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 3f7q_1_B DATA FIRST_RESID 1126 DATA SEQUENCE DLGAPQNPNA KAAGSRKIHF NWLPPSGKPM GYRVKYWIQG DSESEAHLLD DATA SEQUENCE SKVPSVELTN LYPYCDYEMK VCAYGAQGEG PYSSLVSCRT HQEVPSEPGR DATA SEQUENCE LAFNVVSSTV TQLSWAEPAE TNGEITAYEV CYGLVNDDNR PIGPMKKVLV DATA SEQUENCE DNPKNRMLLI ENLRESQPYR YTVKARNGAG WGPEREAIIN LATQPKRPMS DATA SEQUENCE IPIIPDIPIV DAQS 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 1126 D HA 0.000 4.644 4.640 0.007 0.000 0.175 1126 D C 0.000 176.302 176.300 0.003 0.000 2.045 1126 D CA 0.000 54.003 54.000 0.005 0.000 0.868 1126 D CB 0.000 40.803 40.800 0.005 0.000 0.688 1127 L N 2.334 123.557 121.223 -0.000 0.000 2.265 1127 L HA 0.250 4.587 4.340 -0.004 0.000 0.288 1127 L C -0.309 176.560 176.870 -0.002 0.000 1.058 1127 L CA -0.508 54.328 54.840 -0.006 0.000 0.809 1127 L CB 0.979 43.026 42.059 -0.019 0.000 1.179 1127 L HN -0.366 7.864 8.230 -0.000 0.000 0.429 1128 G N 3.610 112.414 108.800 0.006 0.000 2.588 1128 G HA2 0.115 4.081 3.960 0.010 0.000 0.281 1128 G HA3 0.115 4.085 3.960 0.017 0.000 0.281 1128 G C -1.753 173.150 174.900 0.006 0.000 1.236 1128 G CA -1.166 43.940 45.100 0.011 0.000 0.969 1128 G HN 0.029 8.325 8.290 0.009 0.000 0.504 1129 A N -0.832 121.994 122.820 0.009 0.000 2.388 1129 A HA 0.337 4.777 4.320 -0.032 -0.139 0.257 1129 A C -1.767 175.821 177.584 0.007 0.000 1.095 1129 A CA -2.214 49.821 52.037 -0.004 0.000 0.791 1129 A CB -0.101 18.911 19.000 0.019 0.000 1.029 1129 A HN 0.060 8.220 8.150 0.017 0.000 0.489 1130 P HA -0.105 4.472 4.420 0.066 -0.117 0.266 1130 P C -1.416 175.899 177.300 0.024 0.000 1.193 1130 P CA 0.150 63.241 63.100 -0.014 0.000 0.770 1130 P CB 0.582 32.107 31.700 -0.292 0.000 0.836 1131 Q N 2.017 121.861 119.800 0.073 0.000 2.297 1131 Q HA 0.216 4.592 4.340 0.059 0.000 0.268 1131 Q C -0.908 175.141 176.000 0.083 0.000 1.045 1131 Q CA -1.071 54.772 55.803 0.067 0.000 0.861 1131 Q CB 3.740 32.510 28.738 0.052 0.000 1.344 1131 Q HN -0.097 8.232 8.270 0.098 0.000 0.452 1132 N N -2.177 116.567 118.700 0.074 0.000 2.705 1132 N HA -0.263 4.523 4.740 0.076 0.000 0.255 1132 N C -1.985 173.592 175.510 0.112 0.000 1.008 1132 N CA 0.093 53.189 53.050 0.077 0.000 0.742 1132 N CB -1.439 37.077 38.487 0.049 0.000 0.906 1132 N HN 0.569 8.989 8.380 0.067 0.000 0.541 1133 P HA 0.038 4.766 4.420 0.212 -0.180 0.268 1133 P C -1.103 176.371 177.300 0.290 0.000 1.205 1133 P CA -0.037 63.214 63.100 0.251 0.000 0.771 1133 P CB 0.519 32.423 31.700 0.339 0.000 0.858 1134 N N 1.603 120.509 118.700 0.343 0.000 2.710 1134 N HA 0.178 5.071 4.740 0.254 0.000 0.257 1134 N C -2.407 173.324 175.510 0.368 0.000 1.327 1134 N CA -0.332 52.886 53.050 0.279 0.000 0.861 1134 N CB 3.271 41.841 38.487 0.138 0.000 1.532 1134 N HN 0.386 8.960 8.380 0.323 0.000 0.499 1135 A N -0.846 122.109 122.820 0.224 0.000 2.572 1135 A HA 0.963 5.623 4.320 0.249 -0.191 0.295 1135 A C -1.806 175.820 177.584 0.069 0.000 1.072 1135 A CA -1.030 51.115 52.037 0.181 0.000 0.691 1135 A CB 3.575 22.616 19.000 0.068 0.000 1.291 1135 A HN 0.200 8.439 8.150 0.148 0.000 0.404 1136 K N 0.458 120.883 120.400 0.041 0.000 2.532 1136 K HA 0.407 4.717 4.320 -0.018 0.000 0.265 1136 K C -1.760 174.775 176.600 -0.108 0.000 0.948 1136 K CA -1.385 54.894 56.287 -0.014 0.000 0.842 1136 K CB 3.363 35.873 32.500 0.016 0.000 1.392 1136 K HN 0.266 8.554 8.250 0.064 0.000 0.436 1137 A N 1.843 124.553 122.820 -0.184 0.000 2.511 1137 A HA -0.026 4.086 4.320 -0.347 0.000 0.242 1137 A C -0.510 176.823 177.584 -0.417 0.000 1.069 1137 A CA 1.042 52.846 52.037 -0.388 0.000 0.763 1137 A CB 0.062 18.648 19.000 -0.689 0.000 1.001 1137 A HN 0.569 8.636 8.150 -0.139 0.000 0.498 1138 A N 2.202 124.735 122.820 -0.478 0.000 2.430 1138 A HA 0.139 4.226 4.320 -0.389 0.000 0.243 1138 A C -1.256 176.151 177.584 -0.296 0.000 1.254 1138 A CA -0.633 51.108 52.037 -0.494 0.000 0.914 1138 A CB 0.973 19.365 19.000 -1.014 0.000 0.998 1138 A HN 0.305 8.175 8.150 -0.466 0.000 0.515 1139 G N -2.190 106.409 108.800 -0.334 0.000 2.350 1139 G HA2 -0.094 3.939 3.960 0.123 0.000 0.276 1139 G HA3 -0.094 3.824 3.960 -0.069 0.000 0.276 1139 G C -0.981 173.837 174.900 -0.137 0.000 1.313 1139 G CA -0.038 45.002 45.100 -0.099 0.000 0.903 1139 G HN -0.823 7.073 8.290 -0.547 0.066 0.490 1140 S N -0.793 114.914 115.700 0.012 0.000 2.501 1140 S HA -0.104 4.661 4.470 0.080 -0.247 0.220 1140 S C 0.983 175.589 174.600 0.009 0.000 0.997 1140 S CA 1.504 59.734 58.200 0.051 0.000 0.919 1140 S CB 0.706 63.961 63.200 0.091 0.000 0.778 1140 S HN 0.404 8.735 8.310 0.036 0.000 0.523 1141 R N -1.925 118.547 120.500 -0.047 0.000 2.549 1141 R HA 0.158 4.594 4.340 -0.049 -0.126 0.344 1141 R C -1.377 174.839 176.300 -0.140 0.000 0.979 1141 R CA -0.138 55.920 56.100 -0.070 0.000 1.140 1141 R CB 1.507 31.775 30.300 -0.053 0.000 1.377 1141 R HN 0.070 8.269 8.270 -0.061 0.035 0.541 1142 K N -1.225 119.065 120.400 -0.183 0.000 2.502 1142 K HA 0.912 5.307 4.320 -0.232 -0.215 0.257 1142 K C -1.681 174.738 176.600 -0.302 0.000 0.938 1142 K CA -1.258 54.890 56.287 -0.230 0.000 0.819 1142 K CB 4.495 36.879 32.500 -0.193 0.000 1.333 1142 K HN -0.609 7.531 8.250 -0.184 0.000 0.434 1143 I N 0.855 121.252 120.570 -0.288 0.000 2.582 1143 I HA 0.336 4.443 4.170 -0.291 -0.111 0.292 1143 I C -1.738 174.342 176.117 -0.062 0.000 1.066 1143 I CA -1.010 60.139 61.300 -0.251 0.000 1.053 1143 I CB 4.589 42.423 38.000 -0.278 0.000 1.241 1143 I HN 0.079 8.129 8.210 -0.266 0.000 0.421 1144 H N 5.444 124.470 119.070 -0.073 0.000 2.519 1144 H HA 0.542 5.248 4.556 -0.020 -0.162 0.316 1144 H C -1.334 174.049 175.328 0.092 0.000 1.065 1144 H CA -2.115 53.923 56.048 -0.016 0.000 1.264 1144 H CB 1.938 31.677 29.762 -0.040 0.000 1.413 1144 H HN 0.436 8.678 8.280 -0.063 0.000 0.465 1145 F N 6.993 126.975 119.950 0.055 0.000 2.493 1145 F HA 0.732 5.464 4.527 0.076 -0.160 0.329 1145 F C -2.633 173.193 175.800 0.045 0.000 1.126 1145 F CA -3.323 54.732 58.000 0.091 0.000 0.937 1145 F CB 3.447 42.533 39.000 0.144 0.000 1.146 1145 F HN 0.289 8.756 8.300 0.278 0.000 0.442 1146 N N 4.631 123.227 118.700 -0.174 0.000 2.647 1146 N HA 0.525 4.686 4.740 -1.130 -0.099 0.266 1146 N C -2.621 172.697 175.510 -0.321 0.000 1.373 1146 N CA -0.663 52.041 53.050 -0.577 0.000 0.807 1146 N CB 3.696 41.911 38.487 -0.454 0.000 1.513 1146 N HN 0.451 8.872 8.380 0.068 0.000 0.505 1147 W N -5.912 115.132 121.300 -0.428 0.000 2.989 1147 W HA 0.489 4.999 4.660 -0.251 0.000 0.344 1147 W C -2.524 173.827 176.519 -0.281 0.000 1.233 1147 W CA -0.706 56.430 57.345 -0.348 0.000 1.187 1147 W CB 1.807 30.999 29.460 -0.447 0.000 1.443 1147 W HN -0.410 7.075 8.180 -1.159 0.000 0.573 1148 L N 0.796 122.049 121.223 0.051 0.000 2.312 1148 L HA 0.479 4.763 4.340 -0.092 0.000 0.281 1148 L C -1.023 175.919 176.870 0.119 0.000 1.070 1148 L CA -2.510 52.331 54.840 0.003 0.000 0.805 1148 L CB 0.394 42.462 42.059 0.015 0.000 1.174 1148 L HN 0.485 8.788 8.230 0.122 0.000 0.434 1149 P HA 0.084 4.703 4.420 0.331 0.000 0.266 1149 P C -2.108 175.277 177.300 0.143 0.000 1.195 1149 P CA -1.280 61.940 63.100 0.200 0.000 0.768 1149 P CB -0.540 31.262 31.700 0.170 0.000 0.838 1150 P HA 0.019 4.480 4.420 0.069 0.000 0.272 1150 P C -0.305 177.030 177.300 0.059 0.000 1.230 1150 P CA -0.484 62.667 63.100 0.085 0.000 0.788 1150 P CB 0.774 32.517 31.700 0.072 0.000 0.949 1151 S N 0.467 116.190 115.700 0.037 0.000 2.573 1151 S HA -0.124 4.361 4.470 0.025 0.000 0.277 1151 S C 0.696 175.305 174.600 0.016 0.000 1.346 1151 S CA 1.043 59.257 58.200 0.024 0.000 1.034 1151 S CB 0.523 63.733 63.200 0.018 0.000 0.879 1151 S HN 0.080 8.410 8.310 0.034 0.000 0.528 1152 G N 1.777 110.582 108.800 0.009 0.000 2.416 1152 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.203 1152 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.203 1152 G C -1.639 173.257 174.900 -0.007 0.000 1.227 1152 G CA -0.428 44.672 45.100 0.000 0.000 1.041 1152 G HN 0.139 8.434 8.290 0.010 0.000 0.546 1153 K N 2.372 122.759 120.400 -0.020 0.000 2.877 1153 K HA 0.346 4.649 4.320 -0.028 0.000 0.176 1153 K C -2.257 174.301 176.600 -0.069 0.000 1.075 1153 K CA -3.150 53.117 56.287 -0.032 0.000 0.939 1153 K CB 0.823 33.310 32.500 -0.022 0.000 1.237 1153 K HN 0.078 8.315 8.250 -0.022 0.000 0.607 1154 P HA -0.016 4.371 4.420 -0.245 -0.114 0.268 1154 P C -0.620 176.508 177.300 -0.287 0.000 1.204 1154 P CA 0.221 63.172 63.100 -0.247 0.000 0.768 1154 P CB 0.787 32.298 31.700 -0.316 0.000 0.842 1155 M N 0.928 120.319 119.600 -0.348 0.000 2.441 1155 M HA 0.233 4.618 4.480 -0.159 0.000 0.244 1155 M C 0.038 176.068 176.300 -0.451 0.000 1.122 1155 M CA -0.875 54.279 55.300 -0.243 0.000 1.041 1155 M CB 0.526 33.124 32.600 -0.002 0.000 1.438 1155 M HN 0.715 8.783 8.290 -0.371 0.000 0.484 1156 G N -3.820 104.332 108.800 -1.081 0.000 2.317 1156 G HA2 0.164 3.658 3.960 -0.776 0.000 0.293 1156 G HA3 0.164 3.547 3.960 -0.963 0.000 0.293 1156 G C -3.152 170.672 174.900 -1.793 0.000 1.287 1156 G CA 0.578 44.946 45.100 -1.220 0.000 0.850 1156 G HN -0.862 6.649 8.290 -1.224 0.044 0.515 1157 Y N -3.115 116.948 120.300 -0.396 0.000 2.524 1157 Y HA 0.713 5.261 4.550 -0.271 -0.161 0.347 1157 Y C -1.756 174.235 175.900 0.152 0.000 1.005 1157 Y CA -1.487 56.528 58.100 -0.142 0.000 1.025 1157 Y CB 5.269 43.739 38.460 0.016 0.000 1.275 1157 Y HN 0.362 8.548 8.280 -0.156 0.000 0.460 1158 R N 1.876 122.536 120.500 0.266 0.000 2.393 1158 R HA 0.463 5.133 4.340 0.322 -0.137 0.315 1158 R C -1.815 174.631 176.300 0.244 0.000 0.952 1158 R CA -1.490 54.779 56.100 0.282 0.000 0.842 1158 R CB 2.971 33.438 30.300 0.277 0.000 1.163 1158 R HN 0.377 8.741 8.270 0.156 0.000 0.450 1159 V N 8.244 128.340 119.914 0.303 0.000 2.427 1159 V HA 0.473 4.962 4.120 0.339 -0.166 0.286 1159 V C -1.169 175.196 176.094 0.451 0.000 1.034 1159 V CA -0.894 61.627 62.300 0.368 0.000 0.893 1159 V CB 1.801 33.868 31.823 0.407 0.000 0.982 1159 V HN 0.742 9.124 8.190 0.321 0.000 0.452 1160 K N 6.692 127.369 120.400 0.462 0.000 2.206 1160 K HA 0.975 5.739 4.320 0.367 -0.223 0.264 1160 K C -0.945 175.937 176.600 0.469 0.000 0.967 1160 K CA -1.725 54.814 56.287 0.420 0.000 0.844 1160 K CB 2.140 34.842 32.500 0.336 0.000 1.099 1160 K HN 0.185 8.721 8.250 0.478 0.000 0.441 1161 Y N 0.051 120.556 120.300 0.343 0.000 2.562 1161 Y HA 0.961 5.583 4.550 -0.162 -0.169 0.345 1161 Y C -2.866 173.323 175.900 0.482 0.000 1.045 1161 Y CA -2.785 55.414 58.100 0.164 0.000 1.028 1161 Y CB 3.582 42.057 38.460 0.025 0.000 1.297 1161 Y HN 0.222 8.642 8.280 0.233 0.000 0.463 1162 W N -4.113 117.370 121.300 0.305 0.000 3.146 1162 W HA 0.515 5.320 4.660 0.242 0.000 0.319 1162 W C -2.423 174.201 176.519 0.175 0.000 1.258 1162 W CA -1.419 56.047 57.345 0.202 0.000 1.189 1162 W CB 2.240 31.713 29.460 0.022 0.000 1.412 1162 W HN 0.269 8.402 8.180 -0.077 0.000 0.567 1163 I N 1.270 121.960 120.570 0.200 0.000 2.618 1163 I HA -0.194 3.699 4.170 -0.662 -0.120 0.284 1163 I C 0.222 176.331 176.117 -0.013 0.000 1.146 1163 I CA 0.495 61.667 61.300 -0.213 0.000 1.425 1163 I CB 0.200 38.091 38.000 -0.182 0.000 1.383 1163 I HN 0.807 9.195 8.210 0.296 0.000 0.562 1164 Q N 9.350 129.056 119.800 -0.156 0.000 2.269 1164 Q HA -0.421 3.957 4.340 0.064 0.000 0.300 1164 Q C 0.521 176.534 176.000 0.022 0.000 1.070 1164 Q CA 2.151 57.937 55.803 -0.028 0.000 0.957 1164 Q CB 0.285 28.963 28.738 -0.101 0.000 1.131 1164 Q HN -0.037 8.054 8.270 -0.299 0.000 0.377 1165 G N 6.423 115.286 108.800 0.104 0.000 2.254 1165 G HA2 -0.278 3.704 3.960 0.037 0.000 0.225 1165 G HA3 -0.278 3.685 3.960 0.006 0.000 0.225 1165 G C -0.236 174.686 174.900 0.037 0.000 1.003 1165 G CA -0.236 44.891 45.100 0.044 0.000 0.622 1165 G HN 0.482 8.880 8.290 0.180 0.000 0.507 1166 D N 2.230 122.683 120.400 0.088 0.000 2.358 1166 D HA 0.139 4.769 4.640 -0.018 0.000 0.244 1166 D C -0.392 175.843 176.300 -0.108 0.000 1.163 1166 D CA -0.323 53.688 54.000 0.019 0.000 0.945 1166 D CB 1.075 41.919 40.800 0.074 0.000 1.152 1166 D HN -0.227 8.177 8.370 0.163 0.064 0.451 1167 S N -0.828 114.762 115.700 -0.184 0.000 2.531 1167 S HA -0.004 4.288 4.470 -0.298 0.000 0.279 1167 S C 0.972 175.223 174.600 -0.583 0.000 1.305 1167 S CA 0.310 58.326 58.200 -0.306 0.000 1.058 1167 S CB 1.059 64.127 63.200 -0.221 0.000 0.899 1167 S HN -0.060 8.165 8.310 -0.141 0.000 0.493 1168 E N 5.820 125.464 120.200 -0.928 0.000 2.448 1168 E HA -0.305 2.571 4.350 -2.456 0.000 0.203 1168 E C 0.522 176.666 176.600 -0.761 0.000 1.046 1168 E CA 2.238 57.745 56.400 -1.488 0.000 0.871 1168 E CB -0.114 28.768 29.700 -1.364 0.000 0.790 1168 E HN 0.948 8.821 8.360 -0.812 0.000 0.545 1169 S N -2.275 113.145 115.700 -0.467 0.000 2.539 1169 S HA 0.057 4.352 4.470 -0.293 0.000 0.221 1169 S C -0.215 174.254 174.600 -0.219 0.000 0.987 1169 S CA 0.336 58.358 58.200 -0.295 0.000 0.929 1169 S CB 0.413 63.476 63.200 -0.228 0.000 0.832 1169 S HN -0.279 7.682 8.310 -0.432 0.090 0.492 1170 E N 1.375 121.440 120.200 -0.224 0.000 3.388 1170 E HA 0.185 4.420 4.350 -0.192 0.000 0.214 1170 E C -1.359 175.091 176.600 -0.250 0.000 1.040 1170 E CA -1.351 54.928 56.400 -0.203 0.000 1.327 1170 E CB 0.365 29.971 29.700 -0.158 0.000 1.243 1170 E HN -0.777 7.439 8.360 -0.241 0.000 0.444 1171 A N -0.614 122.072 122.820 -0.224 0.000 2.492 1171 A HA -0.196 4.214 4.320 -0.005 -0.092 0.236 1171 A C 0.033 177.448 177.584 -0.281 0.000 1.078 1171 A CA 0.448 52.410 52.037 -0.124 0.000 0.773 1171 A CB 0.940 19.939 19.000 -0.002 0.000 1.023 1171 A HN -0.697 7.224 8.150 -0.250 0.079 0.504 1172 H N -0.284 118.630 119.070 -0.260 0.000 2.511 1172 H HA 0.153 4.597 4.556 -0.187 0.000 0.346 1172 H C -0.702 174.523 175.328 -0.172 0.000 1.128 1172 H CA 0.059 55.888 56.048 -0.365 0.000 1.342 1172 H CB 1.892 31.108 29.762 -0.911 0.000 1.470 1172 H HN 0.188 8.303 8.280 -0.276 0.000 0.546 1173 L N 1.491 122.787 121.223 0.122 0.000 2.343 1173 L HA 0.626 5.302 4.340 0.240 -0.191 0.278 1173 L C -0.987 176.040 176.870 0.260 0.000 0.996 1173 L CA -1.330 53.629 54.840 0.198 0.000 0.831 1173 L CB 1.601 43.742 42.059 0.137 0.000 1.232 1173 L HN 0.257 8.564 8.230 0.130 0.000 0.413 1174 L N 5.804 127.230 121.223 0.337 0.000 2.376 1174 L HA 0.457 4.960 4.340 0.272 0.000 0.275 1174 L C -2.156 174.890 176.870 0.294 0.000 0.987 1174 L CA -0.960 54.073 54.840 0.321 0.000 0.828 1174 L CB 4.280 46.572 42.059 0.390 0.000 1.249 1174 L HN 0.505 8.957 8.230 0.370 0.000 0.409 1175 D N 6.679 127.229 120.400 0.249 0.000 2.304 1175 D HA 0.405 5.413 4.640 0.319 -0.178 0.247 1175 D C -0.701 175.764 176.300 0.274 0.000 1.089 1175 D CA 0.131 54.295 54.000 0.272 0.000 0.910 1175 D CB 1.135 42.066 40.800 0.218 0.000 1.199 1175 D HN 0.221 8.721 8.370 0.217 0.000 0.426 1176 S N 2.060 117.955 115.700 0.325 0.000 2.546 1176 S HA 0.293 4.900 4.470 0.227 0.000 0.272 1176 S C -0.380 174.390 174.600 0.284 0.000 1.140 1176 S CA -1.526 56.854 58.200 0.299 0.000 0.920 1176 S CB 1.661 65.084 63.200 0.370 0.000 1.083 1176 S HN 0.140 8.670 8.310 0.367 0.000 0.476 1177 K N 4.260 124.773 120.400 0.188 0.000 2.404 1177 K HA 0.142 4.510 4.320 0.080 0.000 0.194 1177 K C -0.260 176.428 176.600 0.146 0.000 1.023 1177 K CA -0.360 56.001 56.287 0.124 0.000 1.094 1177 K CB -0.439 32.108 32.500 0.078 0.000 0.841 1177 K HN 0.350 8.693 8.250 0.155 0.000 0.523 1178 V N -4.176 115.839 119.914 0.169 0.000 3.074 1178 V HA 0.589 4.767 4.120 0.097 0.000 0.314 1178 V C -1.706 174.355 176.094 -0.056 0.000 1.117 1178 V CA -4.221 58.118 62.300 0.064 0.000 1.014 1178 V CB 1.665 33.452 31.823 -0.061 0.000 1.057 1178 V HN -0.612 7.634 8.190 0.171 0.046 0.438 1179 P HA 0.214 3.824 4.420 -1.351 0.000 0.235 1179 P C -1.665 174.482 177.300 -1.921 0.000 1.725 1179 P CA -0.072 62.284 63.100 -1.240 0.000 0.894 1179 P CB -2.299 28.851 31.700 -0.917 0.000 1.704 1180 S N -3.816 111.104 115.700 -1.300 0.000 2.567 1180 S HA 0.790 4.498 4.470 -1.529 -0.155 0.270 1180 S C -1.969 172.393 174.600 -0.397 0.000 1.152 1180 S CA -0.939 56.629 58.200 -1.054 0.000 0.835 1180 S CB 3.080 65.896 63.200 -0.640 0.000 1.115 1180 S HN -0.479 7.269 8.310 -0.773 0.097 0.459 1181 V N -6.432 113.397 119.914 -0.142 0.000 3.114 1181 V HA 0.457 4.571 4.120 -0.011 0.000 0.308 1181 V C -2.626 173.485 176.094 0.028 0.000 1.168 1181 V CA -2.062 60.258 62.300 0.034 0.000 1.015 1181 V CB 3.851 35.803 31.823 0.216 0.000 1.050 1181 V HN 0.666 8.777 8.190 -0.131 0.000 0.433 1182 E N 3.384 123.597 120.200 0.022 0.000 2.113 1182 E HA 0.567 5.216 4.350 0.207 -0.174 0.273 1182 E C -0.761 175.832 176.600 -0.013 0.000 0.924 1182 E CA -1.789 54.664 56.400 0.087 0.000 0.764 1182 E CB 1.835 31.590 29.700 0.091 0.000 1.104 1182 E HN 0.099 8.465 8.360 0.010 0.000 0.406 1183 L N 7.401 128.553 121.223 -0.118 0.000 2.319 1183 L HA 0.220 4.356 4.340 -0.340 0.000 0.280 1183 L C -0.652 176.064 176.870 -0.257 0.000 1.099 1183 L CA -0.095 54.540 54.840 -0.341 0.000 0.828 1183 L CB 0.436 42.092 42.059 -0.672 0.000 1.150 1183 L HN 0.422 8.597 8.230 -0.091 0.000 0.442 1184 T N -0.991 113.446 114.554 -0.194 0.000 2.927 1184 T HA 0.265 4.532 4.350 -0.139 0.000 0.286 1184 T C -0.032 174.589 174.700 -0.132 0.000 1.040 1184 T CA -2.474 59.547 62.100 -0.131 0.000 1.010 1184 T CB 2.219 71.050 68.868 -0.062 0.000 1.177 1184 T HN 0.042 8.177 8.240 -0.175 0.000 0.546 1185 N N -1.151 117.483 118.700 -0.109 0.000 2.725 1185 N HA -0.337 4.338 4.740 -0.108 0.000 0.251 1185 N C -1.224 174.195 175.510 -0.152 0.000 1.031 1185 N CA 0.608 53.590 53.050 -0.114 0.000 0.720 1185 N CB -0.487 37.948 38.487 -0.085 0.000 0.930 1185 N HN 0.261 8.584 8.380 -0.095 0.000 0.543 1186 L N -3.762 117.370 121.223 -0.153 0.000 2.416 1186 L HA 0.127 4.459 4.340 -0.014 0.000 0.262 1186 L C -0.387 176.468 176.870 -0.026 0.000 1.093 1186 L CA -1.140 53.647 54.840 -0.088 0.000 0.801 1186 L CB 1.341 43.244 42.059 -0.260 0.000 1.191 1186 L HN -0.728 7.410 8.230 -0.153 0.000 0.459 1187 Y N -0.252 120.200 120.300 0.254 0.000 2.359 1187 Y HA 0.133 4.767 4.550 0.140 0.000 0.330 1187 Y C -1.563 174.443 175.900 0.178 0.000 1.143 1187 Y CA -0.624 57.589 58.100 0.189 0.000 1.318 1187 Y CB -0.494 38.067 38.460 0.169 0.000 1.234 1187 Y HN -0.021 8.619 8.280 0.600 0.000 0.522 1188 P HA -0.082 4.672 4.420 0.203 -0.212 0.269 1188 P C -0.753 176.732 177.300 0.308 0.000 1.215 1188 P CA -0.204 63.041 63.100 0.241 0.000 0.780 1188 P CB 0.532 32.344 31.700 0.187 0.000 0.898 1189 Y N 0.494 120.863 120.300 0.114 0.000 3.001 1189 Y HA -0.451 4.312 4.550 0.081 -0.164 0.207 1189 Y C -1.459 174.485 175.900 0.073 0.000 1.231 1189 Y CA 1.251 59.401 58.100 0.083 0.000 1.024 1189 Y CB -2.011 36.481 38.460 0.054 0.000 1.267 1189 Y HN -0.096 8.281 8.280 0.328 0.100 0.501 1190 C N 0.966 120.284 119.300 0.029 0.000 2.609 1190 C HA 0.249 4.613 4.460 -0.160 0.000 0.313 1190 C C -2.005 172.940 174.990 -0.075 0.000 1.175 1190 C CA -3.034 55.952 59.018 -0.053 0.000 1.434 1190 C CB 3.127 30.912 27.740 0.075 0.000 2.005 1190 C HN -0.004 8.294 8.230 0.112 0.000 0.471 1191 D N 7.760 128.034 120.400 -0.210 0.000 2.312 1191 D HA 0.130 4.840 4.640 -0.084 -0.121 0.252 1191 D C -1.275 174.842 176.300 -0.304 0.000 1.150 1191 D CA 1.085 54.980 54.000 -0.174 0.000 0.870 1191 D CB 0.798 41.494 40.800 -0.174 0.000 1.153 1191 D HN 0.351 8.573 8.370 -0.246 0.000 0.457 1192 Y N 3.233 123.453 120.300 -0.132 0.000 2.487 1192 Y HA 0.392 4.985 4.550 -0.154 -0.135 0.337 1192 Y C -0.694 175.009 175.900 -0.328 0.000 1.076 1192 Y CA -0.996 56.994 58.100 -0.183 0.000 1.115 1192 Y CB 3.992 42.370 38.460 -0.137 0.000 1.235 1192 Y HN 0.653 9.008 8.280 0.125 0.000 0.468 1193 E N -0.085 119.856 120.200 -0.432 0.000 2.212 1193 E HA 0.916 5.161 4.350 -0.494 -0.191 0.268 1193 E C -1.032 174.990 176.600 -0.964 0.000 0.902 1193 E CA -1.795 54.157 56.400 -0.746 0.000 0.779 1193 E CB 3.773 32.898 29.700 -0.958 0.000 1.172 1193 E HN 0.349 8.397 8.360 -0.520 0.000 0.409 1194 M N -0.905 118.253 119.600 -0.737 0.000 2.520 1194 M HA 0.999 5.356 4.480 -0.526 -0.193 0.280 1194 M C -2.528 173.569 176.300 -0.338 0.000 1.232 1194 M CA -0.965 53.985 55.300 -0.584 0.000 0.892 1194 M CB 5.098 37.252 32.600 -0.743 0.000 1.728 1194 M HN 0.541 8.472 8.290 -0.599 0.000 0.475 1195 K N -2.729 117.674 120.400 0.006 0.000 2.555 1195 K HA 0.679 5.197 4.320 0.331 0.000 0.279 1195 K C -2.868 174.004 176.600 0.454 0.000 0.986 1195 K CA -1.121 55.335 56.287 0.281 0.000 0.880 1195 K CB 4.583 37.236 32.500 0.255 0.000 1.474 1195 K HN 0.472 8.775 8.250 0.089 0.000 0.433 1196 V N -0.548 119.569 119.914 0.339 0.000 2.888 1196 V HA 0.790 5.170 4.120 0.129 -0.182 0.309 1196 V C -2.203 173.716 176.094 -0.293 0.000 1.114 1196 V CA -2.589 59.676 62.300 -0.058 0.000 0.940 1196 V CB 3.779 35.072 31.823 -0.884 0.000 1.021 1196 V HN -0.026 8.339 8.190 0.293 0.000 0.426 1197 C N 4.513 123.484 119.300 -0.548 0.000 2.719 1197 C HA 0.722 4.897 4.460 -0.475 0.000 0.327 1197 C C -2.071 172.785 174.990 -0.223 0.000 1.238 1197 C CA -4.004 54.650 59.018 -0.608 0.000 1.727 1197 C CB 3.531 30.570 27.740 -1.169 0.000 2.256 1197 C HN 0.366 8.346 8.230 -0.416 0.000 0.489 1198 A N -0.959 121.772 122.820 -0.148 0.000 2.294 1198 A HA 0.768 5.026 4.320 -0.349 -0.148 0.330 1198 A C -1.714 175.760 177.584 -0.183 0.000 1.133 1198 A CA -1.836 50.070 52.037 -0.218 0.000 0.836 1198 A CB 2.643 21.553 19.000 -0.149 0.000 1.190 1198 A HN 0.545 8.599 8.150 -0.161 0.000 0.492 1199 Y N -4.568 115.599 120.300 -0.222 0.000 2.545 1199 Y HA 0.978 5.617 4.550 -0.120 -0.161 0.348 1199 Y C -1.361 174.454 175.900 -0.141 0.000 1.002 1199 Y CA -2.816 55.196 58.100 -0.147 0.000 1.039 1199 Y CB 2.868 41.262 38.460 -0.110 0.000 1.271 1199 Y HN 0.052 7.775 8.280 -0.927 0.000 0.467 1200 G N -0.854 108.010 108.800 0.107 0.000 2.793 1200 G HA2 0.183 4.173 3.960 0.051 0.000 0.248 1200 G HA3 0.183 4.137 3.960 -0.010 0.000 0.248 1200 G C -0.798 174.133 174.900 0.053 0.000 1.198 1200 G CA -0.117 45.009 45.100 0.044 0.000 0.865 1200 G HN 0.133 8.498 8.290 0.124 0.000 0.534 1201 A N -1.148 121.686 122.820 0.022 0.000 2.024 1201 A HA -0.177 4.156 4.320 0.021 0.000 0.220 1201 A C 0.897 178.490 177.584 0.016 0.000 1.164 1201 A CA 2.763 54.811 52.037 0.017 0.000 0.643 1201 A CB -0.432 18.573 19.000 0.008 0.000 0.806 1201 A HN 0.541 8.696 8.150 0.009 0.000 0.451 1202 Q N -3.557 116.253 119.800 0.016 0.000 2.198 1202 Q HA 0.147 4.493 4.340 0.010 0.000 0.209 1202 Q C 0.124 176.134 176.000 0.017 0.000 0.848 1202 Q CA -1.090 54.721 55.803 0.013 0.000 0.974 1202 Q CB 0.072 28.816 28.738 0.010 0.000 1.115 1202 Q HN -0.031 8.219 8.270 0.017 0.030 0.494 1203 G N 0.462 109.278 108.800 0.028 0.000 2.445 1203 G HA2 -0.275 3.699 3.960 0.023 0.000 0.212 1203 G HA3 -0.275 3.696 3.960 0.018 0.000 0.212 1203 G C -2.344 172.589 174.900 0.056 0.000 1.217 1203 G CA -0.591 44.526 45.100 0.030 0.000 1.002 1203 G HN -0.359 7.794 8.290 0.037 0.158 0.574 1204 E N 4.401 124.627 120.200 0.042 0.000 2.200 1204 E HA 0.302 4.846 4.350 0.076 -0.148 0.283 1204 E C -0.273 176.327 176.600 0.001 0.000 1.015 1204 E CA -1.009 55.415 56.400 0.041 0.000 0.819 1204 E CB 0.926 30.648 29.700 0.036 0.000 1.081 1204 E HN 0.173 8.550 8.360 0.029 0.000 0.397 1205 G N 5.827 114.607 108.800 -0.034 0.000 2.563 1205 G HA2 0.182 4.133 3.960 -0.014 0.000 0.283 1205 G HA3 0.182 4.114 3.960 -0.045 0.000 0.283 1205 G C -1.828 173.032 174.900 -0.067 0.000 1.309 1205 G CA -1.260 43.816 45.100 -0.040 0.000 1.022 1205 G HN 0.264 8.527 8.290 -0.044 0.000 0.501 1206 P HA -0.018 4.448 4.420 0.078 0.000 0.274 1206 P C -1.484 175.799 177.300 -0.029 0.000 1.237 1206 P CA -0.308 62.806 63.100 0.024 0.000 0.793 1206 P CB 1.128 32.858 31.700 0.051 0.000 0.977 1207 Y N -0.920 119.403 120.300 0.038 0.000 2.326 1207 Y HA -0.040 4.654 4.550 0.023 -0.130 0.333 1207 Y C 0.924 176.842 175.900 0.031 0.000 1.240 1207 Y CA 0.768 58.891 58.100 0.037 0.000 1.365 1207 Y CB 1.084 39.584 38.460 0.067 0.000 1.289 1207 Y HN -0.065 8.425 8.280 0.349 0.000 0.548 1208 S N 2.025 117.821 115.700 0.160 0.000 2.606 1208 S HA -0.063 4.454 4.470 0.079 0.000 0.257 1208 S C 0.525 175.221 174.600 0.161 0.000 1.327 1208 S CA -0.226 58.042 58.200 0.114 0.000 0.984 1208 S CB 1.706 64.942 63.200 0.059 0.000 0.941 1208 S HN 0.269 8.658 8.310 0.132 0.000 0.576 1209 S N -0.080 115.696 115.700 0.127 0.000 2.558 1209 S HA -0.185 4.349 4.470 0.108 0.000 0.287 1209 S C -0.609 174.069 174.600 0.130 0.000 1.321 1209 S CA 0.779 59.049 58.200 0.117 0.000 1.048 1209 S CB 0.504 63.762 63.200 0.097 0.000 0.844 1209 S HN 0.222 8.598 8.310 0.109 0.000 0.512 1210 L N 3.313 124.594 121.223 0.096 0.000 2.380 1210 L HA 0.029 4.552 4.340 0.040 -0.159 0.273 1210 L C -0.296 176.575 176.870 0.002 0.000 1.138 1210 L CA 0.138 55.006 54.840 0.047 0.000 0.832 1210 L CB 0.855 42.949 42.059 0.059 0.000 1.124 1210 L HN 0.043 8.328 8.230 0.091 0.000 0.454 1211 V N 7.065 126.928 119.914 -0.086 0.000 2.604 1211 V HA 0.265 4.360 4.120 -0.041 0.000 0.305 1211 V C -1.486 174.492 176.094 -0.194 0.000 1.043 1211 V CA -0.957 61.282 62.300 -0.102 0.000 0.888 1211 V CB 3.204 34.980 31.823 -0.078 0.000 0.995 1211 V HN 0.703 8.798 8.190 -0.158 0.000 0.429 1212 S N 5.981 121.606 115.700 -0.126 0.000 2.489 1212 S HA 0.748 5.322 4.470 -0.173 -0.208 0.291 1212 S C -0.938 173.603 174.600 -0.098 0.000 1.151 1212 S CA -0.742 57.381 58.200 -0.128 0.000 1.082 1212 S CB 1.235 64.383 63.200 -0.086 0.000 1.019 1212 S HN 0.194 8.456 8.310 -0.080 0.000 0.492 1213 C N 2.983 122.229 119.300 -0.090 0.000 2.891 1213 C HA 0.261 4.692 4.460 -0.049 0.000 0.342 1213 C C -2.602 172.379 174.990 -0.015 0.000 1.126 1213 C CA -1.210 57.772 59.018 -0.060 0.000 1.322 1213 C CB 2.759 30.444 27.740 -0.092 0.000 1.763 1213 C HN 0.642 8.820 8.230 -0.087 0.000 0.491 1214 R N 6.726 127.215 120.500 -0.019 0.000 2.460 1214 R HA 0.630 5.189 4.340 0.032 -0.199 0.303 1214 R C -0.178 176.122 176.300 0.001 0.000 0.968 1214 R CA -1.273 54.826 56.100 -0.002 0.000 0.889 1214 R CB 2.386 32.654 30.300 -0.053 0.000 1.123 1214 R HN 0.222 8.477 8.270 -0.024 0.000 0.455 1215 T N 4.343 118.924 114.554 0.046 0.000 2.860 1215 T HA 0.057 4.318 4.350 -0.147 0.000 0.299 1215 T C 0.069 174.831 174.700 0.104 0.000 1.045 1215 T CA 0.012 62.108 62.100 -0.007 0.000 1.071 1215 T CB 1.560 70.468 68.868 0.068 0.000 0.985 1215 T HN -0.131 8.178 8.240 0.117 0.000 0.537 1216 H N 2.297 121.413 119.070 0.077 0.000 2.757 1216 H HA -0.039 4.590 4.556 0.120 0.000 0.370 1216 H C 0.610 176.022 175.328 0.140 0.000 1.172 1216 H CA -0.061 56.045 56.048 0.097 0.000 1.426 1216 H CB 1.111 30.895 29.762 0.035 0.000 1.438 1216 H HN -0.234 7.944 8.280 -0.170 0.000 0.612 1217 Q N 0.062 120.017 119.800 0.259 0.000 2.492 1217 Q HA 0.036 4.573 4.340 0.135 -0.116 0.238 1217 Q C -0.616 175.425 176.000 0.069 0.000 1.045 1217 Q CA 1.488 57.347 55.803 0.093 0.000 0.934 1217 Q CB 1.089 29.753 28.738 -0.123 0.000 1.276 1217 Q HN 0.249 8.661 8.270 0.237 0.000 0.521 1218 E N 1.029 121.248 120.200 0.030 0.000 2.383 1218 E HA 0.163 4.525 4.350 0.021 0.000 0.275 1218 E C -1.668 174.926 176.600 -0.010 0.000 0.918 1218 E CA -2.088 54.326 56.400 0.024 0.000 0.764 1218 E CB 3.407 33.139 29.700 0.053 0.000 1.252 1218 E HN -0.235 8.134 8.360 0.016 0.000 0.449 1219 V N -0.689 119.218 119.914 -0.011 0.000 3.032 1219 V HA -0.052 4.188 4.120 -0.065 -0.159 0.307 1219 V C -1.590 174.501 176.094 -0.004 0.000 1.097 1219 V CA -1.510 60.775 62.300 -0.024 0.000 1.191 1219 V CB -0.122 31.705 31.823 0.006 0.000 0.964 1219 V HN 0.113 8.304 8.190 0.001 0.000 0.494 1220 P HA 0.093 4.653 4.420 0.018 -0.129 0.273 1220 P C -0.709 176.622 177.300 0.052 0.000 1.250 1220 P CA -0.336 62.773 63.100 0.015 0.000 0.793 1220 P CB 1.005 32.705 31.700 0.000 0.000 1.011 1221 S N 0.810 116.551 115.700 0.068 0.000 2.640 1221 S HA -0.102 4.409 4.470 0.069 0.000 0.262 1221 S C -0.030 174.625 174.600 0.092 0.000 1.232 1221 S CA -0.263 57.983 58.200 0.076 0.000 0.988 1221 S CB 0.676 63.923 63.200 0.079 0.000 1.034 1221 S HN 0.042 8.395 8.310 0.070 0.000 0.569 1222 E N 0.313 120.564 120.200 0.086 0.000 2.437 1222 E HA 0.109 4.687 4.350 0.089 -0.175 0.263 1222 E C -1.064 175.606 176.600 0.115 0.000 1.030 1222 E CA -0.353 56.100 56.400 0.089 0.000 0.934 1222 E CB -0.544 29.197 29.700 0.069 0.000 0.943 1222 E HN 0.161 8.567 8.360 0.077 0.000 0.444 1223 P HA -0.124 4.440 4.420 0.240 0.000 0.270 1223 P C -0.136 177.241 177.300 0.129 0.000 1.227 1223 P CA 0.185 63.379 63.100 0.157 0.000 0.788 1223 P CB 0.594 32.300 31.700 0.010 0.000 0.926 1224 G N -0.464 108.436 108.800 0.166 0.000 2.664 1224 G HA2 -0.188 3.834 3.960 0.104 0.000 0.242 1224 G HA3 -0.188 3.846 3.960 0.124 0.000 0.242 1224 G C -0.628 174.339 174.900 0.112 0.000 1.225 1224 G CA -0.766 44.409 45.100 0.125 0.000 0.849 1224 G HN -0.261 8.051 8.290 0.214 0.105 0.581 1225 R N 1.554 122.106 120.500 0.087 0.000 2.583 1225 R HA -0.200 4.189 4.340 0.083 0.000 0.274 1225 R C 0.086 176.436 176.300 0.083 0.000 0.998 1225 R CA 0.820 56.970 56.100 0.083 0.000 1.081 1225 R CB 0.350 30.696 30.300 0.076 0.000 0.940 1225 R HN 0.131 8.449 8.270 0.080 0.000 0.413 1226 L N 4.607 125.879 121.223 0.081 0.000 2.410 1226 L HA 0.046 4.513 4.340 -0.000 -0.127 0.273 1226 L C -0.219 176.619 176.870 -0.053 0.000 1.152 1226 L CA 0.256 55.091 54.840 -0.008 0.000 0.855 1226 L CB -0.114 41.923 42.059 -0.037 0.000 1.129 1226 L HN 0.272 8.563 8.230 0.102 0.000 0.463 1227 A N 4.899 127.597 122.820 -0.203 0.000 2.318 1227 A HA 0.431 4.763 4.320 0.019 0.000 0.324 1227 A C -2.010 175.346 177.584 -0.381 0.000 1.170 1227 A CA -1.150 50.801 52.037 -0.144 0.000 0.810 1227 A CB 2.757 21.706 19.000 -0.085 0.000 1.198 1227 A HN 0.434 8.457 8.150 -0.211 0.000 0.484 1228 F N 0.700 120.613 119.950 -0.062 0.000 2.449 1228 F HA 0.538 5.197 4.527 -0.116 -0.202 0.342 1228 F C -0.025 175.733 175.800 -0.070 0.000 1.127 1228 F CA -1.554 56.388 58.000 -0.096 0.000 0.975 1228 F CB 2.095 41.019 39.000 -0.127 0.000 1.146 1228 F HN 0.246 8.701 8.300 0.258 0.000 0.444 1229 N N 6.139 124.869 118.700 0.050 0.000 2.699 1229 N HA 0.270 5.033 4.740 0.038 0.000 0.232 1229 N C -1.480 174.047 175.510 0.029 0.000 1.027 1229 N CA -0.533 52.532 53.050 0.026 0.000 0.920 1229 N CB 1.095 39.571 38.487 -0.018 0.000 1.148 1229 N HN 0.135 8.511 8.380 -0.006 0.000 0.509 1230 V N 4.328 124.268 119.914 0.043 0.000 2.530 1230 V HA -0.179 3.960 4.120 0.032 0.000 0.282 1230 V C -0.754 175.346 176.094 0.010 0.000 1.048 1230 V CA 0.821 63.139 62.300 0.029 0.000 0.997 1230 V CB 0.336 32.173 31.823 0.023 0.000 0.987 1230 V HN 0.478 8.697 8.190 0.048 0.000 0.477 1231 V N 6.630 126.546 119.914 0.003 0.000 2.672 1231 V HA 0.208 4.549 4.120 -0.002 -0.223 0.242 1231 V C 0.174 176.268 176.094 -0.000 0.000 1.059 1231 V CA 0.787 63.086 62.300 -0.002 0.000 1.081 1231 V CB 1.377 33.196 31.823 -0.007 0.000 0.752 1231 V HN 0.238 8.430 8.190 0.003 0.000 0.472 1232 S N -2.404 113.297 115.700 0.001 0.000 2.752 1232 S HA 0.278 4.750 4.470 0.003 0.000 0.284 1232 S C 0.634 175.238 174.600 0.006 0.000 1.189 1232 S CA -1.334 56.868 58.200 0.003 0.000 0.835 1232 S CB 2.095 65.296 63.200 0.002 0.000 1.192 1232 S HN -0.617 7.693 8.310 0.001 0.000 0.506 1233 S N -0.338 115.367 115.700 0.010 0.000 2.500 1233 S HA -0.177 4.304 4.470 0.017 0.000 0.239 1233 S C 0.679 175.291 174.600 0.021 0.000 0.989 1233 S CA 2.103 60.313 58.200 0.017 0.000 0.951 1233 S CB -0.357 62.855 63.200 0.020 0.000 0.759 1233 S HN 0.658 8.974 8.310 0.009 0.000 0.523 1234 T N -5.637 108.924 114.554 0.011 0.000 3.058 1234 T HA 0.284 4.639 4.350 0.008 0.000 0.278 1234 T C -1.266 173.423 174.700 -0.019 0.000 0.974 1234 T CA -0.559 61.543 62.100 0.003 0.000 0.893 1234 T CB 1.742 70.616 68.868 0.010 0.000 1.138 1234 T HN -0.552 7.636 8.240 0.007 0.056 0.529 1235 V N 1.297 121.202 119.914 -0.016 0.000 2.686 1235 V HA 0.779 5.088 4.120 -0.037 -0.211 0.306 1235 V C -2.245 173.840 176.094 -0.015 0.000 1.065 1235 V CA -1.477 60.809 62.300 -0.024 0.000 0.894 1235 V CB 3.514 35.327 31.823 -0.018 0.000 1.004 1235 V HN -0.675 7.511 8.190 -0.008 0.000 0.424 1236 T N 5.422 119.963 114.554 -0.021 0.000 2.923 1236 T HA 0.466 4.938 4.350 0.004 -0.119 0.311 1236 T C -2.594 172.089 174.700 -0.029 0.000 1.183 1236 T CA -1.813 60.287 62.100 -0.000 0.000 1.020 1236 T CB 2.409 71.309 68.868 0.054 0.000 1.165 1236 T HN 0.501 8.720 8.240 -0.035 0.000 0.482 1237 Q N 6.787 126.565 119.800 -0.038 0.000 2.259 1237 Q HA 0.558 5.005 4.340 -0.083 -0.157 0.249 1237 Q C -1.950 173.958 176.000 -0.153 0.000 0.914 1237 Q CA -0.296 55.457 55.803 -0.084 0.000 0.904 1237 Q CB 2.384 31.072 28.738 -0.084 0.000 1.213 1237 Q HN 0.230 8.486 8.270 -0.024 0.000 0.428 1238 L N 7.310 128.411 121.223 -0.204 0.000 2.341 1238 L HA 0.934 5.092 4.340 -0.601 -0.179 0.278 1238 L C -2.321 174.427 176.870 -0.203 0.000 1.005 1238 L CA -1.787 52.843 54.840 -0.352 0.000 0.818 1238 L CB 3.760 45.634 42.059 -0.308 0.000 1.259 1238 L HN 0.694 8.838 8.230 -0.144 0.000 0.418 1239 S N 3.670 119.229 115.700 -0.235 0.000 2.651 1239 S HA 0.828 5.105 4.470 -0.547 -0.135 0.279 1239 S C -1.960 172.594 174.600 -0.077 0.000 1.148 1239 S CA -1.622 56.390 58.200 -0.313 0.000 0.837 1239 S CB 3.334 66.314 63.200 -0.368 0.000 1.138 1239 S HN 0.397 8.519 8.310 -0.314 0.000 0.478 1240 W N -4.514 116.647 121.300 -0.232 0.000 3.363 1240 W HA 0.458 5.018 4.660 -0.166 0.000 0.306 1240 W C -2.206 174.208 176.519 -0.174 0.000 1.253 1240 W CA -0.716 56.509 57.345 -0.199 0.000 1.195 1240 W CB 1.649 30.981 29.460 -0.214 0.000 1.366 1240 W HN -0.166 7.463 8.180 -0.917 0.000 0.551 1241 A N 0.909 123.766 122.820 0.062 0.000 2.332 1241 A HA 0.037 4.320 4.320 -0.062 0.000 0.258 1241 A C -0.639 177.037 177.584 0.154 0.000 1.087 1241 A CA -0.870 51.185 52.037 0.030 0.000 0.802 1241 A CB 0.897 19.925 19.000 0.046 0.000 1.042 1241 A HN 0.543 8.762 8.150 0.114 0.000 0.489 1242 E N 1.515 121.792 120.200 0.129 0.000 2.415 1242 E HA 0.025 4.611 4.350 0.392 0.000 0.262 1242 E C -1.397 175.335 176.600 0.220 0.000 1.038 1242 E CA -2.326 54.224 56.400 0.250 0.000 0.921 1242 E CB 0.343 30.159 29.700 0.194 0.000 0.950 1242 E HN 0.233 8.634 8.360 0.069 0.000 0.438 1243 P HA -0.170 4.543 4.420 0.168 -0.192 0.263 1243 P C -1.063 176.314 177.300 0.127 0.000 1.175 1243 P CA 0.625 63.831 63.100 0.177 0.000 0.761 1243 P CB 0.403 32.202 31.700 0.165 0.000 0.794 1244 A N 3.788 126.672 122.820 0.106 0.000 1.940 1244 A HA -0.236 4.134 4.320 0.085 0.000 0.219 1244 A C 0.225 177.863 177.584 0.090 0.000 1.176 1244 A CA 1.810 53.901 52.037 0.089 0.000 0.631 1244 A CB 0.377 19.425 19.000 0.081 0.000 0.814 1244 A HN 0.476 8.689 8.150 0.105 0.000 0.446 1245 E N -1.821 118.436 120.200 0.094 0.000 2.182 1245 E HA 0.282 4.691 4.350 0.098 0.000 0.258 1245 E C -0.409 176.241 176.600 0.084 0.000 0.879 1245 E CA -0.748 55.710 56.400 0.096 0.000 0.754 1245 E CB 0.843 30.607 29.700 0.106 0.000 1.162 1245 E HN -0.805 7.611 8.360 0.094 0.000 0.419 1246 T N 1.016 115.614 114.554 0.074 0.000 2.942 1246 T HA -0.210 4.163 4.350 0.038 0.000 0.265 1246 T C -0.410 174.302 174.700 0.020 0.000 1.062 1246 T CA 1.808 63.933 62.100 0.041 0.000 1.139 1246 T CB 0.363 69.249 68.868 0.030 0.000 0.883 1246 T HN 0.414 8.700 8.240 0.077 0.000 0.468 1247 N N -1.481 117.257 118.700 0.063 0.000 2.708 1247 N HA -0.295 4.528 4.740 0.139 0.000 0.251 1247 N C -1.264 174.252 175.510 0.010 0.000 1.123 1247 N CA 0.866 53.964 53.050 0.080 0.000 0.739 1247 N CB -1.227 37.299 38.487 0.065 0.000 1.113 1247 N HN 0.007 8.440 8.380 0.089 0.000 0.561 1248 G N -4.741 104.018 108.800 -0.069 0.000 2.367 1248 G HA2 -0.092 3.371 3.960 -0.827 0.000 0.272 1248 G HA3 -0.092 3.756 3.960 -0.410 -0.134 0.272 1248 G C -3.170 171.557 174.900 -0.289 0.000 1.271 1248 G CA 0.341 45.195 45.100 -0.410 0.000 0.893 1248 G HN -0.963 7.304 8.290 -0.002 0.022 0.485 1249 E N 0.335 120.320 120.200 -0.357 0.000 2.158 1249 E HA 0.383 4.669 4.350 -0.108 0.000 0.271 1249 E C -0.870 175.616 176.600 -0.190 0.000 0.911 1249 E CA -2.709 53.581 56.400 -0.184 0.000 0.767 1249 E CB 1.885 31.499 29.700 -0.144 0.000 1.120 1249 E HN -0.276 7.960 8.360 -0.470 -0.158 0.405 1250 I N 5.961 126.442 120.570 -0.149 0.000 2.517 1250 I HA -0.071 4.124 4.170 -0.272 -0.188 0.285 1250 I C 1.020 177.008 176.117 -0.216 0.000 1.106 1250 I CA -0.269 60.900 61.300 -0.219 0.000 1.402 1250 I CB -1.297 36.577 38.000 -0.211 0.000 1.399 1250 I HN 0.481 8.630 8.210 -0.101 0.000 0.535 1251 T N 4.927 119.315 114.554 -0.277 0.000 2.990 1251 T HA 0.116 4.376 4.350 -0.149 0.000 0.250 1251 T C -0.668 173.909 174.700 -0.205 0.000 1.041 1251 T CA -0.577 61.396 62.100 -0.212 0.000 1.010 1251 T CB 1.126 69.866 68.868 -0.214 0.000 1.003 1251 T HN 0.314 8.350 8.240 -0.340 0.000 0.499 1252 A N 0.185 122.806 122.820 -0.332 0.000 2.599 1252 A HA 0.220 4.631 4.320 -0.054 -0.123 0.294 1252 A C -3.121 174.287 177.584 -0.294 0.000 1.055 1252 A CA 0.247 52.167 52.037 -0.194 0.000 0.683 1252 A CB 2.090 21.045 19.000 -0.075 0.000 1.278 1252 A HN -0.843 7.033 8.150 -0.457 0.000 0.412 1253 Y N -1.573 118.899 120.300 0.287 0.000 2.509 1253 Y HA 0.760 5.731 4.550 0.409 -0.176 0.341 1253 Y C -0.070 176.044 175.900 0.357 0.000 1.038 1253 Y CA -1.487 56.828 58.100 0.358 0.000 1.089 1253 Y CB 4.135 42.806 38.460 0.352 0.000 1.241 1253 Y HN -0.031 8.467 8.280 0.363 0.000 0.468 1254 E N 1.452 121.865 120.200 0.355 0.000 2.241 1254 E HA 0.396 4.816 4.350 0.117 0.000 0.263 1254 E C -2.018 174.544 176.600 -0.064 0.000 0.882 1254 E CA -1.519 54.908 56.400 0.045 0.000 0.769 1254 E CB 3.881 33.365 29.700 -0.360 0.000 1.185 1254 E HN 0.372 8.944 8.360 0.353 0.000 0.415 1255 V N 7.556 127.456 119.914 -0.024 0.000 2.427 1255 V HA 0.607 4.876 4.120 -0.114 -0.218 0.286 1255 V C -0.706 175.417 176.094 0.048 0.000 1.034 1255 V CA -1.167 61.115 62.300 -0.031 0.000 0.893 1255 V CB 1.781 33.632 31.823 0.045 0.000 0.982 1255 V HN 0.473 8.690 8.190 0.045 0.000 0.452 1256 C N 5.336 124.666 119.300 0.051 0.000 2.667 1256 C HA 1.015 5.696 4.460 0.062 -0.183 0.323 1256 C C -1.225 173.870 174.990 0.175 0.000 1.214 1256 C CA -2.461 56.590 59.018 0.056 0.000 1.721 1256 C CB 3.773 31.477 27.740 -0.059 0.000 2.275 1256 C HN 0.298 8.543 8.230 0.025 0.000 0.491 1257 Y N -2.505 117.778 120.300 -0.028 0.000 2.581 1257 Y HA 1.119 5.795 4.550 -0.164 -0.224 0.337 1257 Y C -2.209 173.662 175.900 -0.048 0.000 1.108 1257 Y CA -2.540 55.495 58.100 -0.108 0.000 1.033 1257 Y CB 2.887 41.244 38.460 -0.172 0.000 1.318 1257 Y HN 0.494 8.638 8.280 -0.227 0.000 0.459 1258 G N -2.318 106.493 108.800 0.017 0.000 2.667 1258 G HA2 0.238 4.163 3.960 -0.058 0.000 0.294 1258 G HA3 0.238 4.121 3.960 -0.127 0.000 0.294 1258 G C -2.789 172.042 174.900 -0.115 0.000 1.467 1258 G CA -0.170 44.899 45.100 -0.051 0.000 0.852 1258 G HN -0.106 8.219 8.290 0.057 0.000 0.521 1259 L N 1.657 122.694 121.223 -0.311 0.000 2.490 1259 L HA 0.119 4.006 4.340 -0.971 -0.131 0.274 1259 L C 0.509 177.200 176.870 -0.298 0.000 1.201 1259 L CA 0.588 55.093 54.840 -0.558 0.000 0.869 1259 L CB -0.811 40.991 42.059 -0.428 0.000 1.123 1259 L HN 0.400 8.496 8.230 -0.224 0.000 0.484 1260 V N -3.464 116.288 119.914 -0.271 0.000 3.102 1260 V HA 0.607 4.795 4.120 -0.135 -0.149 0.312 1260 V C -1.317 174.698 176.094 -0.130 0.000 1.135 1260 V CA -3.109 59.100 62.300 -0.152 0.000 1.022 1260 V CB 3.606 35.370 31.823 -0.098 0.000 1.056 1260 V HN -0.159 7.834 8.190 -0.329 0.000 0.436 1261 N N -0.008 118.640 118.700 -0.088 0.000 2.431 1261 N HA 0.004 4.700 4.740 -0.074 0.000 0.289 1261 N C 0.361 175.842 175.510 -0.048 0.000 1.277 1261 N CA -0.950 52.060 53.050 -0.067 0.000 0.972 1261 N CB 0.821 39.276 38.487 -0.053 0.000 1.143 1261 N HN 0.121 8.454 8.380 -0.079 0.000 0.578 1262 D N -2.854 117.525 120.400 -0.035 0.000 2.310 1262 D HA -0.136 4.491 4.640 -0.022 0.000 0.212 1262 D C -0.262 176.028 176.300 -0.018 0.000 0.965 1262 D CA 2.225 56.211 54.000 -0.023 0.000 0.879 1262 D CB -0.501 40.288 40.800 -0.018 0.000 0.921 1262 D HN 0.287 8.637 8.370 -0.034 0.000 0.510 1263 D N -2.341 118.047 120.400 -0.021 0.000 2.395 1263 D HA 0.108 4.741 4.640 -0.011 0.000 0.226 1263 D C -0.606 175.684 176.300 -0.017 0.000 1.146 1263 D CA -0.552 53.439 54.000 -0.016 0.000 0.830 1263 D CB -0.607 40.184 40.800 -0.016 0.000 0.958 1263 D HN -0.547 8.029 8.370 -0.025 -0.221 0.501 1264 N N -1.157 117.530 118.700 -0.021 0.000 2.708 1264 N HA -0.525 4.199 4.740 -0.027 0.000 0.249 1264 N C -1.717 173.775 175.510 -0.030 0.000 1.097 1264 N CA 1.576 54.613 53.050 -0.021 0.000 0.710 1264 N CB -1.055 37.428 38.487 -0.006 0.000 1.032 1264 N HN -0.380 7.913 8.380 -0.023 0.074 0.551 1265 R N -1.235 119.243 120.500 -0.037 0.000 2.229 1265 R HA 0.363 4.680 4.340 -0.037 0.000 0.328 1265 R C -2.529 173.736 176.300 -0.058 0.000 1.009 1265 R CA -2.365 53.710 56.100 -0.042 0.000 0.864 1265 R CB 0.654 30.933 30.300 -0.036 0.000 1.085 1265 R HN -0.699 7.777 8.270 -0.038 -0.229 0.453 1266 P HA -0.041 4.485 4.420 -0.093 -0.161 0.264 1266 P C -0.645 176.606 177.300 -0.081 0.000 1.193 1266 P CA 0.301 63.354 63.100 -0.079 0.000 0.763 1266 P CB 0.421 32.078 31.700 -0.071 0.000 0.810 1267 I N 5.962 126.470 120.570 -0.103 0.000 2.310 1267 I HA -0.061 4.063 4.170 -0.078 0.000 0.287 1267 I C -0.625 175.435 176.117 -0.095 0.000 1.073 1267 I CA -0.338 60.905 61.300 -0.096 0.000 1.216 1267 I CB -0.705 37.227 38.000 -0.113 0.000 1.415 1267 I HN 0.045 8.067 8.210 -0.125 0.113 0.480 1268 G N 5.821 114.575 108.800 -0.076 0.000 2.796 1268 G HA2 -0.223 3.700 3.960 -0.062 0.000 0.571 1268 G HA3 -0.223 3.693 3.960 -0.073 0.000 0.571 1268 G C -2.867 171.983 174.900 -0.083 0.000 1.370 1268 G CA -1.127 43.930 45.100 -0.072 0.000 0.856 1268 G HN -0.106 8.143 8.290 -0.067 0.000 0.538 1269 P HA 0.117 4.485 4.420 -0.087 0.000 0.276 1269 P C -1.143 176.079 177.300 -0.129 0.000 1.244 1269 P CA -0.586 62.457 63.100 -0.095 0.000 0.801 1269 P CB 0.896 32.545 31.700 -0.085 0.000 1.006 1270 M N -0.268 119.250 119.600 -0.137 0.000 2.232 1270 M HA -0.132 4.324 4.480 -0.214 -0.104 0.321 1270 M C 0.286 176.442 176.300 -0.239 0.000 1.101 1270 M CA -0.235 54.952 55.300 -0.189 0.000 1.181 1270 M CB 0.710 33.221 32.600 -0.149 0.000 1.432 1270 M HN -0.042 8.177 8.290 -0.118 0.000 0.457 1271 K N 1.220 121.383 120.400 -0.396 0.000 2.221 1271 K HA 0.306 4.474 4.320 -0.253 0.000 0.258 1271 K C -1.700 174.734 176.600 -0.276 0.000 0.944 1271 K CA -1.273 54.782 56.287 -0.388 0.000 0.823 1271 K CB 2.135 34.268 32.500 -0.612 0.000 1.113 1271 K HN 0.420 8.352 8.250 -0.530 0.000 0.431 1272 K N 4.734 125.050 120.400 -0.140 0.000 2.156 1272 K HA 0.024 4.305 4.320 -0.065 0.000 0.271 1272 K C -0.399 176.212 176.600 0.017 0.000 0.995 1272 K CA -0.474 55.773 56.287 -0.067 0.000 0.890 1272 K CB 1.013 33.464 32.500 -0.082 0.000 1.073 1272 K HN 0.275 8.449 8.250 -0.127 0.000 0.454 1273 V N 6.227 126.189 119.914 0.080 0.000 2.439 1273 V HA 0.025 4.228 4.120 0.137 0.000 0.282 1273 V C -0.891 175.261 176.094 0.098 0.000 1.039 1273 V CA -0.285 62.093 62.300 0.130 0.000 0.913 1273 V CB 0.926 32.864 31.823 0.191 0.000 0.983 1273 V HN -0.014 8.220 8.190 0.072 0.000 0.460 1274 L N 6.862 128.140 121.223 0.091 0.000 2.307 1274 L HA 0.347 4.744 4.340 0.094 0.000 0.284 1274 L C -0.194 176.732 176.870 0.093 0.000 1.023 1274 L CA -0.830 54.062 54.840 0.087 0.000 0.810 1274 L CB 0.278 42.377 42.059 0.066 0.000 1.231 1274 L HN 0.165 8.450 8.230 0.090 0.000 0.423 1275 V N -1.657 118.320 119.914 0.104 0.000 3.130 1275 V HA 0.300 4.469 4.120 0.082 0.000 0.310 1275 V C -0.494 175.651 176.094 0.085 0.000 1.158 1275 V CA -1.865 60.492 62.300 0.095 0.000 1.029 1275 V CB 2.622 34.514 31.823 0.114 0.000 1.057 1275 V HN -0.178 8.081 8.190 0.114 0.000 0.436 1276 D N 2.009 122.450 120.400 0.068 0.000 2.117 1276 D HA -0.309 4.363 4.640 0.053 0.000 0.197 1276 D C -0.522 175.815 176.300 0.062 0.000 0.987 1276 D CA 1.920 55.954 54.000 0.056 0.000 0.829 1276 D CB 0.162 40.988 40.800 0.042 0.000 0.961 1276 D HN 0.082 8.490 8.370 0.063 0.000 0.460 1277 N N -2.537 116.206 118.700 0.071 0.000 2.696 1277 N HA 0.286 5.068 4.740 0.070 0.000 0.246 1277 N C -1.195 174.388 175.510 0.122 0.000 1.057 1277 N CA -2.738 50.359 53.050 0.078 0.000 0.867 1277 N CB 0.297 38.819 38.487 0.057 0.000 1.141 1277 N HN -0.216 8.207 8.380 0.073 0.000 0.517 1278 P HA 0.071 4.642 4.420 0.251 0.000 0.245 1278 P C 0.298 177.777 177.300 0.299 0.000 1.212 1278 P CA 0.845 64.078 63.100 0.221 0.000 0.774 1278 P CB 0.471 32.286 31.700 0.192 0.000 0.999 1279 K N -1.712 118.818 120.400 0.218 0.000 2.418 1279 K HA -0.145 4.369 4.320 0.323 0.000 0.195 1279 K C -0.202 176.582 176.600 0.306 0.000 1.035 1279 K CA 0.957 57.403 56.287 0.265 0.000 1.003 1279 K CB -0.233 32.341 32.500 0.124 0.000 0.793 1279 K HN -0.410 8.139 8.250 0.153 -0.207 0.494 1280 N N -0.515 118.296 118.700 0.185 0.000 2.479 1280 N HA -0.124 4.605 4.740 -0.018 0.000 0.257 1280 N C -0.348 175.089 175.510 -0.122 0.000 1.232 1280 N CA 0.979 54.044 53.050 0.025 0.000 0.920 1280 N CB 0.594 39.077 38.487 -0.007 0.000 1.105 1280 N HN -0.847 7.604 8.380 0.173 0.033 0.444 1281 R N -1.143 119.054 120.500 -0.506 0.000 2.700 1281 R HA 0.079 3.339 4.340 -1.800 0.000 0.377 1281 R C -1.969 173.376 176.300 -1.590 0.000 1.130 1281 R CA -0.516 54.742 56.100 -1.403 0.000 1.055 1281 R CB 0.282 29.843 30.300 -1.233 0.000 1.387 1281 R HN 0.284 8.304 8.270 -0.418 0.000 0.580 1282 M N -1.016 118.053 119.600 -0.885 0.000 2.465 1282 M HA 0.829 5.130 4.480 -0.635 -0.202 0.284 1282 M C -2.535 173.641 176.300 -0.206 0.000 1.212 1282 M CA -1.387 53.590 55.300 -0.540 0.000 0.910 1282 M CB 3.882 36.267 32.600 -0.357 0.000 1.725 1282 M HN -0.874 7.003 8.290 -0.587 0.060 0.477 1283 L N 4.898 126.070 121.223 -0.085 0.000 2.482 1283 L HA 0.406 4.749 4.340 0.004 0.000 0.263 1283 L C -2.801 174.048 176.870 -0.034 0.000 0.957 1283 L CA -0.324 54.521 54.840 0.008 0.000 0.836 1283 L CB 4.596 46.732 42.059 0.128 0.000 1.324 1283 L HN 0.643 8.808 8.230 -0.110 0.000 0.406 1284 L N 3.612 124.816 121.223 -0.032 0.000 2.357 1284 L HA 0.432 4.860 4.340 -0.054 -0.121 0.273 1284 L C -1.066 175.774 176.870 -0.050 0.000 1.080 1284 L CA -0.591 54.222 54.840 -0.044 0.000 0.803 1284 L CB 1.627 43.664 42.059 -0.037 0.000 1.174 1284 L HN 0.204 8.421 8.230 -0.022 0.000 0.443 1285 I N 0.050 120.578 120.570 -0.070 0.000 2.478 1285 I HA 0.543 4.809 4.170 -0.114 -0.165 0.287 1285 I C -1.626 174.435 176.117 -0.094 0.000 1.042 1285 I CA -0.991 60.242 61.300 -0.112 0.000 1.067 1285 I CB 2.407 40.303 38.000 -0.174 0.000 1.233 1285 I HN 0.732 8.903 8.210 -0.064 0.000 0.431 1286 E N 5.940 126.091 120.200 -0.082 0.000 2.339 1286 E HA 0.556 5.011 4.350 -0.051 -0.135 0.262 1286 E C -0.623 175.948 176.600 -0.048 0.000 0.934 1286 E CA -2.691 53.677 56.400 -0.052 0.000 0.802 1286 E CB 3.527 33.211 29.700 -0.027 0.000 1.275 1286 E HN 0.568 8.880 8.360 -0.080 0.000 0.427 1287 N N -2.348 116.339 118.700 -0.022 0.000 2.741 1287 N HA -0.440 4.307 4.740 0.011 0.000 0.250 1287 N C -0.560 174.954 175.510 0.006 0.000 1.115 1287 N CA 0.932 53.984 53.050 0.002 0.000 0.724 1287 N CB -0.801 37.696 38.487 0.017 0.000 1.090 1287 N HN 0.431 8.801 8.380 -0.017 0.000 0.558 1288 L N -2.854 118.345 121.223 -0.041 0.000 2.461 1288 L HA -0.222 4.077 4.340 -0.067 0.000 0.272 1288 L C 0.609 177.535 176.870 0.094 0.000 1.197 1288 L CA 0.765 55.567 54.840 -0.064 0.000 0.836 1288 L CB 0.462 42.375 42.059 -0.243 0.000 1.105 1288 L HN -0.601 7.558 8.230 -0.061 0.034 0.477 1289 R N 1.599 122.256 120.500 0.262 0.000 2.489 1289 R HA -0.061 4.364 4.340 0.142 0.000 0.287 1289 R C -0.200 176.208 176.300 0.180 0.000 1.053 1289 R CA 0.136 56.363 56.100 0.211 0.000 1.036 1289 R CB 0.495 30.921 30.300 0.210 0.000 0.966 1289 R HN -0.230 8.304 8.270 0.440 0.000 0.432 1290 E N 4.113 124.375 120.200 0.103 0.000 2.414 1290 E HA -0.247 4.150 4.350 0.079 0.000 0.263 1290 E C 0.044 176.689 176.600 0.074 0.000 1.000 1290 E CA 1.292 57.739 56.400 0.078 0.000 0.914 1290 E CB 0.289 30.018 29.700 0.049 0.000 0.948 1290 E HN 0.164 8.575 8.360 0.085 0.000 0.444 1291 S N -1.264 114.477 115.700 0.068 0.000 3.587 1291 S HA -0.501 4.136 4.470 0.048 -0.139 0.337 1291 S C -1.138 173.491 174.600 0.049 0.000 1.119 1291 S CA 1.252 59.482 58.200 0.050 0.000 0.976 1291 S CB -0.959 62.259 63.200 0.030 0.000 0.922 1291 S HN 0.614 8.965 8.310 0.069 0.000 0.503 1292 Q N -0.915 118.938 119.800 0.088 0.000 2.333 1292 Q HA 0.507 4.844 4.340 -0.005 0.000 0.267 1292 Q C -2.188 173.859 176.000 0.080 0.000 1.012 1292 Q CA -3.279 52.548 55.803 0.039 0.000 0.824 1292 Q CB 1.662 30.398 28.738 -0.002 0.000 1.290 1292 Q HN -0.805 7.520 8.270 0.137 0.028 0.449 1293 P HA 0.034 4.673 4.420 0.101 -0.159 0.276 1293 P C -1.457 175.802 177.300 -0.068 0.000 1.230 1293 P CA -0.357 62.757 63.100 0.024 0.000 0.776 1293 P CB 0.382 32.069 31.700 -0.022 0.000 0.888 1294 Y N 1.785 122.070 120.300 -0.024 0.000 2.485 1294 Y HA 0.399 5.011 4.550 -0.124 -0.136 0.345 1294 Y C -0.955 174.851 175.900 -0.157 0.000 0.998 1294 Y CA -1.218 56.796 58.100 -0.142 0.000 1.059 1294 Y CB 4.621 42.888 38.460 -0.322 0.000 1.234 1294 Y HN 0.418 8.892 8.280 0.323 0.000 0.461 1295 R N 1.383 121.855 120.500 -0.047 0.000 2.297 1295 R HA 0.464 5.024 4.340 0.101 -0.159 0.308 1295 R C -1.651 174.589 176.300 -0.101 0.000 1.029 1295 R CA -1.277 54.822 56.100 -0.000 0.000 0.929 1295 R CB 2.324 32.623 30.300 -0.001 0.000 1.046 1295 R HN 0.280 8.508 8.270 -0.069 0.000 0.461 1296 Y N 5.733 126.160 120.300 0.211 0.000 2.393 1296 Y HA 0.745 5.605 4.550 0.230 -0.173 0.341 1296 Y C -0.385 175.584 175.900 0.116 0.000 0.988 1296 Y CA -1.892 56.338 58.100 0.216 0.000 1.078 1296 Y CB 3.485 42.136 38.460 0.319 0.000 1.203 1296 Y HN 0.677 9.219 8.280 0.436 0.000 0.453 1297 T N -2.034 112.629 114.554 0.181 0.000 2.906 1297 T HA 1.035 5.643 4.350 0.057 -0.224 0.295 1297 T C -1.147 173.512 174.700 -0.068 0.000 1.061 1297 T CA -2.722 59.406 62.100 0.047 0.000 1.000 1297 T CB 3.506 72.377 68.868 0.005 0.000 1.103 1297 T HN 0.764 9.109 8.240 0.175 0.000 0.486 1298 V N 1.939 121.757 119.914 -0.161 0.000 2.733 1298 V HA 0.836 5.003 4.120 -0.309 -0.232 0.306 1298 V C -1.924 174.073 176.094 -0.163 0.000 1.084 1298 V CA -1.358 60.744 62.300 -0.330 0.000 0.905 1298 V CB 3.613 34.946 31.823 -0.816 0.000 1.010 1298 V HN 0.284 8.403 8.190 -0.118 0.000 0.424 1299 K N 3.721 124.096 120.400 -0.042 0.000 2.444 1299 K HA 0.606 4.994 4.320 0.113 0.000 0.252 1299 K C -2.302 174.530 176.600 0.387 0.000 0.993 1299 K CA -2.509 53.861 56.287 0.139 0.000 0.847 1299 K CB 4.305 36.876 32.500 0.118 0.000 1.340 1299 K HN 0.159 8.380 8.250 -0.049 0.000 0.446 1300 A N -1.175 121.862 122.820 0.362 0.000 2.374 1300 A HA 0.784 5.282 4.320 0.056 -0.144 0.317 1300 A C -2.041 175.497 177.584 -0.078 0.000 1.094 1300 A CA -2.012 50.099 52.037 0.122 0.000 0.765 1300 A CB 3.851 22.869 19.000 0.030 0.000 1.268 1300 A HN 0.486 8.812 8.150 0.294 0.000 0.438 1301 R N 0.211 120.367 120.500 -0.573 0.000 2.637 1301 R HA 0.902 4.970 4.340 -0.791 -0.203 0.291 1301 R C -1.428 174.536 176.300 -0.559 0.000 0.963 1301 R CA -1.999 53.561 56.100 -0.901 0.000 0.901 1301 R CB 4.074 33.343 30.300 -1.718 0.000 1.160 1301 R HN 0.342 8.243 8.270 -0.615 0.000 0.457 1302 N N 3.453 121.888 118.700 -0.442 0.000 3.439 1302 N HA 0.482 5.107 4.740 -0.345 -0.092 0.343 1302 N C 1.147 176.466 175.510 -0.318 0.000 1.597 1302 N CA -1.449 51.395 53.050 -0.343 0.000 0.733 1302 N CB 1.398 39.719 38.487 -0.277 0.000 1.973 1302 N HN -0.055 8.073 8.380 -0.421 0.000 0.646 1303 G N -2.120 106.515 108.800 -0.275 0.000 2.448 1303 G HA2 -0.230 3.604 3.960 -0.211 0.000 0.219 1303 G HA3 -0.230 3.600 3.960 -0.217 0.000 0.219 1303 G C 0.358 175.145 174.900 -0.188 0.000 1.127 1303 G CA 1.898 46.864 45.100 -0.223 0.000 0.766 1303 G HN 0.014 8.342 8.290 -0.296 -0.216 0.552 1304 A N -0.942 121.769 122.820 -0.182 0.000 2.178 1304 A HA 0.010 4.261 4.320 -0.115 0.000 0.211 1304 A C -0.497 177.013 177.584 -0.123 0.000 1.157 1304 A CA 0.213 52.174 52.037 -0.128 0.000 0.780 1304 A CB 0.874 19.821 19.000 -0.089 0.000 0.828 1304 A HN -0.498 7.787 8.150 -0.199 -0.254 0.476 1305 G N -3.418 105.264 108.800 -0.198 0.000 2.316 1305 G HA2 -0.212 3.572 3.960 -0.292 0.000 0.349 1305 G HA3 -0.212 3.694 3.960 -0.089 0.000 0.349 1305 G C -2.872 171.868 174.900 -0.267 0.000 1.274 1305 G CA -0.788 44.185 45.100 -0.212 0.000 1.018 1305 G HN -0.688 7.396 8.290 -0.254 0.053 0.486 1306 W N 1.491 122.767 121.300 -0.040 0.000 2.316 1306 W HA 0.260 5.063 4.660 -0.048 -0.172 0.311 1306 W C 0.693 177.197 176.519 -0.026 0.000 1.217 1306 W CA 0.315 57.638 57.345 -0.038 0.000 1.199 1306 W CB 0.814 30.256 29.460 -0.031 0.000 1.202 1306 W HN 0.138 8.428 8.180 0.184 0.000 0.528 1307 G N 4.497 113.428 108.800 0.218 0.000 2.537 1307 G HA2 0.289 4.314 3.960 0.108 0.000 0.297 1307 G HA3 0.289 4.481 3.960 0.105 -0.168 0.297 1307 G C -2.451 172.532 174.900 0.138 0.000 1.310 1307 G CA -1.110 44.072 45.100 0.136 0.000 1.027 1307 G HN 0.393 8.815 8.290 0.221 0.000 0.505 1308 P HA 0.021 4.477 4.420 0.060 0.000 0.272 1308 P C -1.259 176.079 177.300 0.063 0.000 1.230 1308 P CA -0.424 62.717 63.100 0.068 0.000 0.788 1308 P CB 0.831 32.564 31.700 0.055 0.000 0.949 1309 E N -0.375 119.847 120.200 0.036 0.000 2.301 1309 E HA 0.106 4.633 4.350 0.010 -0.171 0.275 1309 E C -0.199 176.413 176.600 0.019 0.000 1.030 1309 E CA -0.435 55.974 56.400 0.014 0.000 0.852 1309 E CB 1.175 30.872 29.700 -0.006 0.000 1.060 1309 E HN 0.066 8.444 8.360 0.029 0.000 0.401 1310 R N 4.743 125.245 120.500 0.003 0.000 2.312 1310 R HA 0.183 4.543 4.340 0.034 0.000 0.311 1310 R C -1.833 174.485 176.300 0.029 0.000 1.004 1310 R CA -1.284 54.826 56.100 0.017 0.000 0.902 1310 R CB 1.729 32.032 30.300 0.006 0.000 1.073 1310 R HN 0.346 8.603 8.270 -0.021 0.000 0.457 1311 E N 6.616 126.853 120.200 0.063 0.000 2.227 1311 E HA 0.788 5.404 4.350 0.113 -0.199 0.268 1311 E C -1.477 175.212 176.600 0.148 0.000 0.907 1311 E CA -1.808 54.653 56.400 0.100 0.000 0.786 1311 E CB 3.127 32.871 29.700 0.074 0.000 1.191 1311 E HN 0.365 8.762 8.360 0.063 0.000 0.411 1312 A N 5.410 128.368 122.820 0.231 0.000 2.486 1312 A HA 0.542 4.970 4.320 0.180 0.000 0.300 1312 A C -2.473 175.267 177.584 0.260 0.000 1.048 1312 A CA -0.591 51.599 52.037 0.254 0.000 0.696 1312 A CB 3.663 22.899 19.000 0.393 0.000 1.278 1312 A HN 0.682 8.997 8.150 0.275 0.000 0.405 1313 I N 1.593 122.248 120.570 0.143 0.000 2.362 1313 I HA 0.812 5.288 4.170 0.169 -0.205 0.289 1313 I C -0.628 175.503 176.117 0.023 0.000 0.994 1313 I CA -0.721 60.645 61.300 0.110 0.000 1.158 1313 I CB 1.757 39.792 38.000 0.059 0.000 1.315 1313 I HN 0.128 8.401 8.210 0.105 0.000 0.451 1314 I N 6.230 126.819 120.570 0.032 0.000 2.686 1314 I HA 0.245 4.331 4.170 -0.140 0.000 0.295 1314 I C -2.578 173.553 176.117 0.024 0.000 1.114 1314 I CA -1.762 59.467 61.300 -0.119 0.000 1.038 1314 I CB 4.025 41.685 38.000 -0.567 0.000 1.238 1314 I HN 0.455 8.758 8.210 0.155 0.000 0.420 1315 N N 4.419 123.113 118.700 -0.009 0.000 2.443 1315 N HA 0.347 5.151 4.740 0.107 0.000 0.269 1315 N C 0.801 176.316 175.510 0.008 0.000 0.985 1315 N CA -1.416 51.660 53.050 0.042 0.000 0.921 1315 N CB 1.266 39.771 38.487 0.030 0.000 1.195 1315 N HN 0.571 8.925 8.380 -0.045 0.000 0.492 1316 L N 5.205 126.446 121.223 0.030 0.000 2.191 1316 L HA -0.252 4.071 4.340 -0.027 0.000 0.212 1316 L C 1.692 178.566 176.870 0.006 0.000 1.103 1316 L CA 2.915 57.756 54.840 0.003 0.000 0.769 1316 L CB -0.579 41.490 42.059 0.018 0.000 0.908 1316 L HN 0.902 9.175 8.230 0.072 0.000 0.438 1317 A N -1.123 121.708 122.820 0.019 0.000 1.940 1317 A HA -0.285 4.044 4.320 0.014 0.000 0.219 1317 A C 0.899 178.486 177.584 0.005 0.000 1.176 1317 A CA 2.527 54.572 52.037 0.014 0.000 0.631 1317 A CB -0.278 18.734 19.000 0.019 0.000 0.814 1317 A HN -0.370 8.024 8.150 0.031 -0.225 0.446 1318 T N -5.799 108.754 114.554 -0.002 0.000 3.148 1318 T HA -0.152 4.196 4.350 -0.002 0.000 0.253 1318 T C 0.763 175.457 174.700 -0.010 0.000 1.134 1318 T CA 0.183 62.279 62.100 -0.006 0.000 1.051 1318 T CB 0.330 69.192 68.868 -0.010 0.000 0.959 1318 T HN -0.615 7.608 8.240 -0.003 0.016 0.525 1319 Q N 2.105 121.897 119.800 -0.013 0.000 2.235 1319 Q HA 0.479 4.811 4.340 -0.013 0.000 0.256 1319 Q C -2.212 173.787 176.000 -0.002 0.000 0.951 1319 Q CA -3.179 52.617 55.803 -0.013 0.000 0.890 1319 Q CB -0.120 28.603 28.738 -0.025 0.000 1.279 1319 Q HN -0.570 7.518 8.270 -0.011 0.175 0.444 1320 P HA -0.102 4.321 4.420 0.004 0.000 0.268 1320 P C -1.473 175.830 177.300 0.006 0.000 1.205 1320 P CA 0.225 63.328 63.100 0.005 0.000 0.771 1320 P CB 0.408 32.112 31.700 0.007 0.000 0.858 1321 K N 1.283 121.685 120.400 0.004 0.000 2.159 1321 K HA 0.299 4.796 4.320 0.005 -0.175 0.266 1321 K C -0.348 176.254 176.600 0.002 0.000 0.975 1321 K CA -1.516 54.773 56.287 0.004 0.000 0.865 1321 K CB 1.669 34.170 32.500 0.003 0.000 1.087 1321 K HN -0.039 8.214 8.250 0.004 0.000 0.446 1322 R N 3.519 124.020 120.500 0.001 0.000 2.574 1322 R HA 0.464 4.803 4.340 -0.002 0.000 0.288 1322 R C -2.424 173.873 176.300 -0.005 0.000 1.004 1322 R CA -2.782 53.317 56.100 -0.002 0.000 0.895 1322 R CB 2.357 32.655 30.300 -0.003 0.000 1.191 1322 R HN 0.235 8.506 8.270 0.002 0.000 0.444 1323 P HA -0.036 4.380 4.420 -0.007 0.000 0.268 1323 P C -1.432 175.861 177.300 -0.011 0.000 1.208 1323 P CA 0.107 63.203 63.100 -0.007 0.000 0.777 1323 P CB 0.715 32.411 31.700 -0.007 0.000 0.875 1324 M N 1.221 120.813 119.600 -0.013 0.000 2.464 1324 M HA 0.269 4.738 4.480 -0.019 0.000 0.308 1324 M C -0.890 175.400 176.300 -0.017 0.000 1.127 1324 M CA -0.408 54.881 55.300 -0.017 0.000 0.913 1324 M CB 2.483 35.071 32.600 -0.021 0.000 1.689 1324 M HN -0.128 8.155 8.290 -0.012 0.000 0.445 1325 S N 4.311 120.000 115.700 -0.019 0.000 2.451 1325 S HA 0.271 4.732 4.470 -0.015 0.000 0.301 1325 S C -1.179 173.409 174.600 -0.020 0.000 1.116 1325 S CA -0.350 57.839 58.200 -0.017 0.000 1.093 1325 S CB 0.766 63.956 63.200 -0.016 0.000 1.017 1325 S HN 0.134 8.431 8.310 -0.021 0.000 0.482 1326 I N 5.243 125.802 120.570 -0.018 0.000 2.418 1326 I HA 0.332 4.489 4.170 -0.023 0.000 0.287 1326 I C -1.843 174.264 176.117 -0.016 0.000 1.008 1326 I CA -2.835 58.454 61.300 -0.019 0.000 1.104 1326 I CB 1.247 39.236 38.000 -0.018 0.000 1.264 1326 I HN 0.217 8.417 8.210 -0.015 0.000 0.438 1327 P HA 0.092 4.505 4.420 -0.013 0.000 0.268 1327 P C -1.365 175.928 177.300 -0.011 0.000 1.204 1327 P CA -0.342 62.750 63.100 -0.014 0.000 0.768 1327 P CB 0.765 32.455 31.700 -0.015 0.000 0.842 1328 I N 4.099 124.663 120.570 -0.009 0.000 2.227 1328 I HA 0.036 4.202 4.170 -0.006 0.000 0.297 1328 I C -0.453 175.660 176.117 -0.005 0.000 1.173 1328 I CA 0.240 61.536 61.300 -0.006 0.000 1.356 1328 I CB -1.201 36.796 38.000 -0.005 0.000 1.485 1328 I HN 0.138 8.343 8.210 -0.008 0.000 0.604 1329 I N 2.087 122.654 120.570 -0.006 0.000 3.074 1329 I HA 0.633 4.801 4.170 -0.004 0.000 0.310 1329 I C -2.598 173.518 176.117 -0.003 0.000 1.153 1329 I CA -3.814 57.484 61.300 -0.005 0.000 0.993 1329 I CB 0.755 38.751 38.000 -0.007 0.000 1.237 1329 I HN -0.461 7.745 8.210 -0.006 0.000 0.443 1330 P HA 0.008 4.429 4.420 0.003 0.000 0.272 1330 P C -1.502 175.800 177.300 0.003 0.000 1.230 1330 P CA 0.361 63.462 63.100 0.002 0.000 0.788 1330 P CB 0.315 32.017 31.700 0.003 0.000 0.949 1331 D N -3.253 117.151 120.400 0.006 0.000 3.041 1331 D HA -0.334 4.314 4.640 0.013 0.000 0.220 1331 D C -0.374 175.931 176.300 0.008 0.000 1.157 1331 D CA 0.765 54.771 54.000 0.010 0.000 0.876 1331 D CB -1.358 39.448 40.800 0.011 0.000 1.107 1331 D HN 0.140 8.515 8.370 0.007 0.000 0.422 1332 I N 0.545 121.117 120.570 0.003 0.000 2.741 1332 I HA -0.034 4.132 4.170 -0.006 0.000 0.288 1332 I C -1.181 174.938 176.117 0.004 0.000 1.192 1332 I CA -2.734 58.565 61.300 -0.002 0.000 1.426 1332 I CB -0.895 37.101 38.000 -0.006 0.000 1.367 1332 I HN -0.120 8.062 8.210 0.002 0.029 0.563 1333 P HA 0.216 4.651 4.420 0.026 0.000 0.252 1333 P C -2.143 175.163 177.300 0.010 0.000 1.727 1333 P CA -0.567 62.543 63.100 0.016 0.000 1.134 1333 P CB -1.748 29.964 31.700 0.021 0.000 1.876 1334 I N 2.372 122.948 120.570 0.010 0.000 2.474 1334 I HA 0.871 5.454 4.170 -0.007 -0.417 0.294 1334 I C -1.571 174.552 176.117 0.010 0.000 1.005 1334 I CA -2.570 58.730 61.300 0.001 0.000 1.113 1334 I CB 3.351 41.348 38.000 -0.006 0.000 1.289 1334 I HN -0.356 7.835 8.210 0.013 0.027 0.436 1335 V N 8.766 128.678 119.914 -0.003 0.000 2.417 1335 V HA 0.219 4.360 4.120 0.035 0.000 0.291 1335 V C -2.041 174.046 176.094 -0.012 0.000 1.024 1335 V CA -1.417 60.887 62.300 0.007 0.000 0.861 1335 V CB 3.284 35.099 31.823 -0.013 0.000 0.985 1335 V HN 0.733 8.910 8.190 -0.021 0.000 0.436 1336 D N 7.465 127.881 120.400 0.026 0.000 2.365 1336 D HA 0.118 4.880 4.640 0.007 -0.118 0.237 1336 D C 0.330 176.674 176.300 0.073 0.000 1.190 1336 D CA -0.844 53.174 54.000 0.031 0.000 0.867 1336 D CB 0.430 41.254 40.800 0.041 0.000 1.050 1336 D HN 0.447 8.844 8.370 0.045 0.000 0.491 1337 A N 6.848 129.691 122.820 0.038 0.000 2.209 1337 A HA 0.074 4.570 4.320 0.293 0.000 0.212 1337 A C 0.291 178.012 177.584 0.227 0.000 1.158 1337 A CA 1.277 53.401 52.037 0.144 0.000 0.742 1337 A CB 0.375 19.340 19.000 -0.058 0.000 0.790 1337 A HN 0.527 8.669 8.150 -0.014 0.000 0.472 1338 Q N -3.259 116.622 119.800 0.136 0.000 2.165 1338 Q HA 0.154 4.577 4.340 0.137 0.000 0.245 1338 Q C -0.721 175.330 176.000 0.085 0.000 0.841 1338 Q CA -1.169 54.704 55.803 0.116 0.000 1.078 1338 Q CB 0.659 29.453 28.738 0.092 0.000 1.169 1338 Q HN -0.243 8.314 8.270 0.099 -0.228 0.475 1339 S N 0.000 115.754 115.700 0.091 0.000 2.498 1339 S HA 0.000 4.502 4.470 0.053 0.000 0.327 1339 S CA 0.000 58.239 58.200 0.066 0.000 1.107 1339 S CB 0.000 63.238 63.200 0.063 0.000 0.593 1339 S HN 0.000 8.378 8.310 0.113 0.000 0.517