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 3k37_1_B DATA FIRST_RESID 78 DATA SEQUENCE PEWTYPRLSc PGSTFQKALL ISPHRFGETK GNSAPLIIRE PFIAcGPKEc DATA SEQUENCE KHFALTHYAA QPGGYYNGTR GDRNKLRHLI SVKLGKIPTV ENSIFHMAAW DATA SEQUENCE SGSAcHDGKE WTYIGVDGPD NNALLKIKYG EAYTDTYHSY ANNILRTQES DATA SEQUENCE AcNcIGGNcY LMITDGSASG ISECRFLKIR EGRIIKEIFP TGRVKHTEEc DATA SEQUENCE TcGFASNKTI EcAcRDNSYT AKRPFVKLNV ETDTAEIRLM cTETYLDTPR DATA SEQUENCE PDDGSITGPc ESNGDKGSGG IKGGFVHQRM ASKIGRWYSR TMSKTKRMGM DATA SEQUENCE GLYVKYDGDP WTDSDALALS GVMVSMEEPG WYSFGFEIKD KKcDVPcIGI DATA SEQUENCE EMVHDGGKET WHSAATAIYc LMGSGQLLWD TVTGVDMAL 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 78 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 78 P C 0.000 177.167 177.300 -0.222 0.000 1.155 78 P CA 0.000 63.022 63.100 -0.131 0.000 0.800 78 P CB 0.000 31.646 31.700 -0.090 0.000 0.726 79 E N -0.232 119.872 120.200 -0.160 0.000 2.214 79 E HA 0.449 4.796 4.350 -0.004 0.000 0.274 79 E C -1.123 175.408 176.600 -0.116 0.000 0.977 79 E CA -0.585 55.706 56.400 -0.182 0.000 0.827 79 E CB 0.530 30.209 29.700 -0.035 0.000 1.130 79 E HN 0.355 8.715 8.360 -0.000 0.000 0.394 80 W N 2.031 123.342 121.300 0.018 0.000 2.170 80 W HA 0.128 4.786 4.660 -0.004 0.000 0.342 80 W C 0.727 177.198 176.519 -0.080 0.000 1.294 80 W CA -0.458 56.845 57.345 -0.070 0.000 1.246 80 W CB 0.348 29.709 29.460 -0.164 0.000 1.156 80 W HN 0.334 8.514 8.180 -0.000 0.000 0.572 81 T N 0.096 114.723 114.554 0.123 0.000 2.909 81 T HA 0.488 4.836 4.350 -0.004 0.000 0.286 81 T C -1.017 173.541 174.700 -0.237 0.000 1.002 81 T CA -0.644 61.480 62.100 0.039 0.000 1.074 81 T CB 0.825 69.728 68.868 0.059 0.000 0.984 81 T HN 0.300 8.540 8.240 -0.000 0.000 0.495 82 Y N 1.130 121.405 120.300 -0.043 0.000 2.524 82 Y HA 0.505 5.053 4.550 -0.004 0.000 0.344 82 Y C -2.102 173.667 175.900 -0.218 0.000 1.012 82 Y CA -2.775 55.218 58.100 -0.178 0.000 1.068 82 Y CB 1.614 39.993 38.460 -0.135 0.000 1.249 82 Y HN 0.527 8.807 8.280 -0.000 0.000 0.468 83 P HA 0.178 4.598 4.420 -0.000 0.000 0.267 83 P C -0.988 176.276 177.300 -0.060 0.000 1.205 83 P CA -0.031 62.958 63.100 -0.184 0.000 0.765 83 P CB 1.023 32.508 31.700 -0.358 0.000 0.828 84 R N 1.576 122.069 120.500 -0.012 0.000 2.944 84 R HA 0.568 4.906 4.340 -0.004 0.000 0.233 84 R C -0.159 176.144 176.300 0.006 0.000 1.346 84 R CA -1.262 54.836 56.100 -0.003 0.000 1.082 84 R CB -0.172 30.132 30.300 0.008 0.000 1.434 84 R HN 0.200 8.470 8.270 -0.000 0.000 0.510 85 L N 1.024 122.251 121.223 0.007 0.000 2.514 85 L HA 0.068 4.406 4.340 -0.004 0.000 0.280 85 L C -0.016 176.870 176.870 0.026 0.000 1.223 85 L CA 0.728 55.580 54.840 0.019 0.000 0.864 85 L CB 0.421 42.489 42.059 0.014 0.000 1.118 85 L HN 0.596 8.826 8.230 -0.000 0.000 0.494 86 S N 1.221 116.947 115.700 0.042 0.000 2.576 86 S HA 0.157 4.625 4.470 -0.004 0.000 0.276 86 S C 0.125 174.737 174.600 0.021 0.000 1.339 86 S CA -0.882 57.340 58.200 0.036 0.000 1.039 86 S CB 0.359 63.598 63.200 0.066 0.000 0.902 86 S HN 0.695 9.005 8.310 -0.000 0.000 0.516 87 c N 3.597 122.195 118.600 -0.003 0.000 2.741 87 c HA 0.202 4.769 4.570 -0.004 0.000 0.403 87 c C -1.677 172.412 174.090 -0.001 0.000 1.282 87 c CA -0.995 55.327 56.329 -0.012 0.000 2.053 87 c CB -1.159 41.329 42.510 -0.037 0.000 2.731 87 c HN 0.619 8.849 8.230 -0.000 0.000 0.680 88 P HA 0.448 4.868 4.420 -0.000 0.000 0.269 88 P C 0.004 177.312 177.300 0.014 0.000 1.209 88 P CA 0.951 64.062 63.100 0.018 0.000 0.776 88 P CB 0.316 32.022 31.700 0.010 0.000 0.876 89 G N -0.215 108.614 108.800 0.049 0.000 2.368 89 G HA2 0.358 4.316 3.960 -0.004 0.000 0.303 89 G HA3 0.358 4.316 3.960 -0.004 0.000 0.303 89 G C -0.291 174.702 174.900 0.154 0.000 1.590 89 G CA -0.033 45.102 45.100 0.059 0.000 0.938 89 G HN 0.478 8.768 8.290 -0.000 0.000 0.675 90 S N -1.601 114.214 115.700 0.191 0.000 2.817 90 S HA 0.599 5.067 4.470 -0.004 0.000 0.262 90 S C 0.429 175.293 174.600 0.439 0.000 1.051 90 S CA 0.879 59.269 58.200 0.318 0.000 1.185 90 S CB 1.004 64.323 63.200 0.199 0.000 1.152 90 S HN 1.593 9.903 8.310 -0.000 0.000 0.653 91 T N 0.708 115.459 114.554 0.329 0.000 2.868 91 T HA 0.692 5.040 4.350 -0.004 0.000 0.306 91 T C -1.897 172.942 174.700 0.232 0.000 1.224 91 T CA -0.454 61.862 62.100 0.360 0.000 1.012 91 T CB 0.913 69.935 68.868 0.256 0.000 1.221 91 T HN 0.057 8.297 8.240 -0.000 0.000 0.499 92 F N 2.204 122.057 119.950 -0.163 0.000 2.403 92 F HA 0.699 5.225 4.527 -0.003 0.000 0.326 92 F C 0.749 176.571 175.800 0.037 0.000 1.081 92 F CA -0.665 57.234 58.000 -0.169 0.000 1.041 92 F CB 1.420 40.279 39.000 -0.234 0.000 1.234 92 F HN 0.378 8.678 8.300 -0.000 0.000 0.503 93 Q N 0.418 120.330 119.800 0.187 0.000 2.456 93 Q HA 0.223 4.561 4.340 -0.004 0.000 0.284 93 Q C -0.958 175.010 176.000 -0.053 0.000 1.061 93 Q CA -1.172 54.726 55.803 0.158 0.000 0.799 93 Q CB 2.731 31.495 28.738 0.043 0.000 1.445 93 Q HN 0.557 8.827 8.270 -0.000 0.000 0.411 94 K N 0.474 120.715 120.400 -0.266 0.000 2.472 94 K HA 0.182 4.500 4.320 -0.004 0.000 0.280 94 K C 0.112 176.462 176.600 -0.417 0.000 1.028 94 K CA 0.636 56.385 56.287 -0.897 0.000 1.045 94 K CB 0.432 32.692 32.500 -0.400 0.000 0.902 94 K HN 0.710 8.960 8.250 -0.000 0.000 0.478 95 A N 5.508 128.080 122.820 -0.414 0.000 1.983 95 A HA 0.293 4.611 4.320 -0.004 0.000 0.207 95 A C 0.124 177.642 177.584 -0.110 0.000 1.412 95 A CA 0.096 52.023 52.037 -0.185 0.000 0.750 95 A CB 0.389 19.312 19.000 -0.130 0.000 1.047 95 A HN 0.633 8.783 8.150 -0.000 0.000 0.504 96 L N -0.034 121.130 121.223 -0.098 0.000 2.545 96 L HA 0.525 4.863 4.340 -0.004 0.000 0.258 96 L C -2.282 174.581 176.870 -0.013 0.000 0.942 96 L CA -0.801 54.019 54.840 -0.032 0.000 0.855 96 L CB 2.247 44.302 42.059 -0.006 0.000 1.374 96 L HN 0.370 8.600 8.230 -0.000 0.000 0.411 97 L N 5.350 126.580 121.223 0.012 0.000 2.325 97 L HA 0.570 4.908 4.340 -0.004 0.000 0.281 97 L C -1.025 175.877 176.870 0.054 0.000 1.004 97 L CA -0.187 54.676 54.840 0.039 0.000 0.823 97 L CB 1.422 43.505 42.059 0.039 0.000 1.236 97 L HN 0.320 8.550 8.230 -0.000 0.000 0.415 98 I N 4.246 124.857 120.570 0.069 0.000 2.306 98 I HA 0.294 4.462 4.170 -0.004 0.000 0.288 98 I C 0.184 176.380 176.117 0.132 0.000 1.036 98 I CA -0.053 61.312 61.300 0.108 0.000 1.221 98 I CB 0.835 38.923 38.000 0.146 0.000 1.385 98 I HN 0.667 8.877 8.210 -0.000 0.000 0.472 99 S N 8.443 124.205 115.700 0.103 0.000 2.130 99 S HA 0.417 4.884 4.470 -0.004 0.000 0.165 99 S C -1.621 172.976 174.600 -0.005 0.000 1.677 99 S CA -1.194 57.057 58.200 0.085 0.000 1.227 99 S CB 0.600 63.826 63.200 0.043 0.000 1.115 99 S HN 0.293 8.603 8.310 -0.000 0.000 0.452 100 P HA -0.113 4.307 4.420 -0.000 0.000 0.218 100 P C 0.928 178.035 177.300 -0.322 0.000 1.148 100 P CA 1.098 64.123 63.100 -0.126 0.000 0.822 100 P CB -0.015 31.501 31.700 -0.307 0.000 0.784 101 H N -1.315 117.684 119.070 -0.119 0.000 2.563 101 H HA 0.134 4.688 4.556 -0.004 0.000 0.272 101 H C 1.680 176.812 175.328 -0.327 0.000 1.005 101 H CA 0.492 56.364 56.048 -0.293 0.000 1.171 101 H CB -0.086 29.396 29.762 -0.467 0.000 1.351 101 H HN 0.051 8.331 8.280 -0.000 0.000 0.602 102 R N 0.429 120.698 120.500 -0.385 0.000 2.293 102 R HA -0.077 4.261 4.340 -0.004 0.000 0.219 102 R C 0.296 176.151 176.300 -0.741 0.000 1.091 102 R CA 0.583 56.305 56.100 -0.630 0.000 1.004 102 R CB -0.230 29.504 30.300 -0.943 0.000 0.865 102 R HN 0.292 8.562 8.270 -0.000 0.000 0.469 103 F N -2.275 117.620 119.950 -0.091 0.000 2.775 103 F HA 0.333 4.858 4.527 -0.004 0.000 0.313 103 F C 1.572 177.304 175.800 -0.114 0.000 1.121 103 F CA -0.469 57.477 58.000 -0.091 0.000 1.206 103 F CB 0.488 39.430 39.000 -0.096 0.000 1.052 103 F HN -0.132 8.168 8.300 -0.000 0.000 0.524 104 G N -0.249 108.523 108.800 -0.047 0.000 3.434 104 G HA2 0.154 4.112 3.960 -0.004 0.000 0.258 104 G HA3 0.154 4.112 3.960 -0.004 0.000 0.258 104 G C 0.143 174.984 174.900 -0.097 0.000 1.128 104 G CA -0.196 44.839 45.100 -0.109 0.000 0.792 104 G HN 0.156 8.446 8.290 -0.000 0.000 0.539 105 E N -0.269 119.908 120.200 -0.038 0.000 2.404 105 E HA 0.269 4.617 4.350 -0.004 0.000 0.261 105 E C 1.341 177.942 176.600 0.001 0.000 1.074 105 E CA 0.030 56.422 56.400 -0.013 0.000 0.917 105 E CB 0.658 30.362 29.700 0.006 0.000 0.965 105 E HN -0.048 8.312 8.360 -0.000 0.000 0.433 106 T N 1.776 116.341 114.554 0.019 0.000 2.759 106 T HA -0.138 4.210 4.350 -0.004 0.000 0.269 106 T C 1.294 176.005 174.700 0.019 0.000 1.042 106 T CA 1.042 63.158 62.100 0.026 0.000 1.140 106 T CB -0.000 68.892 68.868 0.041 0.000 0.864 106 T HN 0.213 8.453 8.240 -0.000 0.000 0.455 107 K N 1.079 121.491 120.400 0.019 0.000 2.504 107 K HA 0.167 4.485 4.320 -0.004 0.000 0.195 107 K C 1.273 177.883 176.600 0.018 0.000 1.036 107 K CA -0.020 56.277 56.287 0.017 0.000 0.984 107 K CB -0.604 31.907 32.500 0.018 0.000 0.788 107 K HN 0.413 8.663 8.250 -0.000 0.000 0.488 108 G N 0.587 109.399 108.800 0.021 0.000 2.543 108 G HA2 0.101 4.058 3.960 -0.004 0.000 0.290 108 G HA3 0.101 4.058 3.960 -0.004 0.000 0.290 108 G C 0.181 175.089 174.900 0.015 0.000 1.310 108 G CA -0.446 44.670 45.100 0.028 0.000 1.025 108 G HN 0.118 8.408 8.290 -0.000 0.000 0.502 109 N N -0.582 118.124 118.700 0.010 0.000 2.365 109 N HA 0.220 4.957 4.740 -0.004 0.000 0.257 109 N C -0.412 175.087 175.510 -0.018 0.000 1.287 109 N CA -0.159 52.888 53.050 -0.006 0.000 0.882 109 N CB 1.154 39.632 38.487 -0.014 0.000 1.250 109 N HN 0.250 8.630 8.380 -0.000 0.000 0.507 110 S N -0.125 115.570 115.700 -0.009 0.000 2.689 110 S HA 0.771 5.239 4.470 -0.004 0.000 0.306 110 S C -0.044 174.542 174.600 -0.023 0.000 1.104 110 S CA -0.702 57.482 58.200 -0.027 0.000 0.973 110 S CB 2.337 65.525 63.200 -0.020 0.000 1.121 110 S HN 0.189 8.499 8.310 -0.000 0.000 0.523 111 A N 2.480 125.278 122.820 -0.037 0.000 3.297 111 A HA 0.491 4.808 4.320 -0.004 0.000 0.304 111 A C -2.825 174.728 177.584 -0.053 0.000 0.963 111 A CA -1.417 50.603 52.037 -0.029 0.000 0.935 111 A CB -0.086 18.907 19.000 -0.012 0.000 1.093 111 A HN 0.472 8.622 8.150 -0.000 0.000 0.480 112 P HA 0.145 4.565 4.420 -0.000 0.000 0.268 112 P C -0.257 176.976 177.300 -0.110 0.000 1.204 112 P CA -0.065 62.926 63.100 -0.181 0.000 0.768 112 P CB 0.992 32.442 31.700 -0.417 0.000 0.842 113 L N 4.412 125.582 121.223 -0.088 0.000 2.426 113 L HA 0.158 4.496 4.340 -0.004 0.000 0.271 113 L C 0.881 177.813 176.870 0.103 0.000 1.169 113 L CA -0.287 54.551 54.840 -0.003 0.000 0.836 113 L CB -0.489 41.518 42.059 -0.086 0.000 1.112 113 L HN 0.323 8.553 8.230 -0.000 0.000 0.465 114 I N 5.464 126.148 120.570 0.190 0.000 2.452 114 I HA 0.178 4.346 4.170 -0.004 0.000 0.287 114 I C 0.147 176.401 176.117 0.230 0.000 1.079 114 I CA 0.030 61.489 61.300 0.265 0.000 1.387 114 I CB 0.314 38.486 38.000 0.287 0.000 1.404 114 I HN 0.513 8.723 8.210 -0.000 0.000 0.522 115 I N 4.774 125.474 120.570 0.218 0.000 3.191 115 I HA 0.726 4.894 4.170 -0.004 0.000 0.313 115 I C -0.689 175.512 176.117 0.140 0.000 1.193 115 I CA -0.720 60.669 61.300 0.149 0.000 0.968 115 I CB 2.130 40.158 38.000 0.046 0.000 1.262 115 I HN 0.433 8.643 8.210 -0.000 0.000 0.456 116 R N 0.396 120.967 120.500 0.119 0.000 2.781 116 R HA 0.459 4.796 4.340 -0.004 0.000 0.268 116 R C -1.119 175.251 176.300 0.117 0.000 1.047 116 R CA -0.921 55.227 56.100 0.080 0.000 0.925 116 R CB 1.569 31.918 30.300 0.082 0.000 1.246 116 R HN 0.810 9.080 8.270 -0.000 0.000 0.456 117 E N -0.105 120.177 120.200 0.136 0.000 2.320 117 E HA -0.146 4.202 4.350 -0.004 0.000 0.234 117 E C -2.501 174.271 176.600 0.286 0.000 1.183 117 E CA 0.467 57.029 56.400 0.269 0.000 0.713 117 E CB -1.236 28.642 29.700 0.296 0.000 1.226 117 E HN 0.272 8.632 8.360 -0.000 0.000 0.382 118 P HA 0.342 4.762 4.420 -0.000 0.000 0.274 118 P C -0.276 177.019 177.300 -0.007 0.000 1.231 118 P CA -0.141 63.051 63.100 0.154 0.000 0.790 118 P CB 0.519 32.392 31.700 0.289 0.000 0.951 119 F N -0.595 119.169 119.950 -0.309 0.000 2.779 119 F HA 0.737 5.261 4.527 -0.004 0.000 0.316 119 F C -1.729 173.869 175.800 -0.337 0.000 1.164 119 F CA -1.341 56.066 58.000 -0.988 0.000 0.924 119 F CB 0.861 39.444 39.000 -0.695 0.000 1.348 119 F HN 0.067 8.367 8.300 -0.000 0.000 0.467 120 I N 1.581 122.003 120.570 -0.246 0.000 2.647 120 I HA 0.802 4.970 4.170 -0.004 0.000 0.295 120 I C -0.875 175.339 176.117 0.163 0.000 1.078 120 I CA -1.113 60.058 61.300 -0.215 0.000 1.048 120 I CB 2.091 39.564 38.000 -0.879 0.000 1.239 120 I HN 1.012 9.222 8.210 -0.000 0.000 0.421 121 A N 4.358 127.401 122.820 0.372 0.000 2.486 121 A HA 0.834 5.152 4.320 -0.004 0.000 0.300 121 A C -1.370 176.566 177.584 0.588 0.000 1.048 121 A CA -0.435 51.940 52.037 0.563 0.000 0.696 121 A CB 1.532 20.997 19.000 0.775 0.000 1.278 121 A HN 0.746 8.896 8.150 -0.000 0.000 0.405 122 c N 0.771 119.638 118.600 0.444 0.000 2.561 122 c HA 0.911 5.479 4.570 -0.004 0.000 0.319 122 c C 1.119 175.240 174.090 0.052 0.000 1.198 122 c CA -0.106 56.418 56.329 0.326 0.000 1.665 122 c CB 1.324 43.993 42.510 0.264 0.000 2.258 122 c HN 1.202 9.432 8.230 -0.000 0.000 0.493 123 G N 1.266 109.962 108.800 -0.174 0.000 2.671 123 G HA2 0.562 4.520 3.960 -0.004 0.000 0.275 123 G HA3 0.562 4.520 3.960 -0.004 0.000 0.275 123 G C -2.040 172.719 174.900 -0.236 0.000 1.368 123 G CA -0.645 44.134 45.100 -0.535 0.000 1.044 123 G HN 0.444 8.734 8.290 -0.000 0.000 0.543 124 P HA 0.032 4.452 4.420 -0.000 0.000 0.223 124 P C 1.324 178.590 177.300 -0.058 0.000 1.151 124 P CA 1.343 64.389 63.100 -0.089 0.000 0.787 124 P CB 0.212 31.876 31.700 -0.059 0.000 0.788 125 K N -1.716 118.638 120.400 -0.077 0.000 2.335 125 K HA 0.198 4.516 4.320 -0.004 0.000 0.195 125 K C 0.672 177.282 176.600 0.017 0.000 1.058 125 K CA 0.172 56.447 56.287 -0.020 0.000 0.988 125 K CB 0.692 33.185 32.500 -0.011 0.000 0.880 125 K HN -0.085 8.165 8.250 -0.000 0.000 0.513 126 E N 0.197 120.422 120.200 0.041 0.000 2.352 126 E HA 0.285 4.632 4.350 -0.004 0.000 0.280 126 E C -1.633 175.073 176.600 0.177 0.000 0.930 126 E CA -0.938 55.523 56.400 0.102 0.000 0.765 126 E CB 2.259 32.042 29.700 0.139 0.000 1.219 126 E HN 0.225 8.585 8.360 -0.000 0.000 0.434 127 c N 2.743 121.429 118.600 0.144 0.000 2.376 127 c HA 0.534 5.102 4.570 -0.004 0.000 0.335 127 c C -0.244 173.877 174.090 0.052 0.000 1.229 127 c CA -0.677 55.754 56.329 0.169 0.000 1.867 127 c CB 0.578 43.162 42.510 0.124 0.000 2.319 127 c HN 0.502 8.732 8.230 -0.000 0.000 0.515 128 K N 1.269 121.668 120.400 -0.002 0.000 2.221 128 K HA 0.327 4.644 4.320 -0.004 0.000 0.258 128 K C -0.598 175.739 176.600 -0.440 0.000 0.944 128 K CA -0.346 55.705 56.287 -0.393 0.000 0.823 128 K CB 1.368 33.314 32.500 -0.924 0.000 1.113 128 K HN 0.827 9.077 8.250 -0.000 0.000 0.431 129 H N 3.982 122.695 119.070 -0.594 0.000 2.690 129 H HA 0.216 4.770 4.556 -0.004 0.000 0.289 129 H C -0.970 173.949 175.328 -0.682 0.000 1.089 129 H CA -0.709 55.041 56.048 -0.497 0.000 1.299 129 H CB 0.254 29.839 29.762 -0.295 0.000 1.405 129 H HN 0.345 8.625 8.280 -0.000 0.000 0.463 130 F N 3.010 122.638 119.950 -0.537 0.000 2.380 130 F HA 0.627 5.152 4.527 -0.004 0.000 0.321 130 F C 0.438 175.903 175.800 -0.557 0.000 1.103 130 F CA -0.063 57.514 58.000 -0.706 0.000 1.067 130 F CB 1.651 39.889 39.000 -1.271 0.000 1.265 130 F HN 0.626 8.926 8.300 -0.000 0.000 0.517 131 A N 0.835 123.561 122.820 -0.156 0.000 2.566 131 A HA 0.682 5.000 4.320 -0.004 0.000 0.290 131 A C -2.063 175.519 177.584 -0.003 0.000 1.071 131 A CA -0.829 51.169 52.037 -0.065 0.000 0.658 131 A CB 0.951 19.863 19.000 -0.147 0.000 1.285 131 A HN 0.649 8.799 8.150 -0.000 0.000 0.427 132 L N 1.724 122.975 121.223 0.048 0.000 2.277 132 L HA 0.486 4.824 4.340 -0.004 0.000 0.284 132 L C 0.575 177.445 176.870 0.001 0.000 1.028 132 L CA -0.366 54.501 54.840 0.045 0.000 0.835 132 L CB 1.457 43.575 42.059 0.099 0.000 1.215 132 L HN 0.826 9.056 8.230 -0.000 0.000 0.425 133 T N 0.427 114.959 114.554 -0.036 0.000 2.899 133 T HA 0.160 4.508 4.350 -0.004 0.000 0.284 133 T C 0.865 175.588 174.700 0.038 0.000 1.004 133 T CA -0.265 61.830 62.100 -0.008 0.000 1.043 133 T CB 0.567 69.359 68.868 -0.126 0.000 1.013 133 T HN 0.500 8.740 8.240 -0.000 0.000 0.518 134 H N 3.004 122.187 119.070 0.189 0.000 2.538 134 H HA 0.070 4.624 4.556 -0.004 0.000 0.286 134 H C -0.234 175.287 175.328 0.320 0.000 1.035 134 H CA 0.074 56.272 56.048 0.250 0.000 1.169 134 H CB -0.273 29.628 29.762 0.230 0.000 1.417 134 H HN 0.810 9.090 8.280 -0.000 0.000 0.567 135 Y N -0.063 120.385 120.300 0.247 0.000 3.389 135 Y HA -0.247 4.300 4.550 -0.004 0.000 0.213 135 Y C -0.249 175.752 175.900 0.168 0.000 1.272 135 Y CA 0.330 58.565 58.100 0.225 0.000 1.444 135 Y CB -1.410 37.141 38.460 0.152 0.000 1.445 135 Y HN 0.404 8.684 8.280 -0.000 0.000 0.583 136 A N -0.159 122.860 122.820 0.331 0.000 2.587 136 A HA 0.996 5.314 4.320 -0.004 0.000 0.293 136 A C -0.914 176.827 177.584 0.262 0.000 1.087 136 A CA -0.234 51.995 52.037 0.321 0.000 0.692 136 A CB 1.191 20.424 19.000 0.388 0.000 1.291 136 A HN 1.203 9.353 8.150 -0.000 0.000 0.407 137 A N 0.253 123.220 122.820 0.245 0.000 2.350 137 A HA 0.806 5.124 4.320 -0.004 0.000 0.318 137 A C -0.552 177.146 177.584 0.190 0.000 1.132 137 A CA -0.567 51.570 52.037 0.167 0.000 0.811 137 A CB 1.434 20.497 19.000 0.106 0.000 1.313 137 A HN 0.876 9.026 8.150 -0.000 0.000 0.454 138 Q N 1.307 121.144 119.800 0.061 0.000 2.322 138 Q HA 0.467 4.804 4.340 -0.004 0.000 0.265 138 Q C -2.643 173.323 176.000 -0.057 0.000 0.985 138 Q CA -2.183 53.590 55.803 -0.050 0.000 0.849 138 Q CB 2.084 30.513 28.738 -0.515 0.000 1.274 138 Q HN 0.521 8.791 8.270 -0.000 0.000 0.449 139 P HA 0.359 4.779 4.420 -0.000 0.000 0.274 139 P C -0.547 176.808 177.300 0.092 0.000 1.231 139 P CA 0.113 63.261 63.100 0.080 0.000 0.790 139 P CB 1.213 32.940 31.700 0.045 0.000 0.951 140 G N -0.623 108.207 108.800 0.051 0.000 2.451 140 G HA2 0.455 4.412 3.960 -0.004 0.000 0.292 140 G HA3 0.455 4.412 3.960 -0.004 0.000 0.292 140 G C -0.042 174.565 174.900 -0.489 0.000 1.427 140 G CA -0.174 44.869 45.100 -0.096 0.000 0.792 140 G HN 0.463 8.753 8.290 -0.000 0.000 0.498 141 G N -1.491 107.027 108.800 -0.470 0.000 3.126 141 G HA2 0.341 4.298 3.960 -0.004 0.000 0.224 141 G HA3 0.341 4.298 3.960 -0.004 0.000 0.224 141 G C -0.036 174.404 174.900 -0.767 0.000 1.142 141 G CA 0.204 44.889 45.100 -0.692 0.000 0.759 141 G HN 0.374 8.664 8.290 -0.000 0.000 0.550 142 Y N 0.229 120.417 120.300 -0.187 0.000 2.736 142 Y HA 0.342 4.890 4.550 -0.004 0.000 0.293 142 Y C 0.964 176.957 175.900 0.156 0.000 1.062 142 Y CA -1.426 56.676 58.100 0.002 0.000 1.247 142 Y CB 0.093 38.600 38.460 0.078 0.000 1.200 142 Y HN 0.113 8.393 8.280 -0.000 0.000 0.552 143 Y N -0.861 119.534 120.300 0.159 0.000 2.373 143 Y HA -0.125 4.423 4.550 -0.004 0.000 0.293 143 Y C 1.212 177.170 175.900 0.097 0.000 1.129 143 Y CA -0.262 57.931 58.100 0.156 0.000 1.226 143 Y CB -0.612 37.951 38.460 0.172 0.000 1.000 143 Y HN 0.204 8.484 8.280 -0.000 0.000 0.549 144 N N 0.422 119.258 118.700 0.227 0.000 2.468 144 N HA 0.276 5.013 4.740 -0.004 0.000 0.265 144 N C 1.047 176.618 175.510 0.102 0.000 1.199 144 N CA 1.365 54.494 53.050 0.132 0.000 0.928 144 N CB 0.429 38.972 38.487 0.094 0.000 1.059 144 N HN 0.490 8.870 8.380 -0.000 0.000 0.467 145 G N 1.835 110.656 108.800 0.035 0.000 2.194 145 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.236 145 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.236 145 G C 1.011 175.808 174.900 -0.170 0.000 0.987 145 G CA 0.413 45.509 45.100 -0.006 0.000 0.635 145 G HN 0.591 8.881 8.290 -0.000 0.000 0.520 146 T N -0.428 114.005 114.554 -0.201 0.000 3.055 146 T HA 0.090 4.438 4.350 -0.004 0.000 0.265 146 T C 2.141 176.625 174.700 -0.360 0.000 1.111 146 T CA 1.483 63.293 62.100 -0.484 0.000 1.118 146 T CB -0.087 68.743 68.868 -0.064 0.000 0.909 146 T HN 0.424 8.664 8.240 -0.000 0.000 0.501 147 R N 0.356 120.713 120.500 -0.238 0.000 2.200 147 R HA 0.145 4.483 4.340 -0.004 0.000 0.208 147 R C 1.306 177.518 176.300 -0.147 0.000 1.033 147 R CA 0.086 55.972 56.100 -0.357 0.000 1.000 147 R CB -0.143 29.863 30.300 -0.491 0.000 0.906 147 R HN 0.314 8.584 8.270 -0.000 0.000 0.462 148 G N -0.285 108.469 108.800 -0.077 0.000 2.664 148 G HA2 -0.078 3.880 3.960 -0.004 0.000 0.242 148 G HA3 -0.078 3.880 3.960 -0.004 0.000 0.242 148 G C -0.218 174.789 174.900 0.177 0.000 1.225 148 G CA -0.454 44.670 45.100 0.041 0.000 0.849 148 G HN 0.162 8.452 8.290 -0.000 0.000 0.581 149 D N -0.261 120.198 120.400 0.098 0.000 2.277 149 D HA 0.059 4.697 4.640 -0.004 0.000 0.209 149 D C 0.978 177.292 176.300 0.024 0.000 0.970 149 D CA 0.871 54.926 54.000 0.092 0.000 0.874 149 D CB 0.446 41.256 40.800 0.016 0.000 0.982 149 D HN 0.300 8.670 8.370 -0.000 0.000 0.504 150 R N 0.458 120.903 120.500 -0.092 0.000 2.564 150 R HA 0.421 4.758 4.340 -0.004 0.000 0.284 150 R C -0.977 175.250 176.300 -0.122 0.000 1.031 150 R CA -0.661 55.240 56.100 -0.333 0.000 0.904 150 R CB 1.909 31.628 30.300 -0.969 0.000 1.199 150 R HN 0.066 8.336 8.270 -0.000 0.000 0.443 151 N N -0.533 118.193 118.700 0.044 0.000 3.179 151 N HA 0.141 4.879 4.740 -0.004 0.000 0.250 151 N C -0.642 175.008 175.510 0.234 0.000 1.507 151 N CA -1.028 52.100 53.050 0.129 0.000 0.883 151 N CB 0.858 39.440 38.487 0.158 0.000 1.435 151 N HN 0.266 8.646 8.380 -0.000 0.000 0.532 152 K N -0.344 120.163 120.400 0.179 0.000 2.487 152 K HA 0.296 4.614 4.320 -0.004 0.000 0.192 152 K C 0.620 177.323 176.600 0.171 0.000 1.027 152 K CA 0.459 56.846 56.287 0.167 0.000 1.054 152 K CB -0.162 32.403 32.500 0.108 0.000 0.824 152 K HN 0.406 8.656 8.250 -0.000 0.000 0.510 153 L N -0.002 121.343 121.223 0.203 0.000 2.463 153 L HA 0.118 4.456 4.340 -0.004 0.000 0.219 153 L C 0.943 178.103 176.870 0.483 0.000 1.088 153 L CA -0.215 54.786 54.840 0.267 0.000 0.849 153 L CB 0.167 42.332 42.059 0.177 0.000 1.012 153 L HN 0.013 8.243 8.230 -0.000 0.000 0.468 154 R N 0.162 120.852 120.500 0.317 0.000 2.522 154 R HA 0.079 4.416 4.340 -0.004 0.000 0.284 154 R C -0.984 175.464 176.300 0.246 0.000 1.032 154 R CA 0.377 56.617 56.100 0.233 0.000 1.049 154 R CB 0.175 30.542 30.300 0.111 0.000 0.956 154 R HN 0.062 8.332 8.270 -0.000 0.000 0.422 155 H N 2.011 121.168 119.070 0.145 0.000 2.768 155 H HA 0.290 4.843 4.556 -0.004 0.000 0.371 155 H C -1.154 174.180 175.328 0.011 0.000 1.151 155 H CA -0.815 55.309 56.048 0.125 0.000 1.165 155 H CB 1.513 31.418 29.762 0.238 0.000 1.722 155 H HN 0.381 8.661 8.280 -0.000 0.000 0.543 156 L N 3.870 125.159 121.223 0.111 0.000 2.319 156 L HA 0.399 4.737 4.340 -0.004 0.000 0.280 156 L C -0.831 176.068 176.870 0.048 0.000 1.099 156 L CA -0.082 54.815 54.840 0.096 0.000 0.828 156 L CB -0.419 41.719 42.059 0.131 0.000 1.150 156 L HN 0.604 8.834 8.230 -0.000 0.000 0.442 157 I N 2.098 122.627 120.570 -0.068 0.000 2.892 157 I HA 0.936 5.104 4.170 -0.004 0.000 0.306 157 I C -0.408 175.603 176.117 -0.176 0.000 1.078 157 I CA -0.421 60.719 61.300 -0.266 0.000 1.032 157 I CB 2.207 39.797 38.000 -0.684 0.000 1.229 157 I HN 0.626 8.836 8.210 -0.000 0.000 0.435 158 S N 2.399 117.909 115.700 -0.316 0.000 2.588 158 S HA 0.936 5.403 4.470 -0.004 0.000 0.275 158 S C -0.672 173.656 174.600 -0.453 0.000 1.130 158 S CA -0.362 57.515 58.200 -0.537 0.000 0.855 158 S CB 1.642 64.279 63.200 -0.940 0.000 1.116 158 S HN 1.580 9.890 8.310 -0.000 0.000 0.472 159 V N -1.166 118.481 119.914 -0.444 0.000 3.074 159 V HA 0.694 4.812 4.120 -0.004 0.000 0.314 159 V C -0.187 175.734 176.094 -0.289 0.000 1.117 159 V CA -1.341 60.776 62.300 -0.305 0.000 1.014 159 V CB 1.406 33.094 31.823 -0.225 0.000 1.057 159 V HN 1.232 9.422 8.190 -0.000 0.000 0.438 160 K N 1.606 121.886 120.400 -0.200 0.000 2.489 160 K HA 0.202 4.520 4.320 -0.004 0.000 0.278 160 K C -0.289 176.253 176.600 -0.096 0.000 1.000 160 K CA -0.425 55.776 56.287 -0.142 0.000 1.012 160 K CB 0.604 33.052 32.500 -0.087 0.000 0.903 160 K HN 0.779 9.029 8.250 -0.000 0.000 0.485 161 L N 4.785 125.963 121.223 -0.075 0.000 2.540 161 L HA 0.128 4.465 4.340 -0.004 0.000 0.276 161 L C 1.037 177.893 176.870 -0.024 0.000 1.212 161 L CA 2.136 56.948 54.840 -0.046 0.000 0.893 161 L CB 0.427 42.449 42.059 -0.062 0.000 1.138 161 L HN 1.001 9.231 8.230 -0.000 0.000 0.491 162 G N 2.578 111.373 108.800 -0.009 0.000 2.238 162 G HA2 -0.187 3.771 3.960 -0.004 0.000 0.217 162 G HA3 -0.187 3.771 3.960 -0.004 0.000 0.217 162 G C 0.185 175.083 174.900 -0.003 0.000 0.996 162 G CA -0.153 44.946 45.100 -0.002 0.000 0.632 162 G HN 0.548 8.838 8.290 -0.000 0.000 0.503 163 K N 1.137 121.527 120.400 -0.016 0.000 2.174 163 K HA 0.535 4.853 4.320 -0.004 0.000 0.275 163 K C 0.592 177.180 176.600 -0.021 0.000 1.015 163 K CA -0.790 55.475 56.287 -0.037 0.000 0.933 163 K CB 1.322 33.779 32.500 -0.071 0.000 1.025 163 K HN 0.180 8.430 8.250 -0.000 0.000 0.463 164 I N 4.380 124.927 120.570 -0.038 0.000 2.452 164 I HA 0.075 4.243 4.170 -0.004 0.000 0.287 164 I C -2.003 174.062 176.117 -0.086 0.000 1.079 164 I CA -2.646 58.636 61.300 -0.029 0.000 1.387 164 I CB 0.067 38.047 38.000 -0.033 0.000 1.404 164 I HN 0.110 8.320 8.210 -0.000 0.000 0.522 165 P HA 0.128 4.548 4.420 -0.000 0.000 0.268 165 P C -0.089 177.113 177.300 -0.164 0.000 1.485 165 P CA -0.058 62.930 63.100 -0.187 0.000 1.102 165 P CB -0.072 31.459 31.700 -0.280 0.000 1.501 166 T N -1.803 112.670 114.554 -0.135 0.000 2.937 166 T HA 0.263 4.611 4.350 -0.004 0.000 0.283 166 T C 1.332 175.990 174.700 -0.069 0.000 1.012 166 T CA -0.756 61.283 62.100 -0.102 0.000 0.997 166 T CB 0.460 69.272 68.868 -0.093 0.000 1.136 166 T HN -0.092 8.148 8.240 -0.000 0.000 0.551 167 V N 0.904 120.805 119.914 -0.021 0.000 2.370 167 V HA -0.184 3.934 4.120 -0.004 0.000 0.252 167 V C 2.602 178.716 176.094 0.032 0.000 1.068 167 V CA 2.207 64.531 62.300 0.041 0.000 1.061 167 V CB -0.906 30.934 31.823 0.030 0.000 0.656 167 V HN 0.924 9.114 8.190 -0.000 0.000 0.455 168 E N -0.806 119.382 120.200 -0.019 0.000 2.216 168 E HA -0.055 4.293 4.350 -0.004 0.000 0.192 168 E C 1.985 178.555 176.600 -0.050 0.000 0.973 168 E CA 0.404 56.785 56.400 -0.032 0.000 0.851 168 E CB -0.082 29.591 29.700 -0.044 0.000 0.804 168 E HN 0.530 8.890 8.360 -0.000 0.000 0.477 169 N N 0.762 119.417 118.700 -0.074 0.000 2.270 169 N HA -0.030 4.708 4.740 -0.004 0.000 0.181 169 N C 0.347 175.783 175.510 -0.124 0.000 1.016 169 N CA 0.450 53.441 53.050 -0.098 0.000 0.870 169 N CB 0.038 38.458 38.487 -0.112 0.000 0.979 169 N HN -0.100 8.280 8.380 -0.000 0.000 0.431 170 S N 0.560 116.184 115.700 -0.128 0.000 2.576 170 S HA 0.235 4.703 4.470 -0.004 0.000 0.276 170 S C 0.298 174.812 174.600 -0.144 0.000 1.339 170 S CA -0.441 57.634 58.200 -0.208 0.000 1.039 170 S CB 1.244 64.250 63.200 -0.324 0.000 0.902 170 S HN 0.174 8.484 8.310 -0.000 0.000 0.516 171 I N 2.099 122.504 120.570 -0.274 0.000 2.404 171 I HA 0.444 4.611 4.170 -0.004 0.000 0.293 171 I C -1.357 174.521 176.117 -0.398 0.000 0.992 171 I CA -0.955 60.187 61.300 -0.264 0.000 1.149 171 I CB 0.678 38.434 38.000 -0.407 0.000 1.315 171 I HN 0.499 8.709 8.210 -0.000 0.000 0.446 172 F N 7.008 126.732 119.950 -0.377 0.000 2.390 172 F HA 0.283 4.807 4.527 -0.004 0.000 0.361 172 F C 1.386 177.042 175.800 -0.240 0.000 1.124 172 F CA -0.321 57.524 58.000 -0.258 0.000 1.149 172 F CB 0.444 39.320 39.000 -0.207 0.000 1.160 172 F HN 0.569 8.869 8.300 -0.000 0.000 0.501 173 H N 3.715 122.791 119.070 0.010 0.000 2.317 173 H HA 0.100 4.654 4.556 -0.004 0.000 0.304 173 H C 0.508 175.901 175.328 0.109 0.000 1.067 173 H CA 1.416 57.413 56.048 -0.086 0.000 1.352 173 H CB 0.323 29.887 29.762 -0.330 0.000 1.398 173 H HN 0.561 8.841 8.280 -0.000 0.000 0.510 174 M N -1.840 117.946 119.600 0.309 0.000 2.605 174 M HA 0.563 5.041 4.480 -0.004 0.000 0.281 174 M C -1.514 174.804 176.300 0.029 0.000 1.166 174 M CA -0.922 54.545 55.300 0.278 0.000 0.875 174 M CB 2.228 35.011 32.600 0.304 0.000 1.732 174 M HN -0.081 8.209 8.290 -0.000 0.000 0.504 175 A N 1.981 124.655 122.820 -0.243 0.000 2.545 175 A HA 0.613 4.930 4.320 -0.004 0.000 0.253 175 A C 0.123 177.511 177.584 -0.326 0.000 1.074 175 A CA 0.659 52.295 52.037 -0.669 0.000 0.760 175 A CB -0.916 17.852 19.000 -0.388 0.000 1.005 175 A HN 1.774 9.924 8.150 -0.000 0.000 0.506 176 A N 3.247 125.902 122.820 -0.274 0.000 2.555 176 A HA 0.605 4.923 4.320 -0.004 0.000 0.297 176 A C -0.029 177.526 177.584 -0.047 0.000 1.060 176 A CA -0.262 51.647 52.037 -0.212 0.000 0.710 176 A CB 0.595 19.531 19.000 -0.107 0.000 1.282 176 A HN 1.500 9.650 8.150 -0.000 0.000 0.399 177 W N 1.114 122.414 121.300 -0.001 0.000 2.870 177 W HA 0.519 5.177 4.660 -0.003 0.000 0.358 177 W C 0.001 176.546 176.519 0.042 0.000 1.043 177 W CA 0.334 57.687 57.345 0.012 0.000 1.692 177 W CB 0.229 29.699 29.460 0.016 0.000 1.100 177 W HN 0.752 8.932 8.180 -0.000 0.000 0.557 178 S N 0.504 116.333 115.700 0.215 0.000 2.548 178 S HA 0.745 5.213 4.470 -0.004 0.000 0.276 178 S C -0.517 174.106 174.600 0.038 0.000 1.129 178 S CA -0.072 58.243 58.200 0.193 0.000 0.931 178 S CB 1.586 64.936 63.200 0.249 0.000 1.068 178 S HN 0.279 8.589 8.310 -0.000 0.000 0.480 179 G N 1.080 109.917 108.800 0.061 0.000 2.725 179 G HA2 0.787 4.745 3.960 -0.004 0.000 0.288 179 G HA3 0.787 4.745 3.960 -0.004 0.000 0.288 179 G C -1.228 173.605 174.900 -0.111 0.000 1.399 179 G CA -0.453 44.662 45.100 0.024 0.000 0.859 179 G HN 0.981 9.271 8.290 -0.000 0.000 0.479 180 S N -1.945 113.673 115.700 -0.136 0.000 2.595 180 S HA 0.882 5.350 4.470 -0.004 0.000 0.270 180 S C -1.141 173.376 174.600 -0.138 0.000 1.145 180 S CA 0.431 58.408 58.200 -0.370 0.000 0.825 180 S CB 1.368 64.381 63.200 -0.312 0.000 1.107 180 S HN 2.350 10.660 8.310 -0.000 0.000 0.461 181 A N 0.544 123.284 122.820 -0.134 0.000 2.601 181 A HA 0.874 5.192 4.320 -0.004 0.000 0.291 181 A C -0.999 176.652 177.584 0.111 0.000 1.075 181 A CA -0.162 51.824 52.037 -0.086 0.000 0.671 181 A CB 0.568 19.262 19.000 -0.510 0.000 1.277 181 A HN 2.275 10.425 8.150 -0.000 0.000 0.417 182 c N -0.344 118.364 118.600 0.180 0.000 3.292 182 c HA 0.761 5.329 4.570 -0.004 0.000 0.368 182 c C -0.958 173.122 174.090 -0.017 0.000 1.141 182 c CA -0.746 55.680 56.329 0.160 0.000 1.194 182 c CB 0.694 43.251 42.510 0.078 0.000 1.533 182 c HN 1.170 9.400 8.230 -0.000 0.000 0.532 183 H N 1.457 120.298 119.070 -0.381 0.000 2.472 183 H HA 0.418 4.971 4.556 -0.004 0.000 0.338 183 H C -0.215 174.956 175.328 -0.262 0.000 1.133 183 H CA 0.476 56.129 56.048 -0.658 0.000 1.216 183 H CB 2.127 31.125 29.762 -1.273 0.000 1.497 183 H HN 0.953 9.233 8.280 -0.000 0.000 0.500 184 D N 1.858 122.085 120.400 -0.288 0.000 2.363 184 D HA 0.142 4.779 4.640 -0.004 0.000 0.214 184 D C 1.415 177.809 176.300 0.157 0.000 1.093 184 D CA 0.504 54.505 54.000 0.002 0.000 0.837 184 D CB 0.522 41.373 40.800 0.085 0.000 0.948 184 D HN 0.870 9.240 8.370 -0.000 0.000 0.507 185 G N 0.466 109.355 108.800 0.149 0.000 2.254 185 G HA2 -0.312 3.646 3.960 -0.004 0.000 0.225 185 G HA3 -0.312 3.646 3.960 -0.004 0.000 0.225 185 G C 1.167 176.127 174.900 0.099 0.000 1.003 185 G CA 0.289 45.501 45.100 0.185 0.000 0.622 185 G HN 0.406 8.696 8.290 -0.000 0.000 0.507 186 K N -0.359 119.992 120.400 -0.082 0.000 2.344 186 K HA 0.420 4.738 4.320 -0.004 0.000 0.200 186 K C 0.545 176.976 176.600 -0.281 0.000 1.132 186 K CA 0.852 57.052 56.287 -0.144 0.000 0.935 186 K CB 0.855 33.247 32.500 -0.179 0.000 1.089 186 K HN 0.284 8.534 8.250 -0.000 0.000 0.496 187 E N -0.654 119.157 120.200 -0.649 0.000 2.407 187 E HA 0.197 4.545 4.350 -0.004 0.000 0.279 187 E C -1.987 174.039 176.600 -0.956 0.000 1.012 187 E CA -0.694 55.268 56.400 -0.731 0.000 0.800 187 E CB 0.636 29.822 29.700 -0.857 0.000 1.276 187 E HN -0.008 8.352 8.360 -0.000 0.000 0.452 188 W N 1.582 122.527 121.300 -0.592 0.000 2.287 188 W HA 0.438 5.096 4.660 -0.004 0.000 0.313 188 W C -0.024 176.093 176.519 -0.671 0.000 1.267 188 W CA -0.163 56.854 57.345 -0.546 0.000 1.201 188 W CB 1.613 30.755 29.460 -0.531 0.000 1.196 188 W HN 0.189 8.369 8.180 -0.000 0.000 0.536 189 T N 3.900 118.311 114.554 -0.239 0.000 2.767 189 T HA 0.355 4.703 4.350 -0.004 0.000 0.284 189 T C -1.107 173.385 174.700 -0.347 0.000 0.973 189 T CA -0.408 61.605 62.100 -0.145 0.000 0.996 189 T CB 0.252 69.133 68.868 0.022 0.000 0.927 189 T HN 0.053 8.293 8.240 -0.000 0.000 0.456 190 Y N 2.101 122.429 120.300 0.047 0.000 2.377 190 Y HA 0.653 5.201 4.550 -0.004 0.000 0.339 190 Y C -0.170 175.706 175.900 -0.040 0.000 1.011 190 Y CA -1.474 56.590 58.100 -0.060 0.000 1.093 190 Y CB 0.880 39.255 38.460 -0.142 0.000 1.201 190 Y HN 0.430 8.710 8.280 -0.000 0.000 0.455 191 I N 2.478 123.091 120.570 0.072 0.000 2.389 191 I HA 0.690 4.858 4.170 -0.004 0.000 0.288 191 I C 0.201 176.321 176.117 0.004 0.000 0.999 191 I CA -0.285 61.024 61.300 0.015 0.000 1.129 191 I CB 1.897 39.868 38.000 -0.049 0.000 1.288 191 I HN 0.763 8.973 8.210 -0.000 0.000 0.444 192 G N 5.204 113.997 108.800 -0.012 0.000 2.687 192 G HA2 0.647 4.605 3.960 -0.004 0.000 0.301 192 G HA3 0.647 4.605 3.960 -0.004 0.000 0.301 192 G C -1.458 173.333 174.900 -0.183 0.000 1.416 192 G CA -0.548 44.507 45.100 -0.075 0.000 1.005 192 G HN 0.300 8.590 8.290 -0.000 0.000 0.509 193 V N 3.137 122.852 119.914 -0.331 0.000 2.370 193 V HA 0.575 4.692 4.120 -0.004 0.000 0.283 193 V C -0.452 174.961 176.094 -1.135 0.000 1.023 193 V CA -0.646 61.301 62.300 -0.588 0.000 0.857 193 V CB 1.078 32.545 31.823 -0.592 0.000 0.985 193 V HN 0.956 9.146 8.190 -0.000 0.000 0.443 194 D N 2.817 122.664 120.400 -0.921 0.000 2.837 194 D HA 0.830 5.468 4.640 -0.004 0.000 0.294 194 D C 0.124 176.239 176.300 -0.309 0.000 1.158 194 D CA -0.054 53.347 54.000 -0.999 0.000 1.073 194 D CB 1.624 42.141 40.800 -0.472 0.000 1.419 194 D HN 1.146 9.516 8.370 -0.000 0.000 0.584 195 G N -1.001 107.873 108.800 0.123 0.000 2.525 195 G HA2 0.153 4.110 3.960 -0.004 0.000 0.685 195 G HA3 0.153 4.110 3.960 -0.004 0.000 0.685 195 G C -2.991 172.140 174.900 0.385 0.000 1.290 195 G CA -0.532 44.693 45.100 0.209 0.000 0.915 195 G HN 0.669 8.959 8.290 -0.000 0.000 0.548 196 P HA 0.339 4.759 4.420 -0.000 0.000 0.274 196 P C 0.294 177.707 177.300 0.187 0.000 1.231 196 P CA -0.261 62.944 63.100 0.174 0.000 0.790 196 P CB 0.621 32.383 31.700 0.103 0.000 0.951 197 D N 0.641 121.092 120.400 0.084 0.000 2.158 197 D HA -0.192 4.446 4.640 -0.004 0.000 0.197 197 D C 1.353 177.688 176.300 0.059 0.000 0.995 197 D CA 1.725 55.746 54.000 0.036 0.000 0.846 197 D CB -0.660 40.110 40.800 -0.049 0.000 0.941 197 D HN 0.657 9.027 8.370 -0.000 0.000 0.456 198 N N -0.895 117.835 118.700 0.049 0.000 2.461 198 N HA -0.090 4.648 4.740 -0.004 0.000 0.188 198 N C 0.265 175.804 175.510 0.048 0.000 1.134 198 N CA 0.130 53.201 53.050 0.036 0.000 0.878 198 N CB 0.237 38.737 38.487 0.021 0.000 0.972 198 N HN -0.119 8.261 8.380 -0.000 0.000 0.456 199 N N 0.226 118.975 118.700 0.082 0.000 2.658 199 N HA 0.210 4.948 4.740 -0.004 0.000 0.238 199 N C -1.299 174.284 175.510 0.123 0.000 1.495 199 N CA -0.247 52.855 53.050 0.087 0.000 0.883 199 N CB 0.675 39.203 38.487 0.068 0.000 1.463 199 N HN 0.358 8.738 8.380 -0.000 0.000 0.531 200 A N 0.382 123.296 122.820 0.156 0.000 2.327 200 A HA 0.646 4.964 4.320 -0.004 0.000 0.255 200 A C -0.396 177.221 177.584 0.055 0.000 1.099 200 A CA -0.154 51.986 52.037 0.173 0.000 0.801 200 A CB 0.447 19.650 19.000 0.339 0.000 1.062 200 A HN 0.455 8.605 8.150 -0.000 0.000 0.496 201 L N 0.297 121.484 121.223 -0.060 0.000 2.438 201 L HA 0.580 4.918 4.340 -0.004 0.000 0.270 201 L C -1.027 175.750 176.870 -0.155 0.000 0.972 201 L CA -0.330 54.448 54.840 -0.103 0.000 0.831 201 L CB 1.743 43.740 42.059 -0.102 0.000 1.273 201 L HN 0.719 8.949 8.230 -0.000 0.000 0.405 202 L N 5.217 126.386 121.223 -0.090 0.000 2.290 202 L HA 0.516 4.854 4.340 -0.004 0.000 0.284 202 L C -0.821 176.016 176.870 -0.055 0.000 1.078 202 L CA -0.114 54.685 54.840 -0.068 0.000 0.815 202 L CB 0.350 42.421 42.059 0.021 0.000 1.162 202 L HN 0.653 8.883 8.230 -0.000 0.000 0.435 203 K N 6.457 126.827 120.400 -0.049 0.000 2.259 203 K HA 0.616 4.934 4.320 -0.004 0.000 0.252 203 K C -1.250 175.385 176.600 0.058 0.000 0.936 203 K CA -0.633 55.663 56.287 0.014 0.000 0.810 203 K CB 2.505 35.026 32.500 0.035 0.000 1.143 203 K HN 0.497 8.747 8.250 -0.000 0.000 0.427 204 I N 1.706 122.331 120.570 0.092 0.000 2.569 204 I HA 0.388 4.555 4.170 -0.004 0.000 0.296 204 I C -0.641 175.559 176.117 0.140 0.000 1.028 204 I CA -0.869 60.484 61.300 0.089 0.000 1.082 204 I CB 2.043 40.065 38.000 0.036 0.000 1.264 204 I HN 0.441 8.651 8.210 -0.000 0.000 0.429 205 K N 4.468 124.949 120.400 0.135 0.000 2.443 205 K HA 0.398 4.716 4.320 -0.004 0.000 0.252 205 K C -1.927 174.784 176.600 0.185 0.000 0.933 205 K CA -0.658 55.682 56.287 0.089 0.000 0.792 205 K CB 1.878 34.383 32.500 0.008 0.000 1.185 205 K HN 0.491 8.741 8.250 -0.000 0.000 0.425 206 Y N 4.192 124.492 120.300 0.001 0.000 2.478 206 Y HA 0.339 4.886 4.550 -0.004 0.000 0.329 206 Y C 0.565 176.494 175.900 0.048 0.000 0.967 206 Y CA 0.705 58.804 58.100 -0.003 0.000 1.255 206 Y CB 0.888 39.342 38.460 -0.010 0.000 1.103 206 Y HN 0.992 9.272 8.280 -0.000 0.000 0.497 207 G N 4.491 113.238 108.800 -0.088 0.000 2.574 207 G HA2 -0.349 3.609 3.960 -0.004 0.000 0.301 207 G HA3 -0.349 3.609 3.960 -0.004 0.000 0.301 207 G C 0.996 175.986 174.900 0.150 0.000 1.166 207 G CA 0.688 45.825 45.100 0.062 0.000 0.971 207 G HN 0.481 8.771 8.290 -0.000 0.000 0.542 208 E N 1.402 121.639 120.200 0.062 0.000 2.230 208 E HA 0.339 4.686 4.350 -0.004 0.000 0.192 208 E C 1.702 178.260 176.600 -0.070 0.000 0.987 208 E CA 0.886 57.293 56.400 0.012 0.000 0.841 208 E CB -0.260 29.464 29.700 0.039 0.000 0.783 208 E HN 0.974 9.334 8.360 -0.000 0.000 0.481 209 A N 1.330 124.147 122.820 -0.005 0.000 2.354 209 A HA 0.258 4.576 4.320 -0.004 0.000 0.281 209 A C -0.798 176.762 177.584 -0.040 0.000 1.174 209 A CA -0.268 51.789 52.037 0.033 0.000 0.828 209 A CB -0.340 18.727 19.000 0.111 0.000 1.099 209 A HN -0.019 8.131 8.150 -0.000 0.000 0.516 210 Y N 1.728 122.101 120.300 0.122 0.000 2.442 210 Y HA 0.307 4.855 4.550 -0.004 0.000 0.330 210 Y C 1.599 177.550 175.900 0.084 0.000 1.129 210 Y CA 0.921 59.083 58.100 0.102 0.000 1.365 210 Y CB 1.321 39.826 38.460 0.075 0.000 1.233 210 Y HN 0.750 9.030 8.280 -0.000 0.000 0.529 211 T N -0.157 114.519 114.554 0.204 0.000 3.177 211 T HA 0.106 4.453 4.350 -0.004 0.000 0.262 211 T C -0.696 174.049 174.700 0.076 0.000 0.959 211 T CA 0.335 62.505 62.100 0.117 0.000 0.996 211 T CB 0.269 69.197 68.868 0.100 0.000 1.185 211 T HN 0.632 8.872 8.240 -0.000 0.000 0.486 212 D N 0.169 120.613 120.400 0.073 0.000 2.599 212 D HA 0.500 5.138 4.640 -0.004 0.000 0.252 212 D C -1.085 175.237 176.300 0.037 0.000 1.232 212 D CA -0.052 53.974 54.000 0.043 0.000 0.819 212 D CB 2.350 43.159 40.800 0.016 0.000 1.401 212 D HN 0.346 8.716 8.370 -0.000 0.000 0.429 213 T N -1.834 112.727 114.554 0.011 0.000 2.887 213 T HA 0.698 5.046 4.350 -0.004 0.000 0.292 213 T C -1.535 173.163 174.700 -0.003 0.000 1.087 213 T CA -0.603 61.476 62.100 -0.036 0.000 1.009 213 T CB 1.616 70.401 68.868 -0.139 0.000 1.203 213 T HN 0.307 8.547 8.240 -0.000 0.000 0.518 214 Y N 0.802 120.982 120.300 -0.200 0.000 2.421 214 Y HA 0.481 5.028 4.550 -0.004 0.000 0.339 214 Y C -0.363 175.424 175.900 -0.189 0.000 0.996 214 Y CA -0.884 57.131 58.100 -0.142 0.000 1.046 214 Y CB 1.579 40.009 38.460 -0.050 0.000 1.226 214 Y HN 0.819 9.099 8.280 -0.000 0.000 0.445 215 H N 2.266 121.103 119.070 -0.388 0.000 2.482 215 H HA 0.191 4.744 4.556 -0.004 0.000 0.344 215 H C -0.133 175.138 175.328 -0.094 0.000 1.151 215 H CA -0.347 55.581 56.048 -0.200 0.000 1.300 215 H CB 1.991 31.639 29.762 -0.190 0.000 1.494 215 H HN 0.585 8.865 8.280 -0.000 0.000 0.542 216 S N 1.691 117.474 115.700 0.140 0.000 2.575 216 S HA -0.082 4.386 4.470 -0.004 0.000 0.295 216 S C 0.772 175.434 174.600 0.102 0.000 1.267 216 S CA -0.024 58.224 58.200 0.080 0.000 1.074 216 S CB -0.290 62.937 63.200 0.046 0.000 0.829 216 S HN 0.627 8.937 8.310 -0.000 0.000 0.497 217 Y N 2.744 123.088 120.300 0.073 0.000 2.442 217 Y HA 0.653 5.201 4.550 -0.004 0.000 0.250 217 Y C 1.192 177.128 175.900 0.060 0.000 1.113 217 Y CA 0.051 58.190 58.100 0.065 0.000 1.273 217 Y CB -0.073 38.460 38.460 0.122 0.000 1.138 217 Y HN 0.596 8.876 8.280 -0.000 0.000 0.522 218 A N 0.289 122.952 122.820 -0.262 0.000 2.585 218 A HA 0.255 4.573 4.320 -0.004 0.000 0.266 218 A C 0.344 177.868 177.584 -0.100 0.000 1.178 218 A CA -0.152 51.800 52.037 -0.143 0.000 0.966 218 A CB -0.705 18.175 19.000 -0.200 0.000 1.170 218 A HN 0.461 8.611 8.150 -0.000 0.000 0.558 219 N N 0.495 119.144 118.700 -0.084 0.000 2.721 219 N HA -0.187 4.551 4.740 -0.004 0.000 0.249 219 N C -0.431 175.063 175.510 -0.027 0.000 1.072 219 N CA 1.073 54.105 53.050 -0.031 0.000 0.710 219 N CB -0.998 37.484 38.487 -0.008 0.000 0.993 219 N HN 0.438 8.818 8.380 -0.000 0.000 0.547 220 N N 0.756 119.426 118.700 -0.050 0.000 2.722 220 N HA 0.288 5.025 4.740 -0.004 0.000 0.242 220 N C -0.774 174.725 175.510 -0.017 0.000 1.398 220 N CA -0.451 52.581 53.050 -0.031 0.000 0.755 220 N CB 0.095 38.559 38.487 -0.038 0.000 1.268 220 N HN 0.290 8.670 8.380 -0.000 0.000 0.522 221 I N 0.671 121.264 120.570 0.039 0.000 6.793 221 I HA -0.327 3.841 4.170 -0.004 0.000 0.126 221 I C 0.068 176.287 176.117 0.169 0.000 1.828 221 I CA -0.035 61.336 61.300 0.118 0.000 2.046 221 I CB -0.896 37.105 38.000 0.002 0.000 3.541 221 I HN 0.348 8.558 8.210 -0.000 0.000 0.172 222 L N 3.747 125.062 121.223 0.155 0.000 2.573 222 L HA 0.252 4.590 4.340 -0.004 0.000 0.290 222 L C 0.625 177.620 176.870 0.208 0.000 1.247 222 L CA 1.297 56.201 54.840 0.107 0.000 0.876 222 L CB 0.271 42.383 42.059 0.089 0.000 1.123 222 L HN 0.455 8.685 8.230 -0.000 0.000 0.505 223 R N 1.888 122.469 120.500 0.135 0.000 2.629 223 R HA 0.531 4.869 4.340 -0.004 0.000 0.266 223 R C -0.999 175.338 176.300 0.062 0.000 1.051 223 R CA -0.240 55.956 56.100 0.159 0.000 0.895 223 R CB 1.850 32.233 30.300 0.139 0.000 1.246 223 R HN 0.824 9.094 8.270 -0.000 0.000 0.459 224 T N -0.627 113.952 114.554 0.042 0.000 2.676 224 T HA 0.212 4.560 4.350 -0.004 0.000 0.269 224 T C 0.446 175.121 174.700 -0.042 0.000 0.952 224 T CA -0.326 61.754 62.100 -0.034 0.000 1.040 224 T CB 1.597 70.418 68.868 -0.078 0.000 1.352 224 T HN 0.589 8.829 8.240 -0.000 0.000 0.554 225 Q N -0.049 119.685 119.800 -0.110 0.000 2.119 225 Q HA -0.022 4.316 4.340 -0.004 0.000 0.201 225 Q C -0.136 175.795 176.000 -0.115 0.000 0.972 225 Q CA 1.221 56.950 55.803 -0.123 0.000 0.847 225 Q CB 0.079 28.714 28.738 -0.171 0.000 0.903 225 Q HN 0.625 8.895 8.270 -0.000 0.000 0.433 226 E N -0.189 119.910 120.200 -0.168 0.000 2.637 226 E HA -0.166 4.181 4.350 -0.004 0.000 0.265 226 E C -0.567 175.801 176.600 -0.387 0.000 1.073 226 E CA 1.146 57.463 56.400 -0.137 0.000 0.778 226 E CB -2.288 27.513 29.700 0.169 0.000 1.362 226 E HN 0.446 8.806 8.360 -0.000 0.000 0.413 227 S N -2.593 112.648 115.700 -0.764 0.000 2.636 227 S HA 0.762 5.229 4.470 -0.004 0.000 0.268 227 S C -0.334 173.801 174.600 -0.774 0.000 1.159 227 S CA -0.613 57.132 58.200 -0.757 0.000 0.815 227 S CB 1.837 64.982 63.200 -0.093 0.000 1.130 227 S HN 0.715 9.025 8.310 -0.000 0.000 0.471 228 A N 0.761 123.424 122.820 -0.261 0.000 2.511 228 A HA 0.496 4.813 4.320 -0.004 0.000 0.242 228 A C 1.051 178.605 177.584 -0.050 0.000 1.069 228 A CA -0.102 51.915 52.037 -0.032 0.000 0.763 228 A CB -1.445 17.709 19.000 0.256 0.000 1.001 228 A HN 1.684 9.834 8.150 -0.000 0.000 0.498 229 c N 1.869 120.440 118.600 -0.050 0.000 2.640 229 c HA 0.517 5.084 4.570 -0.004 0.000 0.330 229 c C 0.293 174.404 174.090 0.036 0.000 1.416 229 c CA -1.249 55.069 56.329 -0.018 0.000 2.396 229 c CB -0.188 42.300 42.510 -0.037 0.000 2.330 229 c HN 0.791 9.021 8.230 -0.000 0.000 0.704 230 N N -0.436 118.287 118.700 0.038 0.000 2.430 230 N HA 0.411 5.149 4.740 -0.004 0.000 0.290 230 N C -1.633 173.998 175.510 0.202 0.000 1.063 230 N CA -0.156 52.926 53.050 0.054 0.000 0.883 230 N CB 1.786 40.105 38.487 -0.280 0.000 1.465 230 N HN 0.745 9.125 8.380 -0.000 0.000 0.493 231 c N 2.488 121.262 118.600 0.290 0.000 2.411 231 c HA 0.674 5.241 4.570 -0.004 0.000 0.330 231 c C 0.385 174.584 174.090 0.181 0.000 1.224 231 c CA -0.737 55.704 56.329 0.187 0.000 1.770 231 c CB 0.385 42.914 42.510 0.032 0.000 2.297 231 c HN 0.683 8.913 8.230 -0.000 0.000 0.507 232 I N 1.859 122.443 120.570 0.024 0.000 2.586 232 I HA 0.529 4.697 4.170 -0.004 0.000 0.288 232 I C 0.726 176.552 176.117 -0.484 0.000 1.147 232 I CA 0.433 61.559 61.300 -0.290 0.000 1.047 232 I CB 1.291 39.176 38.000 -0.192 0.000 1.244 232 I HN 0.954 9.164 8.210 -0.000 0.000 0.429 233 G N 4.677 112.906 108.800 -0.953 0.000 2.258 233 G HA2 -0.166 3.791 3.960 -0.004 0.000 0.274 233 G HA3 -0.166 3.791 3.960 -0.004 0.000 0.274 233 G C 1.053 175.281 174.900 -1.119 0.000 1.021 233 G CA 0.630 45.263 45.100 -0.778 0.000 0.798 233 G HN 2.027 10.316 8.290 -0.000 0.000 0.507 234 G N -1.557 106.550 108.800 -1.154 0.000 2.195 234 G HA2 -0.288 3.670 3.960 -0.004 0.000 0.246 234 G HA3 -0.288 3.670 3.960 -0.004 0.000 0.246 234 G C 0.148 174.539 174.900 -0.847 0.000 0.984 234 G CA 0.405 44.514 45.100 -1.651 0.000 0.633 234 G HN 1.070 9.360 8.290 -0.000 0.000 0.525 235 N N 0.598 118.977 118.700 -0.536 0.000 2.422 235 N HA 0.491 5.229 4.740 -0.004 0.000 0.266 235 N C -0.256 175.098 175.510 -0.262 0.000 1.007 235 N CA 0.144 52.964 53.050 -0.384 0.000 0.941 235 N CB 1.243 39.559 38.487 -0.284 0.000 1.115 235 N HN 0.263 8.643 8.380 -0.000 0.000 0.492 236 c N 2.895 121.297 118.600 -0.331 0.000 2.329 236 c HA 0.467 5.035 4.570 -0.004 0.000 0.329 236 c C -0.130 173.782 174.090 -0.297 0.000 1.275 236 c CA -0.814 55.410 56.329 -0.176 0.000 1.726 236 c CB -1.062 41.369 42.510 -0.132 0.000 2.291 236 c HN 0.570 8.800 8.230 -0.000 0.000 0.514 237 Y N 2.366 122.627 120.300 -0.066 0.000 2.360 237 Y HA 0.717 5.264 4.550 -0.004 0.000 0.337 237 Y C -0.053 175.840 175.900 -0.011 0.000 1.039 237 Y CA -0.809 57.266 58.100 -0.041 0.000 1.109 237 Y CB 1.229 39.652 38.460 -0.061 0.000 1.201 237 Y HN 0.499 8.779 8.280 -0.000 0.000 0.458 238 L N 4.788 126.097 121.223 0.143 0.000 2.464 238 L HA 0.483 4.820 4.340 -0.004 0.000 0.266 238 L C -1.153 175.645 176.870 -0.120 0.000 0.965 238 L CA -0.872 53.971 54.840 0.007 0.000 0.833 238 L CB 1.858 43.856 42.059 -0.102 0.000 1.296 238 L HN 0.674 8.904 8.230 -0.000 0.000 0.405 239 M N 6.613 126.019 119.600 -0.323 0.000 2.180 239 M HA 0.484 4.962 4.480 -0.004 0.000 0.358 239 M C -0.957 175.096 176.300 -0.413 0.000 1.233 239 M CA -0.318 54.510 55.300 -0.788 0.000 1.114 239 M CB 0.661 32.781 32.600 -0.800 0.000 1.594 239 M HN 0.693 8.983 8.290 -0.000 0.000 0.467 240 I N 1.244 121.588 120.570 -0.377 0.000 2.934 240 I HA 0.795 4.963 4.170 -0.004 0.000 0.306 240 I C -0.871 175.219 176.117 -0.045 0.000 1.110 240 I CA -0.534 60.680 61.300 -0.144 0.000 1.019 240 I CB 2.589 40.550 38.000 -0.066 0.000 1.227 240 I HN 0.642 8.852 8.210 -0.000 0.000 0.434 241 T N 0.944 115.528 114.554 0.051 0.000 2.812 241 T HA 0.508 4.855 4.350 -0.004 0.000 0.294 241 T C -2.074 172.631 174.700 0.008 0.000 1.159 241 T CA -0.237 61.924 62.100 0.101 0.000 1.008 241 T CB 1.824 70.702 68.868 0.017 0.000 1.289 241 T HN 0.914 9.154 8.240 -0.000 0.000 0.514 242 D N -0.892 119.425 120.400 -0.138 0.000 2.769 242 D HA 0.610 5.248 4.640 -0.004 0.000 0.219 242 D C -0.383 175.768 176.300 -0.249 0.000 1.245 242 D CA 0.976 54.776 54.000 -0.334 0.000 0.801 242 D CB 1.673 41.894 40.800 -0.964 0.000 1.598 242 D HN 1.107 9.477 8.370 -0.000 0.000 0.485 243 G N 0.613 109.315 108.800 -0.163 0.000 2.359 243 G HA2 0.289 4.246 3.960 -0.004 0.000 0.303 243 G HA3 0.289 4.246 3.960 -0.004 0.000 0.303 243 G C -1.073 173.791 174.900 -0.059 0.000 1.293 243 G CA -0.213 44.825 45.100 -0.105 0.000 0.964 243 G HN 0.532 8.822 8.290 -0.000 0.000 0.531 244 S N -0.114 115.572 115.700 -0.024 0.000 2.510 244 S HA 0.487 4.955 4.470 -0.004 0.000 0.279 244 S C 1.716 176.355 174.600 0.066 0.000 1.284 244 S CA 0.918 59.127 58.200 0.014 0.000 1.059 244 S CB 0.751 63.969 63.200 0.030 0.000 0.901 244 S HN 2.070 10.380 8.310 -0.000 0.000 0.491 245 A N 4.387 127.253 122.820 0.077 0.000 2.178 245 A HA 0.019 4.337 4.320 -0.004 0.000 0.218 245 A C 2.160 179.815 177.584 0.118 0.000 1.157 245 A CA 1.533 53.660 52.037 0.151 0.000 0.689 245 A CB -0.404 18.641 19.000 0.075 0.000 0.787 245 A HN 0.726 8.876 8.150 -0.000 0.000 0.465 246 S N -2.280 113.451 115.700 0.053 0.000 2.502 246 S HA 0.385 4.852 4.470 -0.004 0.000 0.215 246 S C 1.162 175.723 174.600 -0.065 0.000 1.009 246 S CA 0.494 58.668 58.200 -0.044 0.000 0.908 246 S CB 0.322 63.506 63.200 -0.027 0.000 0.801 246 S HN 0.774 9.084 8.310 -0.000 0.000 0.505 247 G N 0.890 109.734 108.800 0.074 0.000 3.377 247 G HA2 0.442 4.400 3.960 -0.004 0.000 0.182 247 G HA3 0.442 4.400 3.960 -0.004 0.000 0.182 247 G C -0.881 174.233 174.900 0.356 0.000 1.166 247 G CA -0.406 44.797 45.100 0.172 0.000 0.771 247 G HN 0.151 8.441 8.290 -0.000 0.000 0.701 248 I N 2.151 122.862 120.570 0.235 0.000 2.352 248 I HA 0.404 4.571 4.170 -0.004 0.000 0.290 248 I C -0.400 175.686 176.117 -0.052 0.000 1.036 248 I CA -0.129 61.266 61.300 0.157 0.000 1.336 248 I CB 0.608 38.675 38.000 0.112 0.000 1.407 248 I HN 0.058 8.268 8.210 -0.000 0.000 0.497 249 S N 6.328 121.850 115.700 -0.296 0.000 2.664 249 S HA 0.318 4.785 4.470 -0.004 0.000 0.262 249 S C -0.256 174.253 174.600 -0.151 0.000 1.229 249 S CA -0.852 57.156 58.200 -0.321 0.000 1.151 249 S CB 0.724 63.574 63.200 -0.583 0.000 1.054 249 S HN 0.464 8.774 8.310 -0.000 0.000 0.483 250 E N 1.811 122.031 120.200 0.034 0.000 2.167 250 E HA 0.281 4.629 4.350 -0.004 0.000 0.284 250 E C 0.501 177.219 176.600 0.196 0.000 1.016 250 E CA -0.652 55.818 56.400 0.117 0.000 0.817 250 E CB 0.632 30.425 29.700 0.156 0.000 1.080 250 E HN 0.730 9.090 8.360 -0.000 0.000 0.397 251 C N 2.979 122.350 119.300 0.119 0.000 2.580 251 C HA 0.563 5.020 4.460 -0.004 0.000 0.371 251 C C 0.222 175.229 174.990 0.027 0.000 1.308 251 C CA -0.702 58.357 59.018 0.068 0.000 2.428 251 C CB 0.140 27.845 27.740 -0.058 0.000 2.529 251 C HN 0.779 9.009 8.230 -0.000 0.000 0.657 252 R N 0.240 120.668 120.500 -0.120 0.000 2.855 252 R HA 0.678 5.016 4.340 -0.004 0.000 0.266 252 R C -1.632 174.461 176.300 -0.344 0.000 1.034 252 R CA -0.446 55.538 56.100 -0.192 0.000 0.944 252 R CB 1.486 31.567 30.300 -0.366 0.000 1.219 252 R HN 0.726 8.996 8.270 -0.000 0.000 0.474 253 F N 0.956 120.761 119.950 -0.242 0.000 2.508 253 F HA 0.494 5.019 4.527 -0.004 0.000 0.325 253 F C -0.121 175.501 175.800 -0.297 0.000 1.090 253 F CA -0.872 57.013 58.000 -0.193 0.000 0.945 253 F CB 1.515 40.466 39.000 -0.082 0.000 1.156 253 F HN 0.006 8.306 8.300 -0.000 0.000 0.463 254 L N 2.843 123.980 121.223 -0.143 0.000 2.317 254 L HA 0.488 4.826 4.340 -0.004 0.000 0.281 254 L C -0.386 176.345 176.870 -0.231 0.000 1.024 254 L CA -0.882 53.798 54.840 -0.267 0.000 0.810 254 L CB 1.798 43.633 42.059 -0.373 0.000 1.240 254 L HN 0.522 8.752 8.230 -0.000 0.000 0.427 255 K N 4.135 124.350 120.400 -0.309 0.000 2.240 255 K HA 0.623 4.941 4.320 -0.004 0.000 0.271 255 K C -1.194 175.170 176.600 -0.393 0.000 1.018 255 K CA -0.393 55.580 56.287 -0.523 0.000 0.874 255 K CB 0.912 33.118 32.500 -0.490 0.000 1.098 255 K HN 0.523 8.773 8.250 -0.000 0.000 0.458 256 I N 4.368 124.690 120.570 -0.413 0.000 2.447 256 I HA 0.366 4.533 4.170 -0.004 0.000 0.287 256 I C -0.469 175.451 176.117 -0.330 0.000 1.023 256 I CA -0.802 60.317 61.300 -0.302 0.000 1.083 256 I CB 1.956 39.815 38.000 -0.235 0.000 1.245 256 I HN 0.496 8.706 8.210 -0.000 0.000 0.434 257 R N 5.869 126.182 120.500 -0.312 0.000 2.451 257 R HA 0.336 4.674 4.340 -0.004 0.000 0.307 257 R C -0.532 175.532 176.300 -0.394 0.000 0.965 257 R CA -0.296 55.592 56.100 -0.353 0.000 0.865 257 R CB 0.901 31.012 30.300 -0.314 0.000 1.174 257 R HN 0.698 8.968 8.270 -0.000 0.000 0.455 258 E N 2.742 122.601 120.200 -0.568 0.000 2.297 258 E HA -0.262 4.085 4.350 -0.004 0.000 0.228 258 E C 0.527 176.482 176.600 -1.074 0.000 1.213 258 E CA 0.784 56.506 56.400 -1.131 0.000 0.712 258 E CB -1.086 28.279 29.700 -0.559 0.000 1.202 258 E HN 1.187 9.547 8.360 -0.000 0.000 0.376 259 G N -0.271 108.098 108.800 -0.718 0.000 2.199 259 G HA2 -0.368 3.589 3.960 -0.004 0.000 0.254 259 G HA3 -0.368 3.589 3.960 -0.004 0.000 0.254 259 G C 0.257 175.057 174.900 -0.166 0.000 0.982 259 G CA 0.533 45.462 45.100 -0.285 0.000 0.632 259 G HN 0.298 8.588 8.290 -0.000 0.000 0.529 260 R N -0.332 120.049 120.500 -0.200 0.000 2.637 260 R HA 0.647 4.984 4.340 -0.004 0.000 0.291 260 R C 0.146 176.365 176.300 -0.134 0.000 0.963 260 R CA -0.981 55.045 56.100 -0.124 0.000 0.901 260 R CB 1.475 31.718 30.300 -0.096 0.000 1.160 260 R HN 0.217 8.487 8.270 -0.000 0.000 0.457 261 I N 4.770 125.285 120.570 -0.091 0.000 2.436 261 I HA 0.030 4.197 4.170 -0.004 0.000 0.289 261 I C 1.538 177.599 176.117 -0.094 0.000 1.083 261 I CA 0.351 61.588 61.300 -0.106 0.000 1.372 261 I CB 0.559 38.526 38.000 -0.056 0.000 1.408 261 I HN 0.696 8.906 8.210 -0.000 0.000 0.516 262 I N 3.989 124.478 120.570 -0.135 0.000 4.057 262 I HA 0.310 4.478 4.170 -0.004 0.000 0.334 262 I C 0.315 176.377 176.117 -0.091 0.000 1.308 262 I CA -0.093 61.143 61.300 -0.107 0.000 1.125 262 I CB 0.049 37.971 38.000 -0.130 0.000 1.034 262 I HN 0.615 8.825 8.210 -0.000 0.000 0.401 263 K N 1.371 121.701 120.400 -0.116 0.000 2.703 263 K HA 0.348 4.666 4.320 -0.004 0.000 0.285 263 K C -1.824 174.682 176.600 -0.156 0.000 1.014 263 K CA -0.758 55.475 56.287 -0.091 0.000 0.858 263 K CB 0.929 33.394 32.500 -0.058 0.000 1.467 263 K HN 0.245 8.495 8.250 -0.000 0.000 0.383 264 E N 2.661 122.759 120.200 -0.170 0.000 2.171 264 E HA 0.504 4.852 4.350 -0.004 0.000 0.271 264 E C -0.755 175.533 176.600 -0.520 0.000 0.916 264 E CA -0.956 55.208 56.400 -0.394 0.000 0.774 264 E CB 1.772 31.215 29.700 -0.429 0.000 1.128 264 E HN 0.447 8.807 8.360 -0.000 0.000 0.403 265 I N 2.898 123.167 120.570 -0.503 0.000 2.339 265 I HA 0.266 4.434 4.170 -0.004 0.000 0.290 265 I C -0.924 174.918 176.117 -0.459 0.000 0.994 265 I CA -0.865 60.242 61.300 -0.323 0.000 1.191 265 I CB 0.654 38.618 38.000 -0.061 0.000 1.343 265 I HN 0.467 8.677 8.210 -0.000 0.000 0.458 266 F N 6.906 126.886 119.950 0.049 0.000 2.361 266 F HA 0.467 4.991 4.527 -0.004 0.000 0.364 266 F C -2.007 173.832 175.800 0.065 0.000 1.120 266 F CA -2.340 55.685 58.000 0.041 0.000 1.102 266 F CB 0.247 39.252 39.000 0.009 0.000 1.183 266 F HN 0.221 8.521 8.300 -0.000 0.000 0.476 267 P HA 0.241 4.661 4.420 -0.000 0.000 0.272 267 P C -0.158 177.225 177.300 0.140 0.000 1.230 267 P CA -0.361 62.841 63.100 0.170 0.000 0.788 267 P CB 0.796 32.622 31.700 0.210 0.000 0.949 268 T N -2.336 112.277 114.554 0.098 0.000 2.940 268 T HA 0.735 5.083 4.350 -0.004 0.000 0.288 268 T C 0.429 175.141 174.700 0.019 0.000 1.045 268 T CA 0.040 62.175 62.100 0.058 0.000 1.018 268 T CB 1.494 70.391 68.868 0.048 0.000 1.151 268 T HN 0.754 8.994 8.240 -0.000 0.000 0.529 269 G N 1.119 109.908 108.800 -0.019 0.000 2.578 269 G HA2 -0.134 3.824 3.960 -0.004 0.000 0.232 269 G HA3 -0.134 3.824 3.960 -0.004 0.000 0.232 269 G C -0.372 174.484 174.900 -0.073 0.000 1.176 269 G CA -0.312 44.739 45.100 -0.081 0.000 0.968 269 G HN 0.882 9.172 8.290 -0.000 0.000 0.583 270 R N 1.669 122.105 120.500 -0.107 0.000 2.429 270 R HA 0.378 4.716 4.340 -0.004 0.000 0.302 270 R C 1.437 177.733 176.300 -0.007 0.000 1.268 270 R CA 0.744 56.801 56.100 -0.072 0.000 1.090 270 R CB 0.047 30.284 30.300 -0.105 0.000 1.102 270 R HN 1.248 9.518 8.270 -0.000 0.000 0.522 271 V N 2.171 122.094 119.914 0.015 0.000 3.605 271 V HA 0.069 4.186 4.120 -0.004 0.000 0.284 271 V C 1.886 178.024 176.094 0.072 0.000 1.386 271 V CA 0.477 62.812 62.300 0.059 0.000 1.053 271 V CB -0.050 31.814 31.823 0.068 0.000 0.857 271 V HN 0.561 8.751 8.190 -0.000 0.000 0.436 272 K N 0.777 121.208 120.400 0.052 0.000 2.281 272 K HA -0.172 4.145 4.320 -0.004 0.000 0.203 272 K C 0.614 177.334 176.600 0.199 0.000 1.046 272 K CA 1.940 58.267 56.287 0.068 0.000 0.938 272 K CB -0.280 32.192 32.500 -0.047 0.000 0.737 272 K HN 0.729 8.979 8.250 -0.000 0.000 0.458 273 H N -0.622 118.531 119.070 0.137 0.000 3.235 273 H HA 0.195 4.749 4.556 -0.003 0.000 0.324 273 H C -1.812 173.582 175.328 0.110 0.000 1.059 273 H CA -0.509 55.637 56.048 0.163 0.000 1.497 273 H CB 1.806 31.727 29.762 0.266 0.000 1.986 273 H HN 0.109 8.389 8.280 -0.000 0.000 0.444 274 T N 4.523 119.213 114.554 0.226 0.000 3.143 274 T HA 0.276 4.624 4.350 -0.004 0.000 0.312 274 T C -0.784 173.988 174.700 0.121 0.000 0.986 274 T CA -0.744 61.463 62.100 0.179 0.000 1.024 274 T CB 1.669 70.606 68.868 0.115 0.000 1.030 274 T HN 0.566 8.806 8.240 -0.000 0.000 0.448 275 E N 1.378 121.660 120.200 0.138 0.000 2.314 275 E HA 0.384 4.731 4.350 -0.004 0.000 0.272 275 E C -0.719 175.899 176.600 0.029 0.000 0.884 275 E CA -0.840 55.612 56.400 0.087 0.000 0.753 275 E CB 1.656 31.449 29.700 0.155 0.000 1.213 275 E HN 0.698 9.058 8.360 -0.000 0.000 0.432 276 E N 0.339 120.538 120.200 -0.003 0.000 2.297 276 E HA -0.228 4.120 4.350 -0.004 0.000 0.228 276 E C -0.871 175.712 176.600 -0.028 0.000 1.213 276 E CA -0.042 56.337 56.400 -0.035 0.000 0.712 276 E CB -1.573 28.077 29.700 -0.084 0.000 1.202 276 E HN 0.393 8.753 8.360 -0.000 0.000 0.376 277 c N 0.796 119.382 118.600 -0.024 0.000 2.642 277 c HA 0.085 4.653 4.570 -0.004 0.000 0.420 277 c C 1.251 175.373 174.090 0.053 0.000 1.349 277 c CA 0.069 56.410 56.329 0.020 0.000 1.821 277 c CB -0.022 42.507 42.510 0.032 0.000 2.637 277 c HN 0.290 8.520 8.230 -0.000 0.000 0.605 278 T N 3.623 118.249 114.554 0.120 0.000 2.753 278 T HA 0.369 4.717 4.350 -0.004 0.000 0.297 278 T C -0.183 174.676 174.700 0.265 0.000 0.981 278 T CA -0.225 61.993 62.100 0.197 0.000 0.956 278 T CB 0.123 69.154 68.868 0.271 0.000 0.936 278 T HN 0.789 9.029 8.240 -0.000 0.000 0.463 279 c N 2.879 121.586 118.600 0.177 0.000 2.493 279 c HA 1.019 5.587 4.570 -0.004 0.000 0.326 279 c C 0.985 175.109 174.090 0.058 0.000 1.200 279 c CA -0.567 55.844 56.329 0.137 0.000 1.739 279 c CB 1.052 43.609 42.510 0.079 0.000 2.300 279 c HN 1.093 9.323 8.230 -0.000 0.000 0.500 280 G N 0.331 109.149 108.800 0.029 0.000 2.645 280 G HA2 0.675 4.633 3.960 -0.004 0.000 0.292 280 G HA3 0.675 4.633 3.960 -0.004 0.000 0.292 280 G C -1.745 173.030 174.900 -0.209 0.000 1.415 280 G CA -0.462 44.623 45.100 -0.024 0.000 0.785 280 G HN 0.424 8.714 8.290 -0.000 0.000 0.483 281 F N 1.277 121.158 119.950 -0.116 0.000 2.411 281 F HA 0.505 5.030 4.527 -0.003 0.000 0.355 281 F C 1.458 176.814 175.800 -0.739 0.000 1.117 281 F CA 0.099 57.924 58.000 -0.292 0.000 1.139 281 F CB 1.979 40.893 39.000 -0.144 0.000 1.120 281 F HN 0.564 8.864 8.300 -0.000 0.000 0.493 282 A N 2.459 124.873 122.820 -0.677 0.000 2.014 282 A HA 0.198 4.515 4.320 -0.004 0.000 0.218 282 A C 0.904 178.405 177.584 -0.139 0.000 1.163 282 A CA 1.343 53.061 52.037 -0.530 0.000 0.652 282 A CB -0.290 18.590 19.000 -0.200 0.000 0.808 282 A HN 0.744 8.894 8.150 -0.000 0.000 0.449 283 S N -3.278 112.399 115.700 -0.039 0.000 2.671 283 S HA 0.206 4.674 4.470 -0.004 0.000 0.270 283 S C -0.084 174.515 174.600 -0.001 0.000 1.166 283 S CA -0.211 57.982 58.200 -0.012 0.000 0.868 283 S CB -0.079 63.113 63.200 -0.013 0.000 1.190 283 S HN 0.026 8.336 8.310 -0.000 0.000 0.494 284 N N 0.961 119.638 118.700 -0.038 0.000 2.512 284 N HA 0.092 4.830 4.740 -0.004 0.000 0.183 284 N C 0.914 176.425 175.510 0.002 0.000 1.073 284 N CA 0.697 53.717 53.050 -0.050 0.000 0.911 284 N CB -0.207 38.257 38.487 -0.039 0.000 0.964 284 N HN 0.471 8.851 8.380 -0.000 0.000 0.447 285 K N -0.349 120.054 120.400 0.007 0.000 2.335 285 K HA 0.093 4.411 4.320 -0.004 0.000 0.195 285 K C 0.766 177.354 176.600 -0.019 0.000 1.058 285 K CA 0.407 56.692 56.287 -0.003 0.000 0.988 285 K CB 0.218 32.711 32.500 -0.012 0.000 0.880 285 K HN 0.150 8.400 8.250 -0.000 0.000 0.513 286 T N -0.896 113.658 114.554 -0.001 0.000 2.861 286 T HA 0.651 4.999 4.350 -0.004 0.000 0.287 286 T C -0.138 174.519 174.700 -0.072 0.000 1.003 286 T CA -0.761 61.304 62.100 -0.059 0.000 0.977 286 T CB 1.644 70.474 68.868 -0.062 0.000 0.996 286 T HN -0.065 8.175 8.240 -0.000 0.000 0.448 287 I N 2.097 122.534 120.570 -0.222 0.000 2.392 287 I HA 0.460 4.628 4.170 -0.004 0.000 0.295 287 I C 0.221 176.219 176.117 -0.199 0.000 0.985 287 I CA -0.776 60.321 61.300 -0.339 0.000 1.221 287 I CB 1.781 39.449 38.000 -0.555 0.000 1.366 287 I HN 0.703 8.913 8.210 -0.000 0.000 0.467 288 E N 4.422 124.600 120.200 -0.036 0.000 2.256 288 E HA 0.566 4.914 4.350 -0.004 0.000 0.267 288 E C -1.608 175.060 176.600 0.112 0.000 0.892 288 E CA -0.669 55.761 56.400 0.050 0.000 0.775 288 E CB 2.412 32.345 29.700 0.388 0.000 1.207 288 E HN 0.507 8.867 8.360 -0.000 0.000 0.420 289 c N 1.648 120.102 118.600 -0.243 0.000 2.626 289 c HA 0.818 5.386 4.570 -0.004 0.000 0.310 289 c C -0.278 173.478 174.090 -0.558 0.000 1.191 289 c CA -0.778 55.475 56.329 -0.126 0.000 1.517 289 c CB 1.005 43.549 42.510 0.056 0.000 2.102 289 c HN 0.788 9.018 8.230 -0.000 0.000 0.479 290 A N 1.456 124.083 122.820 -0.321 0.000 2.303 290 A HA 0.820 5.137 4.320 -0.004 0.000 0.320 290 A C -0.300 177.276 177.584 -0.013 0.000 1.192 290 A CA -0.206 51.690 52.037 -0.234 0.000 0.821 290 A CB 0.273 19.141 19.000 -0.220 0.000 1.188 290 A HN 1.007 9.157 8.150 -0.000 0.000 0.492 291 c N 0.693 119.305 118.600 0.020 0.000 2.967 291 c HA 0.829 5.397 4.570 -0.004 0.000 0.372 291 c C 0.278 174.393 174.090 0.041 0.000 1.455 291 c CA -0.824 55.529 56.329 0.040 0.000 1.638 291 c CB 1.495 44.039 42.510 0.058 0.000 2.096 291 c HN 0.956 9.186 8.230 -0.000 0.000 0.466 292 R N 1.153 121.675 120.500 0.038 0.000 2.387 292 R HA 0.374 4.711 4.340 -0.004 0.000 0.314 292 R C -1.535 174.795 176.300 0.049 0.000 0.958 292 R CA -0.084 56.028 56.100 0.021 0.000 0.846 292 R CB 0.962 31.255 30.300 -0.011 0.000 1.147 292 R HN 0.836 9.106 8.270 -0.000 0.000 0.447 293 D N 3.235 123.631 120.400 -0.007 0.000 2.396 293 D HA 0.044 4.682 4.640 -0.004 0.000 0.225 293 D C 0.028 176.137 176.300 -0.318 0.000 1.121 293 D CA -0.165 53.768 54.000 -0.113 0.000 0.853 293 D CB 1.143 41.927 40.800 -0.026 0.000 1.043 293 D HN 0.614 8.984 8.370 -0.000 0.000 0.500 294 N N 1.698 120.039 118.700 -0.599 0.000 2.461 294 N HA -0.018 4.720 4.740 -0.004 0.000 0.188 294 N C 0.482 175.695 175.510 -0.495 0.000 1.134 294 N CA 0.478 53.277 53.050 -0.417 0.000 0.878 294 N CB 0.486 38.856 38.487 -0.195 0.000 0.972 294 N HN 0.173 8.553 8.380 -0.000 0.000 0.456 295 S N -1.707 113.553 115.700 -0.734 0.000 2.931 295 S HA 0.167 4.635 4.470 -0.004 0.000 0.251 295 S C 0.696 174.901 174.600 -0.658 0.000 1.078 295 S CA -0.118 57.612 58.200 -0.784 0.000 0.835 295 S CB -0.025 62.390 63.200 -1.308 0.000 0.798 295 S HN 0.278 8.588 8.310 -0.000 0.000 0.495 296 Y N 1.612 121.819 120.300 -0.155 0.000 2.498 296 Y HA 0.499 5.045 4.550 -0.006 0.000 0.259 296 Y C 0.982 176.819 175.900 -0.105 0.000 1.086 296 Y CA 0.049 58.092 58.100 -0.096 0.000 1.287 296 Y CB 0.581 39.008 38.460 -0.056 0.000 1.146 296 Y HN 0.202 8.482 8.280 -0.000 0.000 0.523 297 T N -1.163 113.387 114.554 -0.008 0.000 2.942 297 T HA 0.607 4.955 4.350 -0.004 0.000 0.327 297 T C 0.124 174.762 174.700 -0.102 0.000 1.360 297 T CA -0.061 62.001 62.100 -0.063 0.000 1.055 297 T CB 1.296 70.137 68.868 -0.046 0.000 1.261 297 T HN 0.003 8.243 8.240 -0.000 0.000 0.485 298 A N 2.839 125.566 122.820 -0.155 0.000 2.218 298 A HA 0.333 4.650 4.320 -0.004 0.000 0.209 298 A C 0.811 178.328 177.584 -0.110 0.000 1.168 298 A CA 0.362 52.319 52.037 -0.135 0.000 0.804 298 A CB -0.199 18.705 19.000 -0.160 0.000 0.834 298 A HN 0.689 8.839 8.150 -0.000 0.000 0.482 299 K N 1.143 121.453 120.400 -0.150 0.000 2.350 299 K HA 0.257 4.575 4.320 -0.004 0.000 0.279 299 K C -0.351 176.245 176.600 -0.008 0.000 1.027 299 K CA -0.154 56.100 56.287 -0.056 0.000 0.969 299 K CB 0.671 33.129 32.500 -0.071 0.000 0.954 299 K HN 0.292 8.542 8.250 -0.000 0.000 0.474 300 R N 3.386 123.900 120.500 0.023 0.000 2.265 300 R HA 0.165 4.502 4.340 -0.004 0.000 0.314 300 R C -2.373 173.993 176.300 0.110 0.000 1.053 300 R CA -2.013 54.118 56.100 0.051 0.000 0.931 300 R CB 0.371 30.699 30.300 0.047 0.000 1.024 300 R HN 0.336 8.606 8.270 -0.000 0.000 0.457 301 P HA -0.095 4.325 4.420 -0.000 0.000 0.264 301 P C -1.037 176.399 177.300 0.227 0.000 1.193 301 P CA 0.485 63.679 63.100 0.156 0.000 0.763 301 P CB 0.253 32.032 31.700 0.131 0.000 0.810 302 F N 4.749 124.814 119.950 0.193 0.000 2.427 302 F HA 0.372 4.896 4.527 -0.004 0.000 0.348 302 F C -0.690 175.354 175.800 0.406 0.000 1.125 302 F CA -0.761 57.391 58.000 0.253 0.000 0.989 302 F CB 0.986 40.157 39.000 0.284 0.000 1.165 302 F HN -0.031 8.269 8.300 -0.000 0.000 0.442 303 V N 6.161 126.016 119.914 -0.098 0.000 2.481 303 V HA 0.366 4.484 4.120 -0.004 0.000 0.286 303 V C -0.480 175.589 176.094 -0.041 0.000 1.042 303 V CA -0.768 61.581 62.300 0.082 0.000 0.928 303 V CB 1.616 33.496 31.823 0.096 0.000 0.986 303 V HN 0.587 8.777 8.190 -0.000 0.000 0.462 304 K N 5.168 125.646 120.400 0.130 0.000 2.483 304 K HA 0.544 4.862 4.320 -0.004 0.000 0.256 304 K C -1.186 175.358 176.600 -0.095 0.000 0.961 304 K CA -0.454 55.819 56.287 -0.022 0.000 0.873 304 K CB 2.067 34.512 32.500 -0.090 0.000 1.107 304 K HN 0.510 8.760 8.250 -0.000 0.000 0.432 305 L N 3.571 124.650 121.223 -0.239 0.000 2.298 305 L HA 0.333 4.671 4.340 -0.004 0.000 0.284 305 L C -0.712 175.994 176.870 -0.273 0.000 1.013 305 L CA -0.720 53.913 54.840 -0.345 0.000 0.824 305 L CB 0.979 42.657 42.059 -0.635 0.000 1.221 305 L HN 0.576 8.806 8.230 -0.000 0.000 0.418 306 N N 4.028 122.616 118.700 -0.186 0.000 2.406 306 N HA 0.049 4.786 4.740 -0.004 0.000 0.251 306 N C 0.693 176.106 175.510 -0.162 0.000 1.069 306 N CA -0.259 52.710 53.050 -0.134 0.000 0.947 306 N CB 1.696 40.146 38.487 -0.061 0.000 1.111 306 N HN 0.562 8.942 8.380 -0.000 0.000 0.497 307 V N 1.339 121.137 119.914 -0.192 0.000 3.461 307 V HA 0.099 4.217 4.120 -0.004 0.000 0.267 307 V C 1.567 177.649 176.094 -0.019 0.000 1.186 307 V CA 0.969 63.162 62.300 -0.179 0.000 1.154 307 V CB -0.535 31.135 31.823 -0.254 0.000 0.802 307 V HN 0.505 8.695 8.190 -0.000 0.000 0.474 308 E N 1.721 121.910 120.200 -0.018 0.000 2.072 308 E HA -0.092 4.256 4.350 -0.004 0.000 0.190 308 E C 2.126 178.735 176.600 0.014 0.000 0.982 308 E CA 1.819 58.224 56.400 0.008 0.000 0.803 308 E CB -0.001 29.701 29.700 0.003 0.000 0.755 308 E HN 0.877 9.237 8.360 -0.000 0.000 0.453 309 T N -2.637 111.920 114.554 0.004 0.000 3.054 309 T HA 0.080 4.427 4.350 -0.004 0.000 0.255 309 T C -0.049 174.662 174.700 0.020 0.000 1.035 309 T CA -0.013 62.095 62.100 0.013 0.000 0.941 309 T CB 0.251 69.125 68.868 0.011 0.000 1.026 309 T HN -0.090 8.150 8.240 -0.000 0.000 0.533 310 D N 2.632 123.042 120.400 0.016 0.000 2.697 310 D HA -0.119 4.518 4.640 -0.004 0.000 0.238 310 D C -0.021 176.285 176.300 0.010 0.000 1.152 310 D CA 1.564 55.586 54.000 0.035 0.000 0.666 310 D CB -1.557 39.291 40.800 0.080 0.000 1.037 310 D HN 0.804 9.174 8.370 -0.000 0.000 0.423 311 T N -3.093 111.448 114.554 -0.020 0.000 2.907 311 T HA 0.844 5.192 4.350 -0.004 0.000 0.292 311 T C -0.340 174.329 174.700 -0.051 0.000 1.043 311 T CA -0.466 61.630 62.100 -0.006 0.000 1.003 311 T CB 2.871 71.753 68.868 0.023 0.000 1.084 311 T HN 0.317 8.557 8.240 -0.000 0.000 0.483 312 A N 1.060 123.864 122.820 -0.027 0.000 2.475 312 A HA 0.827 5.145 4.320 -0.004 0.000 0.301 312 A C -0.850 176.772 177.584 0.062 0.000 1.059 312 A CA -0.797 51.208 52.037 -0.053 0.000 0.710 312 A CB 1.778 20.658 19.000 -0.201 0.000 1.288 312 A HN 0.946 9.096 8.150 -0.000 0.000 0.408 313 E N 1.082 121.368 120.200 0.143 0.000 2.317 313 E HA 0.704 5.052 4.350 -0.004 0.000 0.270 313 E C -1.645 175.128 176.600 0.288 0.000 0.885 313 E CA -0.544 55.979 56.400 0.204 0.000 0.760 313 E CB 1.717 31.593 29.700 0.294 0.000 1.227 313 E HN 0.603 8.963 8.360 -0.000 0.000 0.434 314 I N 3.276 123.908 120.570 0.103 0.000 2.498 314 I HA 0.532 4.699 4.170 -0.004 0.000 0.290 314 I C -0.370 175.595 176.117 -0.252 0.000 1.032 314 I CA -0.937 60.429 61.300 0.111 0.000 1.073 314 I CB 1.573 39.649 38.000 0.126 0.000 1.251 314 I HN 0.266 8.476 8.210 -0.000 0.000 0.426 315 R N 5.127 125.377 120.500 -0.417 0.000 2.808 315 R HA 0.626 4.964 4.340 -0.004 0.000 0.272 315 R C -1.026 175.184 176.300 -0.150 0.000 0.995 315 R CA -1.121 54.593 56.100 -0.643 0.000 0.917 315 R CB 1.969 31.343 30.300 -1.543 0.000 1.217 315 R HN 0.521 8.791 8.270 -0.000 0.000 0.471 316 L N 2.152 123.320 121.223 -0.092 0.000 2.461 316 L HA 0.286 4.624 4.340 -0.004 0.000 0.272 316 L C 0.941 177.880 176.870 0.115 0.000 1.197 316 L CA -0.013 54.853 54.840 0.043 0.000 0.836 316 L CB 0.180 42.236 42.059 -0.005 0.000 1.105 316 L HN 0.328 8.558 8.230 -0.000 0.000 0.477 317 M N 1.864 121.546 119.600 0.136 0.000 2.252 317 M HA -0.056 4.422 4.480 -0.004 0.000 0.348 317 M C 0.937 177.247 176.300 0.017 0.000 1.334 317 M CA 0.102 55.427 55.300 0.043 0.000 1.071 317 M CB 0.658 33.227 32.600 -0.053 0.000 1.763 317 M HN 0.777 9.067 8.290 -0.000 0.000 0.452 318 c N 2.317 120.914 118.600 -0.006 0.000 2.563 318 c HA 0.015 4.583 4.570 -0.004 0.000 0.268 318 c C 1.607 175.690 174.090 -0.013 0.000 1.365 318 c CA 0.310 56.642 56.329 0.006 0.000 1.754 318 c CB -0.437 42.076 42.510 0.006 0.000 1.932 318 c HN 0.893 9.123 8.230 -0.000 0.000 0.536 319 T N 1.251 115.752 114.554 -0.089 0.000 2.933 319 T HA -0.039 4.308 4.350 -0.004 0.000 0.306 319 T C 1.250 175.845 174.700 -0.175 0.000 1.045 319 T CA 0.883 62.890 62.100 -0.155 0.000 1.143 319 T CB 0.491 69.203 68.868 -0.261 0.000 1.003 319 T HN 0.785 9.025 8.240 -0.000 0.000 0.540 320 E N 2.294 122.334 120.200 -0.266 0.000 2.333 320 E HA -0.071 4.277 4.350 -0.004 0.000 0.198 320 E C 0.564 176.589 176.600 -0.958 0.000 1.007 320 E CA 0.865 56.943 56.400 -0.538 0.000 0.845 320 E CB -0.225 29.283 29.700 -0.319 0.000 0.766 320 E HN 0.536 8.896 8.360 -0.000 0.000 0.507 321 T N 2.369 116.557 114.554 -0.610 0.000 4.104 321 T HA 0.084 4.432 4.350 -0.004 0.000 0.285 321 T C -0.929 173.468 174.700 -0.505 0.000 1.346 321 T CA -0.411 61.334 62.100 -0.591 0.000 1.158 321 T CB -0.729 67.798 68.868 -0.568 0.000 1.290 321 T HN 0.094 8.334 8.240 -0.000 0.000 0.975 322 Y N 1.176 121.346 120.300 -0.217 0.000 2.620 322 Y HA 0.103 4.650 4.550 -0.005 0.000 0.330 322 Y C 1.225 177.010 175.900 -0.191 0.000 1.186 322 Y CA -1.113 56.878 58.100 -0.181 0.000 1.467 322 Y CB 0.052 38.439 38.460 -0.120 0.000 1.262 322 Y HN 0.421 8.701 8.280 -0.000 0.000 0.550 323 L N 1.376 122.582 121.223 -0.028 0.000 2.616 323 L HA 0.143 4.480 4.340 -0.004 0.000 0.229 323 L C 0.463 177.326 176.870 -0.012 0.000 1.110 323 L CA 0.087 54.882 54.840 -0.075 0.000 0.884 323 L CB 0.068 42.057 42.059 -0.117 0.000 1.115 323 L HN 0.582 8.812 8.230 -0.000 0.000 0.481 324 D N -0.160 120.242 120.400 0.002 0.000 2.387 324 D HA 0.284 4.922 4.640 -0.004 0.000 0.251 324 D C -0.411 175.884 176.300 -0.008 0.000 1.141 324 D CA 0.248 54.244 54.000 -0.006 0.000 0.987 324 D CB 1.347 42.132 40.800 -0.025 0.000 1.116 324 D HN -0.199 8.171 8.370 -0.000 0.000 0.491 325 T N 2.179 116.719 114.554 -0.022 0.000 2.937 325 T HA 0.460 4.807 4.350 -0.004 0.000 0.297 325 T C -2.539 172.126 174.700 -0.058 0.000 0.991 325 T CA -1.113 60.965 62.100 -0.036 0.000 0.990 325 T CB 1.972 70.814 68.868 -0.043 0.000 0.991 325 T HN 0.168 8.408 8.240 -0.000 0.000 0.440 326 P HA 0.516 4.936 4.420 -0.000 0.000 0.274 326 P C -0.500 176.777 177.300 -0.039 0.000 1.256 326 P CA -0.713 62.358 63.100 -0.050 0.000 0.795 326 P CB 0.624 32.291 31.700 -0.055 0.000 1.038 327 R N -0.633 119.855 120.500 -0.020 0.000 2.692 327 R HA 0.621 4.959 4.340 -0.004 0.000 0.269 327 R C -3.137 173.174 176.300 0.017 0.000 1.030 327 R CA -2.060 54.039 56.100 -0.002 0.000 0.882 327 R CB 0.766 31.098 30.300 0.054 0.000 1.250 327 R HN 0.158 8.428 8.270 -0.000 0.000 0.465 328 P HA 0.143 4.563 4.420 -0.000 0.000 0.277 328 P C -0.870 176.504 177.300 0.124 0.000 1.271 328 P CA -0.318 62.812 63.100 0.050 0.000 0.795 328 P CB 0.335 32.046 31.700 0.017 0.000 1.101 329 D N 0.097 120.550 120.400 0.088 0.000 2.478 329 D HA 0.012 4.650 4.640 -0.004 0.000 0.234 329 D C -0.110 176.249 176.300 0.099 0.000 1.154 329 D CA 0.743 54.784 54.000 0.068 0.000 0.874 329 D CB -0.341 40.481 40.800 0.036 0.000 1.198 329 D HN 0.234 8.604 8.370 -0.000 0.000 0.455 330 D N 0.429 120.802 120.400 -0.046 0.000 2.531 330 D HA 0.287 4.925 4.640 -0.004 0.000 0.239 330 D C 1.587 177.776 176.300 -0.185 0.000 1.144 330 D CA 1.217 55.046 54.000 -0.284 0.000 0.869 330 D CB 0.578 41.210 40.800 -0.281 0.000 1.160 330 D HN 0.584 8.954 8.370 -0.000 0.000 0.484 331 G N 1.820 110.463 108.800 -0.262 0.000 2.225 331 G HA2 -0.367 3.591 3.960 -0.004 0.000 0.254 331 G HA3 -0.367 3.591 3.960 -0.004 0.000 0.254 331 G C 1.228 176.201 174.900 0.121 0.000 0.988 331 G CA 0.799 45.879 45.100 -0.034 0.000 0.625 331 G HN 0.651 8.941 8.290 -0.000 0.000 0.527 332 S N -0.233 115.575 115.700 0.180 0.000 2.515 332 S HA 0.302 4.770 4.470 -0.004 0.000 0.231 332 S C 1.121 175.778 174.600 0.095 0.000 0.987 332 S CA 0.550 58.819 58.200 0.115 0.000 0.936 332 S CB -0.123 63.132 63.200 0.092 0.000 0.766 332 S HN 0.594 8.904 8.310 -0.000 0.000 0.528 333 I N 2.956 123.614 120.570 0.147 0.000 2.347 333 I HA 0.116 4.283 4.170 -0.004 0.000 0.294 333 I C 0.425 176.563 176.117 0.035 0.000 1.090 333 I CA -0.154 61.152 61.300 0.010 0.000 1.314 333 I CB 0.498 38.382 38.000 -0.193 0.000 1.423 333 I HN 0.034 8.244 8.210 -0.000 0.000 0.503 334 T N 5.029 119.587 114.554 0.007 0.000 2.918 334 T HA 0.476 4.824 4.350 -0.004 0.000 0.302 334 T C 0.509 175.206 174.700 -0.004 0.000 1.045 334 T CA 0.852 62.955 62.100 0.006 0.000 1.114 334 T CB 0.994 69.861 68.868 -0.002 0.000 0.965 334 T HN 1.025 9.265 8.240 -0.000 0.000 0.540 335 G N 4.182 112.982 108.800 -0.000 0.000 2.582 335 G HA2 -0.056 3.902 3.960 -0.004 0.000 0.222 335 G HA3 -0.056 3.902 3.960 -0.004 0.000 0.222 335 G C -2.780 172.118 174.900 -0.004 0.000 1.311 335 G CA -0.809 44.287 45.100 -0.007 0.000 0.915 335 G HN 0.750 9.040 8.290 -0.000 0.000 0.528 336 P HA 0.406 4.826 4.420 -0.000 0.000 0.275 336 P C 1.383 178.677 177.300 -0.010 0.000 1.270 336 P CA -0.011 63.083 63.100 -0.010 0.000 0.791 336 P CB 0.163 31.853 31.700 -0.016 0.000 1.089 337 c N -0.093 118.502 118.600 -0.009 0.000 2.403 337 c HA -0.122 4.446 4.570 -0.004 0.000 0.277 337 c C 2.269 176.344 174.090 -0.025 0.000 1.248 337 c CA 1.396 57.721 56.329 -0.006 0.000 1.762 337 c CB -1.407 41.103 42.510 0.000 0.000 2.014 337 c HN 0.700 8.930 8.230 -0.000 0.000 0.486 338 E N 1.002 121.177 120.200 -0.043 0.000 2.511 338 E HA -0.014 4.334 4.350 -0.004 0.000 0.196 338 E C 0.456 177.021 176.600 -0.058 0.000 1.066 338 E CA 0.373 56.735 56.400 -0.062 0.000 0.871 338 E CB -0.364 29.291 29.700 -0.076 0.000 0.863 338 E HN 0.424 8.784 8.360 -0.000 0.000 0.520 339 S N 2.271 117.941 115.700 -0.050 0.000 2.516 339 S HA 0.080 4.547 4.470 -0.004 0.000 0.282 339 S C 0.964 175.518 174.600 -0.076 0.000 1.286 339 S CA -0.463 57.703 58.200 -0.056 0.000 1.066 339 S CB 0.586 63.757 63.200 -0.047 0.000 0.884 339 S HN 0.266 8.576 8.310 -0.000 0.000 0.491 340 N N 2.647 121.304 118.700 -0.072 0.000 2.142 340 N HA 0.001 4.739 4.740 -0.004 0.000 0.186 340 N C 1.250 176.692 175.510 -0.114 0.000 1.023 340 N CA 1.026 54.031 53.050 -0.075 0.000 0.852 340 N CB -0.503 37.962 38.487 -0.036 0.000 0.998 340 N HN 0.857 9.237 8.380 -0.000 0.000 0.424 341 G N 1.461 110.202 108.800 -0.099 0.000 2.698 341 G HA2 -0.233 3.725 3.960 -0.004 0.000 0.233 341 G HA3 -0.233 3.725 3.960 -0.004 0.000 0.233 341 G C -0.796 174.048 174.900 -0.093 0.000 1.352 341 G CA 0.239 45.269 45.100 -0.115 0.000 0.879 341 G HN 0.476 8.766 8.290 -0.000 0.000 0.567 342 D N -0.704 119.637 120.400 -0.098 0.000 2.621 342 D HA 0.542 5.179 4.640 -0.004 0.000 0.255 342 D C 0.724 176.972 176.300 -0.086 0.000 1.122 342 D CA -0.346 53.611 54.000 -0.072 0.000 1.096 342 D CB 0.794 41.565 40.800 -0.048 0.000 1.282 342 D HN 1.101 9.471 8.370 -0.000 0.000 0.619 343 K N -1.345 119.016 120.400 -0.065 0.000 3.016 343 K HA -0.173 4.145 4.320 -0.004 0.000 0.262 343 K C 0.771 177.321 176.600 -0.083 0.000 1.043 343 K CA 0.732 56.980 56.287 -0.065 0.000 0.761 343 K CB -1.637 30.833 32.500 -0.050 0.000 1.230 343 K HN 0.676 8.926 8.250 -0.000 0.000 0.485 344 G N -0.343 108.402 108.800 -0.092 0.000 3.088 344 G HA2 0.020 3.977 3.960 -0.004 0.000 0.217 344 G HA3 0.020 3.977 3.960 -0.004 0.000 0.217 344 G C 0.112 174.936 174.900 -0.127 0.000 1.159 344 G CA 0.228 45.264 45.100 -0.106 0.000 0.760 344 G HN 0.279 8.569 8.290 -0.000 0.000 0.550 345 S N 0.359 115.986 115.700 -0.121 0.000 2.531 345 S HA 0.526 4.993 4.470 -0.004 0.000 0.279 345 S C 0.904 175.427 174.600 -0.129 0.000 1.305 345 S CA 0.763 58.875 58.200 -0.147 0.000 1.058 345 S CB 0.098 63.228 63.200 -0.117 0.000 0.899 345 S HN 1.470 9.780 8.310 -0.000 0.000 0.493 346 G N 2.859 111.571 108.800 -0.147 0.000 2.660 346 G HA2 0.363 4.321 3.960 -0.004 0.000 0.215 346 G HA3 0.363 4.321 3.960 -0.004 0.000 0.215 346 G C 0.065 174.902 174.900 -0.105 0.000 1.345 346 G CA -0.451 44.583 45.100 -0.111 0.000 0.877 346 G HN 1.905 10.195 8.290 -0.000 0.000 0.549 347 G N -1.858 106.901 108.800 -0.069 0.000 2.343 347 G HA2 0.605 4.562 3.960 -0.004 0.000 0.289 347 G HA3 0.605 4.562 3.960 -0.004 0.000 0.289 347 G C -1.501 173.396 174.900 -0.004 0.000 1.295 347 G CA 0.229 45.300 45.100 -0.049 0.000 0.869 347 G HN 1.946 10.236 8.290 -0.000 0.000 0.522 348 I N -0.244 120.327 120.570 0.002 0.000 2.842 348 I HA 0.476 4.644 4.170 -0.004 0.000 0.297 348 I C -0.377 175.686 176.117 -0.088 0.000 1.380 348 I CA -0.921 60.404 61.300 0.041 0.000 1.018 348 I CB 2.165 40.206 38.000 0.068 0.000 1.311 348 I HN 0.671 8.881 8.210 -0.000 0.000 0.439 349 K N 4.280 124.452 120.400 -0.382 0.000 2.412 349 K HA 0.445 4.762 4.320 -0.004 0.000 0.281 349 K C -0.258 176.297 176.600 -0.075 0.000 1.027 349 K CA 0.004 56.060 56.287 -0.385 0.000 0.989 349 K CB 0.867 32.850 32.500 -0.861 0.000 0.935 349 K HN 0.752 9.002 8.250 -0.000 0.000 0.475 350 G N 2.050 110.867 108.800 0.029 0.000 2.388 350 G HA2 0.494 4.452 3.960 -0.004 0.000 0.330 350 G HA3 0.494 4.452 3.960 -0.004 0.000 0.330 350 G C -0.393 174.634 174.900 0.213 0.000 1.142 350 G CA -0.871 44.307 45.100 0.129 0.000 0.908 350 G HN 0.725 9.015 8.290 -0.000 0.000 0.473 351 G N -0.674 108.266 108.800 0.232 0.000 2.444 351 G HA2 0.552 4.510 3.960 -0.004 0.000 0.268 351 G HA3 0.552 4.510 3.960 -0.004 0.000 0.268 351 G C -1.288 173.822 174.900 0.350 0.000 1.203 351 G CA -0.271 44.981 45.100 0.253 0.000 0.835 351 G HN 0.800 9.090 8.290 -0.000 0.000 0.543 352 F N 1.483 121.485 119.950 0.086 0.000 2.669 352 F HA 0.572 5.098 4.527 -0.003 0.000 0.315 352 F C -1.573 174.194 175.800 -0.055 0.000 1.109 352 F CA -1.118 56.852 58.000 -0.051 0.000 1.028 352 F CB 1.390 40.390 39.000 0.000 0.000 1.287 352 F HN 0.643 8.943 8.300 -0.000 0.000 0.452 353 V N 5.809 125.300 119.914 -0.705 0.000 3.048 353 V HA 0.472 4.590 4.120 -0.004 0.000 0.303 353 V C -1.508 174.238 176.094 -0.581 0.000 1.214 353 V CA -0.506 61.457 62.300 -0.561 0.000 0.984 353 V CB 2.325 34.073 31.823 -0.125 0.000 1.054 353 V HN 0.866 9.056 8.190 -0.000 0.000 0.430 354 H N 4.135 123.026 119.070 -0.297 0.000 2.487 354 H HA 0.389 4.943 4.556 -0.004 0.000 0.333 354 H C -0.607 174.777 175.328 0.093 0.000 1.114 354 H CA -0.312 55.685 56.048 -0.084 0.000 1.310 354 H CB 1.845 31.567 29.762 -0.067 0.000 1.462 354 H HN 0.643 8.923 8.280 -0.000 0.000 0.516 355 Q N 3.272 123.274 119.800 0.336 0.000 2.394 355 Q HA 0.237 4.574 4.340 -0.004 0.000 0.259 355 Q C -0.774 175.379 176.000 0.255 0.000 1.021 355 Q CA -0.732 55.262 55.803 0.319 0.000 0.805 355 Q CB 0.574 29.629 28.738 0.529 0.000 1.226 355 Q HN 0.540 8.810 8.270 -0.000 0.000 0.476 356 R N 4.101 124.707 120.500 0.178 0.000 2.204 356 R HA 0.362 4.699 4.340 -0.004 0.000 0.341 356 R C -0.447 175.918 176.300 0.108 0.000 1.035 356 R CA 0.091 56.268 56.100 0.129 0.000 0.887 356 R CB 0.749 31.099 30.300 0.082 0.000 1.114 356 R HN 0.533 8.803 8.270 -0.000 0.000 0.473 357 M N 0.621 120.290 119.600 0.115 0.000 2.706 357 M HA 0.346 4.824 4.480 -0.004 0.000 0.304 357 M C 1.314 177.649 176.300 0.059 0.000 1.217 357 M CA -0.449 54.903 55.300 0.087 0.000 0.922 357 M CB 1.535 34.195 32.600 0.101 0.000 1.637 357 M HN 0.608 8.898 8.290 -0.000 0.000 0.492 358 A N 0.318 123.162 122.820 0.040 0.000 1.986 358 A HA -0.121 4.197 4.320 -0.004 0.000 0.220 358 A C 1.528 179.127 177.584 0.025 0.000 1.171 358 A CA 2.269 54.321 52.037 0.025 0.000 0.640 358 A CB -0.642 18.368 19.000 0.016 0.000 0.811 358 A HN 0.857 9.007 8.150 -0.000 0.000 0.451 359 S N -2.765 112.954 115.700 0.030 0.000 3.082 359 S HA 0.446 4.913 4.470 -0.004 0.000 0.253 359 S C -0.286 174.336 174.600 0.038 0.000 0.961 359 S CA -0.124 58.092 58.200 0.027 0.000 1.129 359 S CB -0.021 63.188 63.200 0.015 0.000 1.083 359 S HN 0.535 8.845 8.310 -0.000 0.000 0.605 360 K N 0.672 121.108 120.400 0.060 0.000 2.557 360 K HA 0.580 4.897 4.320 -0.004 0.000 0.261 360 K C -2.250 174.432 176.600 0.137 0.000 0.932 360 K CA -0.748 55.594 56.287 0.090 0.000 0.829 360 K CB 1.970 34.514 32.500 0.073 0.000 1.358 360 K HN 0.225 8.475 8.250 -0.000 0.000 0.430 361 I N 2.250 122.915 120.570 0.160 0.000 2.404 361 I HA 0.530 4.698 4.170 -0.004 0.000 0.293 361 I C -0.379 175.867 176.117 0.215 0.000 0.992 361 I CA -0.085 61.326 61.300 0.185 0.000 1.149 361 I CB 1.738 39.833 38.000 0.157 0.000 1.315 361 I HN 0.669 8.879 8.210 -0.000 0.000 0.446 362 G N 6.975 115.904 108.800 0.215 0.000 2.343 362 G HA2 0.553 4.511 3.960 -0.004 0.000 0.319 362 G HA3 0.553 4.511 3.960 -0.004 0.000 0.319 362 G C -0.806 174.031 174.900 -0.105 0.000 1.126 362 G CA -0.736 44.333 45.100 -0.051 0.000 0.889 362 G HN 0.624 8.914 8.290 -0.000 0.000 0.457 363 R N 1.571 121.868 120.500 -0.339 0.000 2.360 363 R HA 0.301 4.638 4.340 -0.004 0.000 0.318 363 R C -1.350 174.609 176.300 -0.569 0.000 0.950 363 R CA -0.542 55.375 56.100 -0.306 0.000 0.837 363 R CB 1.807 32.083 30.300 -0.041 0.000 1.165 363 R HN 0.540 8.810 8.270 -0.000 0.000 0.458 364 W N 2.867 123.867 121.300 -0.500 0.000 2.520 364 W HA 0.421 5.079 4.660 -0.004 0.000 0.323 364 W C -0.379 175.881 176.519 -0.431 0.000 1.062 364 W CA -0.213 56.879 57.345 -0.421 0.000 1.215 364 W CB 0.882 30.044 29.460 -0.497 0.000 1.340 364 W HN 0.431 8.611 8.180 -0.000 0.000 0.516 365 Y N 0.797 121.233 120.300 0.226 0.000 2.581 365 Y HA 0.587 5.136 4.550 -0.002 0.000 0.345 365 Y C 0.172 176.186 175.900 0.188 0.000 1.036 365 Y CA -1.384 56.853 58.100 0.228 0.000 1.042 365 Y CB 2.146 40.694 38.460 0.148 0.000 1.289 365 Y HN 0.307 8.587 8.280 -0.000 0.000 0.471 366 S N 1.583 117.481 115.700 0.330 0.000 2.542 366 S HA 0.946 5.414 4.470 -0.004 0.000 0.293 366 S C -1.005 173.719 174.600 0.207 0.000 1.089 366 S CA -1.035 57.311 58.200 0.243 0.000 0.961 366 S CB 2.460 65.740 63.200 0.133 0.000 1.062 366 S HN 0.847 9.157 8.310 -0.000 0.000 0.483 367 R N -0.505 120.116 120.500 0.201 0.000 2.774 367 R HA 0.672 5.009 4.340 -0.004 0.000 0.272 367 R C -0.597 175.775 176.300 0.120 0.000 1.000 367 R CA -0.820 55.355 56.100 0.125 0.000 0.906 367 R CB 0.536 30.863 30.300 0.046 0.000 1.227 367 R HN 0.707 8.977 8.270 -0.000 0.000 0.468 368 T N -0.151 114.451 114.554 0.079 0.000 2.903 368 T HA 0.048 4.396 4.350 -0.004 0.000 0.314 368 T C 1.423 176.164 174.700 0.067 0.000 1.078 368 T CA -0.547 61.591 62.100 0.063 0.000 1.114 368 T CB 0.414 69.299 68.868 0.029 0.000 0.987 368 T HN 0.531 8.771 8.240 -0.000 0.000 0.548 369 M N 1.065 120.698 119.600 0.056 0.000 2.200 369 M HA 0.071 4.549 4.480 -0.004 0.000 0.265 369 M C 1.561 177.883 176.300 0.036 0.000 1.066 369 M CA 0.767 56.098 55.300 0.051 0.000 1.127 369 M CB -1.419 31.203 32.600 0.037 0.000 1.379 369 M HN 0.754 9.044 8.290 -0.000 0.000 0.420 370 S N 0.855 116.569 115.700 0.024 0.000 2.548 370 S HA 0.104 4.572 4.470 -0.004 0.000 0.277 370 S C 1.102 175.706 174.600 0.006 0.000 1.315 370 S CA -0.222 57.985 58.200 0.011 0.000 1.050 370 S CB 0.935 64.136 63.200 0.001 0.000 0.918 370 S HN 0.259 8.569 8.310 -0.000 0.000 0.497 371 K N 2.553 122.956 120.400 0.005 0.000 2.365 371 K HA -0.004 4.314 4.320 -0.004 0.000 0.199 371 K C 1.308 177.902 176.600 -0.011 0.000 1.045 371 K CA 1.173 57.462 56.287 0.004 0.000 0.962 371 K CB 0.061 32.568 32.500 0.011 0.000 0.759 371 K HN 0.559 8.809 8.250 -0.000 0.000 0.469 372 T N -0.043 114.500 114.554 -0.020 0.000 3.085 372 T HA 0.107 4.455 4.350 -0.004 0.000 0.241 372 T C 0.285 174.951 174.700 -0.056 0.000 0.988 372 T CA 0.301 62.381 62.100 -0.034 0.000 1.117 372 T CB 0.480 69.333 68.868 -0.025 0.000 0.978 372 T HN -0.021 8.219 8.240 -0.000 0.000 0.454 373 K N 1.264 121.632 120.400 -0.053 0.000 2.166 373 K HA 0.497 4.815 4.320 -0.004 0.000 0.245 373 K C -0.309 176.228 176.600 -0.105 0.000 0.967 373 K CA -0.668 55.572 56.287 -0.079 0.000 0.863 373 K CB 1.426 33.902 32.500 -0.041 0.000 1.107 373 K HN -0.066 8.184 8.250 -0.000 0.000 0.436 374 R N 1.761 122.140 120.500 -0.202 0.000 4.576 374 R HA 0.149 4.487 4.340 -0.004 0.000 0.185 374 R C -0.472 175.791 176.300 -0.061 0.000 1.837 374 R CA 0.131 56.062 56.100 -0.281 0.000 1.520 374 R CB -0.069 29.700 30.300 -0.886 0.000 1.403 374 R HN 0.199 8.469 8.270 -0.000 0.000 0.831 375 M N 0.614 120.215 119.600 0.001 0.000 2.253 375 M HA 0.379 4.857 4.480 -0.004 0.000 0.314 375 M C 0.464 176.796 176.300 0.053 0.000 1.019 375 M CA -0.512 54.822 55.300 0.055 0.000 0.932 375 M CB 1.571 34.195 32.600 0.040 0.000 1.606 375 M HN 0.540 8.830 8.290 -0.000 0.000 0.430 376 G N 2.912 111.753 108.800 0.069 0.000 2.814 376 G HA2 0.020 3.978 3.960 -0.004 0.000 0.677 376 G HA3 0.020 3.978 3.960 -0.004 0.000 0.677 376 G C -1.250 173.684 174.900 0.056 0.000 1.429 376 G CA -0.656 44.475 45.100 0.051 0.000 0.868 376 G HN 0.734 9.024 8.290 -0.000 0.000 0.553 377 M N 0.341 119.961 119.600 0.034 0.000 2.307 377 M HA 0.639 5.117 4.480 -0.004 0.000 0.279 377 M C -0.113 176.179 176.300 -0.014 0.000 1.080 377 M CA 0.493 55.812 55.300 0.031 0.000 0.964 377 M CB 1.680 34.299 32.600 0.031 0.000 1.825 377 M HN 1.947 10.237 8.290 -0.000 0.000 0.489 378 G N 3.070 111.886 108.800 0.028 0.000 2.448 378 G HA2 0.698 4.656 3.960 -0.004 0.000 0.324 378 G HA3 0.698 4.656 3.960 -0.004 0.000 0.324 378 G C -2.220 172.662 174.900 -0.030 0.000 1.203 378 G CA -0.668 44.408 45.100 -0.041 0.000 0.954 378 G HN 0.776 9.066 8.290 -0.000 0.000 0.480 379 L N 0.981 122.097 121.223 -0.180 0.000 2.309 379 L HA 0.764 5.102 4.340 -0.004 0.000 0.282 379 L C -1.354 175.378 176.870 -0.231 0.000 1.036 379 L CA -0.871 53.911 54.840 -0.098 0.000 0.806 379 L CB 1.002 42.983 42.059 -0.129 0.000 1.220 379 L HN 0.520 8.750 8.230 -0.000 0.000 0.429 380 Y N 3.233 123.559 120.300 0.044 0.000 2.536 380 Y HA 0.754 5.302 4.550 -0.003 0.000 0.347 380 Y C -0.402 175.418 175.900 -0.133 0.000 1.000 380 Y CA -0.849 57.244 58.100 -0.012 0.000 1.051 380 Y CB 2.269 40.736 38.460 0.013 0.000 1.259 380 Y HN 0.425 8.705 8.280 -0.000 0.000 0.468 381 V N 0.247 120.039 119.914 -0.205 0.000 2.962 381 V HA 0.788 4.905 4.120 -0.004 0.000 0.313 381 V C -1.199 174.641 176.094 -0.424 0.000 1.099 381 V CA -1.209 60.687 62.300 -0.674 0.000 0.971 381 V CB 1.912 32.924 31.823 -1.352 0.000 1.028 381 V HN 0.655 8.845 8.190 -0.000 0.000 0.430 382 K N 1.641 121.731 120.400 -0.517 0.000 2.535 382 K HA 0.607 4.925 4.320 -0.004 0.000 0.250 382 K C -2.026 174.282 176.600 -0.487 0.000 0.948 382 K CA -0.453 55.636 56.287 -0.329 0.000 0.796 382 K CB 1.625 34.070 32.500 -0.091 0.000 1.216 382 K HN 0.664 8.914 8.250 -0.000 0.000 0.432 383 Y N 3.342 123.582 120.300 -0.100 0.000 2.323 383 Y HA 0.280 4.827 4.550 -0.004 0.000 0.331 383 Y C 0.665 176.550 175.900 -0.025 0.000 1.092 383 Y CA 0.094 58.159 58.100 -0.059 0.000 1.150 383 Y CB 0.886 39.316 38.460 -0.050 0.000 1.200 383 Y HN 0.815 9.095 8.280 -0.000 0.000 0.472 384 D N 0.492 120.972 120.400 0.132 0.000 3.254 384 D HA -0.238 4.400 4.640 -0.004 0.000 0.216 384 D C 0.817 177.133 176.300 0.028 0.000 1.556 384 D CA 1.721 55.767 54.000 0.077 0.000 1.105 384 D CB -0.912 39.934 40.800 0.076 0.000 0.682 384 D HN 1.080 9.450 8.370 -0.000 0.000 0.810 385 G N 0.531 109.338 108.800 0.012 0.000 2.645 385 G HA2 -0.002 3.955 3.960 -0.004 0.000 0.246 385 G HA3 -0.002 3.955 3.960 -0.004 0.000 0.246 385 G C -0.817 174.053 174.900 -0.049 0.000 1.322 385 G CA 0.817 45.906 45.100 -0.017 0.000 0.898 385 G HN 0.972 9.262 8.290 -0.000 0.000 0.573 386 D N -0.276 120.075 120.400 -0.082 0.000 2.478 386 D HA 0.537 5.174 4.640 -0.004 0.000 0.240 386 D C -1.512 174.669 176.300 -0.199 0.000 1.364 386 D CA -1.651 52.262 54.000 -0.144 0.000 0.987 386 D CB 1.584 42.337 40.800 -0.077 0.000 1.328 386 D HN 0.013 8.383 8.370 -0.000 0.000 0.584 387 P HA -0.072 4.348 4.420 -0.000 0.000 0.220 387 P C 1.091 178.262 177.300 -0.215 0.000 1.144 387 P CA 0.754 63.557 63.100 -0.494 0.000 0.800 387 P CB 0.109 31.076 31.700 -1.221 0.000 0.772 388 W N -0.092 121.054 121.300 -0.256 0.000 2.467 388 W HA 0.030 4.687 4.660 -0.004 0.000 0.275 388 W C 1.831 178.297 176.519 -0.088 0.000 1.239 388 W CA 1.890 59.160 57.345 -0.125 0.000 1.266 388 W CB -1.772 27.658 29.460 -0.049 0.000 1.112 388 W HN 0.148 8.329 8.180 -0.000 0.000 0.576 389 T N -4.478 110.152 114.554 0.127 0.000 3.004 389 T HA 0.096 4.444 4.350 -0.004 0.000 0.266 389 T C -0.062 174.645 174.700 0.011 0.000 0.986 389 T CA -0.181 61.959 62.100 0.067 0.000 0.902 389 T CB 0.105 69.016 68.868 0.071 0.000 1.118 389 T HN -0.331 7.909 8.240 -0.000 0.000 0.522 390 D N 2.981 123.367 120.400 -0.023 0.000 2.339 390 D HA 0.322 4.960 4.640 -0.004 0.000 0.241 390 D C 1.113 177.380 176.300 -0.055 0.000 1.183 390 D CA -0.030 53.942 54.000 -0.046 0.000 0.859 390 D CB 1.677 42.433 40.800 -0.073 0.000 1.067 390 D HN 0.424 8.794 8.370 -0.000 0.000 0.484 391 S N 0.891 116.566 115.700 -0.042 0.000 2.524 391 S HA -0.063 4.405 4.470 -0.004 0.000 0.216 391 S C 0.602 175.160 174.600 -0.070 0.000 0.987 391 S CA -0.442 57.731 58.200 -0.045 0.000 0.909 391 S CB -0.097 63.089 63.200 -0.024 0.000 0.781 391 S HN 0.464 8.774 8.310 -0.000 0.000 0.521 392 D N 2.523 122.882 120.400 -0.069 0.000 2.363 392 D HA 0.436 5.074 4.640 -0.004 0.000 0.240 392 D C 0.224 176.459 176.300 -0.108 0.000 1.236 392 D CA -0.275 53.681 54.000 -0.074 0.000 0.927 392 D CB 0.411 41.181 40.800 -0.051 0.000 1.150 392 D HN 0.272 8.642 8.370 -0.000 0.000 0.458 393 A N 0.555 123.314 122.820 -0.102 0.000 2.407 393 A HA 0.369 4.687 4.320 -0.004 0.000 0.248 393 A C -0.022 177.500 177.584 -0.102 0.000 1.082 393 A CA -0.665 51.296 52.037 -0.128 0.000 0.785 393 A CB 0.011 18.955 19.000 -0.093 0.000 1.020 393 A HN 0.471 8.621 8.150 -0.000 0.000 0.489 394 L N 1.069 122.209 121.223 -0.138 0.000 2.467 394 L HA 0.375 4.713 4.340 -0.004 0.000 0.270 394 L C 1.030 177.969 176.870 0.115 0.000 1.205 394 L CA 0.418 55.230 54.840 -0.046 0.000 0.828 394 L CB 0.405 42.390 42.059 -0.123 0.000 1.101 394 L HN 0.766 8.996 8.230 -0.000 0.000 0.479 395 A N 4.236 127.109 122.820 0.090 0.000 2.309 395 A HA 0.354 4.671 4.320 -0.004 0.000 0.290 395 A C -0.119 177.482 177.584 0.029 0.000 1.206 395 A CA -0.486 51.589 52.037 0.063 0.000 0.850 395 A CB -0.114 18.885 19.000 -0.002 0.000 1.118 395 A HN 0.764 8.914 8.150 -0.000 0.000 0.523 396 L N 3.515 124.693 121.223 -0.075 0.000 2.513 396 L HA 0.175 4.512 4.340 -0.004 0.000 0.272 396 L C 1.203 177.902 176.870 -0.285 0.000 1.187 396 L CA 0.507 55.049 54.840 -0.497 0.000 0.895 396 L CB 1.169 43.035 42.059 -0.321 0.000 1.147 396 L HN 0.822 9.052 8.230 -0.000 0.000 0.483 397 S N 3.138 118.650 115.700 -0.314 0.000 2.527 397 S HA 0.445 4.913 4.470 -0.004 0.000 0.227 397 S C 0.365 174.938 174.600 -0.045 0.000 1.059 397 S CA 0.340 58.492 58.200 -0.080 0.000 0.919 397 S CB 0.292 63.532 63.200 0.067 0.000 0.805 397 S HN 0.989 9.299 8.310 -0.000 0.000 0.500 398 G N 0.041 108.765 108.800 -0.127 0.000 2.368 398 G HA2 0.432 4.389 3.960 -0.004 0.000 0.293 398 G HA3 0.432 4.389 3.960 -0.004 0.000 0.293 398 G C -1.919 172.907 174.900 -0.124 0.000 1.467 398 G CA -0.465 44.591 45.100 -0.074 0.000 0.804 398 G HN 0.245 8.535 8.290 -0.000 0.000 0.535 399 V N 2.098 121.969 119.914 -0.070 0.000 2.368 399 V HA 0.255 4.372 4.120 -0.004 0.000 0.266 399 V C 1.212 177.245 176.094 -0.102 0.000 1.045 399 V CA -0.067 62.188 62.300 -0.075 0.000 0.899 399 V CB 0.936 32.744 31.823 -0.025 0.000 1.006 399 V HN 0.786 8.976 8.190 -0.000 0.000 0.470 400 M N 4.059 123.522 119.600 -0.229 0.000 2.287 400 M HA 0.130 4.607 4.480 -0.004 0.000 0.266 400 M C 0.065 176.292 176.300 -0.121 0.000 1.079 400 M CA 1.249 56.284 55.300 -0.442 0.000 1.146 400 M CB 0.358 32.460 32.600 -0.830 0.000 1.374 400 M HN 0.428 8.718 8.290 -0.000 0.000 0.435 401 V N 0.687 120.560 119.914 -0.067 0.000 2.577 401 V HA 0.252 4.370 4.120 -0.004 0.000 0.303 401 V C -0.030 176.066 176.094 0.003 0.000 1.042 401 V CA -1.106 61.195 62.300 0.001 0.000 0.872 401 V CB 1.752 33.595 31.823 0.034 0.000 0.998 401 V HN 0.379 8.569 8.190 -0.000 0.000 0.423 402 S N 4.442 120.144 115.700 0.005 0.000 2.600 402 S HA 0.256 4.724 4.470 -0.004 0.000 0.265 402 S C 1.077 175.689 174.600 0.019 0.000 1.325 402 S CA -0.048 58.156 58.200 0.007 0.000 1.002 402 S CB 0.766 63.965 63.200 -0.001 0.000 0.921 402 S HN 0.773 9.083 8.310 -0.000 0.000 0.554 403 M N 0.570 120.182 119.600 0.019 0.000 2.358 403 M HA 0.035 4.513 4.480 -0.004 0.000 0.264 403 M C 1.365 177.681 176.300 0.027 0.000 1.064 403 M CA 1.638 56.953 55.300 0.024 0.000 1.093 403 M CB -0.715 31.898 32.600 0.020 0.000 1.401 403 M HN 0.844 9.134 8.290 -0.000 0.000 0.440 404 E N 0.087 120.300 120.200 0.022 0.000 2.478 404 E HA 0.049 4.397 4.350 -0.004 0.000 0.194 404 E C -0.102 176.516 176.600 0.030 0.000 1.045 404 E CA 0.275 56.688 56.400 0.023 0.000 0.868 404 E CB 0.231 29.939 29.700 0.013 0.000 0.885 404 E HN 0.433 8.793 8.360 -0.000 0.000 0.505 405 E N 0.957 121.178 120.200 0.035 0.000 2.202 405 E HA 0.240 4.588 4.350 -0.004 0.000 0.272 405 E C -2.468 174.179 176.600 0.080 0.000 0.951 405 E CA -2.633 53.794 56.400 0.045 0.000 0.813 405 E CB 1.156 30.875 29.700 0.032 0.000 1.151 405 E HN -0.081 8.279 8.360 -0.000 0.000 0.398 406 P HA 0.090 4.510 4.420 -0.000 0.000 0.267 406 P C -0.330 177.116 177.300 0.244 0.000 1.205 406 P CA -0.128 63.096 63.100 0.208 0.000 0.765 406 P CB 0.490 32.253 31.700 0.105 0.000 0.828 407 G N 2.376 111.374 108.800 0.330 0.000 2.782 407 G HA2 0.418 4.376 3.960 -0.004 0.000 0.289 407 G HA3 0.418 4.376 3.960 -0.004 0.000 0.289 407 G C -0.976 174.134 174.900 0.351 0.000 1.463 407 G CA -0.412 44.852 45.100 0.273 0.000 1.019 407 G HN 0.362 8.652 8.290 -0.000 0.000 0.536 408 W N 0.970 122.332 121.300 0.102 0.000 3.707 408 W HA 0.514 5.173 4.660 -0.001 0.000 0.644 408 W C 0.131 176.842 176.519 0.319 0.000 2.841 408 W CA -0.503 56.934 57.345 0.153 0.000 1.040 408 W CB -0.373 29.119 29.460 0.052 0.000 2.755 408 W HN 0.304 8.484 8.180 -0.000 0.000 0.544 409 Y N 1.705 122.268 120.300 0.437 0.000 2.457 409 Y HA 0.332 4.880 4.550 -0.004 0.000 0.341 409 Y C 0.734 176.846 175.900 0.353 0.000 1.240 409 Y CA -1.008 57.303 58.100 0.353 0.000 1.437 409 Y CB 0.104 38.795 38.460 0.384 0.000 1.328 409 Y HN 0.039 8.319 8.280 -0.000 0.000 0.588 410 S N 2.435 118.401 115.700 0.443 0.000 2.588 410 S HA 0.903 5.371 4.470 -0.004 0.000 0.275 410 S C -1.286 173.533 174.600 0.365 0.000 1.130 410 S CA -0.899 57.477 58.200 0.293 0.000 0.855 410 S CB 2.264 65.553 63.200 0.147 0.000 1.116 410 S HN 0.518 8.828 8.310 -0.000 0.000 0.472 411 F N -1.738 118.388 119.950 0.292 0.000 2.678 411 F HA 0.890 5.415 4.527 -0.004 0.000 0.308 411 F C -0.175 175.827 175.800 0.336 0.000 1.118 411 F CA -0.902 57.275 58.000 0.296 0.000 0.959 411 F CB 0.856 40.054 39.000 0.331 0.000 1.305 411 F HN 0.903 9.203 8.300 -0.000 0.000 0.443 412 G N 0.736 109.820 108.800 0.474 0.000 2.434 412 G HA2 0.742 4.700 3.960 -0.004 0.000 0.330 412 G HA3 0.742 4.700 3.960 -0.004 0.000 0.330 412 G C -1.691 173.573 174.900 0.606 0.000 1.155 412 G CA -0.859 44.456 45.100 0.358 0.000 0.917 412 G HN 1.129 9.419 8.290 -0.000 0.000 0.493 413 F N -1.795 118.316 119.950 0.269 0.000 2.779 413 F HA 0.792 5.316 4.527 -0.004 0.000 0.316 413 F C -1.107 174.793 175.800 0.166 0.000 1.164 413 F CA -1.367 56.788 58.000 0.259 0.000 0.924 413 F CB 1.908 41.122 39.000 0.357 0.000 1.348 413 F HN 0.484 8.784 8.300 -0.000 0.000 0.467 414 E N 1.531 121.880 120.200 0.248 0.000 2.241 414 E HA 0.558 4.906 4.350 -0.004 0.000 0.263 414 E C -1.337 175.374 176.600 0.185 0.000 0.882 414 E CA -0.679 55.770 56.400 0.082 0.000 0.769 414 E CB 1.949 31.718 29.700 0.115 0.000 1.185 414 E HN 0.609 8.969 8.360 -0.000 0.000 0.415 415 I N 3.703 124.329 120.570 0.094 0.000 2.474 415 I HA 0.176 4.343 4.170 -0.004 0.000 0.287 415 I C 0.193 176.345 176.117 0.059 0.000 1.048 415 I CA -0.563 60.808 61.300 0.119 0.000 1.383 415 I CB 0.664 38.716 38.000 0.086 0.000 1.412 415 I HN 0.165 8.375 8.210 -0.000 0.000 0.531 416 K N 4.913 125.350 120.400 0.061 0.000 2.250 416 K HA 0.235 4.553 4.320 -0.004 0.000 0.280 416 K C -0.482 176.129 176.600 0.018 0.000 1.098 416 K CA -0.448 55.859 56.287 0.033 0.000 0.916 416 K CB 0.661 33.177 32.500 0.027 0.000 1.209 416 K HN 0.489 8.739 8.250 -0.000 0.000 0.461 417 D N 1.750 122.154 120.400 0.006 0.000 2.356 417 D HA 0.029 4.667 4.640 -0.004 0.000 0.258 417 D C 1.125 177.426 176.300 0.002 0.000 1.279 417 D CA -0.120 53.880 54.000 -0.001 0.000 1.016 417 D CB 0.911 41.704 40.800 -0.012 0.000 1.107 417 D HN 0.028 8.398 8.370 -0.000 0.000 0.544 418 K N 0.077 120.477 120.400 -0.001 0.000 2.057 418 K HA -0.019 4.299 4.320 -0.004 0.000 0.206 418 K C 1.165 177.765 176.600 0.001 0.000 1.050 418 K CA 1.368 57.654 56.287 -0.000 0.000 0.935 418 K CB -0.066 32.432 32.500 -0.003 0.000 0.715 418 K HN 0.376 8.626 8.250 -0.000 0.000 0.439 419 K N -0.505 119.895 120.400 -0.000 0.000 2.438 419 K HA 0.141 4.459 4.320 -0.004 0.000 0.206 419 K C 0.501 177.102 176.600 0.002 0.000 1.081 419 K CA 0.055 56.342 56.287 0.001 0.000 1.053 419 K CB 0.792 33.291 32.500 -0.002 0.000 0.908 419 K HN 0.261 8.511 8.250 -0.000 0.000 0.556 420 c N -0.822 117.779 118.600 0.002 0.000 3.311 420 c HA 0.568 5.136 4.570 -0.004 0.000 0.325 420 c C -1.752 172.339 174.090 0.002 0.000 1.352 420 c CA -1.238 55.093 56.329 0.003 0.000 1.308 420 c CB 1.470 43.980 42.510 -0.001 0.000 1.619 420 c HN 0.075 8.305 8.230 -0.000 0.000 0.469 421 D N 1.287 121.689 120.400 0.004 0.000 2.217 421 D HA 0.533 5.170 4.640 -0.004 0.000 0.243 421 D C -0.368 175.914 176.300 -0.031 0.000 1.054 421 D CA -0.168 53.834 54.000 0.003 0.000 0.838 421 D CB 1.976 42.792 40.800 0.026 0.000 1.162 421 D HN 0.559 8.929 8.370 -0.000 0.000 0.472 422 V N 4.440 124.316 119.914 -0.064 0.000 2.368 422 V HA 0.288 4.405 4.120 -0.004 0.000 0.266 422 V C -2.004 173.958 176.094 -0.221 0.000 1.045 422 V CA -1.443 60.768 62.300 -0.149 0.000 0.899 422 V CB 0.955 32.682 31.823 -0.161 0.000 1.006 422 V HN 0.403 8.593 8.190 -0.000 0.000 0.470 423 P HA 0.385 4.805 4.420 -0.000 0.000 0.279 423 P C -0.824 176.135 177.300 -0.568 0.000 1.239 423 P CA -0.218 62.704 63.100 -0.296 0.000 0.789 423 P CB 1.266 32.881 31.700 -0.141 0.000 0.933 424 c N 3.277 121.534 118.600 -0.571 0.000 2.994 424 c HA 0.615 5.182 4.570 -0.004 0.000 0.304 424 c C -0.202 173.711 174.090 -0.296 0.000 1.273 424 c CA -0.591 55.363 56.329 -0.625 0.000 1.537 424 c CB 1.750 43.581 42.510 -1.132 0.000 2.001 424 c HN 0.450 8.680 8.230 -0.000 0.000 0.471 425 I N 1.854 122.429 120.570 0.009 0.000 2.433 425 I HA 0.574 4.742 4.170 -0.004 0.000 0.292 425 I C 0.510 176.634 176.117 0.012 0.000 1.001 425 I CA 0.349 61.671 61.300 0.036 0.000 1.119 425 I CB 1.317 39.362 38.000 0.075 0.000 1.289 425 I HN 0.922 9.132 8.210 -0.000 0.000 0.438 426 G N 6.338 114.899 108.800 -0.399 0.000 2.417 426 G HA2 0.792 4.750 3.960 -0.004 0.000 0.334 426 G HA3 0.792 4.750 3.960 -0.004 0.000 0.334 426 G C -0.913 173.549 174.900 -0.729 0.000 1.150 426 G CA -0.442 44.230 45.100 -0.715 0.000 0.923 426 G HN 0.458 8.748 8.290 -0.000 0.000 0.485 427 I N 0.682 121.164 120.570 -0.147 0.000 2.447 427 I HA 0.260 4.427 4.170 -0.004 0.000 0.287 427 I C -0.021 176.241 176.117 0.242 0.000 1.023 427 I CA -0.655 60.691 61.300 0.076 0.000 1.083 427 I CB 2.354 40.418 38.000 0.107 0.000 1.245 427 I HN 0.517 8.727 8.210 -0.000 0.000 0.434 428 E N 7.613 128.033 120.200 0.367 0.000 2.259 428 E HA 0.335 4.682 4.350 -0.004 0.000 0.281 428 E C -1.052 175.665 176.600 0.195 0.000 1.037 428 E CA -0.382 56.211 56.400 0.322 0.000 0.854 428 E CB 0.872 30.802 29.700 0.384 0.000 1.051 428 E HN 0.551 8.911 8.360 -0.000 0.000 0.409 429 M N 5.104 124.728 119.600 0.041 0.000 2.065 429 M HA 0.226 4.704 4.480 -0.004 0.000 0.332 429 M C -0.967 175.067 176.300 -0.443 0.000 0.988 429 M CA -0.745 54.500 55.300 -0.092 0.000 0.944 429 M CB 1.563 34.135 32.600 -0.047 0.000 1.357 429 M HN 0.228 8.518 8.290 -0.000 0.000 0.388 430 V N 2.178 121.663 119.914 -0.715 0.000 2.583 430 V HA 0.072 4.190 4.120 -0.004 0.000 0.287 430 V C -0.025 175.500 176.094 -0.949 0.000 1.051 430 V CA -0.268 61.371 62.300 -1.102 0.000 1.010 430 V CB 0.570 31.147 31.823 -2.077 0.000 0.988 430 V HN 0.637 8.827 8.190 -0.000 0.000 0.478 431 H N 2.550 121.283 119.070 -0.563 0.000 2.846 431 H HA 0.356 4.910 4.556 -0.004 0.000 0.278 431 H C -0.555 174.394 175.328 -0.632 0.000 1.117 431 H CA -0.302 55.441 56.048 -0.508 0.000 1.406 431 H CB 0.294 29.767 29.762 -0.481 0.000 1.445 431 H HN 0.569 8.849 8.280 -0.000 0.000 0.469 432 D N 2.534 122.739 120.400 -0.325 0.000 2.461 432 D HA 0.246 4.883 4.640 -0.004 0.000 0.240 432 D C 0.599 176.832 176.300 -0.112 0.000 1.094 432 D CA -0.620 53.299 54.000 -0.135 0.000 0.868 432 D CB 0.794 41.633 40.800 0.066 0.000 1.062 432 D HN 0.734 9.104 8.370 -0.000 0.000 0.530 433 G N 2.128 110.819 108.800 -0.181 0.000 3.774 433 G HA2 0.534 4.491 3.960 -0.004 0.000 0.287 433 G HA3 0.534 4.491 3.960 -0.004 0.000 0.287 433 G C 0.755 175.588 174.900 -0.112 0.000 1.030 433 G CA 0.073 45.071 45.100 -0.171 0.000 0.824 433 G HN 0.852 9.142 8.290 -0.000 0.000 0.518 434 G N 1.158 109.921 108.800 -0.063 0.000 2.741 434 G HA2 -0.240 3.717 3.960 -0.004 0.000 0.222 434 G HA3 -0.240 3.717 3.960 -0.004 0.000 0.222 434 G C 0.887 175.722 174.900 -0.110 0.000 1.364 434 G CA 0.163 45.221 45.100 -0.071 0.000 0.866 434 G HN 0.839 9.129 8.290 -0.000 0.000 0.555 435 K N -0.378 119.965 120.400 -0.095 0.000 2.432 435 K HA 0.153 4.471 4.320 -0.004 0.000 0.196 435 K C 1.331 177.907 176.600 -0.041 0.000 1.038 435 K CA 1.750 57.983 56.287 -0.091 0.000 0.986 435 K CB 0.168 32.623 32.500 -0.074 0.000 0.782 435 K HN 0.424 8.674 8.250 -0.000 0.000 0.485 436 E N 1.544 121.725 120.200 -0.032 0.000 2.489 436 E HA 0.004 4.352 4.350 -0.004 0.000 0.193 436 E C 0.352 176.970 176.600 0.031 0.000 1.057 436 E CA 0.577 56.981 56.400 0.006 0.000 0.866 436 E CB 0.503 30.205 29.700 0.003 0.000 0.916 436 E HN 0.527 8.887 8.360 -0.000 0.000 0.500 437 T N -2.130 112.403 114.554 -0.035 0.000 2.858 437 T HA 0.394 4.742 4.350 -0.004 0.000 0.285 437 T C 0.348 174.951 174.700 -0.162 0.000 1.052 437 T CA -1.190 60.860 62.100 -0.084 0.000 1.009 437 T CB 1.165 69.856 68.868 -0.295 0.000 1.241 437 T HN 0.190 8.430 8.240 -0.000 0.000 0.542 438 W N 0.813 121.846 121.300 -0.445 0.000 2.148 438 W HA 0.343 5.001 4.660 -0.003 0.000 0.347 438 W C -0.471 175.918 176.519 -0.216 0.000 1.288 438 W CA -0.295 56.746 57.345 -0.507 0.000 1.252 438 W CB -0.406 28.449 29.460 -1.009 0.000 1.156 438 W HN 0.769 8.949 8.180 -0.000 0.000 0.580 439 H N 1.682 120.729 119.070 -0.038 0.000 2.970 439 H HA 0.343 4.897 4.556 -0.004 0.000 0.315 439 H C -1.210 174.130 175.328 0.020 0.000 0.992 439 H CA -0.011 55.950 56.048 -0.146 0.000 1.363 439 H CB 1.792 31.459 29.762 -0.157 0.000 1.532 439 H HN 0.517 8.797 8.280 -0.000 0.000 0.514 440 S N 2.826 118.426 115.700 -0.168 0.000 2.819 440 S HA 0.885 5.353 4.470 -0.004 0.000 0.299 440 S C -1.635 172.912 174.600 -0.088 0.000 1.192 440 S CA 0.017 58.205 58.200 -0.020 0.000 0.847 440 S CB 1.790 65.025 63.200 0.058 0.000 1.224 440 S HN 0.810 9.120 8.310 -0.000 0.000 0.537 441 A N 0.257 123.145 122.820 0.113 0.000 2.574 441 A HA 0.866 5.184 4.320 -0.004 0.000 0.297 441 A C -0.588 177.112 177.584 0.193 0.000 1.062 441 A CA -0.111 51.893 52.037 -0.055 0.000 0.686 441 A CB 1.054 19.977 19.000 -0.129 0.000 1.285 441 A HN 1.354 9.504 8.150 -0.000 0.000 0.403 442 A N 0.530 123.397 122.820 0.078 0.000 2.264 442 A HA 0.822 5.140 4.320 -0.004 0.000 0.304 442 A C 0.140 177.816 177.584 0.152 0.000 1.100 442 A CA -0.211 51.932 52.037 0.177 0.000 0.839 442 A CB 0.414 19.509 19.000 0.158 0.000 1.121 442 A HN 0.989 9.139 8.150 -0.000 0.000 0.496 443 T N 1.016 115.689 114.554 0.199 0.000 2.812 443 T HA 0.633 4.981 4.350 -0.004 0.000 0.282 443 T C -0.214 174.574 174.700 0.147 0.000 0.990 443 T CA 0.088 62.318 62.100 0.217 0.000 0.960 443 T CB 1.465 70.490 68.868 0.262 0.000 0.948 443 T HN 1.092 9.332 8.240 -0.000 0.000 0.438 444 A N 3.266 126.183 122.820 0.161 0.000 2.324 444 A HA 0.876 5.194 4.320 -0.004 0.000 0.330 444 A C -0.711 176.985 177.584 0.186 0.000 1.165 444 A CA -0.682 51.453 52.037 0.163 0.000 0.813 444 A CB 0.317 19.451 19.000 0.224 0.000 1.197 444 A HN 0.787 8.937 8.150 -0.000 0.000 0.484 445 I N 1.253 121.911 120.570 0.147 0.000 2.466 445 I HA 0.408 4.575 4.170 -0.004 0.000 0.289 445 I C -1.306 174.825 176.117 0.023 0.000 1.026 445 I CA -0.026 61.378 61.300 0.173 0.000 1.078 445 I CB 1.698 39.811 38.000 0.189 0.000 1.249 445 I HN 0.614 8.824 8.210 -0.000 0.000 0.429 446 Y N 4.225 124.565 120.300 0.067 0.000 2.391 446 Y HA 0.658 5.206 4.550 -0.003 0.000 0.341 446 Y C -0.308 175.552 175.900 -0.066 0.000 0.965 446 Y CA -0.484 57.652 58.100 0.059 0.000 1.067 446 Y CB 2.014 40.567 38.460 0.156 0.000 1.199 446 Y HN 0.502 8.782 8.280 -0.000 0.000 0.450 447 c N 3.098 121.573 118.600 -0.208 0.000 2.889 447 c HA 0.454 5.022 4.570 -0.004 0.000 0.307 447 c C -0.415 173.018 174.090 -1.096 0.000 1.251 447 c CA -1.196 54.716 56.329 -0.695 0.000 1.593 447 c CB 1.730 43.975 42.510 -0.441 0.000 2.104 447 c HN 0.782 9.012 8.230 -0.000 0.000 0.476 448 L N 3.872 124.047 121.223 -1.747 0.000 2.534 448 L HA 0.405 4.742 4.340 -0.004 0.000 0.271 448 L C -0.087 176.486 176.870 -0.496 0.000 1.178 448 L CA 1.357 55.502 54.840 -1.157 0.000 0.907 448 L CB -0.096 41.430 42.059 -0.888 0.000 1.164 448 L HN 0.798 9.028 8.230 -0.000 0.000 0.482 449 M N 4.617 124.053 119.600 -0.273 0.000 2.296 449 M HA 0.642 5.119 4.480 -0.004 0.000 0.268 449 M C 0.107 176.374 176.300 -0.055 0.000 1.048 449 M CA -0.155 55.060 55.300 -0.143 0.000 0.966 449 M CB 1.108 33.625 32.600 -0.139 0.000 1.912 449 M HN 0.807 9.097 8.290 -0.000 0.000 0.484 450 G N 2.839 111.621 108.800 -0.029 0.000 2.601 450 G HA2 -0.138 3.819 3.960 -0.004 0.000 0.261 450 G HA3 -0.138 3.819 3.960 -0.004 0.000 0.261 450 G C -0.593 174.331 174.900 0.039 0.000 1.289 450 G CA -0.004 45.099 45.100 0.004 0.000 0.920 450 G HN 1.264 9.554 8.290 -0.000 0.000 0.571 451 S N -0.515 115.212 115.700 0.044 0.000 2.726 451 S HA 0.971 5.439 4.470 -0.004 0.000 0.308 451 S C 0.934 175.577 174.600 0.071 0.000 1.115 451 S CA 0.614 58.853 58.200 0.066 0.000 0.965 451 S CB 1.367 64.595 63.200 0.047 0.000 1.145 451 S HN 2.838 11.148 8.310 -0.000 0.000 0.532 452 G N 0.453 109.303 108.800 0.083 0.000 2.601 452 G HA2 -0.081 3.876 3.960 -0.004 0.000 0.224 452 G HA3 -0.081 3.876 3.960 -0.004 0.000 0.224 452 G C -0.859 174.102 174.900 0.102 0.000 1.171 452 G CA 0.041 45.186 45.100 0.074 0.000 1.009 452 G HN 0.928 9.218 8.290 -0.000 0.000 0.589 453 Q N -0.597 119.260 119.800 0.094 0.000 2.389 453 Q HA 0.676 5.013 4.340 -0.004 0.000 0.277 453 Q C -0.680 175.392 176.000 0.120 0.000 1.082 453 Q CA -0.941 54.926 55.803 0.107 0.000 0.810 453 Q CB 2.216 31.000 28.738 0.077 0.000 1.374 453 Q HN 1.024 9.294 8.270 -0.000 0.000 0.422 454 L N 3.875 125.184 121.223 0.145 0.000 2.513 454 L HA -0.040 4.298 4.340 -0.004 0.000 0.272 454 L C -0.144 176.826 176.870 0.166 0.000 1.187 454 L CA -0.125 54.820 54.840 0.175 0.000 0.895 454 L CB 0.405 42.569 42.059 0.175 0.000 1.147 454 L HN 0.804 9.034 8.230 -0.000 0.000 0.483 455 L N 5.366 126.704 121.223 0.192 0.000 2.470 455 L HA 0.264 4.602 4.340 -0.004 0.000 0.219 455 L C -0.270 176.796 176.870 0.326 0.000 1.071 455 L CA 0.684 55.628 54.840 0.173 0.000 0.850 455 L CB -0.310 41.784 42.059 0.058 0.000 1.040 455 L HN 0.589 8.819 8.230 -0.000 0.000 0.475 456 W N 0.492 121.873 121.300 0.136 0.000 3.167 456 W HA 0.329 4.987 4.660 -0.004 0.000 0.324 456 W C -0.648 175.997 176.519 0.211 0.000 1.230 456 W CA -1.645 55.777 57.345 0.128 0.000 1.184 456 W CB 1.165 30.676 29.460 0.085 0.000 1.414 456 W HN 0.012 8.192 8.180 -0.000 0.000 0.551 457 D N 0.496 120.973 120.400 0.128 0.000 2.437 457 D HA 0.550 5.188 4.640 -0.004 0.000 0.259 457 D C -0.823 175.479 176.300 0.003 0.000 1.118 457 D CA -0.288 53.765 54.000 0.088 0.000 1.017 457 D CB 1.718 42.511 40.800 -0.011 0.000 1.120 457 D HN 0.083 8.453 8.370 -0.000 0.000 0.541 458 T N 0.075 114.677 114.554 0.081 0.000 2.807 458 T HA 0.421 4.768 4.350 -0.004 0.000 0.279 458 T C -0.546 174.152 174.700 -0.004 0.000 0.993 458 T CA -0.637 61.492 62.100 0.049 0.000 0.970 458 T CB 1.685 70.663 68.868 0.183 0.000 0.950 458 T HN 0.322 8.562 8.240 -0.000 0.000 0.441 459 V N 3.164 123.050 119.914 -0.047 0.000 2.815 459 V HA 0.512 4.630 4.120 -0.004 0.000 0.314 459 V C 1.488 177.585 176.094 0.004 0.000 1.064 459 V CA -0.158 62.122 62.300 -0.033 0.000 0.952 459 V CB 2.143 33.918 31.823 -0.080 0.000 1.020 459 V HN 1.118 9.308 8.190 -0.000 0.000 0.439 460 T N 1.063 115.639 114.554 0.038 0.000 3.014 460 T HA 0.166 4.514 4.350 -0.004 0.000 0.263 460 T C 1.459 176.195 174.700 0.060 0.000 1.078 460 T CA 1.273 63.427 62.100 0.090 0.000 1.135 460 T CB -0.104 68.892 68.868 0.214 0.000 0.895 460 T HN 2.148 10.388 8.240 -0.000 0.000 0.480 461 G N 0.661 109.478 108.800 0.029 0.000 2.168 461 G HA2 -0.228 3.730 3.960 -0.004 0.000 0.263 461 G HA3 -0.228 3.730 3.960 -0.004 0.000 0.263 461 G C 0.107 175.004 174.900 -0.005 0.000 0.977 461 G CA 0.182 45.278 45.100 -0.005 0.000 0.659 461 G HN 0.776 9.066 8.290 -0.000 0.000 0.533 462 V N 1.457 121.394 119.914 0.039 0.000 2.406 462 V HA 0.427 4.545 4.120 -0.004 0.000 0.272 462 V C 0.089 176.199 176.094 0.028 0.000 1.043 462 V CA -0.502 61.803 62.300 0.009 0.000 0.915 462 V CB 1.713 33.491 31.823 -0.074 0.000 0.988 462 V HN 0.336 8.526 8.190 -0.000 0.000 0.466 463 D N 5.092 125.503 120.400 0.018 0.000 2.380 463 D HA 0.259 4.897 4.640 -0.004 0.000 0.230 463 D C 0.909 177.250 176.300 0.067 0.000 1.154 463 D CA -0.248 53.770 54.000 0.029 0.000 0.859 463 D CB 1.337 42.149 40.800 0.020 0.000 1.045 463 D HN 0.488 8.858 8.370 -0.000 0.000 0.495 464 M N 2.490 122.119 119.600 0.047 0.000 2.549 464 M HA -0.064 4.414 4.480 -0.004 0.000 0.260 464 M C 1.693 178.054 176.300 0.102 0.000 1.076 464 M CA 0.495 55.840 55.300 0.075 0.000 1.090 464 M CB 0.147 32.592 32.600 -0.257 0.000 1.418 464 M HN 0.431 8.721 8.290 -0.000 0.000 0.486 465 A N 0.372 123.229 122.820 0.062 0.000 2.206 465 A HA 0.195 4.513 4.320 -0.004 0.000 0.211 465 A C 1.102 178.742 177.584 0.092 0.000 1.158 465 A CA 0.329 52.406 52.037 0.067 0.000 0.761 465 A CB -0.211 18.809 19.000 0.034 0.000 0.801 465 A HN 0.358 8.508 8.150 -0.000 0.000 0.473 466 L N 0.000 121.283 121.223 0.100 0.000 2.949 466 L HA 0.000 4.338 4.340 -0.004 0.000 0.249 466 L CA 0.000 54.884 54.840 0.073 0.000 0.813 466 L CB 0.000 42.084 42.059 0.041 0.000 0.961 466 L HN 0.000 8.230 8.230 -0.000 0.000 0.502