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 1h6p_1_B DATA FIRST_RESID 1045 DATA SEQUENCE EARLEEAVNR WVLKFYFHEA LRAFRGSRYG DFRQIRDIMQ ALLVRPLGKE DATA SEQUENCE HTVSRLLRVM QCLSRIEEGE NXXXSFDMEA ELTPLESAIN VLEMIKTEFT DATA SEQUENCE LTEAVVESSR KLVKEAAVII CIKNKEFEKA SKILKKHMXX XXXXXXXRND DATA SEQUENCE LLNIIREKNL AHPVIQNFSY ETFQQKMLRF LESHLDDAEP YLLTMAKKAL 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 1045 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1045 E C 0.000 176.575 176.600 -0.042 0.000 1.382 1045 E CA 0.000 56.381 56.400 -0.031 0.000 0.976 1045 E CB 0.000 29.682 29.700 -0.029 0.000 0.812 1046 A N 0.282 123.077 122.820 -0.041 0.000 1.858 1046 A HA -0.084 4.238 4.320 0.003 0.000 0.216 1046 A C 2.618 180.161 177.584 -0.069 0.000 1.190 1046 A CA 3.615 55.623 52.037 -0.048 0.000 0.617 1046 A CB -1.626 17.350 19.000 -0.040 0.000 0.827 1046 A HN 0.692 8.842 8.150 -0.000 0.000 0.443 1047 R N -0.174 120.284 120.500 -0.070 0.000 2.105 1047 R HA -0.030 4.312 4.340 0.003 0.000 0.239 1047 R C 2.159 178.380 176.300 -0.131 0.000 1.135 1047 R CA 1.804 57.848 56.100 -0.093 0.000 0.967 1047 R CB -1.630 28.624 30.300 -0.077 0.000 0.861 1047 R HN 0.604 8.874 8.270 -0.000 0.000 0.442 1048 L N -0.165 120.991 121.223 -0.113 0.000 1.994 1048 L HA -0.175 4.166 4.340 0.003 0.000 0.208 1048 L C 2.962 179.735 176.870 -0.162 0.000 1.071 1048 L CA 1.963 56.720 54.840 -0.137 0.000 0.745 1048 L CB -0.491 41.519 42.059 -0.082 0.000 0.892 1048 L HN 0.557 8.787 8.230 -0.000 0.000 0.431 1049 E N 0.437 120.570 120.200 -0.111 0.000 2.085 1049 E HA -0.267 4.085 4.350 0.003 0.000 0.194 1049 E C 1.992 178.511 176.600 -0.135 0.000 0.994 1049 E CA 1.509 57.851 56.400 -0.096 0.000 0.801 1049 E CB 0.074 29.739 29.700 -0.059 0.000 0.743 1049 E HN 0.504 8.864 8.360 -0.000 0.000 0.453 1050 E N -0.133 119.978 120.200 -0.149 0.000 2.110 1050 E HA -0.186 4.165 4.350 0.003 0.000 0.193 1050 E C 1.954 178.386 176.600 -0.280 0.000 0.988 1050 E CA 0.937 57.231 56.400 -0.176 0.000 0.804 1050 E CB -0.093 29.514 29.700 -0.154 0.000 0.745 1050 E HN 0.314 8.674 8.360 -0.000 0.000 0.458 1051 A N 0.627 123.224 122.820 -0.370 0.000 1.873 1051 A HA -0.145 4.177 4.320 0.003 0.000 0.215 1051 A C 2.463 179.535 177.584 -0.855 0.000 1.186 1051 A CA 1.209 52.864 52.037 -0.637 0.000 0.616 1051 A CB -0.610 17.975 19.000 -0.692 0.000 0.823 1051 A HN 0.126 8.276 8.150 -0.000 0.000 0.442 1052 V N 0.851 120.417 119.914 -0.580 0.000 2.358 1052 V HA -0.302 3.819 4.120 0.003 0.000 0.246 1052 V C 2.148 178.217 176.094 -0.043 0.000 1.047 1052 V CA 2.218 64.362 62.300 -0.260 0.000 1.035 1052 V CB -1.289 30.507 31.823 -0.046 0.000 0.658 1052 V HN 0.639 8.829 8.190 -0.000 0.000 0.452 1053 N N -0.133 118.517 118.700 -0.083 0.000 2.094 1053 N HA -0.213 4.528 4.740 0.003 0.000 0.191 1053 N C 2.069 177.590 175.510 0.018 0.000 1.023 1053 N CA 1.384 54.430 53.050 -0.007 0.000 0.857 1053 N CB -0.199 38.260 38.487 -0.046 0.000 1.013 1053 N HN 0.437 8.817 8.380 -0.000 0.000 0.426 1054 R N -0.011 120.434 120.500 -0.091 0.000 2.081 1054 R HA -0.115 4.226 4.340 0.003 0.000 0.235 1054 R C 1.890 178.291 176.300 0.168 0.000 1.131 1054 R CA 1.218 57.283 56.100 -0.058 0.000 0.960 1054 R CB -0.192 29.947 30.300 -0.267 0.000 0.856 1054 R HN 0.376 8.646 8.270 -0.000 0.000 0.436 1055 W N 0.323 121.655 121.300 0.053 0.000 2.335 1055 W HA -0.133 4.528 4.660 0.003 0.000 0.311 1055 W C 2.140 178.751 176.519 0.153 0.000 1.213 1055 W CA 0.492 57.909 57.345 0.119 0.000 1.274 1055 W CB -1.136 28.407 29.460 0.138 0.000 1.148 1055 W HN -0.110 8.070 8.180 -0.000 0.000 0.498 1056 V N 0.383 120.534 119.914 0.395 0.000 2.287 1056 V HA -0.292 3.829 4.120 0.003 0.000 0.248 1056 V C 2.266 178.626 176.094 0.442 0.000 1.053 1056 V CA 1.779 64.300 62.300 0.368 0.000 1.027 1056 V CB -1.353 30.676 31.823 0.342 0.000 0.646 1056 V HN 0.047 8.237 8.190 -0.000 0.000 0.447 1057 L N 0.079 121.504 121.223 0.336 0.000 2.017 1057 L HA -0.183 4.158 4.340 0.003 0.000 0.208 1057 L C 2.416 179.482 176.870 0.328 0.000 1.073 1057 L CA 2.025 57.047 54.840 0.302 0.000 0.745 1057 L CB -0.662 41.496 42.059 0.164 0.000 0.894 1057 L HN 0.220 8.450 8.230 -0.000 0.000 0.432 1058 K N -1.627 118.955 120.400 0.302 0.000 2.097 1058 K HA -0.199 4.123 4.320 0.003 0.000 0.206 1058 K C 2.028 178.836 176.600 0.347 0.000 1.049 1058 K CA 1.663 58.147 56.287 0.329 0.000 0.933 1058 K CB -0.396 32.284 32.500 0.299 0.000 0.717 1058 K HN 0.289 8.539 8.250 -0.000 0.000 0.442 1059 F N 0.555 120.585 119.950 0.133 0.000 2.084 1059 F HA -0.214 4.315 4.527 0.002 0.000 0.296 1059 F C 1.751 177.539 175.800 -0.019 0.000 1.111 1059 F CA 1.430 59.406 58.000 -0.040 0.000 1.224 1059 F CB -0.472 38.373 39.000 -0.259 0.000 0.991 1059 F HN -0.021 8.279 8.300 -0.000 0.000 0.471 1060 Y N -1.208 119.174 120.300 0.135 0.000 2.274 1060 Y HA -0.237 4.314 4.550 0.003 0.000 0.290 1060 Y C 2.321 178.247 175.900 0.044 0.000 1.145 1060 Y CA 1.414 59.517 58.100 0.006 0.000 1.203 1060 Y CB -0.721 37.824 38.460 0.143 0.000 0.984 1060 Y HN 0.241 8.521 8.280 -0.000 0.000 0.533 1061 F N 0.269 120.298 119.950 0.131 0.000 2.102 1061 F HA -0.285 4.244 4.527 0.003 0.000 0.298 1061 F C 2.733 178.563 175.800 0.051 0.000 1.105 1061 F CA 2.012 60.073 58.000 0.101 0.000 1.239 1061 F CB -0.899 38.172 39.000 0.118 0.000 0.991 1061 F HN 0.168 8.468 8.300 -0.000 0.000 0.474 1062 H N 0.419 119.399 119.070 -0.150 0.000 2.319 1062 H HA -0.128 4.429 4.556 0.003 0.000 0.299 1062 H C 1.905 177.037 175.328 -0.328 0.000 1.092 1062 H CA 2.017 57.883 56.048 -0.304 0.000 1.302 1062 H CB -0.089 29.544 29.762 -0.214 0.000 1.373 1062 H HN 0.260 8.540 8.280 -0.000 0.000 0.497 1063 E N 0.478 120.541 120.200 -0.227 0.000 2.150 1063 E HA -0.060 4.291 4.350 0.003 0.000 0.193 1063 E C 2.310 178.856 176.600 -0.090 0.000 0.985 1063 E CA 0.812 57.092 56.400 -0.200 0.000 0.814 1063 E CB -0.337 29.180 29.700 -0.304 0.000 0.752 1063 E HN 0.566 8.926 8.360 -0.000 0.000 0.466 1064 A N 1.008 123.806 122.820 -0.036 0.000 1.929 1064 A HA -0.070 4.251 4.320 0.003 0.000 0.216 1064 A C 2.343 180.019 177.584 0.153 0.000 1.176 1064 A CA 0.723 52.833 52.037 0.122 0.000 0.628 1064 A CB -0.560 18.512 19.000 0.122 0.000 0.816 1064 A HN 0.168 8.318 8.150 -0.000 0.000 0.444 1065 L N -1.169 119.969 121.223 -0.142 0.000 2.083 1065 L HA -0.163 4.178 4.340 0.003 0.000 0.209 1065 L C 2.805 179.585 176.870 -0.150 0.000 1.083 1065 L CA 1.635 56.341 54.840 -0.223 0.000 0.752 1065 L CB -0.444 41.312 42.059 -0.505 0.000 0.899 1065 L HN 0.442 8.672 8.230 -0.000 0.000 0.433 1066 R N 0.127 120.498 120.500 -0.216 0.000 2.073 1066 R HA -0.162 4.180 4.340 0.003 0.000 0.234 1066 R C 2.375 178.626 176.300 -0.081 0.000 1.134 1066 R CA 1.434 57.431 56.100 -0.172 0.000 0.952 1066 R CB -0.213 29.972 30.300 -0.191 0.000 0.850 1066 R HN 0.336 8.606 8.270 -0.000 0.000 0.433 1067 A N 0.133 122.941 122.820 -0.020 0.000 1.902 1067 A HA -0.193 4.129 4.320 0.003 0.000 0.217 1067 A C 2.009 179.533 177.584 -0.101 0.000 1.181 1067 A CA 1.245 53.271 52.037 -0.018 0.000 0.623 1067 A CB -0.764 18.288 19.000 0.087 0.000 0.818 1067 A HN 0.484 8.634 8.150 -0.000 0.000 0.443 1068 F N 0.093 119.949 119.950 -0.157 0.000 2.102 1068 F HA -0.146 4.383 4.527 0.002 0.000 0.298 1068 F C 2.478 178.105 175.800 -0.289 0.000 1.105 1068 F CA 2.005 59.823 58.000 -0.303 0.000 1.239 1068 F CB -0.129 38.685 39.000 -0.310 0.000 0.991 1068 F HN 0.158 8.458 8.300 -0.000 0.000 0.474 1069 R N -0.043 120.484 120.500 0.045 0.000 2.091 1069 R HA -0.128 4.213 4.340 0.003 0.000 0.238 1069 R C 1.973 178.200 176.300 -0.121 0.000 1.136 1069 R CA 1.414 57.499 56.100 -0.024 0.000 0.959 1069 R CB -0.929 29.336 30.300 -0.059 0.000 0.856 1069 R HN 0.395 8.665 8.270 -0.000 0.000 0.437 1070 G N -1.202 107.499 108.800 -0.165 0.000 3.181 1070 G HA2 0.004 3.966 3.960 0.003 0.000 0.219 1070 G HA3 0.004 3.966 3.960 0.003 0.000 0.219 1070 G C 0.063 174.790 174.900 -0.288 0.000 1.182 1070 G CA 0.341 45.334 45.100 -0.178 0.000 0.791 1070 G HN 0.270 8.560 8.290 -0.000 0.000 0.537 1071 S N -1.028 114.376 115.700 -0.494 0.000 3.587 1071 S HA -0.181 4.290 4.470 0.003 0.000 0.337 1071 S C 0.929 174.985 174.600 -0.907 0.000 1.119 1071 S CA 0.622 58.298 58.200 -0.873 0.000 0.976 1071 S CB -0.970 62.020 63.200 -0.351 0.000 0.922 1071 S HN 0.696 9.006 8.310 -0.000 0.000 0.503 1072 R N 0.275 120.360 120.500 -0.691 0.000 3.785 1072 R HA 0.257 4.598 4.340 0.003 0.000 0.255 1072 R C 0.581 176.688 176.300 -0.322 0.000 1.485 1072 R CA -0.269 55.609 56.100 -0.370 0.000 1.555 1072 R CB -0.126 30.070 30.300 -0.173 0.000 1.362 1072 R HN 0.504 8.774 8.270 -0.000 0.000 0.702 1073 Y N -0.285 119.977 120.300 -0.063 0.000 2.256 1073 Y HA -0.187 4.365 4.550 0.003 0.000 0.288 1073 Y C 2.449 178.430 175.900 0.135 0.000 1.155 1073 Y CA 1.163 59.267 58.100 0.005 0.000 1.203 1073 Y CB -0.037 38.366 38.460 -0.095 0.000 0.980 1073 Y HN 0.494 8.774 8.280 -0.000 0.000 0.530 1074 G N -0.044 108.858 108.800 0.170 0.000 2.402 1074 G HA2 -0.223 3.738 3.960 0.003 0.000 0.216 1074 G HA3 -0.223 3.738 3.960 0.003 0.000 0.216 1074 G C 1.260 176.227 174.900 0.113 0.000 1.162 1074 G CA 1.269 46.447 45.100 0.130 0.000 0.777 1074 G HN 0.289 8.579 8.290 -0.000 0.000 0.539 1075 D N 0.051 120.505 120.400 0.090 0.000 2.144 1075 D HA -0.086 4.556 4.640 0.003 0.000 0.200 1075 D C 1.977 178.347 176.300 0.116 0.000 0.978 1075 D CA 0.454 54.501 54.000 0.078 0.000 0.833 1075 D CB -0.327 40.503 40.800 0.050 0.000 0.961 1075 D HN 0.332 8.702 8.370 -0.000 0.000 0.470 1076 F N 2.299 122.276 119.950 0.045 0.000 2.134 1076 F HA -0.145 4.384 4.527 0.002 0.000 0.299 1076 F C 2.274 178.146 175.800 0.119 0.000 1.097 1076 F CA 1.393 59.457 58.000 0.107 0.000 1.264 1076 F CB 0.029 39.150 39.000 0.200 0.000 1.001 1076 F HN -0.225 8.075 8.300 -0.000 0.000 0.479 1077 R N 0.061 120.625 120.500 0.108 0.000 2.073 1077 R HA -0.160 4.181 4.340 0.003 0.000 0.234 1077 R C 2.284 178.525 176.300 -0.098 0.000 1.134 1077 R CA 1.888 57.978 56.100 -0.016 0.000 0.952 1077 R CB -0.640 29.741 30.300 0.136 0.000 0.850 1077 R HN 0.477 8.747 8.270 -0.000 0.000 0.433 1078 Q N 0.380 120.156 119.800 -0.039 0.000 2.084 1078 Q HA -0.119 4.222 4.340 0.003 0.000 0.202 1078 Q C 2.223 178.160 176.000 -0.104 0.000 0.978 1078 Q CA 1.268 57.040 55.803 -0.051 0.000 0.844 1078 Q CB -0.101 28.630 28.738 -0.012 0.000 0.898 1078 Q HN 0.402 8.672 8.270 -0.000 0.000 0.426 1079 I N 0.546 121.050 120.570 -0.110 0.000 2.315 1079 I HA -0.231 3.941 4.170 0.003 0.000 0.248 1079 I C 2.660 178.665 176.117 -0.187 0.000 1.117 1079 I CA 0.735 61.963 61.300 -0.120 0.000 1.404 1079 I CB -0.312 37.686 38.000 -0.003 0.000 1.071 1079 I HN 0.155 8.365 8.210 -0.000 0.000 0.419 1080 R N 1.282 121.600 120.500 -0.303 0.000 2.115 1080 R HA -0.170 4.171 4.340 0.003 0.000 0.230 1080 R C 1.459 177.658 176.300 -0.168 0.000 1.111 1080 R CA 1.678 57.594 56.100 -0.306 0.000 0.976 1080 R CB -0.431 29.524 30.300 -0.575 0.000 0.870 1080 R HN 0.327 8.597 8.270 -0.000 0.000 0.445 1081 D N 0.507 120.818 120.400 -0.147 0.000 2.178 1081 D HA -0.098 4.544 4.640 0.003 0.000 0.202 1081 D C 2.002 178.240 176.300 -0.103 0.000 0.974 1081 D CA 0.919 54.861 54.000 -0.096 0.000 0.841 1081 D CB -0.110 40.647 40.800 -0.072 0.000 0.953 1081 D HN 0.317 8.687 8.370 -0.000 0.000 0.478 1082 I N 0.423 120.899 120.570 -0.155 0.000 2.252 1082 I HA -0.232 3.940 4.170 0.003 0.000 0.245 1082 I C 2.419 178.450 176.117 -0.144 0.000 1.102 1082 I CA 0.853 62.031 61.300 -0.204 0.000 1.385 1082 I CB -0.178 37.565 38.000 -0.428 0.000 1.064 1082 I HN -0.062 8.148 8.210 -0.000 0.000 0.414 1083 M N -0.277 119.258 119.600 -0.109 0.000 2.175 1083 M HA -0.240 4.241 4.480 0.003 0.000 0.264 1083 M C 2.381 178.674 176.300 -0.012 0.000 1.063 1083 M CA 1.631 56.923 55.300 -0.014 0.000 1.119 1083 M CB -0.440 32.184 32.600 0.039 0.000 1.377 1083 M HN 0.253 8.543 8.290 -0.000 0.000 0.415 1084 Q N 0.485 120.266 119.800 -0.032 0.000 2.084 1084 Q HA -0.157 4.185 4.340 0.003 0.000 0.202 1084 Q C 2.072 178.062 176.000 -0.017 0.000 0.978 1084 Q CA 1.814 57.605 55.803 -0.019 0.000 0.844 1084 Q CB -0.045 28.678 28.738 -0.025 0.000 0.898 1084 Q HN 0.549 8.819 8.270 -0.000 0.000 0.426 1085 A N 0.353 123.155 122.820 -0.029 0.000 1.969 1085 A HA -0.130 4.192 4.320 0.003 0.000 0.218 1085 A C 1.887 179.464 177.584 -0.012 0.000 1.169 1085 A CA 1.013 53.036 52.037 -0.023 0.000 0.635 1085 A CB -0.509 18.470 19.000 -0.034 0.000 0.810 1085 A HN 0.472 8.622 8.150 -0.000 0.000 0.445 1086 L N -0.250 120.968 121.223 -0.007 0.000 2.217 1086 L HA 0.052 4.394 4.340 0.003 0.000 0.211 1086 L C 1.937 178.813 176.870 0.010 0.000 1.107 1086 L CA 1.275 56.122 54.840 0.011 0.000 0.783 1086 L CB -0.559 41.524 42.059 0.040 0.000 0.919 1086 L HN 0.377 8.607 8.230 -0.000 0.000 0.442 1087 L N -0.771 120.456 121.223 0.007 0.000 2.353 1087 L HA -0.145 4.196 4.340 0.003 0.000 0.220 1087 L C 2.378 179.247 176.870 -0.002 0.000 1.133 1087 L CA 1.038 55.880 54.840 0.004 0.000 0.798 1087 L CB -0.722 41.340 42.059 0.005 0.000 0.922 1087 L HN 0.392 8.622 8.230 -0.000 0.000 0.445 1088 V N -3.405 116.507 119.914 -0.003 0.000 2.871 1088 V HA 0.033 4.155 4.120 0.003 0.000 0.256 1088 V C 1.504 177.593 176.094 -0.008 0.000 1.082 1088 V CA 0.330 62.627 62.300 -0.004 0.000 1.105 1088 V CB -0.535 31.285 31.823 -0.004 0.000 0.713 1088 V HN 0.196 8.386 8.190 -0.000 0.000 0.473 1089 R N 1.941 122.436 120.500 -0.008 0.000 2.615 1089 R HA 0.420 4.761 4.340 0.003 0.000 0.270 1089 R C -2.444 173.843 176.300 -0.022 0.000 1.081 1089 R CA -2.500 53.592 56.100 -0.013 0.000 1.154 1089 R CB -0.680 29.614 30.300 -0.011 0.000 1.063 1089 R HN 0.308 8.578 8.270 -0.000 0.000 0.519 1090 P HA 0.159 4.579 4.420 -0.000 0.000 0.271 1090 P C -0.445 176.821 177.300 -0.057 0.000 1.216 1090 P CA 0.191 63.268 63.100 -0.039 0.000 0.771 1090 P CB 0.741 32.416 31.700 -0.041 0.000 0.864 1091 L N 1.464 122.650 121.223 -0.063 0.000 2.216 1091 L HA 0.582 4.924 4.340 0.003 0.000 0.260 1091 L C 1.350 178.145 176.870 -0.125 0.000 1.036 1091 L CA -1.274 53.509 54.840 -0.096 0.000 0.914 1091 L CB 0.891 42.907 42.059 -0.070 0.000 1.501 1091 L HN 0.316 8.546 8.230 -0.000 0.000 0.485 1092 G N 0.286 108.955 108.800 -0.218 0.000 2.789 1092 G HA2 0.274 4.236 3.960 0.003 0.000 0.281 1092 G HA3 0.274 4.236 3.960 0.003 0.000 0.281 1092 G C 0.885 175.783 174.900 -0.004 0.000 0.708 1092 G CA 0.510 45.469 45.100 -0.235 0.000 2.067 1092 G HN 0.713 9.003 8.290 -0.000 0.000 0.554 1093 K N 0.886 121.284 120.400 -0.004 0.000 1.984 1093 K HA -0.327 3.994 4.320 0.003 0.000 0.232 1093 K C 2.335 178.959 176.600 0.040 0.000 1.016 1093 K CA 3.171 59.466 56.287 0.013 0.000 1.010 1093 K CB -1.484 31.019 32.500 0.005 0.000 0.739 1093 K HN 0.872 9.122 8.250 -0.000 0.000 0.450 1094 E N 1.013 121.246 120.200 0.056 0.000 2.204 1094 E HA -0.033 4.319 4.350 0.003 0.000 0.195 1094 E C 1.306 177.928 176.600 0.036 0.000 0.990 1094 E CA 1.118 57.536 56.400 0.030 0.000 0.821 1094 E CB -0.755 28.947 29.700 0.003 0.000 0.750 1094 E HN 0.814 9.174 8.360 -0.000 0.000 0.477 1095 H N -1.351 117.689 119.070 -0.049 0.000 3.164 1095 H HA 0.203 4.761 4.556 0.003 0.000 0.340 1095 H C 1.874 177.160 175.328 -0.069 0.000 1.101 1095 H CA 1.510 57.527 56.048 -0.052 0.000 1.331 1095 H CB 0.560 30.296 29.762 -0.044 0.000 1.231 1095 H HN 0.383 8.663 8.280 -0.000 0.000 0.602 1096 T N 2.224 116.764 114.554 -0.025 0.000 3.400 1096 T HA 0.062 4.414 4.350 0.003 0.000 0.254 1096 T C 1.949 176.608 174.700 -0.068 0.000 1.153 1096 T CA 0.618 62.668 62.100 -0.083 0.000 1.012 1096 T CB -0.436 68.365 68.868 -0.112 0.000 0.994 1096 T HN 0.330 8.570 8.240 -0.000 0.000 0.555 1097 V N 1.921 121.836 119.914 0.001 0.000 2.594 1097 V HA -0.223 3.899 4.120 0.003 0.000 0.253 1097 V C 3.114 179.158 176.094 -0.084 0.000 1.069 1097 V CA 2.166 64.441 62.300 -0.042 0.000 1.082 1097 V CB -0.589 31.233 31.823 -0.002 0.000 0.680 1097 V HN 0.882 9.072 8.190 -0.000 0.000 0.469 1098 S N 0.817 116.477 115.700 -0.066 0.000 2.368 1098 S HA -0.244 4.228 4.470 0.003 0.000 0.225 1098 S C 2.023 176.580 174.600 -0.071 0.000 1.030 1098 S CA 1.333 59.496 58.200 -0.060 0.000 0.999 1098 S CB -0.463 62.704 63.200 -0.055 0.000 0.844 1098 S HN 0.624 8.934 8.310 -0.000 0.000 0.459 1099 R N 1.140 121.549 120.500 -0.151 0.000 2.073 1099 R HA 0.083 4.424 4.340 0.003 0.000 0.234 1099 R C 2.605 178.924 176.300 0.031 0.000 1.134 1099 R CA 1.446 57.447 56.100 -0.165 0.000 0.952 1099 R CB -0.903 29.073 30.300 -0.540 0.000 0.850 1099 R HN 0.476 8.746 8.270 -0.000 0.000 0.433 1100 L N 1.266 122.374 121.223 -0.193 0.000 2.079 1100 L HA -0.186 4.156 4.340 0.003 0.000 0.210 1100 L C 2.022 178.711 176.870 -0.302 0.000 1.081 1100 L CA 1.473 55.977 54.840 -0.560 0.000 0.752 1100 L CB -0.151 41.417 42.059 -0.819 0.000 0.896 1100 L HN 0.200 8.430 8.230 -0.000 0.000 0.433 1101 L N -0.736 120.412 121.223 -0.124 0.000 2.109 1101 L HA -0.111 4.231 4.340 0.003 0.000 0.207 1101 L C 2.870 179.774 176.870 0.056 0.000 1.086 1101 L CA 0.454 55.283 54.840 -0.019 0.000 0.760 1101 L CB -0.597 41.455 42.059 -0.011 0.000 0.910 1101 L HN 0.234 8.464 8.230 -0.000 0.000 0.437 1102 R N -0.012 120.543 120.500 0.091 0.000 2.081 1102 R HA -0.089 4.253 4.340 0.003 0.000 0.235 1102 R C 2.234 178.614 176.300 0.134 0.000 1.131 1102 R CA 1.031 57.210 56.100 0.132 0.000 0.960 1102 R CB -0.903 29.523 30.300 0.210 0.000 0.856 1102 R HN 0.217 8.487 8.270 -0.000 0.000 0.436 1103 V N 1.319 121.332 119.914 0.165 0.000 2.261 1103 V HA -0.274 3.848 4.120 0.003 0.000 0.246 1103 V C 2.563 178.772 176.094 0.191 0.000 1.047 1103 V CA 1.630 64.030 62.300 0.166 0.000 1.015 1103 V CB -0.446 31.557 31.823 0.301 0.000 0.642 1103 V HN 0.184 8.374 8.190 -0.000 0.000 0.446 1104 M N -0.412 119.347 119.600 0.265 0.000 2.144 1104 M HA -0.252 4.230 4.480 0.003 0.000 0.260 1104 M C 2.250 178.682 176.300 0.220 0.000 1.067 1104 M CA 1.844 57.316 55.300 0.287 0.000 1.095 1104 M CB -1.242 31.506 32.600 0.246 0.000 1.365 1104 M HN 0.526 8.816 8.290 -0.000 0.000 0.406 1105 Q N -1.035 118.856 119.800 0.153 0.000 2.050 1105 Q HA -0.204 4.137 4.340 0.003 0.000 0.202 1105 Q C 2.457 178.530 176.000 0.120 0.000 0.980 1105 Q CA 2.005 57.883 55.803 0.125 0.000 0.840 1105 Q CB -0.160 28.635 28.738 0.094 0.000 0.898 1105 Q HN 0.597 8.867 8.270 -0.000 0.000 0.424 1106 C N 0.178 119.535 119.300 0.095 0.000 2.432 1106 C HA -0.086 4.376 4.460 0.003 0.000 0.277 1106 C C 2.560 177.572 174.990 0.037 0.000 1.249 1106 C CA 0.704 59.757 59.018 0.058 0.000 1.725 1106 C CB -1.136 26.621 27.740 0.029 0.000 2.028 1106 C HN 0.632 8.862 8.230 -0.000 0.000 0.477 1107 L N 0.491 121.717 121.223 0.005 0.000 2.131 1107 L HA -0.122 4.219 4.340 0.003 0.000 0.210 1107 L C 2.788 179.741 176.870 0.139 0.000 1.092 1107 L CA 1.658 56.420 54.840 -0.130 0.000 0.759 1107 L CB -0.612 41.254 42.059 -0.321 0.000 0.903 1107 L HN 0.352 8.582 8.230 -0.000 0.000 0.435 1108 S N -0.645 115.248 115.700 0.323 0.000 2.368 1108 S HA -0.121 4.351 4.470 0.003 0.000 0.225 1108 S C 2.073 176.821 174.600 0.247 0.000 1.030 1108 S CA 0.925 59.356 58.200 0.385 0.000 0.999 1108 S CB -0.119 63.247 63.200 0.278 0.000 0.844 1108 S HN 0.331 8.641 8.310 -0.000 0.000 0.459 1109 R N 1.043 121.647 120.500 0.174 0.000 2.073 1109 R HA 0.064 4.406 4.340 0.003 0.000 0.234 1109 R C 2.185 178.595 176.300 0.183 0.000 1.134 1109 R CA 1.067 57.255 56.100 0.148 0.000 0.952 1109 R CB -1.124 29.246 30.300 0.117 0.000 0.850 1109 R HN 0.452 8.722 8.270 -0.000 0.000 0.433 1110 I N 1.022 121.700 120.570 0.180 0.000 2.179 1110 I HA -0.224 3.948 4.170 0.003 0.000 0.242 1110 I C 2.636 178.938 176.117 0.309 0.000 1.088 1110 I CA 1.152 62.595 61.300 0.240 0.000 1.357 1110 I CB -0.331 37.704 38.000 0.058 0.000 1.051 1110 I HN 0.152 8.362 8.210 -0.000 0.000 0.409 1111 E N 1.681 122.030 120.200 0.249 0.000 2.160 1111 E HA -0.265 4.087 4.350 0.003 0.000 0.195 1111 E C 1.757 178.417 176.600 0.100 0.000 0.991 1111 E CA 1.878 58.371 56.400 0.154 0.000 0.810 1111 E CB 0.065 29.912 29.700 0.244 0.000 0.742 1111 E HN 0.765 9.125 8.360 -0.000 0.000 0.466 1112 E N -1.729 118.553 120.200 0.138 0.000 2.460 1112 E HA 0.111 4.462 4.350 0.003 0.000 0.200 1112 E C 1.925 178.541 176.600 0.027 0.000 1.011 1112 E CA 0.517 56.956 56.400 0.065 0.000 0.912 1112 E CB -0.229 29.521 29.700 0.084 0.000 0.953 1112 E HN 0.139 8.499 8.360 -0.000 0.000 0.494 1113 G N 1.780 110.647 108.800 0.112 0.000 2.501 1113 G HA2 -0.322 3.640 3.960 0.003 0.000 0.220 1113 G HA3 -0.322 3.640 3.960 0.003 0.000 0.220 1113 G C 1.398 176.232 174.900 -0.109 0.000 1.114 1113 G CA 0.820 45.984 45.100 0.107 0.000 0.757 1113 G HN 0.410 8.700 8.290 -0.000 0.000 0.559 1114 E N 0.189 120.134 120.200 -0.426 0.000 2.358 1114 E HA -0.026 4.326 4.350 0.003 0.000 0.195 1114 E C 0.673 177.073 176.600 -0.333 0.000 1.010 1114 E CA -0.283 55.689 56.400 -0.713 0.000 0.856 1114 E CB 0.052 29.080 29.700 -1.121 0.000 0.795 1114 E HN 0.348 8.708 8.360 -0.000 0.000 0.504 1120 F N 2.867 122.821 119.950 0.006 0.000 2.438 1120 F HA 0.480 5.008 4.527 0.002 0.000 0.356 1120 F C 0.060 175.865 175.800 0.009 0.000 1.099 1120 F CA -0.216 57.789 58.000 0.008 0.000 1.185 1120 F CB 0.755 39.760 39.000 0.008 0.000 1.115 1120 F HN 0.488 8.788 8.300 -0.000 0.000 0.526 1121 D N 6.446 126.481 120.400 -0.609 0.000 2.373 1121 D HA 0.091 4.732 4.640 0.003 0.000 0.227 1121 D C 0.666 176.665 176.300 -0.503 0.000 1.091 1121 D CA -0.219 53.548 54.000 -0.389 0.000 0.840 1121 D CB 1.480 42.124 40.800 -0.260 0.000 1.060 1121 D HN 0.787 9.157 8.370 -0.000 0.000 0.502 1122 M N 2.729 122.235 119.600 -0.157 0.000 2.557 1122 M HA -0.039 4.443 4.480 0.003 0.000 0.259 1122 M C 1.211 177.487 176.300 -0.039 0.000 1.086 1122 M CA 1.161 56.458 55.300 -0.006 0.000 1.096 1122 M CB 0.320 32.990 32.600 0.117 0.000 1.424 1122 M HN 0.377 8.667 8.290 -0.000 0.000 0.488 1123 E N -0.885 119.273 120.200 -0.070 0.000 2.472 1123 E HA 0.256 4.607 4.350 0.003 0.000 0.196 1123 E C -0.043 176.523 176.600 -0.058 0.000 1.033 1123 E CA 0.025 56.400 56.400 -0.043 0.000 0.886 1123 E CB 0.522 30.206 29.700 -0.025 0.000 0.944 1123 E HN 0.341 8.701 8.360 -0.000 0.000 0.492 1124 A N 1.341 124.095 122.820 -0.110 0.000 2.530 1124 A HA 0.299 4.621 4.320 0.003 0.000 0.279 1124 A C -0.213 177.291 177.584 -0.134 0.000 1.109 1124 A CA -0.693 51.288 52.037 -0.092 0.000 0.763 1124 A CB 0.846 19.804 19.000 -0.069 0.000 1.257 1124 A HN -0.037 8.113 8.150 -0.000 0.000 0.424 1125 E N 1.681 121.832 120.200 -0.082 0.000 2.152 1125 E HA 0.049 4.401 4.350 0.003 0.000 0.192 1125 E C 0.296 176.873 176.600 -0.039 0.000 0.983 1125 E CA 0.561 56.922 56.400 -0.066 0.000 0.818 1125 E CB -0.154 29.542 29.700 -0.007 0.000 0.758 1125 E HN 0.469 8.829 8.360 -0.000 0.000 0.467 1126 L N 1.699 122.911 121.223 -0.018 0.000 2.399 1126 L HA 0.278 4.619 4.340 0.003 0.000 0.266 1126 L C 0.561 177.429 176.870 -0.003 0.000 1.114 1126 L CA -0.408 54.436 54.840 0.007 0.000 0.804 1126 L CB 1.124 43.200 42.059 0.029 0.000 1.146 1126 L HN 0.108 8.338 8.230 -0.000 0.000 0.451 1127 T N -0.386 114.175 114.554 0.011 0.000 2.882 1127 T HA 0.308 4.660 4.350 0.003 0.000 0.287 1127 T C -1.881 172.835 174.700 0.027 0.000 1.014 1127 T CA -1.494 60.610 62.100 0.007 0.000 1.049 1127 T CB 0.874 69.747 68.868 0.009 0.000 1.001 1127 T HN 0.422 8.662 8.240 -0.000 0.000 0.525 1128 P HA -0.101 4.319 4.420 -0.000 0.000 0.216 1128 P C 1.677 179.029 177.300 0.086 0.000 1.157 1128 P CA 1.136 64.274 63.100 0.064 0.000 0.880 1128 P CB -0.071 31.674 31.700 0.076 0.000 0.791 1129 L N -0.865 120.417 121.223 0.098 0.000 2.141 1129 L HA -0.153 4.188 4.340 0.003 0.000 0.209 1129 L C 2.338 179.233 176.870 0.041 0.000 1.094 1129 L CA 1.413 56.317 54.840 0.107 0.000 0.763 1129 L CB -0.819 41.311 42.059 0.119 0.000 0.908 1129 L HN 0.060 8.290 8.230 -0.000 0.000 0.437 1130 E N -0.539 119.680 120.200 0.031 0.000 2.110 1130 E HA -0.215 4.137 4.350 0.003 0.000 0.193 1130 E C 2.335 178.947 176.600 0.021 0.000 0.988 1130 E CA 1.412 57.822 56.400 0.016 0.000 0.804 1130 E CB -0.017 29.732 29.700 0.081 0.000 0.745 1130 E HN 0.299 8.659 8.360 -0.000 0.000 0.458 1131 S N 0.411 116.135 115.700 0.040 0.000 2.387 1131 S HA -0.096 4.376 4.470 0.003 0.000 0.226 1131 S C 2.125 176.750 174.600 0.042 0.000 1.026 1131 S CA 0.978 59.203 58.200 0.042 0.000 0.972 1131 S CB -0.088 63.141 63.200 0.047 0.000 0.814 1131 S HN 0.304 8.614 8.310 -0.000 0.000 0.477 1132 A N 1.553 124.405 122.820 0.053 0.000 1.978 1132 A HA -0.008 4.314 4.320 0.003 0.000 0.220 1132 A C 2.072 179.671 177.584 0.026 0.000 1.170 1132 A CA 1.491 53.563 52.037 0.057 0.000 0.636 1132 A CB -0.790 18.268 19.000 0.095 0.000 0.810 1132 A HN 0.660 8.810 8.150 -0.000 0.000 0.448 1133 I N -0.039 120.525 120.570 -0.010 0.000 2.226 1133 I HA -0.272 3.900 4.170 0.003 0.000 0.245 1133 I C 2.142 178.251 176.117 -0.014 0.000 1.100 1133 I CA 1.212 62.483 61.300 -0.050 0.000 1.374 1133 I CB -0.543 37.363 38.000 -0.155 0.000 1.057 1133 I HN 0.325 8.535 8.210 -0.000 0.000 0.413 1134 N N 0.783 119.488 118.700 0.008 0.000 2.084 1134 N HA -0.134 4.608 4.740 0.003 0.000 0.190 1134 N C 1.951 177.481 175.510 0.034 0.000 1.030 1134 N CA 1.281 54.347 53.050 0.027 0.000 0.849 1134 N CB -0.530 37.979 38.487 0.037 0.000 1.012 1134 N HN 0.183 8.563 8.380 -0.000 0.000 0.423 1135 V N 1.463 121.400 119.914 0.039 0.000 2.407 1135 V HA -0.165 3.957 4.120 0.003 0.000 0.248 1135 V C 2.366 178.490 176.094 0.049 0.000 1.055 1135 V CA 0.960 63.289 62.300 0.050 0.000 1.049 1135 V CB -0.529 31.328 31.823 0.056 0.000 0.662 1135 V HN 0.177 8.367 8.190 -0.000 0.000 0.455 1136 L N 0.170 121.414 121.223 0.035 0.000 2.083 1136 L HA -0.095 4.247 4.340 0.003 0.000 0.209 1136 L C 2.443 179.336 176.870 0.038 0.000 1.083 1136 L CA 1.844 56.705 54.840 0.036 0.000 0.752 1136 L CB -0.805 41.255 42.059 0.001 0.000 0.899 1136 L HN 0.253 8.483 8.230 -0.000 0.000 0.433 1137 E N -0.775 119.443 120.200 0.030 0.000 2.150 1137 E HA -0.185 4.166 4.350 0.003 0.000 0.193 1137 E C 2.162 178.793 176.600 0.050 0.000 0.985 1137 E CA 1.385 57.806 56.400 0.034 0.000 0.814 1137 E CB -0.256 29.461 29.700 0.029 0.000 0.752 1137 E HN 0.570 8.930 8.360 -0.000 0.000 0.466 1138 M N -0.372 119.263 119.600 0.058 0.000 2.288 1138 M HA 0.006 4.487 4.480 0.003 0.000 0.266 1138 M C 2.243 178.612 176.300 0.116 0.000 1.072 1138 M CA 0.832 56.177 55.300 0.075 0.000 1.132 1138 M CB -0.057 32.585 32.600 0.071 0.000 1.386 1138 M HN 0.018 8.308 8.290 -0.000 0.000 0.432 1139 I N 0.343 120.979 120.570 0.110 0.000 2.252 1139 I HA -0.279 3.892 4.170 0.003 0.000 0.245 1139 I C 2.606 178.808 176.117 0.142 0.000 1.102 1139 I CA 1.211 62.593 61.300 0.136 0.000 1.385 1139 I CB -0.390 37.569 38.000 -0.068 0.000 1.064 1139 I HN 0.304 8.514 8.210 -0.000 0.000 0.414 1140 K N 0.773 121.216 120.400 0.073 0.000 2.032 1140 K HA -0.194 4.128 4.320 0.003 0.000 0.209 1140 K C 1.991 178.639 176.600 0.081 0.000 1.048 1140 K CA 2.120 58.442 56.287 0.059 0.000 0.927 1140 K CB -0.132 32.398 32.500 0.049 0.000 0.712 1140 K HN 0.200 8.450 8.250 -0.000 0.000 0.441 1141 T N 1.067 115.668 114.554 0.080 0.000 2.821 1141 T HA -0.077 4.275 4.350 0.003 0.000 0.267 1141 T C 1.456 176.198 174.700 0.070 0.000 1.046 1141 T CA 1.459 63.597 62.100 0.063 0.000 1.139 1141 T CB -0.063 68.835 68.868 0.050 0.000 0.871 1141 T HN 0.411 8.651 8.240 -0.000 0.000 0.454 1142 E N 0.150 120.418 120.200 0.115 0.000 2.086 1142 E HA 0.041 4.392 4.350 0.003 0.000 0.190 1142 E C 1.400 178.013 176.600 0.023 0.000 0.975 1142 E CA 0.711 57.152 56.400 0.069 0.000 0.813 1142 E CB -0.111 29.644 29.700 0.091 0.000 0.768 1142 E HN 0.430 8.790 8.360 -0.000 0.000 0.457 1143 F N 1.029 120.947 119.950 -0.053 0.000 2.802 1143 F HA 0.043 4.572 4.527 0.002 0.000 0.300 1143 F C 0.441 176.196 175.800 -0.076 0.000 1.168 1143 F CA 0.581 58.535 58.000 -0.078 0.000 1.433 1143 F CB -0.193 38.720 39.000 -0.144 0.000 1.115 1143 F HN -0.202 8.098 8.300 -0.000 0.000 0.582 1144 T N 1.688 116.298 114.554 0.092 0.000 3.580 1144 T HA -0.212 4.139 4.350 0.003 0.000 0.402 1144 T C -0.084 174.639 174.700 0.038 0.000 0.765 1144 T CA 0.147 62.274 62.100 0.045 0.000 2.064 1144 T CB -1.797 67.082 68.868 0.019 0.000 1.724 1144 T HN 0.075 8.315 8.240 -0.000 0.000 0.719 1145 L N 1.298 122.537 121.223 0.028 0.000 2.334 1145 L HA 0.576 4.917 4.340 0.003 0.000 0.275 1145 L C 1.465 178.350 176.870 0.025 0.000 1.036 1145 L CA -1.081 53.756 54.840 -0.004 0.000 0.807 1145 L CB 1.413 43.425 42.059 -0.079 0.000 1.231 1145 L HN 0.490 8.720 8.230 -0.000 0.000 0.438 1146 T N -2.622 111.954 114.554 0.036 0.000 2.868 1146 T HA 0.045 4.396 4.350 0.003 0.000 0.292 1146 T C 0.843 175.570 174.700 0.044 0.000 1.028 1146 T CA -0.533 61.590 62.100 0.039 0.000 1.059 1146 T CB 1.476 70.370 68.868 0.043 0.000 0.991 1146 T HN 0.666 8.906 8.240 -0.000 0.000 0.531 1147 E N 1.316 121.537 120.200 0.036 0.000 2.160 1147 E HA -0.092 4.259 4.350 0.003 0.000 0.195 1147 E C 2.145 178.766 176.600 0.036 0.000 0.991 1147 E CA 1.666 58.085 56.400 0.032 0.000 0.810 1147 E CB -0.883 28.831 29.700 0.024 0.000 0.742 1147 E HN 0.807 9.167 8.360 -0.000 0.000 0.466 1148 A N -0.065 122.780 122.820 0.042 0.000 1.898 1148 A HA -0.109 4.212 4.320 0.003 0.000 0.216 1148 A C 2.381 180.006 177.584 0.067 0.000 1.181 1148 A CA 1.579 53.643 52.037 0.045 0.000 0.620 1148 A CB -0.565 18.461 19.000 0.044 0.000 0.819 1148 A HN 0.199 8.349 8.150 -0.000 0.000 0.442 1149 V N -0.462 119.512 119.914 0.100 0.000 2.809 1149 V HA -0.126 3.995 4.120 0.003 0.000 0.256 1149 V C 2.172 178.407 176.094 0.235 0.000 1.080 1149 V CA 1.651 64.058 62.300 0.177 0.000 1.102 1149 V CB -0.293 31.654 31.823 0.208 0.000 0.705 1149 V HN 0.363 8.553 8.190 -0.000 0.000 0.475 1150 V N -0.387 119.604 119.914 0.129 0.000 2.949 1150 V HA 0.031 4.153 4.120 0.003 0.000 0.245 1150 V C 2.835 178.873 176.094 -0.094 0.000 1.086 1150 V CA 1.273 63.593 62.300 0.034 0.000 1.097 1150 V CB -0.450 31.409 31.823 0.060 0.000 0.762 1150 V HN 0.609 8.799 8.190 -0.000 0.000 0.470 1151 E N 1.765 121.945 120.200 -0.034 0.000 2.113 1151 E HA -0.416 3.936 4.350 0.003 0.000 0.210 1151 E C 2.375 178.930 176.600 -0.074 0.000 1.040 1151 E CA 2.681 59.055 56.400 -0.042 0.000 0.847 1151 E CB -1.284 28.410 29.700 -0.011 0.000 0.755 1151 E HN 0.876 9.236 8.360 -0.000 0.000 0.459 1152 S N -0.144 115.511 115.700 -0.076 0.000 2.359 1152 S HA -0.166 4.305 4.470 0.003 0.000 0.224 1152 S C 2.462 176.974 174.600 -0.147 0.000 1.035 1152 S CA 1.779 59.930 58.200 -0.082 0.000 1.018 1152 S CB -0.454 62.715 63.200 -0.051 0.000 0.876 1152 S HN 0.490 8.800 8.310 -0.000 0.000 0.448 1153 S N 2.042 117.558 115.700 -0.308 0.000 2.368 1153 S HA -0.030 4.442 4.470 0.003 0.000 0.225 1153 S C 2.083 176.543 174.600 -0.234 0.000 1.030 1153 S CA 1.139 59.085 58.200 -0.424 0.000 0.999 1153 S CB -0.362 62.190 63.200 -1.080 0.000 0.844 1153 S HN 0.551 8.861 8.310 -0.000 0.000 0.459 1154 R N 1.339 121.719 120.500 -0.200 0.000 2.103 1154 R HA -0.147 4.194 4.340 0.003 0.000 0.234 1154 R C 2.851 179.103 176.300 -0.081 0.000 1.132 1154 R CA 1.934 57.964 56.100 -0.118 0.000 0.925 1154 R CB -0.838 29.410 30.300 -0.087 0.000 0.842 1154 R HN 0.455 8.725 8.270 -0.000 0.000 0.430 1155 K N 1.185 121.546 120.400 -0.066 0.000 2.113 1155 K HA -0.167 4.155 4.320 0.003 0.000 0.208 1155 K C 1.995 178.573 176.600 -0.037 0.000 1.047 1155 K CA 1.844 58.105 56.287 -0.044 0.000 0.928 1155 K CB -0.989 31.492 32.500 -0.031 0.000 0.716 1155 K HN 0.114 8.364 8.250 -0.000 0.000 0.446 1156 L N 0.374 121.584 121.223 -0.021 0.000 2.017 1156 L HA -0.082 4.260 4.340 0.003 0.000 0.208 1156 L C 2.568 179.458 176.870 0.033 0.000 1.073 1156 L CA 1.490 56.353 54.840 0.038 0.000 0.745 1156 L CB -0.210 41.910 42.059 0.101 0.000 0.894 1156 L HN 0.226 8.456 8.230 -0.000 0.000 0.432 1157 V N -0.453 119.504 119.914 0.072 0.000 2.343 1157 V HA -0.309 3.812 4.120 0.003 0.000 0.247 1157 V C 2.544 178.591 176.094 -0.079 0.000 1.051 1157 V CA 1.895 64.239 62.300 0.074 0.000 1.036 1157 V CB -0.677 31.195 31.823 0.081 0.000 0.654 1157 V HN 0.442 8.632 8.190 -0.000 0.000 0.451 1158 K N -0.095 120.248 120.400 -0.095 0.000 2.026 1158 K HA -0.222 4.100 4.320 0.003 0.000 0.208 1158 K C 2.178 178.715 176.600 -0.105 0.000 1.048 1158 K CA 1.891 58.109 56.287 -0.115 0.000 0.929 1158 K CB -0.207 32.242 32.500 -0.086 0.000 0.713 1158 K HN 0.573 8.823 8.250 -0.000 0.000 0.439 1159 E N 0.495 120.628 120.200 -0.112 0.000 2.051 1159 E HA -0.168 4.183 4.350 0.003 0.000 0.192 1159 E C 2.052 178.506 176.600 -0.243 0.000 0.991 1159 E CA 1.065 57.380 56.400 -0.142 0.000 0.799 1159 E CB -0.121 29.514 29.700 -0.107 0.000 0.748 1159 E HN 0.320 8.680 8.360 -0.000 0.000 0.449 1160 A N 1.495 124.126 122.820 -0.314 0.000 1.933 1160 A HA -0.146 4.175 4.320 0.003 0.000 0.218 1160 A C 2.389 179.818 177.584 -0.259 0.000 1.175 1160 A CA 1.684 53.462 52.037 -0.430 0.000 0.628 1160 A CB -0.701 17.627 19.000 -1.119 0.000 0.814 1160 A HN 0.297 8.447 8.150 -0.000 0.000 0.444 1161 A N -0.547 122.167 122.820 -0.177 0.000 1.883 1161 A HA -0.043 4.279 4.320 0.003 0.000 0.217 1161 A C 2.263 179.796 177.584 -0.085 0.000 1.186 1161 A CA 2.009 53.998 52.037 -0.079 0.000 0.624 1161 A CB -0.957 18.011 19.000 -0.052 0.000 0.822 1161 A HN 0.403 8.553 8.150 -0.000 0.000 0.444 1162 V N 0.194 120.045 119.914 -0.105 0.000 2.283 1162 V HA -0.228 3.894 4.120 0.003 0.000 0.243 1162 V C 2.443 178.438 176.094 -0.165 0.000 1.039 1162 V CA 1.885 64.126 62.300 -0.098 0.000 1.016 1162 V CB -0.720 31.058 31.823 -0.074 0.000 0.650 1162 V HN 0.564 8.754 8.190 -0.000 0.000 0.449 1163 I N -0.346 120.061 120.570 -0.271 0.000 2.208 1163 I HA -0.264 3.908 4.170 0.003 0.000 0.245 1163 I C 2.432 178.341 176.117 -0.348 0.000 1.097 1163 I CA 1.457 62.519 61.300 -0.397 0.000 1.363 1163 I CB -0.382 37.151 38.000 -0.779 0.000 1.051 1163 I HN 0.257 8.467 8.210 -0.000 0.000 0.413 1164 I N 0.557 120.968 120.570 -0.265 0.000 2.286 1164 I HA -0.300 3.871 4.170 0.003 0.000 0.248 1164 I C 2.544 178.578 176.117 -0.139 0.000 1.115 1164 I CA 1.598 62.836 61.300 -0.103 0.000 1.392 1164 I CB -0.644 37.383 38.000 0.043 0.000 1.065 1164 I HN 0.375 8.585 8.210 -0.000 0.000 0.418 1165 C N 0.514 119.726 119.300 -0.145 0.000 2.440 1165 C HA -0.120 4.341 4.460 0.003 0.000 0.278 1165 C C 2.749 177.579 174.990 -0.266 0.000 1.295 1165 C CA 0.412 59.333 59.018 -0.163 0.000 1.738 1165 C CB -0.780 26.890 27.740 -0.117 0.000 1.987 1165 C HN 0.424 8.654 8.230 -0.000 0.000 0.492 1166 I N 1.359 121.768 120.570 -0.268 0.000 2.202 1166 I HA -0.170 4.001 4.170 0.003 0.000 0.242 1166 I C 2.915 178.844 176.117 -0.313 0.000 1.091 1166 I CA 2.039 63.119 61.300 -0.366 0.000 1.368 1166 I CB -0.610 37.313 38.000 -0.128 0.000 1.058 1166 I HN 0.337 8.547 8.210 -0.000 0.000 0.410 1167 K N 0.580 120.843 120.400 -0.229 0.000 2.103 1167 K HA -0.152 4.170 4.320 0.003 0.000 0.207 1167 K C 1.560 177.981 176.600 -0.298 0.000 1.048 1167 K CA 1.831 57.956 56.287 -0.270 0.000 0.930 1167 K CB -1.062 31.353 32.500 -0.142 0.000 0.716 1167 K HN 0.394 8.644 8.250 -0.000 0.000 0.444 1168 N N 0.450 119.006 118.700 -0.241 0.000 2.449 1168 N HA 0.001 4.743 4.740 0.003 0.000 0.191 1168 N C -0.744 174.642 175.510 -0.206 0.000 1.161 1168 N CA 0.396 53.330 53.050 -0.194 0.000 0.863 1168 N CB 0.355 38.750 38.487 -0.153 0.000 0.980 1168 N HN 0.507 8.887 8.380 -0.000 0.000 0.458 1169 K N 0.867 121.070 120.400 -0.328 0.000 3.585 1169 K HA -0.147 4.175 4.320 0.003 0.000 0.275 1169 K C -0.860 175.543 176.600 -0.329 0.000 1.026 1169 K CA 0.482 56.538 56.287 -0.384 0.000 0.800 1169 K CB -1.273 31.235 32.500 0.013 0.000 1.401 1169 K HN 0.355 8.605 8.250 -0.000 0.000 0.453 1170 E N 0.450 120.357 120.200 -0.488 0.000 4.129 1170 E HA 0.068 4.420 4.350 0.003 0.000 0.222 1170 E C 0.138 176.640 176.600 -0.163 0.000 1.179 1170 E CA -0.198 56.092 56.400 -0.183 0.000 1.334 1170 E CB 0.079 29.713 29.700 -0.111 0.000 1.202 1170 E HN 0.219 8.579 8.360 -0.000 0.000 0.428 1171 F N 1.206 121.171 119.950 0.024 0.000 2.287 1171 F HA -0.228 4.301 4.527 0.002 0.000 0.301 1171 F C 2.760 178.563 175.800 0.004 0.000 1.069 1171 F CA 1.572 59.577 58.000 0.009 0.000 1.372 1171 F CB -0.852 38.147 39.000 -0.002 0.000 1.056 1171 F HN 0.319 8.619 8.300 -0.000 0.000 0.523 1172 E N 1.438 121.753 120.200 0.193 0.000 2.031 1172 E HA -0.217 4.134 4.350 0.003 0.000 0.193 1172 E C 2.022 178.663 176.600 0.068 0.000 0.994 1172 E CA 1.794 58.262 56.400 0.113 0.000 0.800 1172 E CB -0.843 28.914 29.700 0.096 0.000 0.752 1172 E HN 0.535 8.895 8.360 -0.000 0.000 0.447 1173 K N -0.353 120.073 120.400 0.044 0.000 2.103 1173 K HA 0.189 4.511 4.320 0.003 0.000 0.204 1173 K C 2.629 179.238 176.600 0.014 0.000 1.052 1173 K CA 0.745 57.046 56.287 0.023 0.000 0.945 1173 K CB -0.054 32.449 32.500 0.005 0.000 0.722 1173 K HN 0.339 8.589 8.250 -0.000 0.000 0.443 1174 A N 1.341 124.163 122.820 0.002 0.000 1.933 1174 A HA -0.156 4.165 4.320 0.003 0.000 0.218 1174 A C 2.208 179.807 177.584 0.025 0.000 1.175 1174 A CA 1.785 53.819 52.037 -0.005 0.000 0.628 1174 A CB -0.453 18.531 19.000 -0.027 0.000 0.814 1174 A HN 0.158 8.308 8.150 -0.000 0.000 0.444 1175 S N -0.203 115.526 115.700 0.049 0.000 2.343 1175 S HA -0.079 4.392 4.470 0.003 0.000 0.219 1175 S C 2.501 177.112 174.600 0.018 0.000 1.033 1175 S CA 2.033 60.258 58.200 0.040 0.000 1.014 1175 S CB -0.551 62.679 63.200 0.051 0.000 0.915 1175 S HN 0.835 9.145 8.310 -0.000 0.000 0.435 1176 K N 1.439 121.850 120.400 0.017 0.000 2.044 1176 K HA -0.049 4.273 4.320 0.003 0.000 0.210 1176 K C 1.887 178.476 176.600 -0.019 0.000 1.049 1176 K CA 1.863 58.150 56.287 -0.001 0.000 0.927 1176 K CB -1.396 31.109 32.500 0.009 0.000 0.713 1176 K HN 0.493 8.743 8.250 -0.000 0.000 0.443 1177 I N -0.059 120.519 120.570 0.013 0.000 2.202 1177 I HA -0.189 3.983 4.170 0.003 0.000 0.242 1177 I C 2.589 178.734 176.117 0.048 0.000 1.091 1177 I CA 1.116 62.451 61.300 0.058 0.000 1.368 1177 I CB -0.202 37.857 38.000 0.098 0.000 1.058 1177 I HN 0.338 8.548 8.210 -0.000 0.000 0.410 1178 L N 1.858 123.098 121.223 0.028 0.000 1.989 1178 L HA -0.248 4.093 4.340 0.003 0.000 0.211 1178 L C 2.765 179.634 176.870 -0.000 0.000 1.071 1178 L CA 2.894 57.746 54.840 0.020 0.000 0.749 1178 L CB -1.241 40.825 42.059 0.011 0.000 0.890 1178 L HN 0.180 8.410 8.230 -0.000 0.000 0.431 1179 K N -0.104 120.285 120.400 -0.018 0.000 2.032 1179 K HA -0.147 4.174 4.320 0.003 0.000 0.209 1179 K C 2.395 178.951 176.600 -0.074 0.000 1.048 1179 K CA 2.625 58.892 56.287 -0.034 0.000 0.927 1179 K CB -1.679 30.803 32.500 -0.030 0.000 0.712 1179 K HN 0.596 8.846 8.250 -0.000 0.000 0.441 1180 K N 1.287 121.602 120.400 -0.141 0.000 2.032 1180 K HA -0.094 4.227 4.320 0.003 0.000 0.209 1180 K C 1.390 177.768 176.600 -0.371 0.000 1.048 1180 K CA 1.596 57.704 56.287 -0.299 0.000 0.927 1180 K CB -0.619 31.603 32.500 -0.463 0.000 0.712 1180 K HN 0.817 9.067 8.250 -0.000 0.000 0.441 1181 H N -2.422 116.645 119.070 -0.005 0.000 2.595 1181 H HA 0.561 5.118 4.556 0.003 0.000 0.346 1181 H C 1.400 176.721 175.328 -0.012 0.000 1.181 1181 H CA -0.011 56.032 56.048 -0.008 0.000 1.242 1181 H CB 0.830 30.586 29.762 -0.011 0.000 1.652 1181 H HN 0.743 9.023 8.280 -0.000 0.000 0.548 1193 N N 0.575 119.274 118.700 -0.002 0.000 2.300 1193 N HA -0.111 4.630 4.740 0.003 0.000 0.179 1193 N C 1.614 177.121 175.510 -0.004 0.000 1.016 1193 N CA 1.431 54.480 53.050 -0.002 0.000 0.876 1193 N CB -0.171 38.316 38.487 -0.001 0.000 0.979 1193 N HN 0.515 8.895 8.380 -0.000 0.000 0.432 1194 D N -0.053 120.343 120.400 -0.006 0.000 2.149 1194 D HA 0.054 4.696 4.640 0.003 0.000 0.201 1194 D C 2.391 178.683 176.300 -0.012 0.000 0.972 1194 D CA 1.500 55.493 54.000 -0.011 0.000 0.835 1194 D CB -0.317 40.475 40.800 -0.014 0.000 0.966 1194 D HN 0.413 8.783 8.370 -0.000 0.000 0.476 1195 L N 0.890 122.108 121.223 -0.009 0.000 2.012 1195 L HA 0.013 4.354 4.340 0.003 0.000 0.210 1195 L C 3.189 180.055 176.870 -0.006 0.000 1.073 1195 L CA 3.003 57.839 54.840 -0.007 0.000 0.748 1195 L CB -2.121 39.936 42.059 -0.003 0.000 0.891 1195 L HN 0.347 8.577 8.230 -0.000 0.000 0.431 1196 L N -0.104 121.115 121.223 -0.006 0.000 1.970 1196 L HA -0.191 4.151 4.340 0.003 0.000 0.212 1196 L C 2.830 179.696 176.870 -0.007 0.000 1.071 1196 L CA 4.065 58.901 54.840 -0.006 0.000 0.751 1196 L CB -2.608 39.448 42.059 -0.006 0.000 0.889 1196 L HN 0.902 9.132 8.230 -0.000 0.000 0.432 1197 N N 0.107 118.803 118.700 -0.007 0.000 2.061 1197 N HA -0.239 4.502 4.740 0.003 0.000 0.193 1197 N C 2.045 177.551 175.510 -0.006 0.000 1.030 1197 N CA 2.226 55.271 53.050 -0.007 0.000 0.856 1197 N CB -0.745 37.738 38.487 -0.007 0.000 1.023 1197 N HN 0.755 9.135 8.380 -0.000 0.000 0.424 1198 I N 0.189 120.754 120.570 -0.008 0.000 2.163 1198 I HA -0.204 3.968 4.170 0.003 0.000 0.243 1198 I C 2.344 178.467 176.117 0.011 0.000 1.085 1198 I CA 1.248 62.546 61.300 -0.004 0.000 1.347 1198 I CB -0.342 37.648 38.000 -0.017 0.000 1.044 1198 I HN 0.366 8.576 8.210 -0.000 0.000 0.408 1199 I N 0.773 121.345 120.570 0.004 0.000 2.127 1199 I HA -0.347 3.825 4.170 0.003 0.000 0.241 1199 I C 3.321 179.436 176.117 -0.004 0.000 1.075 1199 I CA 1.866 63.169 61.300 0.005 0.000 1.334 1199 I CB -0.768 37.231 38.000 -0.002 0.000 1.040 1199 I HN 0.230 8.440 8.210 -0.000 0.000 0.405 1200 R N 1.040 121.533 120.500 -0.011 0.000 2.081 1200 R HA -0.174 4.167 4.340 0.003 0.000 0.235 1200 R C 2.270 178.553 176.300 -0.028 0.000 1.131 1200 R CA 2.008 58.095 56.100 -0.022 0.000 0.960 1200 R CB -2.073 28.216 30.300 -0.019 0.000 0.856 1200 R HN 0.585 8.855 8.270 -0.000 0.000 0.436 1201 E N 0.367 120.561 120.200 -0.010 0.000 2.150 1201 E HA -0.080 4.272 4.350 0.003 0.000 0.193 1201 E C 2.437 179.048 176.600 0.019 0.000 0.985 1201 E CA 1.944 58.343 56.400 -0.001 0.000 0.814 1201 E CB -1.065 28.649 29.700 0.023 0.000 0.752 1201 E HN 0.852 9.212 8.360 -0.000 0.000 0.466 1202 K N -0.088 120.341 120.400 0.048 0.000 2.520 1202 K HA -0.030 4.292 4.320 0.003 0.000 0.197 1202 K C 1.847 178.376 176.600 -0.119 0.000 1.043 1202 K CA 1.514 57.868 56.287 0.111 0.000 0.944 1202 K CB -1.857 30.701 32.500 0.097 0.000 0.770 1202 K HN 0.827 9.077 8.250 -0.000 0.000 0.480 1203 N N -0.523 118.080 118.700 -0.161 0.000 2.413 1203 N HA 0.478 5.220 4.740 0.003 0.000 0.207 1203 N C 1.012 176.287 175.510 -0.391 0.000 1.206 1203 N CA 0.901 53.806 53.050 -0.242 0.000 0.832 1203 N CB -0.932 37.468 38.487 -0.145 0.000 1.037 1203 N HN 1.774 10.155 8.380 -0.000 0.000 0.467 1204 L N -3.042 117.801 121.223 -0.634 0.000 3.303 1204 L HA 0.309 4.651 4.340 0.003 0.000 0.563 1204 L C 0.298 176.926 176.870 -0.402 0.000 1.328 1204 L CA 0.473 54.843 54.840 -0.785 0.000 0.964 1204 L CB -2.440 39.179 42.059 -0.732 0.000 1.739 1204 L HN 1.817 10.047 8.230 -0.000 0.000 0.837 1205 A N -0.261 122.391 122.820 -0.280 0.000 2.457 1205 A HA 0.738 5.060 4.320 0.003 0.000 0.283 1205 A C 0.727 178.236 177.584 -0.126 0.000 1.166 1205 A CA 0.205 52.129 52.037 -0.189 0.000 0.740 1205 A CB 0.265 19.209 19.000 -0.093 0.000 1.181 1205 A HN 1.037 9.187 8.150 -0.000 0.000 0.446 1206 H N 2.014 121.141 119.070 0.094 0.000 2.431 1206 H HA 0.027 4.585 4.556 0.002 0.000 0.295 1206 H C -1.089 174.266 175.328 0.044 0.000 1.038 1206 H CA 0.798 56.891 56.048 0.075 0.000 1.360 1206 H CB -1.096 28.711 29.762 0.076 0.000 1.433 1206 H HN 0.441 8.721 8.280 -0.000 0.000 0.536 1207 P HA -0.055 4.365 4.420 -0.000 0.000 0.242 1207 P C -0.271 177.067 177.300 0.062 0.000 1.198 1207 P CA 0.591 63.744 63.100 0.089 0.000 0.756 1207 P CB -0.007 31.731 31.700 0.064 0.000 0.911 1208 V N 1.880 121.831 119.914 0.061 0.000 2.293 1208 V HA 0.152 4.274 4.120 0.003 0.000 0.275 1208 V C 1.418 177.534 176.094 0.038 0.000 1.021 1208 V CA -0.490 61.833 62.300 0.038 0.000 0.815 1208 V CB 0.597 32.432 31.823 0.021 0.000 1.025 1208 V HN 0.144 8.334 8.190 -0.000 0.000 0.448 1209 I N 3.821 124.414 120.570 0.038 0.000 3.464 1209 I HA -0.423 3.749 4.170 0.003 0.000 0.204 1209 I C 1.750 177.883 176.117 0.027 0.000 0.455 1209 I CA 2.451 63.772 61.300 0.034 0.000 1.290 1209 I CB -1.026 36.983 38.000 0.015 0.000 1.064 1209 I HN 0.812 9.022 8.210 -0.000 0.000 0.307 1210 Q N 0.658 120.477 119.800 0.032 0.000 2.547 1210 Q HA -0.017 4.324 4.340 0.003 0.000 0.217 1210 Q C 1.030 177.066 176.000 0.060 0.000 0.978 1210 Q CA 1.394 57.203 55.803 0.009 0.000 0.962 1210 Q CB -1.456 27.337 28.738 0.092 0.000 0.990 1210 Q HN 0.850 9.120 8.270 -0.000 0.000 0.538 1211 N N 0.451 119.212 118.700 0.101 0.000 2.714 1211 N HA 0.336 5.078 4.740 0.003 0.000 0.298 1211 N C -0.149 175.497 175.510 0.225 0.000 1.298 1211 N CA -0.484 52.650 53.050 0.140 0.000 1.007 1211 N CB -0.021 38.524 38.487 0.095 0.000 1.318 1211 N HN 0.733 9.113 8.380 -0.000 0.000 0.516 1212 F N -0.996 118.963 119.950 0.014 0.000 2.375 1212 F HA 0.539 5.068 4.527 0.003 0.000 0.317 1212 F C 0.331 176.150 175.800 0.033 0.000 1.124 1212 F CA -1.079 56.931 58.000 0.015 0.000 1.050 1212 F CB 0.934 39.932 39.000 -0.003 0.000 1.314 1212 F HN -0.171 8.129 8.300 -0.000 0.000 0.511 1213 S N 1.146 116.585 115.700 -0.435 0.000 2.456 1213 S HA 0.221 4.693 4.470 0.003 0.000 0.316 1213 S C 0.046 174.160 174.600 -0.810 0.000 1.089 1213 S CA -0.640 57.288 58.200 -0.454 0.000 1.101 1213 S CB 0.618 63.698 63.200 -0.199 0.000 0.995 1213 S HN 0.750 9.060 8.310 -0.000 0.000 0.468 1214 Y N 4.015 123.949 120.300 -0.610 0.000 2.293 1214 Y HA -0.011 4.540 4.550 0.003 0.000 0.291 1214 Y C 2.222 178.024 175.900 -0.163 0.000 1.137 1214 Y CA 1.748 59.639 58.100 -0.348 0.000 1.202 1214 Y CB 0.077 38.476 38.460 -0.103 0.000 0.990 1214 Y HN 0.705 8.985 8.280 -0.000 0.000 0.537 1215 E N -0.417 119.731 120.200 -0.087 0.000 2.038 1215 E HA -0.175 4.176 4.350 0.003 0.000 0.195 1215 E C 2.155 178.674 176.600 -0.136 0.000 1.000 1215 E CA 1.984 58.332 56.400 -0.086 0.000 0.803 1215 E CB -0.526 29.152 29.700 -0.036 0.000 0.750 1215 E HN 0.417 8.777 8.360 -0.000 0.000 0.448 1216 T N 1.185 115.649 114.554 -0.149 0.000 2.759 1216 T HA -0.165 4.186 4.350 0.003 0.000 0.269 1216 T C 1.582 176.207 174.700 -0.125 0.000 1.042 1216 T CA 1.294 63.321 62.100 -0.122 0.000 1.140 1216 T CB -0.410 68.390 68.868 -0.112 0.000 0.864 1216 T HN 0.188 8.428 8.240 -0.000 0.000 0.455 1217 F N 1.954 121.680 119.950 -0.374 0.000 2.113 1217 F HA -0.054 4.475 4.527 0.002 0.000 0.297 1217 F C 2.390 178.018 175.800 -0.288 0.000 1.103 1217 F CA 1.183 58.967 58.000 -0.361 0.000 1.248 1217 F CB -0.648 38.026 39.000 -0.544 0.000 0.999 1217 F HN 0.101 8.401 8.300 -0.000 0.000 0.475 1218 Q N -0.148 119.256 119.800 -0.659 0.000 2.030 1218 Q HA -0.245 4.096 4.340 0.003 0.000 0.204 1218 Q C 2.199 178.098 176.000 -0.168 0.000 0.986 1218 Q CA 1.843 57.345 55.803 -0.502 0.000 0.843 1218 Q CB -0.412 28.183 28.738 -0.238 0.000 0.904 1218 Q HN 0.442 8.712 8.270 -0.000 0.000 0.420 1219 Q N 0.639 120.385 119.800 -0.090 0.000 2.170 1219 Q HA -0.143 4.199 4.340 0.003 0.000 0.203 1219 Q C 1.756 177.716 176.000 -0.066 0.000 0.976 1219 Q CA 1.221 57.017 55.803 -0.010 0.000 0.858 1219 Q CB -0.173 28.549 28.738 -0.026 0.000 0.907 1219 Q HN 0.295 8.565 8.270 -0.000 0.000 0.433 1220 K N -0.444 119.878 120.400 -0.129 0.000 2.103 1220 K HA -0.026 4.296 4.320 0.003 0.000 0.204 1220 K C 1.943 178.480 176.600 -0.106 0.000 1.052 1220 K CA 0.629 56.860 56.287 -0.094 0.000 0.945 1220 K CB 0.160 32.620 32.500 -0.068 0.000 0.722 1220 K HN 0.065 8.315 8.250 -0.000 0.000 0.443 1221 M N 0.650 120.099 119.600 -0.251 0.000 2.175 1221 M HA -0.122 4.359 4.480 0.003 0.000 0.264 1221 M C 2.174 178.407 176.300 -0.112 0.000 1.063 1221 M CA 1.023 56.197 55.300 -0.210 0.000 1.119 1221 M CB -0.912 31.421 32.600 -0.444 0.000 1.377 1221 M HN 0.183 8.473 8.290 -0.000 0.000 0.415 1222 L N 0.654 121.774 121.223 -0.172 0.000 2.042 1222 L HA -0.179 4.163 4.340 0.003 0.000 0.210 1222 L C 2.499 179.297 176.870 -0.120 0.000 1.076 1222 L CA 1.888 56.605 54.840 -0.204 0.000 0.749 1222 L CB -0.506 41.470 42.059 -0.139 0.000 0.893 1222 L HN 0.197 8.427 8.230 -0.000 0.000 0.432 1223 R N -1.516 118.944 120.500 -0.066 0.000 2.096 1223 R HA -0.194 4.147 4.340 0.003 0.000 0.235 1223 R C 2.259 178.526 176.300 -0.056 0.000 1.127 1223 R CA 1.699 57.762 56.100 -0.061 0.000 0.968 1223 R CB -0.742 29.536 30.300 -0.036 0.000 0.861 1223 R HN 0.415 8.685 8.270 -0.000 0.000 0.440 1224 F N 1.812 121.685 119.950 -0.128 0.000 2.069 1224 F HA -0.198 4.330 4.527 0.002 0.000 0.298 1224 F C 1.909 177.649 175.800 -0.099 0.000 1.113 1224 F CA 1.510 59.447 58.000 -0.105 0.000 1.214 1224 F CB -0.421 38.536 39.000 -0.071 0.000 0.978 1224 F HN -0.120 8.180 8.300 -0.000 0.000 0.474 1225 L N 0.169 121.276 121.223 -0.194 0.000 2.042 1225 L HA -0.228 4.114 4.340 0.003 0.000 0.210 1225 L C 2.430 179.149 176.870 -0.252 0.000 1.076 1225 L CA 1.893 56.564 54.840 -0.281 0.000 0.749 1225 L CB -0.883 41.089 42.059 -0.144 0.000 0.893 1225 L HN 0.203 8.433 8.230 -0.000 0.000 0.432 1226 E N -0.137 119.943 120.200 -0.201 0.000 2.153 1226 E HA -0.195 4.157 4.350 0.003 0.000 0.194 1226 E C 2.232 178.715 176.600 -0.196 0.000 0.988 1226 E CA 1.390 57.697 56.400 -0.155 0.000 0.811 1226 E CB -0.116 29.499 29.700 -0.143 0.000 0.746 1226 E HN 0.538 8.898 8.360 -0.000 0.000 0.466 1227 S N 0.468 115.963 115.700 -0.342 0.000 2.500 1227 S HA -0.153 4.318 4.470 0.003 0.000 0.239 1227 S C 1.275 175.546 174.600 -0.548 0.000 0.989 1227 S CA 0.833 58.763 58.200 -0.450 0.000 0.951 1227 S CB -0.199 62.655 63.200 -0.577 0.000 0.759 1227 S HN 0.326 8.636 8.310 -0.000 0.000 0.523 1228 H N 0.133 119.085 119.070 -0.196 0.000 2.592 1228 H HA 0.500 5.058 4.556 0.003 0.000 0.279 1228 H C -0.064 175.329 175.328 0.107 0.000 1.089 1228 H CA -0.282 55.714 56.048 -0.087 0.000 1.150 1228 H CB 0.172 29.774 29.762 -0.266 0.000 1.575 1228 H HN 0.379 8.659 8.280 -0.000 0.000 0.547 1229 L N 0.601 121.906 121.223 0.137 0.000 2.322 1229 L HA 0.227 4.568 4.340 0.003 0.000 0.269 1229 L C 0.508 177.457 176.870 0.131 0.000 1.012 1229 L CA -1.049 53.913 54.840 0.204 0.000 0.815 1229 L CB 1.654 43.845 42.059 0.220 0.000 1.295 1229 L HN -0.007 8.223 8.230 -0.000 0.000 0.438 1230 D N 0.054 120.541 120.400 0.146 0.000 2.361 1230 D HA -0.090 4.552 4.640 0.003 0.000 0.239 1230 D C 0.313 176.671 176.300 0.098 0.000 1.200 1230 D CA 0.226 54.289 54.000 0.105 0.000 0.915 1230 D CB 0.923 41.786 40.800 0.104 0.000 1.170 1230 D HN 0.625 8.995 8.370 -0.000 0.000 0.444 1231 D N 0.984 121.427 120.400 0.072 0.000 2.360 1231 D HA 0.040 4.682 4.640 0.003 0.000 0.210 1231 D C -0.137 176.212 176.300 0.082 0.000 1.047 1231 D CA -0.236 53.801 54.000 0.062 0.000 0.854 1231 D CB 0.073 40.894 40.800 0.035 0.000 0.936 1231 D HN 0.431 8.801 8.370 -0.000 0.000 0.514 1232 A N 1.389 124.263 122.820 0.091 0.000 2.565 1232 A HA -0.003 4.318 4.320 0.003 0.000 0.237 1232 A C 0.364 178.015 177.584 0.112 0.000 1.053 1232 A CA 0.171 52.263 52.037 0.092 0.000 0.755 1232 A CB 0.081 19.137 19.000 0.094 0.000 0.980 1232 A HN 0.403 8.553 8.150 -0.000 0.000 0.506 1233 E N 2.353 122.594 120.200 0.067 0.000 2.331 1233 E HA 0.376 4.728 4.350 0.003 0.000 0.272 1233 E C -2.335 174.269 176.600 0.007 0.000 1.036 1233 E CA -1.790 54.613 56.400 0.006 0.000 0.864 1233 E CB 0.470 30.150 29.700 -0.034 0.000 1.035 1233 E HN 0.446 8.806 8.360 -0.000 0.000 0.408 1234 P HA -0.038 4.382 4.420 -0.000 0.000 0.268 1234 P C -0.385 176.924 177.300 0.016 0.000 1.204 1234 P CA 0.062 63.194 63.100 0.054 0.000 0.768 1234 P CB 0.293 32.044 31.700 0.084 0.000 0.842 1235 Y N 3.426 123.659 120.300 -0.112 0.000 2.193 1235 Y HA -0.252 4.299 4.550 0.003 0.000 0.285 1235 Y C 1.510 177.210 175.900 -0.333 0.000 1.166 1235 Y CA 1.871 59.807 58.100 -0.273 0.000 1.181 1235 Y CB -0.664 37.494 38.460 -0.503 0.000 0.976 1235 Y HN 0.198 8.478 8.280 -0.000 0.000 0.520 1236 L N -0.781 120.205 121.223 -0.396 0.000 2.093 1236 L HA -0.156 4.186 4.340 0.003 0.000 0.208 1236 L C 2.325 178.919 176.870 -0.460 0.000 1.085 1236 L CA 1.274 55.784 54.840 -0.549 0.000 0.755 1236 L CB -1.303 40.429 42.059 -0.545 0.000 0.904 1236 L HN 0.354 8.584 8.230 -0.000 0.000 0.435 1237 L N -1.120 119.993 121.223 -0.184 0.000 2.056 1237 L HA -0.156 4.186 4.340 0.003 0.000 0.207 1237 L C 2.361 179.117 176.870 -0.190 0.000 1.078 1237 L CA 1.916 56.704 54.840 -0.088 0.000 0.749 1237 L CB -0.951 41.082 42.059 -0.043 0.000 0.901 1237 L HN 0.242 8.472 8.230 -0.000 0.000 0.433 1238 T N -0.219 114.196 114.554 -0.233 0.000 2.684 1238 T HA -0.191 4.160 4.350 0.003 0.000 0.267 1238 T C 1.900 176.427 174.700 -0.289 0.000 1.036 1238 T CA 1.915 63.880 62.100 -0.225 0.000 1.148 1238 T CB -0.190 68.559 68.868 -0.199 0.000 0.863 1238 T HN 0.212 8.452 8.240 -0.000 0.000 0.436 1239 M N 1.019 120.341 119.600 -0.464 0.000 2.175 1239 M HA 0.147 4.629 4.480 0.003 0.000 0.264 1239 M C 2.798 178.920 176.300 -0.296 0.000 1.063 1239 M CA 1.016 56.053 55.300 -0.438 0.000 1.119 1239 M CB -1.654 30.560 32.600 -0.643 0.000 1.377 1239 M HN 0.301 8.591 8.290 -0.000 0.000 0.415 1240 A N 0.641 123.287 122.820 -0.289 0.000 1.883 1240 A HA -0.190 4.132 4.320 0.003 0.000 0.217 1240 A C 2.333 179.833 177.584 -0.141 0.000 1.186 1240 A CA 1.781 53.693 52.037 -0.208 0.000 0.624 1240 A CB -0.573 18.307 19.000 -0.200 0.000 0.822 1240 A HN 0.476 8.626 8.150 -0.000 0.000 0.444 1241 K N -0.353 119.969 120.400 -0.130 0.000 2.097 1241 K HA -0.107 4.214 4.320 0.003 0.000 0.206 1241 K C 1.990 178.537 176.600 -0.089 0.000 1.049 1241 K CA 1.555 57.788 56.287 -0.091 0.000 0.933 1241 K CB -0.144 32.308 32.500 -0.079 0.000 0.717 1241 K HN 0.402 8.652 8.250 -0.000 0.000 0.442 1242 K N 0.169 120.502 120.400 -0.113 0.000 2.288 1242 K HA -0.018 4.304 4.320 0.003 0.000 0.201 1242 K C 1.760 178.308 176.600 -0.088 0.000 1.048 1242 K CA 0.821 57.051 56.287 -0.096 0.000 0.956 1242 K CB 0.126 32.560 32.500 -0.110 0.000 0.746 1242 K HN 0.092 8.342 8.250 -0.000 0.000 0.461 1243 A N 1.164 123.923 122.820 -0.102 0.000 2.238 1243 A HA 0.338 4.660 4.320 0.003 0.000 0.208 1243 A C 0.914 178.458 177.584 -0.066 0.000 1.177 1243 A CA 0.788 52.773 52.037 -0.086 0.000 0.804 1243 A CB -0.823 18.116 19.000 -0.103 0.000 0.823 1243 A HN 0.270 8.420 8.150 -0.000 0.000 0.482 1244 L N 0.000 121.185 121.223 -0.063 0.000 2.949 1244 L HA 0.000 4.342 4.340 0.003 0.000 0.249 1244 L CA 0.000 54.812 54.840 -0.047 0.000 0.813 1244 L CB 0.000 42.036 42.059 -0.038 0.000 0.961 1244 L HN 0.000 8.230 8.230 -0.000 0.000 0.502