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 1ezb_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISGILASPG IAFGKALLLK EDEIVIDRKK ISADQVDQEV ERFLSGRAKA DATA SEQUENCE SAQLETIKTK AGETFGEEKE AIFEGHIMLL EDEELEQEII ALIKDKHMTA DATA SEQUENCE DAAAHEVIEG QASALEELDD EYLKERAADV RDIGKRLLRN ILGLKIIDLS DATA SEQUENCE AIQDEVILVA ADLTPSETAQ LNLKKVLGFI TDAGGRTSHT SIMARSLELP DATA SEQUENCE AIVGTGSVTS QVKNDDYLIL DAVNNQVYVN PTNEVIDKMR AVQEQVASEK DATA SEQUENCE AELAKLKDR 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 1 M HA 0.000 4.451 4.480 -0.049 0.000 0.227 1 M C 0.000 176.264 176.300 -0.061 0.000 1.140 1 M CA 0.000 55.264 55.300 -0.060 0.000 0.988 1 M CB 0.000 32.535 32.600 -0.109 0.000 1.302 2 I N 3.021 123.539 120.570 -0.086 0.000 2.306 2 I HA 0.120 4.262 4.170 -0.047 0.000 0.288 2 I C -1.377 174.697 176.117 -0.071 0.000 1.036 2 I CA -0.102 61.157 61.300 -0.067 0.000 1.221 2 I CB -0.151 37.808 38.000 -0.069 0.000 1.385 2 I HN 0.375 8.509 8.210 -0.126 0.000 0.472 3 S N 7.590 123.260 115.700 -0.049 0.000 2.433 3 S HA 0.487 5.133 4.470 -0.053 -0.208 0.310 3 S C 0.051 174.633 174.600 -0.031 0.000 1.097 3 S CA -1.085 57.089 58.200 -0.043 0.000 1.103 3 S CB 1.111 64.292 63.200 -0.033 0.000 0.992 3 S HN 0.124 8.411 8.310 -0.039 0.000 0.469 4 G N 2.999 111.781 108.800 -0.030 0.000 2.736 4 G HA2 0.265 4.348 3.960 -0.016 0.000 0.229 4 G HA3 0.265 4.214 3.960 -0.018 0.000 0.229 4 G C -0.936 173.955 174.900 -0.014 0.000 1.380 4 G CA -1.672 43.417 45.100 -0.019 0.000 1.040 4 G HN -0.071 8.237 8.290 -0.036 -0.041 0.568 5 I N -1.191 119.373 120.570 -0.009 0.000 3.883 5 I HA -0.115 4.050 4.170 -0.009 0.000 0.326 5 I C -0.361 175.753 176.117 -0.006 0.000 1.283 5 I CA 0.060 61.356 61.300 -0.007 0.000 1.161 5 I CB 0.460 38.457 38.000 -0.006 0.000 1.012 5 I HN 0.182 8.461 8.210 -0.006 -0.073 0.421 6 L N 0.005 121.225 121.223 -0.006 0.000 3.244 6 L HA -0.393 3.944 4.340 -0.005 0.000 0.589 6 L C -0.947 175.925 176.870 0.002 0.000 1.005 6 L CA 0.475 55.313 54.840 -0.004 0.000 1.258 6 L CB -0.023 42.031 42.059 -0.007 0.000 1.311 6 L HN -0.599 7.565 8.230 -0.008 0.060 0.677 7 A N 5.403 128.229 122.820 0.011 0.000 1.878 7 A HA -0.017 4.307 4.320 0.007 0.000 0.213 7 A C -0.517 177.077 177.584 0.017 0.000 1.192 7 A CA 1.117 53.163 52.037 0.016 0.000 0.619 7 A CB 1.327 20.347 19.000 0.033 0.000 0.837 7 A HN 0.606 8.665 8.150 0.014 0.100 0.446 8 S N -3.283 112.429 115.700 0.020 0.000 2.556 8 S HA 0.479 4.957 4.470 0.013 0.000 0.271 8 S C -2.782 171.821 174.600 0.005 0.000 1.135 8 S CA -1.887 56.323 58.200 0.017 0.000 0.858 8 S CB 1.800 65.018 63.200 0.031 0.000 1.114 8 S HN -0.821 7.502 8.310 0.021 0.000 0.468 9 P HA 0.211 4.854 4.420 -0.010 -0.229 0.274 9 P C -0.485 176.806 177.300 -0.016 0.000 1.231 9 P CA -1.151 61.945 63.100 -0.007 0.000 0.790 9 P CB 0.531 32.230 31.700 -0.002 0.000 0.951 10 G N -0.399 108.383 108.800 -0.030 0.000 2.196 10 G HA2 -0.126 3.812 3.960 -0.037 0.000 0.215 10 G HA3 -0.126 3.806 3.960 -0.046 0.000 0.215 10 G C -2.112 172.730 174.900 -0.096 0.000 1.640 10 G CA -0.473 44.597 45.100 -0.049 0.000 0.946 10 G HN -0.631 7.641 8.290 -0.030 0.000 0.710 11 I N 1.352 121.849 120.570 -0.122 0.000 2.428 11 I HA 0.243 4.477 4.170 -0.242 -0.209 0.289 11 I C -0.392 175.481 176.117 -0.407 0.000 1.019 11 I CA -0.292 60.857 61.300 -0.253 0.000 1.351 11 I CB 1.290 39.162 38.000 -0.213 0.000 1.412 11 I HN 0.165 8.326 8.210 -0.081 0.000 0.513 12 A N 6.477 128.948 122.820 -0.581 0.000 2.498 12 A HA 0.487 4.528 4.320 -0.464 0.000 0.298 12 A C -2.252 174.841 177.584 -0.818 0.000 1.075 12 A CA -1.350 50.350 52.037 -0.561 0.000 0.714 12 A CB 3.776 22.613 19.000 -0.273 0.000 1.299 12 A HN 0.019 7.851 8.150 -0.529 0.000 0.407 13 F N -0.828 119.088 119.950 -0.057 0.000 2.551 13 F HA 0.623 5.063 4.527 -0.145 0.000 0.316 13 F C 0.519 176.211 175.800 -0.180 0.000 1.089 13 F CA -1.441 56.495 58.000 -0.107 0.000 0.915 13 F CB 3.590 42.592 39.000 0.003 0.000 1.186 13 F HN 0.129 8.414 8.300 -0.025 0.000 0.456 14 G N 1.125 109.809 108.800 -0.192 0.000 2.451 14 G HA2 0.195 4.094 3.960 -0.102 0.000 0.292 14 G HA3 0.195 4.079 3.960 -0.126 0.000 0.292 14 G C -2.662 172.042 174.900 -0.327 0.000 1.427 14 G CA 0.272 45.258 45.100 -0.190 0.000 0.792 14 G HN -0.204 7.857 8.290 -0.382 0.000 0.498 15 K N -0.967 119.333 120.400 -0.165 0.000 2.168 15 K HA 0.287 4.631 4.320 -0.139 -0.107 0.258 15 K C -0.876 175.675 176.600 -0.081 0.000 1.010 15 K CA -0.138 56.088 56.287 -0.103 0.000 0.929 15 K CB 1.697 34.195 32.500 -0.004 0.000 0.998 15 K HN 0.337 8.532 8.250 -0.091 0.000 0.479 16 A N 0.296 123.091 122.820 -0.043 0.000 2.362 16 A HA 0.106 4.401 4.320 -0.042 0.000 0.276 16 A C -2.301 175.278 177.584 -0.007 0.000 1.153 16 A CA -0.505 51.517 52.037 -0.026 0.000 0.813 16 A CB 0.862 19.860 19.000 -0.003 0.000 1.081 16 A HN 0.900 8.991 8.150 -0.017 0.049 0.507 17 L N 5.422 126.640 121.223 -0.007 0.000 2.283 17 L HA 0.479 4.824 4.340 0.008 0.000 0.281 17 L C -2.437 174.441 176.870 0.014 0.000 1.033 17 L CA -1.346 53.497 54.840 0.005 0.000 0.848 17 L CB 2.042 44.103 42.059 0.004 0.000 1.226 17 L HN -0.100 8.121 8.230 -0.015 0.000 0.429 18 L N 5.884 127.117 121.223 0.016 0.000 2.350 18 L HA 0.328 4.828 4.340 0.021 -0.147 0.275 18 L C -0.563 176.320 176.870 0.022 0.000 1.099 18 L CA -0.734 54.117 54.840 0.019 0.000 0.808 18 L CB 1.825 43.895 42.059 0.018 0.000 1.149 18 L HN 0.207 8.446 8.230 0.016 0.000 0.442 19 L N 5.842 127.080 121.223 0.025 0.000 2.255 19 L HA 0.184 4.538 4.340 0.023 0.000 0.289 19 L C -0.609 176.273 176.870 0.020 0.000 1.046 19 L CA -0.546 54.309 54.840 0.025 0.000 0.816 19 L CB -0.461 41.617 42.059 0.031 0.000 1.197 19 L HN 0.077 8.323 8.230 0.027 0.000 0.427 20 K N 4.486 124.897 120.400 0.017 0.000 2.244 20 K HA 0.224 4.552 4.320 0.014 0.000 0.260 20 K C -1.183 175.424 176.600 0.012 0.000 0.951 20 K CA -0.679 55.616 56.287 0.014 0.000 0.826 20 K CB 1.141 33.649 32.500 0.013 0.000 1.108 20 K HN 0.259 8.519 8.250 0.017 0.000 0.433 21 E N 3.138 123.344 120.200 0.010 0.000 2.266 21 E HA 0.120 4.474 4.350 0.008 0.000 0.268 21 E C -1.040 175.563 176.600 0.005 0.000 0.879 21 E CA -0.511 55.894 56.400 0.008 0.000 0.762 21 E CB 1.729 31.434 29.700 0.008 0.000 1.199 21 E HN 0.178 8.544 8.360 0.010 0.000 0.422 22 D N 3.903 124.305 120.400 0.003 0.000 2.304 22 D HA 0.096 4.737 4.640 0.001 0.000 0.250 22 D C -0.077 176.222 176.300 -0.003 0.000 1.107 22 D CA 0.005 54.005 54.000 0.000 0.000 0.885 22 D CB 1.041 41.840 40.800 -0.001 0.000 1.192 22 D HN 0.123 8.495 8.370 0.003 0.000 0.436 23 E N 2.083 122.280 120.200 -0.005 0.000 2.418 23 E HA -0.106 4.239 4.350 -0.008 0.000 0.261 23 E C 0.288 176.878 176.600 -0.017 0.000 1.070 23 E CA -0.355 56.039 56.400 -0.010 0.000 0.931 23 E CB 1.132 30.825 29.700 -0.012 0.000 0.954 23 E HN 0.168 8.526 8.360 -0.004 0.000 0.439 24 I N 3.811 124.365 120.570 -0.025 0.000 2.365 24 I HA 0.023 4.178 4.170 -0.026 0.000 0.291 24 I C -0.359 175.726 176.117 -0.054 0.000 1.004 24 I CA -0.404 60.875 61.300 -0.035 0.000 1.311 24 I CB 0.554 38.530 38.000 -0.039 0.000 1.401 24 I HN -0.015 8.180 8.210 -0.025 0.000 0.491 25 V N 6.588 126.474 119.914 -0.047 0.000 2.435 25 V HA 0.182 4.265 4.120 -0.063 0.000 0.290 25 V C -0.623 175.435 176.094 -0.060 0.000 1.030 25 V CA -0.936 61.333 62.300 -0.052 0.000 0.881 25 V CB 0.937 32.740 31.823 -0.032 0.000 0.983 25 V HN 0.169 8.338 8.190 -0.035 0.000 0.445 26 I N 5.791 126.313 120.570 -0.081 0.000 2.440 26 I HA 0.012 4.145 4.170 -0.061 0.000 0.294 26 I C -0.825 175.268 176.117 -0.039 0.000 0.995 26 I CA -0.605 60.651 61.300 -0.074 0.000 1.306 26 I CB 1.144 39.071 38.000 -0.121 0.000 1.407 26 I HN 0.142 8.297 8.210 -0.091 0.000 0.501 27 D N 6.594 126.982 120.400 -0.020 0.000 2.280 27 D HA 0.084 4.718 4.640 -0.011 0.000 0.243 27 D C -0.347 175.952 176.300 -0.002 0.000 1.129 27 D CA -0.229 53.766 54.000 -0.009 0.000 0.848 27 D CB 0.602 41.401 40.800 -0.001 0.000 1.107 27 D HN 0.146 8.505 8.370 -0.017 0.000 0.471 28 R N 1.849 122.348 120.500 -0.001 0.000 2.466 28 R HA 0.090 4.436 4.340 0.010 0.000 0.279 28 R C -0.481 175.825 176.300 0.010 0.000 0.976 28 R CA -1.861 54.242 56.100 0.006 0.000 1.081 28 R CB -0.475 29.828 30.300 0.004 0.000 1.215 28 R HN 0.237 8.504 8.270 -0.004 0.000 0.546 29 K N 0.995 121.400 120.400 0.009 0.000 2.295 29 K HA -0.023 4.302 4.320 0.008 0.000 0.270 29 K C -0.238 176.372 176.600 0.016 0.000 1.011 29 K CA -0.111 56.182 56.287 0.010 0.000 0.953 29 K CB 0.618 33.122 32.500 0.006 0.000 0.956 29 K HN -0.441 7.737 8.250 0.007 0.077 0.477 30 K N 2.578 122.988 120.400 0.016 0.000 2.258 30 K HA 0.034 4.379 4.320 0.042 0.000 0.284 30 K C 0.513 177.118 176.600 0.009 0.000 1.051 30 K CA -0.481 55.821 56.287 0.025 0.000 0.923 30 K CB 0.454 32.968 32.500 0.024 0.000 1.046 30 K HN 0.037 8.293 8.250 0.011 0.000 0.474 31 I N 1.734 122.314 120.570 0.017 0.000 2.918 31 I HA 0.312 4.477 4.170 -0.008 0.000 0.316 31 I C -0.387 175.705 176.117 -0.041 0.000 1.001 31 I CA -1.217 60.081 61.300 -0.002 0.000 1.142 31 I CB 1.249 39.258 38.000 0.015 0.000 1.356 31 I HN 0.208 8.443 8.210 0.042 0.000 0.524 32 S N 1.852 117.523 115.700 -0.048 0.000 2.713 32 S HA 0.098 4.478 4.470 -0.149 0.000 0.283 32 S C 0.367 174.928 174.600 -0.065 0.000 1.161 32 S CA -1.154 56.994 58.200 -0.087 0.000 0.999 32 S CB 2.965 66.128 63.200 -0.061 0.000 1.039 32 S HN -0.047 8.246 8.310 -0.028 0.000 0.548 33 A N -0.270 122.501 122.820 -0.082 0.000 2.076 33 A HA -0.221 4.098 4.320 -0.001 0.000 0.220 33 A C 1.349 178.928 177.584 -0.009 0.000 1.160 33 A CA 2.528 54.547 52.037 -0.030 0.000 0.653 33 A CB -0.418 18.564 19.000 -0.030 0.000 0.801 33 A HN 0.562 8.642 8.150 -0.117 0.000 0.455 34 D N -2.354 118.036 120.400 -0.016 0.000 2.117 34 D HA -0.183 4.456 4.640 -0.002 0.000 0.198 34 D C 1.880 178.181 176.300 0.002 0.000 0.982 34 D CA 2.382 56.378 54.000 -0.006 0.000 0.828 34 D CB 0.140 40.934 40.800 -0.010 0.000 0.967 34 D HN -0.541 7.768 8.370 -0.029 0.044 0.464 35 Q N -1.084 118.717 119.800 0.001 0.000 2.451 35 Q HA -0.073 4.274 4.340 0.011 0.000 0.206 35 Q C 2.130 178.141 176.000 0.019 0.000 0.947 35 Q CA 1.444 57.253 55.803 0.010 0.000 0.937 35 Q CB 0.175 28.918 28.738 0.008 0.000 1.025 35 Q HN -0.703 7.563 8.270 -0.006 0.000 0.511 36 V N 0.989 120.916 119.914 0.021 0.000 2.392 36 V HA -0.542 3.599 4.120 0.035 0.000 0.249 36 V C 1.097 177.208 176.094 0.028 0.000 1.059 36 V CA 4.699 67.018 62.300 0.031 0.000 1.051 36 V CB -0.357 31.492 31.823 0.043 0.000 0.658 36 V HN -0.562 7.466 8.190 0.015 0.171 0.455 37 D N -1.518 118.897 120.400 0.025 0.000 2.123 37 D HA -0.321 4.335 4.640 0.028 0.000 0.196 37 D C 2.585 178.906 176.300 0.034 0.000 0.992 37 D CA 3.609 57.625 54.000 0.027 0.000 0.833 37 D CB -0.583 40.230 40.800 0.022 0.000 0.954 37 D HN -0.121 8.254 8.370 0.021 0.007 0.455 38 Q N -0.863 118.955 119.800 0.031 0.000 2.084 38 Q HA -0.317 4.044 4.340 0.035 0.000 0.202 38 Q C 2.455 178.485 176.000 0.049 0.000 0.978 38 Q CA 3.047 58.871 55.803 0.035 0.000 0.844 38 Q CB -0.245 28.510 28.738 0.028 0.000 0.898 38 Q HN -0.638 7.553 8.270 0.026 0.095 0.426 39 E N -0.760 119.469 120.200 0.048 0.000 2.085 39 E HA -0.289 4.103 4.350 0.070 0.000 0.194 39 E C 2.601 179.258 176.600 0.096 0.000 0.994 39 E CA 2.839 59.277 56.400 0.063 0.000 0.801 39 E CB -0.459 29.265 29.700 0.039 0.000 0.743 39 E HN -0.650 7.651 8.360 0.038 0.083 0.453 40 V N -0.244 119.717 119.914 0.078 0.000 2.343 40 V HA -0.472 3.730 4.120 0.137 0.000 0.247 40 V C 1.994 178.185 176.094 0.161 0.000 1.051 40 V CA 4.470 66.841 62.300 0.118 0.000 1.036 40 V CB -0.500 31.365 31.823 0.070 0.000 0.654 40 V HN -0.574 7.647 8.190 0.053 0.000 0.451 41 E N -0.087 120.174 120.200 0.102 0.000 2.051 41 E HA -0.373 4.022 4.350 0.076 0.000 0.192 41 E C 2.430 179.079 176.600 0.082 0.000 0.991 41 E CA 3.337 59.785 56.400 0.080 0.000 0.799 41 E CB -0.343 29.388 29.700 0.051 0.000 0.748 41 E HN -0.587 7.820 8.360 0.079 0.000 0.449 42 R N -1.474 119.080 120.500 0.090 0.000 2.096 42 R HA -0.301 4.065 4.340 0.044 0.000 0.235 42 R C 2.776 179.135 176.300 0.098 0.000 1.127 42 R CA 3.152 59.299 56.100 0.078 0.000 0.968 42 R CB -0.098 30.249 30.300 0.080 0.000 0.861 42 R HN -0.462 7.861 8.270 0.089 0.000 0.440 43 F N 1.653 121.611 119.950 0.012 0.000 2.074 43 F HA -0.327 4.208 4.527 0.014 0.000 0.293 43 F C 1.169 176.976 175.800 0.012 0.000 1.116 43 F CA 3.503 61.511 58.000 0.013 0.000 1.212 43 F CB 0.157 39.165 39.000 0.014 0.000 0.998 43 F HN -0.131 8.245 8.300 0.285 0.094 0.471 44 L N -1.245 120.054 121.223 0.127 0.000 2.012 44 L HA -0.440 3.817 4.340 -0.138 0.000 0.210 44 L C 1.993 178.807 176.870 -0.093 0.000 1.073 44 L CA 3.246 58.078 54.840 -0.013 0.000 0.748 44 L CB -0.409 41.721 42.059 0.119 0.000 0.891 44 L HN 0.618 8.955 8.230 0.363 0.111 0.431 45 S N -2.115 113.563 115.700 -0.036 0.000 2.383 45 S HA -0.240 4.208 4.470 -0.036 0.000 0.227 45 S C 2.479 177.033 174.600 -0.078 0.000 1.026 45 S CA 3.400 61.575 58.200 -0.041 0.000 0.981 45 S CB -0.408 62.787 63.200 -0.008 0.000 0.818 45 S HN 0.516 8.716 8.310 0.015 0.118 0.472 46 G N 0.849 109.587 108.800 -0.105 0.000 2.440 46 G HA2 -0.352 3.565 3.960 -0.072 0.000 0.218 46 G HA3 -0.352 3.589 3.960 -0.125 -0.056 0.218 46 G C 0.754 175.554 174.900 -0.166 0.000 1.154 46 G CA 1.818 46.847 45.100 -0.119 0.000 0.767 46 G HN 0.121 8.161 8.290 -0.090 0.196 0.552 47 R N 0.975 121.311 120.500 -0.272 0.000 2.127 47 R HA -0.406 3.799 4.340 -0.224 0.000 0.238 47 R C 1.863 178.085 176.300 -0.130 0.000 1.134 47 R CA 3.315 59.269 56.100 -0.244 0.000 0.975 47 R CB -0.075 30.026 30.300 -0.331 0.000 0.865 47 R HN 0.099 8.146 8.270 -0.364 0.004 0.447 48 A N -1.573 121.184 122.820 -0.105 0.000 1.883 48 A HA -0.258 4.031 4.320 -0.052 0.000 0.217 48 A C 1.808 179.363 177.584 -0.049 0.000 1.186 48 A CA 3.181 55.182 52.037 -0.061 0.000 0.624 48 A CB -0.913 18.061 19.000 -0.045 0.000 0.822 48 A HN -0.249 7.683 8.150 -0.121 0.145 0.444 49 K N -1.406 118.963 120.400 -0.051 0.000 2.098 49 K HA -0.158 4.144 4.320 -0.030 0.000 0.203 49 K C 1.859 178.436 176.600 -0.039 0.000 1.051 49 K CA 2.182 58.447 56.287 -0.038 0.000 0.957 49 K CB 0.020 32.500 32.500 -0.033 0.000 0.738 49 K HN -0.747 7.386 8.250 -0.062 0.080 0.447 50 A N -0.003 122.785 122.820 -0.052 0.000 1.902 50 A HA -0.244 4.057 4.320 -0.031 0.000 0.217 50 A C 1.683 179.248 177.584 -0.032 0.000 1.181 50 A CA 2.999 55.010 52.037 -0.044 0.000 0.623 50 A CB -0.860 18.102 19.000 -0.064 0.000 0.818 50 A HN 0.600 8.603 8.150 -0.069 0.106 0.443 51 S N -1.843 113.833 115.700 -0.040 0.000 2.383 51 S HA -0.357 4.107 4.470 -0.010 0.000 0.229 51 S C 1.997 176.590 174.600 -0.013 0.000 1.030 51 S CA 3.153 61.339 58.200 -0.022 0.000 1.002 51 S CB -0.300 62.883 63.200 -0.029 0.000 0.829 51 S HN 0.222 8.378 8.310 -0.059 0.119 0.467 52 A N 1.250 124.059 122.820 -0.019 0.000 1.854 52 A HA -0.241 4.072 4.320 -0.013 0.000 0.214 52 A C 2.116 179.690 177.584 -0.016 0.000 1.192 52 A CA 2.932 54.960 52.037 -0.016 0.000 0.611 52 A CB -0.813 18.176 19.000 -0.018 0.000 0.832 52 A HN -0.665 7.375 8.150 -0.027 0.094 0.442 53 Q N -0.884 118.905 119.800 -0.018 0.000 2.050 53 Q HA -0.360 3.966 4.340 -0.024 0.000 0.202 53 Q C 2.668 178.657 176.000 -0.019 0.000 0.980 53 Q CA 3.196 58.987 55.803 -0.020 0.000 0.840 53 Q CB -0.052 28.675 28.738 -0.018 0.000 0.898 53 Q HN 0.125 8.276 8.270 -0.020 0.106 0.424 54 L N -2.007 119.214 121.223 -0.003 0.000 2.046 54 L HA -0.393 3.957 4.340 0.016 0.000 0.208 54 L C 2.134 179.011 176.870 0.012 0.000 1.077 54 L CA 3.287 58.139 54.840 0.020 0.000 0.747 54 L CB -1.123 40.967 42.059 0.051 0.000 0.896 54 L HN 0.384 8.612 8.230 -0.004 0.000 0.432 55 E N -1.162 119.043 120.200 0.008 0.000 2.077 55 E HA -0.315 4.049 4.350 0.023 0.000 0.193 55 E C 2.720 179.307 176.600 -0.022 0.000 0.989 55 E CA 3.194 59.597 56.400 0.005 0.000 0.800 55 E CB -0.422 29.280 29.700 0.003 0.000 0.746 55 E HN -0.210 8.076 8.360 0.005 0.076 0.452 56 T N 1.606 116.140 114.554 -0.034 0.000 2.737 56 T HA -0.230 4.095 4.350 -0.042 0.000 0.265 56 T C 1.973 176.619 174.700 -0.090 0.000 1.038 56 T CA 4.332 66.402 62.100 -0.050 0.000 1.144 56 T CB -0.287 68.555 68.868 -0.043 0.000 0.866 56 T HN -0.104 8.036 8.240 -0.027 0.084 0.434 57 I N 1.631 122.130 120.570 -0.118 0.000 2.286 57 I HA -0.624 3.422 4.170 -0.208 0.000 0.248 57 I C 1.271 177.172 176.117 -0.360 0.000 1.115 57 I CA 4.477 65.637 61.300 -0.233 0.000 1.392 57 I CB -0.629 37.225 38.000 -0.244 0.000 1.065 57 I HN -0.069 8.090 8.210 -0.086 0.000 0.418 58 K N -0.801 119.455 120.400 -0.240 0.000 2.074 58 K HA -0.443 3.716 4.320 -0.268 0.000 0.209 58 K C 2.085 178.617 176.600 -0.113 0.000 1.048 58 K CA 4.101 60.293 56.287 -0.158 0.000 0.926 58 K CB -0.279 32.237 32.500 0.028 0.000 0.713 58 K HN -0.004 8.156 8.250 -0.133 0.011 0.444 59 T N 0.685 115.187 114.554 -0.086 0.000 2.857 59 T HA -0.227 4.111 4.350 -0.021 0.000 0.266 59 T C 1.691 176.346 174.700 -0.074 0.000 1.048 59 T CA 4.418 66.486 62.100 -0.052 0.000 1.139 59 T CB -0.432 68.413 68.868 -0.039 0.000 0.874 59 T HN -0.613 7.482 8.240 -0.084 0.095 0.455 60 K N 2.011 122.337 120.400 -0.124 0.000 2.097 60 K HA -0.341 3.922 4.320 -0.094 0.000 0.206 60 K C 2.163 178.698 176.600 -0.107 0.000 1.049 60 K CA 3.634 59.847 56.287 -0.123 0.000 0.933 60 K CB -0.390 32.022 32.500 -0.147 0.000 0.717 60 K HN -0.595 7.458 8.250 -0.149 0.107 0.442 61 A N -2.086 120.640 122.820 -0.156 0.000 1.972 61 A HA -0.201 4.215 4.320 0.159 0.000 0.219 61 A C 2.164 179.832 177.584 0.140 0.000 1.169 61 A CA 2.932 54.989 52.037 0.033 0.000 0.635 61 A CB -0.703 18.289 19.000 -0.013 0.000 0.810 61 A HN 0.086 8.055 8.150 -0.290 0.006 0.446 62 G N -2.446 106.395 108.800 0.067 0.000 2.426 62 G HA2 -0.227 3.958 3.960 0.124 0.000 0.214 62 G HA3 -0.227 3.770 3.960 0.061 0.000 0.214 62 G C 1.204 176.124 174.900 0.035 0.000 1.156 62 G CA 1.356 46.503 45.100 0.077 0.000 0.802 62 G HN -0.484 7.695 8.290 0.011 0.118 0.534 63 E N 0.042 120.236 120.200 -0.010 0.000 2.299 63 E HA -0.136 4.202 4.350 -0.020 0.000 0.193 63 E C 1.765 178.315 176.600 -0.083 0.000 0.998 63 E CA 1.848 58.227 56.400 -0.036 0.000 0.851 63 E CB 0.272 29.944 29.700 -0.045 0.000 0.795 63 E HN 0.374 8.613 8.360 -0.021 0.108 0.492 64 T N -0.606 113.870 114.554 -0.129 0.000 2.866 64 T HA -0.118 4.052 4.350 -0.299 0.000 0.250 64 T C 0.728 175.149 174.700 -0.465 0.000 1.033 64 T CA 3.366 65.264 62.100 -0.337 0.000 1.145 64 T CB 0.516 69.122 68.868 -0.437 0.000 0.866 64 T HN 0.156 8.219 8.240 -0.079 0.129 0.434 65 F N -2.299 117.675 119.950 0.041 0.000 2.694 65 F HA 0.217 4.765 4.527 0.035 0.000 0.292 65 F C 0.430 176.254 175.800 0.041 0.000 1.121 65 F CA 0.198 58.227 58.000 0.047 0.000 1.352 65 F CB 2.012 41.059 39.000 0.079 0.000 1.107 65 F HN -0.590 7.749 8.300 0.064 0.000 0.597 66 G N -1.325 107.587 108.800 0.187 0.000 2.406 66 G HA2 -0.157 3.923 3.960 0.077 0.000 0.680 66 G HA3 -0.157 3.873 3.960 0.117 0.000 0.680 66 G C -0.740 174.231 174.900 0.120 0.000 1.338 66 G CA -0.623 44.549 45.100 0.120 0.000 0.941 66 G HN -0.914 7.386 8.290 0.161 0.087 0.633 67 E N 1.305 121.554 120.200 0.081 0.000 2.273 67 E HA -0.465 4.075 4.350 0.078 -0.143 0.198 67 E C 1.241 177.888 176.600 0.078 0.000 1.002 67 E CA 2.553 58.997 56.400 0.072 0.000 0.828 67 E CB -0.018 29.710 29.700 0.046 0.000 0.747 67 E HN 0.491 8.889 8.360 0.063 0.000 0.491 68 E N -1.799 118.447 120.200 0.077 0.000 2.118 68 E HA -0.281 4.090 4.350 0.035 0.000 0.195 68 E C 1.992 178.640 176.600 0.081 0.000 0.992 68 E CA 2.543 58.978 56.400 0.059 0.000 0.804 68 E CB -0.495 29.234 29.700 0.049 0.000 0.741 68 E HN 0.360 8.727 8.360 0.080 0.041 0.458 69 K N -3.460 117.025 120.400 0.142 0.000 2.314 69 K HA 0.020 4.415 4.320 0.126 0.000 0.198 69 K C 1.793 178.561 176.600 0.280 0.000 1.045 69 K CA 0.532 56.938 56.287 0.199 0.000 0.988 69 K CB -0.221 32.458 32.500 0.297 0.000 0.783 69 K HN -0.485 7.856 8.250 0.164 0.008 0.484 70 E N 1.384 121.724 120.200 0.234 0.000 2.110 70 E HA -0.332 4.216 4.350 0.329 0.000 0.193 70 E C 1.746 178.461 176.600 0.192 0.000 0.988 70 E CA 3.068 59.610 56.400 0.236 0.000 0.804 70 E CB -0.079 29.701 29.700 0.133 0.000 0.745 70 E HN -0.797 7.571 8.360 0.183 0.101 0.458 71 A N -1.820 121.064 122.820 0.108 0.000 1.972 71 A HA -0.181 4.168 4.320 0.047 0.000 0.219 71 A C 1.939 179.530 177.584 0.011 0.000 1.169 71 A CA 2.861 54.926 52.037 0.046 0.000 0.635 71 A CB -0.536 18.466 19.000 0.005 0.000 0.810 71 A HN -0.597 7.598 8.150 0.097 0.012 0.446 72 I N -1.999 118.565 120.570 -0.009 0.000 2.252 72 I HA -0.511 3.573 4.170 -0.143 0.000 0.245 72 I C 1.722 177.670 176.117 -0.282 0.000 1.102 72 I CA 3.459 64.658 61.300 -0.168 0.000 1.385 72 I CB -0.180 37.683 38.000 -0.229 0.000 1.064 72 I HN -0.785 7.336 8.210 0.041 0.113 0.414 73 F N -1.186 118.774 119.950 0.017 0.000 2.234 73 F HA -0.289 4.372 4.527 0.225 0.000 0.299 73 F C 2.161 177.986 175.800 0.041 0.000 1.087 73 F CA 3.430 61.484 58.000 0.090 0.000 1.340 73 F CB -0.418 38.642 39.000 0.100 0.000 1.031 73 F HN -0.845 7.576 8.300 0.201 0.000 0.500 74 E N 0.293 120.597 120.200 0.173 0.000 2.110 74 E HA -0.390 4.033 4.350 0.122 0.000 0.193 74 E C 2.528 179.152 176.600 0.040 0.000 0.988 74 E CA 3.024 59.483 56.400 0.099 0.000 0.804 74 E CB -0.270 29.470 29.700 0.066 0.000 0.745 74 E HN -0.368 7.995 8.360 0.174 0.102 0.458 75 G N -2.134 106.639 108.800 -0.045 0.000 2.418 75 G HA2 -0.296 3.647 3.960 -0.028 0.000 0.217 75 G HA3 -0.296 3.574 3.960 -0.151 0.000 0.217 75 G C 1.569 176.429 174.900 -0.067 0.000 1.158 75 G CA 2.058 47.105 45.100 -0.088 0.000 0.771 75 G HN -0.563 7.674 8.290 -0.072 0.010 0.545 76 H N 2.235 121.322 119.070 0.028 0.000 2.352 76 H HA -0.253 4.302 4.556 -0.002 0.000 0.299 76 H C 2.584 177.936 175.328 0.040 0.000 1.097 76 H CA 2.684 58.744 56.048 0.020 0.000 1.311 76 H CB -0.347 29.430 29.762 0.025 0.000 1.377 76 H HN -0.859 7.250 8.280 -0.286 0.000 0.504 77 I N -0.822 119.855 120.570 0.179 0.000 2.264 77 I HA -0.504 3.729 4.170 0.106 0.000 0.248 77 I C 1.769 177.931 176.117 0.075 0.000 1.111 77 I CA 4.026 65.393 61.300 0.111 0.000 1.382 77 I CB -0.339 37.718 38.000 0.095 0.000 1.060 77 I HN -0.641 7.676 8.210 0.188 0.005 0.418 78 M N -1.160 118.478 119.600 0.063 0.000 2.149 78 M HA -0.378 4.126 4.480 0.040 0.000 0.261 78 M C 1.368 177.698 176.300 0.050 0.000 1.064 78 M CA 3.595 58.922 55.300 0.045 0.000 1.102 78 M CB -0.144 32.475 32.600 0.033 0.000 1.369 78 M HN -0.696 7.534 8.290 0.064 0.097 0.408 79 L N -2.487 118.773 121.223 0.063 0.000 2.012 79 L HA -0.292 4.078 4.340 0.050 0.000 0.210 79 L C 2.427 179.332 176.870 0.059 0.000 1.073 79 L CA 3.184 58.060 54.840 0.061 0.000 0.748 79 L CB -0.351 41.756 42.059 0.079 0.000 0.891 79 L HN -0.803 7.376 8.230 0.076 0.096 0.431 80 L N -2.576 118.682 121.223 0.059 0.000 2.046 80 L HA -0.294 4.077 4.340 0.052 0.000 0.208 80 L C 1.194 178.088 176.870 0.041 0.000 1.077 80 L CA 2.684 57.550 54.840 0.044 0.000 0.747 80 L CB 0.079 42.152 42.059 0.024 0.000 0.896 80 L HN -0.700 7.572 8.230 0.069 0.000 0.432 81 E N -4.990 115.232 120.200 0.038 0.000 2.476 81 E HA -0.046 4.322 4.350 0.030 0.000 0.191 81 E C -0.878 175.747 176.600 0.043 0.000 1.064 81 E CA -0.231 56.189 56.400 0.034 0.000 0.866 81 E CB -0.163 29.553 29.700 0.027 0.000 0.952 81 E HN -0.663 7.721 8.360 0.041 0.000 0.492 82 D N 1.109 121.539 120.400 0.049 0.000 2.401 82 D HA -0.095 4.567 4.640 0.036 0.000 0.254 82 D C 0.443 176.774 176.300 0.051 0.000 1.192 82 D CA 0.344 54.370 54.000 0.044 0.000 0.885 82 D CB 0.806 41.631 40.800 0.041 0.000 1.147 82 D HN -0.696 7.505 8.370 0.052 0.201 0.478 83 E N 6.455 126.680 120.200 0.042 0.000 2.338 83 E HA -0.240 4.143 4.350 0.056 0.000 0.197 83 E C 1.753 178.375 176.600 0.037 0.000 1.007 83 E CA 2.487 58.913 56.400 0.043 0.000 0.849 83 E CB 0.020 29.739 29.700 0.032 0.000 0.774 83 E HN 0.489 8.870 8.360 0.034 0.000 0.506 84 E N 0.029 120.248 120.200 0.031 0.000 2.028 84 E HA -0.270 4.089 4.350 0.015 0.000 0.190 84 E C 2.262 178.876 176.600 0.023 0.000 0.984 84 E CA 2.998 59.410 56.400 0.021 0.000 0.800 84 E CB -0.152 29.558 29.700 0.016 0.000 0.758 84 E HN 0.058 8.795 8.360 0.032 -0.358 0.448 85 L N -1.404 119.841 121.223 0.036 0.000 2.131 85 L HA -0.298 4.054 4.340 0.020 0.000 0.210 85 L C 1.968 178.869 176.870 0.053 0.000 1.092 85 L CA 3.065 57.929 54.840 0.041 0.000 0.759 85 L CB -0.578 41.518 42.059 0.061 0.000 0.903 85 L HN -0.220 8.033 8.230 0.040 0.000 0.435 86 E N -0.466 119.786 120.200 0.087 0.000 2.058 86 E HA -0.490 3.973 4.350 0.188 0.000 0.194 86 E C 2.261 178.863 176.600 0.003 0.000 0.997 86 E CA 3.606 60.073 56.400 0.112 0.000 0.801 86 E CB -0.325 29.466 29.700 0.152 0.000 0.746 86 E HN -0.486 7.909 8.360 0.084 0.015 0.450 87 Q N -1.898 117.904 119.800 0.003 0.000 2.124 87 Q HA -0.325 3.998 4.340 -0.029 0.000 0.202 87 Q C 2.815 178.783 176.000 -0.053 0.000 0.977 87 Q CA 3.086 58.874 55.803 -0.024 0.000 0.850 87 Q CB -0.010 28.722 28.738 -0.010 0.000 0.901 87 Q HN -0.609 7.674 8.270 0.022 0.000 0.429 88 E N 0.381 120.553 120.200 -0.046 0.000 2.047 88 E HA -0.290 4.027 4.350 -0.056 0.000 0.191 88 E C 2.529 179.069 176.600 -0.100 0.000 0.987 88 E CA 2.916 59.280 56.400 -0.059 0.000 0.799 88 E CB -0.082 29.595 29.700 -0.039 0.000 0.752 88 E HN -0.680 7.655 8.360 -0.025 0.010 0.449 89 I N -0.100 120.391 120.570 -0.132 0.000 2.208 89 I HA -0.490 3.579 4.170 -0.169 0.000 0.245 89 I C 2.149 178.078 176.117 -0.314 0.000 1.097 89 I CA 4.423 65.581 61.300 -0.237 0.000 1.363 89 I CB -0.137 37.653 38.000 -0.350 0.000 1.051 89 I HN -0.090 8.064 8.210 -0.095 0.000 0.413 90 I N -1.009 119.372 120.570 -0.315 0.000 2.226 90 I HA -0.584 3.389 4.170 -0.328 0.000 0.245 90 I C 1.463 177.488 176.117 -0.154 0.000 1.100 90 I CA 4.179 65.326 61.300 -0.255 0.000 1.374 90 I CB -0.358 37.540 38.000 -0.170 0.000 1.057 90 I HN -0.238 7.809 8.210 -0.271 0.000 0.413 91 A N -0.027 122.721 122.820 -0.121 0.000 1.902 91 A HA -0.303 3.967 4.320 -0.083 0.000 0.217 91 A C 2.051 179.571 177.584 -0.107 0.000 1.181 91 A CA 3.278 55.258 52.037 -0.095 0.000 0.623 91 A CB -0.893 18.061 19.000 -0.075 0.000 0.818 91 A HN -0.316 7.763 8.150 -0.118 0.000 0.443 92 L N -1.921 119.235 121.223 -0.112 0.000 2.046 92 L HA -0.451 3.828 4.340 -0.103 0.000 0.208 92 L C 2.591 179.397 176.870 -0.106 0.000 1.077 92 L CA 3.143 57.920 54.840 -0.104 0.000 0.747 92 L CB -0.393 41.613 42.059 -0.089 0.000 0.896 92 L HN -0.285 7.874 8.230 -0.118 0.000 0.432 93 I N -0.523 119.983 120.570 -0.107 0.000 2.142 93 I HA -0.546 3.824 4.170 -0.044 -0.227 0.240 93 I C 1.943 178.031 176.117 -0.049 0.000 1.078 93 I CA 4.004 65.262 61.300 -0.070 0.000 1.343 93 I CB -0.096 37.854 38.000 -0.085 0.000 1.046 93 I HN -0.648 7.481 8.210 -0.135 0.000 0.405 94 K N -2.947 117.414 120.400 -0.065 0.000 2.167 94 K HA -0.229 4.115 4.320 0.039 0.000 0.203 94 K C 1.911 178.418 176.600 -0.155 0.000 1.052 94 K CA 2.927 59.190 56.287 -0.040 0.000 0.956 94 K CB -0.057 32.426 32.500 -0.029 0.000 0.735 94 K HN -0.702 7.499 8.250 -0.083 0.000 0.451 95 D N -1.542 118.743 120.400 -0.191 0.000 2.120 95 D HA -0.096 4.402 4.640 -0.237 0.000 0.202 95 D C 1.141 177.172 176.300 -0.447 0.000 0.972 95 D CA 2.474 56.319 54.000 -0.257 0.000 0.837 95 D CB 0.385 41.094 40.800 -0.152 0.000 0.989 95 D HN 0.493 8.647 8.370 -0.143 0.130 0.469 96 K N -3.760 116.437 120.400 -0.338 0.000 2.372 96 K HA 0.092 4.229 4.320 -0.305 0.000 0.200 96 K C -1.078 175.389 176.600 -0.221 0.000 1.022 96 K CA -1.143 54.974 56.287 -0.284 0.000 1.125 96 K CB 0.026 32.454 32.500 -0.121 0.000 0.855 96 K HN -0.452 7.545 8.250 -0.228 0.117 0.524 97 H N -4.696 114.364 119.070 -0.018 0.000 2.626 97 H HA -0.434 4.232 4.556 -0.016 -0.120 0.317 97 H C -1.426 173.894 175.328 -0.013 0.000 1.140 97 H CA 0.415 56.454 56.048 -0.015 0.000 1.134 97 H CB -2.977 26.779 29.762 -0.010 0.000 1.486 97 H HN -0.491 7.434 8.280 -0.478 0.068 0.417 98 M N -3.163 116.468 119.600 0.051 0.000 2.528 98 M HA 0.213 4.720 4.480 0.045 0.000 0.318 98 M C 0.194 176.510 176.300 0.027 0.000 1.195 98 M CA -0.512 54.807 55.300 0.032 0.000 1.000 98 M CB 2.863 35.466 32.600 0.004 0.000 1.615 98 M HN -0.986 7.307 8.290 0.006 0.000 0.469 99 T N -2.204 112.366 114.554 0.028 0.000 2.860 99 T HA -0.021 4.348 4.350 0.030 0.000 0.299 99 T C 0.437 175.153 174.700 0.027 0.000 1.045 99 T CA -0.595 61.522 62.100 0.029 0.000 1.071 99 T CB 1.008 69.894 68.868 0.029 0.000 0.985 99 T HN 0.014 8.271 8.240 0.029 0.000 0.537 100 A N 2.156 125.000 122.820 0.041 0.000 1.908 100 A HA -0.364 3.965 4.320 0.016 0.000 0.218 100 A C 1.802 179.439 177.584 0.088 0.000 1.181 100 A CA 3.725 55.801 52.037 0.065 0.000 0.627 100 A CB -0.284 18.795 19.000 0.132 0.000 0.818 100 A HN 0.846 9.463 8.150 0.046 -0.440 0.445 101 D N -1.871 118.575 120.400 0.076 0.000 2.144 101 D HA -0.315 4.383 4.640 0.098 0.000 0.200 101 D C 1.949 178.294 176.300 0.074 0.000 0.978 101 D CA 3.266 57.310 54.000 0.074 0.000 0.833 101 D CB -0.778 40.047 40.800 0.042 0.000 0.961 101 D HN 0.174 8.575 8.370 0.062 0.007 0.470 102 A N -0.378 122.474 122.820 0.053 0.000 1.855 102 A HA -0.159 4.200 4.320 0.065 0.000 0.215 102 A C 1.875 179.501 177.584 0.069 0.000 1.191 102 A CA 2.977 55.049 52.037 0.058 0.000 0.613 102 A CB -0.662 18.359 19.000 0.034 0.000 0.829 102 A HN -0.458 7.641 8.150 0.042 0.076 0.442 103 A N -1.834 121.007 122.820 0.034 0.000 1.908 103 A HA -0.304 4.015 4.320 -0.001 0.000 0.218 103 A C 1.520 179.115 177.584 0.019 0.000 1.181 103 A CA 2.819 54.857 52.037 0.002 0.000 0.627 103 A CB -0.440 18.529 19.000 -0.052 0.000 0.818 103 A HN 0.408 8.466 8.150 0.026 0.108 0.445 104 A N -1.735 121.118 122.820 0.055 0.000 1.902 104 A HA -0.438 3.924 4.320 0.069 0.000 0.217 104 A C 1.157 178.799 177.584 0.097 0.000 1.181 104 A CA 3.091 55.185 52.037 0.095 0.000 0.623 104 A CB -0.724 18.378 19.000 0.170 0.000 0.818 104 A HN -0.217 7.969 8.150 0.061 0.000 0.443 105 H N -0.419 118.666 119.070 0.025 0.000 2.387 105 H HA -0.351 4.215 4.556 0.017 0.000 0.299 105 H C 1.918 177.249 175.328 0.006 0.000 1.090 105 H CA 3.643 59.700 56.048 0.015 0.000 1.332 105 H CB 0.189 29.958 29.762 0.011 0.000 1.386 105 H HN -0.402 8.005 8.280 0.211 0.000 0.516 106 E N -0.911 119.303 120.200 0.023 0.000 2.058 106 E HA -0.428 3.893 4.350 -0.048 0.000 0.194 106 E C 2.368 178.918 176.600 -0.083 0.000 0.997 106 E CA 3.257 59.634 56.400 -0.039 0.000 0.801 106 E CB -0.162 29.536 29.700 -0.004 0.000 0.746 106 E HN -0.645 7.774 8.360 0.098 0.000 0.450 107 V N -0.933 118.947 119.914 -0.057 0.000 2.295 107 V HA -0.421 3.670 4.120 -0.049 0.000 0.246 107 V C 1.885 177.931 176.094 -0.080 0.000 1.049 107 V CA 4.319 66.588 62.300 -0.053 0.000 1.024 107 V CB -0.319 31.490 31.823 -0.023 0.000 0.648 107 V HN -0.782 7.388 8.190 -0.032 0.000 0.447 108 I N -1.250 119.254 120.570 -0.109 0.000 2.361 108 I HA -0.472 3.647 4.170 -0.084 0.000 0.251 108 I C 2.292 178.285 176.117 -0.207 0.000 1.133 108 I CA 2.048 63.264 61.300 -0.139 0.000 1.413 108 I CB -1.651 36.262 38.000 -0.145 0.000 1.073 108 I HN -0.478 7.677 8.210 -0.093 0.000 0.424 109 E N 0.323 120.345 120.200 -0.296 0.000 2.085 109 E HA -0.335 3.846 4.350 -0.281 0.000 0.194 109 E C 2.319 178.843 176.600 -0.127 0.000 0.994 109 E CA 3.238 59.487 56.400 -0.251 0.000 0.801 109 E CB -0.517 29.047 29.700 -0.228 0.000 0.743 109 E HN 0.420 8.461 8.360 -0.321 0.126 0.453 110 G N -2.267 106.474 108.800 -0.098 0.000 2.492 110 G HA2 -0.108 3.819 3.960 -0.056 0.000 0.214 110 G HA3 -0.108 3.821 3.960 -0.053 0.000 0.214 110 G C 1.574 176.440 174.900 -0.056 0.000 1.147 110 G CA 1.221 46.283 45.100 -0.063 0.000 0.809 110 G HN -0.650 7.577 8.290 -0.104 0.000 0.533 111 Q N 2.024 121.789 119.800 -0.059 0.000 2.084 111 Q HA -0.348 3.969 4.340 -0.037 0.000 0.202 111 Q C 2.455 178.424 176.000 -0.052 0.000 0.978 111 Q CA 2.978 58.753 55.803 -0.046 0.000 0.844 111 Q CB -0.462 28.252 28.738 -0.039 0.000 0.898 111 Q HN -0.300 7.929 8.270 -0.069 0.000 0.426 112 A N -0.754 122.028 122.820 -0.064 0.000 1.872 112 A HA -0.215 4.069 4.320 -0.061 0.000 0.214 112 A C 1.913 179.465 177.584 -0.053 0.000 1.187 112 A CA 2.808 54.808 52.037 -0.062 0.000 0.614 112 A CB -0.570 18.389 19.000 -0.068 0.000 0.826 112 A HN -0.405 7.693 8.150 -0.077 0.006 0.442 113 S N -0.262 115.407 115.700 -0.052 0.000 2.382 113 S HA -0.374 4.074 4.470 -0.037 0.000 0.228 113 S C 1.943 176.521 174.600 -0.037 0.000 1.027 113 S CA 3.027 61.203 58.200 -0.040 0.000 0.991 113 S CB 0.102 63.279 63.200 -0.038 0.000 0.823 113 S HN -0.716 7.558 8.310 -0.060 0.000 0.469 114 A N 1.479 124.276 122.820 -0.038 0.000 1.902 114 A HA -0.158 4.344 4.320 -0.028 -0.200 0.217 114 A C 2.603 180.165 177.584 -0.036 0.000 1.181 114 A CA 2.572 54.590 52.037 -0.033 0.000 0.623 114 A CB -0.377 18.604 19.000 -0.031 0.000 0.818 114 A HN -0.081 8.033 8.150 -0.042 0.011 0.443 115 L N -2.376 118.819 121.223 -0.046 0.000 2.201 115 L HA -0.349 3.957 4.340 -0.056 0.000 0.212 115 L C 2.420 179.258 176.870 -0.053 0.000 1.105 115 L CA 2.543 57.348 54.840 -0.058 0.000 0.775 115 L CB -0.366 41.646 42.059 -0.079 0.000 0.913 115 L HN -0.600 7.601 8.230 -0.048 0.000 0.440 116 E N -1.215 118.958 120.200 -0.045 0.000 2.268 116 E HA -0.300 4.025 4.350 -0.041 0.000 0.195 116 E C 0.722 177.304 176.600 -0.029 0.000 0.995 116 E CA 2.206 58.584 56.400 -0.037 0.000 0.836 116 E CB -0.007 29.673 29.700 -0.032 0.000 0.763 116 E HN -0.662 7.546 8.360 -0.044 0.126 0.491 117 E N -3.815 116.369 120.200 -0.027 0.000 2.418 117 E HA -0.195 4.144 4.350 -0.018 0.000 0.197 117 E C 0.379 176.968 176.600 -0.018 0.000 1.026 117 E CA 0.344 56.732 56.400 -0.020 0.000 0.862 117 E CB 0.125 29.814 29.700 -0.018 0.000 0.799 117 E HN -0.637 7.562 8.360 -0.030 0.143 0.518 118 L N -0.921 120.289 121.223 -0.022 0.000 2.326 118 L HA 0.017 4.351 4.340 -0.010 0.000 0.278 118 L C 0.272 177.134 176.870 -0.015 0.000 1.092 118 L CA -0.196 54.634 54.840 -0.016 0.000 0.810 118 L CB 0.852 42.899 42.059 -0.020 0.000 1.153 118 L HN -0.760 7.278 8.230 -0.029 0.174 0.439 119 D N 3.589 123.985 120.400 -0.006 0.000 3.072 119 D HA 0.002 4.637 4.640 -0.008 0.000 0.250 119 D C -1.389 174.913 176.300 0.003 0.000 1.304 119 D CA -0.288 53.709 54.000 -0.004 0.000 0.861 119 D CB -0.418 40.380 40.800 -0.002 0.000 1.062 119 D HN 0.202 8.570 8.370 -0.003 0.000 0.481 120 D N -0.019 120.384 120.400 0.006 0.000 2.362 120 D HA 0.214 4.871 4.640 0.028 0.000 0.247 120 D C 0.284 176.598 176.300 0.024 0.000 1.050 120 D CA -1.209 52.807 54.000 0.028 0.000 0.839 120 D CB 2.919 43.753 40.800 0.058 0.000 1.283 120 D HN -0.891 7.398 8.370 -0.005 0.079 0.477 121 E N 5.737 125.960 120.200 0.039 0.000 2.118 121 E HA -0.372 3.984 4.350 0.010 0.000 0.195 121 E C 1.384 178.017 176.600 0.054 0.000 0.992 121 E CA 3.452 59.873 56.400 0.034 0.000 0.804 121 E CB -0.016 29.706 29.700 0.038 0.000 0.741 121 E HN 0.619 9.004 8.360 0.042 0.000 0.458 122 Y N 0.714 120.997 120.300 -0.029 0.000 2.130 122 Y HA -0.352 4.173 4.550 -0.042 0.000 0.287 122 Y C 1.212 177.092 175.900 -0.034 0.000 1.124 122 Y CA 4.010 62.087 58.100 -0.037 0.000 1.118 122 Y CB -0.403 38.032 38.460 -0.043 0.000 0.994 122 Y HN -0.691 7.919 8.280 0.195 -0.213 0.497 123 L N -2.168 118.888 121.223 -0.278 0.000 2.046 123 L HA -0.479 3.477 4.340 -0.640 0.000 0.208 123 L C 2.182 178.911 176.870 -0.236 0.000 1.077 123 L CA 2.871 57.497 54.840 -0.356 0.000 0.747 123 L CB -0.549 41.443 42.059 -0.111 0.000 0.896 123 L HN -0.334 7.927 8.230 0.051 0.000 0.432 124 K N -0.631 119.690 120.400 -0.131 0.000 2.026 124 K HA -0.387 3.882 4.320 -0.085 0.000 0.208 124 K C 2.363 178.898 176.600 -0.108 0.000 1.048 124 K CA 3.213 59.445 56.287 -0.092 0.000 0.929 124 K CB -0.065 32.405 32.500 -0.051 0.000 0.713 124 K HN 0.305 8.389 8.250 -0.087 0.113 0.439 125 E N -1.927 118.205 120.200 -0.114 0.000 2.160 125 E HA -0.321 3.984 4.350 -0.074 0.000 0.195 125 E C 2.388 178.908 176.600 -0.134 0.000 0.991 125 E CA 2.714 59.053 56.400 -0.101 0.000 0.810 125 E CB -0.453 29.204 29.700 -0.070 0.000 0.742 125 E HN -0.501 7.796 8.360 -0.104 0.000 0.466 126 R N -1.198 119.167 120.500 -0.224 0.000 2.152 126 R HA -0.296 4.003 4.340 -0.068 0.000 0.232 126 R C 1.792 178.029 176.300 -0.105 0.000 1.117 126 R CA 3.036 59.026 56.100 -0.183 0.000 0.981 126 R CB -0.172 29.903 30.300 -0.376 0.000 0.870 126 R HN -0.077 7.883 8.270 -0.309 0.125 0.451 127 A N -0.928 121.823 122.820 -0.115 0.000 1.858 127 A HA -0.287 3.986 4.320 -0.078 0.000 0.216 127 A C 1.494 179.031 177.584 -0.079 0.000 1.190 127 A CA 3.114 55.100 52.037 -0.084 0.000 0.617 127 A CB -0.838 18.118 19.000 -0.074 0.000 0.827 127 A HN -0.160 7.750 8.150 -0.135 0.158 0.443 128 A N -2.143 120.630 122.820 -0.079 0.000 1.898 128 A HA -0.318 3.965 4.320 -0.063 0.000 0.216 128 A C 1.980 179.500 177.584 -0.107 0.000 1.181 128 A CA 3.060 55.051 52.037 -0.076 0.000 0.620 128 A CB -0.656 18.305 19.000 -0.064 0.000 0.819 128 A HN -0.535 7.566 8.150 -0.080 0.000 0.442 129 D N -1.188 119.131 120.400 -0.135 0.000 2.178 129 D HA -0.233 4.265 4.640 -0.235 0.000 0.201 129 D C 2.515 178.612 176.300 -0.338 0.000 0.980 129 D CA 3.262 57.109 54.000 -0.256 0.000 0.842 129 D CB -0.499 40.150 40.800 -0.252 0.000 0.948 129 D HN -0.206 8.099 8.370 -0.109 0.000 0.472 130 V N 0.176 119.970 119.914 -0.200 0.000 2.358 130 V HA -0.396 3.608 4.120 -0.193 0.000 0.246 130 V C 1.336 177.363 176.094 -0.112 0.000 1.047 130 V CA 3.543 65.756 62.300 -0.145 0.000 1.035 130 V CB -0.223 31.565 31.823 -0.058 0.000 0.658 130 V HN 0.198 8.194 8.190 -0.127 0.118 0.452 131 R N -0.411 120.033 120.500 -0.092 0.000 2.105 131 R HA -0.455 3.853 4.340 -0.052 0.000 0.239 131 R C 1.602 177.872 176.300 -0.050 0.000 1.135 131 R CA 3.787 59.852 56.100 -0.058 0.000 0.967 131 R CB -0.375 29.900 30.300 -0.043 0.000 0.861 131 R HN -0.608 7.606 8.270 -0.094 0.000 0.442 132 D N -0.963 119.387 120.400 -0.082 0.000 2.149 132 D HA -0.207 4.411 4.640 -0.037 0.000 0.198 132 D C 2.244 178.507 176.300 -0.062 0.000 0.990 132 D CA 3.119 57.078 54.000 -0.069 0.000 0.839 132 D CB -0.405 40.336 40.800 -0.098 0.000 0.948 132 D HN -0.526 7.679 8.370 -0.112 0.098 0.460 133 I N -2.011 118.502 120.570 -0.096 0.000 2.226 133 I HA -0.377 3.764 4.170 -0.049 0.000 0.245 133 I C 1.833 177.941 176.117 -0.015 0.000 1.100 133 I CA 3.141 64.405 61.300 -0.059 0.000 1.374 133 I CB -0.449 37.509 38.000 -0.070 0.000 1.057 133 I HN -0.821 7.191 8.210 -0.145 0.110 0.413 134 G N -0.981 107.816 108.800 -0.004 0.000 2.402 134 G HA2 -0.325 3.664 3.960 0.047 0.000 0.216 134 G HA3 -0.325 3.663 3.960 0.046 0.000 0.216 134 G C 1.024 175.957 174.900 0.055 0.000 1.162 134 G CA 1.838 46.962 45.100 0.039 0.000 0.777 134 G HN -0.568 7.617 8.290 -0.024 0.091 0.539 135 K N 2.147 122.571 120.400 0.041 0.000 2.063 135 K HA -0.410 3.941 4.320 0.052 0.000 0.208 135 K C 2.444 179.057 176.600 0.021 0.000 1.048 135 K CA 3.653 59.962 56.287 0.036 0.000 0.928 135 K CB -0.266 32.247 32.500 0.021 0.000 0.713 135 K HN -0.423 7.842 8.250 0.025 0.000 0.442 136 R N -1.349 119.157 120.500 0.010 0.000 2.081 136 R HA -0.311 4.031 4.340 0.003 0.000 0.235 136 R C 2.495 178.797 176.300 0.005 0.000 1.131 136 R CA 3.199 59.301 56.100 0.003 0.000 0.960 136 R CB -0.205 30.093 30.300 -0.003 0.000 0.856 136 R HN -0.392 7.873 8.270 0.004 0.007 0.436 137 L N 0.616 121.846 121.223 0.011 0.000 2.046 137 L HA -0.245 4.087 4.340 -0.013 0.000 0.208 137 L C 1.674 178.561 176.870 0.029 0.000 1.077 137 L CA 2.994 57.841 54.840 0.011 0.000 0.747 137 L CB -0.142 41.935 42.059 0.029 0.000 0.896 137 L HN -0.625 7.614 8.230 0.015 0.000 0.432 138 L N -1.826 119.423 121.223 0.042 0.000 2.017 138 L HA -0.414 3.956 4.340 0.049 0.000 0.208 138 L C 2.547 179.429 176.870 0.020 0.000 1.073 138 L CA 3.227 58.090 54.840 0.039 0.000 0.745 138 L CB -0.626 41.456 42.059 0.038 0.000 0.894 138 L HN -0.103 8.156 8.230 0.048 0.000 0.432 139 R N -1.959 118.549 120.500 0.014 0.000 2.120 139 R HA -0.434 3.909 4.340 0.005 0.000 0.234 139 R C 2.415 178.718 176.300 0.005 0.000 1.123 139 R CA 3.968 60.072 56.100 0.007 0.000 0.975 139 R CB -0.385 29.917 30.300 0.004 0.000 0.866 139 R HN 0.111 8.391 8.270 0.016 0.000 0.446 140 N N -0.704 117.998 118.700 0.003 0.000 2.207 140 N HA -0.197 4.542 4.740 -0.003 0.000 0.182 140 N C 2.735 178.248 175.510 0.004 0.000 1.020 140 N CA 3.113 56.162 53.050 -0.002 0.000 0.858 140 N CB 0.087 38.566 38.487 -0.013 0.000 0.991 140 N HN -0.497 7.780 8.380 0.004 0.105 0.427 141 I N 0.844 121.422 120.570 0.013 0.000 2.286 141 I HA -0.420 3.763 4.170 0.022 0.000 0.248 141 I C 0.558 176.688 176.117 0.021 0.000 1.115 141 I CA 3.621 64.936 61.300 0.025 0.000 1.392 141 I CB 0.078 38.107 38.000 0.048 0.000 1.065 141 I HN -0.189 8.030 8.210 0.016 0.000 0.418 142 L N -6.414 114.818 121.223 0.016 0.000 2.558 142 L HA -0.000 4.348 4.340 0.013 0.000 0.225 142 L C 0.401 177.275 176.870 0.007 0.000 1.128 142 L CA -0.347 54.500 54.840 0.011 0.000 0.868 142 L CB 0.346 42.409 42.059 0.007 0.000 1.006 142 L HN -0.675 7.553 8.230 0.015 0.012 0.454 143 G N -1.316 107.487 108.800 0.006 0.000 2.176 143 G HA2 -0.386 3.575 3.960 0.002 0.000 0.252 143 G HA3 -0.386 3.576 3.960 0.004 0.000 0.252 143 G C 0.125 175.027 174.900 0.002 0.000 1.024 143 G CA 0.400 45.502 45.100 0.003 0.000 0.755 143 G HN -0.689 7.419 8.290 0.007 0.186 0.507 144 L N -0.895 120.329 121.223 0.002 0.000 2.483 144 L HA -0.111 4.229 4.340 0.001 0.000 0.276 144 L C -0.027 176.844 176.870 0.001 0.000 1.213 144 L CA 0.621 55.462 54.840 0.001 0.000 0.843 144 L CB 0.887 42.947 42.059 0.001 0.000 1.107 144 L HN -0.525 7.680 8.230 0.003 0.027 0.487 145 K N 3.838 124.239 120.400 0.002 0.000 2.382 145 K HA -0.074 4.247 4.320 0.001 0.000 0.275 145 K C -0.812 175.789 176.600 0.002 0.000 1.009 145 K CA -0.145 56.143 56.287 0.002 0.000 0.970 145 K CB 0.215 32.716 32.500 0.002 0.000 0.934 145 K HN 0.044 8.295 8.250 0.002 0.000 0.479 146 I N 2.236 122.807 120.570 0.002 0.000 2.392 146 I HA 0.025 4.197 4.170 0.003 0.000 0.295 146 I C -0.134 175.986 176.117 0.004 0.000 0.985 146 I CA -1.139 60.162 61.300 0.002 0.000 1.221 146 I CB 1.936 39.936 38.000 -0.000 0.000 1.366 146 I HN 0.008 8.218 8.210 0.001 0.000 0.467 147 I N 6.245 126.819 120.570 0.006 0.000 2.396 147 I HA -0.131 4.044 4.170 0.008 0.000 0.289 147 I C -0.645 175.478 176.117 0.009 0.000 1.056 147 I CA -0.036 61.269 61.300 0.009 0.000 1.365 147 I CB 0.446 38.454 38.000 0.012 0.000 1.407 147 I HN 0.212 8.426 8.210 0.006 0.000 0.509 148 D N 8.789 129.194 120.400 0.008 0.000 2.456 148 D HA 0.224 4.867 4.640 0.006 0.000 0.219 148 D C 0.597 176.905 176.300 0.013 0.000 1.126 148 D CA -0.504 53.501 54.000 0.008 0.000 0.890 148 D CB -0.304 40.499 40.800 0.004 0.000 1.025 148 D HN 0.364 8.739 8.370 0.008 0.000 0.511 149 L N 2.637 123.871 121.223 0.018 0.000 2.376 149 L HA -0.124 4.231 4.340 0.026 0.000 0.219 149 L C 0.895 177.780 176.870 0.025 0.000 1.133 149 L CA 1.480 56.336 54.840 0.026 0.000 0.816 149 L CB 0.033 42.115 42.059 0.038 0.000 0.933 149 L HN -0.005 8.235 8.230 0.017 0.000 0.449 150 S N -1.811 113.899 115.700 0.017 0.000 2.603 150 S HA -0.122 4.359 4.470 0.019 0.000 0.220 150 S C 0.374 174.980 174.600 0.009 0.000 0.967 150 S CA 0.367 58.574 58.200 0.013 0.000 0.920 150 S CB -0.532 62.671 63.200 0.004 0.000 0.773 150 S HN -0.112 8.162 8.310 0.013 0.044 0.529 151 A N 1.320 124.146 122.820 0.009 0.000 2.507 151 A HA 0.182 4.505 4.320 0.005 0.000 0.270 151 A C -0.118 177.471 177.584 0.008 0.000 1.318 151 A CA -0.557 51.484 52.037 0.007 0.000 0.924 151 A CB 0.464 19.467 19.000 0.006 0.000 1.061 151 A HN -0.734 7.336 8.150 0.011 0.087 0.516 152 I N -1.466 119.110 120.570 0.011 0.000 2.556 152 I HA -0.196 3.980 4.170 0.010 0.000 0.284 152 I C 0.524 176.645 176.117 0.007 0.000 1.114 152 I CA 1.062 62.368 61.300 0.010 0.000 1.418 152 I CB 0.576 38.583 38.000 0.013 0.000 1.394 152 I HN -0.674 7.461 8.210 0.013 0.083 0.552 153 Q N 3.676 123.480 119.800 0.006 0.000 2.316 153 Q HA 0.014 4.357 4.340 0.004 0.000 0.235 153 Q C -0.971 175.032 176.000 0.005 0.000 0.863 153 Q CA 0.056 55.862 55.803 0.005 0.000 0.939 153 Q CB 0.931 29.672 28.738 0.006 0.000 1.108 153 Q HN 0.297 8.571 8.270 0.007 0.000 0.522 154 D N 0.443 120.846 120.400 0.005 0.000 2.278 154 D HA 0.163 4.807 4.640 0.007 0.000 0.245 154 D C -1.285 175.015 176.300 -0.000 0.000 1.052 154 D CA -0.784 53.220 54.000 0.005 0.000 0.834 154 D CB 1.039 41.844 40.800 0.009 0.000 1.194 154 D HN -0.325 8.048 8.370 0.006 0.000 0.481 155 E N 3.178 123.377 120.200 -0.002 0.000 2.299 155 E HA 0.047 4.575 4.350 -0.019 -0.189 0.272 155 E C -0.567 176.020 176.600 -0.022 0.000 1.043 155 E CA 0.363 56.755 56.400 -0.014 0.000 0.895 155 E CB 0.245 29.937 29.700 -0.012 0.000 1.011 155 E HN 0.337 8.698 8.360 0.002 0.000 0.432 156 V N -2.300 117.591 119.914 -0.038 0.000 3.181 156 V HA 0.501 4.589 4.120 -0.053 0.000 0.307 156 V C -2.066 173.979 176.094 -0.082 0.000 1.310 156 V CA -2.782 59.487 62.300 -0.051 0.000 1.067 156 V CB 2.972 34.776 31.823 -0.032 0.000 1.081 156 V HN -0.455 7.710 8.190 -0.041 0.000 0.453 157 I N -1.413 119.102 120.570 -0.092 0.000 2.472 157 I HA -0.033 4.042 4.170 -0.158 0.000 0.290 157 I C -1.584 174.493 176.117 -0.066 0.000 1.016 157 I CA -0.298 60.934 61.300 -0.112 0.000 1.348 157 I CB 0.552 38.483 38.000 -0.116 0.000 1.417 157 I HN -0.332 7.826 8.210 -0.086 0.000 0.521 158 L N 7.158 128.347 121.223 -0.057 0.000 2.264 158 L HA 0.279 4.632 4.340 0.021 0.000 0.289 158 L C -2.132 174.765 176.870 0.046 0.000 1.044 158 L CA -0.514 54.341 54.840 0.025 0.000 0.807 158 L CB 1.731 43.853 42.059 0.105 0.000 1.192 158 L HN -0.304 7.855 8.230 -0.120 0.000 0.425 159 V N 8.177 128.114 119.914 0.039 0.000 2.540 159 V HA 0.971 5.387 4.120 0.048 -0.267 0.302 159 V C -1.887 174.234 176.094 0.045 0.000 1.035 159 V CA -1.830 60.493 62.300 0.038 0.000 0.873 159 V CB 2.885 34.718 31.823 0.018 0.000 0.992 159 V HN -0.105 8.105 8.190 0.032 0.000 0.428 160 A N 4.695 127.545 122.820 0.050 0.000 2.605 160 A HA 0.458 4.799 4.320 0.035 0.000 0.294 160 A C -1.678 175.928 177.584 0.036 0.000 1.062 160 A CA -0.889 51.174 52.037 0.043 0.000 0.682 160 A CB 3.275 22.306 19.000 0.052 0.000 1.278 160 A HN -0.294 7.888 8.150 0.054 0.000 0.410 161 A N -0.471 122.366 122.820 0.027 0.000 1.933 161 A HA -0.256 4.184 4.320 0.020 -0.107 0.218 161 A C -0.592 177.006 177.584 0.024 0.000 1.175 161 A CA 1.930 53.980 52.037 0.022 0.000 0.628 161 A CB -0.006 19.004 19.000 0.016 0.000 0.814 161 A HN 0.600 8.765 8.150 0.025 0.000 0.444 162 D N -5.273 115.143 120.400 0.027 0.000 2.720 162 D HA 0.010 4.669 4.640 0.032 0.000 0.239 162 D C -1.738 174.579 176.300 0.029 0.000 1.218 162 D CA -0.184 53.832 54.000 0.027 0.000 0.748 162 D CB 1.436 42.246 40.800 0.017 0.000 1.387 162 D HN -0.397 7.979 8.370 0.027 0.009 0.438 163 L N 0.830 122.073 121.223 0.033 0.000 2.346 163 L HA 0.363 4.719 4.340 0.026 0.000 0.274 163 L C -0.023 176.850 176.870 0.006 0.000 1.007 163 L CA -1.526 53.332 54.840 0.030 0.000 0.818 163 L CB 2.945 45.033 42.059 0.049 0.000 1.284 163 L HN 0.034 8.287 8.230 0.037 0.000 0.424 164 T N -0.242 114.303 114.554 -0.015 0.000 2.913 164 T HA 0.446 4.752 4.350 -0.073 0.000 0.287 164 T C -0.548 174.080 174.700 -0.121 0.000 1.008 164 T CA -2.599 59.464 62.100 -0.063 0.000 1.067 164 T CB 1.238 70.077 68.868 -0.049 0.000 0.996 164 T HN -0.198 8.285 8.240 -0.002 -0.244 0.513 165 P HA -0.216 3.609 4.420 -0.991 0.000 0.218 165 P C 1.777 179.102 177.300 0.043 0.000 1.154 165 P CA 2.960 65.793 63.100 -0.445 0.000 0.872 165 P CB 0.055 31.478 31.700 -0.463 0.000 0.790 166 S N -2.581 113.211 115.700 0.155 0.000 2.356 166 S HA -0.393 4.353 4.470 0.461 0.000 0.223 166 S C 1.996 176.658 174.600 0.104 0.000 1.032 166 S CA 3.877 62.236 58.200 0.265 0.000 1.005 166 S CB -0.474 62.846 63.200 0.200 0.000 0.867 166 S HN -0.199 8.126 8.310 0.044 0.011 0.449 167 E N 0.309 120.544 120.200 0.058 0.000 2.077 167 E HA -0.417 3.956 4.350 0.040 0.000 0.193 167 E C 2.178 178.820 176.600 0.070 0.000 0.989 167 E CA 2.995 59.424 56.400 0.048 0.000 0.800 167 E CB -0.120 29.602 29.700 0.036 0.000 0.746 167 E HN -0.749 7.635 8.360 0.040 0.000 0.452 168 T N -1.443 113.160 114.554 0.081 0.000 2.821 168 T HA -0.256 4.166 4.350 0.120 0.000 0.267 168 T C 2.150 176.987 174.700 0.228 0.000 1.046 168 T CA 3.312 65.498 62.100 0.144 0.000 1.139 168 T CB -0.479 68.503 68.868 0.190 0.000 0.871 168 T HN -0.135 8.131 8.240 0.044 0.000 0.454 169 A N 2.614 125.577 122.820 0.237 0.000 1.972 169 A HA -0.318 4.300 4.320 0.497 0.000 0.219 169 A C 0.884 178.508 177.584 0.066 0.000 1.169 169 A CA 2.960 55.149 52.037 0.253 0.000 0.635 169 A CB -0.469 18.612 19.000 0.134 0.000 0.810 169 A HN 0.356 8.509 8.150 0.189 0.110 0.446 170 Q N -6.801 113.016 119.800 0.029 0.000 2.319 170 Q HA -0.024 4.292 4.340 -0.040 0.000 0.202 170 Q C -0.119 175.892 176.000 0.019 0.000 0.896 170 Q CA -0.828 54.969 55.803 -0.009 0.000 0.942 170 Q CB 0.507 29.230 28.738 -0.025 0.000 1.083 170 Q HN -0.626 7.657 8.270 0.049 0.017 0.510 171 L N 1.510 122.768 121.223 0.058 0.000 2.483 171 L HA -0.113 4.270 4.340 0.071 0.000 0.276 171 L C -0.983 175.925 176.870 0.062 0.000 1.213 171 L CA 0.644 55.532 54.840 0.080 0.000 0.843 171 L CB 0.870 43.008 42.059 0.130 0.000 1.107 171 L HN -0.663 7.428 8.230 0.082 0.189 0.487 172 N N 3.095 121.834 118.700 0.066 0.000 2.439 172 N HA 0.033 4.784 4.740 0.018 0.000 0.249 172 N C 0.431 175.989 175.510 0.079 0.000 1.003 172 N CA -0.792 52.284 53.050 0.044 0.000 0.942 172 N CB 0.320 38.823 38.487 0.027 0.000 1.115 172 N HN 0.278 8.703 8.380 0.074 0.000 0.505 173 L N 3.265 124.532 121.223 0.073 0.000 2.376 173 L HA -0.262 4.210 4.340 0.220 0.000 0.219 173 L C 0.469 177.376 176.870 0.062 0.000 1.133 173 L CA 1.617 56.530 54.840 0.121 0.000 0.816 173 L CB -0.241 41.877 42.059 0.099 0.000 0.933 173 L HN 0.520 8.768 8.230 0.031 0.000 0.449 174 K N -4.019 116.399 120.400 0.030 0.000 2.305 174 K HA -0.152 4.173 4.320 0.009 0.000 0.199 174 K C 1.125 177.727 176.600 0.004 0.000 1.047 174 K CA 1.542 57.836 56.287 0.011 0.000 0.976 174 K CB 0.186 32.688 32.500 0.003 0.000 0.765 174 K HN -0.326 8.199 8.250 0.025 -0.261 0.474 175 K N -3.110 117.296 120.400 0.011 0.000 2.353 175 K HA 0.083 4.401 4.320 -0.004 0.000 0.195 175 K C -0.854 175.738 176.600 -0.013 0.000 1.031 175 K CA -0.424 55.864 56.287 0.002 0.000 1.079 175 K CB 1.228 33.734 32.500 0.010 0.000 0.857 175 K HN -0.612 7.625 8.250 0.024 0.027 0.535 176 V N -0.211 119.691 119.914 -0.020 0.000 2.398 176 V HA 0.073 4.144 4.120 -0.082 0.000 0.286 176 V C -0.435 175.543 176.094 -0.193 0.000 1.026 176 V CA -0.366 61.880 62.300 -0.091 0.000 0.868 176 V CB 0.900 32.699 31.823 -0.041 0.000 0.982 176 V HN -0.800 7.346 8.190 0.006 0.047 0.443 177 L N 5.766 126.859 121.223 -0.216 0.000 2.509 177 L HA 0.128 4.368 4.340 -0.168 0.000 0.222 177 L C -0.351 176.301 176.870 -0.362 0.000 1.123 177 L CA -0.228 54.480 54.840 -0.220 0.000 0.856 177 L CB 0.963 42.935 42.059 -0.144 0.000 0.985 177 L HN 0.199 8.321 8.230 -0.180 0.000 0.456 178 G N -4.568 103.865 108.800 -0.611 0.000 2.322 178 G HA2 0.055 3.396 3.960 -1.031 0.000 0.295 178 G HA3 0.055 3.742 3.960 -0.455 0.000 0.295 178 G C -2.700 171.557 174.900 -1.073 0.000 1.369 178 G CA 0.518 45.118 45.100 -0.832 0.000 0.821 178 G HN -0.819 7.068 8.290 -0.592 0.048 0.536 179 F N -2.263 117.685 119.950 -0.004 0.000 2.547 179 F HA 0.553 5.208 4.527 0.006 -0.124 0.316 179 F C -1.655 174.141 175.800 -0.006 0.000 1.121 179 F CA -1.309 56.694 58.000 0.005 0.000 0.911 179 F CB 3.806 42.819 39.000 0.022 0.000 1.179 179 F HN -0.457 7.695 8.300 -0.246 0.000 0.443 180 I N 3.405 124.057 120.570 0.136 0.000 2.503 180 I HA 0.590 5.001 4.170 0.075 -0.196 0.282 180 I C -1.393 174.765 176.117 0.069 0.000 1.059 180 I CA -0.799 60.544 61.300 0.071 0.000 1.081 180 I CB 2.514 40.523 38.000 0.015 0.000 1.210 180 I HN 0.622 8.913 8.210 0.136 0.000 0.450 181 T N 3.335 117.929 114.554 0.066 0.000 2.907 181 T HA 0.725 5.220 4.350 0.045 -0.118 0.290 181 T C -0.497 174.221 174.700 0.030 0.000 1.066 181 T CA -2.567 59.562 62.100 0.049 0.000 1.012 181 T CB 3.160 72.062 68.868 0.057 0.000 1.184 181 T HN -0.051 8.230 8.240 0.069 0.000 0.522 182 D N -0.093 120.320 120.400 0.023 0.000 2.889 182 D HA 0.068 4.907 4.640 0.010 -0.193 0.243 182 D C -0.788 175.519 176.300 0.012 0.000 1.270 182 D CA -1.048 52.960 54.000 0.013 0.000 0.838 182 D CB -1.384 39.422 40.800 0.010 0.000 1.040 182 D HN -0.109 8.276 8.370 0.025 0.000 0.480 183 A N -1.001 121.827 122.820 0.014 0.000 3.150 183 A HA 0.174 4.498 4.320 0.007 0.000 0.328 183 A C -1.001 176.586 177.584 0.005 0.000 1.104 183 A CA -1.112 50.931 52.037 0.010 0.000 0.937 183 A CB 0.057 19.065 19.000 0.014 0.000 1.073 183 A HN -0.715 7.361 8.150 0.019 0.085 0.497 184 G N -0.555 108.247 108.800 0.003 0.000 2.508 184 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.301 184 G HA3 -0.050 3.909 3.960 -0.002 0.000 0.301 184 G C -1.016 173.882 174.900 -0.004 0.000 0.965 184 G CA 0.122 45.221 45.100 -0.001 0.000 1.339 184 G HN -0.084 8.208 8.290 0.003 0.000 0.455 185 G N 2.235 111.031 108.800 -0.006 0.000 2.732 185 G HA2 0.108 4.063 3.960 -0.008 0.000 0.296 185 G HA3 0.108 4.064 3.960 -0.006 0.000 0.296 185 G C -0.848 174.044 174.900 -0.014 0.000 1.448 185 G CA -0.167 44.928 45.100 -0.008 0.000 0.911 185 G HN -0.755 7.530 8.290 -0.008 0.000 0.528 186 R N 1.631 122.122 120.500 -0.015 0.000 2.159 186 R HA -0.239 4.085 4.340 -0.026 0.000 0.237 186 R C -0.244 176.042 176.300 -0.024 0.000 1.131 186 R CA 2.156 58.243 56.100 -0.021 0.000 0.982 186 R CB -0.253 30.037 30.300 -0.017 0.000 0.868 186 R HN 0.395 8.658 8.270 -0.012 0.000 0.453 187 T N -5.980 108.565 114.554 -0.014 0.000 3.219 187 T HA 0.017 4.360 4.350 -0.011 0.000 0.249 187 T C -0.482 174.218 174.700 -0.001 0.000 1.099 187 T CA -0.472 61.623 62.100 -0.008 0.000 0.988 187 T CB -0.101 68.765 68.868 -0.003 0.000 0.999 187 T HN -0.403 7.801 8.240 -0.011 0.029 0.550 188 S N 4.107 119.802 115.700 -0.009 0.000 2.455 188 S HA -0.024 4.458 4.470 0.020 0.000 0.278 188 S C -0.198 174.398 174.600 -0.006 0.000 1.216 188 S CA 0.431 58.633 58.200 0.003 0.000 1.055 188 S CB 0.406 63.602 63.200 -0.006 0.000 0.939 188 S HN -0.210 7.883 8.310 -0.017 0.206 0.494 189 H N 8.291 127.321 119.070 -0.066 0.000 2.387 189 H HA -0.360 4.129 4.556 -0.113 0.000 0.299 189 H C 1.567 176.821 175.328 -0.123 0.000 1.090 189 H CA 4.483 60.472 56.048 -0.099 0.000 1.332 189 H CB 0.158 29.868 29.762 -0.088 0.000 1.386 189 H HN 0.630 8.986 8.280 0.126 0.000 0.516 190 T N -3.421 111.125 114.554 -0.013 0.000 2.720 190 T HA -0.444 3.816 4.350 -0.150 0.000 0.268 190 T C 1.943 176.546 174.700 -0.161 0.000 1.037 190 T CA 4.121 66.159 62.100 -0.103 0.000 1.144 190 T CB -1.068 67.783 68.868 -0.028 0.000 0.864 190 T HN 0.213 8.473 8.240 0.055 0.013 0.444 191 S N 1.512 117.145 115.700 -0.111 0.000 2.382 191 S HA -0.239 4.198 4.470 -0.056 0.000 0.228 191 S C 2.161 176.671 174.600 -0.151 0.000 1.027 191 S CA 3.379 61.523 58.200 -0.094 0.000 0.991 191 S CB -0.495 62.666 63.200 -0.065 0.000 0.823 191 S HN -0.684 7.574 8.310 -0.078 0.005 0.469 192 I N 0.580 121.000 120.570 -0.251 0.000 2.264 192 I HA -0.501 3.539 4.170 -0.215 0.000 0.248 192 I C 1.827 177.765 176.117 -0.299 0.000 1.111 192 I CA 3.311 64.422 61.300 -0.316 0.000 1.382 192 I CB -0.315 37.371 38.000 -0.524 0.000 1.060 192 I HN -0.959 6.982 8.210 -0.273 0.104 0.418 193 M N -1.317 118.076 119.600 -0.344 0.000 2.117 193 M HA -0.484 3.930 4.480 -0.109 0.000 0.262 193 M C 1.999 178.253 176.300 -0.077 0.000 1.065 193 M CA 4.182 59.358 55.300 -0.206 0.000 1.114 193 M CB -0.509 31.878 32.600 -0.354 0.000 1.361 193 M HN -0.697 7.250 8.290 -0.406 0.099 0.408 194 A N -0.568 122.205 122.820 -0.078 0.000 1.877 194 A HA -0.363 4.043 4.320 0.143 0.000 0.216 194 A C 2.026 179.629 177.584 0.031 0.000 1.186 194 A CA 3.192 55.258 52.037 0.049 0.000 0.620 194 A CB -0.692 18.346 19.000 0.063 0.000 0.822 194 A HN -0.402 7.661 8.150 -0.146 0.000 0.443 195 R N -3.282 117.209 120.500 -0.015 0.000 2.073 195 R HA -0.296 4.045 4.340 0.003 0.000 0.234 195 R C 2.358 178.663 176.300 0.008 0.000 1.134 195 R CA 2.738 58.831 56.100 -0.010 0.000 0.952 195 R CB -0.006 30.270 30.300 -0.039 0.000 0.850 195 R HN -0.335 7.905 8.270 -0.051 0.000 0.433 196 S N -2.027 113.678 115.700 0.008 0.000 2.383 196 S HA -0.169 4.325 4.470 0.039 0.000 0.227 196 S C 1.328 175.977 174.600 0.083 0.000 1.026 196 S CA 2.465 60.696 58.200 0.052 0.000 0.981 196 S CB 0.660 63.914 63.200 0.091 0.000 0.818 196 S HN -0.348 7.946 8.310 -0.025 0.000 0.472 197 L N -1.818 119.465 121.223 0.100 0.000 2.567 197 L HA 0.045 4.445 4.340 0.100 0.000 0.225 197 L C -0.408 176.518 176.870 0.094 0.000 1.119 197 L CA 0.312 55.220 54.840 0.113 0.000 0.871 197 L CB 0.400 42.560 42.059 0.168 0.000 1.036 197 L HN -0.190 8.095 8.230 0.092 0.000 0.459 198 E N -6.397 113.849 120.200 0.076 0.000 3.146 198 E HA -0.437 3.974 4.350 0.049 -0.031 0.277 198 E C -0.727 175.915 176.600 0.069 0.000 1.003 198 E CA 1.251 57.687 56.400 0.059 0.000 0.861 198 E CB -2.133 27.592 29.700 0.042 0.000 1.436 198 E HN 0.049 8.214 8.360 0.068 0.235 0.455 199 L N -1.748 119.542 121.223 0.111 0.000 2.439 199 L HA 0.052 4.424 4.340 0.053 0.000 0.269 199 L C -1.832 175.085 176.870 0.078 0.000 1.179 199 L CA -1.580 53.319 54.840 0.097 0.000 0.828 199 L CB -0.326 41.831 42.059 0.163 0.000 1.106 199 L HN -0.635 7.608 8.230 0.147 0.075 0.467 200 P HA -0.190 4.412 4.420 0.007 -0.178 0.264 200 P C -1.646 175.668 177.300 0.025 0.000 1.183 200 P CA 0.202 63.300 63.100 -0.002 0.000 0.763 200 P CB -0.034 31.633 31.700 -0.055 0.000 0.807 201 A N 0.792 123.639 122.820 0.045 0.000 2.586 201 A HA 0.606 5.060 4.320 0.068 -0.094 0.290 201 A C -2.268 175.346 177.584 0.050 0.000 1.086 201 A CA -0.709 51.381 52.037 0.089 0.000 0.665 201 A CB 3.834 22.961 19.000 0.210 0.000 1.279 201 A HN -0.434 7.733 8.150 0.029 0.000 0.423 202 I N -3.078 117.525 120.570 0.056 0.000 3.006 202 I HA 0.348 4.530 4.170 0.020 0.000 0.306 202 I C -1.377 174.762 176.117 0.037 0.000 1.250 202 I CA -0.896 60.421 61.300 0.028 0.000 0.996 202 I CB 4.316 42.318 38.000 0.004 0.000 1.261 202 I HN -0.179 8.084 8.210 0.087 0.000 0.442 203 V N -0.531 119.396 119.914 0.021 0.000 3.294 203 V HA 0.537 4.809 4.120 0.032 -0.134 0.255 203 V C 0.281 176.381 176.094 0.010 0.000 1.528 203 V CA 0.894 63.206 62.300 0.021 0.000 1.086 203 V CB 1.220 33.052 31.823 0.014 0.000 0.906 203 V HN 0.365 8.562 8.190 0.011 0.000 0.433 204 G N 1.601 110.403 108.800 0.003 0.000 3.471 204 G HA2 0.117 4.077 3.960 -0.000 0.000 0.254 204 G HA3 0.117 4.074 3.960 -0.005 0.000 0.254 204 G C 0.062 174.959 174.900 -0.005 0.000 1.199 204 G CA 0.117 45.215 45.100 -0.002 0.000 1.683 204 G HN 0.252 8.543 8.290 0.002 0.000 0.625 205 T N -0.770 113.783 114.554 -0.002 0.000 3.025 205 T HA -0.326 4.016 4.350 -0.014 0.000 0.270 205 T C 1.058 175.754 174.700 -0.007 0.000 1.126 205 T CA 1.283 63.379 62.100 -0.007 0.000 1.105 205 T CB 0.002 68.870 68.868 -0.001 0.000 0.884 205 T HN -0.526 7.618 8.240 0.004 0.098 0.522 206 G N 2.005 110.803 108.800 -0.003 0.000 4.026 206 G HA2 -0.389 3.570 3.960 -0.002 0.000 0.309 206 G HA3 -0.389 3.568 3.960 -0.006 0.000 0.309 206 G C 0.027 174.927 174.900 -0.000 0.000 1.411 206 G CA 1.261 46.359 45.100 -0.003 0.000 1.037 206 G HN -0.038 8.190 8.290 -0.002 0.062 0.687 207 S N 2.645 118.345 115.700 -0.001 0.000 2.843 207 S HA 0.370 4.842 4.470 0.004 0.000 0.249 207 S C 0.417 175.019 174.600 0.003 0.000 1.047 207 S CA -0.670 57.531 58.200 0.002 0.000 1.042 207 S CB 1.089 64.290 63.200 0.002 0.000 0.936 207 S HN -0.158 8.150 8.310 -0.003 0.000 0.531 208 V N 2.994 122.909 119.914 0.002 0.000 2.392 208 V HA -0.393 3.729 4.120 0.003 0.000 0.249 208 V C 1.424 177.523 176.094 0.008 0.000 1.059 208 V CA 3.915 66.217 62.300 0.003 0.000 1.051 208 V CB -0.405 31.418 31.823 -0.000 0.000 0.658 208 V HN -0.709 7.481 8.190 0.000 0.000 0.455 209 T N -4.021 110.539 114.554 0.010 0.000 2.849 209 T HA -0.358 4.001 4.350 0.014 0.000 0.270 209 T C 0.732 175.439 174.700 0.012 0.000 1.066 209 T CA 3.211 65.319 62.100 0.013 0.000 1.130 209 T CB -0.706 68.170 68.868 0.014 0.000 0.864 209 T HN 0.491 8.725 8.240 0.009 0.012 0.481 210 S N -1.457 114.249 115.700 0.010 0.000 2.575 210 S HA 0.069 4.545 4.470 0.010 0.000 0.215 210 S C 0.783 175.390 174.600 0.011 0.000 0.966 210 S CA 0.890 59.096 58.200 0.010 0.000 0.911 210 S CB 0.617 63.822 63.200 0.008 0.000 0.780 210 S HN -0.384 7.777 8.310 0.009 0.154 0.514 211 Q N -1.177 118.630 119.800 0.012 0.000 2.157 211 Q HA 0.137 4.486 4.340 0.014 0.000 0.235 211 Q C -0.467 175.544 176.000 0.018 0.000 0.803 211 Q CA 0.225 56.036 55.803 0.014 0.000 0.967 211 Q CB 2.771 31.517 28.738 0.012 0.000 1.150 211 Q HN 0.038 8.103 8.270 0.011 0.211 0.482 212 V N -0.918 119.007 119.914 0.018 0.000 2.919 212 V HA 0.002 4.138 4.120 0.028 0.000 0.316 212 V C -1.702 174.405 176.094 0.022 0.000 1.077 212 V CA -1.597 60.716 62.300 0.023 0.000 0.977 212 V CB 2.318 34.153 31.823 0.021 0.000 1.039 212 V HN -0.488 7.712 8.190 0.016 0.000 0.441 213 K N 1.250 121.665 120.400 0.025 0.000 2.395 213 K HA 0.375 4.707 4.320 0.020 0.000 0.247 213 K C -1.362 175.252 176.600 0.024 0.000 0.973 213 K CA -2.818 53.483 56.287 0.023 0.000 0.828 213 K CB 2.850 35.364 32.500 0.024 0.000 1.272 213 K HN 0.173 8.441 8.250 0.030 0.000 0.439 214 N N 1.572 120.285 118.700 0.021 0.000 2.345 214 N HA -0.436 4.497 4.740 0.018 -0.183 0.243 214 N C 0.465 175.991 175.510 0.027 0.000 1.246 214 N CA 1.339 54.402 53.050 0.021 0.000 0.863 214 N CB -0.158 38.341 38.487 0.019 0.000 1.096 214 N HN 0.042 8.434 8.380 0.020 0.000 0.446 215 D N -1.738 118.678 120.400 0.027 0.000 2.876 215 D HA -0.521 4.142 4.640 0.038 0.000 0.196 215 D C -0.911 175.426 176.300 0.062 0.000 1.014 215 D CA 1.706 55.731 54.000 0.041 0.000 1.012 215 D CB -0.041 40.783 40.800 0.041 0.000 1.080 215 D HN 1.050 9.320 8.370 0.019 0.112 0.438 216 D N -1.227 119.206 120.400 0.055 0.000 2.399 216 D HA -0.095 4.605 4.640 0.101 0.000 0.241 216 D C -1.337 175.027 176.300 0.107 0.000 1.133 216 D CA -0.009 54.041 54.000 0.083 0.000 0.890 216 D CB 1.263 42.100 40.800 0.063 0.000 1.201 216 D HN -0.715 7.603 8.370 0.039 0.076 0.432 217 Y N 3.966 124.291 120.300 0.042 0.000 2.365 217 Y HA -0.021 4.562 4.550 0.055 0.000 0.340 217 Y C -1.760 174.184 175.900 0.073 0.000 1.016 217 Y CA 1.115 59.249 58.100 0.056 0.000 1.196 217 Y CB 0.856 39.348 38.460 0.053 0.000 1.167 217 Y HN 0.226 8.660 8.280 0.257 0.000 0.509 218 L N 6.138 127.210 121.223 -0.251 0.000 2.370 218 L HA 0.786 5.382 4.340 0.099 -0.196 0.266 218 L C -1.319 175.481 176.870 -0.118 0.000 1.002 218 L CA -1.967 52.835 54.840 -0.063 0.000 0.818 218 L CB 4.262 46.285 42.059 -0.060 0.000 1.325 218 L HN -0.163 7.755 8.230 -0.521 0.000 0.418 219 I N -0.274 120.347 120.570 0.084 0.000 2.406 219 I HA 0.305 4.471 4.170 -0.007 0.000 0.290 219 I C -1.573 174.553 176.117 0.015 0.000 0.999 219 I CA -1.085 60.272 61.300 0.095 0.000 1.124 219 I CB 2.664 40.856 38.000 0.319 0.000 1.289 219 I HN -0.282 8.028 8.210 0.166 0.000 0.441 220 L N 6.867 128.011 121.223 -0.132 0.000 2.257 220 L HA 0.346 4.646 4.340 -0.067 0.000 0.290 220 L C -1.531 175.267 176.870 -0.119 0.000 1.044 220 L CA -0.760 54.010 54.840 -0.116 0.000 0.810 220 L CB 1.973 43.940 42.059 -0.154 0.000 1.193 220 L HN 0.138 8.214 8.230 -0.257 0.000 0.425 221 D N 9.509 129.887 120.400 -0.037 0.000 2.271 221 D HA -0.092 4.536 4.640 -0.020 0.000 0.206 221 D C 0.575 176.855 176.300 -0.032 0.000 0.967 221 D CA 0.076 54.073 54.000 -0.006 0.000 0.867 221 D CB 0.353 41.199 40.800 0.076 0.000 0.960 221 D HN -0.177 8.178 8.370 -0.026 0.000 0.509 222 A N -3.610 119.186 122.820 -0.041 0.000 2.711 222 A HA -0.382 3.921 4.320 -0.029 0.000 0.304 222 A C -0.994 176.580 177.584 -0.017 0.000 1.495 222 A CA 1.687 53.704 52.037 -0.033 0.000 0.971 222 A CB -1.088 17.884 19.000 -0.047 0.000 0.935 222 A HN 0.522 8.644 8.150 -0.047 0.000 0.526 223 V N -3.284 116.627 119.914 -0.005 0.000 3.001 223 V HA -0.198 3.924 4.120 0.003 0.000 0.228 223 V C 0.102 176.201 176.094 0.009 0.000 1.204 223 V CA 1.991 64.295 62.300 0.007 0.000 1.247 223 V CB 0.478 32.313 31.823 0.020 0.000 1.093 223 V HN -0.121 7.990 8.190 -0.003 0.077 0.504 224 N N -1.442 117.266 118.700 0.014 0.000 2.268 224 N HA -0.013 4.732 4.740 0.008 0.000 0.204 224 N C -0.511 174.992 175.510 -0.012 0.000 1.124 224 N CA -0.557 52.498 53.050 0.009 0.000 0.838 224 N CB -0.410 38.093 38.487 0.027 0.000 0.994 224 N HN -0.062 8.332 8.380 0.024 0.000 0.489 225 N N -1.113 117.575 118.700 -0.020 0.000 2.746 225 N HA -0.417 4.302 4.740 -0.035 0.000 0.250 225 N C -2.241 173.228 175.510 -0.067 0.000 1.055 225 N CA 0.785 53.813 53.050 -0.036 0.000 0.699 225 N CB -0.602 37.869 38.487 -0.027 0.000 0.919 225 N HN 0.037 8.324 8.380 -0.013 0.085 0.548 226 Q N -3.080 116.661 119.800 -0.099 0.000 2.340 226 Q HA 0.755 5.188 4.340 -0.180 -0.201 0.276 226 Q C -2.448 173.393 176.000 -0.265 0.000 1.048 226 Q CA -1.141 54.538 55.803 -0.206 0.000 0.832 226 Q CB 4.730 33.300 28.738 -0.280 0.000 1.373 226 Q HN -0.693 7.592 8.270 -0.073 -0.058 0.409 227 V N 4.058 123.793 119.914 -0.298 0.000 2.555 227 V HA 0.483 4.684 4.120 -0.128 -0.157 0.302 227 V C -0.758 175.139 176.094 -0.328 0.000 1.038 227 V CA -1.787 60.385 62.300 -0.213 0.000 0.887 227 V CB 1.991 33.755 31.823 -0.099 0.000 0.991 227 V HN 0.267 8.290 8.190 -0.277 0.000 0.434 228 Y N 6.046 126.368 120.300 0.037 0.000 2.330 228 Y HA 0.084 4.664 4.550 0.050 0.000 0.336 228 Y C -1.008 174.937 175.900 0.076 0.000 1.036 228 Y CA -0.601 57.536 58.100 0.062 0.000 1.125 228 Y CB 1.885 40.398 38.460 0.089 0.000 1.194 228 Y HN -0.214 8.173 8.280 0.177 0.000 0.469 229 V N 2.144 122.181 119.914 0.205 0.000 2.459 229 V HA 0.127 4.341 4.120 0.157 0.000 0.295 229 V C -0.246 175.948 176.094 0.167 0.000 1.029 229 V CA -1.286 61.106 62.300 0.154 0.000 0.874 229 V CB 1.111 32.987 31.823 0.089 0.000 0.985 229 V HN 0.194 8.500 8.190 0.194 0.000 0.438 230 N N 4.000 122.806 118.700 0.177 0.000 2.725 230 N HA -0.268 4.555 4.740 0.138 0.000 0.251 230 N C -1.911 173.663 175.510 0.108 0.000 1.031 230 N CA 0.250 53.379 53.050 0.133 0.000 0.720 230 N CB 0.025 38.566 38.487 0.089 0.000 0.930 230 N HN -0.137 8.364 8.380 0.203 0.000 0.543 231 P HA 0.112 4.572 4.420 0.067 0.000 0.271 231 P C -1.413 175.872 177.300 -0.026 0.000 1.218 231 P CA -0.059 63.079 63.100 0.063 0.000 0.780 231 P CB 0.867 32.621 31.700 0.089 0.000 0.901 232 T N 2.071 116.600 114.554 -0.043 0.000 2.868 232 T HA -0.083 4.227 4.350 -0.066 0.000 0.292 232 T C 1.063 175.703 174.700 -0.099 0.000 1.028 232 T CA -0.368 61.693 62.100 -0.065 0.000 1.059 232 T CB 1.075 69.915 68.868 -0.047 0.000 0.991 232 T HN -0.165 8.054 8.240 -0.036 0.000 0.531 233 N N 2.505 121.140 118.700 -0.107 0.000 2.104 233 N HA -0.361 4.283 4.740 -0.159 0.000 0.190 233 N C 1.850 177.301 175.510 -0.098 0.000 1.024 233 N CA 3.510 56.487 53.050 -0.121 0.000 0.853 233 N CB -0.067 38.357 38.487 -0.105 0.000 1.008 233 N HN 0.465 8.788 8.380 -0.094 0.000 0.424 234 E N -2.346 117.808 120.200 -0.077 0.000 2.110 234 E HA -0.306 4.007 4.350 -0.062 0.000 0.193 234 E C 2.307 178.863 176.600 -0.074 0.000 0.988 234 E CA 2.953 59.313 56.400 -0.066 0.000 0.804 234 E CB -0.374 29.295 29.700 -0.051 0.000 0.745 234 E HN 0.447 8.755 8.360 -0.071 0.009 0.458 235 V N 0.022 119.883 119.914 -0.088 0.000 2.453 235 V HA -0.351 3.703 4.120 -0.111 0.000 0.247 235 V C 1.566 177.594 176.094 -0.110 0.000 1.048 235 V CA 3.254 65.482 62.300 -0.119 0.000 1.049 235 V CB -0.313 31.411 31.823 -0.164 0.000 0.672 235 V HN -0.782 7.259 8.190 -0.085 0.099 0.457 236 I N 0.291 120.804 120.570 -0.094 0.000 2.208 236 I HA -0.638 3.531 4.170 -0.001 0.000 0.245 236 I C 1.429 177.496 176.117 -0.083 0.000 1.097 236 I CA 4.662 65.921 61.300 -0.068 0.000 1.363 236 I CB -0.577 37.352 38.000 -0.119 0.000 1.051 236 I HN -0.218 7.851 8.210 -0.103 0.079 0.413 237 D N -0.632 119.714 120.400 -0.090 0.000 2.123 237 D HA -0.374 4.206 4.640 -0.099 0.000 0.196 237 D C 2.078 178.349 176.300 -0.049 0.000 0.992 237 D CA 3.777 57.730 54.000 -0.079 0.000 0.833 237 D CB -0.141 40.618 40.800 -0.068 0.000 0.954 237 D HN -0.417 7.898 8.370 -0.092 0.000 0.455 238 K N -0.723 119.651 120.400 -0.042 0.000 2.026 238 K HA -0.292 4.018 4.320 -0.017 0.000 0.208 238 K C 2.621 179.227 176.600 0.010 0.000 1.048 238 K CA 3.071 59.344 56.287 -0.022 0.000 0.929 238 K CB -0.035 32.441 32.500 -0.039 0.000 0.713 238 K HN -0.857 7.271 8.250 -0.057 0.088 0.439 239 M N -1.592 118.025 119.600 0.030 0.000 2.200 239 M HA -0.312 4.231 4.480 0.105 0.000 0.265 239 M C 2.242 178.664 176.300 0.204 0.000 1.066 239 M CA 3.671 59.049 55.300 0.130 0.000 1.127 239 M CB -0.026 32.697 32.600 0.205 0.000 1.379 239 M HN -0.555 7.733 8.290 -0.003 0.000 0.420 240 R N -1.934 118.621 120.500 0.091 0.000 2.105 240 R HA -0.315 4.078 4.340 0.089 0.000 0.239 240 R C 2.244 178.576 176.300 0.054 0.000 1.135 240 R CA 2.813 58.914 56.100 0.002 0.000 0.967 240 R CB -0.623 29.557 30.300 -0.201 0.000 0.861 240 R HN 0.153 8.433 8.270 0.016 0.000 0.442 241 A N -1.062 121.776 122.820 0.030 0.000 1.898 241 A HA -0.159 4.172 4.320 0.019 0.000 0.216 241 A C 1.795 179.410 177.584 0.052 0.000 1.181 241 A CA 2.831 54.885 52.037 0.028 0.000 0.620 241 A CB -0.565 18.442 19.000 0.011 0.000 0.819 241 A HN -0.522 7.627 8.150 0.015 0.009 0.442 242 V N 0.471 120.424 119.914 0.066 0.000 2.255 242 V HA -0.511 3.777 4.120 0.047 -0.140 0.247 242 V C 1.973 178.112 176.094 0.076 0.000 1.051 242 V CA 4.539 66.877 62.300 0.065 0.000 1.018 242 V CB -0.446 31.418 31.823 0.068 0.000 0.641 242 V HN -0.668 7.563 8.190 0.067 0.000 0.445 243 Q N -0.939 118.930 119.800 0.115 0.000 2.050 243 Q HA -0.413 3.970 4.340 0.071 0.000 0.202 243 Q C 2.379 178.433 176.000 0.090 0.000 0.980 243 Q CA 3.458 59.324 55.803 0.106 0.000 0.840 243 Q CB -0.125 28.711 28.738 0.163 0.000 0.898 243 Q HN -0.604 7.761 8.270 0.158 0.000 0.424 244 E N -0.737 119.523 120.200 0.099 0.000 2.110 244 E HA -0.394 3.996 4.350 0.067 0.000 0.193 244 E C 2.598 179.225 176.600 0.043 0.000 0.988 244 E CA 2.871 59.310 56.400 0.065 0.000 0.804 244 E CB -0.241 29.489 29.700 0.051 0.000 0.745 244 E HN -0.630 7.805 8.360 0.124 0.000 0.458 245 Q N -2.001 117.823 119.800 0.040 0.000 2.226 245 Q HA -0.289 4.064 4.340 0.023 0.000 0.204 245 Q C 2.515 178.531 176.000 0.027 0.000 0.975 245 Q CA 2.830 58.650 55.803 0.028 0.000 0.866 245 Q CB -0.128 28.626 28.738 0.026 0.000 0.915 245 Q HN 0.547 8.731 8.270 0.047 0.114 0.440 246 V N -0.273 119.660 119.914 0.032 0.000 2.358 246 V HA -0.419 3.715 4.120 0.023 0.000 0.246 246 V C 1.452 177.560 176.094 0.024 0.000 1.047 246 V CA 3.993 66.310 62.300 0.027 0.000 1.035 246 V CB -0.571 31.269 31.823 0.029 0.000 0.658 246 V HN -0.529 7.549 8.190 0.040 0.136 0.452 247 A N -1.942 120.895 122.820 0.028 0.000 1.908 247 A HA -0.317 4.016 4.320 0.022 0.000 0.218 247 A C 2.267 179.863 177.584 0.019 0.000 1.181 247 A CA 3.121 55.172 52.037 0.024 0.000 0.627 247 A CB -1.114 17.903 19.000 0.028 0.000 0.818 247 A HN -0.615 7.555 8.150 0.034 0.000 0.445 248 S N -1.946 113.765 115.700 0.019 0.000 2.383 248 S HA -0.325 4.153 4.470 0.013 0.000 0.227 248 S C 1.861 176.469 174.600 0.013 0.000 1.026 248 S CA 2.800 61.009 58.200 0.014 0.000 0.981 248 S CB -0.201 63.007 63.200 0.013 0.000 0.818 248 S HN -0.644 7.673 8.310 0.022 0.006 0.472 249 E N 2.466 122.674 120.200 0.014 0.000 2.153 249 E HA -0.280 4.268 4.350 0.011 -0.192 0.194 249 E C 1.875 178.482 176.600 0.011 0.000 0.988 249 E CA 2.696 59.103 56.400 0.012 0.000 0.811 249 E CB -0.122 29.587 29.700 0.014 0.000 0.746 249 E HN -0.493 7.792 8.360 0.016 0.085 0.466 250 K N -1.283 119.125 120.400 0.012 0.000 2.057 250 K HA -0.283 4.044 4.320 0.010 0.000 0.207 250 K C 1.903 178.509 176.600 0.010 0.000 1.049 250 K CA 3.174 59.468 56.287 0.011 0.000 0.931 250 K CB -0.141 32.366 32.500 0.012 0.000 0.714 250 K HN -0.552 7.689 8.250 0.014 0.017 0.440 251 A N -2.163 120.662 122.820 0.010 0.000 1.930 251 A HA -0.151 4.174 4.320 0.008 0.000 0.217 251 A C 2.771 180.359 177.584 0.007 0.000 1.175 251 A CA 2.628 54.669 52.037 0.008 0.000 0.627 251 A CB -0.827 18.178 19.000 0.008 0.000 0.815 251 A HN -0.550 7.606 8.150 0.011 0.000 0.443 252 E N -0.926 119.278 120.200 0.008 0.000 2.150 252 E HA -0.299 4.055 4.350 0.006 0.000 0.193 252 E C 2.637 179.241 176.600 0.006 0.000 0.985 252 E CA 2.188 58.593 56.400 0.007 0.000 0.814 252 E CB -0.182 29.522 29.700 0.007 0.000 0.752 252 E HN -0.617 7.748 8.360 0.008 0.000 0.466 253 L N -0.952 120.275 121.223 0.007 0.000 2.131 253 L HA -0.259 4.085 4.340 0.006 0.000 0.210 253 L C 1.401 178.274 176.870 0.006 0.000 1.092 253 L CA 2.748 57.592 54.840 0.007 0.000 0.759 253 L CB -0.256 41.808 42.059 0.007 0.000 0.903 253 L HN -0.332 7.789 8.230 0.008 0.114 0.435 254 A N -2.284 120.539 122.820 0.006 0.000 1.972 254 A HA -0.248 4.075 4.320 0.005 0.000 0.219 254 A C 1.878 179.464 177.584 0.005 0.000 1.169 254 A CA 2.812 54.852 52.037 0.005 0.000 0.635 254 A CB -0.701 18.302 19.000 0.005 0.000 0.810 254 A HN -0.471 7.664 8.150 0.006 0.019 0.446 255 K N -3.667 116.736 120.400 0.005 0.000 2.418 255 K HA -0.059 4.263 4.320 0.004 0.000 0.195 255 K C 1.070 177.672 176.600 0.004 0.000 1.035 255 K CA 1.259 57.548 56.287 0.004 0.000 1.003 255 K CB -0.025 32.477 32.500 0.004 0.000 0.793 255 K HN -0.556 7.576 8.250 0.005 0.121 0.494 256 L N -2.378 118.847 121.223 0.004 0.000 2.591 256 L HA -0.044 4.298 4.340 0.004 0.000 0.228 256 L C 0.675 177.547 176.870 0.004 0.000 1.133 256 L CA 0.569 55.412 54.840 0.004 0.000 0.880 256 L CB -0.426 41.636 42.059 0.005 0.000 1.033 256 L HN -0.615 7.448 8.230 0.005 0.170 0.450 257 K N -1.629 118.773 120.400 0.004 0.000 2.400 257 K HA -0.094 4.229 4.320 0.004 0.000 0.194 257 K C 0.439 177.041 176.600 0.003 0.000 1.033 257 K CA 1.685 57.974 56.287 0.004 0.000 1.021 257 K CB -0.055 32.447 32.500 0.004 0.000 0.808 257 K HN -0.503 7.683 8.250 0.004 0.067 0.505 258 D N -2.131 118.271 120.400 0.003 0.000 2.360 258 D HA 0.057 4.699 4.640 0.003 0.000 0.210 258 D C -0.117 176.184 176.300 0.003 0.000 1.047 258 D CA 0.506 54.508 54.000 0.003 0.000 0.854 258 D CB 0.507 41.309 40.800 0.003 0.000 0.936 258 D HN -0.158 8.166 8.370 0.003 0.048 0.514 259 R N 0.000 120.502 120.500 0.003 0.000 2.786 259 R HA 0.000 4.341 4.340 0.002 0.000 0.208 259 R CA 0.000 56.102 56.100 0.003 0.000 0.921 259 R CB 0.000 30.302 30.300 0.003 0.000 0.687 259 R HN 0.000 8.226 8.270 0.003 0.045 0.535