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 2kmv_1_A DATA FIRST_RESID 1047 DATA SEQUENCE SFTMHGTPVV NQVKVLTESN RISHHKILAI VGTAESNSEH PLGTAITKYC DATA SEQUENCE KQELDTETLG TCIDFQVVPG CGISCKVTNI EGLLHKNNWN IEDNNIKNAS DATA SEQUENCE LVQIDASNEQ SSTSSSMIID AQISNALNAQ QYKVLIGNRE WMIRNGLVIN DATA SEQUENCE NDVNDFMTEH ERKGRTAVLV AVDDELCGLI AIADT 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 1047 S HA 0.000 4.354 4.470 -0.193 0.000 0.327 1047 S C 0.000 174.489 174.600 -0.185 0.000 1.055 1047 S CA 0.000 57.999 58.200 -0.335 0.000 1.107 1047 S CB 0.000 62.818 63.200 -0.636 0.000 0.593 1048 F N 2.674 122.624 119.950 -0.000 0.000 2.293 1048 F HA 0.153 4.686 4.527 0.010 0.000 0.297 1048 F C 0.334 176.138 175.800 0.008 0.000 1.089 1048 F CA 0.556 58.560 58.000 0.007 0.000 1.377 1048 F CB 0.100 39.108 39.000 0.012 0.000 1.051 1048 F HN -0.372 7.562 8.300 -0.610 0.000 0.511 1049 T N 0.785 115.428 114.554 0.148 0.000 2.856 1049 T HA 0.011 4.427 4.350 0.109 0.000 0.292 1049 T C -0.478 174.226 174.700 0.006 0.000 0.980 1049 T CA 0.406 62.555 62.100 0.082 0.000 1.091 1049 T CB 0.548 69.452 68.868 0.060 0.000 0.936 1049 T HN -0.353 7.943 8.240 0.094 0.000 0.503 1050 M N 4.409 123.985 119.600 -0.040 0.000 2.040 1050 M HA 0.047 4.407 4.480 -0.200 0.000 0.338 1050 M C -1.289 174.731 176.300 -0.466 0.000 0.905 1050 M CA 0.439 55.591 55.300 -0.247 0.000 1.148 1050 M CB 1.243 33.675 32.600 -0.280 0.000 2.135 1050 M HN 0.295 8.602 8.290 0.029 0.000 0.728 1051 H N 0.176 119.257 119.070 0.018 0.000 2.797 1051 H HA 0.274 4.833 4.556 0.005 0.000 0.372 1051 H C -0.120 175.213 175.328 0.009 0.000 1.168 1051 H CA -0.712 55.341 56.048 0.009 0.000 1.163 1051 H CB 1.863 31.627 29.762 0.003 0.000 1.778 1051 H HN -0.517 7.801 8.280 0.063 0.000 0.551 1052 G N 0.016 108.897 108.800 0.134 0.000 2.594 1052 G HA2 -0.068 3.924 3.960 0.054 0.000 0.243 1052 G HA3 -0.068 3.926 3.960 0.058 0.000 0.243 1052 G C -0.665 174.273 174.900 0.063 0.000 1.229 1052 G CA -0.382 44.762 45.100 0.072 0.000 0.843 1052 G HN 0.125 8.512 8.290 0.162 0.000 0.578 1053 T N 2.533 117.114 114.554 0.044 0.000 2.770 1053 T HA 0.237 4.611 4.350 0.040 0.000 0.283 1053 T C -1.722 172.995 174.700 0.028 0.000 0.988 1053 T CA -2.526 59.597 62.100 0.038 0.000 0.957 1053 T CB 0.769 69.661 68.868 0.040 0.000 0.930 1053 T HN -0.367 7.896 8.240 0.038 0.000 0.443 1054 P HA 0.223 4.768 4.420 0.015 -0.117 0.274 1054 P C -1.535 175.779 177.300 0.022 0.000 1.256 1054 P CA -0.757 62.354 63.100 0.018 0.000 0.795 1054 P CB 1.147 32.853 31.700 0.011 0.000 1.038 1055 V N -4.854 115.071 119.914 0.018 0.000 2.925 1055 V HA 0.370 4.501 4.120 0.019 0.000 0.311 1055 V C -1.177 174.915 176.094 -0.003 0.000 1.104 1055 V CA -1.864 60.444 62.300 0.013 0.000 0.954 1055 V CB 2.931 34.763 31.823 0.015 0.000 1.022 1055 V HN -0.212 7.988 8.190 0.017 0.000 0.427 1056 V N 4.139 124.032 119.914 -0.035 0.000 2.470 1056 V HA -0.035 4.048 4.120 -0.062 0.000 0.276 1056 V C -1.228 174.788 176.094 -0.129 0.000 1.040 1056 V CA 0.698 62.937 62.300 -0.102 0.000 1.008 1056 V CB 1.072 32.785 31.823 -0.183 0.000 0.990 1056 V HN 0.132 8.307 8.190 -0.025 0.000 0.477 1057 N N 9.162 127.817 118.700 -0.076 0.000 2.571 1057 N HA 0.134 4.854 4.740 -0.032 0.000 0.195 1057 N C -0.419 175.067 175.510 -0.040 0.000 1.040 1057 N CA 0.789 53.823 53.050 -0.026 0.000 0.890 1057 N CB 1.960 40.482 38.487 0.059 0.000 1.233 1057 N HN 0.445 8.800 8.380 -0.043 0.000 0.435 1058 Q N -1.031 118.752 119.800 -0.029 0.000 2.289 1058 Q HA 0.355 4.674 4.340 -0.035 0.000 0.270 1058 Q C -2.234 173.748 176.000 -0.030 0.000 1.038 1058 Q CA -0.598 55.200 55.803 -0.008 0.000 0.812 1058 Q CB 4.250 33.045 28.738 0.095 0.000 1.300 1058 Q HN -0.334 7.926 8.270 -0.017 0.000 0.427 1059 V N -0.710 119.184 119.914 -0.034 0.000 2.588 1059 V HA 0.905 5.200 4.120 0.012 -0.167 0.304 1059 V C -0.873 175.246 176.094 0.041 0.000 1.042 1059 V CA -2.233 60.072 62.300 0.007 0.000 0.877 1059 V CB 1.786 33.619 31.823 0.017 0.000 0.996 1059 V HN 0.232 8.402 8.190 -0.034 0.000 0.425 1060 K N 6.976 127.402 120.400 0.043 0.000 2.464 1060 K HA 0.395 4.733 4.320 0.030 0.000 0.253 1060 K C -1.421 175.202 176.600 0.038 0.000 0.933 1060 K CA -1.060 55.247 56.287 0.033 0.000 0.801 1060 K CB 3.870 36.376 32.500 0.010 0.000 1.271 1060 K HN 0.240 8.518 8.250 0.046 0.000 0.430 1061 V N 3.505 123.441 119.914 0.036 0.000 2.775 1061 V HA -0.078 4.068 4.120 0.043 0.000 0.299 1061 V C 0.241 176.350 176.094 0.024 0.000 1.062 1061 V CA 1.027 63.351 62.300 0.039 0.000 1.063 1061 V CB 0.494 32.351 31.823 0.057 0.000 0.994 1061 V HN 0.425 8.634 8.190 0.033 0.000 0.483 1062 L N 6.300 127.536 121.223 0.021 0.000 3.410 1062 L HA 0.434 4.781 4.340 0.013 0.000 0.309 1062 L C -1.250 175.626 176.870 0.009 0.000 1.254 1062 L CA -0.085 54.763 54.840 0.014 0.000 1.048 1062 L CB 1.627 43.696 42.059 0.016 0.000 1.442 1062 L HN 0.574 8.725 8.230 0.023 0.093 0.615 1063 T N -1.581 112.980 114.554 0.012 0.000 2.894 1063 T HA 0.106 4.459 4.350 0.006 0.000 0.309 1063 T C -1.228 173.484 174.700 0.020 0.000 1.208 1063 T CA -1.285 60.820 62.100 0.009 0.000 1.016 1063 T CB 1.839 70.706 68.868 -0.003 0.000 1.192 1063 T HN -0.484 7.768 8.240 0.020 0.000 0.491 1064 E N 3.264 123.476 120.200 0.019 0.000 2.351 1064 E HA 0.130 4.507 4.350 0.044 0.000 0.255 1064 E C 0.884 177.504 176.600 0.032 0.000 1.188 1064 E CA -0.723 55.695 56.400 0.030 0.000 0.940 1064 E CB 1.229 30.942 29.700 0.022 0.000 1.094 1064 E HN 0.187 8.554 8.360 0.012 0.000 0.474 1065 S N -0.970 114.757 115.700 0.046 0.000 2.595 1065 S HA -0.256 4.318 4.470 0.030 -0.086 0.235 1065 S C 0.430 175.043 174.600 0.021 0.000 0.974 1065 S CA 0.929 59.152 58.200 0.038 0.000 0.942 1065 S CB -0.092 63.141 63.200 0.055 0.000 0.766 1065 S HN 0.360 8.704 8.310 0.056 0.000 0.536 1066 N N 0.369 119.080 118.700 0.018 0.000 2.036 1066 N HA -0.251 4.500 4.740 0.018 0.000 0.195 1066 N C 1.199 176.719 175.510 0.015 0.000 1.037 1066 N CA 2.443 55.502 53.050 0.015 0.000 0.855 1066 N CB 0.068 38.562 38.487 0.011 0.000 1.033 1066 N HN -0.171 8.108 8.380 0.019 0.113 0.423 1067 R N -1.646 118.858 120.500 0.007 0.000 2.087 1067 R HA 0.141 4.499 4.340 0.030 0.000 0.216 1067 R C -0.906 175.390 176.300 -0.008 0.000 1.114 1067 R CA 0.769 56.874 56.100 0.009 0.000 1.002 1067 R CB 1.438 31.737 30.300 -0.002 0.000 0.903 1067 R HN -0.100 8.171 8.270 0.001 0.000 0.445 1068 I N -4.891 115.652 120.570 -0.044 0.000 2.692 1068 I HA 0.249 4.375 4.170 -0.073 0.000 0.293 1068 I C -0.917 175.166 176.117 -0.058 0.000 1.200 1068 I CA -0.995 60.250 61.300 -0.092 0.000 1.036 1068 I CB 2.314 40.188 38.000 -0.212 0.000 1.258 1068 I HN -0.514 7.676 8.210 -0.033 0.000 0.421 1069 S N 3.424 119.086 115.700 -0.065 0.000 2.610 1069 S HA 0.269 4.746 4.470 0.012 0.000 0.273 1069 S C 1.189 175.712 174.600 -0.129 0.000 1.274 1069 S CA -1.633 56.528 58.200 -0.065 0.000 1.023 1069 S CB 1.386 64.529 63.200 -0.096 0.000 0.962 1069 S HN 0.087 8.355 8.310 -0.071 0.000 0.523 1070 H N 5.699 124.786 119.070 0.028 0.000 2.357 1070 H HA -0.416 4.150 4.556 0.015 0.000 0.296 1070 H C 1.328 176.693 175.328 0.062 0.000 1.108 1070 H CA 3.070 59.140 56.048 0.037 0.000 1.273 1070 H CB -0.579 29.210 29.762 0.045 0.000 1.367 1070 H HN 0.873 9.257 8.280 0.173 0.000 0.498 1071 H N -0.118 118.565 119.070 -0.645 0.000 2.389 1071 H HA -0.208 4.297 4.556 -0.084 0.000 0.299 1071 H C 1.783 177.016 175.328 -0.159 0.000 1.081 1071 H CA 2.661 58.537 56.048 -0.286 0.000 1.345 1071 H CB 0.292 29.848 29.762 -0.343 0.000 1.393 1071 H HN 0.225 7.648 8.280 -1.427 0.000 0.520 1072 K N -0.419 119.798 120.400 -0.306 0.000 2.155 1072 K HA -0.225 3.871 4.320 -0.373 0.000 0.203 1072 K C 2.354 178.821 176.600 -0.221 0.000 1.052 1072 K CA 2.943 59.065 56.287 -0.275 0.000 0.948 1072 K CB -0.305 32.104 32.500 -0.152 0.000 0.728 1072 K HN -0.577 7.534 8.250 -0.231 0.000 0.448 1073 I N -0.226 120.242 120.570 -0.170 0.000 2.202 1073 I HA -0.434 3.649 4.170 -0.145 0.000 0.242 1073 I C 1.381 177.454 176.117 -0.074 0.000 1.091 1073 I CA 4.252 65.483 61.300 -0.116 0.000 1.368 1073 I CB 0.004 37.966 38.000 -0.064 0.000 1.058 1073 I HN -0.048 8.067 8.210 -0.158 0.000 0.410 1074 L N -0.407 120.782 121.223 -0.056 0.000 2.042 1074 L HA -0.416 3.950 4.340 0.043 0.000 0.210 1074 L C 1.702 178.538 176.870 -0.058 0.000 1.076 1074 L CA 3.120 57.953 54.840 -0.013 0.000 0.749 1074 L CB -0.768 41.307 42.059 0.027 0.000 0.893 1074 L HN -0.236 7.960 8.230 -0.058 0.000 0.432 1075 A N -0.281 122.444 122.820 -0.158 0.000 1.841 1075 A HA -0.328 3.924 4.320 -0.113 0.000 0.216 1075 A C 2.092 179.636 177.584 -0.067 0.000 1.199 1075 A CA 3.058 55.008 52.037 -0.145 0.000 0.621 1075 A CB -0.405 18.446 19.000 -0.248 0.000 0.835 1075 A HN -0.118 7.880 8.150 -0.253 0.000 0.445 1076 I N -5.604 114.927 120.570 -0.066 0.000 2.361 1076 I HA -0.417 3.757 4.170 0.007 0.000 0.251 1076 I C 1.864 177.990 176.117 0.015 0.000 1.133 1076 I CA 2.958 64.248 61.300 -0.018 0.000 1.413 1076 I CB -0.468 37.511 38.000 -0.035 0.000 1.073 1076 I HN -0.489 7.655 8.210 -0.109 0.000 0.424 1077 V N 0.891 120.811 119.914 0.011 0.000 2.295 1077 V HA -0.481 3.674 4.120 0.060 0.000 0.246 1077 V C 2.098 178.234 176.094 0.070 0.000 1.049 1077 V CA 3.984 66.313 62.300 0.049 0.000 1.024 1077 V CB -0.721 31.133 31.823 0.051 0.000 0.648 1077 V HN 0.161 8.342 8.190 -0.016 0.000 0.447 1078 G N -2.554 106.279 108.800 0.055 0.000 2.414 1078 G HA2 -0.180 3.832 3.960 0.087 0.000 0.215 1078 G HA3 -0.180 3.807 3.960 0.044 0.000 0.215 1078 G C 1.866 176.791 174.900 0.042 0.000 1.188 1078 G CA 1.915 47.050 45.100 0.059 0.000 0.783 1078 G HN -0.223 8.087 8.290 0.033 0.000 0.537 1079 T N 4.190 118.759 114.554 0.024 0.000 2.962 1079 T HA -0.312 4.042 4.350 0.006 0.000 0.270 1079 T C 2.105 176.824 174.700 0.031 0.000 1.088 1079 T CA 3.860 65.969 62.100 0.016 0.000 1.127 1079 T CB -0.568 68.304 68.868 0.006 0.000 0.883 1079 T HN 0.276 8.523 8.240 0.012 0.000 0.493 1080 A N 2.062 124.926 122.820 0.074 0.000 2.070 1080 A HA -0.184 4.214 4.320 0.130 0.000 0.220 1080 A C 1.168 178.802 177.584 0.084 0.000 1.159 1080 A CA 2.531 54.652 52.037 0.141 0.000 0.656 1080 A CB -0.784 18.354 19.000 0.229 0.000 0.800 1080 A HN -0.535 7.641 8.150 0.075 0.019 0.453 1081 E N -3.596 116.630 120.200 0.044 0.000 2.463 1081 E HA 0.092 4.380 4.350 -0.102 0.000 0.193 1081 E C 0.484 177.039 176.600 -0.075 0.000 1.041 1081 E CA -0.213 56.173 56.400 -0.023 0.000 0.879 1081 E CB -0.537 29.193 29.700 0.050 0.000 0.997 1081 E HN -0.355 7.883 8.360 0.058 0.157 0.478 1082 S N -0.590 115.070 115.700 -0.067 0.000 2.547 1082 S HA -0.231 4.206 4.470 -0.054 0.000 0.235 1082 S C 0.250 174.776 174.600 -0.124 0.000 0.980 1082 S CA 1.208 59.365 58.200 -0.072 0.000 0.941 1082 S CB -0.011 63.162 63.200 -0.045 0.000 0.763 1082 S HN -0.487 7.609 8.310 -0.042 0.189 0.532 1083 N N 1.821 120.389 118.700 -0.221 0.000 2.255 1083 N HA -0.074 4.514 4.740 -0.252 0.000 0.260 1083 N C -0.687 174.676 175.510 -0.245 0.000 1.288 1083 N CA 0.986 53.847 53.050 -0.316 0.000 0.894 1083 N CB 0.508 38.593 38.487 -0.671 0.000 1.033 1083 N HN -0.477 7.670 8.380 -0.244 0.086 0.477 1084 S N -1.339 114.200 115.700 -0.269 0.000 2.661 1084 S HA 0.112 4.492 4.470 -0.150 0.000 0.245 1084 S C -0.705 173.761 174.600 -0.224 0.000 1.117 1084 S CA -0.479 57.606 58.200 -0.191 0.000 1.091 1084 S CB 0.950 64.065 63.200 -0.141 0.000 0.887 1084 S HN 0.187 8.295 8.310 -0.337 0.000 0.491 1085 E N 1.091 121.108 120.200 -0.306 0.000 2.023 1085 E HA 0.025 4.089 4.350 -0.477 0.000 0.195 1085 E C -0.303 175.980 176.600 -0.528 0.000 0.964 1085 E CA 1.393 57.496 56.400 -0.496 0.000 0.845 1085 E CB 0.722 30.113 29.700 -0.515 0.000 0.813 1085 E HN 0.347 8.527 8.360 -0.300 0.000 0.476 1086 H N -3.563 115.499 119.070 -0.014 0.000 2.977 1086 H HA 0.484 5.034 4.556 -0.009 0.000 0.350 1086 H C -1.475 173.853 175.328 -0.000 0.000 1.238 1086 H CA -2.150 53.897 56.048 -0.003 0.000 1.124 1086 H CB 0.034 29.803 29.762 0.011 0.000 1.866 1086 H HN -0.307 7.884 8.280 -0.149 0.000 0.550 1087 P HA -0.161 4.294 4.420 0.059 0.000 0.218 1087 P C 0.932 178.280 177.300 0.079 0.000 1.146 1087 P CA 2.208 65.356 63.100 0.081 0.000 0.813 1087 P CB 0.398 32.138 31.700 0.066 0.000 0.778 1088 L N -4.167 117.118 121.223 0.102 0.000 2.141 1088 L HA -0.272 4.109 4.340 0.069 0.000 0.209 1088 L C 2.049 178.972 176.870 0.089 0.000 1.094 1088 L CA 2.115 57.009 54.840 0.090 0.000 0.763 1088 L CB -0.762 41.354 42.059 0.095 0.000 0.908 1088 L HN -0.068 8.215 8.230 0.137 0.030 0.437 1089 G N -1.509 107.344 108.800 0.087 0.000 2.404 1089 G HA2 -0.338 3.680 3.960 0.068 0.000 0.215 1089 G HA3 -0.338 3.717 3.960 0.014 -0.087 0.215 1089 G C 0.794 175.717 174.900 0.038 0.000 1.174 1089 G CA 2.409 47.540 45.100 0.051 0.000 0.780 1089 G HN 0.107 8.332 8.290 0.108 0.130 0.537 1090 T N 5.348 119.921 114.554 0.032 0.000 2.720 1090 T HA -0.302 4.061 4.350 0.022 0.000 0.268 1090 T C 1.888 176.620 174.700 0.054 0.000 1.037 1090 T CA 4.949 67.069 62.100 0.032 0.000 1.144 1090 T CB -0.498 68.386 68.868 0.026 0.000 0.864 1090 T HN -0.712 7.544 8.240 0.028 0.000 0.444 1091 A N 1.217 124.076 122.820 0.065 0.000 1.898 1091 A HA -0.202 4.166 4.320 0.081 0.000 0.216 1091 A C 2.036 179.691 177.584 0.117 0.000 1.181 1091 A CA 2.952 55.037 52.037 0.081 0.000 0.620 1091 A CB -0.898 18.142 19.000 0.067 0.000 0.819 1091 A HN -0.359 7.760 8.150 0.061 0.068 0.442 1092 I N -1.321 119.317 120.570 0.113 0.000 2.142 1092 I HA -0.549 3.743 4.170 0.203 0.000 0.240 1092 I C 1.704 177.918 176.117 0.162 0.000 1.078 1092 I CA 4.330 65.723 61.300 0.155 0.000 1.343 1092 I CB 0.012 38.083 38.000 0.119 0.000 1.046 1092 I HN 0.500 8.658 8.210 0.090 0.106 0.405 1093 T N 0.641 115.252 114.554 0.095 0.000 2.720 1093 T HA -0.390 3.992 4.350 0.053 0.000 0.268 1093 T C 1.803 176.533 174.700 0.050 0.000 1.037 1093 T CA 4.228 66.363 62.100 0.058 0.000 1.144 1093 T CB -0.907 67.978 68.868 0.028 0.000 0.864 1093 T HN 0.227 8.513 8.240 0.078 0.000 0.444 1094 K N 1.851 122.291 120.400 0.066 0.000 2.057 1094 K HA -0.356 3.982 4.320 0.031 0.000 0.207 1094 K C 2.403 179.047 176.600 0.073 0.000 1.049 1094 K CA 3.247 59.570 56.287 0.060 0.000 0.931 1094 K CB -0.127 32.413 32.500 0.067 0.000 0.714 1094 K HN -0.199 8.092 8.250 0.069 0.000 0.440 1095 Y N 0.352 120.667 120.300 0.026 0.000 2.114 1095 Y HA -0.372 4.195 4.550 0.029 0.000 0.284 1095 Y C 1.596 177.514 175.900 0.030 0.000 1.143 1095 Y CA 2.825 60.943 58.100 0.029 0.000 1.135 1095 Y CB 0.109 38.589 38.460 0.033 0.000 0.980 1095 Y HN -0.344 8.082 8.280 0.244 0.000 0.499 1096 C N -1.141 118.021 119.300 -0.230 0.000 2.436 1096 C HA -0.558 3.585 4.460 -0.529 0.000 0.277 1096 C C 1.772 176.642 174.990 -0.200 0.000 1.241 1096 C CA 4.334 63.190 59.018 -0.271 0.000 1.721 1096 C CB 0.168 27.897 27.740 -0.019 0.000 2.043 1096 C HN 0.445 8.734 8.230 0.098 0.000 0.472 1097 K N -0.174 120.167 120.400 -0.099 0.000 2.103 1097 K HA -0.372 3.916 4.320 -0.053 0.000 0.207 1097 K C 2.558 179.112 176.600 -0.076 0.000 1.048 1097 K CA 2.892 59.141 56.287 -0.064 0.000 0.930 1097 K CB -0.751 31.731 32.500 -0.030 0.000 0.716 1097 K HN 0.106 8.322 8.250 -0.057 0.000 0.444 1098 Q N -2.039 117.699 119.800 -0.103 0.000 2.123 1098 Q HA -0.202 4.105 4.340 -0.054 0.000 0.199 1098 Q C 1.694 177.619 176.000 -0.125 0.000 0.966 1098 Q CA 2.578 58.327 55.803 -0.090 0.000 0.845 1098 Q CB -0.379 28.321 28.738 -0.063 0.000 0.907 1098 Q HN -0.671 7.519 8.270 -0.112 0.012 0.439 1099 E N -1.371 118.687 120.200 -0.237 0.000 2.208 1099 E HA -0.147 4.117 4.350 -0.145 0.000 0.193 1099 E C 1.870 178.416 176.600 -0.091 0.000 0.988 1099 E CA 1.555 57.828 56.400 -0.212 0.000 0.828 1099 E CB -0.063 29.383 29.700 -0.424 0.000 0.763 1099 E HN -0.538 7.528 8.360 -0.355 0.081 0.478 1100 L N -1.347 119.835 121.223 -0.068 0.000 2.156 1100 L HA -0.128 4.250 4.340 0.064 0.000 0.208 1100 L C 0.684 177.553 176.870 -0.001 0.000 1.095 1100 L CA 1.600 56.445 54.840 0.009 0.000 0.770 1100 L CB 0.410 42.478 42.059 0.015 0.000 0.914 1100 L HN 0.098 8.181 8.230 -0.113 0.080 0.439 1101 D N -3.413 116.973 120.400 -0.024 0.000 2.772 1101 D HA -0.304 4.323 4.640 -0.022 0.000 0.233 1101 D C -1.353 174.943 176.300 -0.008 0.000 1.143 1101 D CA 1.689 55.679 54.000 -0.017 0.000 0.700 1101 D CB -1.177 39.614 40.800 -0.015 0.000 1.076 1101 D HN -0.303 7.953 8.370 -0.044 0.088 0.430 1102 T N -2.742 111.808 114.554 -0.006 0.000 2.982 1102 T HA 0.223 4.570 4.350 -0.004 0.000 0.321 1102 T C -1.241 173.455 174.700 -0.007 0.000 1.229 1102 T CA -2.058 60.040 62.100 -0.004 0.000 1.044 1102 T CB 1.292 70.161 68.868 0.002 0.000 1.184 1102 T HN -0.807 7.406 8.240 -0.011 0.021 0.477 1103 E N 3.143 123.339 120.200 -0.006 0.000 2.511 1103 E HA -0.087 4.258 4.350 -0.008 0.000 0.196 1103 E C 0.337 176.931 176.600 -0.010 0.000 1.066 1103 E CA 0.646 57.042 56.400 -0.007 0.000 0.871 1103 E CB -0.358 29.340 29.700 -0.003 0.000 0.863 1103 E HN 0.410 8.767 8.360 -0.004 0.000 0.520 1104 T N 0.443 114.989 114.554 -0.014 0.000 3.945 1104 T HA -0.009 4.327 4.350 -0.023 0.000 0.306 1104 T C -0.478 174.211 174.700 -0.020 0.000 1.475 1104 T CA 0.063 62.150 62.100 -0.022 0.000 1.177 1104 T CB -0.967 67.881 68.868 -0.034 0.000 1.272 1104 T HN -0.569 7.575 8.240 -0.011 0.089 0.930 1105 L N -0.621 120.591 121.223 -0.018 0.000 2.518 1105 L HA 0.491 4.819 4.340 -0.019 0.000 0.257 1105 L C -1.450 175.411 176.870 -0.014 0.000 0.980 1105 L CA -0.406 54.423 54.840 -0.018 0.000 0.837 1105 L CB 2.180 44.227 42.059 -0.020 0.000 1.410 1105 L HN -0.507 7.666 8.230 -0.016 0.047 0.410 1106 G N 0.260 109.053 108.800 -0.012 0.000 2.141 1106 G HA2 -0.070 3.884 3.960 -0.011 0.000 0.177 1106 G HA3 -0.070 3.883 3.960 -0.012 0.000 0.177 1106 G C -1.535 173.362 174.900 -0.005 0.000 1.510 1106 G CA 0.211 45.304 45.100 -0.010 0.000 1.082 1106 G HN 0.079 8.362 8.290 -0.012 0.000 0.622 1107 T N 0.595 115.150 114.554 0.002 0.000 2.807 1107 T HA 0.307 4.662 4.350 0.009 0.000 0.279 1107 T C 0.315 175.025 174.700 0.017 0.000 0.993 1107 T CA -1.856 60.252 62.100 0.013 0.000 0.970 1107 T CB 2.280 71.165 68.868 0.029 0.000 0.950 1107 T HN -0.331 7.911 8.240 0.003 0.000 0.441 1108 C N 4.166 123.476 119.300 0.017 0.000 2.657 1108 C HA -0.012 4.456 4.460 0.014 0.000 0.420 1108 C C -0.140 174.878 174.990 0.047 0.000 1.323 1108 C CA 0.289 59.320 59.018 0.022 0.000 1.894 1108 C CB 1.018 28.767 27.740 0.015 0.000 2.681 1108 C HN 0.578 8.815 8.230 0.011 0.000 0.613 1109 I N -2.172 118.436 120.570 0.063 0.000 2.548 1109 I HA 0.567 5.057 4.170 0.117 -0.249 0.287 1109 I C -1.236 174.963 176.117 0.137 0.000 1.103 1109 I CA -1.854 59.517 61.300 0.120 0.000 1.049 1109 I CB 3.074 41.180 38.000 0.177 0.000 1.232 1109 I HN -0.049 8.188 8.210 0.045 0.000 0.429 1110 D N 5.751 126.226 120.400 0.125 0.000 2.671 1110 D HA 0.046 4.749 4.640 0.105 0.000 0.228 1110 D C -1.404 174.992 176.300 0.160 0.000 1.102 1110 D CA -1.040 53.029 54.000 0.115 0.000 1.044 1110 D CB -0.643 40.199 40.800 0.070 0.000 1.113 1110 D HN 0.294 8.728 8.370 0.106 0.000 0.480 1111 F N 4.567 124.527 119.950 0.016 0.000 2.466 1111 F HA 0.101 4.760 4.527 0.029 -0.115 0.363 1111 F C -0.537 175.274 175.800 0.019 0.000 1.109 1111 F CA 0.722 58.733 58.000 0.018 0.000 1.161 1111 F CB 0.747 39.748 39.000 0.002 0.000 1.117 1111 F HN -0.464 7.985 8.300 0.303 0.033 0.539 1112 Q N 6.922 126.675 119.800 -0.079 0.000 2.309 1112 Q HA 0.335 4.696 4.340 0.034 0.000 0.264 1112 Q C -1.583 174.328 176.000 -0.148 0.000 1.008 1112 Q CA -1.662 54.114 55.803 -0.046 0.000 0.853 1112 Q CB 3.212 31.945 28.738 -0.008 0.000 1.314 1112 Q HN 0.888 9.030 8.270 -0.215 0.000 0.448 1113 V N 2.888 122.765 119.914 -0.061 0.000 2.686 1113 V HA 0.311 4.332 4.120 -0.165 0.000 0.306 1113 V C -1.006 175.026 176.094 -0.102 0.000 1.065 1113 V CA -1.085 61.163 62.300 -0.086 0.000 0.894 1113 V CB 2.909 34.746 31.823 0.024 0.000 1.004 1113 V HN 0.319 8.504 8.190 -0.007 0.000 0.424 1114 V N 8.522 128.307 119.914 -0.215 0.000 2.443 1114 V HA 0.615 4.636 4.120 -0.164 0.000 0.293 1114 V C -2.617 173.303 176.094 -0.289 0.000 1.021 1114 V CA -4.005 58.134 62.300 -0.270 0.000 0.848 1114 V CB 3.701 35.296 31.823 -0.380 0.000 0.998 1114 V HN 0.739 8.758 8.190 -0.285 0.000 0.424 1115 P HA 0.036 4.381 4.420 -0.125 0.000 0.268 1115 P C 0.507 177.691 177.300 -0.194 0.000 1.205 1115 P CA 0.487 63.498 63.100 -0.148 0.000 0.771 1115 P CB 0.131 31.777 31.700 -0.090 0.000 0.858 1116 G N 2.447 111.145 108.800 -0.170 0.000 2.189 1116 G HA2 -0.256 3.630 3.960 -0.123 0.000 0.267 1116 G HA3 -0.256 3.622 3.960 -0.137 0.000 0.267 1116 G C -0.435 174.333 174.900 -0.221 0.000 0.975 1116 G CA 1.124 46.129 45.100 -0.160 0.000 0.644 1116 G HN 0.686 8.893 8.290 -0.140 0.000 0.537 1117 C N -1.195 117.874 119.300 -0.385 0.000 2.794 1117 C HA 0.486 4.729 4.460 -0.363 0.000 0.443 1117 C C -1.242 173.349 174.990 -0.665 0.000 1.484 1117 C CA 0.497 59.126 59.018 -0.647 0.000 2.501 1117 C CB 3.005 30.023 27.740 -1.204 0.000 2.715 1117 C HN -0.548 7.358 8.230 -0.394 0.087 0.570 1118 G N -3.094 105.232 108.800 -0.790 0.000 2.351 1118 G HA2 0.142 4.005 3.960 -0.167 0.000 0.279 1118 G HA3 0.142 4.124 3.960 -0.081 -0.071 0.279 1118 G C -3.148 171.558 174.900 -0.323 0.000 1.297 1118 G CA 0.338 45.209 45.100 -0.383 0.000 0.886 1118 G HN -0.254 7.565 8.290 -0.785 0.000 0.493 1119 I N -1.842 118.710 120.570 -0.030 0.000 2.646 1119 I HA 0.915 5.093 4.170 -0.252 -0.159 0.299 1119 I C -1.558 174.568 176.117 0.016 0.000 1.036 1119 I CA -3.441 57.767 61.300 -0.154 0.000 1.074 1119 I CB 3.834 41.629 38.000 -0.343 0.000 1.258 1119 I HN 0.536 8.706 8.210 0.119 0.112 0.430 1120 S N 2.969 118.603 115.700 -0.109 0.000 2.548 1120 S HA 0.749 5.352 4.470 -0.030 -0.151 0.276 1120 S C -1.749 172.771 174.600 -0.132 0.000 1.129 1120 S CA -0.998 57.172 58.200 -0.050 0.000 0.931 1120 S CB 1.834 65.067 63.200 0.055 0.000 1.068 1120 S HN 0.406 8.527 8.310 -0.316 0.000 0.480 1121 C N 2.961 122.223 119.300 -0.064 0.000 3.171 1121 C HA 0.960 5.682 4.460 0.010 -0.256 0.308 1121 C C -2.248 172.770 174.990 0.045 0.000 1.334 1121 C CA -2.865 56.155 59.018 0.003 0.000 1.473 1121 C CB 3.877 31.650 27.740 0.056 0.000 1.866 1121 C HN 1.042 9.251 8.230 -0.035 0.000 0.465 1122 K N 0.807 121.248 120.400 0.068 0.000 2.307 1122 K HA 0.694 5.224 4.320 0.070 -0.168 0.263 1122 K C -1.299 175.351 176.600 0.083 0.000 0.973 1122 K CA -1.442 54.885 56.287 0.067 0.000 0.846 1122 K CB 0.991 33.519 32.500 0.046 0.000 1.100 1122 K HN 0.108 8.495 8.250 0.085 -0.087 0.438 1123 V N 6.737 126.710 119.914 0.098 0.000 2.680 1123 V HA 1.052 5.458 4.120 0.087 -0.234 0.309 1123 V C -1.933 174.205 176.094 0.075 0.000 1.052 1123 V CA -2.581 59.781 62.300 0.103 0.000 0.908 1123 V CB 4.310 36.213 31.823 0.133 0.000 1.001 1123 V HN 0.956 9.108 8.190 0.116 0.107 0.431 1124 T N 6.611 121.192 114.554 0.045 0.000 2.696 1124 T HA 0.518 4.850 4.350 -0.030 0.000 0.291 1124 T C -1.298 173.406 174.700 0.006 0.000 1.095 1124 T CA -2.720 59.381 62.100 0.001 0.000 1.026 1124 T CB 1.942 70.801 68.868 -0.015 0.000 1.390 1124 T HN -0.104 8.166 8.240 0.050 0.000 0.513 1125 N N -2.079 116.612 118.700 -0.014 0.000 2.741 1125 N HA -0.317 4.410 4.740 -0.022 0.000 0.251 1125 N C -0.028 175.481 175.510 -0.002 0.000 1.112 1125 N CA 1.754 54.797 53.050 -0.011 0.000 0.750 1125 N CB -1.225 37.257 38.487 -0.008 0.000 1.119 1125 N HN 0.350 8.709 8.380 -0.034 0.000 0.561 1126 I N -3.708 116.870 120.570 0.012 0.000 2.162 1126 I HA -0.354 3.829 4.170 0.020 0.000 0.238 1126 I C 1.425 177.549 176.117 0.011 0.000 1.076 1126 I CA 2.862 64.180 61.300 0.030 0.000 1.353 1126 I CB 0.260 38.321 38.000 0.101 0.000 1.063 1126 I HN -0.245 7.922 8.210 0.009 0.048 0.408 1127 E N -0.343 119.862 120.200 0.007 0.000 2.208 1127 E HA -0.202 4.152 4.350 0.006 0.000 0.193 1127 E C 2.030 178.619 176.600 -0.019 0.000 0.988 1127 E CA 2.301 58.700 56.400 -0.002 0.000 0.828 1127 E CB -0.786 28.912 29.700 -0.004 0.000 0.763 1127 E HN 0.291 8.654 8.360 0.004 0.000 0.478 1128 G N -2.229 106.556 108.800 -0.024 0.000 2.657 1128 G HA2 -0.212 3.727 3.960 -0.035 0.000 0.210 1128 G HA3 -0.212 3.731 3.960 -0.029 0.000 0.210 1128 G C 0.389 175.267 174.900 -0.037 0.000 1.145 1128 G CA 0.776 45.857 45.100 -0.031 0.000 0.776 1128 G HN 0.296 8.571 8.290 -0.025 0.000 0.540 1129 L N -4.080 117.120 121.223 -0.040 0.000 2.642 1129 L HA -0.045 4.267 4.340 -0.046 0.000 0.236 1129 L C 0.344 177.154 176.870 -0.100 0.000 1.169 1129 L CA -0.042 54.764 54.840 -0.055 0.000 0.851 1129 L CB -1.658 40.374 42.059 -0.045 0.000 0.968 1129 L HN -0.906 7.197 8.230 -0.032 0.107 0.453 1130 L N -5.414 115.748 121.223 -0.102 0.000 2.475 1130 L HA 0.168 4.358 4.340 -0.251 0.000 0.253 1130 L C 0.319 177.109 176.870 -0.134 0.000 1.198 1130 L CA -1.195 53.554 54.840 -0.152 0.000 0.814 1130 L CB -0.248 41.763 42.059 -0.080 0.000 1.134 1130 L HN -0.768 7.299 8.230 -0.069 0.122 0.478 1131 H N 0.407 119.461 119.070 -0.027 0.000 3.145 1131 H HA -0.090 4.449 4.556 -0.030 0.000 0.263 1131 H C 0.377 175.669 175.328 -0.061 0.000 1.057 1131 H CA 0.197 56.224 56.048 -0.036 0.000 1.477 1131 H CB -0.550 29.194 29.762 -0.030 0.000 1.529 1131 H HN 0.109 8.256 8.280 -0.222 0.000 0.508 1132 K N 3.906 124.327 120.400 0.034 0.000 2.276 1132 K HA -0.197 4.215 4.320 -0.044 -0.118 0.259 1132 K C 0.263 176.788 176.600 -0.124 0.000 1.001 1132 K CA 0.303 56.562 56.287 -0.047 0.000 0.927 1132 K CB 0.485 32.955 32.500 -0.049 0.000 0.969 1132 K HN 0.035 8.321 8.250 0.059 0.000 0.490 1133 N N 0.607 119.219 118.700 -0.147 0.000 2.459 1133 N HA -0.157 4.438 4.740 -0.242 0.000 0.181 1133 N C 0.113 175.403 175.510 -0.366 0.000 1.046 1133 N CA 1.696 54.613 53.050 -0.221 0.000 0.904 1133 N CB 0.442 38.842 38.487 -0.146 0.000 0.964 1133 N HN 0.259 8.933 8.380 -0.105 -0.357 0.444 1134 N N -0.926 117.588 118.700 -0.308 0.000 2.531 1134 N HA 0.020 4.471 4.740 -0.482 0.000 0.301 1134 N C -0.844 174.390 175.510 -0.460 0.000 1.310 1134 N CA -0.803 52.036 53.050 -0.352 0.000 0.949 1134 N CB 0.397 38.822 38.487 -0.103 0.000 1.111 1134 N HN -0.637 7.573 8.380 -0.197 0.052 0.565 1135 W N -2.471 118.835 121.300 0.010 0.000 2.846 1135 W HA 0.179 4.844 4.660 0.008 0.000 0.391 1135 W C -1.009 175.516 176.519 0.009 0.000 1.011 1135 W CA -1.022 56.328 57.345 0.008 0.000 1.832 1135 W CB 0.402 29.864 29.460 0.004 0.000 1.151 1135 W HN -0.169 8.089 8.180 0.131 0.000 0.582 1136 N N -3.396 115.401 118.700 0.162 0.000 2.747 1136 N HA -0.410 4.374 4.740 0.073 0.000 0.249 1136 N C -1.295 174.277 175.510 0.103 0.000 1.107 1136 N CA 1.036 54.150 53.050 0.107 0.000 0.707 1136 N CB -1.572 36.972 38.487 0.095 0.000 1.054 1136 N HN -0.157 8.601 8.380 0.101 -0.318 0.555 1137 I N -0.449 120.190 120.570 0.114 0.000 2.256 1137 I HA -0.068 4.144 4.170 0.070 0.000 0.294 1137 I C -1.187 174.965 176.117 0.059 0.000 1.127 1137 I CA 0.179 61.530 61.300 0.084 0.000 1.247 1137 I CB -1.322 36.735 38.000 0.094 0.000 1.460 1137 I HN -0.192 8.081 8.210 0.139 0.020 0.511 1138 E N 5.138 125.364 120.200 0.044 0.000 2.641 1138 E HA 0.112 4.480 4.350 0.030 0.000 0.224 1138 E C -0.584 176.030 176.600 0.022 0.000 0.951 1138 E CA 0.341 56.759 56.400 0.031 0.000 1.102 1138 E CB 0.998 30.714 29.700 0.028 0.000 1.091 1138 E HN 0.333 8.719 8.360 0.044 0.000 0.507 1139 D N -0.683 119.731 120.400 0.022 0.000 2.461 1139 D HA -0.032 4.616 4.640 0.013 0.000 0.266 1139 D C 0.018 176.326 176.300 0.013 0.000 1.085 1139 D CA 0.068 54.077 54.000 0.016 0.000 0.887 1139 D CB 0.376 41.185 40.800 0.015 0.000 1.309 1139 D HN -0.278 8.108 8.370 0.027 0.000 0.498 1140 N N 1.520 120.229 118.700 0.015 0.000 2.365 1140 N HA -0.202 4.543 4.740 0.008 0.000 0.265 1140 N C -1.761 173.754 175.510 0.010 0.000 1.288 1140 N CA 1.469 54.526 53.050 0.011 0.000 0.869 1140 N CB 0.027 38.522 38.487 0.013 0.000 1.071 1140 N HN -0.014 8.378 8.380 0.020 0.000 0.480 1141 N N -0.422 118.282 118.700 0.006 0.000 2.598 1141 N HA 0.064 4.807 4.740 0.006 0.000 0.263 1141 N C -1.791 173.720 175.510 0.003 0.000 1.254 1141 N CA -0.535 52.518 53.050 0.005 0.000 0.863 1141 N CB 2.564 41.054 38.487 0.005 0.000 1.586 1141 N HN -0.258 8.125 8.380 0.004 0.000 0.491 1142 I N 1.284 121.855 120.570 0.002 0.000 2.621 1142 I HA 0.140 4.310 4.170 -0.000 0.000 0.276 1142 I C -0.369 175.748 176.117 0.001 0.000 1.118 1142 I CA -1.937 59.363 61.300 0.001 0.000 1.159 1142 I CB -0.804 37.196 38.000 -0.000 0.000 1.357 1142 I HN 0.410 8.622 8.210 0.003 0.000 0.513 1143 K N 4.288 124.688 120.400 0.001 0.000 2.152 1143 K HA -0.343 4.059 4.320 0.001 -0.081 0.206 1143 K C 0.071 176.671 176.600 0.000 0.000 1.048 1143 K CA 1.636 57.923 56.287 0.001 0.000 0.933 1143 K CB 0.119 32.620 32.500 0.001 0.000 0.721 1143 K HN 0.151 8.401 8.250 0.001 0.000 0.447 1144 N N 0.103 118.803 118.700 -0.000 0.000 2.650 1144 N HA -0.334 4.406 4.740 -0.001 0.000 0.272 1144 N C -0.920 174.590 175.510 -0.000 0.000 1.058 1144 N CA 0.064 53.114 53.050 -0.000 0.000 0.765 1144 N CB -0.806 37.681 38.487 -0.000 0.000 0.902 1144 N HN 0.092 8.441 8.380 -0.000 0.031 0.551 1145 A N 1.157 123.977 122.820 -0.000 0.000 2.327 1145 A HA 0.017 4.338 4.320 0.000 0.000 0.255 1145 A C -0.516 177.068 177.584 -0.000 0.000 1.099 1145 A CA 0.176 52.213 52.037 0.000 0.000 0.801 1145 A CB 0.800 19.800 19.000 0.000 0.000 1.062 1145 A HN -0.075 8.075 8.150 -0.000 0.000 0.496 1146 S N -0.786 114.914 115.700 0.000 0.000 2.550 1146 S HA 0.132 4.601 4.470 -0.000 0.000 0.270 1146 S C -1.358 173.242 174.600 0.000 0.000 1.145 1146 S CA -0.291 57.909 58.200 0.000 0.000 0.852 1146 S CB 0.670 63.870 63.200 0.000 0.000 1.119 1146 S HN 0.073 8.383 8.310 0.000 0.000 0.465 1147 L N 3.505 124.728 121.223 0.000 0.000 0.609 1147 L HA -0.079 4.261 4.340 0.000 0.000 0.356 1147 L C -1.784 175.086 176.870 0.000 0.000 1.005 1147 L CA 0.534 55.374 54.840 0.000 0.000 1.222 1147 L CB 0.358 42.417 42.059 0.000 0.000 0.046 1147 L HN 0.281 8.511 8.230 0.000 0.000 0.101 1148 V N 2.331 122.245 119.914 0.000 0.000 2.817 1148 V HA 0.187 4.308 4.120 0.001 0.000 0.303 1148 V C -1.535 174.559 176.094 0.001 0.000 1.151 1148 V CA -0.208 62.092 62.300 0.000 0.000 0.929 1148 V CB 1.769 33.592 31.823 0.000 0.000 1.030 1148 V HN -0.064 8.126 8.190 0.000 0.000 0.427 1149 Q N 4.302 124.102 119.800 0.001 0.000 2.421 1149 Q HA 0.419 4.759 4.340 0.001 0.000 0.280 1149 Q C -0.657 175.344 176.000 0.001 0.000 1.085 1149 Q CA -0.723 55.080 55.803 0.001 0.000 0.807 1149 Q CB 3.780 32.518 28.738 0.001 0.000 1.405 1149 Q HN 0.166 8.437 8.270 0.001 0.000 0.419 1150 I N 2.792 123.363 120.570 0.001 0.000 2.585 1150 I HA -0.171 4.000 4.170 0.001 0.000 0.254 1150 I C 1.204 177.322 176.117 0.001 0.000 1.129 1150 I CA 1.305 62.606 61.300 0.001 0.000 1.455 1150 I CB 0.254 38.255 38.000 0.001 0.000 1.111 1150 I HN 0.544 8.754 8.210 0.001 0.000 0.433 1151 D N 1.782 122.183 120.400 0.001 0.000 2.351 1151 D HA -0.173 4.468 4.640 0.001 0.000 0.216 1151 D C 0.330 176.631 176.300 0.001 0.000 0.968 1151 D CA 2.266 56.267 54.000 0.001 0.000 0.899 1151 D CB -0.361 40.439 40.800 0.001 0.000 0.907 1151 D HN 0.250 8.620 8.370 0.001 0.000 0.514 1152 A N -2.091 120.729 122.820 0.001 0.000 2.303 1152 A HA 0.202 4.523 4.320 0.001 0.000 0.217 1152 A C -0.634 176.951 177.584 0.002 0.000 1.205 1152 A CA 0.202 52.240 52.037 0.001 0.000 0.875 1152 A CB 0.287 19.288 19.000 0.001 0.000 0.910 1152 A HN -0.339 7.748 8.150 0.001 0.064 0.501 1153 S N -1.721 113.980 115.700 0.002 0.000 3.614 1153 S HA -0.424 4.047 4.470 0.002 0.000 0.360 1153 S C -0.463 174.138 174.600 0.002 0.000 1.023 1153 S CA 1.066 59.267 58.200 0.002 0.000 1.114 1153 S CB -1.858 61.343 63.200 0.002 0.000 0.907 1153 S HN -0.361 7.842 8.310 0.001 0.107 0.470 1154 N N 0.191 118.892 118.700 0.002 0.000 5.925 1154 N HA -0.367 4.374 4.740 0.002 0.000 0.361 1154 N C -1.514 173.997 175.510 0.002 0.000 0.922 1154 N CA 1.195 54.246 53.050 0.002 0.000 1.177 1154 N CB -0.393 38.095 38.487 0.002 0.000 0.806 1154 N HN -0.088 8.292 8.380 0.002 0.000 0.456 1155 E N -3.909 116.292 120.200 0.002 0.000 2.271 1155 E HA -0.322 4.030 4.350 0.003 0.000 0.223 1155 E C -1.135 175.466 176.600 0.002 0.000 1.223 1155 E CA 0.902 57.304 56.400 0.002 0.000 0.704 1155 E CB -1.942 27.760 29.700 0.003 0.000 1.194 1155 E HN 0.205 8.566 8.360 0.002 0.000 0.375 1156 Q N -1.213 118.588 119.800 0.002 0.000 2.195 1156 Q HA 0.150 4.491 4.340 0.002 0.000 0.250 1156 Q C -0.262 175.739 176.000 0.001 0.000 0.988 1156 Q CA -1.056 54.748 55.803 0.002 0.000 0.911 1156 Q CB 1.542 30.281 28.738 0.001 0.000 1.258 1156 Q HN -0.294 7.977 8.270 0.002 0.000 0.475 1157 S N -0.384 115.316 115.700 0.001 0.000 2.419 1157 S HA -0.123 4.348 4.470 0.001 0.000 0.233 1157 S C -0.251 174.349 174.600 0.001 0.000 1.016 1157 S CA 1.341 59.541 58.200 0.001 0.000 0.974 1157 S CB 0.010 63.211 63.200 0.000 0.000 0.786 1157 S HN 0.307 8.618 8.310 0.001 0.000 0.492 1158 S N -0.409 115.291 115.700 0.001 0.000 3.153 1158 S HA -0.286 4.185 4.470 0.001 0.000 0.856 1158 S C -0.829 173.771 174.600 0.000 0.000 1.042 1158 S CA 0.294 58.494 58.200 0.001 0.000 1.234 1158 S CB 0.138 63.339 63.200 0.001 0.000 0.879 1158 S HN -0.337 7.949 8.310 0.001 0.025 0.260 1159 T N 4.080 118.634 114.554 0.001 0.000 2.802 1159 T HA 0.024 4.375 4.350 0.000 0.000 0.305 1159 T C -0.582 174.118 174.700 0.001 0.000 1.053 1159 T CA 0.481 62.581 62.100 0.001 0.000 1.058 1159 T CB 0.991 69.860 68.868 0.001 0.000 0.988 1159 T HN 0.075 8.315 8.240 0.001 0.000 0.539 1160 S N 2.646 118.346 115.700 0.001 0.000 2.541 1160 S HA 0.232 4.702 4.470 0.001 0.000 0.280 1160 S C -1.416 173.185 174.600 0.001 0.000 1.112 1160 S CA -0.684 57.516 58.200 0.001 0.000 0.925 1160 S CB 2.264 65.464 63.200 0.001 0.000 1.067 1160 S HN -0.032 8.279 8.310 0.001 0.000 0.479 1161 S N 2.381 118.082 115.700 0.002 0.000 2.671 1161 S HA 0.154 4.626 4.470 0.002 0.000 0.277 1161 S C -1.487 173.115 174.600 0.003 0.000 1.165 1161 S CA -0.499 57.702 58.200 0.002 0.000 0.822 1161 S CB 1.299 64.501 63.200 0.002 0.000 1.150 1161 S HN 0.037 8.348 8.310 0.002 0.000 0.479 1162 S N -0.365 115.338 115.700 0.004 0.000 3.662 1162 S HA -0.156 4.318 4.470 0.006 0.000 0.787 1162 S C -1.347 173.257 174.600 0.006 0.000 1.315 1162 S CA 1.020 59.223 58.200 0.005 0.000 1.186 1162 S CB 0.084 63.288 63.200 0.006 0.000 0.500 1162 S HN 0.088 8.400 8.310 0.004 0.000 0.528 1163 M N 0.696 120.300 119.600 0.008 0.000 2.622 1163 M HA 0.281 4.766 4.480 0.007 0.000 0.276 1163 M C -1.035 175.272 176.300 0.012 0.000 1.265 1163 M CA -0.621 54.684 55.300 0.008 0.000 0.850 1163 M CB 1.524 34.128 32.600 0.007 0.000 1.720 1163 M HN -0.036 8.260 8.290 0.009 0.000 0.465 1164 I N 5.470 126.047 120.570 0.012 0.000 3.309 1164 I HA 0.010 4.191 4.170 0.019 0.000 0.287 1164 I C -1.682 174.445 176.117 0.016 0.000 1.221 1164 I CA -0.777 60.532 61.300 0.016 0.000 1.575 1164 I CB -1.200 36.809 38.000 0.014 0.000 1.254 1164 I HN 0.308 8.524 8.210 0.009 0.000 0.600 1165 I N -0.933 119.647 120.570 0.017 0.000 2.720 1165 I HA 0.076 4.254 4.170 0.014 0.000 0.287 1165 I C 0.843 176.973 176.117 0.021 0.000 1.090 1165 I CA -0.254 61.056 61.300 0.016 0.000 1.384 1165 I CB 0.326 38.334 38.000 0.014 0.000 1.420 1165 I HN -0.383 7.743 8.210 0.016 0.093 0.575 1166 D N 1.271 121.682 120.400 0.019 0.000 2.808 1166 D HA -0.453 4.197 4.640 0.016 0.000 0.195 1166 D C 0.491 176.806 176.300 0.025 0.000 1.057 1166 D CA 2.210 56.224 54.000 0.022 0.000 1.026 1166 D CB -0.116 40.700 40.800 0.027 0.000 1.115 1166 D HN 0.658 9.036 8.370 0.015 0.000 0.421 1167 A N -0.958 121.879 122.820 0.028 0.000 1.940 1167 A HA -0.309 4.041 4.320 0.049 0.000 0.219 1167 A C 1.071 178.663 177.584 0.015 0.000 1.176 1167 A CA 2.510 54.566 52.037 0.032 0.000 0.631 1167 A CB -0.325 18.696 19.000 0.034 0.000 0.814 1167 A HN -0.543 7.484 8.150 0.027 0.139 0.446 1168 Q N -5.147 114.657 119.800 0.006 0.000 2.398 1168 Q HA -0.045 4.289 4.340 -0.010 0.000 0.204 1168 Q C 0.643 176.636 176.000 -0.012 0.000 0.932 1168 Q CA 1.526 57.325 55.803 -0.006 0.000 0.916 1168 Q CB -0.477 28.258 28.738 -0.005 0.000 1.024 1168 Q HN 0.134 8.409 8.270 0.009 0.000 0.504 1169 I N 0.129 120.695 120.570 -0.006 0.000 2.493 1169 I HA -0.287 3.876 4.170 -0.012 0.000 0.254 1169 I C 1.161 177.268 176.117 -0.016 0.000 1.160 1169 I CA 1.501 62.796 61.300 -0.009 0.000 1.445 1169 I CB -1.226 36.773 38.000 -0.001 0.000 1.086 1169 I HN -0.540 7.619 8.210 0.002 0.052 0.433 1170 S N -1.719 113.968 115.700 -0.021 0.000 2.436 1170 S HA -0.180 4.272 4.470 -0.030 0.000 0.228 1170 S C 0.953 175.524 174.600 -0.049 0.000 1.014 1170 S CA 2.137 60.315 58.200 -0.037 0.000 0.950 1170 S CB 0.178 63.348 63.200 -0.050 0.000 0.784 1170 S HN 0.016 8.285 8.310 -0.016 0.031 0.504 1171 N N 2.135 120.807 118.700 -0.046 0.000 2.439 1171 N HA 0.036 4.742 4.740 -0.057 0.000 0.176 1171 N C 1.406 176.892 175.510 -0.040 0.000 1.029 1171 N CA 2.326 55.346 53.050 -0.049 0.000 0.886 1171 N CB 1.030 39.488 38.487 -0.048 0.000 1.057 1171 N HN -0.551 7.660 8.380 -0.038 0.147 0.437 1172 A N 0.519 123.319 122.820 -0.035 0.000 2.076 1172 A HA -0.192 4.107 4.320 -0.035 0.000 0.220 1172 A C 1.498 179.056 177.584 -0.042 0.000 1.160 1172 A CA 2.829 54.845 52.037 -0.035 0.000 0.653 1172 A CB -0.419 18.563 19.000 -0.030 0.000 0.801 1172 A HN 0.268 8.399 8.150 -0.030 0.000 0.455 1173 L N -6.111 115.088 121.223 -0.040 0.000 2.549 1173 L HA -0.218 4.095 4.340 -0.045 0.000 0.230 1173 L C 0.946 177.790 176.870 -0.043 0.000 1.162 1173 L CA 1.770 56.586 54.840 -0.041 0.000 0.834 1173 L CB -1.225 40.813 42.059 -0.035 0.000 0.947 1173 L HN -0.260 7.919 8.230 -0.037 0.028 0.452 1174 N N -1.885 116.789 118.700 -0.043 0.000 2.463 1174 N HA -0.055 4.663 4.740 -0.036 0.000 0.181 1174 N C -0.578 174.906 175.510 -0.043 0.000 1.078 1174 N CA 1.368 54.395 53.050 -0.040 0.000 0.902 1174 N CB 0.893 39.358 38.487 -0.037 0.000 0.970 1174 N HN -0.078 8.204 8.380 -0.042 0.073 0.451 1175 A N -0.346 122.440 122.820 -0.057 0.000 2.475 1175 A HA 0.274 4.555 4.320 -0.065 0.000 0.301 1175 A C -1.755 175.748 177.584 -0.133 0.000 1.059 1175 A CA -0.710 51.281 52.037 -0.076 0.000 0.710 1175 A CB 2.456 21.421 19.000 -0.058 0.000 1.288 1175 A HN -0.664 7.416 8.150 -0.058 0.036 0.408 1176 Q N 0.947 120.622 119.800 -0.209 0.000 2.432 1176 Q HA -0.205 3.960 4.340 -0.292 0.000 0.264 1176 Q C -0.555 175.153 176.000 -0.487 0.000 1.035 1176 Q CA 0.171 55.736 55.803 -0.397 0.000 0.908 1176 Q CB 0.639 28.990 28.738 -0.645 0.000 1.280 1176 Q HN 0.252 8.423 8.270 -0.163 0.000 0.455 1177 Q N 0.901 120.433 119.800 -0.447 0.000 2.293 1177 Q HA 0.395 4.745 4.340 -0.243 -0.156 0.261 1177 Q C -0.711 175.079 176.000 -0.350 0.000 0.960 1177 Q CA -1.175 54.439 55.803 -0.315 0.000 0.882 1177 Q CB 1.906 30.556 28.738 -0.146 0.000 1.275 1177 Q HN 0.025 8.075 8.270 -0.366 0.000 0.445 1178 Y N 4.879 125.176 120.300 -0.005 0.000 2.485 1178 Y HA 0.185 4.729 4.550 -0.009 0.000 0.345 1178 Y C -1.494 174.404 175.900 -0.004 0.000 0.998 1178 Y CA -1.782 56.315 58.100 -0.007 0.000 1.059 1178 Y CB 3.252 41.707 38.460 -0.008 0.000 1.234 1178 Y HN 0.893 9.192 8.280 0.031 0.000 0.461 1179 K N 3.767 124.267 120.400 0.167 0.000 2.263 1179 K HA 0.511 5.046 4.320 0.073 -0.171 0.272 1179 K C -1.744 174.886 176.600 0.050 0.000 1.033 1179 K CA -0.947 55.388 56.287 0.080 0.000 0.884 1179 K CB 1.218 33.744 32.500 0.043 0.000 1.107 1179 K HN 0.457 8.821 8.250 0.189 0.000 0.460 1180 V N 6.668 126.601 119.914 0.032 0.000 2.656 1180 V HA 0.659 4.933 4.120 -0.014 -0.162 0.307 1180 V C -2.143 173.945 176.094 -0.010 0.000 1.051 1180 V CA -1.250 61.053 62.300 0.005 0.000 0.893 1180 V CB 3.103 34.934 31.823 0.014 0.000 0.999 1180 V HN 0.750 8.964 8.190 0.040 0.000 0.426 1181 L N 5.988 127.200 121.223 -0.017 0.000 2.410 1181 L HA 0.775 5.273 4.340 0.010 -0.153 0.270 1181 L C -2.423 174.466 176.870 0.031 0.000 0.983 1181 L CA -1.316 53.522 54.840 -0.004 0.000 0.822 1181 L CB 4.067 46.086 42.059 -0.066 0.000 1.285 1181 L HN 0.843 9.059 8.230 -0.024 0.000 0.409 1182 I N 3.160 123.781 120.570 0.085 0.000 2.468 1182 I HA 0.914 5.323 4.170 0.073 -0.195 0.285 1182 I C -1.268 174.950 176.117 0.167 0.000 1.039 1182 I CA -1.311 60.044 61.300 0.092 0.000 1.074 1182 I CB 2.735 40.770 38.000 0.058 0.000 1.228 1182 I HN 0.524 8.802 8.210 0.113 0.000 0.436 1183 G N 4.997 113.905 108.800 0.180 0.000 2.550 1183 G HA2 0.302 4.353 3.960 0.128 0.000 0.293 1183 G HA3 0.302 4.614 3.960 0.469 -0.071 0.293 1183 G C -2.721 172.272 174.900 0.155 0.000 1.402 1183 G CA -0.126 45.112 45.100 0.229 0.000 0.784 1183 G HN 0.232 8.600 8.290 0.129 0.000 0.482 1184 N N -0.136 118.644 118.700 0.134 0.000 2.399 1184 N HA 0.064 4.830 4.740 0.043 0.000 0.250 1184 N C 1.970 177.542 175.510 0.104 0.000 1.272 1184 N CA -0.192 52.907 53.050 0.082 0.000 0.928 1184 N CB 2.902 41.416 38.487 0.044 0.000 1.158 1184 N HN -0.293 8.165 8.380 0.130 0.000 0.463 1185 R N 2.343 122.875 120.500 0.054 0.000 2.133 1185 R HA -0.414 3.948 4.340 0.037 0.000 0.247 1185 R C 1.975 178.312 176.300 0.062 0.000 1.151 1185 R CA 3.522 59.648 56.100 0.043 0.000 0.971 1185 R CB -0.655 29.656 30.300 0.020 0.000 0.866 1185 R HN 0.511 8.797 8.270 0.027 0.000 0.447 1186 E N -1.524 118.724 120.200 0.080 0.000 2.204 1186 E HA -0.247 4.142 4.350 0.066 0.000 0.194 1186 E C 2.216 178.921 176.600 0.174 0.000 0.989 1186 E CA 2.271 58.729 56.400 0.096 0.000 0.824 1186 E CB -0.574 29.173 29.700 0.079 0.000 0.756 1186 E HN -0.364 8.322 8.360 0.072 -0.283 0.477 1187 W N 1.146 122.434 121.300 -0.020 0.000 2.630 1187 W HA -0.080 4.569 4.660 -0.019 0.000 0.271 1187 W C 0.959 177.466 176.519 -0.021 0.000 1.244 1187 W CA 2.906 60.239 57.345 -0.021 0.000 1.353 1187 W CB 0.443 29.888 29.460 -0.025 0.000 1.080 1187 W HN 0.164 8.403 8.180 0.290 0.115 0.594 1188 M N 1.282 120.903 119.600 0.036 0.000 2.086 1188 M HA -0.467 3.909 4.480 -0.173 0.000 0.261 1188 M C 2.046 178.287 176.300 -0.098 0.000 1.067 1188 M CA 3.527 58.781 55.300 -0.078 0.000 1.116 1188 M CB -0.297 32.294 32.600 -0.016 0.000 1.348 1188 M HN -0.136 8.236 8.290 0.137 0.000 0.407 1189 I N -5.033 115.510 120.570 -0.044 0.000 2.394 1189 I HA -0.088 4.271 4.170 -0.050 -0.219 0.251 1189 I C 2.275 178.353 176.117 -0.066 0.000 1.136 1189 I CA 2.536 63.810 61.300 -0.043 0.000 1.425 1189 I CB -0.390 37.603 38.000 -0.012 0.000 1.079 1189 I HN -0.472 7.736 8.210 -0.004 0.000 0.425 1190 R N 0.953 121.405 120.500 -0.079 0.000 2.115 1190 R HA -0.258 4.046 4.340 -0.061 0.000 0.226 1190 R C 1.617 177.794 176.300 -0.206 0.000 1.100 1190 R CA 1.954 57.992 56.100 -0.103 0.000 0.980 1190 R CB -0.505 29.776 30.300 -0.031 0.000 0.875 1190 R HN -0.296 7.833 8.270 -0.058 0.107 0.445 1191 N N -3.085 115.416 118.700 -0.332 0.000 2.348 1191 N HA -0.152 4.353 4.740 -0.392 0.000 0.185 1191 N C 0.408 175.799 175.510 -0.198 0.000 1.019 1191 N CA 1.098 53.938 53.050 -0.350 0.000 0.880 1191 N CB 0.772 39.000 38.487 -0.432 0.000 0.965 1191 N HN -0.121 8.005 8.380 -0.422 0.000 0.437 1192 G N -3.332 105.383 108.800 -0.141 0.000 2.148 1192 G HA2 -0.400 3.516 3.960 -0.074 0.000 0.203 1192 G HA3 -0.400 3.507 3.960 -0.089 0.000 0.203 1192 G C -0.623 174.230 174.900 -0.079 0.000 0.993 1192 G CA -0.213 44.831 45.100 -0.093 0.000 0.661 1192 G HN -0.611 7.425 8.290 -0.139 0.170 0.518 1193 L N -1.468 119.702 121.223 -0.087 0.000 2.448 1193 L HA 0.184 4.491 4.340 -0.056 0.000 0.258 1193 L C -0.862 175.981 176.870 -0.045 0.000 1.104 1193 L CA -0.726 54.075 54.840 -0.065 0.000 0.800 1193 L CB 1.201 43.216 42.059 -0.073 0.000 1.241 1193 L HN -0.704 7.460 8.230 -0.110 0.000 0.472 1194 V N -1.350 118.545 119.914 -0.031 0.000 2.709 1194 V HA 0.295 4.404 4.120 -0.019 0.000 0.308 1194 V C -1.305 174.782 176.094 -0.012 0.000 1.062 1194 V CA -1.202 61.086 62.300 -0.019 0.000 0.901 1194 V CB 3.329 35.142 31.823 -0.016 0.000 1.003 1194 V HN -0.009 8.163 8.190 -0.031 0.000 0.425 1195 I N 4.756 125.323 120.570 -0.005 0.000 2.664 1195 I HA 0.108 4.280 4.170 0.004 0.000 0.308 1195 I C -1.413 174.708 176.117 0.008 0.000 0.984 1195 I CA -0.683 60.619 61.300 0.004 0.000 1.213 1195 I CB 1.388 39.393 38.000 0.009 0.000 1.379 1195 I HN -0.013 8.195 8.210 -0.005 0.000 0.501 1196 N N 3.525 122.233 118.700 0.014 0.000 2.487 1196 N HA 0.112 4.859 4.740 0.011 0.000 0.292 1196 N C -0.110 175.414 175.510 0.024 0.000 1.108 1196 N CA -0.709 52.351 53.050 0.016 0.000 0.956 1196 N CB 1.585 40.080 38.487 0.014 0.000 1.176 1196 N HN 0.069 8.459 8.380 0.017 0.000 0.484 1197 N N 0.912 119.625 118.700 0.022 0.000 2.331 1197 N HA -0.321 4.435 4.740 0.027 0.000 0.180 1197 N C 1.133 176.665 175.510 0.038 0.000 1.019 1197 N CA 2.637 55.702 53.050 0.026 0.000 0.881 1197 N CB 0.146 38.645 38.487 0.020 0.000 0.972 1197 N HN 0.534 8.924 8.380 0.016 0.000 0.435 1198 D N -0.530 119.892 120.400 0.036 0.000 2.097 1198 D HA -0.203 4.462 4.640 0.041 0.000 0.195 1198 D C 2.448 178.795 176.300 0.078 0.000 0.989 1198 D CA 2.865 56.891 54.000 0.043 0.000 0.827 1198 D CB -0.257 40.556 40.800 0.022 0.000 0.966 1198 D HN 0.075 8.430 8.370 0.027 0.032 0.456 1199 V N 0.412 120.376 119.914 0.084 0.000 2.548 1199 V HA -0.268 3.983 4.120 0.218 0.000 0.249 1199 V C 1.004 177.177 176.094 0.133 0.000 1.055 1199 V CA 2.278 64.663 62.300 0.141 0.000 1.065 1199 V CB 0.086 31.973 31.823 0.108 0.000 0.681 1199 V HN -0.422 7.802 8.190 0.056 0.000 0.462 1200 N N -0.338 118.408 118.700 0.077 0.000 2.166 1200 N HA -0.409 4.352 4.740 0.035 0.000 0.186 1200 N C 1.619 177.161 175.510 0.052 0.000 1.019 1200 N CA 3.692 56.771 53.050 0.049 0.000 0.856 1200 N CB -0.073 38.434 38.487 0.033 0.000 0.993 1200 N HN -0.196 8.144 8.380 0.063 0.078 0.426 1201 D N -0.016 120.430 120.400 0.077 0.000 2.097 1201 D HA -0.292 4.380 4.640 0.053 0.000 0.197 1201 D C 1.494 177.867 176.300 0.120 0.000 0.984 1201 D CA 3.777 57.827 54.000 0.083 0.000 0.826 1201 D CB -0.060 40.791 40.800 0.084 0.000 0.973 1201 D HN -0.488 7.930 8.370 0.079 0.000 0.460 1202 F N 0.281 120.242 119.950 0.019 0.000 2.134 1202 F HA -0.320 4.230 4.527 0.037 0.000 0.299 1202 F C 1.224 177.050 175.800 0.044 0.000 1.097 1202 F CA 2.723 60.740 58.000 0.028 0.000 1.264 1202 F CB 0.103 39.111 39.000 0.013 0.000 1.001 1202 F HN -0.954 7.513 8.300 0.279 0.000 0.479 1203 M N 0.220 119.688 119.600 -0.219 0.000 2.132 1203 M HA -0.461 3.717 4.480 -0.503 0.000 0.263 1203 M C 1.747 177.967 176.300 -0.134 0.000 1.065 1203 M CA 4.397 59.534 55.300 -0.273 0.000 1.122 1203 M CB 0.169 32.691 32.600 -0.131 0.000 1.365 1203 M HN 0.198 8.493 8.290 0.009 0.000 0.411 1204 T N 2.386 116.905 114.554 -0.058 0.000 2.684 1204 T HA -0.433 3.902 4.350 -0.024 0.000 0.267 1204 T C 2.063 176.746 174.700 -0.028 0.000 1.036 1204 T CA 5.252 67.336 62.100 -0.026 0.000 1.148 1204 T CB -0.728 68.139 68.868 -0.002 0.000 0.863 1204 T HN 0.071 8.292 8.240 -0.032 0.000 0.436 1205 E N 0.884 121.070 120.200 -0.025 0.000 2.110 1205 E HA -0.400 3.945 4.350 -0.008 0.000 0.193 1205 E C 2.081 178.653 176.600 -0.046 0.000 0.988 1205 E CA 3.059 59.450 56.400 -0.015 0.000 0.804 1205 E CB -0.021 29.701 29.700 0.037 0.000 0.745 1205 E HN 0.009 8.361 8.360 -0.014 0.000 0.458 1206 H N -0.219 118.713 119.070 -0.230 0.000 2.357 1206 H HA -0.180 4.263 4.556 -0.187 0.000 0.301 1206 H C 2.405 177.641 175.328 -0.153 0.000 1.082 1206 H CA 3.899 59.799 56.048 -0.247 0.000 1.342 1206 H CB 0.477 29.965 29.762 -0.456 0.000 1.389 1206 H HN -0.477 7.626 8.280 -0.120 0.105 0.511 1207 E N -0.592 119.623 120.200 0.023 0.000 2.150 1207 E HA -0.191 4.319 4.350 0.008 -0.155 0.193 1207 E C 3.075 179.648 176.600 -0.046 0.000 0.985 1207 E CA 2.341 58.739 56.400 -0.005 0.000 0.814 1207 E CB -0.181 29.520 29.700 0.001 0.000 0.752 1207 E HN -0.130 8.240 8.360 0.017 0.000 0.466 1208 R N 0.912 121.384 120.500 -0.047 0.000 2.096 1208 R HA -0.213 4.105 4.340 -0.037 0.000 0.235 1208 R C 1.646 177.906 176.300 -0.067 0.000 1.127 1208 R CA 2.619 58.691 56.100 -0.046 0.000 0.968 1208 R CB 0.001 30.283 30.300 -0.030 0.000 0.861 1208 R HN 0.006 8.253 8.270 -0.039 0.000 0.440 1209 K N -3.192 117.144 120.400 -0.107 0.000 2.589 1209 K HA -0.056 4.205 4.320 -0.099 0.000 0.192 1209 K C -0.373 176.130 176.600 -0.161 0.000 1.029 1209 K CA -0.179 56.023 56.287 -0.143 0.000 1.031 1209 K CB -0.261 32.122 32.500 -0.195 0.000 0.821 1209 K HN -0.447 7.609 8.250 -0.115 0.125 0.502 1210 G N -1.715 107.008 108.800 -0.129 0.000 2.160 1210 G HA2 -0.464 3.453 3.960 -0.073 0.000 0.251 1210 G HA3 -0.464 3.446 3.960 -0.084 0.000 0.251 1210 G C -0.607 174.224 174.900 -0.115 0.000 1.008 1210 G CA 0.490 45.530 45.100 -0.099 0.000 0.724 1210 G HN -0.310 7.706 8.290 -0.105 0.210 0.514 1211 R N -1.698 118.693 120.500 -0.182 0.000 2.711 1211 R HA 0.512 4.976 4.340 -0.075 -0.169 0.284 1211 R C -0.233 176.116 176.300 0.082 0.000 0.968 1211 R CA -2.256 53.752 56.100 -0.153 0.000 0.924 1211 R CB 3.010 33.054 30.300 -0.427 0.000 1.162 1211 R HN -0.681 7.415 8.270 -0.238 0.031 0.465 1212 T N 3.399 118.037 114.554 0.140 0.000 2.851 1212 T HA 0.053 4.440 4.350 0.061 0.000 0.298 1212 T C -1.534 173.211 174.700 0.075 0.000 0.977 1212 T CA 1.042 63.199 62.100 0.095 0.000 1.126 1212 T CB 0.799 69.684 68.868 0.029 0.000 0.916 1212 T HN -0.083 8.312 8.240 0.105 -0.091 0.529 1213 A N 5.922 128.733 122.820 -0.015 0.000 2.381 1213 A HA 0.810 5.136 4.320 -0.249 -0.156 0.299 1213 A C -1.924 175.610 177.584 -0.083 0.000 1.049 1213 A CA -1.502 50.442 52.037 -0.155 0.000 0.715 1213 A CB 3.122 21.976 19.000 -0.243 0.000 1.222 1213 A HN 0.225 8.381 8.150 0.010 0.000 0.428 1214 V N -1.397 118.472 119.914 -0.075 0.000 3.049 1214 V HA 0.602 4.806 4.120 -0.001 -0.085 0.309 1214 V C -2.619 173.470 176.094 -0.009 0.000 1.148 1214 V CA -1.853 60.437 62.300 -0.017 0.000 0.990 1214 V CB 3.952 35.782 31.823 0.011 0.000 1.039 1214 V HN 0.522 8.648 8.190 -0.105 0.000 0.430 1215 L N 1.074 122.308 121.223 0.018 0.000 2.352 1215 L HA 0.528 4.998 4.340 0.014 -0.121 0.269 1215 L C -0.746 176.140 176.870 0.027 0.000 1.034 1215 L CA -0.855 53.997 54.840 0.020 0.000 0.806 1215 L CB 2.062 44.132 42.059 0.019 0.000 1.244 1215 L HN 0.742 8.892 8.230 0.037 0.102 0.447 1216 V N -0.829 119.095 119.914 0.016 0.000 2.555 1216 V HA 0.653 4.940 4.120 0.016 -0.158 0.302 1216 V C -1.504 174.584 176.094 -0.010 0.000 1.038 1216 V CA -1.982 60.323 62.300 0.008 0.000 0.887 1216 V CB 1.991 33.819 31.823 0.008 0.000 0.991 1216 V HN 0.589 8.684 8.190 0.013 0.102 0.434 1217 A N 6.131 128.937 122.820 -0.023 0.000 2.498 1217 A HA 0.939 5.343 4.320 -0.040 -0.107 0.298 1217 A C -2.498 175.056 177.584 -0.049 0.000 1.075 1217 A CA -1.718 50.295 52.037 -0.041 0.000 0.714 1217 A CB 4.384 23.352 19.000 -0.053 0.000 1.299 1217 A HN 0.981 9.122 8.150 -0.016 0.000 0.407 1218 V N 0.749 120.629 119.914 -0.056 0.000 2.482 1218 V HA 0.517 4.782 4.120 -0.043 -0.172 0.295 1218 V C -0.341 175.735 176.094 -0.031 0.000 1.026 1218 V CA -1.425 60.841 62.300 -0.056 0.000 0.856 1218 V CB 3.286 35.039 31.823 -0.117 0.000 1.001 1218 V HN 0.637 8.795 8.190 -0.054 0.000 0.424 1219 D N 9.535 129.929 120.400 -0.011 0.000 2.740 1219 D HA -0.439 4.196 4.640 -0.007 0.000 0.231 1219 D C -1.190 175.099 176.300 -0.018 0.000 1.194 1219 D CA 1.523 55.523 54.000 -0.000 0.000 0.673 1219 D CB -0.458 40.366 40.800 0.041 0.000 0.995 1219 D HN 0.764 9.131 8.370 -0.005 0.000 0.411 1220 D N -5.277 115.099 120.400 -0.040 0.000 3.012 1220 D HA -0.296 4.304 4.640 -0.067 0.000 0.222 1220 D C -1.412 174.864 176.300 -0.040 0.000 1.167 1220 D CA 1.671 55.642 54.000 -0.048 0.000 0.854 1220 D CB 0.118 40.890 40.800 -0.046 0.000 1.107 1220 D HN 0.279 8.619 8.370 -0.051 0.000 0.421 1221 E N -2.135 118.043 120.200 -0.037 0.000 2.222 1221 E HA 0.307 4.640 4.350 -0.029 0.000 0.267 1221 E C -0.734 175.845 176.600 -0.036 0.000 0.884 1221 E CA -1.817 54.563 56.400 -0.032 0.000 0.764 1221 E CB 2.616 32.301 29.700 -0.026 0.000 1.169 1221 E HN -0.322 7.846 8.360 -0.037 0.170 0.413 1222 L N 1.635 122.841 121.223 -0.029 0.000 2.543 1222 L HA -0.250 4.075 4.340 -0.026 0.000 0.285 1222 L C 0.318 177.174 176.870 -0.022 0.000 1.236 1222 L CA 1.832 56.658 54.840 -0.023 0.000 0.871 1222 L CB -0.297 41.753 42.059 -0.014 0.000 1.121 1222 L HN 0.639 8.854 8.230 -0.026 0.000 0.501 1223 C N -4.055 115.234 119.300 -0.020 0.000 4.160 1223 C HA 0.235 4.686 4.460 -0.014 0.000 0.545 1223 C C -1.089 173.900 174.990 -0.001 0.000 1.470 1223 C CA -1.425 57.582 59.018 -0.019 0.000 2.412 1223 C CB 3.252 30.966 27.740 -0.044 0.000 3.601 1223 C HN 0.716 8.936 8.230 -0.017 0.000 0.589 1224 G N -0.930 107.873 108.800 0.005 0.000 2.550 1224 G HA2 0.638 4.773 3.960 0.024 0.000 0.293 1224 G HA3 0.638 4.612 3.960 0.023 0.000 0.293 1224 G C -3.432 171.482 174.900 0.023 0.000 1.402 1224 G CA 0.526 45.638 45.100 0.019 0.000 0.784 1224 G HN -0.626 7.665 8.290 0.001 0.000 0.482 1225 L N -5.001 116.241 121.223 0.032 0.000 2.393 1225 L HA 0.917 5.391 4.340 0.017 -0.124 0.260 1225 L C -2.275 174.608 176.870 0.021 0.000 1.002 1225 L CA -1.138 53.719 54.840 0.029 0.000 0.818 1225 L CB 4.144 46.234 42.059 0.052 0.000 1.369 1225 L HN 0.728 8.980 8.230 0.037 0.000 0.412 1226 I N -1.017 119.546 120.570 -0.012 0.000 2.478 1226 I HA 0.525 4.807 4.170 -0.026 -0.127 0.287 1226 I C -1.898 174.153 176.117 -0.110 0.000 1.042 1226 I CA -1.228 60.050 61.300 -0.036 0.000 1.067 1226 I CB 3.578 41.568 38.000 -0.017 0.000 1.233 1226 I HN 0.847 9.044 8.210 -0.022 0.000 0.431 1227 A N 7.376 130.117 122.820 -0.132 0.000 2.287 1227 A HA 0.725 4.745 4.320 -0.499 0.000 0.317 1227 A C -1.942 175.602 177.584 -0.066 0.000 1.220 1227 A CA -1.903 49.965 52.037 -0.283 0.000 0.835 1227 A CB 2.417 21.229 19.000 -0.315 0.000 1.180 1227 A HN 1.046 9.155 8.150 -0.069 0.000 0.500 1228 I N 3.356 123.939 120.570 0.021 0.000 2.436 1228 I HA 0.420 4.724 4.170 0.033 -0.114 0.289 1228 I C -2.047 174.152 176.117 0.136 0.000 1.010 1228 I CA -1.488 59.852 61.300 0.067 0.000 1.098 1228 I CB 3.312 41.329 38.000 0.028 0.000 1.266 1228 I HN 0.627 8.835 8.210 -0.003 0.000 0.434 1229 A N 6.924 129.792 122.820 0.080 0.000 2.343 1229 A HA 0.188 4.521 4.320 0.021 0.000 0.305 1229 A C -1.262 176.329 177.584 0.011 0.000 1.308 1229 A CA -1.309 50.751 52.037 0.038 0.000 0.949 1229 A CB 0.753 19.769 19.000 0.026 0.000 1.148 1229 A HN 0.753 8.935 8.150 0.053 0.000 0.545 1230 D N 6.304 126.699 120.400 -0.009 0.000 2.371 1230 D HA -0.011 4.624 4.640 -0.008 0.000 0.256 1230 D C -0.852 175.437 176.300 -0.019 0.000 1.193 1230 D CA 1.640 55.630 54.000 -0.017 0.000 0.881 1230 D CB 1.067 41.848 40.800 -0.031 0.000 1.143 1230 D HN 0.042 8.399 8.370 -0.021 0.000 0.473 1231 T N 0.000 114.551 114.554 -0.005 0.000 3.816 1231 T HA 0.000 4.346 4.350 -0.007 0.000 0.228 1231 T CA 0.000 62.100 62.100 0.000 0.000 1.349 1231 T CB 0.000 68.869 68.868 0.002 0.000 0.612 1231 T HN 0.000 8.241 8.240 0.001 0.000 0.658