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 2nef_1_A DATA FIRST_RESID 56 DATA SEQUENCE AWLEAQEEEE VGFPVTPQVP LRPMTYKAAV DLSHFLKEKG GLEGLIHSQR DATA SEQUENCE RQDILDLWIY HTQGYFPDWQ NYTPGPGIRY PLTFGWCYKL VPVEPEKLEE DATA SEQUENCE ANKXXXXXXX XXXXXXXXDD PEREVLEWRF DSRLAFHHMA RELHPEYFKN DATA SEQUENCE A 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 56 A HA 0.000 4.312 4.320 -0.013 0.000 0.244 56 A C 0.000 177.533 177.584 -0.086 0.000 1.274 56 A CA 0.000 51.985 52.037 -0.087 0.000 0.836 56 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 57 W N -2.496 118.750 121.300 -0.090 0.000 2.519 57 W HA -0.158 4.462 4.660 -0.067 0.000 0.266 57 W C 0.915 177.382 176.519 -0.086 0.000 1.253 57 W CA 0.678 57.968 57.345 -0.093 0.000 1.274 57 W CB -0.071 29.304 29.460 -0.142 0.000 1.114 57 W HN 0.339 8.615 8.180 0.160 0.000 0.596 58 L N -5.741 114.954 121.223 -0.879 0.000 2.270 58 L HA 0.117 4.154 4.340 -0.504 0.000 0.210 58 L C 0.639 177.309 176.870 -0.334 0.000 1.104 58 L CA 0.023 54.439 54.840 -0.707 0.000 0.804 58 L CB -0.531 40.927 42.059 -1.001 0.000 0.937 58 L HN -0.775 6.646 8.230 -1.292 0.033 0.450 59 E N 1.865 121.897 120.200 -0.279 0.000 2.222 59 E HA -0.073 4.188 4.350 -0.148 0.000 0.312 59 E C -1.093 175.453 176.600 -0.091 0.000 1.263 59 E CA -1.117 55.190 56.400 -0.156 0.000 1.356 59 E CB -1.405 28.216 29.700 -0.132 0.000 1.180 59 E HN 0.243 8.271 8.360 -0.339 0.129 0.494 60 A N 3.785 126.561 122.820 -0.074 0.000 2.545 60 A HA -0.020 4.288 4.320 -0.019 0.000 0.297 60 A C -0.200 177.367 177.584 -0.027 0.000 1.340 60 A CA 0.193 52.211 52.037 -0.032 0.000 1.016 60 A CB -0.137 18.854 19.000 -0.014 0.000 1.122 60 A HN 0.135 8.173 8.150 -0.094 0.055 0.537 61 Q N 3.685 123.472 119.800 -0.021 0.000 1.948 61 Q HA -0.282 4.044 4.340 -0.023 0.000 0.205 61 Q C 0.275 176.269 176.000 -0.010 0.000 0.992 61 Q CA 2.645 58.438 55.803 -0.017 0.000 0.849 61 Q CB 0.475 29.206 28.738 -0.012 0.000 0.918 61 Q HN 0.496 8.755 8.270 -0.019 0.000 0.421 62 E N -3.504 116.694 120.200 -0.003 0.000 3.730 62 E HA 0.055 4.405 4.350 0.000 0.000 0.233 62 E C -0.802 175.803 176.600 0.009 0.000 1.281 62 E CA -0.187 56.214 56.400 0.002 0.000 1.519 62 E CB 0.762 30.464 29.700 0.003 0.000 2.292 62 E HN -0.025 8.334 8.360 -0.001 0.000 0.655 63 E N 2.505 122.712 120.200 0.012 0.000 1.814 63 E HA -0.027 4.335 4.350 0.020 0.000 0.264 63 E C -0.244 176.366 176.600 0.017 0.000 1.179 63 E CA -0.432 55.979 56.400 0.018 0.000 0.972 63 E CB -0.112 29.603 29.700 0.024 0.000 1.077 63 E HN 0.023 8.390 8.360 0.012 0.000 0.417 64 E N 5.225 125.435 120.200 0.017 0.000 2.485 64 E HA -0.223 4.136 4.350 0.015 0.000 0.266 64 E C -0.387 176.214 176.600 0.002 0.000 1.090 64 E CA 1.043 57.453 56.400 0.016 0.000 0.987 64 E CB 0.677 30.394 29.700 0.029 0.000 0.974 64 E HN -0.007 8.364 8.360 0.019 0.000 0.455 65 E N 3.488 123.679 120.200 -0.015 0.000 2.642 65 E HA 0.187 4.480 4.350 -0.096 0.000 0.284 65 E C -0.850 175.675 176.600 -0.125 0.000 1.039 65 E CA -0.461 55.893 56.400 -0.077 0.000 0.777 65 E CB 0.490 30.159 29.700 -0.052 0.000 1.473 65 E HN 0.197 8.558 8.360 0.001 0.000 0.388 66 V N 5.873 125.689 119.914 -0.162 0.000 3.413 66 V HA -0.047 4.046 4.120 -0.045 0.000 0.344 66 V C 0.110 176.009 176.094 -0.325 0.000 1.225 66 V CA -0.232 61.986 62.300 -0.137 0.000 1.324 66 V CB -0.658 31.133 31.823 -0.054 0.000 1.161 66 V HN 0.261 8.359 8.190 -0.154 0.000 0.432 67 G N 0.010 108.498 108.800 -0.520 0.000 2.627 67 G HA2 -0.253 3.198 3.960 -0.849 0.000 0.312 67 G HA3 -0.253 3.517 3.960 -0.317 0.000 0.312 67 G C -1.345 172.675 174.900 -1.467 0.000 1.299 67 G CA 0.773 45.405 45.100 -0.780 0.000 0.989 67 G HN -0.410 7.498 8.290 -0.406 0.138 0.547 68 F N -1.198 118.772 119.950 0.033 0.000 2.438 68 F HA 0.257 4.793 4.527 0.014 0.000 0.381 68 F C -2.298 173.509 175.800 0.011 0.000 1.448 68 F CA -1.463 56.548 58.000 0.017 0.000 1.070 68 F CB 0.186 39.193 39.000 0.012 0.000 1.432 68 F HN -0.231 8.057 8.300 -0.021 0.000 0.504 69 P HA 0.046 4.513 4.420 0.079 0.000 0.270 69 P C -0.917 176.408 177.300 0.042 0.000 1.242 69 P CA -0.117 63.022 63.100 0.066 0.000 0.768 69 P CB 0.167 31.890 31.700 0.039 0.000 0.820 70 V N 1.559 121.496 119.914 0.038 0.000 2.352 70 V HA 0.179 4.307 4.120 0.013 0.000 0.253 70 V C -0.938 175.147 176.094 -0.014 0.000 1.083 70 V CA -0.332 61.976 62.300 0.014 0.000 0.993 70 V CB -1.482 30.351 31.823 0.016 0.000 1.111 70 V HN 0.192 8.410 8.190 0.046 0.000 0.490 71 T N 5.666 120.203 114.554 -0.028 0.000 3.009 71 T HA 0.503 4.812 4.350 -0.069 0.000 0.346 71 T C -2.326 172.347 174.700 -0.045 0.000 1.092 71 T CA -3.117 58.946 62.100 -0.061 0.000 1.080 71 T CB 1.092 69.902 68.868 -0.097 0.000 1.037 71 T HN -0.248 7.978 8.240 -0.023 0.000 0.487 72 P HA 0.353 4.819 4.420 0.077 0.000 0.336 72 P C -0.895 176.308 177.300 -0.161 0.000 1.288 72 P CA -1.494 61.588 63.100 -0.030 0.000 0.766 72 P CB 1.756 33.447 31.700 -0.015 0.000 1.461 73 Q N -0.054 119.629 119.800 -0.196 0.000 2.348 73 Q HA -0.222 3.786 4.340 -0.553 0.000 0.280 73 Q C 0.082 175.927 176.000 -0.258 0.000 1.239 73 Q CA 0.613 56.216 55.803 -0.333 0.000 0.967 73 Q CB -1.573 27.024 28.738 -0.235 0.000 1.307 73 Q HN 0.104 8.311 8.270 -0.105 0.000 0.441 74 V N 1.765 121.493 119.914 -0.311 0.000 2.953 74 V HA 0.328 4.329 4.120 -0.197 0.000 0.304 74 V C -1.189 174.742 176.094 -0.271 0.000 1.073 74 V CA -4.166 57.978 62.300 -0.260 0.000 1.064 74 V CB -1.241 30.410 31.823 -0.285 0.000 1.047 74 V HN -0.387 7.569 8.190 -0.391 0.000 0.478 75 P HA -0.188 4.146 4.420 -0.144 0.000 0.248 75 P C -1.154 175.989 177.300 -0.261 0.000 1.127 75 P CA 0.965 63.952 63.100 -0.188 0.000 0.801 75 P CB -0.503 31.104 31.700 -0.154 0.000 0.732 76 L N 3.650 124.739 121.223 -0.224 0.000 2.704 76 L HA -0.166 3.883 4.340 -0.485 0.000 0.279 76 L C 0.206 176.942 176.870 -0.222 0.000 1.147 76 L CA 0.479 55.152 54.840 -0.279 0.000 0.994 76 L CB -0.869 41.148 42.059 -0.071 0.000 1.332 76 L HN 0.054 8.190 8.230 -0.157 0.000 0.471 77 R N 5.029 125.308 120.500 -0.368 0.000 2.571 77 R HA 0.346 4.640 4.340 -0.076 0.000 0.259 77 R C -1.989 174.358 176.300 0.079 0.000 1.226 77 R CA -2.942 53.072 56.100 -0.143 0.000 1.157 77 R CB -0.750 29.458 30.300 -0.153 0.000 1.220 77 R HN -0.339 7.538 8.270 -0.657 0.000 0.605 78 P HA 0.105 4.673 4.420 0.246 0.000 0.297 78 P C -1.265 176.130 177.300 0.159 0.000 1.342 78 P CA -0.768 62.451 63.100 0.198 0.000 0.801 78 P CB 0.551 32.317 31.700 0.110 0.000 0.920 79 M N 5.606 125.236 119.600 0.050 0.000 2.522 79 M HA -0.114 3.775 4.480 -0.984 0.000 0.333 79 M C -0.942 175.218 176.300 -0.233 0.000 1.632 79 M CA -0.329 54.686 55.300 -0.475 0.000 1.293 79 M CB -0.189 32.086 32.600 -0.542 0.000 1.857 79 M HN 0.253 8.656 8.290 0.187 0.000 0.456 80 T N 4.429 118.842 114.554 -0.234 0.000 2.909 80 T HA 0.134 4.475 4.350 -0.015 0.000 0.289 80 T C 0.721 175.352 174.700 -0.115 0.000 1.005 80 T CA -1.488 60.552 62.100 -0.101 0.000 1.084 80 T CB 2.403 71.220 68.868 -0.084 0.000 0.975 80 T HN -0.276 7.779 8.240 -0.308 0.000 0.509 81 Y N 6.836 127.101 120.300 -0.058 0.000 2.151 81 Y HA -0.486 4.057 4.550 -0.011 0.000 0.284 81 Y C 1.330 177.221 175.900 -0.014 0.000 1.166 81 Y CA 3.550 61.648 58.100 -0.003 0.000 1.163 81 Y CB -0.331 38.169 38.460 0.067 0.000 0.974 81 Y HN 0.381 8.790 8.280 0.215 0.000 0.511 82 K N -1.354 118.525 120.400 -0.868 0.000 2.211 82 K HA -0.420 3.191 4.320 -1.182 0.000 0.204 82 K C 1.625 177.955 176.600 -0.449 0.000 1.047 82 K CA 2.704 58.499 56.287 -0.820 0.000 0.935 82 K CB -0.584 31.657 32.500 -0.432 0.000 0.728 82 K HN 0.231 8.255 8.250 -0.376 -0.000 0.452 83 A N -1.959 120.646 122.820 -0.359 0.000 1.933 83 A HA -0.189 3.956 4.320 -0.290 0.000 0.218 83 A C 1.737 179.108 177.584 -0.355 0.000 1.175 83 A CA 2.905 54.728 52.037 -0.357 0.000 0.628 83 A CB -1.098 17.612 19.000 -0.483 0.000 0.814 83 A HN 0.444 8.271 8.150 -0.319 0.132 0.444 84 A N -0.993 121.624 122.820 -0.339 0.000 1.877 84 A HA -0.348 3.768 4.320 -0.340 0.000 0.216 84 A C 1.684 179.299 177.584 0.053 0.000 1.186 84 A CA 2.908 54.842 52.037 -0.172 0.000 0.620 84 A CB -0.709 18.273 19.000 -0.030 0.000 0.822 84 A HN -0.482 7.353 8.150 -0.337 0.112 0.443 85 V N -0.981 118.873 119.914 -0.100 0.000 2.295 85 V HA -0.410 3.719 4.120 0.014 0.000 0.246 85 V C 2.157 178.135 176.094 -0.193 0.000 1.049 85 V CA 3.204 65.430 62.300 -0.124 0.000 1.024 85 V CB -1.165 30.504 31.823 -0.257 0.000 0.648 85 V HN -0.556 7.490 8.190 -0.240 0.000 0.447 86 D N 0.043 120.317 120.400 -0.210 0.000 2.117 86 D HA -0.264 4.251 4.640 -0.209 0.000 0.197 86 D C 2.589 178.936 176.300 0.078 0.000 0.987 86 D CA 3.632 57.551 54.000 -0.134 0.000 0.829 86 D CB -0.380 40.332 40.800 -0.146 0.000 0.961 86 D HN -0.005 8.216 8.370 -0.248 0.000 0.460 87 L N -0.446 120.827 121.223 0.082 0.000 2.046 87 L HA -0.300 4.204 4.340 0.273 0.000 0.208 87 L C 1.035 178.210 176.870 0.508 0.000 1.077 87 L CA 3.251 58.243 54.840 0.253 0.000 0.747 87 L CB -0.136 41.970 42.059 0.079 0.000 0.896 87 L HN 0.146 8.241 8.230 -0.037 0.113 0.432 88 S N -0.061 115.978 115.700 0.564 0.000 2.365 88 S HA -0.443 4.420 4.470 0.656 0.000 0.225 88 S C 2.369 177.389 174.600 0.700 0.000 1.039 88 S CA 3.620 62.174 58.200 0.590 0.000 1.033 88 S CB -0.290 63.056 63.200 0.244 0.000 0.887 88 S HN 0.574 8.965 8.310 0.446 0.186 0.447 89 H N 1.715 120.993 119.070 0.346 0.000 2.428 89 H HA -0.116 4.581 4.556 0.235 0.000 0.296 89 H C 1.944 177.405 175.328 0.222 0.000 1.062 89 H CA 1.789 57.995 56.048 0.263 0.000 1.350 89 H CB -0.526 29.358 29.762 0.203 0.000 1.403 89 H HN -0.422 8.366 8.280 0.847 0.000 0.533 90 F N 2.718 122.830 119.950 0.270 0.000 2.069 90 F HA -0.352 4.261 4.527 0.143 0.000 0.298 90 F C 1.475 177.371 175.800 0.160 0.000 1.113 90 F CA 3.851 61.957 58.000 0.177 0.000 1.214 90 F CB -0.016 39.079 39.000 0.159 0.000 0.978 90 F HN 0.208 8.657 8.300 0.561 0.187 0.474 91 L N -3.177 118.217 121.223 0.285 0.000 2.131 91 L HA -0.539 3.767 4.340 -0.057 0.000 0.210 91 L C 1.604 178.538 176.870 0.108 0.000 1.092 91 L CA 2.933 57.851 54.840 0.130 0.000 0.759 91 L CB -0.528 41.682 42.059 0.253 0.000 0.903 91 L HN 0.274 8.795 8.230 0.484 0.000 0.435 92 K N -0.368 120.087 120.400 0.091 0.000 2.002 92 K HA -0.347 3.930 4.320 -0.071 0.000 0.209 92 K C 2.331 178.862 176.600 -0.114 0.000 1.048 92 K CA 3.035 59.264 56.287 -0.097 0.000 0.930 92 K CB -0.073 32.196 32.500 -0.385 0.000 0.714 92 K HN -0.709 7.525 8.250 0.186 0.127 0.438 93 E N -3.757 116.372 120.200 -0.120 0.000 2.268 93 E HA -0.190 4.090 4.350 -0.116 0.000 0.195 93 E C 1.297 177.817 176.600 -0.135 0.000 0.995 93 E CA 1.685 58.008 56.400 -0.128 0.000 0.836 93 E CB 0.093 29.721 29.700 -0.120 0.000 0.763 93 E HN -0.434 7.874 8.360 -0.087 0.000 0.491 94 K N -1.177 119.125 120.400 -0.163 0.000 2.706 94 K HA -0.117 4.116 4.320 -0.145 0.000 0.217 94 K C -0.534 176.200 176.600 0.223 0.000 1.019 94 K CA -0.160 56.069 56.287 -0.097 0.000 1.181 94 K CB -0.353 31.972 32.500 -0.292 0.000 0.940 94 K HN -0.490 7.503 8.250 -0.183 0.148 0.491 95 G N -1.568 107.284 108.800 0.087 0.000 3.131 95 G HA2 -0.144 3.797 3.960 -0.032 0.000 0.198 95 G HA3 -0.144 3.824 3.960 0.013 0.000 0.198 95 G C -1.029 173.824 174.900 -0.078 0.000 1.435 95 G CA -0.403 44.704 45.100 0.012 0.000 1.016 95 G HN -0.482 7.655 8.290 -0.007 0.149 0.499 96 G N 0.214 108.990 108.800 -0.040 0.000 2.594 96 G HA2 -0.143 3.844 3.960 -0.089 0.000 0.422 96 G HA3 -0.143 3.742 3.960 -0.124 0.000 0.422 96 G C -0.438 174.414 174.900 -0.079 0.000 1.190 96 G CA -0.261 44.787 45.100 -0.087 0.000 1.234 96 G HN -0.594 7.757 8.290 0.102 0.000 0.584 97 L N -0.015 121.241 121.223 0.054 0.000 2.418 97 L HA 0.046 4.319 4.340 -0.112 0.000 0.218 97 L C -0.250 176.726 176.870 0.176 0.000 1.125 97 L CA 0.515 55.387 54.840 0.054 0.000 0.835 97 L CB 0.737 42.843 42.059 0.079 0.000 0.953 97 L HN 0.412 8.719 8.230 0.128 0.000 0.454 98 E N -1.310 119.015 120.200 0.209 0.000 2.459 98 E HA -0.372 4.397 4.350 0.450 -0.149 0.264 98 E C 1.096 177.795 176.600 0.165 0.000 1.055 98 E CA 1.562 58.113 56.400 0.251 0.000 0.957 98 E CB 0.099 29.854 29.700 0.091 0.000 0.952 98 E HN -0.485 7.909 8.360 0.128 0.042 0.448 99 G N 3.258 112.167 108.800 0.182 0.000 2.216 99 G HA2 -0.474 3.544 3.960 0.097 0.000 0.269 99 G HA3 -0.474 3.520 3.960 0.057 0.000 0.269 99 G C -0.870 174.095 174.900 0.108 0.000 0.981 99 G CA 0.916 46.079 45.100 0.106 0.000 0.658 99 G HN 0.201 8.629 8.290 0.229 0.000 0.539 100 L N 1.280 122.613 121.223 0.185 0.000 2.369 100 L HA 0.011 4.394 4.340 0.072 0.000 0.279 100 L C -0.362 176.625 176.870 0.195 0.000 1.108 100 L CA -0.095 54.849 54.840 0.174 0.000 0.852 100 L CB 0.511 42.700 42.059 0.216 0.000 1.169 100 L HN -0.594 7.682 8.230 0.255 0.107 0.452 101 I N 7.923 128.534 120.570 0.069 0.000 2.680 101 I HA -0.259 3.981 4.170 -0.039 -0.093 0.286 101 I C -0.906 175.184 176.117 -0.044 0.000 1.144 101 I CA -0.127 61.165 61.300 -0.013 0.000 1.370 101 I CB -1.772 36.203 38.000 -0.042 0.000 1.420 101 I HN 0.394 8.628 8.210 0.039 0.000 0.540 102 H N 9.574 128.456 119.070 -0.314 0.000 3.215 102 H HA -0.069 4.345 4.556 -0.237 0.000 0.253 102 H C -0.228 174.946 175.328 -0.258 0.000 1.102 102 H CA 0.520 56.272 56.048 -0.493 0.000 1.482 102 H CB 0.231 29.212 29.762 -1.302 0.000 1.542 102 H HN 0.619 8.673 8.280 -0.230 0.088 0.498 103 S N 8.432 123.832 115.700 -0.499 0.000 2.355 103 S HA -0.289 3.977 4.470 -0.340 0.000 0.210 103 S C 0.281 174.467 174.600 -0.689 0.000 1.035 103 S CA 3.694 61.630 58.200 -0.439 0.000 1.011 103 S CB 0.362 63.439 63.200 -0.205 0.000 1.000 103 S HN 0.159 8.325 8.310 -0.240 0.000 0.423 104 Q N -2.772 116.700 119.800 -0.547 0.000 2.015 104 Q HA 0.009 4.068 4.340 -0.468 0.000 0.167 104 Q C 0.076 176.058 176.000 -0.030 0.000 0.695 104 Q CA 1.097 56.701 55.803 -0.331 0.000 0.805 104 Q CB 0.252 28.893 28.738 -0.162 0.000 1.201 104 Q HN 0.214 8.280 8.270 -0.340 0.000 0.370 105 R N -1.106 119.390 120.500 -0.005 0.000 2.210 105 R HA 0.053 4.604 4.340 0.098 -0.152 0.203 105 R C 1.636 178.038 176.300 0.170 0.000 1.010 105 R CA 1.632 57.783 56.100 0.085 0.000 1.008 105 R CB -0.020 30.315 30.300 0.058 0.000 0.923 105 R HN 0.076 8.312 8.270 -0.057 0.000 0.469 106 R N -0.580 120.038 120.500 0.197 0.000 2.159 106 R HA -0.261 4.240 4.340 0.268 0.000 0.237 106 R C 2.096 178.693 176.300 0.496 0.000 1.131 106 R CA 2.733 59.040 56.100 0.345 0.000 0.982 106 R CB -1.489 29.066 30.300 0.425 0.000 0.868 106 R HN 0.255 8.582 8.270 0.095 0.000 0.453 107 Q N -1.274 118.858 119.800 0.553 0.000 2.050 107 Q HA -0.310 4.423 4.340 0.655 0.000 0.202 107 Q C 1.401 177.573 176.000 0.286 0.000 0.980 107 Q CA 3.413 59.509 55.803 0.487 0.000 0.840 107 Q CB -0.651 28.308 28.738 0.367 0.000 0.898 107 Q HN -0.092 8.439 8.270 0.498 0.037 0.424 108 D N -0.229 120.304 120.400 0.221 0.000 2.104 108 D HA -0.258 4.454 4.640 0.121 0.000 0.194 108 D C 2.527 178.934 176.300 0.178 0.000 0.994 108 D CA 3.601 57.693 54.000 0.154 0.000 0.830 108 D CB -0.239 40.634 40.800 0.122 0.000 0.959 108 D HN -0.685 7.820 8.370 0.226 0.000 0.452 109 I N -0.596 120.098 120.570 0.208 0.000 2.194 109 I HA -0.549 3.762 4.170 0.235 0.000 0.246 109 I C 1.694 177.967 176.117 0.259 0.000 1.093 109 I CA 4.054 65.493 61.300 0.233 0.000 1.355 109 I CB -0.459 37.680 38.000 0.232 0.000 1.046 109 I HN -0.660 7.677 8.210 0.212 0.000 0.413 110 L N 0.327 121.682 121.223 0.219 0.000 1.948 110 L HA -0.460 3.982 4.340 0.170 0.000 0.212 110 L C 1.279 178.305 176.870 0.261 0.000 1.074 110 L CA 3.764 58.719 54.840 0.191 0.000 0.753 110 L CB -0.771 41.334 42.059 0.077 0.000 0.888 110 L HN -0.491 7.789 8.230 0.229 0.088 0.432 111 D N -0.971 119.536 120.400 0.180 0.000 2.116 111 D HA -0.348 4.401 4.640 0.182 0.000 0.193 111 D C 2.735 179.135 176.300 0.167 0.000 0.998 111 D CA 3.630 57.716 54.000 0.143 0.000 0.836 111 D CB -0.291 40.528 40.800 0.030 0.000 0.951 111 D HN -0.545 7.916 8.370 0.152 0.000 0.449 112 L N -0.241 121.073 121.223 0.152 0.000 2.017 112 L HA -0.312 4.025 4.340 -0.005 0.000 0.208 112 L C 1.163 178.149 176.870 0.194 0.000 1.073 112 L CA 3.379 58.289 54.840 0.117 0.000 0.745 112 L CB -0.094 42.059 42.059 0.158 0.000 0.894 112 L HN 0.286 8.494 8.230 0.157 0.116 0.432 113 W N -0.933 120.430 121.300 0.104 0.000 2.318 113 W HA -0.442 4.309 4.660 0.152 0.000 0.313 113 W C 1.575 178.132 176.519 0.063 0.000 1.221 113 W CA 3.951 61.349 57.345 0.087 0.000 1.266 113 W CB 0.006 29.464 29.460 -0.003 0.000 1.150 113 W HN 0.247 8.542 8.180 0.414 0.134 0.496 114 I N -3.911 116.771 120.570 0.188 0.000 2.335 114 I HA -0.442 3.560 4.170 -0.281 0.000 0.251 114 I C 2.110 178.145 176.117 -0.136 0.000 1.129 114 I CA 3.045 64.335 61.300 -0.017 0.000 1.402 114 I CB -1.057 37.098 38.000 0.258 0.000 1.069 114 I HN -0.096 8.361 8.210 0.411 -0.000 0.424 115 Y N 1.685 121.847 120.300 -0.230 0.000 2.084 115 Y HA -0.457 3.948 4.550 -0.243 0.000 0.279 115 Y C 2.524 178.175 175.900 -0.415 0.000 1.119 115 Y CA 3.813 61.708 58.100 -0.342 0.000 1.101 115 Y CB -0.051 38.132 38.460 -0.463 0.000 0.989 115 Y HN -0.214 7.968 8.280 0.100 0.157 0.484 116 H N -3.923 115.106 119.070 -0.069 0.000 2.567 116 H HA -0.059 4.432 4.556 -0.181 -0.043 0.281 116 H C 0.113 175.232 175.328 -0.348 0.000 1.055 116 H CA 1.739 57.677 56.048 -0.183 0.000 1.185 116 H CB -0.943 28.770 29.762 -0.081 0.000 1.325 116 H HN -0.413 7.534 8.280 -0.556 0.000 0.622 117 T N -2.909 111.388 114.554 -0.428 0.000 3.426 117 T HA 0.224 4.330 4.350 -0.407 0.000 0.195 117 T C 0.912 175.346 174.700 -0.443 0.000 0.963 117 T CA 0.691 62.471 62.100 -0.532 0.000 1.154 117 T CB 1.019 69.271 68.868 -1.027 0.000 1.377 117 T HN -0.603 7.123 8.240 -0.443 0.249 0.342 118 Q N -0.359 119.171 119.800 -0.451 0.000 2.389 118 Q HA 0.069 4.162 4.340 -0.412 0.000 0.204 118 Q C 1.395 177.050 176.000 -0.575 0.000 0.944 118 Q CA 0.721 56.268 55.803 -0.428 0.000 0.908 118 Q CB 1.083 29.684 28.738 -0.229 0.000 1.002 118 Q HN -0.351 7.621 8.270 -0.495 0.000 0.493 119 G N -2.307 106.184 108.800 -0.516 0.000 2.155 119 G HA2 -0.432 3.172 3.960 -0.811 0.000 0.257 119 G HA3 -0.432 3.149 3.960 -0.631 0.000 0.257 119 G C -0.548 174.020 174.900 -0.554 0.000 0.983 119 G CA 0.522 45.243 45.100 -0.632 0.000 0.676 119 G HN 0.045 8.024 8.290 -0.449 0.041 0.528 120 Y N -0.130 119.946 120.300 -0.372 0.000 2.442 120 Y HA -0.229 3.803 4.550 -0.864 0.000 0.330 120 Y C 0.330 176.086 175.900 -0.240 0.000 1.129 120 Y CA 0.523 58.319 58.100 -0.506 0.000 1.365 120 Y CB -0.121 38.111 38.460 -0.379 0.000 1.233 120 Y HN -0.961 7.089 8.280 -0.285 0.058 0.529 121 F N 2.421 122.588 119.950 0.362 0.000 2.459 121 F HA 0.196 4.932 4.527 0.348 0.000 0.346 121 F C -0.349 175.641 175.800 0.317 0.000 1.128 121 F CA -4.391 53.796 58.000 0.312 0.000 1.268 121 F CB -0.738 38.392 39.000 0.215 0.000 1.161 121 F HN -0.053 7.021 8.300 -2.043 0.000 0.583 122 P HA -0.004 4.226 4.420 -0.317 0.000 0.246 122 P C -1.443 175.775 177.300 -0.137 0.000 1.686 122 P CA -0.060 62.991 63.100 -0.083 0.000 0.867 122 P CB -1.855 29.753 31.700 -0.154 0.000 1.733 123 D N -2.093 118.441 120.400 0.224 0.000 2.324 123 D HA -0.044 4.600 4.640 0.008 0.000 0.235 123 D C -0.298 176.080 176.300 0.129 0.000 1.095 123 D CA 0.231 54.309 54.000 0.131 0.000 0.871 123 D CB -0.447 40.446 40.800 0.154 0.000 0.906 123 D HN 0.037 8.670 8.370 0.625 0.111 0.522 124 W N -5.349 115.950 121.300 -0.001 0.000 2.942 124 W HA 0.124 4.747 4.660 -0.063 0.000 0.260 124 W C -1.385 175.004 176.519 -0.217 0.000 1.101 124 W CA -0.979 56.306 57.345 -0.100 0.000 1.436 124 W CB 0.287 29.657 29.460 -0.149 0.000 0.883 124 W HN -0.652 7.127 8.180 -0.474 0.118 0.646 125 Q N 2.962 121.894 119.800 -1.446 0.000 2.307 125 Q HA -0.186 3.349 4.340 -1.341 0.000 0.261 125 Q C -1.414 174.141 176.000 -0.742 0.000 1.051 125 Q CA 0.934 55.892 55.803 -1.409 0.000 0.911 125 Q CB -0.607 27.137 28.738 -1.656 0.000 1.227 125 Q HN -0.182 6.914 8.270 -1.957 0.000 0.418 126 N N 3.595 121.797 118.700 -0.830 0.000 3.020 126 N HA 0.106 4.643 4.740 -0.338 0.000 0.248 126 N C -1.990 172.891 175.510 -1.048 0.000 1.480 126 N CA -0.343 52.345 53.050 -0.602 0.000 0.874 126 N CB 3.511 41.858 38.487 -0.234 0.000 1.433 126 N HN -0.186 7.623 8.380 -0.952 0.000 0.530 127 Y N -4.356 115.967 120.300 0.038 0.000 2.641 127 Y HA 0.217 5.057 4.550 0.132 -0.211 0.333 127 Y C -0.248 175.660 175.900 0.013 0.000 1.174 127 Y CA -0.956 57.186 58.100 0.071 0.000 1.057 127 Y CB 3.527 42.021 38.460 0.057 0.000 1.322 127 Y HN 0.249 8.540 8.280 0.018 0.000 0.457 128 T N 2.327 116.994 114.554 0.189 0.000 2.932 128 T HA 0.209 4.468 4.350 -0.152 0.000 0.312 128 T C -0.786 173.921 174.700 0.011 0.000 1.071 128 T CA -1.273 60.832 62.100 0.009 0.000 1.128 128 T CB -0.154 68.752 68.868 0.063 0.000 0.984 128 T HN 0.037 8.451 8.240 0.291 0.000 0.549 129 P HA -0.126 4.294 4.420 -0.001 0.000 0.302 129 P C 0.197 177.486 177.300 -0.018 0.000 1.301 129 P CA -0.141 62.941 63.100 -0.031 0.000 0.745 129 P CB 0.343 32.016 31.700 -0.046 0.000 1.331 130 G N -2.809 105.984 108.800 -0.011 0.000 2.778 130 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.686 130 G HA3 -0.218 3.740 3.960 -0.004 0.000 0.686 130 G C -2.129 172.775 174.900 0.006 0.000 1.309 130 G CA -0.700 44.399 45.100 -0.003 0.000 0.904 130 G HN 0.015 8.299 8.290 -0.009 0.000 0.593 131 P HA 0.092 4.506 4.420 -0.010 0.000 0.307 131 P C 0.198 177.500 177.300 0.004 0.000 1.306 131 P CA -0.446 62.653 63.100 -0.003 0.000 0.742 131 P CB 0.908 32.605 31.700 -0.005 0.000 1.349 132 G N -1.321 107.474 108.800 -0.007 0.000 2.539 132 G HA2 -0.313 3.639 3.960 -0.013 0.000 0.256 132 G HA3 -0.313 3.655 3.960 0.014 0.000 0.256 132 G C -0.045 174.850 174.900 -0.009 0.000 1.233 132 G CA -0.264 44.834 45.100 -0.003 0.000 0.936 132 G HN 0.152 8.433 8.290 -0.016 0.000 0.571 133 I N 2.228 122.808 120.570 0.016 0.000 3.613 133 I HA -0.352 3.782 4.170 -0.060 0.000 0.261 133 I C -0.170 175.958 176.117 0.017 0.000 1.336 133 I CA 1.330 62.631 61.300 0.002 0.000 1.258 133 I CB 0.453 38.505 38.000 0.086 0.000 1.378 133 I HN 0.139 8.371 8.210 0.035 0.000 0.658 134 R N 0.206 120.689 120.500 -0.027 0.000 2.983 134 R HA 0.233 4.676 4.340 0.172 0.000 0.290 134 R C -1.916 174.435 176.300 0.085 0.000 1.327 134 R CA -0.541 55.593 56.100 0.056 0.000 1.062 134 R CB 2.068 32.312 30.300 -0.094 0.000 1.307 134 R HN -0.241 7.934 8.270 -0.159 0.000 0.389 135 Y N 4.077 124.475 120.300 0.162 0.000 2.307 135 Y HA 0.235 4.891 4.550 0.175 0.000 0.324 135 Y C -1.887 174.201 175.900 0.314 0.000 1.238 135 Y CA -1.703 56.516 58.100 0.197 0.000 1.280 135 Y CB 0.823 39.368 38.460 0.142 0.000 1.248 135 Y HN -0.421 8.223 8.280 0.607 0.000 0.508 136 P HA 0.177 4.905 4.420 0.260 -0.153 0.282 136 P C -1.337 176.110 177.300 0.245 0.000 1.274 136 P CA -0.598 62.706 63.100 0.339 0.000 0.770 136 P CB 0.368 32.312 31.700 0.407 0.000 0.867 137 L N 3.326 124.641 121.223 0.154 0.000 1.994 137 L HA -0.171 4.453 4.340 0.473 0.000 0.208 137 L C 0.742 177.681 176.870 0.115 0.000 1.071 137 L CA 2.048 57.066 54.840 0.298 0.000 0.745 137 L CB 0.005 42.230 42.059 0.276 0.000 0.892 137 L HN -0.239 7.991 8.230 -0.000 0.000 0.431 138 T N -3.005 111.570 114.554 0.035 0.000 2.856 138 T HA -0.151 4.101 4.350 -0.162 0.000 0.306 138 T C -0.669 174.099 174.700 0.113 0.000 1.062 138 T CA -0.040 62.065 62.100 0.007 0.000 1.083 138 T CB 0.983 69.916 68.868 0.108 0.000 0.984 138 T HN -0.519 7.729 8.240 0.013 0.000 0.542 139 F N 2.258 122.192 119.950 -0.027 0.000 2.403 139 F HA -0.093 4.479 4.527 0.074 0.000 0.326 139 F C 0.529 176.463 175.800 0.224 0.000 1.081 139 F CA 0.912 58.947 58.000 0.058 0.000 1.041 139 F CB 2.341 41.311 39.000 -0.050 0.000 1.234 139 F HN -0.392 8.001 8.300 0.154 0.000 0.503 140 G N 1.506 110.077 108.800 -0.381 0.000 2.336 140 G HA2 -0.392 3.590 3.960 0.037 0.000 0.233 140 G HA3 -0.392 3.803 3.960 0.392 0.000 0.233 140 G C -0.848 174.092 174.900 0.066 0.000 1.053 140 G CA -0.028 45.118 45.100 0.077 0.000 0.625 140 G HN 0.385 7.646 8.290 -1.715 0.000 0.511 141 W N 3.301 124.553 121.300 -0.080 0.000 2.581 141 W HA -0.026 4.671 4.660 0.060 0.000 0.359 141 W C -0.844 175.641 176.519 -0.056 0.000 1.167 141 W CA -1.453 55.914 57.345 0.037 0.000 1.517 141 W CB -0.257 29.327 29.460 0.207 0.000 1.519 141 W HN -0.361 7.873 8.180 0.281 0.114 0.431 142 C N 7.407 126.429 119.300 -0.463 0.000 2.694 142 C HA 0.029 4.194 4.460 -0.492 0.000 0.455 142 C C -1.899 172.492 174.990 -0.997 0.000 1.293 142 C CA -3.036 55.565 59.018 -0.695 0.000 1.614 142 C CB -2.896 24.361 27.740 -0.804 0.000 2.015 142 C HN 0.359 8.360 8.230 -0.381 0.000 0.608 143 Y N 1.065 120.912 120.300 -0.754 0.000 2.350 143 Y HA 0.217 4.654 4.550 -0.409 -0.132 0.338 143 Y C -0.660 175.177 175.900 -0.105 0.000 0.961 143 Y CA -0.667 57.131 58.100 -0.503 0.000 1.100 143 Y CB 3.511 41.522 38.460 -0.749 0.000 1.179 143 Y HN -0.285 7.562 8.280 -0.549 0.103 0.454 144 K N 3.620 124.075 120.400 0.091 0.000 2.502 144 K HA 0.363 4.706 4.320 0.040 0.000 0.254 144 K C -1.051 175.524 176.600 -0.041 0.000 0.947 144 K CA -1.137 55.138 56.287 -0.020 0.000 0.834 144 K CB 2.572 34.946 32.500 -0.210 0.000 1.112 144 K HN 0.120 8.413 8.250 0.070 0.000 0.427 145 L N 6.434 127.597 121.223 -0.099 0.000 2.380 145 L HA 0.381 4.829 4.340 -0.209 -0.233 0.273 145 L C -1.119 175.626 176.870 -0.209 0.000 1.138 145 L CA -0.112 54.593 54.840 -0.225 0.000 0.832 145 L CB 0.887 42.705 42.059 -0.402 0.000 1.124 145 L HN -0.072 8.124 8.230 -0.057 0.000 0.454 146 V N 0.475 120.289 119.914 -0.166 0.000 2.852 146 V HA 0.228 4.270 4.120 -0.129 0.000 0.300 146 V C -2.496 173.542 176.094 -0.093 0.000 1.205 146 V CA -3.181 59.043 62.300 -0.127 0.000 0.940 146 V CB 3.423 35.179 31.823 -0.113 0.000 1.047 146 V HN -0.083 8.010 8.190 -0.161 0.000 0.429 147 P HA 0.293 4.784 4.420 -0.069 -0.113 0.274 147 P C -1.091 176.185 177.300 -0.041 0.000 1.470 147 P CA -0.846 62.218 63.100 -0.059 0.000 1.001 147 P CB -0.737 30.932 31.700 -0.051 0.000 1.332 148 V N 1.936 121.827 119.914 -0.038 0.000 3.623 148 V HA -0.053 4.054 4.120 -0.022 0.000 0.271 148 V C 0.421 176.501 176.094 -0.024 0.000 1.248 148 V CA 0.588 62.872 62.300 -0.026 0.000 1.156 148 V CB -0.048 31.762 31.823 -0.021 0.000 0.870 148 V HN -0.060 8.104 8.190 -0.044 0.000 0.453 149 E N 0.774 120.956 120.200 -0.029 0.000 2.373 149 E HA 0.155 4.490 4.350 -0.025 0.000 0.263 149 E C -1.718 174.869 176.600 -0.022 0.000 1.073 149 E CA -1.817 54.567 56.400 -0.027 0.000 0.894 149 E CB 0.108 29.788 29.700 -0.034 0.000 1.008 149 E HN -0.273 7.973 8.360 -0.036 0.092 0.420 150 P HA 0.068 4.480 4.420 -0.013 0.000 0.276 150 P C -0.873 176.418 177.300 -0.016 0.000 1.230 150 P CA -0.410 62.681 63.100 -0.015 0.000 0.776 150 P CB 0.762 32.454 31.700 -0.013 0.000 0.888 151 E N 2.487 122.679 120.200 -0.013 0.000 1.954 151 E HA -0.191 4.150 4.350 -0.016 0.000 0.272 151 E C -0.441 176.152 176.600 -0.012 0.000 1.170 151 E CA -0.036 56.357 56.400 -0.013 0.000 1.101 151 E CB -2.124 27.571 29.700 -0.009 0.000 1.076 151 E HN 0.421 8.775 8.360 -0.011 0.000 0.449 152 K N 4.629 125.020 120.400 -0.015 0.000 2.502 152 K HA 0.049 4.362 4.320 -0.012 0.000 0.244 152 K C -0.392 176.199 176.600 -0.014 0.000 1.249 152 K CA -0.844 55.434 56.287 -0.014 0.000 1.193 152 K CB -1.387 31.104 32.500 -0.016 0.000 1.674 152 K HN 0.565 8.784 8.250 -0.018 0.020 0.302 153 L N 3.192 124.409 121.223 -0.012 0.000 2.922 153 L HA 0.006 4.339 4.340 -0.013 0.000 0.244 153 L C -0.912 175.952 176.870 -0.009 0.000 1.324 153 L CA -0.886 53.947 54.840 -0.011 0.000 1.172 153 L CB -1.497 40.556 42.059 -0.009 0.000 1.545 153 L HN -0.277 7.890 8.230 -0.010 0.057 0.438 154 E N 0.100 120.294 120.200 -0.010 0.000 1.944 154 E HA -0.122 4.224 4.350 -0.008 0.000 0.272 154 E C -0.592 176.003 176.600 -0.009 0.000 1.195 154 E CA -0.867 55.527 56.400 -0.009 0.000 0.926 154 E CB -0.470 29.225 29.700 -0.009 0.000 1.051 154 E HN -0.546 7.689 8.360 -0.011 0.118 0.404 155 E N 5.845 126.040 120.200 -0.008 0.000 2.220 155 E HA -0.151 4.193 4.350 -0.008 0.000 0.272 155 E C -1.272 175.324 176.600 -0.007 0.000 1.099 155 E CA 0.335 56.730 56.400 -0.008 0.000 0.907 155 E CB -0.332 29.364 29.700 -0.006 0.000 1.022 155 E HN -0.052 8.303 8.360 -0.007 0.000 0.428 156 A N 6.234 129.049 122.820 -0.007 0.000 1.889 156 A HA 0.051 4.367 4.320 -0.006 0.000 0.204 156 A C -0.779 176.801 177.584 -0.007 0.000 1.739 156 A CA 0.551 52.584 52.037 -0.007 0.000 1.589 156 A CB 0.824 19.820 19.000 -0.007 0.000 1.485 156 A HN 0.221 8.366 8.150 -0.008 0.000 0.472 157 N N 0.733 119.428 118.700 -0.008 0.000 2.438 157 N HA -0.141 4.594 4.740 -0.008 0.000 0.267 157 N C -0.237 175.267 175.510 -0.009 0.000 1.222 157 N CA 0.274 53.319 53.050 -0.009 0.000 0.930 157 N CB 0.079 38.560 38.487 -0.010 0.000 1.083 157 N HN 0.072 8.447 8.380 -0.009 0.000 0.476 175 D N 0.872 121.264 120.400 -0.014 0.000 2.313 175 D HA 0.183 4.814 4.640 -0.015 0.000 0.247 175 D C -0.924 175.365 176.300 -0.019 0.000 1.094 175 D CA -1.201 52.789 54.000 -0.016 0.000 0.925 175 D CB 0.411 41.199 40.800 -0.019 0.000 1.188 175 D HN 0.084 8.446 8.370 -0.014 0.000 0.430 176 P HA 0.061 4.470 4.420 -0.019 0.000 0.268 176 P C -0.533 176.751 177.300 -0.027 0.000 1.282 176 P CA -0.144 62.943 63.100 -0.022 0.000 0.880 176 P CB -0.162 31.524 31.700 -0.023 0.000 0.971 177 E N 4.397 124.582 120.200 -0.025 0.000 2.346 177 E HA -0.058 4.272 4.350 -0.033 0.000 0.317 177 E C -0.526 176.055 176.600 -0.031 0.000 1.404 177 E CA -0.834 55.549 56.400 -0.029 0.000 1.534 177 E CB -1.748 27.938 29.700 -0.024 0.000 1.309 177 E HN 0.107 8.454 8.360 -0.021 0.000 0.499 178 R N 1.269 121.748 120.500 -0.036 0.000 2.649 178 R HA -0.002 4.320 4.340 -0.030 0.000 0.270 178 R C -0.060 176.214 176.300 -0.043 0.000 1.105 178 R CA -0.899 55.179 56.100 -0.036 0.000 1.193 178 R CB 0.587 30.864 30.300 -0.038 0.000 1.120 178 R HN -0.335 7.849 8.270 -0.038 0.063 0.561 179 E N 0.541 120.716 120.200 -0.041 0.000 2.257 179 E HA -0.097 4.226 4.350 -0.045 0.000 0.278 179 E C -0.728 175.834 176.600 -0.063 0.000 1.049 179 E CA -0.078 56.294 56.400 -0.046 0.000 0.876 179 E CB -0.188 29.489 29.700 -0.038 0.000 1.035 179 E HN 0.167 8.506 8.360 -0.035 0.000 0.419 180 V N 3.156 123.025 119.914 -0.075 0.000 3.036 180 V HA -0.001 4.048 4.120 -0.118 0.000 0.308 180 V C -0.946 175.087 176.094 -0.102 0.000 1.070 180 V CA -1.178 61.059 62.300 -0.106 0.000 1.056 180 V CB 0.939 32.690 31.823 -0.119 0.000 1.084 180 V HN 0.225 8.375 8.190 -0.067 0.000 0.471 181 L N 0.168 121.320 121.223 -0.120 0.000 2.342 181 L HA 0.338 4.602 4.340 -0.125 0.000 0.271 181 L C -1.605 175.145 176.870 -0.199 0.000 1.008 181 L CA -1.385 53.369 54.840 -0.144 0.000 0.818 181 L CB 1.332 43.291 42.059 -0.166 0.000 1.296 181 L HN -0.176 7.973 8.230 -0.135 0.000 0.427 182 E N -2.028 118.063 120.200 -0.182 0.000 2.238 182 E HA 0.464 4.976 4.350 -0.140 -0.246 0.267 182 E C -0.351 176.191 176.600 -0.097 0.000 0.887 182 E CA -2.448 53.879 56.400 -0.122 0.000 0.769 182 E CB 2.811 32.500 29.700 -0.018 0.000 1.187 182 E HN -0.193 8.076 8.360 -0.152 0.000 0.416 183 W N 1.939 123.284 121.300 0.076 0.000 2.529 183 W HA -0.017 4.711 4.660 0.113 0.000 0.319 183 W C -1.041 175.592 176.519 0.190 0.000 1.362 183 W CA 1.025 58.457 57.345 0.146 0.000 1.348 183 W CB 0.689 30.238 29.460 0.148 0.000 1.403 183 W HN -0.006 8.339 8.180 0.275 0.000 0.519 184 R N 5.135 125.817 120.500 0.302 0.000 2.230 184 R HA 0.132 4.569 4.340 0.162 0.000 0.337 184 R C -1.086 175.251 176.300 0.061 0.000 1.063 184 R CA -1.524 54.666 56.100 0.149 0.000 0.935 184 R CB 0.890 31.205 30.300 0.024 0.000 1.121 184 R HN 0.022 8.329 8.270 0.241 0.108 0.486 185 F N 8.056 127.927 119.950 -0.131 0.000 2.529 185 F HA 0.010 4.101 4.527 -0.961 -0.140 0.365 185 F C -0.269 175.322 175.800 -0.349 0.000 1.102 185 F CA 0.666 58.367 58.000 -0.498 0.000 1.271 185 F CB 0.886 39.621 39.000 -0.441 0.000 1.120 185 F HN 0.172 8.626 8.300 0.257 0.000 0.579 186 D N 7.455 127.321 120.400 -0.891 0.000 2.978 186 D HA 0.085 4.627 4.640 -0.164 0.000 0.268 186 D C -0.542 175.391 176.300 -0.611 0.000 1.252 186 D CA 0.210 53.935 54.000 -0.459 0.000 0.771 186 D CB -0.249 40.380 40.800 -0.284 0.000 1.361 186 D HN 0.268 7.721 8.370 -1.528 0.000 0.558 187 S N 2.572 117.831 115.700 -0.734 0.000 2.481 187 S HA -0.363 3.786 4.470 -0.535 0.000 0.253 187 S C 1.440 175.966 174.600 -0.124 0.000 0.998 187 S CA 2.911 60.876 58.200 -0.391 0.000 0.972 187 S CB -0.295 62.882 63.200 -0.039 0.000 0.751 187 S HN 0.439 8.296 8.310 -0.755 0.000 0.515 188 R N 0.033 120.462 120.500 -0.118 0.000 2.193 188 R HA -0.189 4.294 4.340 0.238 0.000 0.229 188 R C 1.728 177.722 176.300 -0.510 0.000 1.110 188 R CA 2.156 58.201 56.100 -0.093 0.000 0.988 188 R CB -1.000 29.287 30.300 -0.022 0.000 0.871 188 R HN -0.365 7.720 8.270 -0.147 0.097 0.458 189 L N -0.818 120.169 121.223 -0.393 0.000 2.642 189 L HA -0.179 3.905 4.340 -0.426 0.000 0.236 189 L C -0.140 176.484 176.870 -0.411 0.000 1.169 189 L CA 0.744 55.323 54.840 -0.435 0.000 0.851 189 L CB -0.237 41.573 42.059 -0.416 0.000 0.968 189 L HN 0.283 8.261 8.230 -0.350 0.042 0.453 190 A N -1.541 121.169 122.820 -0.183 0.000 2.209 190 A HA -0.174 4.201 4.320 0.091 0.000 0.212 190 A C 0.422 178.244 177.584 0.396 0.000 1.158 190 A CA 2.301 54.413 52.037 0.125 0.000 0.742 190 A CB -0.174 18.960 19.000 0.224 0.000 0.790 190 A HN -0.086 7.739 8.150 -0.168 0.225 0.472 191 F N -7.265 112.869 119.950 0.307 0.000 2.764 191 F HA 0.101 4.865 4.527 0.395 0.000 0.342 191 F C 0.085 176.155 175.800 0.450 0.000 0.873 191 F CA -0.829 57.386 58.000 0.358 0.000 1.086 191 F CB 0.905 40.038 39.000 0.222 0.000 0.937 191 F HN -0.344 7.641 8.300 -0.407 0.070 0.623 192 H N 3.359 121.986 119.070 -0.738 0.000 2.598 192 H HA -0.041 4.631 4.556 0.193 0.000 0.371 192 H C -2.070 173.383 175.328 0.208 0.000 1.468 192 H CA 0.422 56.340 56.048 -0.216 0.000 1.454 192 H CB 1.230 30.665 29.762 -0.544 0.000 1.579 192 H HN -0.508 6.845 8.280 -1.545 0.000 0.611 193 H N -3.457 115.357 119.070 -0.427 0.000 2.734 193 H HA 0.227 4.822 4.556 0.065 0.000 0.247 193 H C -0.254 174.864 175.328 -0.351 0.000 1.415 193 H CA -0.677 55.288 56.048 -0.139 0.000 1.514 193 H CB 0.127 29.936 29.762 0.078 0.000 1.841 193 H HN 0.185 7.475 8.280 -1.651 0.000 0.609 194 M N 3.703 122.991 119.600 -0.520 0.000 2.216 194 M HA -0.032 4.136 4.480 -0.520 0.000 0.264 194 M C 1.652 177.843 176.300 -0.182 0.000 1.080 194 M CA 1.890 56.960 55.300 -0.384 0.000 1.153 194 M CB -0.745 31.748 32.600 -0.178 0.000 1.356 194 M HN 0.057 8.108 8.290 -0.400 0.000 0.432 195 A N -1.067 121.740 122.820 -0.022 0.000 2.084 195 A HA -0.387 3.862 4.320 -0.119 0.000 0.221 195 A C 1.700 179.349 177.584 0.107 0.000 1.161 195 A CA 3.014 55.081 52.037 0.050 0.000 0.653 195 A CB -0.880 18.262 19.000 0.237 0.000 0.802 195 A HN 0.141 8.313 8.150 0.036 0.000 0.457 196 R N -4.038 116.555 120.500 0.156 0.000 2.090 196 R HA -0.311 4.220 4.340 0.317 0.000 0.228 196 R C 0.877 177.235 176.300 0.096 0.000 1.110 196 R CA 2.767 59.004 56.100 0.228 0.000 0.973 196 R CB -0.442 30.055 30.300 0.329 0.000 0.869 196 R HN 0.277 8.583 8.270 0.131 0.043 0.440 197 E N -2.790 117.407 120.200 -0.004 0.000 2.274 197 E HA -0.188 4.153 4.350 -0.015 0.000 0.194 197 E C 1.814 178.298 176.600 -0.194 0.000 0.996 197 E CA 1.713 58.068 56.400 -0.075 0.000 0.840 197 E CB 0.146 29.774 29.700 -0.120 0.000 0.772 197 E HN -0.394 7.838 8.360 -0.046 0.101 0.491 198 L N -1.768 119.288 121.223 -0.278 0.000 2.004 198 L HA -0.154 3.822 4.340 -0.607 0.000 0.205 198 L C 1.232 177.563 176.870 -0.898 0.000 1.089 198 L CA 1.862 56.347 54.840 -0.591 0.000 0.756 198 L CB 0.757 42.520 42.059 -0.493 0.000 0.900 198 L HN -0.780 7.179 8.230 -0.204 0.149 0.440 199 H N -6.206 112.857 119.070 -0.012 0.000 2.699 199 H HA 0.446 5.027 4.556 0.041 0.000 0.256 199 H C -1.465 173.866 175.328 0.005 0.000 1.376 199 H CA -2.151 53.916 56.048 0.032 0.000 1.549 199 H CB 1.365 31.161 29.762 0.057 0.000 1.686 199 H HN -0.619 7.615 8.280 -0.078 0.000 0.550 200 P HA 0.043 4.454 4.420 -0.015 0.000 0.239 200 P C 0.724 177.972 177.300 -0.087 0.000 1.188 200 P CA 0.957 64.072 63.100 0.026 0.000 0.794 200 P CB 0.639 32.426 31.700 0.145 0.000 0.937 201 E N -3.552 116.627 120.200 -0.034 0.000 2.393 201 E HA -0.297 4.010 4.350 -0.073 0.000 0.201 201 E C 0.131 176.581 176.600 -0.250 0.000 1.025 201 E CA 2.331 58.664 56.400 -0.112 0.000 0.856 201 E CB -1.975 27.650 29.700 -0.125 0.000 0.771 201 E HN 0.363 8.702 8.360 0.034 0.041 0.526 202 Y N -2.468 117.569 120.300 -0.439 0.000 2.286 202 Y HA -0.204 4.195 4.550 -0.253 0.000 0.293 202 Y C 0.045 175.718 175.900 -0.379 0.000 1.124 202 Y CA 1.856 59.663 58.100 -0.489 0.000 1.178 202 Y CB 0.895 38.921 38.460 -0.723 0.000 1.010 202 Y HN -0.781 7.311 8.280 -0.167 0.088 0.536 203 F N -1.983 118.081 119.950 0.190 0.000 2.375 203 F HA 0.064 4.655 4.527 0.107 0.000 0.362 203 F C -0.374 175.460 175.800 0.056 0.000 1.129 203 F CA -1.760 56.306 58.000 0.110 0.000 1.154 203 F CB -1.156 37.905 39.000 0.101 0.000 1.205 203 F HN -0.330 7.372 8.300 -0.828 0.101 0.513 204 K N 6.834 127.340 120.400 0.175 0.000 2.180 204 K HA 0.060 4.420 4.320 0.068 0.000 0.250 204 K C -0.730 175.920 176.600 0.083 0.000 1.135 204 K CA -0.422 55.918 56.287 0.088 0.000 1.037 204 K CB -0.833 31.693 32.500 0.044 0.000 1.624 204 K HN 0.517 8.879 8.250 0.187 0.000 0.382 205 N N 4.035 122.783 118.700 0.081 0.000 2.158 205 N HA -0.147 4.619 4.740 0.043 0.000 0.190 205 N C 0.111 175.634 175.510 0.021 0.000 1.060 205 N CA 1.038 54.114 53.050 0.043 0.000 0.872 205 N CB -0.612 37.890 38.487 0.025 0.000 1.055 205 N HN 0.378 8.816 8.380 0.097 0.000 0.452 206 A N 0.000 122.827 122.820 0.011 0.000 2.254 206 A HA 0.000 4.320 4.320 0.001 0.000 0.244 206 A CA 0.000 52.039 52.037 0.003 0.000 0.836 206 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 206 A HN 0.000 8.157 8.150 0.012 0.000 0.486