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 2dgz_1_A DATA FIRST_RESID 1133 DATA SEQUENCE GSSGSSGSSQ PVISAQEQET QIVLYGKLVE ARQKHANKMD VPPAILATNK DATA SEQUENCE ILVDMAKMRP TTVENVKRID GVSEGKAAML APLWEVIKHF CQTNSVQTDL DATA SEQUENCE FSSTKPQSGP SSG 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 1133 G HA2 0.000 nan 3.960 nan 0.000 0.244 1133 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1133 G C 0.000 174.900 174.900 0.000 0.000 0.946 1133 G CA 0.000 45.100 45.100 0.000 0.000 0.502 1134 S N -1.102 114.598 115.700 -0.000 0.000 2.661 1134 S HA 0.280 4.750 4.470 -0.000 0.000 0.285 1134 S C -1.401 173.199 174.600 -0.000 0.000 1.138 1134 S CA -0.528 57.672 58.200 -0.000 0.000 0.855 1134 S CB 2.158 65.358 63.200 0.000 0.000 1.136 1134 S HN -0.064 8.246 8.310 -0.000 0.000 0.484 1135 S N 1.574 117.274 115.700 -0.000 0.000 2.789 1135 S HA 0.227 4.697 4.470 -0.001 0.000 0.286 1135 S C 0.086 174.686 174.600 -0.001 0.000 1.153 1135 S CA 0.379 58.579 58.200 -0.001 0.000 1.084 1135 S CB 1.114 64.313 63.200 -0.001 0.000 1.036 1135 S HN 0.133 8.443 8.310 -0.000 0.000 0.484 1136 G N 2.694 111.493 108.800 -0.001 0.000 2.611 1136 G HA2 0.111 4.070 3.960 -0.001 0.000 0.273 1136 G HA3 0.111 4.070 3.960 -0.001 0.000 0.273 1136 G C -1.133 173.766 174.900 -0.001 0.000 1.305 1136 G CA -0.357 44.742 45.100 -0.001 0.000 1.010 1136 G HN -0.026 8.263 8.290 -0.001 0.000 0.509 1137 S N -2.026 113.673 115.700 -0.002 0.000 2.688 1137 S HA 0.382 4.850 4.470 -0.002 0.000 0.275 1137 S C -1.025 173.574 174.600 -0.003 0.000 1.175 1137 S CA -0.530 57.669 58.200 -0.002 0.000 0.818 1137 S CB 2.226 65.424 63.200 -0.002 0.000 1.157 1137 S HN 0.419 8.728 8.310 -0.002 0.000 0.482 1138 S N -0.771 114.927 115.700 -0.003 0.000 2.664 1138 S HA 0.682 5.149 4.470 -0.004 0.000 0.304 1138 S C -0.847 173.751 174.600 -0.004 0.000 1.099 1138 S CA -0.664 57.534 58.200 -0.004 0.000 1.003 1138 S CB 1.163 64.360 63.200 -0.004 0.000 1.092 1138 S HN 0.545 8.853 8.310 -0.003 0.000 0.525 1139 G N 1.090 109.886 108.800 -0.005 0.000 2.705 1139 G HA2 0.367 4.324 3.960 -0.005 0.000 0.299 1139 G HA3 0.367 4.323 3.960 -0.006 0.000 0.299 1139 G C -1.660 173.236 174.900 -0.007 0.000 1.315 1139 G CA -0.997 44.100 45.100 -0.006 0.000 1.045 1139 G HN 0.682 8.969 8.290 -0.006 0.000 0.517 1140 S N -1.214 114.482 115.700 -0.008 0.000 2.641 1140 S HA 0.067 4.533 4.470 -0.008 0.000 0.261 1140 S C -0.824 173.770 174.600 -0.010 0.000 1.257 1140 S CA -0.200 57.995 58.200 -0.009 0.000 0.983 1140 S CB 0.863 64.058 63.200 -0.009 0.000 0.990 1140 S HN -0.043 8.262 8.310 -0.008 0.000 0.572 1141 S N -0.326 115.367 115.700 -0.011 0.000 2.619 1141 S HA 0.175 4.636 4.470 -0.015 0.000 0.280 1141 S C -1.107 173.484 174.600 -0.014 0.000 1.150 1141 S CA -0.582 57.610 58.200 -0.013 0.000 0.978 1141 S CB 1.314 64.507 63.200 -0.013 0.000 1.041 1141 S HN -0.079 8.225 8.310 -0.010 0.000 0.485 1142 Q N 5.371 125.161 119.800 -0.017 0.000 2.299 1142 Q HA 0.295 4.626 4.340 -0.015 0.000 0.246 1142 Q C -1.747 174.242 176.000 -0.017 0.000 0.935 1142 Q CA -1.613 54.180 55.803 -0.018 0.000 0.887 1142 Q CB -0.750 27.975 28.738 -0.021 0.000 1.223 1142 Q HN 0.169 8.428 8.270 -0.019 0.000 0.439 1143 P HA 0.040 4.452 4.420 -0.013 0.000 0.272 1143 P C -0.545 176.745 177.300 -0.016 0.000 1.223 1143 P CA -0.671 62.420 63.100 -0.014 0.000 0.784 1143 P CB 0.420 32.114 31.700 -0.011 0.000 0.923 1144 V N -1.656 118.249 119.914 -0.015 0.000 3.209 1144 V HA -0.169 3.939 4.120 -0.021 0.000 0.305 1144 V C -0.593 175.492 176.094 -0.015 0.000 1.127 1144 V CA 0.410 62.700 62.300 -0.017 0.000 1.235 1144 V CB 0.622 32.437 31.823 -0.013 0.000 0.987 1144 V HN -0.149 8.033 8.190 -0.013 0.000 0.499 1145 I N 3.177 123.737 120.570 -0.017 0.000 2.428 1145 I HA 0.051 4.213 4.170 -0.013 0.000 0.289 1145 I C -0.134 175.979 176.117 -0.006 0.000 1.019 1145 I CA -0.812 60.480 61.300 -0.013 0.000 1.351 1145 I CB 0.491 38.481 38.000 -0.016 0.000 1.412 1145 I HN -0.108 8.089 8.210 -0.020 0.000 0.513 1146 S N 6.815 122.513 115.700 -0.002 0.000 2.544 1146 S HA -0.133 4.338 4.470 0.001 0.000 0.290 1146 S C 1.076 175.680 174.600 0.007 0.000 1.276 1146 S CA 0.253 58.454 58.200 0.002 0.000 1.075 1146 S CB 1.085 64.287 63.200 0.002 0.000 0.849 1146 S HN 0.113 8.420 8.310 -0.004 0.000 0.494 1147 A N 6.930 129.755 122.820 0.009 0.000 2.023 1147 A HA -0.360 3.969 4.320 0.016 0.000 0.223 1147 A C 2.586 180.182 177.584 0.021 0.000 1.180 1147 A CA 3.170 55.216 52.037 0.015 0.000 0.659 1147 A CB -0.527 18.481 19.000 0.014 0.000 0.817 1147 A HN 0.758 8.911 8.150 0.006 0.000 0.466 1148 Q N -1.701 118.109 119.800 0.017 0.000 2.047 1148 Q HA -0.433 3.919 4.340 0.020 0.000 0.211 1148 Q C 2.115 178.133 176.000 0.029 0.000 1.005 1148 Q CA 3.783 59.598 55.803 0.020 0.000 0.866 1148 Q CB -0.499 28.247 28.738 0.013 0.000 0.938 1148 Q HN 0.459 8.708 8.270 0.013 0.028 0.414 1149 E N -4.414 115.803 120.200 0.028 0.000 2.201 1149 E HA -0.061 4.320 4.350 0.052 0.000 0.193 1149 E C 2.002 178.627 176.600 0.042 0.000 0.957 1149 E CA 0.951 57.374 56.400 0.039 0.000 0.858 1149 E CB -0.208 29.508 29.700 0.027 0.000 0.816 1149 E HN -0.497 7.875 8.360 0.019 0.000 0.475 1150 Q N 1.270 121.085 119.800 0.025 0.000 2.047 1150 Q HA -0.475 3.869 4.340 0.007 0.000 0.211 1150 Q C 1.858 177.878 176.000 0.032 0.000 1.005 1150 Q CA 3.752 59.565 55.803 0.017 0.000 0.866 1150 Q CB -0.145 28.597 28.738 0.006 0.000 0.938 1150 Q HN 0.411 8.600 8.270 0.018 0.092 0.414 1151 E N -1.953 118.272 120.200 0.042 0.000 2.048 1151 E HA -0.383 3.996 4.350 0.048 0.000 0.202 1151 E C 2.152 178.809 176.600 0.094 0.000 1.021 1151 E CA 3.404 59.840 56.400 0.059 0.000 0.825 1151 E CB -0.293 29.443 29.700 0.059 0.000 0.756 1151 E HN -0.575 7.700 8.360 0.036 0.107 0.454 1152 T N 1.402 116.032 114.554 0.127 0.000 2.685 1152 T HA -0.468 4.080 4.350 0.330 0.000 0.268 1152 T C 2.476 177.272 174.700 0.161 0.000 1.034 1152 T CA 4.857 67.092 62.100 0.226 0.000 1.149 1152 T CB -0.417 68.586 68.868 0.226 0.000 0.860 1152 T HN 0.021 8.323 8.240 0.102 0.000 0.449 1153 Q N 0.942 120.797 119.800 0.092 0.000 2.119 1153 Q HA -0.281 4.088 4.340 0.050 0.000 0.201 1153 Q C 2.638 178.661 176.000 0.038 0.000 0.972 1153 Q CA 3.366 59.198 55.803 0.048 0.000 0.847 1153 Q CB 0.006 28.757 28.738 0.022 0.000 0.903 1153 Q HN -0.330 7.900 8.270 0.083 0.090 0.433 1154 I N 0.608 121.202 120.570 0.039 0.000 2.142 1154 I HA -0.496 3.707 4.170 0.056 0.000 0.240 1154 I C 1.868 178.018 176.117 0.055 0.000 1.078 1154 I CA 4.158 65.489 61.300 0.051 0.000 1.343 1154 I CB -0.282 37.741 38.000 0.039 0.000 1.046 1154 I HN 0.102 8.242 8.210 0.043 0.096 0.405 1155 V N -0.976 118.956 119.914 0.029 0.000 2.343 1155 V HA -0.396 3.730 4.120 0.011 0.000 0.247 1155 V C 2.229 178.204 176.094 -0.198 0.000 1.051 1155 V CA 3.341 65.633 62.300 -0.014 0.000 1.036 1155 V CB -1.023 30.855 31.823 0.090 0.000 0.654 1155 V HN -0.047 8.177 8.190 0.057 0.000 0.451 1156 L N 0.011 121.014 121.223 -0.367 0.000 1.988 1156 L HA -0.317 3.416 4.340 -1.012 0.000 0.207 1156 L C 1.246 177.977 176.870 -0.232 0.000 1.071 1156 L CA 2.959 57.429 54.840 -0.616 0.000 0.744 1156 L CB -0.764 40.943 42.059 -0.587 0.000 0.893 1156 L HN -0.278 7.820 8.230 -0.220 0.000 0.433 1157 Y N -0.423 119.769 120.300 -0.180 0.000 2.062 1157 Y HA -0.532 3.968 4.550 -0.083 0.000 0.273 1157 Y C 1.779 177.624 175.900 -0.091 0.000 1.206 1157 Y CA 3.347 61.387 58.100 -0.100 0.000 1.125 1157 Y CB -0.586 37.837 38.460 -0.061 0.000 0.951 1157 Y HN 0.478 8.687 8.280 0.064 0.110 0.501 1158 G N -4.166 104.559 108.800 -0.125 0.000 2.469 1158 G HA2 -0.498 3.301 3.960 -0.269 0.000 0.219 1158 G HA3 -0.498 3.411 3.960 -0.085 0.000 0.219 1158 G C 1.085 175.857 174.900 -0.213 0.000 1.150 1158 G CA 2.139 47.126 45.100 -0.188 0.000 0.763 1158 G HN -0.286 8.030 8.290 0.041 -0.002 0.561 1159 K N 2.150 122.436 120.400 -0.191 0.000 2.026 1159 K HA -0.319 3.929 4.320 -0.120 0.000 0.208 1159 K C 2.468 178.970 176.600 -0.163 0.000 1.048 1159 K CA 2.912 59.103 56.287 -0.160 0.000 0.929 1159 K CB -0.314 32.081 32.500 -0.175 0.000 0.713 1159 K HN -0.296 7.728 8.250 -0.202 0.105 0.439 1160 L N -0.723 120.384 121.223 -0.195 0.000 1.989 1160 L HA -0.381 3.893 4.340 -0.110 0.000 0.211 1160 L C 2.048 178.800 176.870 -0.197 0.000 1.071 1160 L CA 3.293 58.035 54.840 -0.163 0.000 0.749 1160 L CB -0.340 41.640 42.059 -0.132 0.000 0.890 1160 L HN -0.384 7.716 8.230 -0.217 0.000 0.431 1161 V N -1.308 118.405 119.914 -0.336 0.000 2.278 1161 V HA -0.645 3.321 4.120 -0.256 0.000 0.251 1161 V C 2.015 178.008 176.094 -0.168 0.000 1.062 1161 V CA 4.910 67.029 62.300 -0.301 0.000 1.038 1161 V CB -0.745 30.822 31.823 -0.427 0.000 0.646 1161 V HN 0.082 7.982 8.190 -0.483 0.000 0.447 1162 E N -1.550 118.559 120.200 -0.151 0.000 2.058 1162 E HA -0.452 3.847 4.350 -0.084 0.000 0.194 1162 E C 2.280 178.835 176.600 -0.075 0.000 0.997 1162 E CA 3.133 59.475 56.400 -0.097 0.000 0.801 1162 E CB -0.493 29.155 29.700 -0.086 0.000 0.746 1162 E HN -0.650 7.598 8.360 -0.183 0.002 0.450 1163 A N -0.644 122.126 122.820 -0.082 0.000 1.858 1163 A HA -0.295 3.984 4.320 -0.067 0.000 0.216 1163 A C 1.977 179.549 177.584 -0.020 0.000 1.190 1163 A CA 3.091 55.088 52.037 -0.066 0.000 0.617 1163 A CB -0.817 18.130 19.000 -0.088 0.000 0.827 1163 A HN -0.344 7.670 8.150 -0.102 0.075 0.443 1164 R N -1.237 119.247 120.500 -0.026 0.000 2.113 1164 R HA -0.530 3.844 4.340 0.056 0.000 0.244 1164 R C 1.941 178.246 176.300 0.008 0.000 1.142 1164 R CA 3.421 59.524 56.100 0.005 0.000 0.953 1164 R CB -0.317 29.965 30.300 -0.031 0.000 0.860 1164 R HN 0.023 8.257 8.270 -0.060 0.000 0.438 1165 Q N -0.599 119.188 119.800 -0.020 0.000 1.921 1165 Q HA -0.417 3.909 4.340 -0.023 0.000 0.208 1165 Q C 1.928 177.929 176.000 0.002 0.000 0.994 1165 Q CA 3.467 59.258 55.803 -0.019 0.000 0.857 1165 Q CB -0.074 28.645 28.738 -0.032 0.000 0.925 1165 Q HN -0.298 7.942 8.270 -0.042 0.004 0.421 1166 K N -2.808 117.593 120.400 0.001 0.000 2.228 1166 K HA -0.417 3.904 4.320 0.002 0.000 0.205 1166 K C 2.866 179.503 176.600 0.063 0.000 1.045 1166 K CA 2.826 59.119 56.287 0.010 0.000 0.931 1166 K CB -0.538 31.953 32.500 -0.015 0.000 0.727 1166 K HN -0.538 7.703 8.250 -0.015 0.000 0.458 1167 H N -0.074 118.959 119.070 -0.061 0.000 2.465 1167 H HA -0.016 4.503 4.556 -0.062 0.000 0.289 1167 H C 1.317 176.616 175.328 -0.049 0.000 1.022 1167 H CA 0.912 56.922 56.048 -0.062 0.000 1.340 1167 H CB 0.270 29.984 29.762 -0.079 0.000 1.437 1167 H HN -0.154 8.051 8.280 0.115 0.144 0.539 1168 A N 0.233 123.033 122.820 -0.035 0.000 1.865 1168 A HA -0.428 3.784 4.320 -0.179 0.000 0.217 1168 A C 1.807 179.350 177.584 -0.068 0.000 1.191 1168 A CA 3.718 55.696 52.037 -0.098 0.000 0.623 1168 A CB -0.632 18.333 19.000 -0.059 0.000 0.826 1168 A HN 0.485 8.425 8.150 0.016 0.220 0.444 1169 N N -2.388 116.297 118.700 -0.026 0.000 2.120 1169 N HA -0.313 4.413 4.740 -0.024 0.000 0.188 1169 N C 2.806 178.311 175.510 -0.010 0.000 1.024 1169 N CA 3.329 56.368 53.050 -0.017 0.000 0.852 1169 N CB -0.118 38.365 38.487 -0.007 0.000 1.003 1169 N HN -0.451 7.921 8.380 -0.013 0.000 0.424 1170 K N 1.396 121.807 120.400 0.018 0.000 2.034 1170 K HA -0.230 4.105 4.320 0.026 0.000 0.214 1170 K C 1.262 177.867 176.600 0.008 0.000 1.051 1170 K CA 2.616 58.926 56.287 0.040 0.000 0.931 1170 K CB -0.475 32.104 32.500 0.132 0.000 0.715 1170 K HN -0.768 7.504 8.250 0.037 0.000 0.446 1171 M N -4.293 115.282 119.600 -0.042 0.000 2.619 1171 M HA -0.110 4.349 4.480 -0.035 0.000 0.251 1171 M C -1.012 175.255 176.300 -0.055 0.000 1.106 1171 M CA 1.086 56.343 55.300 -0.071 0.000 1.086 1171 M CB 0.540 33.039 32.600 -0.167 0.000 1.465 1171 M HN -0.628 7.616 8.290 -0.076 0.000 0.506 1172 D N -4.424 115.949 120.400 -0.045 0.000 2.835 1172 D HA -0.353 4.333 4.640 -0.028 -0.063 0.230 1172 D C -0.947 175.328 176.300 -0.041 0.000 1.130 1172 D CA 1.250 55.230 54.000 -0.034 0.000 0.738 1172 D CB -2.406 38.380 40.800 -0.024 0.000 1.090 1172 D HN -0.127 7.981 8.370 -0.041 0.237 0.433 1173 V N -7.525 112.355 119.914 -0.057 0.000 2.735 1173 V HA 0.498 4.593 4.120 -0.041 0.000 0.310 1173 V C -2.903 173.161 176.094 -0.050 0.000 1.061 1173 V CA -3.566 58.701 62.300 -0.055 0.000 0.913 1173 V CB 2.121 33.901 31.823 -0.073 0.000 1.005 1173 V HN -0.265 7.782 8.190 -0.069 0.102 0.428 1174 P HA 0.069 4.474 4.420 -0.025 0.000 0.263 1174 P C -1.035 176.245 177.300 -0.033 0.000 1.175 1174 P CA -0.602 62.481 63.100 -0.029 0.000 0.761 1174 P CB -0.492 31.195 31.700 -0.021 0.000 0.794 1175 P HA -0.280 4.118 4.420 -0.036 0.000 0.219 1175 P C 0.512 177.799 177.300 -0.023 0.000 1.144 1175 P CA 2.770 65.853 63.100 -0.028 0.000 0.806 1175 P CB 0.114 31.801 31.700 -0.022 0.000 0.771 1176 A N -6.424 116.387 122.820 -0.016 0.000 1.956 1176 A HA -0.044 4.275 4.320 -0.002 0.000 0.212 1176 A C 0.872 178.450 177.584 -0.010 0.000 1.188 1176 A CA 1.480 53.513 52.037 -0.007 0.000 0.675 1176 A CB -0.031 18.968 19.000 -0.001 0.000 0.845 1176 A HN -0.117 7.968 8.150 -0.017 0.055 0.455 1177 I N -1.693 118.866 120.570 -0.019 0.000 2.163 1177 I HA -0.370 3.792 4.170 -0.013 0.000 0.243 1177 I C 1.706 177.805 176.117 -0.030 0.000 1.085 1177 I CA 1.557 62.844 61.300 -0.022 0.000 1.347 1177 I CB -0.410 37.573 38.000 -0.029 0.000 1.044 1177 I HN -0.605 7.491 8.210 -0.021 0.101 0.408 1178 L N -2.678 118.514 121.223 -0.050 0.000 1.963 1178 L HA -0.360 3.926 4.340 -0.089 0.000 0.220 1178 L C -1.385 175.466 176.870 -0.031 0.000 1.076 1178 L CA 2.980 57.777 54.840 -0.071 0.000 0.772 1178 L CB 0.450 42.443 42.059 -0.110 0.000 0.892 1178 L HN -0.596 7.602 8.230 -0.054 0.000 0.435 1179 A N -8.824 113.988 122.820 -0.013 0.000 2.456 1179 A HA 0.248 4.581 4.320 0.021 0.000 0.288 1179 A C -2.022 175.576 177.584 0.022 0.000 1.042 1179 A CA -0.818 51.227 52.037 0.014 0.000 0.738 1179 A CB 1.621 20.638 19.000 0.027 0.000 1.266 1179 A HN -0.814 7.324 8.150 -0.020 0.000 0.407 1180 T N 2.226 116.799 114.554 0.032 0.000 2.899 1180 T HA -0.022 4.347 4.350 0.032 0.000 0.295 1180 T C 1.423 176.161 174.700 0.063 0.000 1.033 1180 T CA -1.566 60.557 62.100 0.038 0.000 1.084 1180 T CB 1.506 70.394 68.868 0.032 0.000 0.979 1180 T HN 0.134 8.393 8.240 0.032 0.000 0.532 1181 N N 5.001 123.748 118.700 0.077 0.000 2.132 1181 N HA -0.425 4.429 4.740 0.189 0.000 0.191 1181 N C 1.718 177.290 175.510 0.104 0.000 1.015 1181 N CA 4.162 57.289 53.050 0.127 0.000 0.864 1181 N CB -0.113 38.442 38.487 0.113 0.000 1.006 1181 N HN 0.469 8.886 8.380 0.062 0.000 0.430 1182 K N -0.164 120.272 120.400 0.061 0.000 2.044 1182 K HA -0.288 4.048 4.320 0.028 0.000 0.210 1182 K C 2.234 178.869 176.600 0.058 0.000 1.049 1182 K CA 2.779 59.092 56.287 0.043 0.000 0.927 1182 K CB -0.415 32.103 32.500 0.031 0.000 0.713 1182 K HN -0.696 7.570 8.250 0.052 0.015 0.443 1183 I N -0.864 119.749 120.570 0.071 0.000 2.163 1183 I HA -0.385 3.832 4.170 0.077 0.000 0.240 1183 I C 2.220 178.403 176.117 0.110 0.000 1.081 1183 I CA 3.705 65.055 61.300 0.084 0.000 1.353 1183 I CB 0.153 38.202 38.000 0.080 0.000 1.054 1183 I HN -0.222 7.930 8.210 0.066 0.098 0.407 1184 L N -0.693 120.611 121.223 0.134 0.000 2.013 1184 L HA -0.470 3.955 4.340 0.141 0.000 0.212 1184 L C 2.434 179.448 176.870 0.239 0.000 1.073 1184 L CA 3.406 58.359 54.840 0.188 0.000 0.753 1184 L CB -0.862 41.332 42.059 0.225 0.000 0.890 1184 L HN -0.632 7.670 8.230 0.121 0.000 0.432 1185 V N -0.691 119.338 119.914 0.191 0.000 2.252 1185 V HA -0.621 3.502 4.120 0.006 0.000 0.249 1185 V C 1.998 178.117 176.094 0.043 0.000 1.056 1185 V CA 4.732 67.062 62.300 0.050 0.000 1.022 1185 V CB -0.504 31.291 31.823 -0.046 0.000 0.641 1185 V HN 0.375 8.675 8.190 0.183 0.000 0.445 1186 D N -0.488 119.938 120.400 0.045 0.000 2.092 1186 D HA -0.351 4.284 4.640 -0.009 0.000 0.193 1186 D C 2.532 178.863 176.300 0.052 0.000 0.994 1186 D CA 3.723 57.739 54.000 0.027 0.000 0.828 1186 D CB -0.269 40.552 40.800 0.035 0.000 0.963 1186 D HN -0.731 7.671 8.370 0.054 0.000 0.450 1187 M N -1.199 118.463 119.600 0.104 0.000 2.149 1187 M HA -0.428 4.148 4.480 0.160 0.000 0.261 1187 M C 2.410 178.784 176.300 0.123 0.000 1.064 1187 M CA 3.827 59.211 55.300 0.140 0.000 1.102 1187 M CB -0.011 32.687 32.600 0.163 0.000 1.369 1187 M HN -0.038 8.319 8.290 0.112 0.000 0.408 1188 A N -3.789 119.100 122.820 0.115 0.000 2.119 1188 A HA -0.272 4.104 4.320 0.094 0.000 0.217 1188 A C 0.731 178.352 177.584 0.061 0.000 1.153 1188 A CA 2.343 54.440 52.037 0.100 0.000 0.692 1188 A CB -0.806 18.284 19.000 0.150 0.000 0.799 1188 A HN 0.198 8.314 8.150 0.129 0.111 0.458 1189 K N -1.582 118.835 120.400 0.030 0.000 2.078 1189 K HA -0.116 4.204 4.320 -0.000 0.000 0.203 1189 K C 2.193 178.776 176.600 -0.028 0.000 1.043 1189 K CA 2.690 58.971 56.287 -0.010 0.000 0.960 1189 K CB 0.266 32.738 32.500 -0.046 0.000 0.761 1189 K HN -0.398 7.686 8.250 0.034 0.187 0.448 1190 M N -3.354 116.207 119.600 -0.065 0.000 2.349 1190 M HA -0.183 4.172 4.480 -0.208 0.000 0.266 1190 M C -0.087 176.264 176.300 0.086 0.000 1.076 1190 M CA 2.930 58.148 55.300 -0.135 0.000 1.126 1190 M CB 0.738 33.087 32.600 -0.418 0.000 1.392 1190 M HN 0.094 8.354 8.290 -0.050 0.000 0.440 1191 R N -5.491 115.090 120.500 0.134 0.000 3.264 1191 R HA -0.299 4.271 4.340 0.183 -0.120 0.251 1191 R C -2.847 173.592 176.300 0.232 0.000 0.971 1191 R CA -0.190 56.021 56.100 0.185 0.000 0.658 1191 R CB -2.252 28.153 30.300 0.175 0.000 1.095 1191 R HN -0.276 7.930 8.270 0.105 0.128 0.443 1192 P HA 0.039 4.593 4.420 0.224 0.000 0.271 1192 P C -0.685 176.681 177.300 0.110 0.000 1.226 1192 P CA 0.040 63.269 63.100 0.215 0.000 0.765 1192 P CB 0.488 32.321 31.700 0.222 0.000 0.835 1193 T N -4.278 110.285 114.554 0.015 0.000 3.037 1193 T HA -0.028 4.416 4.350 0.155 0.000 0.252 1193 T C -0.620 173.916 174.700 -0.273 0.000 1.073 1193 T CA 0.402 62.506 62.100 0.007 0.000 1.091 1193 T CB 0.492 69.390 68.868 0.049 0.000 0.935 1193 T HN -0.026 8.212 8.240 -0.002 0.000 0.488 1194 T N -1.898 112.417 114.554 -0.398 0.000 2.824 1194 T HA 0.275 4.259 4.350 -0.610 0.000 0.280 1194 T C 0.699 174.882 174.700 -0.862 0.000 0.995 1194 T CA -2.137 59.617 62.100 -0.575 0.000 1.009 1194 T CB 2.782 71.444 68.868 -0.343 0.000 0.955 1194 T HN -0.768 7.299 8.240 -0.288 0.000 0.452 1195 V N 5.284 124.470 119.914 -1.213 0.000 2.546 1195 V HA -0.446 2.723 4.120 -1.586 0.000 0.254 1195 V C 0.709 176.496 176.094 -0.511 0.000 1.076 1195 V CA 3.796 65.397 62.300 -1.166 0.000 1.087 1195 V CB 0.043 31.360 31.823 -0.844 0.000 0.674 1195 V HN 0.769 8.296 8.190 -1.105 0.000 0.470 1196 E N -1.742 118.215 120.200 -0.404 0.000 2.038 1196 E HA -0.306 3.918 4.350 -0.210 0.000 0.195 1196 E C 2.886 179.299 176.600 -0.312 0.000 1.000 1196 E CA 3.527 59.758 56.400 -0.281 0.000 0.803 1196 E CB -0.965 28.588 29.700 -0.245 0.000 0.750 1196 E HN 0.489 8.557 8.360 -0.432 0.033 0.448 1197 N N -1.423 117.014 118.700 -0.438 0.000 2.188 1197 N HA -0.231 4.054 4.740 -0.759 0.000 0.184 1197 N C 2.057 177.397 175.510 -0.283 0.000 1.018 1197 N CA 2.566 55.223 53.050 -0.654 0.000 0.858 1197 N CB -0.104 37.791 38.487 -0.986 0.000 0.989 1197 N HN -0.902 7.209 8.380 -0.448 0.000 0.426 1198 V N 0.637 120.443 119.914 -0.179 0.000 2.287 1198 V HA -0.535 3.668 4.120 0.139 0.000 0.248 1198 V C 2.029 178.154 176.094 0.052 0.000 1.053 1198 V CA 4.513 66.823 62.300 0.018 0.000 1.027 1198 V CB -0.387 31.458 31.823 0.037 0.000 0.646 1198 V HN -0.299 7.611 8.190 -0.316 0.090 0.447 1199 K N -2.191 118.199 120.400 -0.017 0.000 2.113 1199 K HA -0.320 4.029 4.320 0.048 0.000 0.208 1199 K C 1.238 177.863 176.600 0.041 0.000 1.047 1199 K CA 3.180 59.476 56.287 0.015 0.000 0.928 1199 K CB -0.366 32.121 32.500 -0.022 0.000 0.716 1199 K HN -0.364 7.828 8.250 -0.096 0.000 0.446 1200 R N -4.565 115.961 120.500 0.043 0.000 2.189 1200 R HA -0.235 4.149 4.340 0.073 0.000 0.223 1200 R C 0.718 177.114 176.300 0.160 0.000 1.092 1200 R CA 0.476 56.641 56.100 0.108 0.000 0.989 1200 R CB -0.102 30.292 30.300 0.157 0.000 0.876 1200 R HN -0.742 7.403 8.270 -0.014 0.116 0.457 1201 I N -1.854 118.823 120.570 0.179 0.000 3.003 1201 I HA -0.353 3.912 4.170 0.159 0.000 0.294 1201 I C 0.321 176.496 176.117 0.096 0.000 1.237 1201 I CA 0.169 61.560 61.300 0.152 0.000 1.417 1201 I CB -0.338 37.755 38.000 0.155 0.000 1.340 1201 I HN -0.312 7.820 8.210 0.171 0.181 0.594 1202 D N 5.224 125.667 120.400 0.072 0.000 2.350 1202 D HA -0.060 4.610 4.640 0.050 0.000 0.249 1202 D C 0.553 176.883 176.300 0.051 0.000 1.119 1202 D CA 0.944 54.975 54.000 0.051 0.000 0.886 1202 D CB 1.717 42.538 40.800 0.034 0.000 1.195 1202 D HN 0.070 8.479 8.370 0.066 0.000 0.437 1203 G N 3.754 112.581 108.800 0.044 0.000 2.358 1203 G HA2 -0.382 3.599 3.960 0.034 0.000 0.224 1203 G HA3 -0.382 3.604 3.960 0.043 0.000 0.224 1203 G C -1.070 173.858 174.900 0.046 0.000 1.073 1203 G CA 0.167 45.292 45.100 0.042 0.000 0.635 1203 G HN 0.317 8.631 8.290 0.040 0.000 0.509 1204 V N 1.696 121.646 119.914 0.060 0.000 2.572 1204 V HA -0.021 4.136 4.120 0.061 0.000 0.291 1204 V C -0.583 175.544 176.094 0.054 0.000 1.039 1204 V CA 0.107 62.446 62.300 0.065 0.000 1.055 1204 V CB 0.950 32.827 31.823 0.089 0.000 0.969 1204 V HN -0.582 7.555 8.190 0.066 0.092 0.482 1205 S N 6.814 122.543 115.700 0.048 0.000 2.578 1205 S HA 0.056 4.547 4.470 0.035 0.000 0.283 1205 S C -0.541 174.084 174.600 0.041 0.000 1.195 1205 S CA -1.474 56.749 58.200 0.038 0.000 1.050 1205 S CB 1.576 64.794 63.200 0.030 0.000 1.012 1205 S HN -0.018 8.321 8.310 0.049 0.000 0.511 1206 E N 4.910 125.130 120.200 0.033 0.000 2.708 1206 E HA -0.347 4.021 4.350 0.029 0.000 0.260 1206 E C 1.239 177.860 176.600 0.035 0.000 0.937 1206 E CA 1.332 57.750 56.400 0.030 0.000 0.953 1206 E CB 0.519 30.231 29.700 0.020 0.000 0.915 1206 E HN 0.444 8.821 8.360 0.028 0.000 0.487 1207 G N 7.710 116.536 108.800 0.043 0.000 3.329 1207 G HA2 -0.462 3.530 3.960 0.053 0.000 0.220 1207 G HA3 -0.462 3.523 3.960 0.042 0.000 0.220 1207 G C 0.593 175.538 174.900 0.074 0.000 1.358 1207 G CA 0.572 45.704 45.100 0.052 0.000 0.856 1207 G HN 0.435 8.748 8.290 0.039 0.000 0.551 1208 K N 3.897 124.336 120.400 0.064 0.000 2.071 1208 K HA -0.484 3.871 4.320 0.059 0.000 0.217 1208 K C 1.663 178.332 176.600 0.114 0.000 1.054 1208 K CA 2.886 59.215 56.287 0.071 0.000 0.937 1208 K CB -0.075 32.458 32.500 0.055 0.000 0.719 1208 K HN -0.380 7.826 8.250 0.051 0.074 0.454 1209 A N -2.324 120.580 122.820 0.140 0.000 1.944 1209 A HA -0.412 4.051 4.320 0.238 0.000 0.222 1209 A C 1.963 179.766 177.584 0.366 0.000 1.237 1209 A CA 2.760 54.940 52.037 0.238 0.000 0.668 1209 A CB -0.852 18.264 19.000 0.193 0.000 0.830 1209 A HN -0.616 7.600 8.150 0.109 -0.001 0.471 1210 A N -0.745 122.250 122.820 0.293 0.000 1.863 1210 A HA -0.424 4.214 4.320 0.529 0.000 0.218 1210 A C 1.968 179.662 177.584 0.184 0.000 1.233 1210 A CA 2.953 55.179 52.037 0.315 0.000 0.655 1210 A CB -0.926 18.184 19.000 0.183 0.000 0.839 1210 A HN 0.183 8.358 8.150 0.202 0.096 0.454 1211 M N -3.840 115.833 119.600 0.122 0.000 2.255 1211 M HA -0.328 4.212 4.480 0.099 0.000 0.259 1211 M C 1.081 177.446 176.300 0.109 0.000 1.071 1211 M CA 2.982 58.343 55.300 0.103 0.000 1.074 1211 M CB -0.503 32.139 32.600 0.071 0.000 1.384 1211 M HN -0.526 7.835 8.290 0.119 0.000 0.415 1212 L N -1.853 119.411 121.223 0.069 0.000 2.715 1212 L HA 0.209 4.591 4.340 0.071 0.000 0.238 1212 L C 0.603 177.237 176.870 -0.393 0.000 1.212 1212 L CA -0.582 54.264 54.840 0.011 0.000 1.017 1212 L CB -2.124 40.013 42.059 0.129 0.000 1.269 1212 L HN 0.036 8.176 8.230 0.134 0.170 0.452 1213 A N 1.429 123.770 122.820 -0.799 0.000 1.855 1213 A HA -0.080 1.362 4.320 -4.797 0.000 0.215 1213 A C -1.403 175.344 177.584 -1.395 0.000 1.191 1213 A CA 4.873 55.705 52.037 -2.007 0.000 0.613 1213 A CB -2.668 15.716 19.000 -1.027 0.000 0.829 1213 A HN 0.323 8.108 8.150 -0.398 0.125 0.442 1214 P HA -0.228 3.916 4.420 -0.461 0.000 0.219 1214 P C 0.884 177.954 177.300 -0.384 0.000 1.144 1214 P CA 2.701 65.492 63.100 -0.515 0.000 0.806 1214 P CB -0.609 30.761 31.700 -0.550 0.000 0.771 1215 L N -3.513 117.497 121.223 -0.354 0.000 2.013 1215 L HA -0.120 4.156 4.340 -0.106 0.000 0.204 1215 L C 2.408 179.243 176.870 -0.058 0.000 1.081 1215 L CA 3.720 58.475 54.840 -0.142 0.000 0.751 1215 L CB -0.451 41.594 42.059 -0.023 0.000 0.901 1215 L HN -0.904 6.898 8.230 -0.436 0.166 0.440 1216 W N -1.706 119.618 121.300 0.039 0.000 2.374 1216 W HA -0.260 4.438 4.660 0.065 0.000 0.288 1216 W C 1.559 178.112 176.519 0.056 0.000 1.218 1216 W CA 1.280 58.658 57.345 0.054 0.000 1.245 1216 W CB -1.769 27.725 29.460 0.056 0.000 1.126 1216 W HN -0.747 7.411 8.180 -0.036 0.000 0.545 1217 E N -0.077 119.983 120.200 -0.233 0.000 2.171 1217 E HA -0.388 4.134 4.350 0.287 0.000 0.197 1217 E C 2.538 179.195 176.600 0.094 0.000 0.997 1217 E CA 3.564 59.953 56.400 -0.019 0.000 0.810 1217 E CB -0.497 29.044 29.700 -0.265 0.000 0.738 1217 E HN 0.305 8.122 8.360 -0.862 0.026 0.467 1218 V N -1.260 118.680 119.914 0.043 0.000 2.548 1218 V HA -0.387 3.786 4.120 0.088 0.000 0.249 1218 V C 1.614 177.833 176.094 0.207 0.000 1.055 1218 V CA 4.096 66.450 62.300 0.090 0.000 1.065 1218 V CB 0.077 31.908 31.823 0.013 0.000 0.681 1218 V HN -0.525 7.522 8.190 -0.031 0.125 0.462 1219 I N 0.037 120.738 120.570 0.219 0.000 2.252 1219 I HA -0.572 3.780 4.170 0.303 0.000 0.245 1219 I C 1.680 177.982 176.117 0.308 0.000 1.102 1219 I CA 4.025 65.493 61.300 0.281 0.000 1.385 1219 I CB -0.496 37.658 38.000 0.256 0.000 1.064 1219 I HN -0.884 7.335 8.210 0.197 0.110 0.414 1220 K N -0.103 120.465 120.400 0.280 0.000 2.103 1220 K HA -0.374 4.055 4.320 0.182 0.000 0.207 1220 K C 2.351 179.068 176.600 0.195 0.000 1.048 1220 K CA 3.374 59.794 56.287 0.223 0.000 0.930 1220 K CB -0.200 32.441 32.500 0.235 0.000 0.716 1220 K HN -0.326 8.109 8.250 0.308 0.000 0.444 1221 H N 0.115 119.270 119.070 0.143 0.000 2.343 1221 H HA -0.189 4.410 4.556 0.073 0.000 0.303 1221 H C 1.826 177.225 175.328 0.119 0.000 1.068 1221 H CA 3.950 60.062 56.048 0.107 0.000 1.359 1221 H CB 0.463 30.281 29.762 0.094 0.000 1.402 1221 H HN -0.775 7.699 8.280 0.341 0.011 0.515 1222 F N 1.463 121.506 119.950 0.156 0.000 2.120 1222 F HA -0.429 4.159 4.527 0.102 0.000 0.300 1222 F C 1.248 177.071 175.800 0.037 0.000 1.095 1222 F CA 3.328 61.383 58.000 0.092 0.000 1.249 1222 F CB 0.026 39.080 39.000 0.091 0.000 0.995 1222 F HN 0.311 8.782 8.300 0.462 0.107 0.480 1223 C N -3.750 115.500 119.300 -0.084 0.000 2.492 1223 C HA -0.072 4.118 4.460 -0.450 0.000 0.279 1223 C C 2.370 177.259 174.990 -0.168 0.000 1.335 1223 C CA 1.410 60.309 59.018 -0.197 0.000 1.734 1223 C CB -0.013 27.739 27.740 0.021 0.000 2.027 1223 C HN -0.068 8.265 8.230 0.186 0.009 0.496 1224 Q N 0.579 120.307 119.800 -0.120 0.000 2.170 1224 Q HA -0.154 4.124 4.340 -0.102 0.000 0.203 1224 Q C 2.042 177.915 176.000 -0.212 0.000 0.976 1224 Q CA 2.741 58.456 55.803 -0.147 0.000 0.858 1224 Q CB -0.645 28.004 28.738 -0.148 0.000 0.907 1224 Q HN -0.137 7.920 8.270 -0.057 0.179 0.433 1225 T N -3.183 111.207 114.554 -0.274 0.000 3.067 1225 T HA -0.033 4.189 4.350 -0.214 0.000 0.257 1225 T C 0.326 174.907 174.700 -0.198 0.000 1.105 1225 T CA 1.068 63.025 62.100 -0.238 0.000 1.104 1225 T CB 0.540 69.275 68.868 -0.220 0.000 0.925 1225 T HN 0.061 8.016 8.240 -0.278 0.118 0.498 1226 N N -0.508 118.034 118.700 -0.263 0.000 2.235 1226 N HA 0.048 4.676 4.740 -0.188 0.000 0.231 1226 N C -1.311 174.080 175.510 -0.199 0.000 1.177 1226 N CA -0.241 52.652 53.050 -0.262 0.000 0.874 1226 N CB 0.967 39.185 38.487 -0.448 0.000 1.097 1226 N HN -0.764 7.263 8.380 -0.301 0.173 0.518 1227 S N -0.857 114.748 115.700 -0.157 0.000 3.486 1227 S HA -0.401 4.022 4.470 -0.090 -0.007 0.371 1227 S C -0.932 173.612 174.600 -0.094 0.000 1.001 1227 S CA 1.325 59.463 58.200 -0.104 0.000 1.164 1227 S CB -1.650 61.505 63.200 -0.076 0.000 0.911 1227 S HN -0.332 7.814 8.310 -0.164 0.065 0.472 1228 V N 0.396 120.234 119.914 -0.127 0.000 2.607 1228 V HA -0.050 4.032 4.120 -0.063 0.000 0.289 1228 V C -0.568 175.517 176.094 -0.016 0.000 1.053 1228 V CA 0.328 62.579 62.300 -0.082 0.000 0.996 1228 V CB 1.218 32.963 31.823 -0.131 0.000 0.995 1228 V HN -0.292 7.661 8.190 -0.178 0.131 0.476 1229 Q N 4.168 123.975 119.800 0.012 0.000 2.395 1229 Q HA -0.146 4.208 4.340 0.024 0.000 0.271 1229 Q C -0.709 175.330 176.000 0.065 0.000 1.026 1229 Q CA 0.893 56.716 55.803 0.033 0.000 0.900 1229 Q CB 0.729 29.485 28.738 0.031 0.000 1.266 1229 Q HN 0.108 8.383 8.270 0.009 0.000 0.430 1230 T N -3.823 110.776 114.554 0.074 0.000 2.681 1230 T HA 0.189 4.613 4.350 0.124 0.000 0.296 1230 T C -1.504 173.275 174.700 0.132 0.000 1.157 1230 T CA -1.660 60.507 62.100 0.111 0.000 1.025 1230 T CB 3.141 72.078 68.868 0.115 0.000 1.441 1230 T HN -0.327 7.949 8.240 0.060 0.000 0.504 1231 D N -2.597 117.923 120.400 0.201 0.000 2.692 1231 D HA -0.407 4.546 4.640 0.522 0.000 0.233 1231 D C 0.183 176.680 176.300 0.328 0.000 1.172 1231 D CA 1.290 55.473 54.000 0.305 0.000 0.636 1231 D CB -1.876 38.993 40.800 0.114 0.000 1.028 1231 D HN 0.003 8.499 8.370 0.210 0.000 0.419 1232 L N -2.467 118.894 121.223 0.230 0.000 2.922 1232 L HA -0.014 4.387 4.340 0.102 0.000 0.244 1232 L C -0.502 176.390 176.870 0.036 0.000 1.324 1232 L CA -0.200 54.695 54.840 0.092 0.000 1.172 1232 L CB -1.984 40.078 42.059 0.005 0.000 1.545 1232 L HN -0.789 7.557 8.230 0.191 -0.001 0.438 1233 F N -0.360 119.591 119.950 0.002 0.000 2.352 1233 F HA 0.027 4.555 4.527 0.001 0.000 0.304 1233 F C 0.846 176.644 175.800 -0.003 0.000 1.215 1233 F CA -0.129 57.870 58.000 -0.002 0.000 1.121 1233 F CB 0.992 39.987 39.000 -0.008 0.000 1.329 1233 F HN -0.556 7.965 8.300 0.574 0.123 0.528 1234 S N 0.047 115.863 115.700 0.194 0.000 2.398 1234 S HA -0.098 4.417 4.470 0.074 0.000 0.220 1234 S C 0.836 175.493 174.600 0.095 0.000 1.046 1234 S CA 0.912 59.173 58.200 0.101 0.000 0.953 1234 S CB 0.488 63.725 63.200 0.063 0.000 0.856 1234 S HN 0.148 8.604 8.310 0.244 0.000 0.506 1235 S N 2.976 118.740 115.700 0.107 0.000 2.592 1235 S HA 0.203 4.697 4.470 0.041 0.000 0.305 1235 S C -0.832 173.786 174.600 0.030 0.000 1.118 1235 S CA -0.500 57.734 58.200 0.057 0.000 1.075 1235 S CB -0.619 62.607 63.200 0.043 0.000 1.107 1235 S HN -0.353 8.047 8.310 0.150 0.000 0.503 1236 T N 5.002 119.569 114.554 0.020 0.000 2.884 1236 T HA 0.111 4.428 4.350 -0.055 0.000 0.277 1236 T C -0.775 173.907 174.700 -0.030 0.000 0.976 1236 T CA -1.145 60.945 62.100 -0.017 0.000 0.956 1236 T CB 0.488 69.358 68.868 0.004 0.000 1.113 1236 T HN -0.273 7.986 8.240 0.031 0.000 0.554 1237 K N 2.088 122.459 120.400 -0.047 0.000 2.259 1237 K HA 0.475 4.775 4.320 -0.032 0.000 0.252 1237 K C -2.112 174.469 176.600 -0.032 0.000 0.936 1237 K CA -2.151 54.111 56.287 -0.042 0.000 0.810 1237 K CB -0.270 32.195 32.500 -0.058 0.000 1.143 1237 K HN 0.074 8.288 8.250 -0.060 0.000 0.427 1238 P HA 0.062 4.473 4.420 -0.015 0.000 0.282 1238 P C -1.426 175.862 177.300 -0.021 0.000 1.286 1238 P CA -0.352 62.737 63.100 -0.018 0.000 0.777 1238 P CB 0.554 32.245 31.700 -0.014 0.000 1.184 1239 Q N -0.106 119.684 119.800 -0.017 0.000 2.798 1239 Q HA 0.147 4.475 4.340 -0.020 0.000 0.250 1239 Q C -0.052 175.940 176.000 -0.013 0.000 1.006 1239 Q CA 0.021 55.814 55.803 -0.016 0.000 0.759 1239 Q CB 0.801 29.530 28.738 -0.015 0.000 1.201 1239 Q HN 0.225 8.487 8.270 -0.013 0.000 0.486 1240 S N 2.108 117.800 115.700 -0.014 0.000 2.593 1240 S HA 0.014 4.478 4.470 -0.009 0.000 0.217 1240 S C 0.644 175.238 174.600 -0.010 0.000 0.966 1240 S CA -0.048 58.146 58.200 -0.011 0.000 0.914 1240 S CB 0.283 63.477 63.200 -0.011 0.000 0.776 1240 S HN 0.413 8.713 8.310 -0.016 0.000 0.523 1241 G N 3.450 112.243 108.800 -0.011 0.000 2.540 1241 G HA2 -0.129 3.825 3.960 -0.010 0.000 0.260 1241 G HA3 -0.129 3.826 3.960 -0.008 0.000 0.260 1241 G C -1.703 173.192 174.900 -0.009 0.000 0.993 1241 G CA -0.516 44.578 45.100 -0.010 0.000 1.327 1241 G HN -0.214 7.995 8.290 -0.013 0.074 0.485 1242 P HA 0.120 4.534 4.420 -0.010 0.000 0.275 1242 P C -1.032 176.264 177.300 -0.007 0.000 1.270 1242 P CA -0.791 62.303 63.100 -0.010 0.000 0.791 1242 P CB 0.980 32.672 31.700 -0.013 0.000 1.089 1243 S N -0.962 114.734 115.700 -0.006 0.000 2.550 1243 S HA 0.350 4.818 4.470 -0.003 0.000 0.274 1243 S C -1.475 173.123 174.600 -0.003 0.000 1.110 1243 S CA -0.394 57.803 58.200 -0.004 0.000 1.013 1243 S CB 0.032 63.230 63.200 -0.003 0.000 1.152 1243 S HN 0.150 8.456 8.310 -0.007 0.000 0.450 1244 S N 2.191 117.890 115.700 -0.002 0.000 2.685 1244 S HA 0.654 5.123 4.470 -0.001 0.000 0.282 1244 S C -0.168 174.433 174.600 0.001 0.000 1.159 1244 S CA 0.267 58.466 58.200 -0.001 0.000 0.833 1244 S CB 1.624 64.823 63.200 -0.002 0.000 1.151 1244 S HN 0.744 9.053 8.310 -0.002 0.000 0.485 1245 G N 0.000 108.801 108.800 0.001 0.000 5.446 1245 G HA2 0.000 nan 3.960 nan 0.000 0.244 1245 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 1245 G CA 0.000 45.102 45.100 0.003 0.000 0.502 1245 G HN 0.000 8.291 8.290 0.001 0.000 0.925