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 2j2p_1_E DATA FIRST_RESID 71 DATA SEQUENCE NPcLTGPRTc KDLLDRGHFL SGWHTIYLPD cRPLTVLcDM DTDGGGWTVF DATA SEQUENCE QRRVDGSVDF YRDWATYKQG FGSRLGEFWL GNDNIHALTA QGTSELRTDL DATA SEQUENCE VDFEDNYQFA KYRSFKVADE AEKYNLVLGA FVEGSAGDSL TFHNNQSFST DATA SEQUENCE KDQDNDLNTG NcAVMFQGAW WYKNcHTSNL NGRYLRGTHG SFANGINWKS DATA SEQUENCE GKGYNYSYKV SEMKVRPA 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 71 N HA 0.000 nan 4.740 nan 0.000 0.220 71 N C 0.000 175.437 175.510 -0.121 0.000 1.280 71 N CA 0.000 53.011 53.050 -0.066 0.000 0.885 71 N CB 0.000 38.456 38.487 -0.051 0.000 1.341 72 P HA -0.099 4.321 4.420 0.000 0.000 0.219 72 P C 1.518 178.461 177.300 -0.594 0.000 1.146 72 P CA 1.144 64.095 63.100 -0.249 0.000 0.808 72 P CB -0.109 31.524 31.700 -0.111 0.000 0.779 73 c N -0.394 117.943 118.600 -0.439 0.000 2.413 73 c HA -0.127 4.446 4.570 0.005 0.000 0.276 73 c C 2.744 176.601 174.090 -0.389 0.000 1.248 73 c CA 0.688 56.730 56.329 -0.478 0.000 1.742 73 c CB -1.860 40.595 42.510 -0.091 0.000 2.017 73 c HN 0.092 8.322 8.230 0.000 0.000 0.481 74 L N 0.703 121.780 121.223 -0.244 0.000 2.131 74 L HA -0.007 4.336 4.340 0.005 0.000 0.206 74 L C 2.869 179.639 176.870 -0.166 0.000 1.087 74 L CA 1.959 56.703 54.840 -0.159 0.000 0.767 74 L CB -0.718 41.281 42.059 -0.100 0.000 0.917 74 L HN 0.580 8.810 8.230 0.000 0.000 0.441 75 T N -3.105 111.331 114.554 -0.196 0.000 3.065 75 T HA 0.132 4.485 4.350 0.005 0.000 0.252 75 T C 1.011 175.615 174.700 -0.159 0.000 1.099 75 T CA 0.223 62.236 62.100 -0.145 0.000 1.063 75 T CB -0.197 68.608 68.868 -0.106 0.000 0.948 75 T HN 0.193 8.433 8.240 0.000 0.000 0.506 76 G N 2.621 111.250 108.800 -0.285 0.000 2.562 76 G HA2 0.567 4.529 3.960 0.005 0.000 0.275 76 G HA3 0.567 4.529 3.960 0.005 0.000 0.275 76 G C -2.664 172.200 174.900 -0.060 0.000 1.196 76 G CA -1.542 43.439 45.100 -0.198 0.000 0.908 76 G HN 0.243 8.533 8.290 0.000 0.000 0.524 77 P HA 0.286 4.706 4.420 0.000 0.000 0.279 77 P C 0.035 177.372 177.300 0.062 0.000 1.239 77 P CA -0.539 62.567 63.100 0.009 0.000 0.789 77 P CB 1.800 33.470 31.700 -0.050 0.000 0.933 78 R N 0.626 121.133 120.500 0.013 0.000 2.189 78 R HA 0.148 4.491 4.340 0.005 0.000 0.203 78 R C 1.117 177.413 176.300 -0.007 0.000 1.012 78 R CA 0.914 57.029 56.100 0.025 0.000 1.015 78 R CB -0.801 29.500 30.300 0.002 0.000 0.938 78 R HN 0.667 8.937 8.270 0.000 0.000 0.472 79 T N -4.907 109.621 114.554 -0.043 0.000 2.812 79 T HA 0.208 4.561 4.350 0.005 0.000 0.294 79 T C 1.066 175.703 174.700 -0.105 0.000 1.159 79 T CA -0.771 61.291 62.100 -0.063 0.000 1.008 79 T CB 1.467 70.294 68.868 -0.069 0.000 1.289 79 T HN -0.018 8.222 8.240 0.000 0.000 0.514 80 c N 0.410 118.945 118.600 -0.107 0.000 2.419 80 c HA 0.060 4.633 4.570 0.005 0.000 0.281 80 c C 2.739 176.719 174.090 -0.183 0.000 1.336 80 c CA 0.886 57.125 56.329 -0.149 0.000 1.770 80 c CB -1.209 41.245 42.510 -0.094 0.000 1.929 80 c HN 1.028 9.258 8.230 0.000 0.000 0.509 81 K N 0.972 121.271 120.400 -0.168 0.000 2.057 81 K HA -0.177 4.146 4.320 0.005 0.000 0.207 81 K C 1.475 177.977 176.600 -0.163 0.000 1.049 81 K CA 1.855 58.033 56.287 -0.182 0.000 0.931 81 K CB -0.215 32.178 32.500 -0.179 0.000 0.714 81 K HN 0.358 8.608 8.250 0.000 0.000 0.440 82 D N 0.961 121.276 120.400 -0.142 0.000 2.133 82 D HA -0.185 4.457 4.640 0.005 0.000 0.195 82 D C 1.927 178.130 176.300 -0.161 0.000 0.997 82 D CA 1.080 55.005 54.000 -0.126 0.000 0.840 82 D CB -0.174 40.566 40.800 -0.099 0.000 0.947 82 D HN 0.220 8.590 8.370 0.000 0.000 0.452 83 L N -0.035 121.047 121.223 -0.235 0.000 2.141 83 L HA -0.138 4.205 4.340 0.005 0.000 0.209 83 L C 2.295 178.999 176.870 -0.277 0.000 1.094 83 L CA 0.308 54.938 54.840 -0.350 0.000 0.763 83 L CB -0.213 41.463 42.059 -0.639 0.000 0.908 83 L HN 0.083 8.313 8.230 0.000 0.000 0.437 84 L N -0.172 120.888 121.223 -0.272 0.000 2.056 84 L HA -0.199 4.144 4.340 0.005 0.000 0.207 84 L C 1.937 178.628 176.870 -0.297 0.000 1.078 84 L CA 1.866 56.520 54.840 -0.310 0.000 0.749 84 L CB -0.619 41.310 42.059 -0.217 0.000 0.901 84 L HN 0.181 8.411 8.230 0.000 0.000 0.433 85 D N -0.164 120.129 120.400 -0.179 0.000 2.149 85 D HA -0.163 4.479 4.640 0.005 0.000 0.198 85 D C 2.040 178.282 176.300 -0.095 0.000 0.990 85 D CA 1.276 55.209 54.000 -0.111 0.000 0.839 85 D CB -0.172 40.578 40.800 -0.084 0.000 0.948 85 D HN 0.379 8.749 8.370 0.000 0.000 0.460 86 R N -0.434 120.011 120.500 -0.092 0.000 2.319 86 R HA 0.246 4.588 4.340 0.005 0.000 0.204 86 R C 0.945 177.206 176.300 -0.065 0.000 0.954 86 R CA 0.515 56.597 56.100 -0.031 0.000 1.066 86 R CB 0.277 30.595 30.300 0.030 0.000 0.991 86 R HN 0.158 8.428 8.270 0.000 0.000 0.486 87 G N 1.140 109.790 108.800 -0.251 0.000 2.140 87 G HA2 -0.231 3.732 3.960 0.005 0.000 0.211 87 G HA3 -0.231 3.732 3.960 0.005 0.000 0.211 87 G C -0.805 173.702 174.900 -0.656 0.000 1.013 87 G CA -0.450 44.374 45.100 -0.460 0.000 0.705 87 G HN 0.433 8.723 8.290 0.000 0.000 0.508 88 H N -0.709 117.974 119.070 -0.644 0.000 2.640 88 H HA 0.578 5.137 4.556 0.004 0.000 0.297 88 H C 0.490 175.505 175.328 -0.522 0.000 1.073 88 H CA -0.805 55.009 56.048 -0.390 0.000 1.305 88 H CB 0.449 30.045 29.762 -0.276 0.000 1.404 88 H HN 0.175 8.455 8.280 0.000 0.000 0.459 89 F N 1.404 121.408 119.950 0.091 0.000 2.678 89 F HA 0.206 4.735 4.527 0.004 0.000 0.305 89 F C -0.180 175.663 175.800 0.073 0.000 1.090 89 F CA -0.277 57.758 58.000 0.059 0.000 1.272 89 F CB 0.494 39.508 39.000 0.022 0.000 1.060 89 F HN 0.294 8.594 8.300 0.000 0.000 0.576 90 L N 0.178 121.542 121.223 0.234 0.000 2.307 90 L HA 0.372 4.715 4.340 0.005 0.000 0.282 90 L C 0.566 177.537 176.870 0.169 0.000 1.051 90 L CA -0.336 54.610 54.840 0.178 0.000 0.804 90 L CB 1.332 43.483 42.059 0.153 0.000 1.197 90 L HN -0.157 8.073 8.230 0.000 0.000 0.431 91 S N 1.433 117.201 115.700 0.113 0.000 2.560 91 S HA 0.676 5.149 4.470 0.005 0.000 0.284 91 S C 0.356 174.982 174.600 0.042 0.000 1.327 91 S CA 0.302 58.546 58.200 0.074 0.000 1.055 91 S CB 0.578 63.799 63.200 0.034 0.000 0.868 91 S HN 0.959 9.269 8.310 0.000 0.000 0.506 92 G N 1.295 110.078 108.800 -0.028 0.000 2.315 92 G HA2 0.324 4.287 3.960 0.005 0.000 0.294 92 G HA3 0.324 4.287 3.960 0.005 0.000 0.294 92 G C -2.276 172.465 174.900 -0.265 0.000 1.300 92 G CA -1.125 43.907 45.100 -0.114 0.000 0.843 92 G HN 0.565 8.855 8.290 0.000 0.000 0.527 93 W N 1.119 122.279 121.300 -0.234 0.000 2.358 93 W HA 0.669 5.331 4.660 0.002 0.000 0.307 93 W C 0.262 176.578 176.519 -0.338 0.000 1.203 93 W CA 0.038 57.254 57.345 -0.215 0.000 1.279 93 W CB 0.622 29.970 29.460 -0.186 0.000 1.264 93 W HN 0.504 8.684 8.180 0.000 0.000 0.474 94 H N 0.043 119.143 119.070 0.051 0.000 2.621 94 H HA 0.462 5.021 4.556 0.005 0.000 0.360 94 H C 0.038 175.356 175.328 -0.017 0.000 1.163 94 H CA -1.002 55.039 56.048 -0.011 0.000 1.194 94 H CB 1.838 31.529 29.762 -0.118 0.000 1.649 94 H HN 0.173 8.453 8.280 0.000 0.000 0.532 95 T N 2.341 116.950 114.554 0.093 0.000 2.767 95 T HA 0.536 4.889 4.350 0.005 0.000 0.288 95 T C 0.048 174.715 174.700 -0.056 0.000 0.963 95 T CA -0.721 61.368 62.100 -0.017 0.000 1.019 95 T CB -0.240 68.582 68.868 -0.076 0.000 0.923 95 T HN 0.554 8.794 8.240 0.000 0.000 0.468 96 I N 1.542 122.042 120.570 -0.117 0.000 3.133 96 I HA 0.704 4.877 4.170 0.005 0.000 0.311 96 I C -1.511 174.461 176.117 -0.241 0.000 1.072 96 I CA -1.726 59.534 61.300 -0.066 0.000 1.015 96 I CB 1.730 39.712 38.000 -0.030 0.000 1.233 96 I HN 0.494 8.704 8.210 0.000 0.000 0.473 97 Y N 1.995 122.279 120.300 -0.027 0.000 2.328 97 Y HA 0.589 5.142 4.550 0.005 0.000 0.336 97 Y C -0.139 175.746 175.900 -0.025 0.000 0.960 97 Y CA -0.517 57.570 58.100 -0.022 0.000 1.134 97 Y CB 1.698 40.145 38.460 -0.021 0.000 1.166 97 Y HN 0.373 8.653 8.280 0.000 0.000 0.464 98 L N 5.424 126.686 121.223 0.065 0.000 2.456 98 L HA 0.267 4.610 4.340 0.005 0.000 0.257 98 L C -1.314 175.584 176.870 0.047 0.000 1.162 98 L CA -1.660 53.199 54.840 0.030 0.000 0.808 98 L CB 0.535 42.591 42.059 -0.005 0.000 1.136 98 L HN 0.419 8.649 8.230 0.000 0.000 0.466 99 P HA -0.231 4.189 4.420 0.000 0.000 0.216 99 P C 0.643 177.957 177.300 0.023 0.000 1.167 99 P CA 1.534 64.640 63.100 0.011 0.000 0.914 99 P CB -0.136 31.555 31.700 -0.015 0.000 0.793 100 D N -2.213 118.201 120.400 0.023 0.000 2.411 100 D HA -0.145 4.498 4.640 0.005 0.000 0.226 100 D C 0.585 176.913 176.300 0.047 0.000 0.988 100 D CA 0.418 54.437 54.000 0.032 0.000 0.938 100 D CB -1.335 39.484 40.800 0.032 0.000 0.883 100 D HN 0.185 8.555 8.370 0.000 0.000 0.525 101 c N -1.238 117.403 118.600 0.068 0.000 5.102 101 c HA -0.199 4.374 4.570 0.005 0.000 0.236 101 c C 0.723 174.913 174.090 0.167 0.000 1.316 101 c CA 0.034 56.432 56.329 0.116 0.000 1.394 101 c CB -2.404 40.152 42.510 0.078 0.000 1.902 101 c HN 0.667 8.897 8.230 0.000 0.000 0.644 102 R N 2.120 122.672 120.500 0.087 0.000 2.389 102 R HA 0.365 4.708 4.340 0.005 0.000 0.295 102 R C -2.155 174.106 176.300 -0.065 0.000 1.075 102 R CA -0.701 55.419 56.100 0.033 0.000 1.005 102 R CB 0.769 31.076 30.300 0.011 0.000 0.987 102 R HN 0.334 8.604 8.270 0.000 0.000 0.452 103 P HA 0.122 4.542 4.420 0.000 0.000 0.275 103 P C -1.095 176.045 177.300 -0.266 0.000 1.227 103 P CA -0.159 62.649 63.100 -0.486 0.000 0.781 103 P CB 1.091 32.480 31.700 -0.518 0.000 0.906 104 L N 1.695 122.759 121.223 -0.264 0.000 2.482 104 L HA 0.333 4.676 4.340 0.005 0.000 0.263 104 L C -0.645 176.167 176.870 -0.098 0.000 0.957 104 L CA -0.463 54.297 54.840 -0.134 0.000 0.836 104 L CB 2.678 44.685 42.059 -0.087 0.000 1.324 104 L HN 0.261 8.491 8.230 0.000 0.000 0.406 105 T N 3.666 118.200 114.554 -0.034 0.000 2.733 105 T HA 0.477 4.830 4.350 0.005 0.000 0.294 105 T C -0.161 174.660 174.700 0.201 0.000 0.956 105 T CA -0.281 61.854 62.100 0.059 0.000 0.987 105 T CB 0.979 69.868 68.868 0.034 0.000 0.920 105 T HN 0.421 8.661 8.240 0.000 0.000 0.470 106 V N 2.387 122.393 119.914 0.153 0.000 3.113 106 V HA 0.809 4.932 4.120 0.005 0.000 0.316 106 V C -0.728 175.158 176.094 -0.346 0.000 1.125 106 V CA -1.429 60.867 62.300 -0.007 0.000 1.026 106 V CB 1.811 33.600 31.823 -0.057 0.000 1.080 106 V HN 0.599 8.789 8.190 0.000 0.000 0.444 107 L N 2.550 123.210 121.223 -0.939 0.000 2.265 107 L HA 0.654 4.996 4.340 0.005 0.000 0.288 107 L C -0.254 176.358 176.870 -0.430 0.000 1.058 107 L CA 0.172 54.321 54.840 -1.151 0.000 0.809 107 L CB 0.230 41.377 42.059 -1.521 0.000 1.179 107 L HN 0.933 9.163 8.230 0.000 0.000 0.429 108 c N 3.883 122.352 118.600 -0.220 0.000 2.285 108 c HA 0.368 4.941 4.570 0.005 0.000 0.335 108 c C 0.015 174.089 174.090 -0.026 0.000 1.267 108 c CA -0.860 55.435 56.329 -0.057 0.000 1.762 108 c CB 0.401 42.921 42.510 0.016 0.000 2.365 108 c HN 0.723 8.953 8.230 0.000 0.000 0.527 109 D N 3.848 124.264 120.400 0.028 0.000 2.380 109 D HA 0.229 4.872 4.640 0.005 0.000 0.230 109 D C 0.522 176.914 176.300 0.153 0.000 1.154 109 D CA -0.229 53.810 54.000 0.067 0.000 0.859 109 D CB 0.720 41.538 40.800 0.030 0.000 1.045 109 D HN 0.384 8.754 8.370 0.000 0.000 0.495 110 M N 2.611 122.274 119.600 0.105 0.000 2.383 110 M HA 0.112 4.595 4.480 0.005 0.000 0.247 110 M C 0.747 177.121 176.300 0.122 0.000 1.117 110 M CA 0.106 55.468 55.300 0.104 0.000 0.995 110 M CB -0.065 32.587 32.600 0.087 0.000 1.480 110 M HN 0.338 8.628 8.290 0.000 0.000 0.485 111 D N 0.491 120.957 120.400 0.110 0.000 2.431 111 D HA 0.022 4.664 4.640 0.005 0.000 0.235 111 D C -0.027 176.310 176.300 0.061 0.000 0.980 111 D CA 0.749 54.792 54.000 0.072 0.000 0.912 111 D CB 0.708 41.531 40.800 0.039 0.000 1.056 111 D HN 0.074 8.444 8.370 0.000 0.000 0.494 112 T N 0.858 115.452 114.554 0.067 0.000 2.832 112 T HA 0.144 4.497 4.350 0.005 0.000 0.296 112 T C -0.357 174.435 174.700 0.153 0.000 0.968 112 T CA -0.151 61.950 62.100 0.002 0.000 1.107 112 T CB 1.143 69.905 68.868 -0.176 0.000 0.916 112 T HN 0.177 8.417 8.240 0.000 0.000 0.517 113 D N 1.722 122.149 120.400 0.044 0.000 2.740 113 D HA -0.206 4.437 4.640 0.005 0.000 0.231 113 D C 1.283 177.717 176.300 0.222 0.000 1.194 113 D CA 1.987 56.046 54.000 0.098 0.000 0.673 113 D CB -1.278 39.568 40.800 0.077 0.000 0.995 113 D HN 1.111 9.481 8.370 0.000 0.000 0.411 114 G N -0.953 107.917 108.800 0.117 0.000 2.299 114 G HA2 0.079 4.042 3.960 0.005 0.000 0.237 114 G HA3 0.079 4.042 3.960 0.005 0.000 0.237 114 G C 1.435 176.359 174.900 0.041 0.000 1.027 114 G CA 0.690 45.822 45.100 0.054 0.000 0.619 114 G HN 1.930 10.220 8.290 0.000 0.000 0.513 115 G N -1.159 107.717 108.800 0.126 0.000 2.795 115 G HA2 0.480 4.443 3.960 0.005 0.000 0.664 115 G HA3 0.480 4.443 3.960 0.005 0.000 0.664 115 G C 1.393 176.175 174.900 -0.196 0.000 1.381 115 G CA 1.174 46.325 45.100 0.084 0.000 0.853 115 G HN 2.602 10.892 8.290 0.000 0.000 0.545 116 G N -2.100 106.619 108.800 -0.136 0.000 2.131 116 G HA2 -0.108 3.855 3.960 0.005 0.000 0.223 116 G HA3 -0.108 3.855 3.960 0.005 0.000 0.223 116 G C 0.307 175.041 174.900 -0.277 0.000 0.990 116 G CA 0.808 45.763 45.100 -0.242 0.000 0.671 116 G HN 1.559 9.849 8.290 0.000 0.000 0.521 117 W N 0.899 122.151 121.300 -0.080 0.000 2.315 117 W HA 0.584 5.248 4.660 0.007 0.000 0.316 117 W C 0.624 177.088 176.519 -0.093 0.000 1.211 117 W CA -0.307 56.989 57.345 -0.081 0.000 1.201 117 W CB 1.043 30.447 29.460 -0.093 0.000 1.184 117 W HN 0.057 8.237 8.180 0.000 0.000 0.544 118 T N 3.049 117.698 114.554 0.157 0.000 2.744 118 T HA 0.351 4.703 4.350 0.005 0.000 0.291 118 T C -0.181 174.564 174.700 0.074 0.000 0.957 118 T CA -0.654 61.488 62.100 0.070 0.000 1.002 118 T CB 0.496 69.397 68.868 0.053 0.000 0.919 118 T HN 0.096 8.336 8.240 0.000 0.000 0.468 119 V N 5.258 125.159 119.914 -0.020 0.000 2.465 119 V HA 0.325 4.448 4.120 0.005 0.000 0.279 119 V C 0.474 176.576 176.094 0.013 0.000 1.045 119 V CA -0.446 61.794 62.300 -0.101 0.000 0.938 119 V CB 0.369 32.122 31.823 -0.117 0.000 0.986 119 V HN 0.982 9.172 8.190 0.000 0.000 0.467 120 F N 1.030 120.920 119.950 -0.101 0.000 2.728 120 F HA 0.511 5.042 4.527 0.006 0.000 0.314 120 F C 0.345 175.912 175.800 -0.389 0.000 1.094 120 F CA -0.216 57.677 58.000 -0.178 0.000 1.217 120 F CB 0.371 39.178 39.000 -0.322 0.000 1.056 120 F HN 0.441 8.741 8.300 0.000 0.000 0.577 121 Q N 1.978 121.402 119.800 -0.627 0.000 2.309 121 Q HA 0.474 4.816 4.340 0.005 0.000 0.273 121 Q C -1.710 173.940 176.000 -0.584 0.000 1.040 121 Q CA -0.518 55.020 55.803 -0.441 0.000 0.834 121 Q CB 2.964 31.724 28.738 0.037 0.000 1.345 121 Q HN 0.570 8.840 8.270 0.000 0.000 0.414 122 R N 2.914 123.057 120.500 -0.595 0.000 2.518 122 R HA 0.439 4.781 4.340 0.005 0.000 0.287 122 R C -1.326 174.846 176.300 -0.213 0.000 1.135 122 R CA -0.496 55.351 56.100 -0.421 0.000 0.967 122 R CB 1.030 31.041 30.300 -0.482 0.000 1.212 122 R HN 0.515 8.785 8.270 0.000 0.000 0.422 123 R N 3.148 123.546 120.500 -0.171 0.000 2.664 123 R HA 0.485 4.828 4.340 0.005 0.000 0.286 123 R C -0.314 175.989 176.300 0.005 0.000 0.967 123 R CA -0.670 55.371 56.100 -0.098 0.000 0.933 123 R CB 1.995 32.235 30.300 -0.099 0.000 1.146 123 R HN 0.481 8.751 8.270 0.000 0.000 0.468 124 V N 0.435 120.371 119.914 0.036 0.000 3.079 124 V HA -0.044 4.079 4.120 0.005 0.000 0.232 124 V C -0.322 175.781 176.094 0.015 0.000 1.594 124 V CA 1.124 63.450 62.300 0.044 0.000 1.153 124 V CB 0.698 32.534 31.823 0.021 0.000 1.049 124 V HN 0.874 9.064 8.190 0.000 0.000 0.448 125 D N -0.911 119.326 120.400 -0.271 0.000 2.516 125 D HA 0.271 4.914 4.640 0.005 0.000 0.241 125 D C 1.316 177.036 176.300 -0.967 0.000 1.246 125 D CA 0.867 54.630 54.000 -0.396 0.000 0.808 125 D CB 0.548 41.274 40.800 -0.123 0.000 1.147 125 D HN 0.858 9.228 8.370 0.000 0.000 0.527 126 G N 0.852 108.811 108.800 -1.402 0.000 2.147 126 G HA2 -0.344 3.618 3.960 0.005 0.000 0.244 126 G HA3 -0.344 3.618 3.960 0.005 0.000 0.244 126 G C 1.122 175.873 174.900 -0.248 0.000 1.005 126 G CA 0.976 45.517 45.100 -0.932 0.000 0.713 126 G HN 0.739 9.029 8.290 0.000 0.000 0.515 127 S N -1.909 113.701 115.700 -0.150 0.000 2.414 127 S HA 0.348 4.821 4.470 0.005 0.000 0.227 127 S C 0.985 175.630 174.600 0.075 0.000 1.022 127 S CA 1.002 59.193 58.200 -0.015 0.000 0.958 127 S CB 0.476 63.678 63.200 0.003 0.000 0.797 127 S HN 0.881 9.191 8.310 0.000 0.000 0.493 128 V N 2.964 122.978 119.914 0.166 0.000 2.427 128 V HA 0.394 4.516 4.120 0.005 0.000 0.286 128 V C -0.427 175.882 176.094 0.358 0.000 1.034 128 V CA -0.936 61.516 62.300 0.254 0.000 0.893 128 V CB 1.451 33.471 31.823 0.328 0.000 0.982 128 V HN 0.302 8.492 8.190 0.000 0.000 0.452 129 D N 2.625 123.161 120.400 0.227 0.000 2.348 129 D HA 0.178 4.821 4.640 0.005 0.000 0.253 129 D C 0.007 176.444 176.300 0.229 0.000 1.161 129 D CA 0.135 54.276 54.000 0.236 0.000 0.876 129 D CB 0.772 41.643 40.800 0.118 0.000 1.160 129 D HN 0.370 8.740 8.370 0.000 0.000 0.459 130 F N 2.772 122.855 119.950 0.222 0.000 2.653 130 F HA 0.129 4.660 4.527 0.006 0.000 0.304 130 F C 0.216 176.212 175.800 0.326 0.000 1.092 130 F CA -0.464 57.720 58.000 0.306 0.000 1.279 130 F CB 0.032 39.252 39.000 0.367 0.000 1.044 130 F HN 0.406 8.706 8.300 0.000 0.000 0.564 131 Y N 3.089 123.497 120.300 0.179 0.000 2.767 131 Y HA 0.365 4.918 4.550 0.006 0.000 0.354 131 Y C 0.190 176.119 175.900 0.048 0.000 1.292 131 Y CA -1.104 57.074 58.100 0.130 0.000 1.749 131 Y CB -0.800 37.715 38.460 0.091 0.000 1.841 131 Y HN -0.155 8.125 8.280 0.000 0.000 0.454 132 R N 0.954 121.490 120.500 0.061 0.000 2.856 132 R HA 0.293 4.635 4.340 0.005 0.000 0.258 132 R C -0.138 176.183 176.300 0.034 0.000 1.066 132 R CA -0.839 55.186 56.100 -0.125 0.000 1.045 132 R CB 0.502 30.489 30.300 -0.522 0.000 1.178 132 R HN 0.465 8.735 8.270 0.000 0.000 0.499 133 D N -0.668 119.729 120.400 -0.006 0.000 2.411 133 D HA -0.049 4.594 4.640 0.005 0.000 0.251 133 D C 1.008 177.466 176.300 0.264 0.000 1.201 133 D CA -0.583 53.477 54.000 0.100 0.000 0.996 133 D CB 0.576 41.409 40.800 0.055 0.000 1.101 133 D HN 0.512 8.882 8.370 0.000 0.000 0.504 134 W N 0.607 121.973 121.300 0.109 0.000 2.317 134 W HA -0.314 4.348 4.660 0.005 0.000 0.318 134 W C 1.921 178.560 176.519 0.199 0.000 1.227 134 W CA 2.542 59.997 57.345 0.183 0.000 1.269 134 W CB -0.562 28.984 29.460 0.143 0.000 1.155 134 W HN 0.550 8.730 8.180 0.000 0.000 0.484 135 A N 0.542 123.549 122.820 0.311 0.000 1.903 135 A HA -0.292 4.031 4.320 0.005 0.000 0.219 135 A C 1.924 179.559 177.584 0.084 0.000 1.191 135 A CA 3.198 55.342 52.037 0.178 0.000 0.638 135 A CB -1.397 17.696 19.000 0.155 0.000 0.823 135 A HN 0.381 8.531 8.150 0.000 0.000 0.451 136 T N -1.844 112.747 114.554 0.061 0.000 2.737 136 T HA -0.114 4.239 4.350 0.005 0.000 0.265 136 T C 1.764 176.509 174.700 0.074 0.000 1.038 136 T CA 1.603 63.704 62.100 0.002 0.000 1.144 136 T CB -0.433 68.320 68.868 -0.193 0.000 0.866 136 T HN 0.512 8.752 8.240 0.000 0.000 0.434 137 Y N 1.580 121.885 120.300 0.007 0.000 2.274 137 Y HA -0.075 4.477 4.550 0.004 0.000 0.290 137 Y C 2.514 178.371 175.900 -0.071 0.000 1.145 137 Y CA 1.147 59.253 58.100 0.009 0.000 1.203 137 Y CB -0.117 38.262 38.460 -0.135 0.000 0.984 137 Y HN 0.104 8.384 8.280 0.000 0.000 0.533 138 K N 0.624 120.976 120.400 -0.079 0.000 2.026 138 K HA -0.259 4.063 4.320 0.005 0.000 0.208 138 K C 1.970 178.552 176.600 -0.031 0.000 1.048 138 K CA 1.990 58.176 56.287 -0.168 0.000 0.929 138 K CB -0.130 32.307 32.500 -0.105 0.000 0.713 138 K HN 0.528 8.778 8.250 0.000 0.000 0.439 139 Q N -0.666 119.162 119.800 0.046 0.000 2.396 139 Q HA 0.159 4.502 4.340 0.005 0.000 0.209 139 Q C 0.158 176.202 176.000 0.073 0.000 0.906 139 Q CA 0.447 56.283 55.803 0.056 0.000 0.927 139 Q CB 0.732 29.506 28.738 0.060 0.000 1.069 139 Q HN 0.278 8.548 8.270 0.000 0.000 0.523 140 G N 1.119 110.008 108.800 0.147 0.000 2.712 140 G HA2 0.056 4.019 3.960 0.005 0.000 0.686 140 G HA3 0.056 4.019 3.960 0.005 0.000 0.686 140 G C -0.740 174.267 174.900 0.178 0.000 1.181 140 G CA -0.431 44.750 45.100 0.136 0.000 0.762 140 G HN 0.598 8.888 8.290 0.000 0.000 0.641 141 F N -0.543 119.418 119.950 0.018 0.000 2.741 141 F HA 0.917 5.446 4.527 0.003 0.000 0.311 141 F C 0.635 176.430 175.800 -0.009 0.000 1.149 141 F CA 0.080 58.045 58.000 -0.058 0.000 0.930 141 F CB 1.164 40.057 39.000 -0.178 0.000 1.312 141 F HN 2.484 10.784 8.300 0.000 0.000 0.450 142 G N 0.772 109.652 108.800 0.133 0.000 2.378 142 G HA2 0.412 4.374 3.960 0.005 0.000 0.198 142 G HA3 0.412 4.374 3.960 0.005 0.000 0.198 142 G C -1.317 173.619 174.900 0.060 0.000 1.223 142 G CA -0.368 44.794 45.100 0.104 0.000 1.088 142 G HN 1.777 10.067 8.290 0.000 0.000 0.530 143 S N -1.156 114.598 115.700 0.090 0.000 2.614 143 S HA 0.582 5.054 4.470 0.005 0.000 0.275 143 S C 1.037 175.573 174.600 -0.107 0.000 1.161 143 S CA 0.124 58.299 58.200 -0.042 0.000 0.969 143 S CB 1.543 64.747 63.200 0.007 0.000 1.059 143 S HN 0.796 9.106 8.310 0.000 0.000 0.482 144 R N 2.278 122.480 120.500 -0.497 0.000 2.249 144 R HA -0.046 4.296 4.340 0.005 0.000 0.230 144 R C 1.156 177.332 176.300 -0.206 0.000 1.121 144 R CA 1.023 56.585 56.100 -0.897 0.000 0.997 144 R CB -0.288 28.955 30.300 -1.761 0.000 0.867 144 R HN 0.500 8.770 8.270 0.000 0.000 0.465 145 L N -1.130 120.025 121.223 -0.114 0.000 2.313 145 L HA 0.043 4.386 4.340 0.005 0.000 0.214 145 L C 1.407 178.344 176.870 0.113 0.000 1.119 145 L CA 1.448 56.293 54.840 0.008 0.000 0.809 145 L CB 0.100 42.144 42.059 -0.025 0.000 0.933 145 L HN 0.270 8.500 8.230 0.000 0.000 0.449 146 G N -2.391 106.515 108.800 0.177 0.000 3.517 146 G HA2 0.190 4.153 3.960 0.005 0.000 0.173 146 G HA3 0.190 4.153 3.960 0.005 0.000 0.173 146 G C -0.625 174.469 174.900 0.324 0.000 1.340 146 G CA -0.422 44.802 45.100 0.206 0.000 1.228 146 G HN 0.107 8.397 8.290 0.000 0.000 0.745 147 E N -0.022 120.353 120.200 0.292 0.000 2.248 147 E HA 0.602 4.955 4.350 0.005 0.000 0.272 147 E C -1.113 175.765 176.600 0.465 0.000 1.008 147 E CA -0.474 56.130 56.400 0.341 0.000 0.856 147 E CB 1.926 31.845 29.700 0.365 0.000 1.120 147 E HN 0.476 8.836 8.360 0.000 0.000 0.397 148 F N -1.239 118.898 119.950 0.311 0.000 2.799 148 F HA 0.460 4.990 4.527 0.005 0.000 0.316 148 F C -2.213 173.648 175.800 0.101 0.000 1.155 148 F CA -1.218 56.817 58.000 0.058 0.000 0.916 148 F CB 1.145 40.195 39.000 0.084 0.000 1.294 148 F HN 0.534 8.834 8.300 0.000 0.000 0.447 149 W N 5.842 126.922 121.300 -0.367 0.000 2.715 149 W HA 0.380 5.042 4.660 0.003 0.000 0.331 149 W C -0.461 176.043 176.519 -0.024 0.000 1.031 149 W CA -0.913 56.270 57.345 -0.270 0.000 1.237 149 W CB 2.144 31.188 29.460 -0.693 0.000 1.378 149 W HN 0.910 9.090 8.180 0.000 0.000 0.454 150 L N 4.722 125.830 121.223 -0.192 0.000 2.191 150 L HA 0.055 4.398 4.340 0.005 0.000 0.212 150 L C 0.928 177.711 176.870 -0.145 0.000 1.103 150 L CA 2.214 57.022 54.840 -0.053 0.000 0.769 150 L CB -0.391 41.660 42.059 -0.014 0.000 0.908 150 L HN 0.740 8.970 8.230 0.000 0.000 0.438 151 G N -1.055 107.566 108.800 -0.297 0.000 2.742 151 G HA2 -0.206 3.756 3.960 0.005 0.000 0.686 151 G HA3 -0.206 3.756 3.960 0.005 0.000 0.686 151 G C -0.105 174.698 174.900 -0.161 0.000 1.220 151 G CA -0.197 44.892 45.100 -0.017 0.000 0.783 151 G HN 0.102 8.392 8.290 0.000 0.000 0.646 152 N N 0.475 119.050 118.700 -0.208 0.000 2.244 152 N HA -0.054 4.689 4.740 0.005 0.000 0.183 152 N C 1.622 176.877 175.510 -0.426 0.000 1.016 152 N CA 1.457 54.125 53.050 -0.635 0.000 0.866 152 N CB -0.045 37.480 38.487 -1.605 0.000 0.980 152 N HN 0.618 8.998 8.380 0.000 0.000 0.430 153 D N 0.835 121.137 120.400 -0.164 0.000 2.097 153 D HA -0.055 4.588 4.640 0.005 0.000 0.197 153 D C 1.500 177.832 176.300 0.053 0.000 0.984 153 D CA 0.754 54.802 54.000 0.080 0.000 0.826 153 D CB -0.309 40.556 40.800 0.108 0.000 0.973 153 D HN 0.203 8.573 8.370 0.000 0.000 0.460 154 N N 0.798 119.482 118.700 -0.027 0.000 2.084 154 N HA -0.097 4.646 4.740 0.005 0.000 0.190 154 N C 2.153 177.617 175.510 -0.077 0.000 1.030 154 N CA 0.533 53.555 53.050 -0.046 0.000 0.849 154 N CB -0.327 38.124 38.487 -0.058 0.000 1.012 154 N HN 0.292 8.672 8.380 0.000 0.000 0.423 155 I N 0.701 121.181 120.570 -0.150 0.000 2.286 155 I HA -0.270 3.903 4.170 0.005 0.000 0.248 155 I C 2.481 178.550 176.117 -0.080 0.000 1.115 155 I CA 1.086 62.259 61.300 -0.213 0.000 1.392 155 I CB -0.438 37.300 38.000 -0.437 0.000 1.065 155 I HN 0.326 8.536 8.210 0.000 0.000 0.418 156 H N 1.605 120.625 119.070 -0.084 0.000 2.326 156 H HA -0.139 4.420 4.556 0.004 0.000 0.301 156 H C 2.256 177.584 175.328 -0.001 0.000 1.081 156 H CA 1.614 57.659 56.048 -0.004 0.000 1.334 156 H CB 0.235 30.060 29.762 0.105 0.000 1.385 156 H HN 0.312 8.592 8.280 0.000 0.000 0.504 157 A N 1.495 124.191 122.820 -0.208 0.000 1.978 157 A HA -0.107 4.215 4.320 0.005 0.000 0.220 157 A C 2.728 180.213 177.584 -0.165 0.000 1.170 157 A CA 1.174 53.071 52.037 -0.233 0.000 0.636 157 A CB -0.807 18.143 19.000 -0.082 0.000 0.810 157 A HN 0.467 8.617 8.150 0.000 0.000 0.448 158 L N -0.505 120.655 121.223 -0.105 0.000 2.201 158 L HA -0.102 4.241 4.340 0.005 0.000 0.212 158 L C 2.471 179.315 176.870 -0.044 0.000 1.105 158 L CA 1.714 56.522 54.840 -0.054 0.000 0.775 158 L CB -0.305 41.742 42.059 -0.021 0.000 0.913 158 L HN 0.679 8.909 8.230 0.000 0.000 0.440 159 T N -5.559 108.952 114.554 -0.072 0.000 3.040 159 T HA 0.293 4.645 4.350 0.005 0.000 0.266 159 T C 1.548 176.203 174.700 -0.074 0.000 1.005 159 T CA 0.372 62.454 62.100 -0.029 0.000 0.906 159 T CB 0.582 69.464 68.868 0.022 0.000 1.082 159 T HN 0.134 8.374 8.240 0.000 0.000 0.531 160 A N 1.363 124.077 122.820 -0.176 0.000 1.929 160 A HA 0.154 4.477 4.320 0.005 0.000 0.216 160 A C 1.711 179.251 177.584 -0.073 0.000 1.176 160 A CA 0.697 52.635 52.037 -0.165 0.000 0.628 160 A CB -0.385 18.397 19.000 -0.363 0.000 0.816 160 A HN 0.556 8.706 8.150 0.000 0.000 0.444 161 Q N -0.437 119.322 119.800 -0.069 0.000 2.901 161 Q HA 0.468 4.811 4.340 0.005 0.000 0.265 161 Q C 0.025 176.011 176.000 -0.023 0.000 1.263 161 Q CA 0.331 56.111 55.803 -0.038 0.000 1.088 161 Q CB -0.311 28.404 28.738 -0.038 0.000 1.339 161 Q HN 0.769 9.039 8.270 0.000 0.000 0.546 162 G N 0.186 108.978 108.800 -0.013 0.000 2.316 162 G HA2 -0.107 3.855 3.960 0.005 0.000 0.349 162 G HA3 -0.107 3.855 3.960 0.005 0.000 0.349 162 G C -1.027 173.878 174.900 0.008 0.000 1.274 162 G CA -0.841 44.257 45.100 -0.004 0.000 1.018 162 G HN 0.205 8.495 8.290 0.000 0.000 0.486 163 T N 1.291 115.852 114.554 0.012 0.000 2.771 163 T HA 0.696 5.049 4.350 0.005 0.000 0.281 163 T C -0.211 174.513 174.700 0.040 0.000 0.982 163 T CA 0.063 62.181 62.100 0.030 0.000 0.978 163 T CB 1.255 70.139 68.868 0.026 0.000 0.930 163 T HN 0.992 9.232 8.240 0.000 0.000 0.447 164 S N 2.981 118.730 115.700 0.083 0.000 2.647 164 S HA 0.358 4.831 4.470 0.005 0.000 0.300 164 S C -0.221 174.485 174.600 0.176 0.000 1.129 164 S CA -1.269 56.995 58.200 0.106 0.000 1.029 164 S CB 1.359 64.640 63.200 0.135 0.000 1.007 164 S HN 0.821 9.131 8.310 0.000 0.000 0.484 165 E N 1.957 122.248 120.200 0.152 0.000 2.349 165 E HA 0.601 4.954 4.350 0.005 0.000 0.262 165 E C -0.818 175.986 176.600 0.340 0.000 1.088 165 E CA -0.919 55.625 56.400 0.239 0.000 0.899 165 E CB 0.843 30.665 29.700 0.204 0.000 1.044 165 E HN 0.407 8.767 8.360 0.000 0.000 0.420 166 L N 0.997 122.424 121.223 0.340 0.000 2.365 166 L HA 0.486 4.828 4.340 0.005 0.000 0.273 166 L C -0.908 176.082 176.870 0.200 0.000 1.000 166 L CA -0.597 54.365 54.840 0.204 0.000 0.819 166 L CB 1.803 43.843 42.059 -0.031 0.000 1.284 166 L HN 0.650 8.880 8.230 0.000 0.000 0.418 167 R N 2.658 123.120 120.500 -0.063 0.000 2.534 167 R HA 0.640 4.982 4.340 0.005 0.000 0.301 167 R C -1.292 174.853 176.300 -0.258 0.000 0.961 167 R CA -0.407 55.547 56.100 -0.243 0.000 0.871 167 R CB 1.743 31.517 30.300 -0.877 0.000 1.170 167 R HN 0.775 9.045 8.270 0.000 0.000 0.446 168 T N 3.355 117.829 114.554 -0.134 0.000 2.758 168 T HA 0.267 4.619 4.350 0.005 0.000 0.285 168 T C -1.014 173.503 174.700 -0.305 0.000 0.981 168 T CA -0.560 61.386 62.100 -0.256 0.000 0.965 168 T CB 0.971 69.643 68.868 -0.327 0.000 0.927 168 T HN 0.433 8.673 8.240 0.000 0.000 0.448 169 D N 3.306 123.503 120.400 -0.339 0.000 2.308 169 D HA 0.501 5.143 4.640 0.005 0.000 0.242 169 D C -0.524 175.553 176.300 -0.372 0.000 1.059 169 D CA -0.298 53.529 54.000 -0.287 0.000 0.830 169 D CB 2.009 42.651 40.800 -0.262 0.000 1.161 169 D HN 0.328 8.698 8.370 0.000 0.000 0.494 170 L N 1.574 122.559 121.223 -0.396 0.000 2.381 170 L HA 0.576 4.919 4.340 0.005 0.000 0.268 170 L C -0.771 175.873 176.870 -0.378 0.000 0.997 170 L CA -1.018 53.492 54.840 -0.549 0.000 0.818 170 L CB 2.547 43.990 42.059 -1.028 0.000 1.310 170 L HN 0.009 8.239 8.230 0.000 0.000 0.416 171 V N 0.701 120.425 119.914 -0.317 0.000 2.577 171 V HA 0.300 4.422 4.120 0.005 0.000 0.303 171 V C -0.688 175.370 176.094 -0.059 0.000 1.042 171 V CA -0.846 61.258 62.300 -0.327 0.000 0.872 171 V CB 1.870 33.300 31.823 -0.655 0.000 0.998 171 V HN 0.841 9.031 8.190 0.000 0.000 0.423 172 D N 2.730 123.136 120.400 0.009 0.000 2.478 172 D HA 0.258 4.900 4.640 0.005 0.000 0.274 172 D C 0.538 176.776 176.300 -0.103 0.000 1.234 172 D CA -0.440 53.568 54.000 0.014 0.000 1.069 172 D CB 0.602 41.366 40.800 -0.060 0.000 1.113 172 D HN 0.271 8.641 8.370 0.000 0.000 0.571 173 F N -0.938 119.117 119.950 0.176 0.000 2.789 173 F HA 0.140 4.677 4.527 0.018 0.000 0.300 173 F C 1.563 177.411 175.800 0.080 0.000 1.132 173 F CA 0.171 58.235 58.000 0.106 0.000 1.404 173 F CB 0.166 39.213 39.000 0.079 0.000 1.114 173 F HN 0.288 8.588 8.300 0.000 0.000 0.584 174 E N -0.361 119.952 120.200 0.189 0.000 2.465 174 E HA -0.005 4.348 4.350 0.005 0.000 0.195 174 E C -0.210 176.440 176.600 0.084 0.000 1.028 174 E CA 0.249 56.721 56.400 0.121 0.000 0.899 174 E CB -0.057 29.698 29.700 0.090 0.000 1.032 174 E HN 0.269 8.629 8.360 0.000 0.000 0.468 175 D N 1.273 121.702 120.400 0.048 0.000 2.981 175 D HA -0.123 4.520 4.640 0.005 0.000 0.223 175 D C -0.653 175.721 176.300 0.124 0.000 1.151 175 D CA 0.348 54.375 54.000 0.044 0.000 0.827 175 D CB -0.775 40.101 40.800 0.126 0.000 1.101 175 D HN 0.102 8.472 8.370 0.000 0.000 0.426 176 N N 0.521 119.259 118.700 0.064 0.000 2.497 176 N HA 0.186 4.929 4.740 0.005 0.000 0.271 176 N C -0.609 174.952 175.510 0.084 0.000 1.142 176 N CA 0.370 53.492 53.050 0.121 0.000 0.965 176 N CB 0.440 38.956 38.487 0.049 0.000 1.077 176 N HN 0.243 8.623 8.380 0.000 0.000 0.462 177 Y N 1.144 121.448 120.300 0.007 0.000 2.330 177 Y HA 0.266 4.819 4.550 0.005 0.000 0.336 177 Y C 0.613 176.524 175.900 0.018 0.000 1.036 177 Y CA -0.604 57.494 58.100 -0.004 0.000 1.125 177 Y CB 1.383 39.833 38.460 -0.017 0.000 1.194 177 Y HN 0.251 8.531 8.280 0.000 0.000 0.469 178 Q N 3.258 123.108 119.800 0.082 0.000 2.484 178 Q HA 0.644 4.986 4.340 0.005 0.000 0.285 178 Q C -1.451 174.567 176.000 0.030 0.000 1.097 178 Q CA -1.084 54.745 55.803 0.042 0.000 0.802 178 Q CB 3.105 31.803 28.738 -0.066 0.000 1.444 178 Q HN 0.621 8.891 8.270 0.000 0.000 0.429 179 F N -1.483 118.358 119.950 -0.181 0.000 2.685 179 F HA 0.944 5.473 4.527 0.003 0.000 0.315 179 F C -1.920 173.779 175.800 -0.169 0.000 1.126 179 F CA -1.192 56.666 58.000 -0.237 0.000 0.950 179 F CB 1.172 40.061 39.000 -0.185 0.000 1.360 179 F HN 0.574 8.874 8.300 0.000 0.000 0.469 180 A N 2.003 124.730 122.820 -0.155 0.000 2.517 180 A HA 0.696 5.018 4.320 0.005 0.000 0.297 180 A C -1.753 175.927 177.584 0.159 0.000 1.050 180 A CA -0.830 51.194 52.037 -0.021 0.000 0.694 180 A CB 1.866 21.054 19.000 0.313 0.000 1.277 180 A HN 0.978 9.128 8.150 0.000 0.000 0.400 181 K N 1.232 121.602 120.400 -0.050 0.000 2.318 181 K HA 0.742 5.064 4.320 0.005 0.000 0.249 181 K C -2.019 174.428 176.600 -0.256 0.000 0.942 181 K CA -0.496 55.799 56.287 0.013 0.000 0.808 181 K CB 1.466 34.013 32.500 0.079 0.000 1.189 181 K HN 0.678 8.928 8.250 0.000 0.000 0.428 182 Y N 1.764 122.157 120.300 0.155 0.000 2.442 182 Y HA 0.317 4.870 4.550 0.004 0.000 0.344 182 Y C 1.102 177.100 175.900 0.162 0.000 0.976 182 Y CA -0.933 57.283 58.100 0.193 0.000 1.040 182 Y CB 1.917 40.549 38.460 0.288 0.000 1.228 182 Y HN 0.569 8.849 8.280 0.000 0.000 0.451 183 R N 1.021 121.673 120.500 0.254 0.000 2.112 183 R HA -0.126 4.217 4.340 0.005 0.000 0.242 183 R C 0.228 176.641 176.300 0.189 0.000 1.137 183 R CA 1.824 58.026 56.100 0.171 0.000 0.944 183 R CB -0.259 30.123 30.300 0.137 0.000 0.857 183 R HN 0.700 8.970 8.270 0.000 0.000 0.435 184 S N -1.752 114.086 115.700 0.229 0.000 2.638 184 S HA 0.625 5.098 4.470 0.005 0.000 0.274 184 S C -1.129 173.642 174.600 0.285 0.000 1.157 184 S CA -1.008 57.322 58.200 0.216 0.000 0.826 184 S CB 2.379 65.658 63.200 0.131 0.000 1.139 184 S HN 0.209 8.519 8.310 0.000 0.000 0.474 185 F N 0.475 120.460 119.950 0.060 0.000 2.639 185 F HA 0.720 5.250 4.527 0.005 0.000 0.326 185 F C -1.298 174.491 175.800 -0.017 0.000 1.150 185 F CA -0.247 57.759 58.000 0.010 0.000 1.057 185 F CB 1.310 40.343 39.000 0.055 0.000 1.300 185 F HN 0.974 9.274 8.300 0.000 0.000 0.486 186 K N 5.607 125.584 120.400 -0.705 0.000 2.543 186 K HA 0.693 5.016 4.320 0.005 0.000 0.255 186 K C -2.073 174.176 176.600 -0.586 0.000 0.934 186 K CA -0.861 55.156 56.287 -0.450 0.000 0.810 186 K CB 2.244 34.641 32.500 -0.171 0.000 1.315 186 K HN 0.622 8.872 8.250 0.000 0.000 0.433 187 V N 1.486 121.194 119.914 -0.343 0.000 2.604 187 V HA 0.907 5.030 4.120 0.005 0.000 0.305 187 V C -0.217 175.950 176.094 0.122 0.000 1.043 187 V CA -0.351 61.870 62.300 -0.131 0.000 0.888 187 V CB 1.248 33.049 31.823 -0.036 0.000 0.995 187 V HN 0.939 9.129 8.190 0.000 0.000 0.429 188 A N 4.235 127.098 122.820 0.072 0.000 2.310 188 A HA 0.559 4.882 4.320 0.005 0.000 0.260 188 A C 0.364 177.753 177.584 -0.325 0.000 1.112 188 A CA 0.213 52.226 52.037 -0.040 0.000 0.804 188 A CB -0.052 18.921 19.000 -0.045 0.000 1.081 188 A HN 1.233 9.383 8.150 0.000 0.000 0.499 189 D N -0.840 119.135 120.400 -0.709 0.000 2.380 189 D HA -0.005 4.638 4.640 0.005 0.000 0.254 189 D C 0.805 176.760 176.300 -0.575 0.000 1.288 189 D CA 0.171 53.742 54.000 -0.715 0.000 1.008 189 D CB 0.088 40.568 40.800 -0.534 0.000 1.099 189 D HN 0.686 9.056 8.370 0.000 0.000 0.537 190 E N -0.754 119.094 120.200 -0.586 0.000 2.150 190 E HA -0.163 4.190 4.350 0.005 0.000 0.193 190 E C 1.932 178.355 176.600 -0.296 0.000 0.985 190 E CA 0.924 56.869 56.400 -0.759 0.000 0.814 190 E CB -0.247 29.311 29.700 -0.236 0.000 0.752 190 E HN 0.520 8.880 8.360 0.000 0.000 0.466 191 A N 1.266 123.976 122.820 -0.184 0.000 1.940 191 A HA -0.162 4.161 4.320 0.005 0.000 0.219 191 A C 1.686 179.215 177.584 -0.092 0.000 1.176 191 A CA 1.380 53.359 52.037 -0.097 0.000 0.631 191 A CB -0.224 18.735 19.000 -0.069 0.000 0.814 191 A HN 0.208 8.358 8.150 0.000 0.000 0.446 192 E N -0.219 119.905 120.200 -0.127 0.000 2.403 192 E HA 0.094 4.447 4.350 0.005 0.000 0.188 192 E C -0.440 176.142 176.600 -0.030 0.000 1.056 192 E CA -0.025 56.334 56.400 -0.068 0.000 0.892 192 E CB -0.177 29.488 29.700 -0.059 0.000 1.049 192 E HN 0.607 8.967 8.360 0.000 0.000 0.465 193 K N 0.422 120.782 120.400 -0.068 0.000 3.077 193 K HA -0.228 4.094 4.320 0.005 0.000 0.264 193 K C -0.869 175.876 176.600 0.242 0.000 1.008 193 K CA 0.411 56.771 56.287 0.122 0.000 0.740 193 K CB -2.101 30.527 32.500 0.212 0.000 1.273 193 K HN 0.236 8.486 8.250 0.000 0.000 0.477 194 Y N -1.882 118.549 120.300 0.218 0.000 3.225 194 Y HA -0.335 4.218 4.550 0.005 0.000 0.211 194 Y C 0.879 176.964 175.900 0.309 0.000 1.223 194 Y CA 0.929 59.135 58.100 0.177 0.000 1.284 194 Y CB -2.252 36.267 38.460 0.098 0.000 1.367 194 Y HN 0.513 8.793 8.280 0.000 0.000 0.566 195 N N 0.770 119.641 118.700 0.284 0.000 2.356 195 N HA 0.086 4.829 4.740 0.005 0.000 0.252 195 N C -0.054 175.498 175.510 0.071 0.000 1.241 195 N CA -0.221 52.960 53.050 0.219 0.000 0.861 195 N CB 0.461 39.006 38.487 0.098 0.000 1.075 195 N HN 0.390 8.770 8.380 0.000 0.000 0.461 196 L N 4.877 126.045 121.223 -0.093 0.000 2.281 196 L HA 0.269 4.612 4.340 0.005 0.000 0.285 196 L C -0.916 175.764 176.870 -0.317 0.000 1.074 196 L CA -0.382 54.164 54.840 -0.489 0.000 0.817 196 L CB 1.135 42.571 42.059 -1.038 0.000 1.168 196 L HN 0.244 8.474 8.230 0.000 0.000 0.434 197 V N 6.970 126.680 119.914 -0.339 0.000 2.294 197 V HA 0.345 4.468 4.120 0.005 0.000 0.272 197 V C -0.257 175.708 176.094 -0.214 0.000 1.027 197 V CA -0.470 61.705 62.300 -0.208 0.000 0.823 197 V CB 0.898 32.636 31.823 -0.141 0.000 1.030 197 V HN 0.613 8.803 8.190 0.000 0.000 0.457 198 L N 4.934 126.076 121.223 -0.134 0.000 2.296 198 L HA 0.872 5.215 4.340 0.005 0.000 0.286 198 L C 0.748 177.662 176.870 0.073 0.000 1.023 198 L CA 0.393 55.208 54.840 -0.041 0.000 0.812 198 L CB 1.405 43.421 42.059 -0.072 0.000 1.223 198 L HN 0.611 8.841 8.230 0.000 0.000 0.421 199 G N 3.068 111.957 108.800 0.148 0.000 2.621 199 G HA2 0.514 4.477 3.960 0.005 0.000 0.271 199 G HA3 0.514 4.477 3.960 0.005 0.000 0.271 199 G C -0.418 174.650 174.900 0.280 0.000 1.236 199 G CA -0.285 44.923 45.100 0.180 0.000 0.958 199 G HN 1.033 9.323 8.290 0.000 0.000 0.512 200 A N -0.765 122.191 122.820 0.227 0.000 2.561 200 A HA 0.318 4.641 4.320 0.005 0.000 0.234 200 A C -0.048 177.721 177.584 0.310 0.000 1.055 200 A CA -0.177 52.008 52.037 0.246 0.000 0.756 200 A CB -0.150 18.940 19.000 0.150 0.000 0.986 200 A HN 0.759 8.909 8.150 0.000 0.000 0.505 201 F N 3.218 123.241 119.950 0.123 0.000 2.543 201 F HA 0.297 4.826 4.527 0.004 0.000 0.375 201 F C 0.986 176.717 175.800 -0.114 0.000 1.075 201 F CA 0.124 58.029 58.000 -0.158 0.000 1.225 201 F CB 0.687 39.605 39.000 -0.136 0.000 1.099 201 F HN 0.235 8.535 8.300 0.000 0.000 0.561 202 V N 4.207 123.648 119.914 -0.788 0.000 2.436 202 V HA 0.093 4.216 4.120 0.005 0.000 0.240 202 V C 0.105 175.719 176.094 -0.799 0.000 1.040 202 V CA 1.411 63.376 62.300 -0.558 0.000 1.052 202 V CB -0.366 31.291 31.823 -0.275 0.000 0.707 202 V HN 0.860 9.050 8.190 0.000 0.000 0.469 203 E N -1.435 118.034 120.200 -1.218 0.000 2.411 203 E HA 0.514 4.867 4.350 0.005 0.000 0.279 203 E C -0.738 175.440 176.600 -0.704 0.000 1.132 203 E CA -0.280 55.649 56.400 -0.786 0.000 0.876 203 E CB 1.429 30.989 29.700 -0.232 0.000 1.335 203 E HN 0.430 8.790 8.360 0.000 0.000 0.436 204 G N 0.174 108.659 108.800 -0.526 0.000 2.226 204 G HA2 0.217 4.180 3.960 0.005 0.000 0.257 204 G HA3 0.217 4.180 3.960 0.005 0.000 0.257 204 G C 0.157 174.721 174.900 -0.559 0.000 1.732 204 G CA -0.115 44.300 45.100 -1.141 0.000 0.914 204 G HN 0.935 9.225 8.290 0.000 0.000 0.742 205 S N 0.043 115.363 115.700 -0.634 0.000 2.537 205 S HA 0.148 4.621 4.470 0.005 0.000 0.240 205 S C 2.192 176.718 174.600 -0.122 0.000 0.981 205 S CA 1.756 59.837 58.200 -0.198 0.000 0.948 205 S CB 0.225 63.394 63.200 -0.050 0.000 0.759 205 S HN 1.835 10.145 8.310 0.000 0.000 0.531 206 A N 1.189 123.894 122.820 -0.192 0.000 2.081 206 A HA 0.578 4.901 4.320 0.005 0.000 0.214 206 A C 1.402 179.123 177.584 0.228 0.000 1.158 206 A CA 0.476 52.469 52.037 -0.074 0.000 0.724 206 A CB -0.937 17.797 19.000 -0.443 0.000 0.826 206 A HN 1.631 9.781 8.150 0.000 0.000 0.463 207 G N -0.579 108.332 108.800 0.185 0.000 2.730 207 G HA2 -0.063 3.900 3.960 0.005 0.000 0.686 207 G HA3 -0.063 3.900 3.960 0.005 0.000 0.686 207 G C -0.878 174.081 174.900 0.099 0.000 1.343 207 G CA -0.121 45.048 45.100 0.116 0.000 0.826 207 G HN 0.347 8.637 8.290 0.000 0.000 0.582 208 D N -0.056 120.065 120.400 -0.466 0.000 2.338 208 D HA 0.513 5.155 4.640 0.005 0.000 0.255 208 D C 0.621 176.764 176.300 -0.262 0.000 1.237 208 D CA 0.404 54.098 54.000 -0.510 0.000 0.883 208 D CB 0.574 40.898 40.800 -0.794 0.000 1.087 208 D HN 0.367 8.737 8.370 0.000 0.000 0.485 209 S N 3.612 119.076 115.700 -0.393 0.000 2.794 209 S HA 0.175 4.648 4.470 0.005 0.000 0.244 209 S C 0.406 174.685 174.600 -0.534 0.000 1.045 209 S CA -0.428 57.282 58.200 -0.817 0.000 1.114 209 S CB 0.443 62.545 63.200 -1.831 0.000 1.085 209 S HN 0.466 8.776 8.310 0.000 0.000 0.488 210 L N -0.113 121.095 121.223 -0.025 0.000 2.718 210 L HA 0.281 4.624 4.340 0.005 0.000 0.247 210 L C 1.949 178.939 176.870 0.201 0.000 1.028 210 L CA 1.141 56.067 54.840 0.144 0.000 1.031 210 L CB -0.660 41.363 42.059 -0.061 0.000 1.910 210 L HN 0.207 8.437 8.230 0.000 0.000 0.526 211 T N 0.407 115.086 114.554 0.208 0.000 2.680 211 T HA -0.296 4.057 4.350 0.005 0.000 0.268 211 T C 1.624 176.426 174.700 0.171 0.000 1.033 211 T CA 2.527 64.746 62.100 0.198 0.000 1.152 211 T CB -0.587 68.413 68.868 0.220 0.000 0.859 211 T HN 0.356 8.596 8.240 0.000 0.000 0.452 212 F N 1.702 121.665 119.950 0.022 0.000 2.115 212 F HA -0.258 4.273 4.527 0.006 0.000 0.300 212 F C 2.245 177.989 175.800 -0.092 0.000 1.092 212 F CA 1.717 59.676 58.000 -0.070 0.000 1.245 212 F CB -0.317 38.590 39.000 -0.155 0.000 0.995 212 F HN 0.376 8.676 8.300 0.000 0.000 0.481 213 H N -0.701 118.555 119.070 0.311 0.000 2.539 213 H HA 0.053 4.612 4.556 0.005 0.000 0.267 213 H C 0.354 175.707 175.328 0.043 0.000 0.982 213 H CA 0.117 56.316 56.048 0.251 0.000 1.146 213 H CB -0.722 29.275 29.762 0.392 0.000 1.382 213 H HN 0.168 8.448 8.280 0.000 0.000 0.577 214 N N 2.113 120.851 118.700 0.065 0.000 2.412 214 N HA -0.156 4.587 4.740 0.005 0.000 0.258 214 N C 0.482 175.975 175.510 -0.028 0.000 1.236 214 N CA 0.528 53.564 53.050 -0.024 0.000 0.882 214 N CB 0.106 38.589 38.487 -0.007 0.000 1.066 214 N HN 0.195 8.575 8.380 0.000 0.000 0.465 215 N N 0.661 119.331 118.700 -0.050 0.000 2.776 215 N HA -0.192 4.550 4.740 0.005 0.000 0.249 215 N C -1.451 174.087 175.510 0.046 0.000 1.111 215 N CA 0.678 53.721 53.050 -0.013 0.000 0.711 215 N CB -0.762 37.716 38.487 -0.015 0.000 1.065 215 N HN 0.591 8.971 8.380 0.000 0.000 0.556 216 Q N -0.225 119.640 119.800 0.109 0.000 2.257 216 Q HA 0.523 4.866 4.340 0.005 0.000 0.262 216 Q C -0.008 176.204 176.000 0.353 0.000 0.997 216 Q CA -0.417 55.521 55.803 0.224 0.000 0.873 216 Q CB 1.680 30.607 28.738 0.315 0.000 1.312 216 Q HN 0.268 8.538 8.270 0.000 0.000 0.450 217 S N 0.718 116.617 115.700 0.331 0.000 2.614 217 S HA 0.341 4.814 4.470 0.005 0.000 0.265 217 S C -0.299 174.606 174.600 0.510 0.000 1.303 217 S CA -0.438 58.004 58.200 0.403 0.000 1.000 217 S CB 0.267 63.633 63.200 0.277 0.000 0.935 217 S HN 0.445 8.755 8.310 0.000 0.000 0.551 218 F N 1.715 121.876 119.950 0.352 0.000 2.412 218 F HA 0.329 4.858 4.527 0.004 0.000 0.348 218 F C 0.288 176.267 175.800 0.298 0.000 1.102 218 F CA 0.112 58.140 58.000 0.046 0.000 1.196 218 F CB 0.572 39.520 39.000 -0.086 0.000 1.144 218 F HN 0.366 8.666 8.300 0.000 0.000 0.541 219 S N 2.863 118.403 115.700 -0.267 0.000 2.513 219 S HA 0.599 5.072 4.470 0.005 0.000 0.299 219 S C -0.378 174.139 174.600 -0.137 0.000 1.087 219 S CA -0.786 57.433 58.200 0.031 0.000 1.012 219 S CB 1.794 65.098 63.200 0.174 0.000 1.044 219 S HN 0.755 9.065 8.310 0.000 0.000 0.485 220 T N -1.279 113.338 114.554 0.106 0.000 2.883 220 T HA 0.450 4.803 4.350 0.005 0.000 0.284 220 T C 1.105 175.846 174.700 0.069 0.000 1.041 220 T CA -1.086 61.043 62.100 0.049 0.000 1.007 220 T CB 1.000 69.965 68.868 0.163 0.000 1.220 220 T HN 0.585 8.825 8.240 0.000 0.000 0.552 221 K N 0.436 120.854 120.400 0.031 0.000 2.147 221 K HA -0.145 4.178 4.320 0.005 0.000 0.205 221 K C 1.122 177.711 176.600 -0.017 0.000 1.049 221 K CA 1.921 58.204 56.287 -0.006 0.000 0.936 221 K CB -0.390 32.010 32.500 -0.166 0.000 0.722 221 K HN 0.731 8.981 8.250 0.000 0.000 0.446 222 D N 0.150 120.551 120.400 0.003 0.000 2.369 222 D HA -0.072 4.571 4.640 0.005 0.000 0.211 222 D C 0.037 176.332 176.300 -0.008 0.000 1.077 222 D CA 0.042 54.042 54.000 -0.001 0.000 0.842 222 D CB 0.271 41.079 40.800 0.014 0.000 0.947 222 D HN 0.370 8.740 8.370 0.000 0.000 0.509 223 Q N 0.846 120.652 119.800 0.009 0.000 2.350 223 Q HA 0.200 4.542 4.340 0.005 0.000 0.255 223 Q C -1.983 173.985 176.000 -0.053 0.000 0.951 223 Q CA -0.651 55.091 55.803 -0.103 0.000 0.751 223 Q CB 1.513 30.046 28.738 -0.341 0.000 1.296 223 Q HN -0.135 8.135 8.270 0.000 0.000 0.453 224 D N 3.035 123.400 120.400 -0.058 0.000 2.359 224 D HA 0.228 4.871 4.640 0.005 0.000 0.230 224 D C -0.518 175.775 176.300 -0.011 0.000 1.118 224 D CA -0.181 53.812 54.000 -0.012 0.000 0.844 224 D CB 0.828 41.619 40.800 -0.014 0.000 1.059 224 D HN 0.566 8.936 8.370 0.000 0.000 0.493 225 N N 3.217 121.942 118.700 0.041 0.000 2.291 225 N HA 0.076 4.819 4.740 0.005 0.000 0.244 225 N C -0.464 175.114 175.510 0.115 0.000 1.216 225 N CA -0.312 52.774 53.050 0.059 0.000 0.879 225 N CB 0.654 39.183 38.487 0.071 0.000 1.167 225 N HN 0.545 8.925 8.380 0.000 0.000 0.515 226 D N -0.424 120.052 120.400 0.126 0.000 2.440 226 D HA 0.151 4.794 4.640 0.005 0.000 0.269 226 D C 0.868 177.239 176.300 0.119 0.000 1.249 226 D CA -0.410 53.693 54.000 0.171 0.000 1.055 226 D CB 0.811 41.739 40.800 0.213 0.000 1.104 226 D HN -0.102 8.268 8.370 0.000 0.000 0.561 227 L N -0.779 120.520 121.223 0.127 0.000 2.965 227 L HA 0.240 4.582 4.340 0.005 0.000 0.254 227 L C 0.528 177.446 176.870 0.079 0.000 1.220 227 L CA -0.348 54.542 54.840 0.083 0.000 1.023 227 L CB -0.606 41.490 42.059 0.063 0.000 1.355 227 L HN 0.426 8.656 8.230 0.000 0.000 0.545 228 N N 0.400 119.153 118.700 0.088 0.000 2.456 228 N HA 0.065 4.807 4.740 0.005 0.000 0.288 228 N C 1.191 176.727 175.510 0.043 0.000 1.059 228 N CA 0.161 53.256 53.050 0.075 0.000 0.946 228 N CB 1.995 40.538 38.487 0.094 0.000 1.150 228 N HN 0.065 8.445 8.380 0.000 0.000 0.479 229 T N -0.047 114.527 114.554 0.032 0.000 2.897 229 T HA 0.002 4.355 4.350 0.005 0.000 0.271 229 T C 1.117 175.820 174.700 0.005 0.000 1.084 229 T CA 0.772 62.882 62.100 0.016 0.000 1.123 229 T CB -0.153 68.722 68.868 0.012 0.000 0.865 229 T HN 0.496 8.736 8.240 0.000 0.000 0.496 230 G N 0.515 109.317 108.800 0.003 0.000 2.702 230 G HA2 0.456 4.419 3.960 0.005 0.000 0.254 230 G HA3 0.456 4.419 3.960 0.005 0.000 0.254 230 G C -1.007 173.879 174.900 -0.023 0.000 1.380 230 G CA -1.153 43.936 45.100 -0.017 0.000 1.042 230 G HN 0.458 8.748 8.290 0.000 0.000 0.557 231 N N -0.873 117.796 118.700 -0.051 0.000 2.546 231 N HA 0.190 4.932 4.740 0.005 0.000 0.238 231 N C 1.109 176.541 175.510 -0.131 0.000 0.984 231 N CA -0.797 52.213 53.050 -0.066 0.000 0.935 231 N CB 0.750 39.208 38.487 -0.049 0.000 1.122 231 N HN 0.310 8.690 8.380 0.000 0.000 0.510 232 c N 2.595 121.092 118.600 -0.172 0.000 2.413 232 c HA -0.170 4.402 4.570 0.005 0.000 0.276 232 c C 2.760 176.531 174.090 -0.531 0.000 1.236 232 c CA 1.216 57.347 56.329 -0.329 0.000 1.735 232 c CB -1.350 40.803 42.510 -0.596 0.000 2.031 232 c HN 0.919 9.149 8.230 0.000 0.000 0.474 233 A N 0.380 122.906 122.820 -0.489 0.000 1.883 233 A HA -0.144 4.179 4.320 0.005 0.000 0.217 233 A C 2.303 179.914 177.584 0.044 0.000 1.186 233 A CA 2.501 54.466 52.037 -0.120 0.000 0.624 233 A CB -0.831 18.220 19.000 0.083 0.000 0.822 233 A HN 0.385 8.535 8.150 0.000 0.000 0.444 234 V N -0.252 119.672 119.914 0.017 0.000 2.307 234 V HA -0.302 3.821 4.120 0.005 0.000 0.245 234 V C 2.650 178.670 176.094 -0.124 0.000 1.045 234 V CA 2.175 64.512 62.300 0.061 0.000 1.024 234 V CB -0.734 31.109 31.823 0.034 0.000 0.651 234 V HN 0.561 8.751 8.190 0.000 0.000 0.449 235 M N -0.995 118.443 119.600 -0.270 0.000 2.108 235 M HA -0.164 4.319 4.480 0.005 0.000 0.261 235 M C 1.554 177.422 176.300 -0.721 0.000 1.066 235 M CA 2.156 57.118 55.300 -0.564 0.000 1.107 235 M CB -0.243 31.856 32.600 -0.836 0.000 1.356 235 M HN 0.351 8.641 8.290 0.000 0.000 0.406 236 F N -0.419 119.466 119.950 -0.107 0.000 2.639 236 F HA 0.226 4.755 4.527 0.003 0.000 0.302 236 F C 0.397 176.129 175.800 -0.113 0.000 1.097 236 F CA -0.358 57.596 58.000 -0.076 0.000 1.294 236 F CB -0.313 38.709 39.000 0.036 0.000 1.027 236 F HN 0.114 8.414 8.300 0.000 0.000 0.550 237 Q N 0.686 120.427 119.800 -0.097 0.000 2.439 237 Q HA -0.167 4.175 4.340 0.005 0.000 0.325 237 Q C 0.521 176.447 176.000 -0.123 0.000 1.372 237 Q CA 0.586 56.180 55.803 -0.349 0.000 0.909 237 Q CB -1.346 27.119 28.738 -0.456 0.000 1.167 237 Q HN 0.680 8.950 8.270 0.000 0.000 0.418 238 G N -1.103 107.787 108.800 0.151 0.000 2.896 238 G HA2 0.899 4.862 3.960 0.005 0.000 0.247 238 G HA3 0.899 4.862 3.960 0.005 0.000 0.247 238 G C -1.730 173.344 174.900 0.290 0.000 1.187 238 G CA -0.079 45.166 45.100 0.242 0.000 0.837 238 G HN 0.675 8.965 8.290 0.000 0.000 0.559 239 A N -1.329 121.552 122.820 0.101 0.000 2.532 239 A HA 0.702 5.025 4.320 0.005 0.000 0.296 239 A C -1.588 175.650 177.584 -0.577 0.000 1.058 239 A CA -0.273 51.576 52.037 -0.313 0.000 0.729 239 A CB 0.725 19.222 19.000 -0.838 0.000 1.285 239 A HN 1.317 9.467 8.150 0.000 0.000 0.396 240 W N 1.999 122.357 121.300 -1.570 0.000 2.900 240 W HA 0.295 4.959 4.660 0.008 0.000 0.382 240 W C -1.332 174.435 176.519 -1.253 0.000 1.108 240 W CA -0.661 55.795 57.345 -1.482 0.000 1.132 240 W CB 0.718 29.278 29.460 -1.500 0.000 1.474 240 W HN 0.755 8.935 8.180 0.000 0.000 0.566 241 W N 3.726 124.669 121.300 -0.594 0.000 1.694 241 W HA 0.161 4.823 4.660 0.004 0.000 0.425 241 W C -0.576 176.108 176.519 0.276 0.000 0.615 241 W CA -0.372 56.910 57.345 -0.104 0.000 2.237 241 W CB -1.091 28.322 29.460 -0.078 0.000 1.478 241 W HN 0.038 8.218 8.180 0.000 0.000 0.427 242 Y N 1.515 122.118 120.300 0.504 0.000 2.810 242 Y HA -0.146 4.406 4.550 0.003 0.000 0.332 242 Y C 1.549 177.709 175.900 0.434 0.000 1.243 242 Y CA 1.047 59.490 58.100 0.571 0.000 1.537 242 Y CB 0.651 39.320 38.460 0.349 0.000 1.265 242 Y HN 0.132 8.412 8.280 0.000 0.000 0.572 243 K N 1.877 122.633 120.400 0.592 0.000 2.530 243 K HA 0.132 4.455 4.320 0.005 0.000 0.218 243 K C 0.039 176.813 176.600 0.290 0.000 1.064 243 K CA 0.265 56.727 56.287 0.291 0.000 1.084 243 K CB 0.276 32.760 32.500 -0.027 0.000 1.392 243 K HN 0.776 9.026 8.250 0.000 0.000 0.465 244 N N -0.107 118.784 118.700 0.319 0.000 2.666 244 N HA 0.151 4.893 4.740 0.005 0.000 0.253 244 N C -0.625 175.040 175.510 0.257 0.000 1.621 244 N CA -0.494 52.707 53.050 0.251 0.000 0.785 244 N CB 0.561 39.139 38.487 0.151 0.000 1.332 244 N HN 0.233 8.613 8.380 0.000 0.000 0.514 245 c N 0.018 118.752 118.600 0.223 0.000 2.426 245 c HA 0.296 4.869 4.570 0.005 0.000 0.318 245 c C 0.326 174.709 174.090 0.488 0.000 1.451 245 c CA 0.245 56.765 56.329 0.318 0.000 2.090 245 c CB -0.326 42.382 42.510 0.330 0.000 2.151 245 c HN 0.741 8.971 8.230 0.000 0.000 0.608 246 H N -1.978 117.132 119.070 0.067 0.000 3.037 246 H HA 0.259 4.817 4.556 0.004 0.000 0.355 246 H C -0.726 174.437 175.328 -0.275 0.000 1.263 246 H CA -0.036 56.091 56.048 0.131 0.000 1.129 246 H CB 1.394 31.323 29.762 0.279 0.000 1.861 246 H HN -0.095 8.185 8.280 0.000 0.000 0.546 247 T N 1.105 115.629 114.554 -0.049 0.000 2.975 247 T HA 0.178 4.531 4.350 0.005 0.000 0.261 247 T C -0.176 174.530 174.700 0.010 0.000 0.984 247 T CA 0.630 62.587 62.100 -0.238 0.000 0.911 247 T CB -0.114 68.312 68.868 -0.736 0.000 1.127 247 T HN 0.722 8.962 8.240 0.000 0.000 0.514 248 S N 0.938 116.758 115.700 0.200 0.000 2.549 248 S HA 0.705 5.178 4.470 0.005 0.000 0.280 248 S C -0.955 173.082 174.600 -0.939 0.000 1.109 248 S CA -0.811 57.240 58.200 -0.248 0.000 0.905 248 S CB 1.886 64.880 63.200 -0.343 0.000 1.081 248 S HN 0.048 8.358 8.310 0.000 0.000 0.477 249 N N 1.226 119.339 118.700 -0.978 0.000 2.651 249 N HA 0.283 5.026 4.740 0.005 0.000 0.277 249 N C -0.200 174.816 175.510 -0.823 0.000 1.787 249 N CA -0.264 52.031 53.050 -1.258 0.000 0.818 249 N CB 0.129 37.975 38.487 -1.069 0.000 1.316 249 N HN 0.481 8.861 8.380 0.000 0.000 0.503 250 L N 0.094 120.716 121.223 -1.002 0.000 2.456 250 L HA 0.184 4.526 4.340 0.005 0.000 0.224 250 L C 0.874 177.655 176.870 -0.149 0.000 1.148 250 L CA 0.954 55.599 54.840 -0.325 0.000 0.825 250 L CB -0.504 41.566 42.059 0.019 0.000 0.937 250 L HN 0.357 8.587 8.230 0.000 0.000 0.450 251 N N -0.545 118.072 118.700 -0.138 0.000 2.251 251 N HA 0.139 4.882 4.740 0.005 0.000 0.217 251 N C 0.898 176.456 175.510 0.080 0.000 1.124 251 N CA 0.264 53.371 53.050 0.096 0.000 0.843 251 N CB 0.423 39.144 38.487 0.390 0.000 1.024 251 N HN 0.196 8.576 8.380 0.000 0.000 0.501 252 G N 0.096 108.856 108.800 -0.066 0.000 2.570 252 G HA2 0.146 4.108 3.960 0.005 0.000 0.276 252 G HA3 0.146 4.108 3.960 0.005 0.000 0.276 252 G C 0.323 175.227 174.900 0.006 0.000 1.346 252 G CA -0.495 44.581 45.100 -0.039 0.000 1.034 252 G HN 0.086 8.376 8.290 0.000 0.000 0.512 253 R N -1.002 119.477 120.500 -0.035 0.000 2.543 253 R HA 0.013 4.356 4.340 0.005 0.000 0.277 253 R C -0.870 175.442 176.300 0.020 0.000 1.074 253 R CA -0.334 55.767 56.100 0.001 0.000 1.076 253 R CB 0.610 30.866 30.300 -0.074 0.000 0.993 253 R HN 0.519 8.789 8.270 0.000 0.000 0.459 254 Y N 3.466 123.758 120.300 -0.013 0.000 2.530 254 Y HA 0.020 4.569 4.550 -0.002 0.000 0.340 254 Y C 1.016 176.911 175.900 -0.007 0.000 1.247 254 Y CA 0.247 58.354 58.100 0.012 0.000 1.727 254 Y CB -0.284 38.207 38.460 0.052 0.000 1.613 254 Y HN 0.514 8.793 8.280 0.000 0.000 0.464 255 L N 3.206 124.321 121.223 -0.180 0.000 2.529 255 L HA 0.153 4.496 4.340 0.005 0.000 0.223 255 L C 0.554 177.297 176.870 -0.211 0.000 1.113 255 L CA 0.198 54.931 54.840 -0.179 0.000 0.861 255 L CB -0.066 41.791 42.059 -0.336 0.000 1.012 255 L HN 0.502 8.732 8.230 0.000 0.000 0.461 256 R N 0.398 120.704 120.500 -0.323 0.000 2.979 256 R HA -0.106 4.236 4.340 0.005 0.000 0.272 256 R C 0.547 176.376 176.300 -0.785 0.000 0.981 256 R CA 0.112 55.859 56.100 -0.588 0.000 0.653 256 R CB -1.915 28.096 30.300 -0.481 0.000 1.397 256 R HN 0.562 8.832 8.270 0.000 0.000 0.416 257 G N -0.231 108.113 108.800 -0.759 0.000 2.512 257 G HA2 -0.392 3.571 3.960 0.005 0.000 0.254 257 G HA3 -0.392 3.571 3.960 0.005 0.000 0.254 257 G C 0.028 174.311 174.900 -1.028 0.000 1.199 257 G CA 0.134 44.440 45.100 -1.322 0.000 0.941 257 G HN 1.074 9.364 8.290 0.000 0.000 0.569 258 T N -0.569 113.625 114.554 -0.600 0.000 2.916 258 T HA 0.549 4.902 4.350 0.005 0.000 0.303 258 T C 0.126 174.716 174.700 -0.185 0.000 1.025 258 T CA 1.039 62.972 62.100 -0.280 0.000 1.142 258 T CB 0.829 69.651 68.868 -0.077 0.000 0.947 258 T HN 1.964 10.204 8.240 0.000 0.000 0.544 259 H N 0.008 119.018 119.070 -0.100 0.000 2.895 259 H HA 0.684 5.240 4.556 0.001 0.000 0.373 259 H C 0.963 176.291 175.328 0.001 0.000 1.174 259 H CA -0.833 55.175 56.048 -0.066 0.000 1.144 259 H CB 1.219 30.934 29.762 -0.078 0.000 1.793 259 H HN 0.586 8.866 8.280 0.000 0.000 0.551 260 G N 0.830 109.713 108.800 0.139 0.000 2.395 260 G HA2 -0.087 3.876 3.960 0.005 0.000 0.214 260 G HA3 -0.087 3.876 3.960 0.005 0.000 0.214 260 G C 0.248 175.267 174.900 0.199 0.000 1.177 260 G CA 0.327 45.495 45.100 0.114 0.000 0.794 260 G HN 0.889 9.179 8.290 0.000 0.000 0.532 261 S N 0.006 115.844 115.700 0.229 0.000 2.558 261 S HA 0.175 4.647 4.470 0.005 0.000 0.287 261 S C -0.298 174.532 174.600 0.384 0.000 1.321 261 S CA -0.665 57.670 58.200 0.224 0.000 1.048 261 S CB 0.647 63.901 63.200 0.090 0.000 0.844 261 S HN 0.219 8.529 8.310 0.000 0.000 0.512 262 F N 3.196 123.241 119.950 0.158 0.000 2.421 262 F HA 0.485 5.014 4.527 0.003 0.000 0.358 262 F C 1.064 177.034 175.800 0.284 0.000 1.115 262 F CA -0.487 57.626 58.000 0.187 0.000 1.160 262 F CB -0.220 38.843 39.000 0.106 0.000 1.123 262 F HN 1.160 9.460 8.300 0.000 0.000 0.508 263 A N 4.391 127.060 122.820 -0.251 0.000 2.798 263 A HA -0.331 3.992 4.320 0.005 0.000 0.282 263 A C 0.808 178.451 177.584 0.098 0.000 1.464 263 A CA 1.396 53.241 52.037 -0.320 0.000 0.844 263 A CB -2.605 15.524 19.000 -1.451 0.000 1.006 263 A HN 0.955 9.105 8.150 0.000 0.000 0.577 264 N N -0.376 118.385 118.700 0.101 0.000 2.275 264 N HA 0.381 5.124 4.740 0.005 0.000 0.236 264 N C 0.445 175.877 175.510 -0.129 0.000 1.154 264 N CA 0.722 53.800 53.050 0.048 0.000 0.866 264 N CB -0.016 38.470 38.487 -0.002 0.000 1.093 264 N HN 0.752 9.132 8.380 0.000 0.000 0.515 265 G N 0.118 108.827 108.800 -0.152 0.000 2.887 265 G HA2 0.551 4.514 3.960 0.005 0.000 0.277 265 G HA3 0.551 4.514 3.960 0.005 0.000 0.277 265 G C -0.393 174.472 174.900 -0.059 0.000 1.346 265 G CA -0.946 44.035 45.100 -0.199 0.000 1.058 265 G HN 0.187 8.477 8.290 0.000 0.000 0.535 266 I N 2.308 122.861 120.570 -0.027 0.000 2.349 266 I HA 0.099 4.271 4.170 0.005 0.000 0.302 266 I C -0.593 175.640 176.117 0.193 0.000 1.180 266 I CA -0.216 61.100 61.300 0.026 0.000 1.405 266 I CB -0.667 37.349 38.000 0.027 0.000 1.474 266 I HN 0.118 8.328 8.210 0.000 0.000 0.632 267 N N 6.084 124.864 118.700 0.133 0.000 2.321 267 N HA 0.353 5.096 4.740 0.005 0.000 0.299 267 N C -1.360 174.321 175.510 0.285 0.000 1.048 267 N CA -0.535 52.665 53.050 0.251 0.000 0.836 267 N CB 2.473 41.095 38.487 0.224 0.000 1.269 267 N HN 0.523 8.903 8.380 0.000 0.000 0.486 268 W N 3.362 124.766 121.300 0.173 0.000 2.499 268 W HA 0.216 4.878 4.660 0.004 0.000 0.320 268 W C 0.917 177.427 176.519 -0.015 0.000 1.010 268 W CA -0.653 56.737 57.345 0.075 0.000 1.267 268 W CB 1.392 30.908 29.460 0.093 0.000 1.316 268 W HN 0.702 8.882 8.180 0.000 0.000 0.431 269 K N 2.057 122.307 120.400 -0.251 0.000 2.009 269 K HA -0.207 4.115 4.320 0.005 0.000 0.210 269 K C 1.836 178.293 176.600 -0.239 0.000 1.049 269 K CA 2.660 58.688 56.287 -0.433 0.000 0.929 269 K CB -0.200 31.876 32.500 -0.707 0.000 0.714 269 K HN 0.368 8.618 8.250 0.000 0.000 0.440 270 S N -0.559 115.027 115.700 -0.189 0.000 2.500 270 S HA -0.030 4.443 4.470 0.005 0.000 0.239 270 S C 1.702 176.386 174.600 0.140 0.000 0.989 270 S CA 0.584 58.762 58.200 -0.037 0.000 0.951 270 S CB -0.389 62.785 63.200 -0.044 0.000 0.759 270 S HN 0.507 8.817 8.310 0.000 0.000 0.523 271 G N 2.207 111.200 108.800 0.323 0.000 2.648 271 G HA2 0.129 4.092 3.960 0.005 0.000 0.217 271 G HA3 0.129 4.092 3.960 0.005 0.000 0.217 271 G C 0.910 175.872 174.900 0.104 0.000 1.386 271 G CA -0.007 45.295 45.100 0.337 0.000 0.920 271 G HN 0.459 8.749 8.290 0.000 0.000 0.540 272 K N 0.837 121.256 120.400 0.032 0.000 2.564 272 K HA 0.366 4.689 4.320 0.005 0.000 0.205 272 K C 0.791 177.328 176.600 -0.106 0.000 1.053 272 K CA 0.382 56.573 56.287 -0.160 0.000 1.072 272 K CB 1.174 33.384 32.500 -0.483 0.000 0.822 272 K HN 0.752 9.002 8.250 0.000 0.000 0.497 273 G N 1.310 110.047 108.800 -0.105 0.000 2.693 273 G HA2 -0.327 3.635 3.960 0.005 0.000 0.226 273 G HA3 -0.327 3.635 3.960 0.005 0.000 0.226 273 G C -0.136 174.668 174.900 -0.161 0.000 1.354 273 G CA -0.420 44.551 45.100 -0.214 0.000 0.873 273 G HN 0.186 8.476 8.290 0.000 0.000 0.562 274 Y N 1.294 121.582 120.300 -0.020 0.000 2.471 274 Y HA 0.285 4.837 4.550 0.003 0.000 0.286 274 Y C 2.089 177.956 175.900 -0.054 0.000 1.188 274 Y CA 0.535 58.591 58.100 -0.072 0.000 1.286 274 Y CB 0.319 38.681 38.460 -0.163 0.000 1.072 274 Y HN 0.416 8.696 8.280 0.000 0.000 0.517 275 N N -1.058 117.622 118.700 -0.032 0.000 2.377 275 N HA 0.014 4.757 4.740 0.005 0.000 0.259 275 N C -1.365 173.773 175.510 -0.620 0.000 1.332 275 N CA 0.119 52.878 53.050 -0.485 0.000 0.877 275 N CB 0.818 39.191 38.487 -0.191 0.000 1.299 275 N HN 0.137 8.517 8.380 0.000 0.000 0.501 276 Y N 0.854 120.922 120.300 -0.388 0.000 2.396 276 Y HA 0.343 4.892 4.550 -0.000 0.000 0.332 276 Y C -0.993 174.871 175.900 -0.060 0.000 1.034 276 Y CA -0.817 57.147 58.100 -0.227 0.000 1.057 276 Y CB 1.670 39.989 38.460 -0.236 0.000 1.220 276 Y HN -0.204 8.076 8.280 0.000 0.000 0.440 277 S N 5.792 121.428 115.700 -0.106 0.000 2.433 277 S HA 0.476 4.949 4.470 0.005 0.000 0.310 277 S C -1.016 173.564 174.600 -0.034 0.000 1.097 277 S CA -0.352 57.848 58.200 -0.000 0.000 1.103 277 S CB 0.091 63.255 63.200 -0.061 0.000 0.992 277 S HN 0.558 8.868 8.310 0.000 0.000 0.469 278 Y N 3.067 123.420 120.300 0.087 0.000 2.459 278 Y HA 0.110 4.664 4.550 0.008 0.000 0.349 278 Y C 1.767 177.485 175.900 -0.304 0.000 1.266 278 Y CA 0.399 58.494 58.100 -0.009 0.000 1.483 278 Y CB 0.558 38.973 38.460 -0.075 0.000 1.362 278 Y HN 0.694 8.974 8.280 0.000 0.000 0.628 279 K N 0.176 120.303 120.400 -0.455 0.000 2.242 279 K HA 0.175 4.498 4.320 0.005 0.000 0.200 279 K C -0.649 175.824 176.600 -0.212 0.000 1.050 279 K CA 0.706 56.511 56.287 -0.805 0.000 0.981 279 K CB 0.298 31.912 32.500 -1.477 0.000 0.795 279 K HN 0.417 8.667 8.250 0.000 0.000 0.477 280 V N 0.508 120.312 119.914 -0.182 0.000 2.823 280 V HA 0.374 4.496 4.120 0.005 0.000 0.312 280 V C -1.023 174.962 176.094 -0.182 0.000 1.072 280 V CA -0.957 61.258 62.300 -0.141 0.000 0.937 280 V CB 1.675 33.376 31.823 -0.203 0.000 1.013 280 V HN 0.196 8.386 8.190 0.000 0.000 0.430 281 S N 2.960 118.555 115.700 -0.174 0.000 2.566 281 S HA 0.663 5.136 4.470 0.005 0.000 0.273 281 S C -1.431 173.031 174.600 -0.231 0.000 1.157 281 S CA -0.569 57.491 58.200 -0.233 0.000 0.938 281 S CB 1.740 64.828 63.200 -0.187 0.000 1.087 281 S HN 0.813 9.123 8.310 0.000 0.000 0.474 282 E N 3.308 123.342 120.200 -0.277 0.000 2.290 282 E HA 0.459 4.812 4.350 0.005 0.000 0.274 282 E C -1.243 175.125 176.600 -0.388 0.000 0.889 282 E CA -0.549 55.659 56.400 -0.320 0.000 0.760 282 E CB 2.251 31.775 29.700 -0.293 0.000 1.206 282 E HN 0.659 9.019 8.360 0.000 0.000 0.419 283 M N 3.145 122.422 119.600 -0.537 0.000 2.321 283 M HA 0.465 4.947 4.480 0.005 0.000 0.315 283 M C -0.747 174.935 176.300 -1.030 0.000 1.052 283 M CA -0.682 54.168 55.300 -0.749 0.000 0.936 283 M CB 1.916 34.014 32.600 -0.838 0.000 1.639 283 M HN 0.346 8.636 8.290 0.000 0.000 0.433 284 K N 1.297 121.302 120.400 -0.659 0.000 2.551 284 K HA 0.838 5.161 4.320 0.005 0.000 0.269 284 K C -1.383 175.264 176.600 0.077 0.000 0.949 284 K CA -1.010 55.102 56.287 -0.292 0.000 0.849 284 K CB 2.253 34.615 32.500 -0.229 0.000 1.411 284 K HN 0.556 8.806 8.250 0.000 0.000 0.432 285 V N -1.796 118.298 119.914 0.301 0.000 3.074 285 V HA 0.807 4.930 4.120 0.005 0.000 0.314 285 V C -0.914 175.348 176.094 0.281 0.000 1.117 285 V CA -0.960 61.551 62.300 0.351 0.000 1.014 285 V CB 1.989 33.959 31.823 0.245 0.000 1.057 285 V HN 1.007 9.197 8.190 0.000 0.000 0.438 286 R N 1.540 122.089 120.500 0.081 0.000 2.594 286 R HA 0.542 4.884 4.340 0.005 0.000 0.265 286 R C -3.219 173.001 176.300 -0.133 0.000 1.070 286 R CA -1.641 54.341 56.100 -0.198 0.000 0.909 286 R CB 2.876 32.720 30.300 -0.761 0.000 1.243 286 R HN 0.635 8.905 8.270 0.000 0.000 0.455 287 P HA 0.101 4.521 4.420 0.000 0.000 0.267 287 P C -0.919 176.324 177.300 -0.096 0.000 1.205 287 P CA 0.103 63.156 63.100 -0.080 0.000 0.765 287 P CB 1.156 32.808 31.700 -0.080 0.000 0.828 288 A N 0.000 122.792 122.820 -0.046 0.000 2.254 288 A HA 0.000 4.323 4.320 0.005 0.000 0.244 288 A CA 0.000 52.013 52.037 -0.041 0.000 0.836 288 A CB 0.000 19.000 19.000 0.001 0.000 0.831 288 A HN 0.000 8.150 8.150 0.000 0.000 0.486