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 2rny_1_A DATA FIRST_RESID 1077 DATA SEQUENCE GSHMRKKIFK PEELRQALMP TLEALYRQDP ESLPFRQPVD PQLLGIPDYF DATA SEQUENCE DIVKNPMDLS TIKRKLDTGQ YQEPWQYVDD VWLMFNNAWL YNRKTSRVYK DATA SEQUENCE FCSKLAEVFE QEIDPVMQSL G 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 1077 G HA2 0.000 nan 3.960 nan 0.000 0.244 1077 G HA3 0.000 3.985 3.960 0.042 0.000 0.244 1077 G C 0.000 174.926 174.900 0.044 0.000 0.946 1077 G CA 0.000 45.127 45.100 0.045 0.000 0.502 1078 S N 2.385 118.119 115.700 0.057 0.000 2.294 1078 S HA 0.065 4.511 4.470 -0.040 0.000 0.203 1078 S C -0.751 173.796 174.600 -0.088 0.000 1.022 1078 S CA 0.755 58.954 58.200 -0.002 0.000 0.955 1078 S CB 0.540 63.803 63.200 0.105 0.000 0.943 1078 S HN -0.091 8.269 8.310 0.083 0.000 0.472 1079 H N 0.522 119.626 119.070 0.056 0.000 2.594 1079 H HA 0.096 4.706 4.556 0.089 0.000 0.304 1079 H C -0.494 174.871 175.328 0.062 0.000 1.068 1079 H CA -0.374 55.712 56.048 0.064 0.000 1.308 1079 H CB 0.083 29.866 29.762 0.035 0.000 1.409 1079 H HN 0.029 8.524 8.280 0.359 0.000 0.460 1080 M N 4.698 124.400 119.600 0.170 0.000 2.882 1080 M HA -0.347 4.179 4.480 0.077 0.000 0.276 1080 M C 0.249 176.596 176.300 0.079 0.000 1.060 1080 M CA 3.281 58.646 55.300 0.109 0.000 1.072 1080 M CB 0.073 32.740 32.600 0.112 0.000 1.214 1080 M HN 0.613 9.008 8.290 0.176 0.000 0.521 1081 R N -7.227 113.325 120.500 0.085 0.000 2.470 1081 R HA 0.098 4.465 4.340 0.045 0.000 0.147 1081 R C 0.084 176.427 176.300 0.071 0.000 0.919 1081 R CA 0.072 56.200 56.100 0.046 0.000 2.076 1081 R CB 0.505 30.796 30.300 -0.015 0.000 1.612 1081 R HN -0.065 8.287 8.270 0.136 0.000 0.505 1082 K N 0.256 120.742 120.400 0.144 0.000 2.696 1082 K HA -0.124 4.275 4.320 0.132 0.000 0.169 1082 K C 0.651 177.318 176.600 0.111 0.000 1.126 1082 K CA 1.071 57.475 56.287 0.194 0.000 1.251 1082 K CB 0.280 33.065 32.500 0.475 0.000 1.753 1082 K HN -0.603 7.754 8.250 0.180 0.000 0.480 1083 K N -1.164 119.286 120.400 0.084 0.000 2.102 1083 K HA -0.029 4.192 4.320 -0.165 0.000 0.208 1083 K C 0.326 176.796 176.600 -0.216 0.000 1.027 1083 K CA 0.059 56.233 56.287 -0.189 0.000 0.958 1083 K CB 0.706 32.951 32.500 -0.426 0.000 0.819 1083 K HN 0.154 8.534 8.250 0.216 0.000 0.453 1084 I N -1.077 119.409 120.570 -0.140 0.000 8.342 1084 I HA -0.404 4.057 4.170 0.289 -0.118 0.126 1084 I C -1.369 174.736 176.117 -0.020 0.000 1.849 1084 I CA 1.074 62.425 61.300 0.085 0.000 2.049 1084 I CB -2.113 35.979 38.000 0.154 0.000 3.803 1084 I HN -0.011 8.189 8.210 -0.017 0.000 0.173 1085 F N 4.667 124.638 119.950 0.035 0.000 2.747 1085 F HA 0.316 4.884 4.527 0.068 0.000 0.376 1085 F C -0.916 174.887 175.800 0.004 0.000 1.256 1085 F CA -2.551 55.468 58.000 0.031 0.000 1.121 1085 F CB 1.635 40.637 39.000 0.004 0.000 1.654 1085 F HN -0.302 8.561 8.300 0.938 0.000 0.491 1086 K N 0.516 121.069 120.400 0.256 0.000 2.270 1086 K HA 0.124 4.501 4.320 0.094 0.000 0.276 1086 K C -0.979 175.665 176.600 0.073 0.000 1.023 1086 K CA -2.441 53.917 56.287 0.118 0.000 0.955 1086 K CB 0.806 33.358 32.500 0.086 0.000 0.975 1086 K HN 0.044 8.485 8.250 0.319 0.000 0.471 1087 P HA -0.257 4.209 4.420 0.076 0.000 0.220 1087 P C 0.995 178.296 177.300 0.002 0.000 1.144 1087 P CA 2.481 65.611 63.100 0.051 0.000 0.800 1087 P CB 0.032 31.765 31.700 0.055 0.000 0.772 1088 E N -3.502 116.690 120.200 -0.012 0.000 2.122 1088 E HA -0.292 4.029 4.350 -0.048 0.000 0.190 1088 E C 1.783 178.330 176.600 -0.088 0.000 0.977 1088 E CA 2.848 59.222 56.400 -0.043 0.000 0.820 1088 E CB -0.275 29.409 29.700 -0.026 0.000 0.770 1088 E HN 0.542 8.848 8.360 0.008 0.059 0.462 1089 E N -0.122 120.022 120.200 -0.094 0.000 2.038 1089 E HA -0.341 3.912 4.350 -0.161 0.000 0.195 1089 E C 2.661 179.061 176.600 -0.334 0.000 1.000 1089 E CA 2.920 59.199 56.400 -0.201 0.000 0.803 1089 E CB -0.399 29.177 29.700 -0.206 0.000 0.750 1089 E HN -0.296 7.934 8.360 -0.037 0.108 0.448 1090 L N -2.054 118.971 121.223 -0.330 0.000 1.971 1090 L HA -0.397 3.651 4.340 -0.488 0.000 0.215 1090 L C 2.160 178.860 176.870 -0.282 0.000 1.072 1090 L CA 3.021 57.653 54.840 -0.348 0.000 0.758 1090 L CB -0.840 41.081 42.059 -0.230 0.000 0.889 1090 L HN -0.412 7.682 8.230 -0.226 0.000 0.433 1091 R N -1.776 118.601 120.500 -0.206 0.000 2.140 1091 R HA -0.530 3.657 4.340 -0.254 0.000 0.250 1091 R C 2.801 178.985 176.300 -0.193 0.000 1.150 1091 R CA 3.555 59.537 56.100 -0.197 0.000 0.966 1091 R CB -0.401 29.823 30.300 -0.127 0.000 0.869 1091 R HN -0.482 7.696 8.270 -0.152 0.000 0.445 1092 Q N -1.622 118.071 119.800 -0.178 0.000 2.152 1092 Q HA -0.322 3.942 4.340 -0.128 0.000 0.206 1092 Q C 1.523 177.424 176.000 -0.165 0.000 0.985 1092 Q CA 2.717 58.426 55.803 -0.155 0.000 0.863 1092 Q CB -0.048 28.600 28.738 -0.150 0.000 0.904 1092 Q HN -0.085 7.968 8.270 -0.180 0.109 0.422 1093 A N -1.677 121.016 122.820 -0.211 0.000 1.862 1093 A HA -0.076 4.149 4.320 -0.158 0.000 0.211 1093 A C 1.687 179.164 177.584 -0.179 0.000 1.220 1093 A CA 2.206 54.126 52.037 -0.195 0.000 0.616 1093 A CB 0.007 18.864 19.000 -0.238 0.000 0.878 1093 A HN -0.144 7.752 8.150 -0.254 0.102 0.453 1094 L N -1.473 119.603 121.223 -0.246 0.000 1.951 1094 L HA -0.451 3.781 4.340 -0.179 0.000 0.222 1094 L C 2.467 179.168 176.870 -0.281 0.000 1.078 1094 L CA 2.954 57.584 54.840 -0.350 0.000 0.778 1094 L CB -0.742 40.887 42.059 -0.718 0.000 0.893 1094 L HN 0.559 8.513 8.230 -0.280 0.108 0.436 1095 M N -0.867 118.559 119.600 -0.290 0.000 2.151 1095 M HA -0.270 4.089 4.480 -0.202 0.000 0.256 1095 M C -1.376 174.870 176.300 -0.090 0.000 1.072 1095 M CA 3.405 58.592 55.300 -0.189 0.000 1.090 1095 M CB -3.275 29.221 32.600 -0.172 0.000 1.294 1095 M HN -0.337 7.663 8.290 -0.304 0.108 0.415 1096 P HA -0.342 4.052 4.420 -0.043 0.000 0.218 1096 P C 1.610 178.921 177.300 0.019 0.000 1.154 1096 P CA 3.460 66.535 63.100 -0.042 0.000 0.872 1096 P CB -0.928 30.736 31.700 -0.060 0.000 0.790 1097 T N -1.392 113.192 114.554 0.050 0.000 2.622 1097 T HA -0.370 4.021 4.350 0.068 0.000 0.266 1097 T C 1.823 176.732 174.700 0.348 0.000 1.047 1097 T CA 4.004 66.202 62.100 0.164 0.000 1.159 1097 T CB -0.564 68.413 68.868 0.182 0.000 0.863 1097 T HN -0.216 7.931 8.240 0.002 0.094 0.422 1098 L N 1.958 123.416 121.223 0.393 0.000 2.081 1098 L HA -0.378 4.235 4.340 0.455 0.000 0.212 1098 L C 2.203 179.234 176.870 0.269 0.000 1.080 1098 L CA 3.303 58.361 54.840 0.364 0.000 0.754 1098 L CB -0.124 42.084 42.059 0.249 0.000 0.893 1098 L HN -0.357 8.080 8.230 0.345 0.000 0.433 1099 E N -2.435 117.831 120.200 0.111 0.000 2.150 1099 E HA -0.402 3.974 4.350 0.044 0.000 0.193 1099 E C 1.959 178.654 176.600 0.158 0.000 0.985 1099 E CA 2.843 59.286 56.400 0.072 0.000 0.814 1099 E CB -0.303 29.380 29.700 -0.028 0.000 0.752 1099 E HN 0.530 8.713 8.360 0.073 0.221 0.466 1100 A N -0.931 121.979 122.820 0.149 0.000 1.969 1100 A HA -0.221 4.157 4.320 0.096 0.000 0.218 1100 A C 2.009 179.687 177.584 0.155 0.000 1.169 1100 A CA 2.778 54.891 52.037 0.126 0.000 0.635 1100 A CB -0.536 18.522 19.000 0.098 0.000 0.810 1100 A HN -0.194 7.908 8.150 0.151 0.139 0.445 1101 L N -4.009 117.349 121.223 0.225 0.000 2.179 1101 L HA -0.256 4.176 4.340 0.152 0.000 0.208 1101 L C 2.137 179.123 176.870 0.193 0.000 1.096 1101 L CA 2.402 57.370 54.840 0.213 0.000 0.779 1101 L CB -0.233 41.993 42.059 0.277 0.000 0.922 1101 L HN -0.647 7.627 8.230 0.269 0.118 0.443 1102 Y N -2.323 118.019 120.300 0.070 0.000 2.421 1102 Y HA -0.280 4.292 4.550 0.036 0.000 0.292 1102 Y C 2.099 178.007 175.900 0.015 0.000 1.136 1102 Y CA 3.211 61.335 58.100 0.039 0.000 1.255 1102 Y CB -0.279 38.203 38.460 0.038 0.000 0.991 1102 Y HN -0.118 8.168 8.280 0.411 0.241 0.552 1103 R N -2.622 117.967 120.500 0.148 0.000 2.115 1103 R HA -0.166 4.216 4.340 0.070 0.000 0.226 1103 R C 0.799 177.112 176.300 0.022 0.000 1.100 1103 R CA 2.173 58.317 56.100 0.074 0.000 0.980 1103 R CB -0.299 30.041 30.300 0.066 0.000 0.875 1103 R HN -0.763 7.455 8.270 0.177 0.158 0.445 1104 Q N -1.887 117.926 119.800 0.022 0.000 2.292 1104 Q HA 0.085 4.412 4.340 -0.021 0.000 0.247 1104 Q C -0.260 175.678 176.000 -0.103 0.000 0.911 1104 Q CA -0.817 54.974 55.803 -0.019 0.000 0.948 1104 Q CB -2.099 26.650 28.738 0.019 0.000 1.093 1104 Q HN 0.015 8.180 8.270 0.060 0.142 0.428 1105 D N 2.110 122.438 120.400 -0.121 0.000 2.303 1105 D HA -0.334 4.156 4.640 -0.250 0.000 0.190 1105 D C 0.049 176.161 176.300 -0.314 0.000 1.011 1105 D CA 5.892 59.768 54.000 -0.206 0.000 0.860 1105 D CB -2.142 38.566 40.800 -0.153 0.000 0.961 1105 D HN -0.521 7.643 8.370 -0.068 0.165 0.453 1106 P HA -0.148 3.964 4.420 -0.513 0.000 0.226 1106 P C 0.040 176.643 177.300 -1.162 0.000 1.146 1106 P CA 2.025 64.783 63.100 -0.570 0.000 0.773 1106 P CB -0.586 30.894 31.700 -0.367 0.000 0.772 1107 E N -4.092 115.687 120.200 -0.701 0.000 2.413 1107 E HA 0.135 3.883 4.350 -1.003 0.000 0.203 1107 E C 0.718 177.190 176.600 -0.213 0.000 0.957 1107 E CA 0.589 56.687 56.400 -0.504 0.000 0.950 1107 E CB 0.888 30.573 29.700 -0.026 0.000 0.957 1107 E HN 0.276 8.170 8.360 -0.409 0.221 0.497 1108 S N -0.982 114.585 115.700 -0.221 0.000 2.460 1108 S HA 0.036 4.647 4.470 0.234 0.000 0.226 1108 S C 1.725 176.149 174.600 -0.292 0.000 1.057 1108 S CA 1.868 60.010 58.200 -0.096 0.000 0.948 1108 S CB 1.001 64.114 63.200 -0.146 0.000 0.822 1108 S HN -0.141 7.769 8.310 -0.282 0.230 0.512 1109 L N 1.851 122.841 121.223 -0.388 0.000 2.030 1109 L HA -0.299 3.840 4.340 -0.334 0.000 0.222 1109 L C -1.532 175.105 176.870 -0.388 0.000 1.082 1109 L CA 6.145 60.770 54.840 -0.359 0.000 0.785 1109 L CB -3.135 38.733 42.059 -0.318 0.000 0.895 1109 L HN 0.584 8.461 8.230 -0.380 0.125 0.439 1110 P HA -0.221 3.951 4.420 -0.412 0.000 0.225 1110 P C -0.408 176.457 177.300 -0.725 0.000 1.141 1110 P CA 2.176 64.861 63.100 -0.692 0.000 0.774 1110 P CB -0.571 30.570 31.700 -0.931 0.000 0.760 1111 F N -6.710 113.174 119.950 -0.111 0.000 2.784 1111 F HA 0.404 4.958 4.527 -0.073 -0.071 0.316 1111 F C 1.513 177.253 175.800 -0.100 0.000 1.026 1111 F CA -0.899 57.042 58.000 -0.099 0.000 1.188 1111 F CB 0.527 39.455 39.000 -0.120 0.000 0.999 1111 F HN -0.017 7.756 8.300 -0.466 0.248 0.605 1112 R N -1.155 119.326 120.500 -0.032 0.000 2.226 1112 R HA -0.378 3.954 4.340 -0.013 0.000 0.246 1112 R C -0.257 176.043 176.300 -0.001 0.000 1.161 1112 R CA 3.103 59.148 56.100 -0.091 0.000 0.997 1112 R CB 0.032 30.122 30.300 -0.350 0.000 0.870 1112 R HN 0.093 8.066 8.270 -0.136 0.215 0.465 1113 Q N -3.721 116.069 119.800 -0.017 0.000 2.348 1113 Q HA 0.429 4.783 4.340 0.023 0.000 0.271 1113 Q C -2.648 173.373 176.000 0.035 0.000 1.067 1113 Q CA -3.453 52.352 55.803 0.004 0.000 0.839 1113 Q CB 1.414 30.136 28.738 -0.028 0.000 1.354 1113 Q HN -0.740 7.453 8.270 -0.055 0.044 0.447 1114 P HA -0.140 4.706 4.420 0.101 -0.366 0.264 1114 P C -0.941 176.418 177.300 0.099 0.000 1.183 1114 P CA 0.113 63.264 63.100 0.086 0.000 0.763 1114 P CB 0.280 32.027 31.700 0.078 0.000 0.807 1115 V N 4.957 124.974 119.914 0.171 0.000 2.220 1115 V HA -0.229 3.902 4.120 0.018 0.000 0.236 1115 V C 0.208 176.381 176.094 0.133 0.000 1.314 1115 V CA 0.275 62.649 62.300 0.123 0.000 1.349 1115 V CB -1.334 30.583 31.823 0.156 0.000 1.428 1115 V HN 0.007 8.485 8.190 0.219 -0.157 0.495 1116 D N 8.280 128.716 120.400 0.061 0.000 2.402 1116 D HA -0.003 4.708 4.640 0.119 0.000 0.268 1116 D C -0.558 175.739 176.300 -0.005 0.000 1.294 1116 D CA -0.310 53.724 54.000 0.057 0.000 0.945 1116 D CB 0.978 41.791 40.800 0.021 0.000 1.112 1116 D HN -0.010 8.342 8.370 0.030 0.036 0.517 1117 P HA -0.020 4.304 4.420 -0.161 0.000 0.237 1117 P C 0.008 177.284 177.300 -0.041 0.000 1.178 1117 P CA 1.448 64.514 63.100 -0.056 0.000 0.766 1117 P CB 0.071 31.750 31.700 -0.036 0.000 0.876 1118 Q N -3.568 116.223 119.800 -0.015 0.000 2.178 1118 Q HA -0.186 4.145 4.340 -0.014 0.000 0.195 1118 Q C 0.944 176.934 176.000 -0.017 0.000 0.960 1118 Q CA 2.049 57.846 55.803 -0.011 0.000 0.843 1118 Q CB -0.526 28.214 28.738 0.003 0.000 0.927 1118 Q HN -0.220 7.969 8.270 0.005 0.084 0.487 1119 L N -1.263 119.948 121.223 -0.019 0.000 2.079 1119 L HA -0.236 4.092 4.340 -0.020 0.000 0.210 1119 L C 0.873 177.720 176.870 -0.038 0.000 1.081 1119 L CA 2.254 57.079 54.840 -0.026 0.000 0.752 1119 L CB -0.344 41.699 42.059 -0.027 0.000 0.896 1119 L HN -0.577 7.647 8.230 -0.011 0.000 0.433 1120 L N -2.938 118.251 121.223 -0.057 0.000 2.102 1120 L HA 0.024 4.329 4.340 -0.059 0.000 0.202 1120 L C 0.187 177.032 176.870 -0.042 0.000 1.076 1120 L CA 1.499 56.298 54.840 -0.069 0.000 0.761 1120 L CB 0.838 42.815 42.059 -0.135 0.000 0.921 1120 L HN 0.105 8.184 8.230 -0.061 0.115 0.444 1121 G N -1.857 106.920 108.800 -0.038 0.000 2.140 1121 G HA2 -0.290 3.689 3.960 -0.017 0.000 0.211 1121 G HA3 -0.290 3.662 3.960 -0.013 0.000 0.211 1121 G C -0.318 174.579 174.900 -0.005 0.000 1.013 1121 G CA -0.048 45.041 45.100 -0.018 0.000 0.705 1121 G HN -0.362 7.701 8.290 -0.049 0.198 0.508 1122 I N -5.129 115.434 120.570 -0.011 0.000 2.442 1122 I HA 0.573 4.780 4.170 0.063 0.000 0.279 1122 I C -1.743 174.408 176.117 0.056 0.000 1.081 1122 I CA -3.583 57.748 61.300 0.052 0.000 1.197 1122 I CB -0.302 37.771 38.000 0.121 0.000 1.394 1122 I HN -0.598 7.583 8.210 -0.048 0.000 0.488 1123 P HA -0.176 4.215 4.420 -0.049 0.000 0.221 1123 P C -0.351 176.969 177.300 0.033 0.000 1.145 1123 P CA 2.373 65.472 63.100 -0.003 0.000 0.795 1123 P CB -0.361 31.338 31.700 -0.002 0.000 0.775 1124 D N -4.011 116.456 120.400 0.113 0.000 2.392 1124 D HA -0.171 4.517 4.640 0.080 0.000 0.228 1124 D C -0.367 176.155 176.300 0.371 0.000 1.003 1124 D CA 1.860 55.948 54.000 0.147 0.000 0.917 1124 D CB -0.450 40.360 40.800 0.017 0.000 0.890 1124 D HN 0.173 8.550 8.370 0.111 0.059 0.532 1125 Y N 0.606 120.987 120.300 0.135 0.000 2.480 1125 Y HA -0.292 4.537 4.550 0.463 0.000 0.338 1125 Y C -0.188 175.690 175.900 -0.036 0.000 1.220 1125 Y CA -0.176 57.943 58.100 0.031 0.000 1.430 1125 Y CB 0.190 38.404 38.460 -0.409 0.000 1.311 1125 Y HN -0.506 7.807 8.280 0.223 0.100 0.575 1126 F N -1.014 118.983 119.950 0.077 0.000 2.871 1126 F HA -0.405 4.048 4.527 -0.122 0.000 0.326 1126 F C -0.676 175.166 175.800 0.070 0.000 0.675 1126 F CA 0.580 58.552 58.000 -0.046 0.000 1.188 1126 F CB -2.251 36.689 39.000 -0.100 0.000 1.567 1126 F HN 0.294 8.895 8.300 0.500 0.000 0.325 1127 D N -1.344 119.236 120.400 0.300 0.000 2.479 1127 D HA 0.108 4.840 4.640 0.153 0.000 0.218 1127 D C -0.220 176.175 176.300 0.157 0.000 1.177 1127 D CA 0.221 54.330 54.000 0.182 0.000 0.830 1127 D CB 1.174 42.050 40.800 0.126 0.000 1.014 1127 D HN -0.305 8.217 8.370 0.396 0.086 0.503 1128 I N -2.513 118.201 120.570 0.239 0.000 3.903 1128 I HA 0.030 4.268 4.170 0.114 0.000 0.270 1128 I C 0.491 176.757 176.117 0.250 0.000 1.104 1128 I CA 0.623 62.041 61.300 0.197 0.000 1.349 1128 I CB 1.381 39.455 38.000 0.123 0.000 1.793 1128 I HN -0.760 7.571 8.210 0.329 0.076 0.407 1129 V N -2.039 118.101 119.914 0.377 0.000 2.488 1129 V HA -0.202 4.075 4.120 0.261 0.000 0.246 1129 V C 0.948 177.133 176.094 0.151 0.000 1.046 1129 V CA 2.299 64.772 62.300 0.289 0.000 1.053 1129 V CB -0.023 32.019 31.823 0.366 0.000 0.679 1129 V HN 0.048 8.564 8.190 0.543 0.000 0.458 1130 K N -6.174 114.303 120.400 0.129 0.000 3.443 1130 K HA -0.410 3.942 4.320 0.053 0.000 0.323 1130 K C -0.823 175.743 176.600 -0.058 0.000 0.757 1130 K CA 2.374 58.686 56.287 0.042 0.000 1.417 1130 K CB -2.068 30.459 32.500 0.045 0.000 1.338 1130 K HN 0.239 8.609 8.250 0.200 0.000 0.459 1131 N N 0.368 119.037 118.700 -0.052 0.000 2.790 1131 N HA 0.405 5.037 4.740 -0.181 0.000 0.256 1131 N C -2.164 173.275 175.510 -0.118 0.000 1.409 1131 N CA -2.462 50.521 53.050 -0.112 0.000 0.799 1131 N CB 1.017 39.465 38.487 -0.066 0.000 1.170 1131 N HN -0.364 7.860 8.380 0.014 0.164 0.507 1132 P HA -0.249 4.137 4.420 -0.057 0.000 0.210 1132 P C -0.458 176.819 177.300 -0.039 0.000 1.151 1132 P CA 1.246 64.237 63.100 -0.183 0.000 0.949 1132 P CB 0.423 31.853 31.700 -0.450 0.000 0.786 1133 M N -3.912 115.632 119.600 -0.094 0.000 7.318 1133 M HA -0.401 4.027 4.480 -0.086 0.000 0.157 1133 M C -2.286 173.986 176.300 -0.046 0.000 0.481 1133 M CA 1.029 56.273 55.300 -0.093 0.000 1.311 1133 M CB 0.391 32.896 32.600 -0.158 0.000 0.421 1133 M HN -0.243 7.957 8.290 -0.150 0.000 0.190 1134 D N -2.612 117.750 120.400 -0.063 0.000 2.785 1134 D HA 0.120 4.734 4.640 -0.043 0.000 0.239 1134 D C -0.732 175.576 176.300 0.013 0.000 1.142 1134 D CA -0.714 53.290 54.000 0.008 0.000 0.734 1134 D CB 2.269 43.140 40.800 0.119 0.000 1.820 1134 D HN -0.309 8.011 8.370 -0.083 0.000 0.461 1135 L N 0.506 121.762 121.223 0.056 0.000 2.369 1135 L HA -0.470 3.914 4.340 0.074 0.000 0.220 1135 L C 1.282 178.250 176.870 0.164 0.000 1.119 1135 L CA 3.180 58.090 54.840 0.118 0.000 0.780 1135 L CB -0.625 41.538 42.059 0.173 0.000 0.906 1135 L HN 0.407 8.678 8.230 0.119 0.030 0.442 1136 S N -0.302 115.466 115.700 0.113 0.000 2.329 1136 S HA -0.250 4.356 4.470 0.135 -0.055 0.215 1136 S C 2.088 176.730 174.600 0.071 0.000 1.031 1136 S CA 3.430 61.689 58.200 0.099 0.000 0.985 1136 S CB -0.033 63.207 63.200 0.066 0.000 0.917 1136 S HN 0.274 8.650 8.310 0.099 -0.006 0.441 1137 T N 4.849 119.427 114.554 0.040 0.000 2.759 1137 T HA -0.362 3.986 4.350 -0.002 0.000 0.269 1137 T C 1.678 176.394 174.700 0.027 0.000 1.042 1137 T CA 4.675 66.781 62.100 0.009 0.000 1.140 1137 T CB -0.312 68.546 68.868 -0.018 0.000 0.864 1137 T HN -0.227 8.378 8.240 0.039 -0.341 0.455 1138 I N 1.240 121.847 120.570 0.063 0.000 2.060 1138 I HA -0.455 3.830 4.170 0.191 0.000 0.233 1138 I C 1.469 177.703 176.117 0.195 0.000 1.054 1138 I CA 3.996 65.385 61.300 0.148 0.000 1.318 1138 I CB -0.409 37.649 38.000 0.097 0.000 1.054 1138 I HN 0.588 8.704 8.210 0.045 0.121 0.395 1139 K N -1.145 119.363 120.400 0.179 0.000 2.366 1139 K HA -0.338 4.030 4.320 0.081 0.000 0.202 1139 K C 2.307 178.932 176.600 0.041 0.000 1.045 1139 K CA 2.612 58.959 56.287 0.099 0.000 0.934 1139 K CB -0.955 31.592 32.500 0.079 0.000 0.746 1139 K HN -0.011 8.251 8.250 0.204 0.110 0.470 1140 R N 0.007 120.532 120.500 0.042 0.000 2.043 1140 R HA -0.155 4.178 4.340 -0.011 0.000 0.221 1140 R C 1.954 178.220 176.300 -0.056 0.000 1.196 1140 R CA 2.593 58.689 56.100 -0.008 0.000 0.949 1140 R CB -0.049 30.244 30.300 -0.011 0.000 0.838 1140 R HN -0.454 7.682 8.270 0.066 0.174 0.446 1141 K N 1.103 121.433 120.400 -0.116 0.000 2.144 1141 K HA -0.376 3.779 4.320 -0.275 0.000 0.209 1141 K C 2.642 179.054 176.600 -0.315 0.000 1.047 1141 K CA 3.317 59.411 56.287 -0.321 0.000 0.927 1141 K CB -0.534 31.623 32.500 -0.571 0.000 0.716 1141 K HN 0.046 8.247 8.250 -0.081 0.000 0.454 1142 L N -1.211 120.007 121.223 -0.008 0.000 1.948 1142 L HA -0.503 4.131 4.340 0.489 0.000 0.212 1142 L C 1.147 178.029 176.870 0.020 0.000 1.074 1142 L CA 3.195 58.140 54.840 0.175 0.000 0.753 1142 L CB -0.071 42.042 42.059 0.091 0.000 0.888 1142 L HN 0.055 8.308 8.230 0.067 0.017 0.432 1143 D N -2.903 117.482 120.400 -0.025 0.000 2.126 1143 D HA -0.307 4.300 4.640 -0.055 0.000 0.190 1143 D C 2.242 178.516 176.300 -0.042 0.000 1.001 1143 D CA 3.096 57.069 54.000 -0.046 0.000 0.841 1143 D CB 0.466 41.236 40.800 -0.050 0.000 0.949 1143 D HN -0.657 7.702 8.370 -0.017 0.000 0.446 1144 T N -6.272 108.251 114.554 -0.052 0.000 2.881 1144 T HA -0.207 4.118 4.350 -0.042 0.000 0.270 1144 T C 1.510 176.179 174.700 -0.052 0.000 1.068 1144 T CA 1.379 63.447 62.100 -0.054 0.000 1.131 1144 T CB 1.174 70.002 68.868 -0.067 0.000 0.871 1144 T HN 0.037 8.131 8.240 -0.058 0.112 0.479 1145 G N 1.548 110.314 108.800 -0.058 0.000 2.138 1145 G HA2 -0.307 3.717 3.960 0.012 0.000 0.193 1145 G HA3 -0.307 3.641 3.960 -0.020 0.000 0.193 1145 G C -0.171 174.692 174.900 -0.062 0.000 0.998 1145 G CA -0.487 44.596 45.100 -0.029 0.000 0.668 1145 G HN -0.484 7.640 8.290 -0.070 0.124 0.516 1146 Q N 1.613 121.300 119.800 -0.187 0.000 2.945 1146 Q HA -0.059 4.199 4.340 -0.136 0.000 0.323 1146 Q C -1.352 174.427 176.000 -0.368 0.000 1.188 1146 Q CA -0.268 55.379 55.803 -0.259 0.000 0.929 1146 Q CB -1.037 27.508 28.738 -0.321 0.000 1.531 1146 Q HN 0.054 8.100 8.270 -0.222 0.090 0.444 1147 Y N -1.574 118.733 120.300 0.012 0.000 2.840 1147 Y HA -0.031 4.546 4.550 0.045 0.000 0.324 1147 Y C -1.744 174.168 175.900 0.019 0.000 1.378 1147 Y CA -0.646 57.472 58.100 0.030 0.000 1.077 1147 Y CB 1.821 40.302 38.460 0.036 0.000 1.361 1147 Y HN -0.263 7.942 8.280 0.046 0.103 0.459 1148 Q N -3.885 116.063 119.800 0.248 0.000 1.527 1148 Q HA -0.003 4.397 4.340 0.101 0.000 0.160 1148 Q C -2.285 173.799 176.000 0.139 0.000 0.633 1148 Q CA 0.513 56.390 55.803 0.122 0.000 0.681 1148 Q CB 2.603 31.365 28.738 0.039 0.000 1.163 1148 Q HN 0.061 8.509 8.270 0.297 0.000 0.361 1149 E N -1.637 118.662 120.200 0.165 0.000 2.199 1149 E HA 0.325 4.799 4.350 0.206 0.000 0.265 1149 E C -1.013 175.606 176.600 0.033 0.000 0.882 1149 E CA -3.550 52.972 56.400 0.203 0.000 0.759 1149 E CB 0.992 30.939 29.700 0.412 0.000 1.148 1149 E HN -0.320 8.153 8.360 0.188 0.000 0.412 1150 P HA -0.126 4.156 4.420 -0.230 0.000 0.215 1150 P C 0.316 177.540 177.300 -0.127 0.000 1.153 1150 P CA 2.372 65.312 63.100 -0.266 0.000 0.853 1150 P CB 0.193 31.638 31.700 -0.425 0.000 0.788 1151 W N -5.786 115.544 121.300 0.049 0.000 2.387 1151 W HA -0.081 4.628 4.660 0.083 0.000 0.272 1151 W C 1.891 178.416 176.519 0.010 0.000 1.224 1151 W CA 1.411 58.785 57.345 0.048 0.000 1.210 1151 W CB -2.356 27.127 29.460 0.038 0.000 1.125 1151 W HN -0.135 7.498 8.180 -0.913 0.000 0.572 1152 Q N -1.235 118.704 119.800 0.231 0.000 2.046 1152 Q HA -0.349 4.087 4.340 0.159 0.000 0.200 1152 Q C 2.134 178.120 176.000 -0.022 0.000 0.975 1152 Q CA 2.456 58.330 55.803 0.119 0.000 0.836 1152 Q CB -0.898 27.934 28.738 0.157 0.000 0.896 1152 Q HN -0.316 7.948 8.270 0.247 0.154 0.428 1153 Y N 1.154 121.177 120.300 -0.463 0.000 2.274 1153 Y HA -0.271 4.226 4.550 -0.317 -0.136 0.290 1153 Y C 1.618 177.464 175.900 -0.091 0.000 1.145 1153 Y CA 2.848 60.662 58.100 -0.476 0.000 1.203 1153 Y CB -0.317 37.704 38.460 -0.731 0.000 0.984 1153 Y HN -0.674 7.326 8.280 -0.335 0.079 0.533 1154 V N -0.011 119.812 119.914 -0.152 0.000 2.270 1154 V HA -0.595 3.411 4.120 -0.189 0.000 0.245 1154 V C 1.629 177.746 176.094 0.039 0.000 1.043 1154 V CA 3.938 66.248 62.300 0.016 0.000 1.014 1154 V CB -0.894 31.142 31.823 0.354 0.000 0.645 1154 V HN -0.189 7.944 8.190 0.070 0.099 0.447 1155 D N -1.651 118.781 120.400 0.054 0.000 2.265 1155 D HA -0.350 4.337 4.640 0.077 0.000 0.208 1155 D C 2.155 178.432 176.300 -0.039 0.000 0.977 1155 D CA 3.580 57.607 54.000 0.045 0.000 0.871 1155 D CB -0.087 40.748 40.800 0.058 0.000 0.925 1155 D HN 0.129 8.439 8.370 0.090 0.113 0.485 1156 D N 0.191 120.506 120.400 -0.142 0.000 2.197 1156 D HA -0.045 4.508 4.640 -0.145 0.000 0.212 1156 D C 2.133 178.160 176.300 -0.455 0.000 0.963 1156 D CA 2.877 56.753 54.000 -0.208 0.000 0.864 1156 D CB 0.261 41.006 40.800 -0.092 0.000 1.009 1156 D HN -0.668 7.422 8.370 -0.169 0.179 0.479 1157 V N 1.348 120.822 119.914 -0.732 0.000 2.407 1157 V HA -0.419 3.068 4.120 -1.055 0.000 0.248 1157 V C 0.748 175.853 176.094 -1.650 0.000 1.055 1157 V CA 4.042 65.621 62.300 -1.202 0.000 1.049 1157 V CB 0.065 30.944 31.823 -1.574 0.000 0.662 1157 V HN 0.007 7.637 8.190 -0.756 0.106 0.455 1158 W N -3.140 117.598 121.300 -0.936 0.000 2.476 1158 W HA -0.233 4.076 4.660 -0.586 0.000 0.281 1158 W C 1.944 178.173 176.519 -0.484 0.000 1.230 1158 W CA 4.137 61.166 57.345 -0.527 0.000 1.287 1158 W CB -0.100 29.337 29.460 -0.037 0.000 1.108 1158 W HN 0.536 8.407 8.180 -0.321 0.116 0.567 1159 L N 0.197 121.288 121.223 -0.221 0.000 2.201 1159 L HA -0.333 3.979 4.340 -0.046 0.000 0.212 1159 L C 1.276 177.948 176.870 -0.329 0.000 1.105 1159 L CA 2.923 57.660 54.840 -0.172 0.000 0.775 1159 L CB -0.220 41.763 42.059 -0.127 0.000 0.913 1159 L HN -0.651 7.230 8.230 -0.229 0.212 0.440 1160 M N 0.423 119.642 119.600 -0.636 0.000 2.074 1160 M HA -0.300 3.879 4.480 -0.503 0.000 0.258 1160 M C 1.860 177.609 176.300 -0.918 0.000 1.083 1160 M CA 4.092 58.921 55.300 -0.785 0.000 1.128 1160 M CB 0.238 32.225 32.600 -1.022 0.000 1.301 1160 M HN -0.196 7.508 8.290 -0.752 0.135 0.417 1161 F N -4.515 114.854 119.950 -0.968 0.000 2.236 1161 F HA -0.356 3.487 4.527 -1.140 0.000 0.302 1161 F C 2.278 177.350 175.800 -1.215 0.000 1.073 1161 F CA 2.227 59.490 58.000 -1.228 0.000 1.336 1161 F CB -1.744 36.348 39.000 -1.514 0.000 1.040 1161 F HN -0.442 6.579 8.300 -2.131 0.000 0.507 1162 N N -0.626 117.739 118.700 -0.558 0.000 2.084 1162 N HA -0.407 4.437 4.740 0.173 0.000 0.190 1162 N C 1.393 176.955 175.510 0.087 0.000 1.030 1162 N CA 3.624 56.635 53.050 -0.064 0.000 0.849 1162 N CB -0.006 38.527 38.487 0.077 0.000 1.012 1162 N HN -0.161 7.766 8.380 -0.553 0.121 0.423 1163 N N -0.009 118.693 118.700 0.004 0.000 2.104 1163 N HA -0.366 4.537 4.740 0.273 0.000 0.190 1163 N C 1.880 177.525 175.510 0.226 0.000 1.024 1163 N CA 3.040 56.188 53.050 0.164 0.000 0.853 1163 N CB -0.950 37.631 38.487 0.157 0.000 1.008 1163 N HN -0.216 7.998 8.380 -0.135 0.084 0.424 1164 A N -1.569 121.321 122.820 0.118 0.000 2.070 1164 A HA -0.176 4.312 4.320 0.281 0.000 0.220 1164 A C 2.217 180.054 177.584 0.420 0.000 1.159 1164 A CA 2.394 54.586 52.037 0.259 0.000 0.656 1164 A CB -0.737 18.435 19.000 0.286 0.000 0.800 1164 A HN -0.335 7.761 8.150 -0.080 0.006 0.453 1165 W N -1.951 119.477 121.300 0.214 0.000 2.519 1165 W HA -0.086 4.707 4.660 0.222 0.000 0.313 1165 W C 1.473 178.114 176.519 0.203 0.000 1.156 1165 W CA 0.482 57.950 57.345 0.206 0.000 1.394 1165 W CB 0.120 29.688 29.460 0.179 0.000 1.154 1165 W HN -0.326 7.828 8.180 0.301 0.206 0.498 1166 L N -4.122 117.369 121.223 0.447 0.000 2.558 1166 L HA 0.020 4.508 4.340 0.246 0.000 0.225 1166 L C 0.448 177.470 176.870 0.254 0.000 1.128 1166 L CA 1.300 56.318 54.840 0.296 0.000 0.868 1166 L CB -1.354 40.859 42.059 0.256 0.000 1.006 1166 L HN -0.007 8.505 8.230 0.470 0.000 0.454 1167 Y N -1.102 119.317 120.300 0.199 0.000 2.266 1167 Y HA -0.216 4.418 4.550 0.140 0.000 0.294 1167 Y C 0.447 176.418 175.900 0.120 0.000 1.127 1167 Y CA 2.771 60.962 58.100 0.152 0.000 1.140 1167 Y CB 1.501 40.051 38.460 0.149 0.000 1.071 1167 Y HN -0.467 8.029 8.280 0.454 0.057 0.525 1168 N N -0.409 118.519 118.700 0.380 0.000 2.551 1168 N HA -0.046 4.844 4.740 0.251 0.000 0.199 1168 N C -0.201 175.400 175.510 0.151 0.000 1.277 1168 N CA 0.823 54.028 53.050 0.258 0.000 0.870 1168 N CB -0.023 38.621 38.487 0.262 0.000 1.028 1168 N HN -0.775 7.863 8.380 0.430 0.000 0.452 1169 R N -6.758 113.812 120.500 0.116 0.000 3.932 1169 R HA -0.314 4.058 4.340 0.053 0.000 0.318 1169 R C 0.182 176.518 176.300 0.060 0.000 1.219 1169 R CA 1.063 57.199 56.100 0.059 0.000 0.889 1169 R CB -2.800 27.505 30.300 0.009 0.000 1.309 1169 R HN 0.072 8.278 8.270 0.128 0.141 0.537 1170 K N -4.356 116.127 120.400 0.138 0.000 6.796 1170 K HA -0.384 4.151 4.320 0.359 0.000 0.469 1170 K C -0.976 175.564 176.600 -0.100 0.000 0.368 1170 K CA 2.842 59.207 56.287 0.129 0.000 1.945 1170 K CB -1.418 31.105 32.500 0.040 0.000 0.693 1170 K HN -0.063 8.252 8.250 0.212 0.062 0.773 1171 T N 1.226 115.693 114.554 -0.144 0.000 4.219 1171 T HA 0.039 4.151 4.350 -0.396 0.000 0.263 1171 T C -0.730 173.910 174.700 -0.100 0.000 1.217 1171 T CA 0.643 62.616 62.100 -0.211 0.000 1.145 1171 T CB -0.851 67.922 68.868 -0.157 0.000 1.298 1171 T HN -0.407 7.701 8.240 -0.083 0.082 0.999 1172 S N 3.926 119.595 115.700 -0.052 0.000 2.880 1172 S HA 0.286 4.739 4.470 -0.028 0.000 0.308 1172 S C -0.696 173.894 174.600 -0.016 0.000 1.195 1172 S CA -1.508 56.691 58.200 -0.002 0.000 0.866 1172 S CB 1.947 65.183 63.200 0.060 0.000 1.254 1172 S HN -0.232 7.995 8.310 -0.061 0.046 0.571 1173 R N 0.410 120.861 120.500 -0.080 0.000 2.066 1173 R HA 0.077 4.259 4.340 -0.264 0.000 0.224 1173 R C 2.107 178.098 176.300 -0.516 0.000 1.122 1173 R CA 1.649 57.580 56.100 -0.283 0.000 0.974 1173 R CB -0.200 29.940 30.300 -0.266 0.000 0.871 1173 R HN 0.470 8.711 8.270 -0.047 0.000 0.435 1174 V N 0.609 120.382 119.914 -0.236 0.000 2.469 1174 V HA -0.528 3.462 4.120 -0.216 0.000 0.251 1174 V C 1.303 177.452 176.094 0.092 0.000 1.064 1174 V CA 4.116 66.384 62.300 -0.054 0.000 1.066 1174 V CB -0.694 31.264 31.823 0.225 0.000 0.667 1174 V HN -0.367 7.772 8.190 -0.084 0.000 0.461 1175 Y N 0.641 120.968 120.300 0.045 0.000 2.133 1175 Y HA -0.530 4.216 4.550 0.327 0.000 0.279 1175 Y C 1.518 177.496 175.900 0.130 0.000 1.209 1175 Y CA 3.537 61.725 58.100 0.147 0.000 1.152 1175 Y CB -0.145 38.346 38.460 0.052 0.000 0.961 1175 Y HN -0.619 7.784 8.280 0.223 0.010 0.512 1176 K N -2.711 117.705 120.400 0.027 0.000 2.076 1176 K HA -0.328 3.974 4.320 -0.030 0.000 0.204 1176 K C 2.447 179.135 176.600 0.147 0.000 1.051 1176 K CA 2.953 59.241 56.287 0.001 0.000 0.949 1176 K CB -0.173 32.307 32.500 -0.034 0.000 0.726 1176 K HN -0.431 7.691 8.250 -0.022 0.115 0.443 1177 F N -1.061 118.950 119.950 0.102 0.000 2.102 1177 F HA -0.065 4.668 4.527 0.064 -0.167 0.298 1177 F C 2.338 178.235 175.800 0.162 0.000 1.105 1177 F CA 0.744 58.806 58.000 0.103 0.000 1.239 1177 F CB -1.049 37.988 39.000 0.062 0.000 0.991 1177 F HN -0.632 7.428 8.300 -0.268 0.080 0.474 1178 C N -3.562 115.976 119.300 0.396 0.000 2.457 1178 C HA -0.340 4.253 4.460 0.221 0.000 0.278 1178 C C 2.148 177.195 174.990 0.094 0.000 1.309 1178 C CA 2.722 61.861 59.018 0.201 0.000 1.735 1178 C CB -0.821 26.934 27.740 0.025 0.000 1.992 1178 C HN 0.822 9.172 8.230 0.394 0.117 0.493 1179 S N 2.314 118.145 115.700 0.218 0.000 2.359 1179 S HA -0.415 4.245 4.470 0.317 0.000 0.223 1179 S C 1.666 176.260 174.600 -0.009 0.000 1.039 1179 S CA 3.779 62.044 58.200 0.108 0.000 1.042 1179 S CB -0.262 62.851 63.200 -0.145 0.000 0.915 1179 S HN -0.321 8.104 8.310 0.191 0.000 0.439 1180 K N 1.118 121.519 120.400 0.001 0.000 2.001 1180 K HA -0.204 4.101 4.320 -0.024 0.000 0.208 1180 K C 2.290 178.814 176.600 -0.126 0.000 1.048 1180 K CA 2.215 58.489 56.287 -0.023 0.000 0.932 1180 K CB -0.490 32.037 32.500 0.044 0.000 0.715 1180 K HN -0.778 7.508 8.250 0.061 0.000 0.437 1181 L N -1.788 119.355 121.223 -0.133 0.000 2.034 1181 L HA -0.472 3.852 4.340 -0.027 0.000 0.217 1181 L C 2.482 178.847 176.870 -0.843 0.000 1.077 1181 L CA 3.558 58.264 54.840 -0.223 0.000 0.769 1181 L CB -0.702 41.389 42.059 0.053 0.000 0.890 1181 L HN -0.461 7.762 8.230 -0.011 0.000 0.435 1182 A N -3.532 118.336 122.820 -1.586 0.000 2.014 1182 A HA -0.279 2.137 4.320 -3.174 0.000 0.218 1182 A C 1.831 179.028 177.584 -0.645 0.000 1.163 1182 A CA 3.014 53.831 52.037 -2.034 0.000 0.652 1182 A CB -0.845 17.143 19.000 -1.687 0.000 0.808 1182 A HN 0.159 7.622 8.150 -1.140 0.003 0.449 1183 E N 0.100 120.118 120.200 -0.304 0.000 2.001 1183 E HA -0.266 4.097 4.350 0.021 0.000 0.193 1183 E C 2.249 178.837 176.600 -0.020 0.000 0.994 1183 E CA 2.437 58.799 56.400 -0.062 0.000 0.815 1183 E CB -0.374 29.308 29.700 -0.030 0.000 0.770 1183 E HN -0.700 7.300 8.360 -0.343 0.155 0.453 1184 V N -1.347 118.553 119.914 -0.023 0.000 2.282 1184 V HA -0.519 3.611 4.120 0.017 0.000 0.249 1184 V C 2.080 178.198 176.094 0.039 0.000 1.057 1184 V CA 3.944 66.256 62.300 0.020 0.000 1.032 1184 V CB -0.507 31.343 31.823 0.045 0.000 0.645 1184 V HN -0.028 8.134 8.190 -0.046 0.000 0.447 1185 F N 0.663 120.567 119.950 -0.077 0.000 2.126 1185 F HA -0.440 4.131 4.527 0.073 0.000 0.299 1185 F C 1.179 177.048 175.800 0.116 0.000 1.096 1185 F CA 3.741 61.744 58.000 0.005 0.000 1.255 1185 F CB 0.328 39.299 39.000 -0.048 0.000 0.997 1185 F HN -0.261 8.083 8.300 0.074 0.000 0.479 1186 E N -1.149 119.157 120.200 0.176 0.000 2.333 1186 E HA -0.340 4.276 4.350 0.443 0.000 0.198 1186 E C 1.109 177.745 176.600 0.061 0.000 1.007 1186 E CA 2.896 59.478 56.400 0.303 0.000 0.845 1186 E CB -0.490 29.506 29.700 0.494 0.000 0.766 1186 E HN -0.041 8.202 8.360 0.135 0.198 0.507 1187 Q N -2.728 117.070 119.800 -0.004 0.000 2.384 1187 Q HA -0.000 4.335 4.340 -0.007 0.000 0.207 1187 Q C 0.626 176.578 176.000 -0.080 0.000 0.904 1187 Q CA 1.132 56.920 55.803 -0.024 0.000 0.933 1187 Q CB 0.314 29.053 28.738 0.001 0.000 1.077 1187 Q HN -0.280 7.788 8.270 0.003 0.204 0.522 1188 E N -1.119 118.980 120.200 -0.168 0.000 2.201 1188 E HA -0.035 4.246 4.350 -0.115 0.000 0.193 1188 E C 1.541 177.959 176.600 -0.302 0.000 0.957 1188 E CA 0.425 56.707 56.400 -0.197 0.000 0.858 1188 E CB 0.770 30.378 29.700 -0.154 0.000 0.816 1188 E HN -0.407 7.613 8.360 -0.210 0.214 0.475 1189 I N 0.470 120.716 120.570 -0.541 0.000 3.444 1189 I HA -0.247 3.699 4.170 -0.373 0.000 0.287 1189 I C 0.438 176.441 176.117 -0.189 0.000 1.302 1189 I CA 0.605 61.627 61.300 -0.463 0.000 1.368 1189 I CB 0.086 37.683 38.000 -0.672 0.000 1.048 1189 I HN 0.586 8.272 8.210 -0.673 0.120 0.487 1190 D N 1.652 121.969 120.400 -0.138 0.000 2.106 1190 D HA -0.017 4.593 4.640 -0.049 0.000 0.203 1190 D C -0.543 175.713 176.300 -0.073 0.000 0.977 1190 D CA 5.582 59.540 54.000 -0.070 0.000 0.844 1190 D CB -1.867 38.909 40.800 -0.041 0.000 1.002 1190 D HN 0.434 8.620 8.370 -0.159 0.088 0.461 1191 P HA -0.091 4.609 4.420 -0.056 -0.314 0.221 1191 P C 1.307 178.548 177.300 -0.098 0.000 1.145 1191 P CA 2.191 65.246 63.100 -0.074 0.000 0.795 1191 P CB 0.054 31.711 31.700 -0.072 0.000 0.775 1192 V N -0.874 118.965 119.914 -0.125 0.000 2.284 1192 V HA -0.458 3.561 4.120 -0.169 0.000 0.236 1192 V C 1.421 177.415 176.094 -0.167 0.000 1.044 1192 V CA 4.428 66.636 62.300 -0.154 0.000 1.019 1192 V CB 0.059 31.792 31.823 -0.149 0.000 0.657 1192 V HN -0.892 7.159 8.190 -0.131 0.060 0.465 1193 M N -2.630 116.880 119.600 -0.150 0.000 2.331 1193 M HA -0.393 3.895 4.480 -0.319 0.000 0.260 1193 M C 2.659 178.871 176.300 -0.146 0.000 1.072 1193 M CA 2.843 58.033 55.300 -0.184 0.000 1.065 1193 M CB -1.066 31.490 32.600 -0.074 0.000 1.392 1193 M HN 0.147 8.232 8.290 -0.127 0.129 0.427 1194 Q N -2.146 117.602 119.800 -0.087 0.000 2.165 1194 Q HA -0.093 4.237 4.340 -0.015 0.000 0.197 1194 Q C 1.257 177.240 176.000 -0.029 0.000 0.952 1194 Q CA 2.546 58.326 55.803 -0.039 0.000 0.848 1194 Q CB -0.194 28.530 28.738 -0.022 0.000 0.931 1194 Q HN -0.149 8.008 8.270 -0.090 0.059 0.470 1195 S N -2.113 113.551 115.700 -0.060 0.000 2.556 1195 S HA 0.009 4.492 4.470 0.021 0.000 0.216 1195 S C 0.095 174.658 174.600 -0.062 0.000 0.970 1195 S CA 0.874 59.052 58.200 -0.037 0.000 0.912 1195 S CB 0.730 63.888 63.200 -0.070 0.000 0.790 1195 S HN -0.431 7.736 8.310 -0.091 0.088 0.504 1196 L N -1.978 119.171 121.223 -0.123 0.000 2.624 1196 L HA 0.362 4.443 4.340 -0.432 0.000 0.222 1196 L C -0.797 176.046 176.870 -0.045 0.000 1.046 1196 L CA 0.893 55.609 54.840 -0.208 0.000 0.872 1196 L CB 2.208 44.038 42.059 -0.381 0.000 1.190 1196 L HN 0.123 8.191 8.230 -0.138 0.079 0.487 1197 G N 0.000 108.633 108.800 -0.279 0.000 5.446 1197 G HA2 0.000 nan 3.960 nan 0.000 0.244 1197 G HA3 0.000 3.151 3.960 -1.348 0.000 0.244 1197 G CA 0.000 44.839 45.100 -0.436 0.000 0.502 1197 G HN 0.000 8.024 8.290 -0.249 0.117 0.925