0.001 0.000 0.262 1298 M C 2.426 178.862 176.300 0.227 0.000 1.065 1298 M CA 1.657 57.136 55.300 0.299 0.000 1.114 1298 M CB -0.594 32.118 32.600 0.187 0.000 1.361 1298 M HN 0.231 nan 8.290 nan 0.000 0.408 1299 G N -0.584 108.342 108.800 0.211 0.000 2.418 1299 G HA2 -0.215 3.745 3.960 0.001 0.000 0.217 1299 G HA3 -0.215 3.745 3.960 0.001 0.000 0.217 1299 G C 1.427 176.443 174.900 0.194 0.000 1.158 1299 G CA 0.609 45.828 45.100 0.199 0.000 0.771 1299 G HN 0.480 nan 8.290 nan 0.000 0.545 1300 Q N -0.244 119.678 119.800 0.203 0.000 2.084 1300 Q HA -0.068 4.273 4.340 0.001 0.000 0.202 1300 Q C 2.593 178.698 176.000 0.176 0.000 0.978 1300 Q CA 0.941 56.860 55.803 0.193 0.000 0.844 1300 Q CB -0.653 28.217 28.738 0.220 0.000 0.898 1300 Q HN 0.485 nan 8.270 nan 0.000 0.426 1301 L N 0.521 121.816 121.223 0.120 0.000 2.017 1301 L HA -0.143 4.197 4.340 0.001 0.000 0.208 1301 L C 2.140 179.030 176.870 0.034 0.000 1.073 1301 L CA 1.487 56.299 54.840 -0.047 0.000 0.745 1301 L CB -0.659 41.195 42.059 -0.341 0.000 0.894 1301 L HN 0.137 nan 8.230 nan 0.000 0.432 1302 L N -0.971 120.324 121.223 0.121 0.000 2.046 1302 L HA -0.263 4.077 4.340 0.001 0.000 0.208 1302 L C 2.739 179.626 176.870 0.029 0.000 1.077 1302 L CA 1.692 56.614 54.840 0.137 0.000 0.747 1302 L CB -1.202 41.020 42.059 0.272 0.000 0.896 1302 L HN 0.521 nan 8.230 nan 0.000 0.432 1303 H N 0.191 119.239 119.070 -0.036 0.000 2.352 1303 H HA -0.173 4.384 4.556 0.001 0.000 0.299 1303 H C 2.202 177.483 175.328 -0.078 0.000 1.097 1303 H CA 1.609 57.605 56.048 -0.087 0.000 1.311 1303 H CB 0.283 30.022 29.762 -0.038 0.000 1.377 1303 H HN 0.348 nan 8.280 nan 0.000 0.504 1304 Q N 0.769 120.528 119.800 -0.068 0.000 2.020 1304 Q HA -0.116 4.224 4.340 0.001 0.000 0.202 1304 Q C 2.938 178.841 176.000 -0.162 0.000 0.982 1304 Q CA 1.051 56.780 55.803 -0.124 0.000 0.838 1304 Q CB -0.458 28.268 28.738 -0.021 0.000 0.899 1304 Q HN 0.523 nan 8.270 nan 0.000 0.423 1305 L N 0.260 121.418 121.223 -0.109 0.000 2.042 1305 L HA -0.228 4.112 4.340 0.001 0.000 0.210 1305 L C 2.451 179.230 176.870 -0.151 0.000 1.076 1305 L CA 0.760 55.544 54.840 -0.093 0.000 0.749 1305 L CB -0.600 41.415 42.059 -0.074 0.000 0.893 1305 L HN 0.209 nan 8.230 nan 0.000 0.432 1306 L N -0.490 120.614 121.223 -0.199 0.000 1.994 1306 L HA -0.216 4.124 4.340 0.001 0.000 0.208 1306 L C 2.574 179.280 176.870 -0.273 0.000 1.071 1306 L CA 1.828 56.522 54.840 -0.244 0.000 0.745 1306 L CB -0.702 41.164 42.059 -0.321 0.000 0.892 1306 L HN 0.222 nan 8.230 nan 0.000 0.431 1307 C N -0.052 119.036 119.300 -0.355 0.000 2.413 1307 C HA -0.122 4.338 4.460 0.001 0.000 0.277 1307 C C 2.898 177.728 174.990 -0.265 0.000 1.265 1307 C CA 0.779 59.600 59.018 -0.328 0.000 1.752 1307 C CB -1.683 25.811 27.740 -0.410 0.000 1.998 1307 C HN 0.713 nan 8.230 nan 0.000 0.489 1308 A N -0.789 121.856 122.820 -0.291 0.000 2.206 1308 A HA 0.374 4.695 4.320 0.001 0.000 0.211 1308 A C 1.872 179.131 177.584 -0.543 0.000 1.158 1308 A CA 1.435 53.239 52.037 -0.387 0.000 0.761 1308 A CB -0.753 18.008 19.000 -0.398 0.000 0.801 1308 A HN 1.295 nan 8.150 nan 0.000 0.473 1309 G N -1.800 106.772 108.800 -0.380 0.000 2.143 1309 G HA2 -0.291 3.670 3.960 0.001 0.000 0.249 1309 G HA3 -0.291 3.670 3.960 0.001 0.000 0.249 1309 G C 0.677 175.431 174.900 -0.245 0.000 0.981 1309 G CA 0.657 45.584 45.100 -0.287 0.000 0.665 1309 G HN 0.622 nan 8.290 nan 0.000 0.528 1310 H N -1.315 117.693 119.070 -0.104 0.000 2.465 1310 H HA 0.264 4.820 4.556 0.001 0.000 0.289 1310 H C 1.277 176.545 175.328 -0.100 0.000 1.022 1310 H CA 1.072 57.056 56.048 -0.106 0.000 1.340 1310 H CB 0.262 29.943 29.762 -0.135 0.000 1.437 1310 H HN 0.488 nan 8.280 nan 0.000 0.539 1311 L N 2.203 123.423 121.223 -0.005 0.000 2.287 1311 L HA 0.297 4.637 4.340 0.001 0.000 0.287 1311 L C 0.291 177.137 176.870 -0.041 0.000 1.022 1311 L CA -0.733 54.099 54.840 -0.013 0.000 0.814 1311 L CB 1.181 43.233 42.059 -0.011 0.000 1.217 1311 L HN 0.038 nan 8.230 nan 0.000 0.420 1312 S N 2.206 117.900 115.700 -0.010 0.000 2.601 1312 S HA 0.255 4.726 4.470 0.001 0.000 0.271 1312 S C 1.067 175.636 174.600 -0.051 0.000 1.305 1312 S CA 0.102 58.286 58.200 -0.027 0.000 1.022 1312 S CB 1.003 64.208 63.200 0.008 0.000 0.940 1312 S HN 0.751 nan 8.310 nan 0.000 0.525 1313 T N 2.643 117.141 114.554 -0.094 0.000 2.665 1313 T HA -0.167 4.183 4.350 0.001 0.000 0.268 1313 T C 2.194 176.791 174.700 -0.172 0.000 1.035 1313 T CA 1.968 63.946 62.100 -0.204 0.000 1.151 1313 T CB -1.046 67.762 68.868 -0.101 0.000 0.862 1313 T HN 0.878 nan 8.240 nan 0.000 0.438 1314 A N 1.424 124.260 122.820 0.026 0.000 1.883 1314 A HA -0.194 4.126 4.320 0.001 0.000 0.217 1314 A C 2.385 180.009 177.584 0.067 0.000 1.186 1314 A CA 1.469 53.576 52.037 0.117 0.000 0.624 1314 A CB -0.623 18.439 19.000 0.104 0.000 0.822 1314 A HN 0.387 nan 8.150 nan 0.000 0.444 1315 Q N -1.870 117.969 119.800 0.066 0.000 2.124 1315 Q HA -0.185 4.156 4.340 0.001 0.000 0.202 1315 Q C 1.942 178.008 176.000 0.110 0.000 0.977 1315 Q CA 1.752 57.626 55.803 0.118 0.000 0.850 1315 Q CB -0.491 28.337 28.738 0.150 0.000 0.901 1315 Q HN 0.871 nan 8.270 nan 0.000 0.429 1316 Y N 0.503 120.739 120.300 -0.107 0.000 2.097 1316 Y HA -0.312 4.239 4.550 0.001 0.000 0.282 1316 Y C 1.908 177.701 175.900 -0.178 0.000 1.152 1316 Y CA 1.643 59.650 58.100 -0.156 0.000 1.136 1316 Y CB -0.543 37.731 38.460 -0.309 0.000 0.975 1316 Y HN 0.029 nan 8.280 nan 0.000 0.498 1317 Y N 0.731 120.925 120.300 -0.177 0.000 2.181 1317 Y HA -0.282 4.268 4.550 0.001 0.000 0.288 1317 Y C 2.863 178.196 175.900 -0.945 0.000 1.146 1317 Y CA 1.687 59.371 58.100 -0.693 0.000 1.164 1317 Y CB -1.308 36.773 38.460 -0.632 0.000 0.982 1317 Y HN 0.302 nan 8.280 nan 0.000 0.515 1318 Q N -0.210 119.408 119.800 -0.302 0.000 2.061 1318 Q HA -0.168 4.173 4.340 0.001 0.000 0.204 1318 Q C 2.524 178.503 176.000 -0.036 0.000 0.984 1318 Q CA 1.848 57.554 55.803 -0.163 0.000 0.846 1318 Q CB -0.588 28.079 28.738 -0.117 0.000 0.902 1318 Q HN 0.536 nan 8.270 nan 0.000 0.421 1319 G N 0.707 109.529 108.800 0.036 0.000 2.418 1319 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 1319 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 1319 G C 1.377 176.286 174.900 0.014 0.000 1.158 1319 G CA 0.680 45.848 45.100 0.114 0.000 0.771 1319 G HN 0.313 nan 8.290 nan 0.000 0.545 1320 L N -0.707 120.437 121.223 -0.132 0.000 2.027 1320 L HA -0.074 4.266 4.340 0.001 0.000 0.206 1320 L C 2.752 179.700 176.870 0.130 0.000 1.074 1320 L CA 0.842 55.637 54.840 -0.076 0.000 0.745 1320 L CB -0.423 41.512 42.059 -0.207 0.000 0.898 1320 L HN 0.154 nan 8.230 nan 0.000 0.433 1321 Y N 0.264 120.587 120.300 0.037 0.000 2.151 1321 Y HA -0.328 4.222 4.550 0.001 0.000 0.284 1321 Y C 2.576 178.499 175.900 0.037 0.000 1.166 1321 Y CA 1.267 59.393 58.100 0.043 0.000 1.163 1321 Y CB -0.937 37.547 38.460 0.039 0.000 0.974 1321 Y HN 0.303 nan 8.280 nan 0.000 0.511 1322 E N -0.251 120.074 120.200 0.208 0.000 2.160 1322 E HA -0.197 4.154 4.350 0.001 0.000 0.195 1322 E C 1.841 178.499 176.600 0.096 0.000 0.991 1322 E CA 1.539 58.021 56.400 0.137 0.000 0.810 1322 E CB -0.260 29.524 29.700 0.141 0.000 0.742 1322 E HN 0.465 nan 8.360 nan 0.000 0.466 1323 I N -0.486 120.137 120.570 0.087 0.000 2.927 1323 I HA -0.105 4.065 4.170 0.001 0.000 0.268 1323 I C 1.807 177.948 176.117 0.041 0.000 1.153 1323 I CA 0.167 61.494 61.300 0.044 0.000 1.459 1323 I CB 0.132 38.143 38.000 0.018 0.000 1.149 1323 I HN 0.044 nan 8.210 nan 0.000 0.443 1324 L N 0.756 122.037 121.223 0.097 0.000 2.131 1324 L HA -0.215 4.125 4.340 0.001 0.000 0.210 1324 L C 2.519 179.453 176.870 0.107 0.000 1.092 1324 L CA 1.422 56.336 54.840 0.123 0.000 0.759 1324 L CB -0.518 41.667 42.059 0.209 0.000 0.903 1324 L HN 0.350 nan 8.230 nan 0.000 0.435 1325 E N 0.805 121.057 120.200 0.087 0.000 2.153 1325 E HA -0.210 4.141 4.350 0.001 0.000 0.194 1325 E C 1.932 178.560 176.600 0.046 0.000 0.988 1325 E CA 1.072 57.509 56.400 0.061 0.000 0.811 1325 E CB 0.053 29.785 29.700 0.053 0.000 0.746 1325 E HN 0.525 nan 8.360 nan 0.000 0.466 1326 L N -0.185 121.052 121.223 0.023 0.000 2.607 1326 L HA 0.277 4.617 4.340 0.001 0.000 0.228 1326 L C 2.164 179.003 176.870 -0.052 0.000 1.123 1326 L CA 0.202 55.040 54.840 -0.004 0.000 0.890 1326 L CB 0.210 42.264 42.059 -0.008 0.000 1.103 1326 L HN 0.114 nan 8.230 nan 0.000 0.468 1327 A N 0.877 123.641 122.820 -0.093 0.000 1.859 1327 A HA -0.298 4.022 4.320 0.001 0.000 0.217 1327 A C 2.247 179.675 177.584 -0.260 0.000 1.198 1327 A CA 2.228 54.076 52.037 -0.315 0.000 0.629 1327 A CB -0.551 18.101 19.000 -0.580 0.000 0.830 1327 A HN 0.492 nan 8.150 nan 0.000 0.446 1328 E N -0.309 119.904 120.200 0.022 0.000 2.114 1328 E HA -0.284 4.067 4.350 0.001 0.000 0.199 1328 E C 1.331 177.960 176.600 0.048 0.000 1.008 1328 E CA 1.719 58.218 56.400 0.166 0.000 0.810 1328 E CB -0.209 29.620 29.700 0.214 0.000 0.739 1328 E HN 0.640 nan 8.360 nan 0.000 0.456 1329 D N -0.198 120.206 120.400 0.007 0.000 2.149 1329 D HA -0.138 4.502 4.640 0.001 0.000 0.201 1329 D C 2.025 178.304 176.300 -0.036 0.000 0.972 1329 D CA 1.124 55.121 54.000 -0.005 0.000 0.835 1329 D CB -0.155 40.643 40.800 -0.003 0.000 0.966 1329 D HN 0.401 nan 8.370 nan 0.000 0.476 1330 M N 0.567 120.118 119.600 -0.082 0.000 2.296 1330 M HA -0.090 4.390 4.480 0.001 0.000 0.265 1330 M C 2.123 178.357 176.300 -0.110 0.000 1.064 1330 M CA 0.765 56.006 55.300 -0.098 0.000 1.109 1330 M CB -0.211 32.309 32.600 -0.134 0.000 1.396 1330 M HN -0.069 nan 8.290 nan 0.000 0.430 1331 E N 1.707 121.826 120.200 -0.134 0.000 2.187 1331 E HA -0.239 4.111 4.350 0.001 0.000 0.199 1331 E C 1.689 178.262 176.600 -0.045 0.000 1.004 1331 E CA 1.549 57.888 56.400 -0.101 0.000 0.813 1331 E CB -0.200 29.502 29.700 0.004 0.000 0.736 1331 E HN 0.562 nan 8.360 nan 0.000 0.468 1332 I N 1.074 121.629 120.570 -0.026 0.000 2.163 1332 I HA -0.273 3.897 4.170 0.001 0.000 0.243 1332 I C 1.720 177.820 176.117 -0.029 0.000 1.085 1332 I CA 1.455 62.745 61.300 -0.015 0.000 1.347 1332 I CB -0.234 37.761 38.000 -0.008 0.000 1.044 1332 I HN 0.110 nan 8.210 nan 0.000 0.408 1333 D N 0.255 120.633 120.400 -0.037 0.000 2.366 1333 D HA 0.234 4.875 4.640 0.001 0.000 0.205 1333 D C 0.715 176.987 176.300 -0.048 0.000 1.022 1333 D CA 0.724 54.702 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 0.301 nan 8.370 nan 0.000 0.514 1334 I N 1.428 121.959 120.570 -0.066 0.000 2.668 1334 I HA 0.155 4.325 4.170 0.001 0.000 0.276 1334 I C -1.956 174.073 176.117 -0.147 0.000 1.139 1334 I CA -1.847 59.409 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 0.722 177.972 177.300 -0.083 0.000 1.154 1335 P CA 1.841 64.843 63.100 -0.163 0.000 0.865 1335 P CB -0.000 31.525 31.700 -0.290 0.000 0.789 1336 H N -2.140 116.752 119.070 -0.297 0.000 2.507 1336 H HA 0.174 4.730 4.556 0.001 0.000 0.294 1336 H C 1.647 176.455 175.328 -0.867 0.000 1.064 1336 H CA -0.651 55.092 56.048 -0.508 0.000 1.138 1336 H CB -0.075 29.340 29.762 -0.578 0.000 1.515 1336 H HN -0.098 nan 8.280 nan 0.000 0.547 1337 V N 0.340 119.940 119.914 -0.524 0.000 2.317 1337 V HA -0.317 3.804 4.120 0.001 0.000 0.251 1337 V C 1.500 177.352 176.094 -0.404 0.000 1.065 1337 V CA 1.950 63.962 62.300 -0.479 0.000 1.049 1337 V CB -0.281 31.248 31.823 -0.489 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 -0.106 0.000 2.358 1338 W HA -0.144 4.516 4.660 0.001 0.000 0.303 1338 W C 2.262 178.757 176.519 -0.041 0.000 1.208 1338 W CA 1.151 58.469 57.345 -0.044 0.000 1.274 1338 W CB -0.621 28.819 29.460 -0.032 0.000 1.138 1338 W HN 0.287 nan 8.180 nan 0.000 0.515 1339 L N -0.577 120.690 121.223 0.074 0.000 2.046 1339 L HA -0.239 4.102 4.340 0.001 0.000 0.208 1339 L C 2.127 179.101 176.870 0.173 0.000 1.077 1339 L CA 1.866 56.742 54.840 0.061 0.000 0.747 1339 L CB -1.307 40.720 42.059 -0.054 0.000 0.896 1339 L HN 0.011 nan 8.230 nan 0.000 0.432 1340 Y N -0.391 119.961 120.300 0.086 0.000 2.224 1340 Y HA -0.159 4.391 4.550 0.001 0.000 0.289 1340 Y C 2.487 178.419 175.900 0.054 0.000 1.146 1340 Y CA 0.995 59.125 58.100 0.051 0.000 1.182 1340 Y CB -1.023 37.445 38.460 0.013 0.000 0.983 1340 Y HN 0.182 nan 8.280 nan 0.000 0.524 1341 L N -0.877 120.472 121.223 0.210 0.000 2.056 1341 L HA -0.158 4.183 4.340 0.001 0.000 0.207 1341 L C 2.670 179.652 176.870 0.186 0.000 1.078 1341 L CA 1.048 55.988 54.840 0.166 0.000 0.749 1341 L CB -0.817 41.331 42.059 0.148 0.000 0.901 1341 L HN 0.155 nan 8.230 nan 0.000 0.433 1342 A N 0.041 122.979 122.820 0.196 0.000 1.908 1342 A HA -0.236 4.085 4.320 0.001 0.000 0.218 1342 A C 2.123 179.806 177.584 0.164 0.000 1.181 1342 A CA 1.728 53.869 52.037 0.173 0.000 0.627 1342 A CB -0.476 18.617 19.000 0.155 0.000 0.818 1342 A HN 0.473 nan 8.150 nan 0.000 0.445 1343 E N -0.476 119.825 120.200 0.167 0.000 2.204 1343 E HA -0.134 4.216 4.350 0.001 0.000 0.195 1343 E C 1.813 178.495 176.600 0.136 0.000 0.990 1343 E CA 0.979 57.464 56.400 0.143 0.000 0.821 1343 E CB -0.229 29.557 29.700 0.143 0.000 0.750 1343 E HN 0.643 nan 8.360 nan 0.000 0.477 1344 L N -0.031 121.282 121.223 0.149 0.000 2.162 1344 L HA -0.090 4.250 4.340 0.001 0.000 0.205 1344 L C 2.269 179.255 176.870 0.193 0.000 1.086 1344 L CA 0.409 55.340 54.840 0.151 0.000 0.778 1344 L CB 0.083 42.220 42.059 0.129 0.000 0.928 1344 L HN 0.006 nan 8.230 nan 0.000 0.446 1345 V N -1.124 118.915 119.914 0.209 0.000 2.446 1345 V HA -0.193 3.927 4.120 0.001 0.000 0.244 1345 V C 2.476 178.714 176.094 0.239 0.000 1.039 1345 V CA 1.908 64.371 62.300 0.271 0.000 1.045 1345 V CB -0.440 31.544 31.823 0.270 0.000 0.681 1345 V HN 0.415 nan 8.190 nan 0.000 0.459 1346 T N 0.809 115.478 114.554 0.192 0.000 2.680 1346 T HA -0.196 4.154 4.350 0.001 0.000 0.268 1346 T C -0.128 174.635 174.700 0.105 0.000 1.033 1346 T CA 2.354 64.551 62.100 0.161 0.000 1.152 1346 T CB -1.383 67.567 68.868 0.137 0.000 0.859 1346 T HN 0.419 nan 8.240 nan 0.000 0.452 1347 P HA -0.003 nan 4.420 nan 0.000 0.221 1347 P C 1.362 178.626 177.300 -0.060 0.000 1.145 1347 P CA 0.548 63.647 63.100 -0.001 0.000 0.795 1347 P CB -0.142 31.588 31.700 0.050 0.000 0.775 1348 I N -1.168 119.440 120.570 0.062 0.000 2.756 1348 I HA -0.125 4.045 4.170 0.001 0.000 0.262 1348 I C 1.715 177.872 176.117 0.068 0.000 1.225 1348 I CA 1.256 62.596 61.300 0.067 0.000 1.472 1348 I CB -0.947 37.070 38.000 0.029 0.000 1.094 1348 I HN 0.023 nan 8.210 nan 0.000 0.454 1349 L N -0.293 120.957 121.223 0.045 0.000 2.552 1349 L HA -0.042 4.298 4.340 0.001 0.000 0.227 1349 L C 1.113 177.972 176.870 -0.019 0.000 1.146 1349 L CA 0.059 54.920 54.840 0.035 0.000 0.858 1349 L CB -0.279 41.816 42.059 0.061 0.000 0.969 1349 L HN 0.246 nan 8.230 nan 0.000 0.451 1350 Q N 0.492 120.213 119.800 -0.131 0.000 2.454 1350 Q HA 0.014 4.354 4.340 0.001 0.000 0.247 1350 Q C 0.261 176.283 176.000 0.036 0.000 1.028 1350 Q CA -0.296 55.400 55.803 -0.178 0.000 0.910 1350 Q CB 0.494 28.916 28.738 -0.526 0.000 1.276 1350 Q HN -0.021 nan 8.270 nan 0.000 0.489 1351 E N -0.019 120.209 120.200 0.046 0.000 2.653 1351 E HA -0.045 4.305 4.350 0.001 0.000 0.264 1351 E C 0.684 177.400 176.600 0.193 0.000 0.949 1351 E CA 1.756 58.209 56.400 0.088 0.000 0.953 1351 E CB -0.197 29.534 29.700 0.051 0.000 0.925 1351 E HN 0.698 nan 8.360 nan 0.000 0.475 1352 G N 2.190 111.043 108.800 0.088 0.000 2.199 1352 G HA2 -0.227 3.733 3.960 0.001 0.000 0.254 1352 G HA3 -0.227 3.733 3.960 0.001 0.000 0.254 1352 G C 0.614 175.494 174.900 -0.033 0.000 0.982 1352 G CA 0.362 45.465 45.100 0.005 0.000 0.632 1352 G HN 0.947 nan 8.290 nan 0.000 0.529 1353 G N -0.938 107.931 108.800 0.116 0.000 2.714 1353 G HA2 0.618 4.578 3.960 0.001 0.000 0.197 1353 G HA3 0.618 4.578 3.960 0.001 0.000 0.197 1353 G C 0.024 174.927 174.900 0.004 0.000 1.449 1353 G CA 0.185 45.332 45.100 0.079 0.000 1.065 1353 G HN 0.934 nan 8.290 nan 0.000 0.575 1354 V N 1.845 121.762 119.914 0.006 0.000 2.481 1354 V HA 0.305 4.425 4.120 0.001 0.000 0.286 1354 V C -1.983 174.131 176.094 0.033 0.000 1.042 1354 V CA -1.153 61.160 62.300 0.022 0.000 0.928 1354 V CB 1.481 33.340 31.823 0.060 0.000 0.986 1354 V HN 0.421 nan 8.190 nan 0.000 0.462 1355 P HA 0.099 nan 4.420 nan 0.000 0.268 1355 P C 0.904 178.171 177.300 -0.054 0.000 1.205 1355 P CA 0.018 63.105 63.100 -0.022 0.000 0.771 1355 P CB 0.485 32.171 31.700 -0.023 0.000 0.858 1356 M N 3.032 122.544 119.600 -0.147 0.000 2.088 1356 M HA -0.201 4.280 4.480 0.001 0.000 0.256 1356 M C 1.894 177.951 176.300 -0.404 0.000 1.071 1356 M CA 2.848 57.931 55.300 -0.360 0.000 1.097 1356 M CB -1.070 31.235 32.600 -0.493 0.000 1.315 1356 M HN 0.532 nan 8.290 nan 0.000 0.406 1357 G N 0.025 108.654 108.800 -0.285 0.000 2.491 1357 G HA2 -0.262 3.699 3.960 0.001 0.000 0.218 1357 G HA3 -0.262 3.699 3.960 0.001 0.000 0.218 1357 G C 1.211 176.082 174.900 -0.048 0.000 1.180 1357 G CA 1.259 46.235 45.100 -0.206 0.000 0.774 1357 G HN 0.678 nan 8.290 nan 0.000 0.562 1358 E N -0.075 120.121 120.200 -0.006 0.000 2.051 1358 E HA -0.112 4.238 4.350 0.001 0.000 0.192 1358 E C 2.448 179.146 176.600 0.164 0.000 0.991 1358 E CA 0.899 57.344 56.400 0.075 0.000 0.799 1358 E CB -0.256 29.499 29.700 0.092 0.000 0.748 1358 E HN 0.343 nan 8.360 nan 0.000 0.449 1359 L N 0.678 122.025 121.223 0.208 0.000 1.989 1359 L HA -0.193 4.148 4.340 0.001 0.000 0.211 1359 L C 2.178 179.295 176.870 0.412 0.000 1.071 1359 L CA 1.717 56.775 54.840 0.364 0.000 0.749 1359 L CB -0.525 41.753 42.059 0.365 0.000 0.890 1359 L HN -0.016 nan 8.230 nan 0.000 0.431 1360 F N 0.367 120.353 119.950 0.060 0.000 2.126 1360 F HA -0.187 4.340 4.527 0.001 0.000 0.299 1360 F C 2.696 178.541 175.800 0.076 0.000 1.096 1360 F CA 1.512 59.500 58.000 -0.019 0.000 1.255 1360 F CB -0.899 38.004 39.000 -0.162 0.000 0.997 1360 F HN 0.143 nan 8.300 nan 0.000 0.479 1361 R N -0.571 120.123 120.500 0.323 0.000 2.090 1361 R HA -0.126 4.214 4.340 0.001 0.000 0.228 1361 R C 2.049 178.415 176.300 0.110 0.000 1.110 1361 R CA 1.256 57.505 56.100 0.249 0.000 0.973 1361 R CB -0.304 30.069 30.300 0.121 0.000 0.869 1361 R HN 0.136 nan 8.270 nan 0.000 0.440 1362 E N 1.239 121.455 120.200 0.026 0.000 2.021 1362 E HA -0.113 4.237 4.350 0.001 0.000 0.189 1362 E C 1.667 178.221 176.600 -0.076 0.000 0.980 1362 E CA 0.701 57.000 56.400 -0.167 0.000 0.803 1362 E CB -0.223 29.106 29.700 -0.618 0.000 0.766 1362 E HN 0.033 nan 8.360 nan 0.000 0.449 1363 I N 0.974 121.558 120.570 0.024 0.000 2.300 1363 I HA -0.283 3.888 4.170 0.001 0.000 0.252 1363 I C 1.936 178.145 176.117 0.153 0.000 1.119 1363 I CA 2.189 63.621 61.300 0.220 0.000 1.384 1363 I CB -0.503 37.658 38.000 0.269 0.000 1.062 1363 I HN 0.362 nan 8.210 nan 0.000 0.426 1364 T N -3.704 110.899 114.554 0.081 0.000 3.129 1364 T HA 0.016 4.367 4.350 0.001 0.000 0.251 1364 T C 1.769 176.468 174.700 -0.002 0.000 1.117 1364 T CA 0.146 62.278 62.100 0.053 0.000 1.034 1364 T CB -0.285 68.648 68.868 0.109 0.000 0.968 1364 T HN 0.308 nan 8.240 nan 0.000 0.526 1365 K N 1.760 122.108 120.400 -0.087 0.000 2.020 1365 K HA -0.072 4.249 4.320 0.001 0.000 0.212 1365 K C -0.652 175.822 176.600 -0.209 0.000 1.050 1365 K CA 1.768 57.951 56.287 -0.173 0.000 0.929 1365 K CB -1.226 31.103 32.500 -0.286 0.000 0.714 1365 K HN 0.321 nan 8.250 nan 0.000 0.443 1366 P HA -0.145 nan 4.420 nan 0.000 0.218 1366 P C 0.633 177.899 177.300 -0.057 0.000 1.146 1366 P CA 1.173 64.149 63.100 -0.207 0.000 0.813 1366 P CB 0.083 31.672 31.700 -0.186 0.000 0.778 1367 L N -1.696 119.515 121.223 -0.020 0.000 2.592 1367 L HA 0.166 4.507 4.340 0.001 0.000 0.227 1367 L C 2.386 179.256 176.870 0.000 0.000 1.127 1367 L CA 0.609 55.459 54.840 0.016 0.000 0.884 1367 L CB -0.831 41.237 42.059 0.014 0.000 1.065 1367 L HN -0.143 nan 8.230 nan 0.000 0.457 1368 R N 0.977 121.465 120.500 -0.021 0.000 2.073 1368 R HA -0.134 4.207 4.340 0.001 0.000 0.234 1368 R C -0.412 175.877 176.300 -0.018 0.000 1.134 1368 R CA 1.623 57.711 56.100 -0.020 0.000 0.952 1368 R CB -1.023 29.251 30.300 -0.044 0.000 0.850 1368 R HN 0.244 nan 8.270 nan 0.000 0.433 1369 P HA -0.088 nan 4.420 nan 0.000 0.214 1369 P C 1.233 178.535 177.300 0.004 0.000 1.162 1369 P CA 1.148 64.242 63.100 -0.011 0.000 0.874 1369 P CB -0.058 31.635 31.700 -0.013 0.000 0.784 1370 L N -1.829 119.405 121.223 0.019 0.000 2.081 1370 L HA -0.101 4.240 4.340 0.001 0.000 0.212 1370 L C 1.741 178.620 176.870 0.014 0.000 1.080 1370 L CA 1.513 56.376 54.840 0.037 0.000 0.754 1370 L CB -1.624 40.481 42.059 0.078 0.000 0.893 1370 L HN 0.189 nan 8.230 nan 0.000 0.433 1371 G N 0.003 108.801 108.800 -0.003 0.000 2.147 1371 G HA2 -0.294 3.666 3.960 0.001 0.000 0.244 1371 G HA3 -0.294 3.666 3.960 0.001 0.000 0.244 1371 G C 0.606 175.481 174.900 -0.042 0.000 1.005 1371 G CA 0.485 45.576 45.100 -0.016 0.000 0.713 1371 G HN 0.463 nan 8.290 nan 0.000 0.515 1372 K N -0.361 119.998 120.400 -0.068 0.000 2.455 1372 K HA 0.564 4.884 4.320 0.001 0.000 0.206 1372 K C 2.354 178.789 176.600 -0.274 0.000 1.027 1372 K CA 0.370 56.540 56.287 -0.195 0.000 1.113 1372 K CB 0.499 32.856 32.500 -0.238 0.000 0.850 1372 K HN 0.377 nan 8.250 nan 0.000 0.503 1373 A N 1.773 124.528 122.820 -0.109 0.000 1.927 1373 A HA -0.261 4.059 4.320 0.001 0.000 0.220 1373 A C 2.381 179.889 177.584 -0.127 0.000 1.185 1373 A CA 2.297 54.290 52.037 -0.074 0.000 0.639 1373 A CB -0.575 18.499 19.000 0.124 0.000 0.820 1373 A HN 0.369 nan 8.150 nan 0.000 0.451 1374 A N -0.780 122.021 122.820 -0.031 0.000 1.908 1374 A HA -0.108 4.213 4.320 0.001 0.000 0.218 1374 A C 2.422 179.952 177.584 -0.090 0.000 1.181 1374 A CA 2.142 54.229 52.037 0.083 0.000 0.627 1374 A CB -0.978 18.079 19.000 0.096 0.000 0.818 1374 A HN 0.486 nan 8.150 nan 0.000 0.445 1375 S N -0.833 114.656 115.700 -0.351 0.000 2.387 1375 S HA -0.166 4.304 4.470 0.001 0.000 0.230 1375 S C 1.821 176.129 174.600 -0.487 0.000 1.035 1375 S CA 1.643 59.479 58.200 -0.608 0.000 1.014 1375 S CB -0.342 62.049 63.200 -1.348 0.000 0.836 1375 S HN 0.519 nan 8.310 nan 0.000 0.466 1376 L N 1.475 122.440 121.223 -0.430 0.000 2.071 1376 L HA 0.209 4.549 4.340 0.001 0.000 0.201 1376 L C 1.905 178.709 176.870 -0.110 0.000 1.076 1376 L CA 1.390 56.169 54.840 -0.102 0.000 0.755 1376 L CB -0.741 41.314 42.059 -0.007 0.000 0.915 1376 L HN 0.234 nan 8.230 nan 0.000 0.445 1377 L N -0.798 120.282 121.223 -0.238 0.000 2.043 1377 L HA -0.283 4.058 4.340 0.001 0.000 0.212 1377 L C 2.606 179.436 176.870 -0.067 0.000 1.075 1377 L CA 1.492 56.105 54.840 -0.380 0.000 0.752 1377 L CB -0.834 40.896 42.059 -0.549 0.000 0.891 1377 L HN 0.333 nan 8.230 nan 0.000 0.432 1378 L N -0.502 120.759 121.223 0.064 0.000 2.012 1378 L HA -0.217 4.123 4.340 0.001 0.000 0.210 1378 L C 2.810 179.725 176.870 0.075 0.000 1.073 1378 L CA 1.239 56.144 54.840 0.107 0.000 0.748 1378 L CB -0.535 41.548 42.059 0.040 0.000 0.891 1378 L HN 0.300 nan 8.230 nan 0.000 0.431 1379 E N 0.020 120.251 120.200 0.052 0.000 2.150 1379 E HA -0.162 4.188 4.350 0.001 0.000 0.193 1379 E C 2.250 178.907 176.600 0.096 0.000 0.985 1379 E CA 1.118 57.565 56.400 0.077 0.000 0.814 1379 E CB -0.077 29.689 29.700 0.110 0.000 0.752 1379 E HN 0.570 nan 8.360 nan 0.000 0.466 1380 I N 0.693 121.313 120.570 0.083 0.000 2.286 1380 I HA -0.233 3.937 4.170 0.001 0.000 0.245 1380 I C 2.397 178.630 176.117 0.194 0.000 1.104 1380 I CA 0.748 62.123 61.300 0.126 0.000 1.397 1380 I CB -0.254 37.789 38.000 0.073 0.000 1.072 1380 I HN 0.045 nan 8.210 nan 0.000 0.417 1381 L N 0.522 121.876 121.223 0.219 0.000 2.131 1381 L HA -0.122 4.219 4.340 0.001 0.000 0.210 1381 L C 2.670 179.665 176.870 0.209 0.000 1.092 1381 L CA 1.409 56.423 54.840 0.289 0.000 0.759 1381 L CB -1.079 41.184 42.059 0.340 0.000 0.903 1381 L HN 0.304 nan 8.230 nan 0.000 0.435 1382 G N 0.242 109.136 108.800 0.157 0.000 2.421 1382 G HA2 -0.200 3.760 3.960 0.001 0.000 0.216 1382 G HA3 -0.200 3.760 3.960 0.001 0.000 0.216 1382 G C 1.621 176.574 174.900 0.088 0.000 1.171 1382 G CA 0.549 45.714 45.100 0.107 0.000 0.775 1382 G HN 0.218 nan 8.290 nan 0.000 0.543 1383 L N -0.065 121.216 121.223 0.098 0.000 2.017 1383 L HA -0.022 4.319 4.340 0.001 0.000 0.208 1383 L C 2.953 179.867 176.870 0.073 0.000 1.073 1383 L CA 0.606 55.498 54.840 0.086 0.000 0.745 1383 L CB -0.497 41.620 42.059 0.098 0.000 0.894 1383 L HN 0.181 nan 8.230 nan 0.000 0.432 1384 L N -0.989 120.288 121.223 0.091 0.000 2.012 1384 L HA -0.290 4.050 4.340 0.001 0.000 0.210 1384 L C 2.834 179.714 176.870 0.016 0.000 1.073 1384 L CA 1.376 56.252 54.840 0.061 0.000 0.748 1384 L CB -0.819 41.306 42.059 0.111 0.000 0.891 1384 L HN 0.412 nan 8.230 nan 0.000 0.431 1385 C N 0.041 119.355 119.300 0.023 0.000 2.398 1385 C HA -0.217 4.243 4.460 0.001 0.000 0.276 1385 C C 2.832 177.845 174.990 0.039 0.000 1.222 1385 C CA 0.956 59.958 59.018 -0.027 0.000 1.746 1385 C CB -0.806 26.884 27.740 -0.083 0.000 2.039 1385 C HN 0.427 nan 8.230 nan 0.000 0.470 1386 K N 0.900 121.336 120.400 0.061 0.000 2.113 1386 K HA -0.169 4.152 4.320 0.001 0.000 0.208 1386 K C 2.115 178.812 176.600 0.162 0.000 1.047 1386 K CA 1.997 58.351 56.287 0.113 0.000 0.928 1386 K CB -0.209 32.340 32.500 0.083 0.000 0.716 1386 K HN 0.705 nan 8.250 nan 0.000 0.446 1387 S N -0.319 115.386 115.700 0.009 0.000 2.503 1387 S HA 0.016 4.487 4.470 0.001 0.000 0.215 1387 S C 1.575 175.719 174.600 -0.759 0.000 1.003 1387 S CA 0.311 58.408 58.200 -0.172 0.000 0.910 1387 S CB 0.128 63.259 63.200 -0.114 0.000 0.790 1387 S HN 0.407 nan 8.310 nan 0.000 0.514 1388 M N -1.386 117.876 119.600 -0.563 0.000 2.215 1388 M HA 0.518 4.998 4.480 0.001 0.000 0.391 1388 M C 0.464 176.717 176.300 -0.079 0.000 0.914 1388 M CA 0.053 54.961 55.300 -0.652 0.000 1.035 1388 M CB 1.096 33.534 32.600 -0.270 0.000 1.944 1388 M HN 0.283 nan 8.290 nan 0.000 0.656 1389 G N 1.978 110.845 108.800 0.112 0.000 3.039 1389 G HA2 -0.066 3.894 3.960 0.001 0.000 0.686 1389 G HA3 -0.066 3.894 3.960 0.001 0.000 0.686 1389 G C -2.713 172.164 174.900 -0.039 0.000 1.066 1389 G CA -0.628 44.580 45.100 0.180 0.000 0.774 1389 G HN 0.149 nan 8.290 nan 0.000 0.591 1390 P HA -0.127 nan 4.420 nan 0.000 0.216 1390 P C 1.949 179.076 177.300 -0.288 0.000 1.150 1390 P CA 1.641 64.371 63.100 -0.615 0.000 0.843 1390 P CB 0.151 31.304 31.700 -0.913 0.000 0.787 1391 K N 0.571 120.911 120.400 -0.100 0.000 1.991 1391 K HA -0.241 4.079 4.320 0.001 0.000 0.212 1391 K C 2.184 178.788 176.600 0.006 0.000 1.049 1391 K CA 2.009 58.294 56.287 -0.004 0.000 0.932 1391 K CB -0.383 32.117 32.500 -0.002 0.000 0.717 1391 K HN -0.093 nan 8.250 nan 0.000 0.441 1392 K N 0.261 120.642 120.400 -0.031 0.000 2.097 1392 K HA -0.106 4.214 4.320 0.001 0.000 0.206 1392 K C 1.878 178.491 176.600 0.021 0.000 1.049 1392 K CA 1.257 57.519 56.287 -0.041 0.000 0.933 1392 K CB 0.073 32.519 32.500 -0.090 0.000 0.717 1392 K HN 0.049 nan 8.250 nan 0.000 0.442 1393 V N 0.640 120.574 119.914 0.032 0.000 2.295 1393 V HA -0.190 3.931 4.120 0.001 0.000 0.246 1393 V C 2.395 178.634 176.094 0.243 0.000 1.049 1393 V CA 2.163 64.534 62.300 0.118 0.000 1.024 1393 V CB -0.958 30.926 31.823 0.103 0.000 0.648 1393 V HN 0.620 nan 8.190 nan 0.000 0.447 1394 G N 0.298 109.280 108.800 0.303 0.000 2.440 1394 G HA2 -0.314 3.647 3.960 0.001 0.000 0.218 1394 G HA3 -0.314 3.647 3.960 0.001 0.000 0.218 1394 G C 1.802 176.853 174.900 0.253 0.000 1.154 1394 G CA 1.827 47.127 45.100 0.334 0.000 0.767 1394 G HN 0.584 nan 8.290 nan 0.000 0.552 1395 T N -0.090 114.560 114.554 0.160 0.000 2.746 1395 T HA -0.004 4.346 4.350 0.001 0.000 0.267 1395 T C 2.427 177.190 174.700 0.105 0.000 1.039 1395 T CA 1.134 63.299 62.100 0.108 0.000 1.142 1395 T CB -0.361 68.532 68.868 0.042 0.000 0.866 1395 T HN 0.188 nan 8.240 nan 0.000 0.444 1396 L N -0.649 120.634 121.223 0.101 0.000 2.046 1396 L HA -0.026 4.315 4.340 0.001 0.000 0.208 1396 L C 2.824 179.741 176.870 0.078 0.000 1.077 1396 L CA 1.783 56.657 54.840 0.058 0.000 0.747 1396 L CB -0.698 41.384 42.059 0.038 0.000 0.896 1396 L HN 0.497 nan 8.230 nan 0.000 0.432 1397 W N 1.749 123.021 121.300 -0.046 0.000 2.333 1397 W HA -0.230 4.430 4.660 0.000 0.000 0.316 1397 W C 2.510 178.996 176.519 -0.056 0.000 1.215 1397 W CA 1.571 58.870 57.345 -0.076 0.000 1.278 1397 W CB -0.397 29.059 29.460 -0.006 0.000 1.154 1397 W HN 0.079 nan 8.180 nan 0.000 0.486 1398 R N 0.256 120.931 120.500 0.291 0.000 2.083 1398 R HA -0.189 4.151 4.340 0.001 0.000 0.237 1398 R C 2.253 178.556 176.300 0.005 0.000 1.137 1398 R CA 2.296 58.486 56.100 0.151 0.000 0.951 1398 R CB -0.627 29.784 30.300 0.185 0.000 0.851 1398 R HN 0.275 nan 8.270 nan 0.000 0.434 1399 E N -0.057 120.146 120.200 0.005 0.000 2.209 1399 E HA -0.162 4.189 4.350 0.001 0.000 0.196 1399 E C 1.530 178.082 176.600 -0.081 0.000 0.993 1399 E CA 1.010 57.392 56.400 -0.030 0.000 0.819 1399 E CB -0.025 29.663 29.700 -0.021 0.000 0.745 1399 E HN 0.365 nan 8.360 nan 0.000 0.477 1400 A N 0.545 123.282 122.820 -0.139 0.000 2.238 1400 A HA 0.234 4.555 4.320 0.001 0.000 0.208 1400 A C 1.719 179.169 177.584 -0.223 0.000 1.177 1400 A CA 0.651 52.570 52.037 -0.196 0.000 0.804 1400 A CB -0.426 18.400 19.000 -0.290 0.000 0.823 1400 A HN 0.302 nan 8.150 nan 0.000 0.482 1401 G N -0.690 107.991 108.800 -0.197 0.000 2.225 1401 G HA2 -0.252 3.708 3.960 0.001 0.000 0.267 1401 G HA3 -0.252 3.708 3.960 0.001 0.000 0.267 1401 G C 0.114 174.840 174.900 -0.291 0.000 1.024 1401 G CA 0.522 45.513 45.100 -0.182 0.000 0.784 1401 G HN 0.479 nan 8.290 nan 0.000 0.507 1402 L N 0.175 121.075 121.223 -0.539 0.000 2.439 1402 L HA 0.576 4.917 4.340 0.001 0.000 0.269 1402 L C 0.847 177.350 176.870 -0.613 0.000 1.179 1402 L CA 0.314 54.661 54.840 -0.822 0.000 0.828 1402 L CB 1.583 42.623 42.059 -1.699 0.000 1.106 1402 L HN 0.250 nan 8.230 nan 0.000 0.467 1403 S N 0.480 115.960 115.700 -0.367 0.000 2.575 1403 S HA 0.260 4.730 4.470 0.001 0.000 0.278 1403 S C 0.091 174.775 174.600 0.140 0.000 1.139 1403 S CA -0.745 57.456 58.200 0.002 0.000 0.954 1403 S CB 0.694 63.878 63.200 -0.027 0.000 1.054 1403 S HN 0.585 nan 8.310 nan 0.000 0.483 1404 W N 3.548 125.148 121.300 0.501 0.000 2.421 1404 W HA 0.017 4.677 4.660 0.000 0.000 0.270 1404 W C 2.314 178.892 176.519 0.097 0.000 1.233 1404 W CA 0.757 58.368 57.345 0.443 0.000 1.226 1404 W CB 0.100 29.733 29.460 0.289 0.000 1.121 1404 W HN 0.745 nan 8.180 nan 0.000 0.579 1405 K N 1.163 121.688 120.400 0.208 0.000 2.074 1405 K HA -0.251 4.069 4.320 0.001 0.000 0.209 1405 K C 1.548 178.075 176.600 -0.121 0.000 1.048 1405 K CA 1.879 58.187 56.287 0.035 0.000 0.926 1405 K CB -0.217 32.285 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 -0.339 0.000 2.267 1406 E HA -0.181 4.170 4.350 0.001 0.000 0.197 1406 E C 0.924 176.996 176.600 -0.880 0.000 0.998 1406 E CA 1.079 57.028 56.400 -0.751 0.000 0.830 1406 E CB 0.006 28.933 29.700 -1.288 0.000 0.751 1406 E HN 0.409 nan 8.360 nan 0.000 0.491 1407 F N -0.551 119.431 119.950 0.054 0.000 2.746 1407 F HA 0.272 4.800 4.527 0.001 0.000 0.320 1407 F C 0.584 176.391 175.800 0.011 0.000 1.097 1407 F CA -0.255 57.779 58.000 0.056 0.000 1.195 1407 F CB 0.483 39.562 39.000 0.133 0.000 1.056 1407 F HN -0.203 nan 8.300 nan 0.000 0.562 1408 L N 1.256 122.529 121.223 0.084 0.000 2.352 1408 L HA 0.509 4.850 4.340 0.001 0.000 0.269 1408 L C -2.184 174.650 176.870 -0.059 0.000 1.034 1408 L CA -2.083 52.715 54.840 -0.070 0.000 0.806 1408 L CB 0.930 42.863 42.059 -0.209 0.000 1.244 1408 L HN -0.269 nan 8.230 nan 0.000 0.447 1409 P HA 0.019 nan 4.420 nan 0.000 0.267 1409 P C -1.015 176.258 177.300 -0.045 0.000 1.200 1409 P CA -0.318 62.753 63.100 -0.048 0.000 0.772 1409 P CB 0.377 32.050 31.700 -0.044 0.000 0.855 1410 E N 1.207 121.385 120.200 -0.036 0.000 2.465 1410 E HA 0.289 4.640 4.350 0.001 0.000 0.260 1410 E C 1.561 178.146 176.600 -0.025 0.000 0.980 1410 E CA 1.632 58.014 56.400 -0.031 0.000 0.927 1410 E CB -0.663 29.021 29.700 -0.027 0.000 0.934 1410 E HN 0.712 nan 8.360 nan 0.000 0.459 1411 G N 2.637 111.424 108.800 -0.022 0.000 2.225 1411 G HA2 -0.380 3.580 3.960 0.001 0.000 0.254 1411 G HA3 -0.380 3.580 3.960 0.001 0.000 0.254 1411 G C 0.407 175.298 174.900 -0.015 0.000 0.988 1411 G CA 0.304 45.394 45.100 -0.015 0.000 0.625 1411 G HN 0.556 nan 8.290 nan 0.000 0.527 1412 Q N 0.890 120.674 119.800 -0.027 0.000 2.337 1412 Q HA 0.378 4.718 4.340 0.001 0.000 0.270 1412 Q C -0.266 175.725 176.000 -0.014 0.000 1.002 1412 Q CA 0.039 55.824 55.803 -0.029 0.000 0.888 1412 Q CB 0.305 29.002 28.738 -0.068 0.000 1.222 1412 Q HN 0.321 nan 8.270 nan 0.000 0.400 1413 D N 3.939 124.342 120.400 0.006 0.000 2.344 1413 D HA 0.016 4.656 4.640 0.001 0.000 0.253 1413 D C 1.067 177.392 176.300 0.042 0.000 1.255 1413 D CA -0.261 53.752 54.000 0.020 0.000 0.894 1413 D CB 0.485 41.296 40.800 0.019 0.000 1.067 1413 D HN 0.510 nan 8.370 nan 0.000 0.492 1414 I N 3.691 124.289 120.570 0.048 0.000 2.118 1414 I HA -0.180 3.990 4.170 0.001 0.000 0.241 1414 I C 2.413 178.578 176.117 0.081 0.000 1.070 1414 I CA 1.382 62.732 61.300 0.083 0.000 1.327 1414 I CB -1.674 36.401 38.000 0.125 0.000 1.034 1414 I HN 0.620 nan 8.210 nan 0.000 0.405 1415 G N 0.688 109.521 108.800 0.054 0.000 2.513 1415 G HA2 -0.272 3.689 3.960 0.001 0.000 0.219 1415 G HA3 -0.272 3.689 3.960 0.001 0.000 0.219 1415 G C 1.853 176.754 174.900 0.001 0.000 1.160 1415 G CA 1.551 46.667 45.100 0.027 0.000 0.767 1415 G HN 0.543 nan 8.290 nan 0.000 0.571 1416 A N 0.405 123.232 122.820 0.011 0.000 1.841 1416 A HA 0.143 4.464 4.320 0.001 0.000 0.214 1416 A C 2.194 179.754 177.584 -0.039 0.000 1.195 1416 A CA 1.596 53.626 52.037 -0.012 0.000 0.611 1416 A CB -0.694 18.308 19.000 0.004 0.000 0.835 1416 A HN 0.470 nan 8.150 nan 0.000 0.443 1417 F N 1.169 121.022 119.950 -0.160 0.000 2.063 1417 F HA -0.245 4.282 4.527 0.000 0.000 0.298 1417 F C 2.168 177.772 175.800 -0.325 0.000 1.109 1417 F CA 2.418 60.270 58.000 -0.246 0.000 1.212 1417 F CB -0.493 38.331 39.000 -0.293 0.000 0.973 1417 F HN 0.030 nan 8.300 nan 0.000 0.480 1418 V N 0.688 120.439 119.914 -0.272 0.000 2.392 1418 V HA -0.321 3.800 4.120 0.001 0.000 0.249 1418 V C 2.748 178.631 176.094 -0.352 0.000 1.059 1418 V CA 1.817 63.868 62.300 -0.416 0.000 1.051 1418 V CB -1.699 30.013 31.823 -0.184 0.000 0.658 1418 V HN 0.560 nan 8.190 nan 0.000 0.455 1419 A N 0.802 123.488 122.820 -0.224 0.000 1.898 1419 A HA -0.218 4.103 4.320 0.001 0.000 0.216 1419 A C 2.276 179.738 177.584 -0.203 0.000 1.181 1419 A CA 1.698 53.635 52.037 -0.166 0.000 0.620 1419 A CB -0.411 18.529 19.000 -0.100 0.000 0.819 1419 A HN 0.767 nan 8.150 nan 0.000 0.442 1420 E N -1.341 118.706 120.200 -0.254 0.000 2.072 1420 E HA -0.210 4.140 4.350 0.001 0.000 0.190 1420 E C 1.595 178.002 176.600 -0.322 0.000 0.982 1420 E CA 1.180 57.431 56.400 -0.248 0.000 0.803 1420 E CB -0.343 29.225 29.700 -0.221 0.000 0.755 1420 E HN 0.407 nan 8.360 nan 0.000 0.453 1421 Q N 0.817 120.294 119.800 -0.539 0.000 2.444 1421 Q HA 0.073 4.413 4.340 0.001 0.000 0.206 1421 Q C -0.369 175.417 176.000 -0.355 0.000 0.948 1421 Q CA 0.482 55.958 55.803 -0.546 0.000 0.946 1421 Q CB -0.127 28.015 28.738 -0.993 0.000 1.027 1421 Q HN 0.314 nan 8.270 nan 0.000 0.513 1422 K N -1.337 118.892 120.400 -0.285 0.000 3.162 1422 K HA -0.129 4.191 4.320 0.001 0.000 0.268 1422 K C -0.304 176.237 176.600 -0.100 0.000 1.062 1422 K CA 0.668 56.868 56.287 -0.145 0.000 0.769 1422 K CB -2.513 29.945 32.500 -0.071 0.000 1.274 1422 K HN 0.147 nan 8.250 nan 0.000 0.478 1423 V N -2.951 116.797 119.914 -0.277 0.000 2.838 1423 V HA 0.204 4.324 4.120 0.001 0.000 0.363 1423 V C 1.026 176.791 176.094 -0.548 0.000 1.324 1423 V CA -0.444 61.536 62.300 -0.533 0.000 1.220 1423 V CB 0.808 32.278 31.823 -0.588 0.000 1.328 1423 V HN 0.141 nan 8.190 nan 0.000 0.595 1424 E N 1.207 121.270 120.200 -0.228 0.000 2.267 1424 E HA -0.195 4.156 4.350 0.001 0.000 0.197 1424 E C 1.622 178.170 176.600 -0.086 0.000 0.998 1424 E CA 1.975 58.302 56.400 -0.121 0.000 0.830 1424 E CB -0.668 29.015 29.700 -0.028 0.000 0.751 1424 E HN 1.039 nan 8.360 nan 0.000 0.491 1425 Y N -0.319 119.966 120.300 -0.026 0.000 2.483 1425 Y HA -0.100 4.451 4.550 0.001 0.000 0.291 1425 Y C 2.073 177.956 175.900 -0.028 0.000 1.143 1425 Y CA 1.191 59.283 58.100 -0.013 0.000 1.289 1425 Y CB -1.312 37.144 38.460 -0.007 0.000 0.983 1425 Y HN 0.026 nan 8.280 nan 0.000 0.556 1426 T N -1.688 112.579 114.554 -0.479 0.000 3.085 1426 T HA 0.141 4.491 4.350 0.001 0.000 0.263 1426 T C 0.771 175.416 174.700 -0.092 0.000 1.127 1426 T CA -0.007 61.811 62.100 -0.470 0.000 1.103 1426 T CB -0.612 67.591 68.868 -1.109 0.000 0.921 1426 T HN 0.302 nan 8.240 nan 0.000 0.510 1439 L N 1.505 122.740 121.223 0.020 0.000 2.453 1439 L HA 0.191 4.532 4.340 0.001 0.000 0.272 1439 L C -1.427 175.460 176.870 0.027 0.000 1.182 1439 L CA -1.363 53.490 54.840 0.022 0.000 0.858 1439 L CB 0.717 42.788 42.059 0.021 0.000 1.120 1439 L HN 0.548 nan 8.230 nan 0.000 0.474 1440 P HA -0.181 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 1.322 64.446 63.100 0.039 0.000 0.837 1440 P CB 0.208 31.927 31.700 0.031 0.000 0.786 1441 S N -0.464 115.257 115.700 0.035 0.000 2.382 1441 S HA -0.185 4.285 4.470 0.001 0.000 0.228 1441 S C 1.839 176.457 174.600 0.029 0.000 1.027 1441 S CA 1.224 59.444 58.200 0.033 0.000 0.991 1441 S CB -1.078 62.139 63.200 0.028 0.000 0.823 1441 S HN 0.241 nan 8.310 nan 0.000 0.469 1442 E N 0.758 120.973 120.200 0.025 0.000 2.158 1442 E HA -0.033 4.317 4.350 0.001 0.000 0.191 1442 E C 2.067 178.677 176.600 0.017 0.000 0.982 1442 E CA 0.852 57.263 56.400 0.017 0.000 0.823 1442 E CB -0.134 29.575 29.700 0.015 0.000 0.766 1442 E HN 0.549 nan 8.360 nan 0.000 0.468 1443 E N 1.537 121.756 120.200 0.032 0.000 2.110 1443 E HA -0.154 4.196 4.350 0.001 0.000 0.193 1443 E C 1.890 178.521 176.600 0.051 0.000 0.988 1443 E CA 0.605 57.031 56.400 0.043 0.000 0.804 1443 E CB -0.206 29.532 29.700 0.064 0.000 0.745 1443 E HN 0.180 nan 8.360 nan 0.000 0.458 1444 L N 0.503 121.766 121.223 0.067 0.000 1.990 1444 L HA -0.285 4.055 4.340 0.001 0.000 0.213 1444 L C 1.790 178.656 176.870 -0.007 0.000 1.072 1444 L CA 1.822 56.709 54.840 0.077 0.000 0.755 1444 L CB -0.499 41.605 42.059 0.075 0.000 0.889 1444 L HN 0.278 nan 8.230 nan 0.000 0.432 1445 N N 0.153 118.844 118.700 -0.016 0.000 2.094 1445 N HA -0.228 4.512 4.740 0.001 0.000 0.191 1445 N C 1.791 177.254 175.510 -0.077 0.000 1.023 1445 N CA 1.476 54.496 53.050 -0.049 0.000 0.857 1445 N CB -0.408 38.054 38.487 -0.042 0.000 1.013 1445 N HN 0.419 nan 8.380 nan 0.000 0.426 1446 R N 0.921 121.385 120.500 -0.060 0.000 2.096 1446 R HA -0.066 4.274 4.340 0.001 0.000 0.235 1446 R C 2.218 178.450 176.300 -0.113 0.000 1.127 1446 R CA 1.171 57.228 56.100 -0.071 0.000 0.968 1446 R CB -0.176 30.101 30.300 -0.039 0.000 0.861 1446 R HN 0.451 nan 8.270 nan 0.000 0.440 1447 Q N 0.316 120.030 119.800 -0.144 0.000 2.137 1447 Q HA -0.028 4.312 4.340 0.001 0.000 0.198 1447 Q C 2.188 177.908 176.000 -0.466 0.000 0.960 1447 Q CA 0.925 56.545 55.803 -0.304 0.000 0.847 1447 Q CB 0.041 28.585 28.738 -0.324 0.000 0.915 1447 Q HN 0.317 nan 8.270 nan 0.000 0.448 1448 L N 0.684 121.685 121.223 -0.370 0.000 2.056 1448 L HA -0.180 4.161 4.340 0.001 0.000 0.207 1448 L C 2.544 179.292 176.870 -0.204 0.000 1.078 1448 L CA 1.263 55.911 54.840 -0.320 0.000 0.749 1448 L CB -0.433 41.512 42.059 -0.190 0.000 0.901 1448 L HN 0.332 nan 8.230 nan 0.000 0.433 1449 E N 1.043 121.154 120.200 -0.147 0.000 2.058 1449 E HA -0.315 4.035 4.350 0.001 0.000 0.194 1449 E C 2.245 178.793 176.600 -0.087 0.000 0.997 1449 E CA 1.689 58.037 56.400 -0.086 0.000 0.801 1449 E CB -0.010 29.634 29.700 -0.093 0.000 0.746 1449 E HN 0.317 nan 8.360 nan 0.000 0.450 1450 K N 0.471 120.794 120.400 -0.128 0.000 2.026 1450 K HA -0.171 4.150 4.320 0.001 0.000 0.208 1450 K C 2.377 178.897 176.600 -0.134 0.000 1.048 1450 K CA 1.467 57.685 56.287 -0.116 0.000 0.929 1450 K CB -0.218 32.205 32.500 -0.129 0.000 0.713 1450 K HN 0.214 nan 8.250 nan 0.000 0.439 1451 L N 1.113 122.204 121.223 -0.220 0.000 2.013 1451 L HA -0.256 4.084 4.340 0.001 0.000 0.212 1451 L C 2.507 179.305 176.870 -0.121 0.000 1.073 1451 L CA 1.374 56.087 54.840 -0.213 0.000 0.753 1451 L CB -0.513 41.349 42.059 -0.328 0.000 0.890 1451 L HN 0.274 nan 8.230 nan 0.000 0.432 1452 L N -0.580 120.585 121.223 -0.096 0.000 2.056 1452 L HA -0.193 4.148 4.340 0.001 0.000 0.207 1452 L C 2.664 179.524 176.870 -0.017 0.000 1.078 1452 L CA 0.976 55.790 54.840 -0.043 0.000 0.749 1452 L CB -0.566 41.488 42.059 -0.009 0.000 0.901 1452 L HN 0.195 nan 8.230 nan 0.000 0.433 1453 K N 1.612 122.006 120.400 -0.010 0.000 2.074 1453 K HA -0.227 4.093 4.320 0.001 0.000 0.209 1453 K C 1.695 178.291 176.600 -0.008 0.000 1.048 1453 K CA 1.816 58.106 56.287 0.006 0.000 0.926 1453 K CB -0.200 32.302 32.500 0.004 0.000 0.713 1453 K HN 0.561 nan 8.250 nan 0.000 0.444 1454 E N -0.989 119.196 120.200 -0.026 0.000 2.463 1454 E HA 0.101 4.452 4.350 0.001 0.000 0.191 1454 E C 0.573 177.162 176.600 -0.018 0.000 1.083 1454 E CA 0.392 56.779 56.400 -0.021 0.000 0.872 1454 E CB -0.294 29.389 29.700 -0.029 0.000 0.966 1454 E HN 0.349 nan 8.360 nan 0.000 0.491 1455 G N 1.294 110.084 108.800 -0.018 0.000 2.249 1455 G HA2 -0.322 3.639 3.960 0.001 0.000 0.273 1455 G HA3 -0.322 3.639 3.960 0.001 0.000 0.273 1455 G C 0.077 174.965 174.900 -0.020 0.000 1.036 1455 G CA 0.439 45.529 45.100 -0.015 0.000 0.824 1455 G HN 0.338 nan 8.290 nan 0.000 0.504 1456 S N 0.191 115.871 115.700 -0.033 0.000 2.560 1456 S HA 0.473 4.943 4.470 0.001 0.000 0.284 1456 S C 1.140 175.719 174.600 -0.036 0.000 1.327 1456 S CA 0.227 58.408 58.200 -0.032 0.000 1.055 1456 S CB 1.101 64.270 63.200 -0.052 0.000 0.868 1456 S HN 1.499 nan 8.310 nan 0.000 0.506 1457 S N 2.733 118.420 115.700 -0.022 0.000 2.624 1457 S HA 0.214 4.684 4.470 0.001 0.000 0.263 1457 S C 0.966 175.524 174.600 -0.071 0.000 1.287 1457 S CA -0.676 57.508 58.200 -0.027 0.000 0.990 1457 S CB 0.292 63.493 63.200 0.002 0.000 0.950 1457 S HN 0.622 nan 8.310 nan 0.000 0.561 1458 N N 1.112 119.746 118.700 -0.111 0.000 2.149 1458 N HA -0.106 4.634 4.740 0.001 0.000 0.188 1458 N C 1.803 177.138 175.510 -0.292 0.000 1.019 1458 N CA 1.237 54.108 53.050 -0.299 0.000 0.857 1458 N CB -0.535 37.773 38.487 -0.298 0.000 0.997 1458 N HN 0.571 nan 8.380 nan 0.000 0.426 1459 Q N 0.627 120.436 119.800 0.016 0.000 2.050 1459 Q HA -0.099 4.241 4.340 0.001 0.000 0.202 1459 Q C 2.129 178.228 176.000 0.166 0.000 0.980 1459 Q CA 1.008 56.935 55.803 0.206 0.000 0.840 1459 Q CB -0.429 28.411 28.738 0.171 0.000 0.898 1459 Q HN 0.447 nan 8.270 nan 0.000 0.424 1460 R N 0.263 120.816 120.500 0.088 0.000 2.091 1460 R HA -0.123 4.218 4.340 0.001 0.000 0.238 1460 R C 2.147 178.533 176.300 0.143 0.000 1.136 1460 R CA 1.421 57.584 56.100 0.107 0.000 0.959 1460 R CB -0.023 30.313 30.300 0.060 0.000 0.856 1460 R HN 0.099 nan 8.270 nan 0.000 0.437 1461 V N 0.540 120.482 119.914 0.046 0.000 2.358 1461 V HA -0.199 3.921 4.120 0.001 0.000 0.246 1461 V C 2.076 178.304 176.094 0.223 0.000 1.047 1461 V CA 1.512 63.850 62.300 0.063 0.000 1.035 1461 V CB -0.639 31.117 31.823 -0.112 0.000 0.658 1461 V HN 0.199 nan 8.190 nan 0.000 0.452 1462 F N 1.138 121.202 119.950 0.189 0.000 2.095 1462 F HA -0.175 4.353 4.527 0.000 0.000 0.298 1462 F C 2.350 178.259 175.800 0.182 0.000 1.104 1462 F CA 1.549 59.671 58.000 0.203 0.000 1.232 1462 F CB -0.972 38.115 39.000 0.146 0.000 0.987 1462 F HN 0.248 nan 8.300 nan 0.000 0.475 1463 D N -1.381 119.232 120.400 0.355 0.000 2.097 1463 D HA -0.235 4.405 4.640 0.001 0.000 0.195 1463 D C 2.083 178.501 176.300 0.196 0.000 0.989 1463 D CA 1.135 55.270 54.000 0.225 0.000 0.827 1463 D CB -0.926 39.980 40.800 0.176 0.000 0.966 1463 D HN 0.402 nan 8.370 nan 0.000 0.456 1464 W N 1.718 123.069 121.300 0.086 0.000 2.333 1464 W HA -0.181 4.479 4.660 0.000 0.000 0.316 1464 W C 2.198 178.748 176.519 0.053 0.000 1.215 1464 W CA 1.432 58.809 57.345 0.053 0.000 1.278 1464 W CB -0.426 29.052 29.460 0.030 0.000 1.154 1464 W HN -0.126 nan 8.180 nan 0.000 0.486 1465 I N 0.426 121.211 120.570 0.359 0.000 2.163 1465 I HA -0.335 3.836 4.170 0.001 0.000 0.243 1465 I C 2.495 178.596 176.117 -0.026 0.000 1.085 1465 I CA 1.622 63.026 61.300 0.174 0.000 1.347 1465 I CB -0.706 37.448 38.000 0.256 0.000 1.044 1465 I HN -0.016 nan 8.210 nan 0.000 0.408 1466 E N 0.794 121.027 120.200 0.054 0.000 2.110 1466 E HA -0.183 4.168 4.350 0.001 0.000 0.193 1466 E C 2.264 178.812 176.600 -0.088 0.000 0.988 1466 E CA 1.516 57.923 56.400 0.012 0.000 0.804 1466 E CB -0.206 29.527 29.700 0.055 0.000 0.745 1466 E HN 0.519 nan 8.360 nan 0.000 0.458 1467 A N 0.890 123.614 122.820 -0.159 0.000 2.067 1467 A HA -0.043 4.277 4.320 0.001 0.000 0.217 1467 A C 1.727 179.105 177.584 -0.342 0.000 1.156 1467 A CA 0.809 52.716 52.037 -0.215 0.000 0.683 1467 A CB -0.036 18.843 19.000 -0.201 0.000 0.808 1467 A HN 0.129 nan 8.150 nan 0.000 0.455 1468 N N -0.993 117.374 118.700 -0.555 0.000 2.273 1468 N HA 0.240 4.981 4.740 0.001 0.000 0.192 1468 N C -0.131 175.153 175.510 -0.377 0.000 1.132 1468 N CA 0.152 52.824 53.050 -0.629 0.000 0.887 1468 N CB 0.624 38.293 38.487 -1.363 0.000 1.048 1468 N HN 0.329 nan 8.380 nan 0.000 0.490 1469 L N 0.930 121.996 121.223 -0.261 0.000 2.322 1469 L HA 0.389 4.729 4.340 0.001 0.000 0.269 1469 L C 0.800 177.625 176.870 -0.075 0.000 1.012 1469 L CA -0.705 54.060 54.840 -0.125 0.000 0.815 1469 L CB 1.735 43.754 42.059 -0.066 0.000 1.295 1469 L HN -0.032 nan 8.230 nan 0.000 0.438 1470 S N -0.502 115.173 115.700 -0.042 0.000 2.655 1470 S HA 0.171 4.641 4.470 0.001 0.000 0.265 1470 S C 0.764 175.362 174.600 -0.004 0.000 1.240 1470 S CA -0.536 57.649 58.200 -0.024 0.000 0.986 1470 S CB 1.310 64.501 63.200 -0.016 0.000 0.985 1470 S HN 0.694 nan 8.310 nan 0.000 0.562 1471 E N 0.241 120.442 120.200 0.002 0.000 2.058 1471 E HA -0.192 4.158 4.350 0.001 0.000 0.194 1471 E C 2.182 178.797 176.600 0.026 0.000 0.997 1471 E CA 1.511 57.920 56.400 0.016 0.000 0.801 1471 E CB -0.153 29.554 29.700 0.011 0.000 0.746 1471 E HN 0.577 nan 8.360 nan 0.000 0.450 1472 Q N 0.487 120.298 119.800 0.019 0.000 2.050 1472 Q HA -0.183 4.157 4.340 0.001 0.000 0.202 1472 Q C 2.101 178.119 176.000 0.030 0.000 0.980 1472 Q CA 1.354 57.171 55.803 0.024 0.000 0.840 1472 Q CB -0.390 28.358 28.738 0.018 0.000 0.898 1472 Q HN 0.442 nan 8.270 nan 0.000 0.424 1473 Q N 0.073 119.886 119.800 0.022 0.000 2.135 1473 Q HA -0.092 4.248 4.340 0.001 0.000 0.204 1473 Q C 2.229 178.247 176.000 0.031 0.000 0.981 1473 Q CA 0.922 56.738 55.803 0.021 0.000 0.856 1473 Q CB -0.170 28.573 28.738 0.008 0.000 0.902 1473 Q HN 0.386 nan 8.270 nan 0.000 0.425 1474 I N 0.586 121.182 120.570 0.044 0.000 2.335 1474 I HA -0.195 3.976 4.170 0.001 0.000 0.251 1474 I C 1.966 178.173 176.117 0.150 0.000 1.129 1474 I CA 0.997 62.349 61.300 0.087 0.000 1.402 1474 I CB -0.116 37.952 38.000 0.114 0.000 1.069 1474 I HN 0.140 nan 8.210 nan 0.000 0.424 1475 V N -2.146 117.836 119.914 0.114 0.000 3.542 1475 V HA 0.199 4.319 4.120 0.001 0.000 0.296 1475 V C 1.007 177.159 176.094 0.096 0.000 1.364 1475 V CA -0.313 62.061 62.300 0.124 0.000 1.118 1475 V CB -0.971 30.902 31.823 0.084 0.000 0.972 1475 V HN 0.336 nan 8.190 nan 0.000 0.430 1476 S N 0.828 116.573 115.700 0.075 0.000 2.585 1476 S HA 0.239 4.709 4.470 0.001 0.000 0.273 1476 S C 0.878 175.515 174.600 0.063 0.000 1.339 1476 S CA -0.037 58.198 58.200 0.058 0.000 1.028 1476 S CB 0.718 63.944 63.200 0.043 0.000 0.906 1476 S HN 0.425 nan 8.310 nan 0.000 0.528 1477 N N 1.617 120.352 118.700 0.059 0.000 2.309 1477 N HA -0.061 4.679 4.740 0.001 0.000 0.182 1477 N C 1.627 177.170 175.510 0.055 0.000 1.018 1477 N CA 1.386 54.474 53.050 0.063 0.000 0.876 1477 N CB -1.029 37.498 38.487 0.067 0.000 0.972 1477 N HN 0.758 nan 8.380 nan 0.000 0.434 1478 T N 2.181 116.763 114.554 0.046 0.000 2.684 1478 T HA -0.116 4.235 4.350 0.001 0.000 0.267 1478 T C 2.030 176.746 174.700 0.026 0.000 1.036 1478 T CA 0.713 62.835 62.100 0.037 0.000 1.148 1478 T CB -0.321 68.567 68.868 0.033 0.000 0.863 1478 T HN 0.220 nan 8.240 nan 0.000 0.436 1479 L N 1.079 122.310 121.223 0.014 0.000 2.017 1479 L HA -0.109 4.231 4.340 0.001 0.000 0.208 1479 L C 2.450 179.308 176.870 -0.020 0.000 1.073 1479 L CA 1.312 56.136 54.840 -0.027 0.000 0.745 1479 L CB -0.461 41.550 42.059 -0.081 0.000 0.894 1479 L HN 0.074 nan 8.230 nan 0.000 0.432 1480 V N 0.467 120.398 119.914 0.029 0.000 2.252 1480 V HA -0.346 3.774 4.120 0.001 0.000 0.249 1480 V C 2.747 178.867 176.094 0.044 0.000 1.056 1480 V CA 2.400 64.737 62.300 0.062 0.000 1.022 1480 V CB -0.728 31.144 31.823 0.082 0.000 0.641 1480 V HN 0.492 nan 8.190 nan 0.000 0.445 1481 R N -0.184 120.342 120.500 0.044 0.000 2.073 1481 R HA -0.131 4.209 4.340 0.001 0.000 0.234 1481 R C 2.453 178.768 176.300 0.026 0.000 1.134 1481 R CA 1.533 57.659 56.100 0.044 0.000 0.952 1481 R CB -0.675 29.659 30.300 0.057 0.000 0.850 1481 R HN 0.549 nan 8.270 nan 0.000 0.433 1482 A N 1.387 124.216 122.820 0.015 0.000 1.877 1482 A HA -0.147 4.173 4.320 0.001 0.000 0.216 1482 A C 2.176 179.755 177.584 -0.007 0.000 1.186 1482 A CA 1.029 53.066 52.037 -0.000 0.000 0.620 1482 A CB -0.616 18.381 19.000 -0.004 0.000 0.822 1482 A HN 0.249 nan 8.150 nan 0.000 0.443 1483 L N -1.603 119.613 121.223 -0.011 0.000 2.017 1483 L HA -0.213 4.128 4.340 0.001 0.000 0.208 1483 L C 2.724 179.607 176.870 0.020 0.000 1.073 1483 L CA 2.344 57.179 54.840 -0.008 0.000 0.745 1483 L CB -0.329 41.724 42.059 -0.011 0.000 0.894 1483 L HN 0.536 nan 8.230 nan 0.000 0.432 1484 M N -0.506 119.111 119.600 0.028 0.000 2.080 1484 M HA -0.199 4.281 4.480 0.001 0.000 0.260 1484 M C 2.080 178.390 176.300 0.016 0.000 1.068 1484 M CA 2.289 57.605 55.300 0.027 0.000 1.109 1484 M CB -0.600 32.011 32.600 0.018 0.000 1.342 1484 M HN 0.091 nan 8.290 nan 0.000 0.405 1485 T N 0.590 115.152 114.554 0.014 0.000 2.674 1485 T HA -0.075 4.275 4.350 0.001 0.000 0.265 1485 T C 1.832 176.569 174.700 0.062 0.000 1.039 1485 T CA 1.765 63.876 62.100 0.018 0.000 1.150 1485 T CB -0.833 68.039 68.868 0.006 0.000 0.864 1485 T HN 0.556 nan 8.240 nan 0.000 0.427 1486 A N 0.949 123.794 122.820 0.043 0.000 1.877 1486 A HA -0.065 4.255 4.320 0.001 0.000 0.216 1486 A C 2.616 180.272 177.584 0.120 0.000 1.186 1486 A CA 1.501 53.580 52.037 0.070 0.000 0.620 1486 A CB -1.117 17.884 19.000 0.001 0.000 0.822 1486 A HN 0.339 nan 8.150 nan 0.000 0.443 1487 V N -0.859 119.102 119.914 0.078 0.000 2.295 1487 V HA -0.320 3.800 4.120 0.001 0.000 0.246 1487 V C 2.680 178.854 176.094 0.133 0.000 1.049 1487 V CA 2.127 64.479 62.300 0.086 0.000 1.024 1487 V CB -0.989 30.874 31.823 0.067 0.000 0.648 1487 V HN 0.720 nan 8.190 nan 0.000 0.447 1488 C N -1.142 118.233 119.300 0.124 0.000 2.425 1488 C HA -0.157 4.303 4.460 0.001 0.000 0.277 1488 C C 2.609 177.725 174.990 0.210 0.000 1.280 1488 C CA 0.996 60.114 59.018 0.166 0.000 1.744 1488 C CB -1.072 26.562 27.740 -0.176 0.000 1.989 1488 C HN 0.706 nan 8.230 nan 0.000 0.491 1489 Y N 2.768 123.110 120.300 0.069 0.000 2.181 1489 Y HA -0.212 4.338 4.550 0.001 0.000 0.288 1489 Y C 2.702 178.693 175.900 0.152 0.000 1.146 1489 Y CA 2.058 60.224 58.100 0.111 0.000 1.164 1489 Y CB -0.487 38.022 38.460 0.082 0.000 0.982 1489 Y HN 0.399 nan 8.280 nan 0.000 0.515 1490 S N -0.222 115.559 115.700 0.135 0.000 2.469 1490 S HA -0.067 4.404 4.470 0.001 0.000 0.238 1490 S C 1.764 176.364 174.600 -0.001 0.000 0.998 1490 S CA 0.675 58.908 58.200 0.056 0.000 0.957 1490 S CB -0.672 62.584 63.200 0.094 0.000 0.764 1490 S HN 0.474 nan 8.310 nan 0.000 0.514 1491 A N 0.449 123.288 122.820 0.032 0.000 2.345 1491 A HA 0.510 4.830 4.320 0.001 0.000 0.225 1491 A C 0.602 178.135 177.584 -0.085 0.000 1.243 1491 A CA -0.474 51.565 52.037 0.002 0.000 0.875 1491 A CB -0.281 18.760 19.000 0.068 0.000 0.929 1491 A HN 0.576 nan 8.150 nan 0.000 0.502 1492 I N 1.024 121.509 120.570 -0.141 0.000 2.441 1492 I HA 0.200 4.370 4.170 0.001 0.000 0.287 1492 I C -0.453 175.454 176.117 -0.348 0.000 1.049 1492 I CA 0.005 61.111 61.300 -0.323 0.000 1.381 1492 I CB 1.223 38.866 38.000 -0.595 0.000 1.409 1492 I HN 0.113 nan 8.210 nan 0.000 0.523 1493 I N 6.679 127.042 120.570 -0.344 0.000 2.307 1493 I HA 0.157 4.328 4.170 0.001 0.000 0.289 1493 I C -0.426 175.528 176.117 -0.272 0.000 1.021 1493 I CA -0.364 60.820 61.300 -0.194 0.000 1.224 1493 I CB 0.597 38.516 38.000 -0.136 0.000 1.376 1493 I HN 0.421 nan 8.210 nan 0.000 0.470 1494 F N 5.682 125.592 119.950 -0.067 0.000 2.659 1494 F HA 0.223 4.750 4.527 0.000 0.000 0.360 1494 F C 0.965 176.748 175.800 -0.028 0.000 1.218 1494 F CA 0.008 57.982 58.000 -0.044 0.000 1.317 1494 F CB -0.394 38.584 39.000 -0.037 0.000 1.697 1494 F HN 0.495 nan 8.300 nan 0.000 0.637 1495 E N -0.504 119.717 120.200 0.035 0.000 2.469 1495 E HA 0.524 4.874 4.350 0.001 0.000 0.246 1495 E C -0.436 176.173 176.600 0.016 0.000 0.969 1495 E CA -1.012 55.407 56.400 0.030 0.000 0.881 1495 E CB 1.333 31.031 29.700 -0.004 0.000 1.320 1495 E HN -0.015 nan 8.360 nan 0.000 0.421 1496 T N 2.916 117.476 114.554 0.010 0.000 2.892 1496 T HA 0.332 4.683 4.350 0.001 0.000 0.311 1496 T C -2.055 172.640 174.700 -0.009 0.000 1.033 1496 T CA -1.148 60.955 62.100 0.005 0.000 0.991 1496 T CB 0.930 69.809 68.868 0.017 0.000 0.981 1496 T HN 0.347 nan 8.240 nan 0.000 0.457 1497 P HA 0.486 nan 4.420 nan 0.000 0.282 1497 P C -0.444 176.821 177.300 -0.059 0.000 1.287 1497 P CA -0.769 62.312 63.100 -0.032 0.000 0.792 1497 P CB 1.018 32.697 31.700 -0.036 0.000 1.163 1498 L N 0.327 121.498 121.223 -0.086 0.000 2.439 1498 L HA 0.336 4.677 4.340 0.001 0.000 0.269 1498 L C 1.283 178.057 176.870 -0.161 0.000 1.179 1498 L CA -0.273 54.471 54.840 -0.160 0.000 0.828 1498 L CB 0.151 42.083 42.059 -0.212 0.000 1.106 1498 L HN 0.530 nan 8.230 nan 0.000 0.467 1499 R N 1.264 121.643 120.500 -0.201 0.000 2.855 1499 R HA 0.775 5.115 4.340 0.001 0.000 0.266 1499 R C -1.670 174.464 176.300 -0.276 0.000 1.034 1499 R CA -0.982 54.996 56.100 -0.202 0.000 0.944 1499 R CB 1.488 31.697 30.300 -0.151 0.000 1.219 1499 R HN 0.235 nan 8.270 nan 0.000 0.474 1500 V N 1.174 120.890 119.914 -0.330 0.000 2.427 1500 V HA 0.143 4.264 4.120 0.001 0.000 0.286 1500 V C -0.489 175.430 176.094 -0.292 0.000 1.034 1500 V CA -0.571 61.456 62.300 -0.455 0.000 0.893 1500 V CB 1.448 32.812 31.823 -0.766 0.000 0.982 1500 V HN 0.722 nan 8.190 nan 0.000 0.452 1501 D N 3.889 124.151 120.400 -0.230 0.000 2.453 1501 D HA 0.104 4.745 4.640 0.001 0.000 0.223 1501 D C 1.158 177.382 176.300 -0.127 0.000 1.183 1501 D CA -0.221 53.694 54.000 -0.142 0.000 0.933 1501 D CB 1.484 42.226 40.800 -0.096 0.000 1.038 1501 D HN 0.416 nan 8.370 nan 0.000 0.513 1502 V N 2.801 122.640 119.914 -0.125 0.000 2.688 1502 V HA -0.179 3.941 4.120 0.001 0.000 0.256 1502 V C 2.063 178.127 176.094 -0.051 0.000 1.084 1502 V CA 1.703 63.948 62.300 -0.091 0.000 1.103 1502 V CB -0.986 30.789 31.823 -0.079 0.000 0.688 1502 V HN 0.439 nan 8.190 nan 0.000 0.480 1503 A N 0.320 123.113 122.820 -0.046 0.000 1.930 1503 A HA -0.047 4.273 4.320 0.001 0.000 0.217 1503 A C 2.361 179.933 177.584 -0.019 0.000 1.175 1503 A CA 2.024 54.044 52.037 -0.028 0.000 0.627 1503 A CB -0.745 18.239 19.000 -0.027 0.000 0.815 1503 A HN 0.470 nan 8.150 nan 0.000 0.443 1504 V N 0.114 120.014 119.914 -0.023 0.000 2.307 1504 V HA -0.239 3.881 4.120 0.001 0.000 0.245 1504 V C 2.561 178.660 176.094 0.008 0.000 1.045 1504 V CA 1.855 64.150 62.300 -0.008 0.000 1.024 1504 V CB -0.740 31.078 31.823 -0.009 0.000 0.651 1504 V HN 0.570 nan 8.190 nan 0.000 0.449 1505 L N -0.105 121.125 121.223 0.012 0.000 1.989 1505 L HA -0.253 4.088 4.340 0.001 0.000 0.211 1505 L C 2.604 179.492 176.870 0.030 0.000 1.071 1505 L CA 2.247 57.111 54.840 0.040 0.000 0.749 1505 L CB -0.686 41.402 42.059 0.047 0.000 0.890 1505 L HN 0.318 nan 8.230 nan 0.000 0.431 1506 K N 0.383 120.791 120.400 0.013 0.000 2.044 1506 K HA -0.236 4.085 4.320 0.001 0.000 0.210 1506 K C 2.062 178.669 176.600 0.012 0.000 1.049 1506 K CA 1.657 57.950 56.287 0.011 0.000 0.927 1506 K CB -0.175 32.325 32.500 -0.000 0.000 0.713 1506 K HN 0.286 nan 8.250 nan 0.000 0.443 1507 A N 0.854 123.678 122.820 0.007 0.000 2.019 1507 A HA -0.102 4.218 4.320 0.001 0.000 0.219 1507 A C 1.780 179.365 177.584 0.001 0.000 1.164 1507 A CA 1.203 53.242 52.037 0.003 0.000 0.644 1507 A CB -0.241 18.758 19.000 -0.003 0.000 0.805 1507 A HN 0.226 nan 8.150 nan 0.000 0.449 1508 R N -0.916 119.590 120.500 0.009 0.000 2.334 1508 R HA 0.328 4.669 4.340 0.001 0.000 0.212 1508 R C 2.066 178.384 176.300 0.029 0.000 0.897 1508 R CA 0.774 56.876 56.100 0.005 0.000 1.056 1508 R CB -1.075 29.233 30.300 0.014 0.000 1.046 1508 R HN 0.468 nan 8.270 nan 0.000 0.513 1509 A N 1.765 124.609 122.820 0.040 0.000 1.915 1509 A HA -0.282 4.039 4.320 0.001 0.000 0.220 1509 A C 2.008 179.635 177.584 0.071 0.000 1.198 1509 A CA 1.966 54.035 52.037 0.053 0.000 0.647 1509 A CB -0.252 18.772 19.000 0.040 0.000 0.825 1509 A HN 0.087 nan 8.150 nan 0.000 0.456 1510 K N -0.561 119.887 120.400 0.080 0.000 2.097 1510 K HA 0.043 4.363 4.320 0.001 0.000 0.206 1510 K C 1.861 178.600 176.600 0.231 0.000 1.049 1510 K CA 0.937 57.308 56.287 0.139 0.000 0.933 1510 K CB -0.452 32.145 32.500 0.163 0.000 0.717 1510 K HN 0.537 nan 8.250 nan 0.000 0.442 1511 L N 0.156 121.454 121.223 0.125 0.000 2.017 1511 L HA -0.194 4.146 4.340 0.001 0.000 0.208 1511 L C 1.906 178.926 176.870 0.250 0.000 1.073 1511 L CA 1.438 56.326 54.840 0.080 0.000 0.745 1511 L CB -0.174 41.804 42.059 -0.135 0.000 0.894 1511 L HN 0.221 nan 8.230 nan 0.000 0.432 1512 L N -0.815 120.506 121.223 0.164 0.000 2.056 1512 L HA -0.240 4.101 4.340 0.001 0.000 0.207 1512 L C 2.676 179.635 176.870 0.148 0.000 1.078 1512 L CA 1.185 56.127 54.840 0.170 0.000 0.749 1512 L CB -0.508 41.616 42.059 0.108 0.000 0.901 1512 L HN 0.349 nan 8.230 nan 0.000 0.433 1513 Q N -0.206 119.655 119.800 0.102 0.000 2.152 1513 Q HA -0.254 4.087 4.340 0.001 0.000 0.206 1513 Q C 2.212 178.216 176.000 0.006 0.000 0.985 1513 Q CA 1.229 57.062 55.803 0.050 0.000 0.863 1513 Q CB -0.203 28.558 28.738 0.039 0.000 0.904 1513 Q HN 0.257 nan 8.270 nan 0.000 0.422 1514 K N 0.499 120.898 120.400 -0.002 0.000 2.044 1514 K HA -0.184 4.136 4.320 0.001 0.000 0.210 1514 K C 1.678 178.013 176.600 -0.441 0.000 1.049 1514 K CA 1.701 57.844 56.287 -0.240 0.000 0.927 1514 K CB -0.108 32.243 32.500 -0.250 0.000 0.713 1514 K HN 0.318 nan 8.250 nan 0.000 0.443 1515 Y N -0.464 119.898 120.300 0.104 0.000 2.476 1515 Y HA 0.081 4.631 4.550 0.001 0.000 0.283 1515 Y C 0.850 176.776 175.900 0.043 0.000 1.109 1515 Y CA -0.119 58.026 58.100 0.074 0.000 1.246 1515 Y CB 0.241 38.757 38.460 0.093 0.000 1.068 1515 Y HN -0.129 nan 8.280 nan 0.000 0.552 1516 L N 1.045 122.341 121.223 0.122 0.000 2.583 1516 L HA 0.095 4.435 4.340 0.001 0.000 0.239 1516 L C 1.068 177.946 176.870 0.013 0.000 1.347 1516 L CA -0.232 54.643 54.840 0.058 0.000 1.246 1516 L CB -0.832 41.249 42.059 0.037 0.000 1.496 1516 L HN 0.430 nan 8.230 nan 0.000 0.413 1517 C N -2.488 116.816 119.300 0.007 0.000 2.576 1517 C HA 0.368 4.829 4.460 0.001 0.000 0.267 1517 C C 0.610 175.592 174.990 -0.014 0.000 1.364 1517 C CA -0.245 58.762 59.018 -0.018 0.000 1.723 1517 C CB -1.614 26.105 27.740 -0.036 0.000 1.778 1517 C HN 0.728 nan 8.230 nan 0.000 0.572 1518 D N -2.028 118.366 120.400 -0.010 0.000 2.639 1518 D HA 0.150 4.791 4.640 0.001 0.000 0.271 1518 D C 0.419 176.704 176.300 -0.025 0.000 1.254 1518 D CA -0.665 53.327 54.000 -0.013 0.000 0.810 1518 D CB 0.528 41.325 40.800 -0.004 0.000 1.351 1518 D HN 0.074 nan 8.370 nan 0.000 0.427 1519 E N -0.728 119.456 120.200 -0.026 0.000 2.097 1519 E HA -0.295 4.055 4.350 0.001 0.000 0.196 1519 E C 1.418 177.991 176.600 -0.046 0.000 1.000 1519 E CA 1.563 57.939 56.400 -0.041 0.000 0.804 1519 E CB 0.126 29.813 29.700 -0.022 0.000 0.740 1519 E HN 0.413 nan 8.360 nan 0.000 0.454 1520 Q N 0.418 120.207 119.800 -0.018 0.000 2.030 1520 Q HA -0.205 4.135 4.340 0.001 0.000 0.204 1520 Q C 2.147 178.136 176.000 -0.019 0.000 0.986 1520 Q CA 1.572 57.371 55.803 -0.006 0.000 0.843 1520 Q CB -0.306 28.442 28.738 0.016 0.000 0.904 1520 Q HN 0.300 nan 8.270 nan 0.000 0.420 1521 K N 0.708 121.102 120.400 -0.010 0.000 2.097 1521 K HA -0.128 4.192 4.320 0.001 0.000 0.205 1521 K C 2.108 178.682 176.600 -0.043 0.000 1.050 1521 K CA 1.021 57.307 56.287 -0.001 0.000 0.938 1521 K CB -0.021 32.496 32.500 0.029 0.000 0.718 1521 K HN 0.279 nan 8.250 nan 0.000 0.442 1522 E N 1.072 121.224 120.200 -0.080 0.000 2.051 1522 E HA -0.182 4.169 4.350 0.001 0.000 0.192 1522 E C 2.057 178.522 176.600 -0.225 0.000 0.991 1522 E CA 0.820 57.131 56.400 -0.148 0.000 0.799 1522 E CB -0.058 29.533 29.700 -0.182 0.000 0.748 1522 E HN 0.217 nan 8.360 nan 0.000 0.449 1523 L N 0.808 121.896 121.223 -0.226 0.000 2.017 1523 L HA -0.268 4.073 4.340 0.001 0.000 0.208 1523 L C 2.551 179.141 176.870 -0.466 0.000 1.073 1523 L CA 1.420 56.045 54.840 -0.359 0.000 0.745 1523 L CB -0.137 41.759 42.059 -0.272 0.000 0.894 1523 L HN 0.186 nan 8.230 nan 0.000 0.432 1524 Q N -0.287 119.392 119.800 -0.201 0.000 2.135 1524 Q HA -0.184 4.157 4.340 0.001 0.000 0.204 1524 Q C 2.078 178.073 176.000 -0.008 0.000 0.981 1524 Q CA 2.077 57.871 55.803 -0.015 0.000 0.856 1524 Q CB -0.336 28.440 28.738 0.064 0.000 0.902 1524 Q HN 0.585 nan 8.270 nan 0.000 0.425 1525 A N -0.300 122.481 122.820 -0.065 0.000 1.898 1525 A HA -0.124 4.196 4.320 0.001 0.000 0.216 1525 A C 2.056 179.601 177.584 -0.066 0.000 1.181 1525 A CA 1.195 53.206 52.037 -0.043 0.000 0.620 1525 A CB -0.681 18.287 19.000 -0.054 0.000 0.819 1525 A HN 0.412 nan 8.150 nan 0.000 0.442 1526 L N -1.723 119.392 121.223 -0.181 0.000 2.046 1526 L HA -0.222 4.118 4.340 0.001 0.000 0.208 1526 L C 2.606 179.506 176.870 0.051 0.000 1.077 1526 L CA 1.345 56.064 54.840 -0.202 0.000 0.747 1526 L CB -0.761 41.008 42.059 -0.484 0.000 0.896 1526 L HN 0.410 nan 8.230 nan 0.000 0.432 1527 Y N 0.151 120.535 120.300 0.141 0.000 2.128 1527 Y HA -0.239 4.311 4.550 0.001 0.000 0.284 1527 Y C 2.689 178.655 175.900 0.111 0.000 1.154 1527 Y CA 0.727 58.944 58.100 0.194 0.000 1.149 1527 Y CB -1.234 37.319 38.460 0.154 0.000 0.976 1527 Y HN 0.128 nan 8.280 nan 0.000 0.505 1528 A N -0.003 122.951 122.820 0.223 0.000 1.883 1528 A HA -0.199 4.121 4.320 0.001 0.000 0.217 1528 A C 2.307 179.924 177.584 0.055 0.000 1.186 1528 A CA 1.787 53.892 52.037 0.115 0.000 0.624 1528 A CB -1.233 17.809 19.000 0.071 0.000 0.822 1528 A HN 0.412 nan 8.150 nan 0.000 0.444 1529 L N -0.154 121.076 121.223 0.011 0.000 2.042 1529 L HA -0.227 4.113 4.340 0.001 0.000 0.210 1529 L C 2.474 179.309 176.870 -0.059 0.000 1.076 1529 L CA 2.769 57.549 54.840 -0.099 0.000 0.749 1529 L CB -0.774 41.202 42.059 -0.139 0.000 0.893 1529 L HN 0.620 nan 8.230 nan 0.000 0.432 1530 Q N -0.705 119.142 119.800 0.078 0.000 2.050 1530 Q HA -0.218 4.122 4.340 0.001 0.000 0.202 1530 Q C 2.173 178.236 176.000 0.104 0.000 0.980 1530 Q CA 1.916 57.806 55.803 0.145 0.000 0.840 1530 Q CB -0.277 28.690 28.738 0.383 0.000 0.898 1530 Q HN 0.670 nan 8.270 nan 0.000 0.424 1531 A N 1.078 123.965 122.820 0.111 0.000 1.978 1531 A HA -0.182 4.139 4.320 0.001 0.000 0.220 1531 A C 2.039 179.649 177.584 0.042 0.000 1.170 1531 A CA 1.095 53.177 52.037 0.075 0.000 0.636 1531 A CB -0.767 18.277 19.000 0.072 0.000 0.810 1531 A HN 0.553 nan 8.150 nan 0.000 0.448 1532 L N -0.230 121.003 121.223 0.016 0.000 1.976 1532 L HA -0.156 4.185 4.340 0.001 0.000 0.209 1532 L C 2.461 179.333 176.870 0.003 0.000 1.071 1532 L CA 1.854 56.696 54.840 0.003 0.000 0.746 1532 L CB -0.395 41.637 42.059 -0.045 0.000 0.890 1532 L HN 0.266 nan 8.230 nan 0.000 0.432 1533 V N -0.543 119.349 119.914 -0.036 0.000 2.469 1533 V HA -0.272 3.848 4.120 0.001 0.000 0.251 1533 V C 2.498 178.600 176.094 0.013 0.000 1.064 1533 V CA 1.408 63.696 62.300 -0.021 0.000 1.066 1533 V CB -0.263 31.529 31.823 -0.052 0.000 0.667 1533 V HN 0.297 nan 8.190 nan 0.000 0.461 1534 V N 0.942 120.873 119.914 0.027 0.000 2.295 1534 V HA -0.262 3.858 4.120 0.001 0.000 0.246 1534 V C 2.822 178.934 176.094 0.031 0.000 1.049 1534 V CA 2.596 64.917 62.300 0.036 0.000 1.024 1534 V CB -1.002 30.850 31.823 0.049 0.000 0.648 1534 V HN 0.852 nan 8.190 nan 0.000 0.447 1535 T N -1.715 112.859 114.554 0.032 0.000 2.977 1535 T HA -0.094 4.257 4.350 0.001 0.000 0.271 1535 T C 1.443 176.152 174.700 0.014 0.000 1.105 1535 T CA 1.136 63.252 62.100 0.027 0.000 1.116 1535 T CB -0.435 68.452 68.868 0.032 0.000 0.878 1535 T HN 0.423 nan 8.240 nan 0.000 0.509 1536 L N 0.538 121.778 121.223 0.030 0.000 2.627 1536 L HA 0.304 4.644 4.340 0.001 0.000 0.232 1536 L C 0.374 177.251 176.870 0.012 0.000 1.150 1536 L CA 0.073 54.934 54.840 0.034 0.000 0.917 1536 L CB -0.738 41.347 42.059 0.043 0.000 1.104 1536 L HN 0.349 nan 8.230 nan 0.000 0.445 1537 E N 0.643 120.848 120.200 0.008 0.000 2.257 1537 E HA -0.212 4.138 4.350 0.001 0.000 0.217 1537 E C -0.408 176.197 176.600 0.008 0.000 1.248 1537 E CA -0.094 56.311 56.400 0.008 0.000 0.691 1537 E CB -0.927 28.774 29.700 0.002 0.000 1.185 1537 E HN 0.401 nan 8.360 nan 0.000 0.377 1538 Q N -2.188 117.620 119.800 0.012 0.000 2.369 1538 Q HA -0.206 4.134 4.340 0.001 0.000 0.365 1538 Q C -1.767 174.234 176.000 0.001 0.000 1.305 1538 Q CA 1.068 56.877 55.803 0.009 0.000 1.129 1538 Q CB -1.026 27.721 28.738 0.015 0.000 1.338 1538 Q HN 0.447 nan 8.270 nan 0.000 0.370 1539 P HA 0.046 nan 4.420 nan 0.000 0.270 1539 P C -2.280 175.010 177.300 -0.017 0.000 1.227 1539 P CA -0.839 62.254 63.100 -0.012 0.000 0.788 1539 P CB -0.287 31.401 31.700 -0.020 0.000 0.926 1540 P HA -0.051 nan 4.420 nan 0.000 0.262 1540 P C 0.136 177.417 177.300 -0.032 0.000 1.199 1540 P CA 0.321 63.408 63.100 -0.022 0.000 0.763 1540 P CB -0.632 31.056 31.700 -0.020 0.000 0.790 1541 N N 1.122 119.802 118.700 -0.034 0.000 2.693 1541 N HA -0.250 4.490 4.740 0.001 0.000 0.250 1541 N C 0.310 175.780 175.510 -0.067 0.000 1.033 1541 N CA 0.959 53.978 53.050 -0.052 0.000 0.747 1541 N CB -2.124 36.337 38.487 -0.044 0.000 0.964 1541 N HN 0.325 nan 8.380 nan 0.000 0.540 1542 L N -1.152 120.039 121.223 -0.054 0.000 2.131 1542 L HA 0.267 4.607 4.340 0.001 0.000 0.206 1542 L C 2.008 178.885 176.870 0.011 0.000 1.087 1542 L CA 1.188 56.010 54.840 -0.030 0.000 0.767 1542 L CB -0.584 41.480 42.059 0.008 0.000 0.917 1542 L HN 0.475 nan 8.230 nan 0.000 0.441 1543 L N -0.098 121.073 121.223 -0.086 0.000 2.042 1543 L HA -0.190 4.151 4.340 0.001 0.000 0.210 1543 L C 2.719 179.265 176.870 -0.539 0.000 1.076 1543 L CA 1.763 56.422 54.840 -0.302 0.000 0.749 1543 L CB -0.771 41.014 42.059 -0.457 0.000 0.893 1543 L HN 0.323 nan 8.230 nan 0.000 0.432 1544 R N -0.590 119.687 120.500 -0.372 0.000 2.120 1544 R HA -0.145 4.195 4.340 0.001 0.000 0.234 1544 R C 2.087 178.335 176.300 -0.086 0.000 1.123 1544 R CA 1.887 57.841 56.100 -0.244 0.000 0.975 1544 R CB -0.306 29.926 30.300 -0.113 0.000 0.866 1544 R HN 0.449 nan 8.270 nan 0.000 0.446 1545 M N -0.558 118.986 119.600 -0.092 0.000 2.175 1545 M HA -0.118 4.362 4.480 0.001 0.000 0.264 1545 M C 1.845 178.091 176.300 -0.089 0.000 1.063 1545 M CA 1.534 56.769 55.300 -0.109 0.000 1.119 1545 M CB -0.259 32.226 32.600 -0.191 0.000 1.377 1545 M HN 0.034 nan 8.290 nan 0.000 0.415 1546 F N -0.370 119.545 119.950 -0.059 0.000 2.163 1546 F HA -0.158 4.370 4.527 0.001 0.000 0.297 1546 F C 2.049 177.981 175.800 0.220 0.000 1.094 1546 F CA 1.281 59.304 58.000 0.039 0.000 1.290 1546 F CB -0.458 38.546 39.000 0.007 0.000 1.017 1546 F HN -0.013 nan 8.300 nan 0.000 0.483 1547 F N 0.948 121.007 119.950 0.181 0.000 2.091 1547 F HA -0.255 4.272 4.527 0.000 0.000 0.299 1547 F C 2.387 178.235 175.800 0.079 0.000 1.103 1547 F CA 1.292 59.364 58.000 0.119 0.000 1.228 1547 F CB -1.386 37.556 39.000 -0.097 0.000 0.984 1547 F HN 0.036 nan 8.300 nan 0.000 0.477 1548 D N 0.053 120.584 120.400 0.218 0.000 2.092 1548 D HA -0.174 4.466 4.640 0.001 0.000 0.193 1548 D C 2.369 178.767 176.300 0.163 0.000 0.994 1548 D CA 1.680 55.765 54.000 0.141 0.000 0.828 1548 D CB -0.671 40.167 40.800 0.063 0.000 0.963 1548 D HN 0.227 nan 8.370 nan 0.000 0.450 1549 A N 0.938 123.830 122.820 0.120 0.000 1.902 1549 A HA -0.137 4.183 4.320 0.001 0.000 0.217 1549 A C 2.493 180.164 177.584 0.145 0.000 1.181 1549 A CA 1.010 53.098 52.037 0.086 0.000 0.623 1549 A CB -0.859 18.152 19.000 0.019 0.000 0.818 1549 A HN 0.192 nan 8.150 nan 0.000 0.443 1550 L N -2.156 119.212 121.223 0.243 0.000 2.046 1550 L HA -0.201 4.139 4.340 0.001 0.000 0.208 1550 L C 2.624 179.672 176.870 0.296 0.000 1.077 1550 L CA 1.791 56.789 54.840 0.263 0.000 0.747 1550 L CB -0.624 41.633 42.059 0.331 0.000 0.896 1550 L HN 0.595 nan 8.230 nan 0.000 0.432 1551 Y N 1.118 121.562 120.300 0.241 0.000 2.200 1551 Y HA -0.248 4.302 4.550 0.001 0.000 0.290 1551 Y C 2.297 178.262 175.900 0.108 0.000 1.137 1551 Y CA 1.476 59.708 58.100 0.219 0.000 1.163 1551 Y CB -0.332 38.175 38.460 0.079 0.000 0.988 1551 Y HN 0.208 nan 8.280 nan 0.000 0.518 1552 D N 0.089 120.485 120.400 -0.007 0.000 2.144 1552 D HA -0.148 4.492 4.640 0.001 0.000 0.199 1552 D C 1.581 177.820 176.300 -0.102 0.000 0.984 1552 D CA 1.407 55.336 54.000 -0.118 0.000 0.834 1552 D CB -0.107 40.683 40.800 -0.018 0.000 0.955 1552 D HN 0.472 nan 8.370 nan 0.000 0.465 1553 E N 0.473 120.658 120.200 -0.025 0.000 2.489 1553 E HA -0.047 4.304 4.350 0.001 0.000 0.193 1553 E C 0.139 176.726 176.600 -0.021 0.000 1.057 1553 E CA 0.033 56.425 56.400 -0.013 0.000 0.866 1553 E CB 0.192 29.908 29.700 0.026 0.000 0.916 1553 E HN 0.202 nan 8.360 nan 0.000 0.500 1554 D N -0.054 120.315 120.400 -0.051 0.000 2.981 1554 D HA -0.151 4.490 4.640 0.001 0.000 0.223 1554 D C 0.877 177.184 176.300 0.011 0.000 1.151 1554 D CA 0.460 54.436 54.000 -0.039 0.000 0.827 1554 D CB -0.913 39.859 40.800 -0.046 0.000 1.101 1554 D HN 0.084 nan 8.370 nan 0.000 0.426 1555 V N -0.696 119.242 119.914 0.041 0.000 2.446 1555 V HA -0.008 4.112 4.120 0.001 0.000 0.244 1555 V C 1.210 177.304 176.094 0.000 0.000 1.039 1555 V CA 0.955 63.277 62.300 0.036 0.000 1.045 1555 V CB 0.597 32.457 31.823 0.060 0.000 0.681 1555 V HN 0.124 nan 8.190 nan 0.000 0.459 1556 V N 1.202 121.123 119.914 0.011 0.000 2.444 1556 V HA 0.444 4.564 4.120 0.001 0.000 0.294 1556 V C -0.369 175.728 176.094 0.004 0.000 1.022 1556 V CA -1.014 61.186 62.300 -0.166 0.000 0.850 1556 V CB 1.754 33.263 31.823 -0.522 0.000 0.992 1556 V HN 0.244 nan 8.190 nan 0.000 0.426 1557 K N 2.327 122.712 120.400 -0.026 0.000 2.090 1557 K HA 0.404 4.724 4.320 0.001 0.000 0.250 1557 K C 1.246 177.968 176.600 0.203 0.000 1.004 1557 K CA -0.426 55.955 56.287 0.156 0.000 0.919 1557 K CB 0.638 33.187 32.500 0.081 0.000 1.045 1557 K HN 0.629 nan 8.250 nan 0.000 0.471 1558 E N 0.655 121.050 120.200 0.325 0.000 2.086 1558 E HA -0.264 4.086 4.350 0.001 0.000 0.200 1558 E C 0.865 177.592 176.600 0.211 0.000 1.012 1558 E CA 1.794 58.360 56.400 0.276 0.000 0.812 1558 E CB -0.010 29.796 29.700 0.177 0.000 0.743 1558 E HN 0.480 nan 8.360 nan 0.000 0.453 1559 D N 0.291 120.762 120.400 0.118 0.000 2.117 1559 D HA -0.130 4.510 4.640 0.001 0.000 0.197 1559 D C 1.856 178.221 176.300 0.110 0.000 0.987 1559 D CA 1.359 55.416 54.000 0.095 0.000 0.829 1559 D CB -0.329 40.484 40.800 0.021 0.000 0.961 1559 D HN 0.202 nan 8.370 nan 0.000 0.460 1560 A N 0.007 122.817 122.820 -0.018 0.000 1.933 1560 A HA -0.154 4.166 4.320 0.001 0.000 0.218 1560 A C 1.971 179.488 177.584 -0.112 0.000 1.175 1560 A CA 0.937 52.897 52.037 -0.128 0.000 0.628 1560 A CB -0.866 17.949 19.000 -0.309 0.000 0.814 1560 A HN 0.128 nan 8.150 nan 0.000 0.444 1561 F N -1.650 118.286 119.950 -0.024 0.000 2.146 1561 F HA -0.111 4.417 4.527 0.001 0.000 0.298 1561 F C 2.184 178.048 175.800 0.106 0.000 1.096 1561 F CA 1.210 59.173 58.000 -0.062 0.000 1.275 1561 F CB -1.052 37.839 39.000 -0.182 0.000 1.008 1561 F HN 0.444 nan 8.300 nan 0.000 0.480 1562 Y N 0.591 121.007 120.300 0.194 0.000 2.097 1562 Y HA -0.299 4.251 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 2.075 60.254 58.100 0.133 0.000 1.136 1562 Y CB -0.806 37.702 38.460 0.079 0.000 0.975 1562 Y HN -0.068 nan 8.280 nan 0.000 0.498 1563 S N -0.338 115.549 115.700 0.311 0.000 2.383 1563 S HA -0.254 4.217 4.470 0.001 0.000 0.229 1563 S C 1.523 176.183 174.600 0.100 0.000 1.030 1563 S CA 1.320 59.632 58.200 0.187 0.000 1.002 1563 S CB -0.898 62.410 63.200 0.181 0.000 0.829 1563 S HN 0.780 nan 8.310 nan 0.000 0.467 1564 W N 2.848 124.125 121.300 -0.038 0.000 2.363 1564 W HA -0.098 4.562 4.660 0.001 0.000 0.296 1564 W C 1.800 178.343 176.519 0.039 0.000 1.212 1564 W CA 1.111 58.449 57.345 -0.012 0.000 1.260 1564 W CB -0.201 29.219 29.460 -0.067 0.000 1.131 1564 W HN 0.132 nan 8.180 nan 0.000 0.530 1565 E N 0.586 120.791 120.200 0.009 0.000 2.273 1565 E HA -0.133 4.217 4.350 0.001 0.000 0.198 1565 E C 1.232 177.639 176.600 -0.322 0.000 1.002 1565 E CA 1.170 57.447 56.400 -0.205 0.000 0.828 1565 E CB -0.677 28.942 29.700 -0.135 0.000 0.747 1565 E HN 0.173 nan 8.360 nan 0.000 0.491 1566 S N 0.000 115.543 115.700 -0.261 0.000 2.498 1566 S HA 0.000 4.470 4.470 0.001 0.000 0.327 1566 S CA 0.000 58.081 58.200 -0.197 0.000 1.107 1566 S CB 0.000 63.133 63.200 -0.112 0.000 0.593 1566 S HN 0.000 nan 8.310 nan 0.000 0.517