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 3cgu_1_A DATA FIRST_RESID 98 DATA SEQUENCE RDVRILYQVG DSEEDLPVcA PNAVcSKIDL YETPWIERQc RcPDGRTXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXcPSSLGVE DGHTIADKTR HYKMcQPVHK LPVcKHFRDY DATA SEQUENCE TWTLTTAAEL NVTEQIVHcR cPRNSVTYLT KREPIGNDSP GYRYLFAcSP DATA SEQUENCE LTRLRcQRKQ PcKLFTVRKR QEFLDEVNIN SLcQcPKGHR cPSHHTQSGV DATA SEQUENCE IAGESFLEDN IQTYSGYcMA ND 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 98 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 98 R C 0.000 176.304 176.300 0.006 0.000 0.893 98 R CA 0.000 56.104 56.100 0.007 0.000 0.921 98 R CB 0.000 30.302 30.300 0.004 0.000 0.687 99 D N -0.705 119.697 120.400 0.003 0.000 3.455 99 D HA -0.181 4.453 4.640 -0.009 0.000 0.216 99 D C -0.759 175.544 176.300 0.004 0.000 1.510 99 D CA 1.394 55.394 54.000 0.001 0.000 1.128 99 D CB -0.567 40.231 40.800 -0.002 0.000 0.680 99 D HN 0.171 8.541 8.370 -0.000 0.000 0.828 100 V N 0.923 120.838 119.914 0.002 0.000 2.637 100 V HA 0.128 4.243 4.120 -0.009 0.000 0.296 100 V C 1.122 177.229 176.094 0.021 0.000 1.046 100 V CA 0.122 62.429 62.300 0.011 0.000 1.066 100 V CB 1.114 32.936 31.823 -0.002 0.000 0.968 100 V HN 0.360 8.550 8.190 -0.000 0.000 0.483 101 R N 4.481 125.007 120.500 0.043 0.000 2.458 101 R HA 0.258 4.593 4.340 -0.009 0.000 0.303 101 R C -0.762 175.553 176.300 0.024 0.000 1.013 101 R CA -0.016 56.104 56.100 0.034 0.000 1.026 101 R CB 0.074 30.399 30.300 0.041 0.000 0.948 101 R HN 0.663 8.933 8.270 -0.000 0.000 0.417 102 I N 7.562 128.113 120.570 -0.033 0.000 2.362 102 I HA 0.248 4.413 4.170 -0.009 0.000 0.289 102 I C -0.023 175.946 176.117 -0.248 0.000 0.994 102 I CA -0.818 60.404 61.300 -0.129 0.000 1.158 102 I CB 1.312 39.226 38.000 -0.143 0.000 1.315 102 I HN 0.531 8.741 8.210 -0.000 0.000 0.451 103 L N 4.167 125.188 121.223 -0.337 0.000 2.260 103 L HA 0.754 5.088 4.340 -0.009 0.000 0.265 103 L C -1.597 174.908 176.870 -0.610 0.000 1.015 103 L CA -0.831 53.793 54.840 -0.360 0.000 0.826 103 L CB 1.455 43.367 42.059 -0.244 0.000 1.373 103 L HN 0.303 8.533 8.230 -0.000 0.000 0.450 104 Y N -0.918 119.356 120.300 -0.043 0.000 2.477 104 Y HA 0.309 4.854 4.550 -0.009 0.000 0.347 104 Y C 0.644 176.528 175.900 -0.026 0.000 0.981 104 Y CA -0.696 57.392 58.100 -0.019 0.000 1.033 104 Y CB 2.118 40.569 38.460 -0.015 0.000 1.245 104 Y HN 0.728 9.008 8.280 -0.000 0.000 0.455 105 Q N 0.108 119.981 119.800 0.122 0.000 2.369 105 Q HA 0.169 4.504 4.340 -0.009 0.000 0.206 105 Q C -0.611 175.431 176.000 0.071 0.000 0.963 105 Q CA 0.992 56.837 55.803 0.070 0.000 0.894 105 Q CB 0.359 29.136 28.738 0.066 0.000 0.965 105 Q HN 0.356 8.626 8.270 -0.000 0.000 0.475 106 V N 0.193 120.165 119.914 0.096 0.000 2.888 106 V HA 0.587 4.702 4.120 -0.009 0.000 0.309 106 V C 0.555 176.671 176.094 0.035 0.000 1.114 106 V CA -0.295 62.038 62.300 0.055 0.000 0.940 106 V CB 1.257 33.105 31.823 0.041 0.000 1.021 106 V HN 0.582 8.772 8.190 -0.000 0.000 0.426 107 G N 4.474 113.275 108.800 0.001 0.000 2.574 107 G HA2 -0.244 3.711 3.960 -0.009 0.000 0.286 107 G HA3 -0.244 3.711 3.960 -0.009 0.000 0.286 107 G C -0.006 174.859 174.900 -0.057 0.000 1.212 107 G CA 1.133 46.208 45.100 -0.043 0.000 0.979 107 G HN 1.645 9.935 8.290 -0.000 0.000 0.557 108 D N -2.224 118.062 120.400 -0.189 0.000 2.783 108 D HA 0.528 5.163 4.640 -0.009 0.000 0.306 108 D C -0.048 175.815 176.300 -0.728 0.000 1.633 108 D CA 0.878 54.727 54.000 -0.252 0.000 0.796 108 D CB 0.366 41.109 40.800 -0.095 0.000 1.230 108 D HN 0.863 9.233 8.370 -0.000 0.000 0.441 109 S N -0.783 114.255 115.700 -1.103 0.000 2.597 109 S HA 0.128 4.592 4.470 -0.009 0.000 0.274 109 S C 0.105 174.301 174.600 -0.672 0.000 1.132 109 S CA -0.549 57.024 58.200 -1.045 0.000 0.835 109 S CB 1.164 64.113 63.200 -0.418 0.000 1.092 109 S HN -0.010 8.300 8.310 -0.000 0.000 0.457 110 E N 1.352 121.366 120.200 -0.311 0.000 2.147 110 E HA -0.224 4.120 4.350 -0.009 0.000 0.199 110 E C 1.608 178.168 176.600 -0.067 0.000 1.005 110 E CA 1.855 58.229 56.400 -0.044 0.000 0.810 110 E CB -0.210 29.506 29.700 0.028 0.000 0.736 110 E HN 0.660 9.020 8.360 -0.000 0.000 0.460 111 E N 1.541 121.677 120.200 -0.106 0.000 2.097 111 E HA -0.187 4.157 4.350 -0.009 0.000 0.196 111 E C 1.338 177.900 176.600 -0.064 0.000 1.000 111 E CA 1.622 57.978 56.400 -0.073 0.000 0.804 111 E CB -0.177 29.475 29.700 -0.081 0.000 0.740 111 E HN 0.157 8.517 8.360 -0.000 0.000 0.454 112 D N -0.522 119.820 120.400 -0.097 0.000 2.347 112 D HA -0.034 4.600 4.640 -0.009 0.000 0.215 112 D C -0.041 176.245 176.300 -0.023 0.000 0.976 112 D CA 0.124 54.085 54.000 -0.064 0.000 0.884 112 D CB -0.018 40.728 40.800 -0.090 0.000 0.915 112 D HN 0.162 8.532 8.370 -0.000 0.000 0.526 113 L N 2.675 123.894 121.223 -0.007 0.000 2.416 113 L HA 0.188 4.523 4.340 -0.009 0.000 0.272 113 L C -1.697 175.189 176.870 0.026 0.000 1.161 113 L CA -1.351 53.510 54.840 0.035 0.000 0.845 113 L CB 0.143 42.246 42.059 0.072 0.000 1.119 113 L HN -0.121 8.109 8.230 -0.000 0.000 0.464 114 P HA 0.127 4.547 4.420 -0.000 0.000 0.274 114 P C -0.777 176.539 177.300 0.027 0.000 1.256 114 P CA -0.400 62.715 63.100 0.025 0.000 0.795 114 P CB 0.687 32.404 31.700 0.027 0.000 1.038 115 V N 0.706 120.633 119.914 0.022 0.000 2.607 115 V HA 0.076 4.190 4.120 -0.009 0.000 0.289 115 V C 0.936 177.043 176.094 0.021 0.000 1.053 115 V CA -0.361 61.952 62.300 0.021 0.000 0.996 115 V CB 1.042 32.875 31.823 0.017 0.000 0.995 115 V HN 0.705 8.895 8.190 -0.000 0.000 0.476 116 c N 4.453 123.066 118.600 0.021 0.000 2.601 116 c HA 0.591 5.156 4.570 -0.009 0.000 0.409 116 c C 1.041 175.140 174.090 0.015 0.000 1.293 116 c CA -0.363 55.977 56.329 0.018 0.000 2.101 116 c CB 0.018 42.539 42.510 0.018 0.000 2.639 116 c HN 1.038 9.268 8.230 -0.000 0.000 0.592 117 A N 5.817 128.644 122.820 0.012 0.000 2.304 117 A HA 0.596 4.911 4.320 -0.009 0.000 0.271 117 A C -2.309 175.280 177.584 0.008 0.000 1.091 117 A CA -1.017 51.027 52.037 0.012 0.000 0.812 117 A CB -0.297 18.711 19.000 0.014 0.000 1.056 117 A HN 0.745 8.895 8.150 -0.000 0.000 0.489 118 P HA 0.007 4.427 4.420 -0.000 0.000 0.261 118 P C -0.302 176.996 177.300 -0.003 0.000 1.173 118 P CA 0.708 63.814 63.100 0.009 0.000 0.760 118 P CB 0.084 31.794 31.700 0.017 0.000 0.783 119 N N -0.923 117.770 118.700 -0.012 0.000 2.747 119 N HA -0.191 4.544 4.740 -0.009 0.000 0.249 119 N C -0.191 175.277 175.510 -0.070 0.000 1.107 119 N CA 1.303 54.332 53.050 -0.036 0.000 0.707 119 N CB -1.533 36.935 38.487 -0.032 0.000 1.054 119 N HN 0.548 8.928 8.380 -0.000 0.000 0.555 120 A N -0.550 122.238 122.820 -0.053 0.000 2.295 120 A HA 0.652 4.967 4.320 -0.009 0.000 0.318 120 A C 0.598 178.137 177.584 -0.075 0.000 1.134 120 A CA -0.488 51.506 52.037 -0.072 0.000 0.827 120 A CB 1.203 20.180 19.000 -0.037 0.000 1.136 120 A HN 0.038 8.188 8.150 -0.000 0.000 0.493 121 V N 1.819 121.663 119.914 -0.117 0.000 2.479 121 V HA 0.029 4.144 4.120 -0.009 0.000 0.281 121 V C 1.474 177.556 176.094 -0.020 0.000 1.031 121 V CA 0.468 62.717 62.300 -0.085 0.000 1.038 121 V CB 0.386 32.124 31.823 -0.142 0.000 0.981 121 V HN 1.200 9.390 8.190 -0.000 0.000 0.478 122 c N 3.018 121.622 118.600 0.008 0.000 2.551 122 c HA 0.329 4.894 4.570 -0.009 0.000 0.277 122 c C 0.942 175.048 174.090 0.026 0.000 1.349 122 c CA -0.065 56.277 56.329 0.022 0.000 1.750 122 c CB -0.271 42.257 42.510 0.031 0.000 2.058 122 c HN 0.705 8.935 8.230 -0.000 0.000 0.518 123 S N 0.030 115.745 115.700 0.025 0.000 2.536 123 S HA 0.509 4.974 4.470 -0.009 0.000 0.271 123 S C -1.523 173.077 174.600 -0.000 0.000 1.134 123 S CA -0.447 57.761 58.200 0.013 0.000 0.897 123 S CB 1.448 64.646 63.200 -0.003 0.000 1.094 123 S HN 0.483 8.793 8.310 -0.000 0.000 0.473 124 K N 2.109 122.503 120.400 -0.010 0.000 2.307 124 K HA 0.577 4.892 4.320 -0.009 0.000 0.263 124 K C -1.068 175.425 176.600 -0.177 0.000 0.973 124 K CA -0.302 55.919 56.287 -0.110 0.000 0.846 124 K CB 1.411 33.903 32.500 -0.013 0.000 1.100 124 K HN 0.493 8.743 8.250 -0.000 0.000 0.438 125 I N 2.382 122.756 120.570 -0.326 0.000 2.355 125 I HA 0.139 4.304 4.170 -0.009 0.000 0.288 125 I C -0.342 175.412 176.117 -0.605 0.000 0.999 125 I CA -0.597 60.465 61.300 -0.397 0.000 1.163 125 I CB 1.272 39.083 38.000 -0.315 0.000 1.316 125 I HN 0.573 8.783 8.210 -0.000 0.000 0.454 126 D N 7.531 127.372 120.400 -0.933 0.000 2.232 126 D HA 0.305 4.940 4.640 -0.009 0.000 0.242 126 D C -0.195 175.687 176.300 -0.696 0.000 1.093 126 D CA -0.295 53.142 54.000 -0.939 0.000 0.845 126 D CB 1.803 41.719 40.800 -1.473 0.000 1.124 126 D HN 0.486 8.856 8.370 -0.000 0.000 0.467 127 L N 4.688 125.658 121.223 -0.422 0.000 3.110 127 L HA 0.133 4.468 4.340 -0.009 0.000 0.266 127 L C 0.951 177.733 176.870 -0.148 0.000 1.257 127 L CA -0.538 54.124 54.840 -0.296 0.000 1.038 127 L CB 0.089 41.956 42.059 -0.319 0.000 1.395 127 L HN 0.501 8.731 8.230 -0.000 0.000 0.566 128 Y N 0.440 120.608 120.300 -0.221 0.000 2.134 128 Y HA -0.087 4.457 4.550 -0.009 0.000 0.283 128 Y C 2.223 178.082 175.900 -0.068 0.000 1.108 128 Y CA 1.566 59.598 58.100 -0.114 0.000 1.096 128 Y CB 0.690 39.102 38.460 -0.081 0.000 1.005 128 Y HN 0.143 8.423 8.280 -0.000 0.000 0.487 129 E N -0.592 119.633 120.200 0.041 0.000 2.799 129 E HA 0.141 4.485 4.350 -0.009 0.000 0.298 129 E C -0.016 176.574 176.600 -0.018 0.000 0.805 129 E CA 0.478 56.861 56.400 -0.028 0.000 1.265 129 E CB -0.618 29.139 29.700 0.094 0.000 2.052 129 E HN 0.028 8.388 8.360 -0.000 0.000 0.541 130 T N 5.093 119.679 114.554 0.053 0.000 2.737 130 T HA 0.274 4.618 4.350 -0.009 0.000 0.296 130 T C -2.407 172.321 174.700 0.046 0.000 0.922 130 T CA -1.113 61.022 62.100 0.058 0.000 1.079 130 T CB 0.879 69.813 68.868 0.111 0.000 0.892 130 T HN -0.030 8.210 8.240 -0.000 0.000 0.514 131 P HA 0.141 4.561 4.420 -0.000 0.000 0.267 131 P C -0.454 176.839 177.300 -0.011 0.000 1.205 131 P CA -0.315 62.704 63.100 -0.134 0.000 0.765 131 P CB 0.336 31.960 31.700 -0.127 0.000 0.828 132 W N 3.073 124.325 121.300 -0.081 0.000 3.033 132 W HA 0.657 5.313 4.660 -0.008 0.000 0.336 132 W C -1.747 174.704 176.519 -0.112 0.000 1.173 132 W CA -1.190 56.102 57.345 -0.088 0.000 1.185 132 W CB 0.846 30.261 29.460 -0.074 0.000 1.425 132 W HN 0.083 8.263 8.180 -0.000 0.000 0.536 133 I N 1.963 122.696 120.570 0.272 0.000 2.362 133 I HA 0.175 4.340 4.170 -0.009 0.000 0.289 133 I C -0.265 175.960 176.117 0.180 0.000 0.994 133 I CA -0.483 60.895 61.300 0.131 0.000 1.158 133 I CB 1.955 39.956 38.000 0.002 0.000 1.315 133 I HN 0.462 8.672 8.210 -0.000 0.000 0.451 134 E N 7.036 127.370 120.200 0.223 0.000 2.092 134 E HA 0.272 4.617 4.350 -0.009 0.000 0.271 134 E C -0.603 175.993 176.600 -0.007 0.000 0.919 134 E CA -0.880 55.576 56.400 0.093 0.000 0.760 134 E CB 0.821 30.658 29.700 0.228 0.000 1.106 134 E HN 0.395 8.755 8.360 -0.000 0.000 0.408 135 R N 3.267 123.689 120.500 -0.130 0.000 2.449 135 R HA 0.023 4.358 4.340 -0.009 0.000 0.296 135 R C 0.603 176.926 176.300 0.039 0.000 1.047 135 R CA 0.026 56.095 56.100 -0.052 0.000 1.018 135 R CB 0.765 31.022 30.300 -0.071 0.000 0.962 135 R HN 0.684 8.954 8.270 -0.000 0.000 0.428 136 Q N 0.878 120.707 119.800 0.049 0.000 2.304 136 Q HA 0.084 4.418 4.340 -0.009 0.000 0.204 136 Q C 1.116 177.155 176.000 0.064 0.000 0.936 136 Q CA 0.934 56.771 55.803 0.057 0.000 0.878 136 Q CB 0.249 29.011 28.738 0.040 0.000 0.983 136 Q HN 0.821 9.091 8.270 -0.000 0.000 0.516 137 c N -1.247 117.389 118.600 0.059 0.000 3.284 137 c HA 0.714 5.279 4.570 -0.009 0.000 0.348 137 c C -1.193 172.929 174.090 0.054 0.000 1.448 137 c CA -1.254 55.108 56.329 0.055 0.000 1.223 137 c CB 1.445 43.977 42.510 0.037 0.000 1.588 137 c HN 0.193 8.423 8.230 -0.000 0.000 0.451 138 R N 0.202 120.729 120.500 0.045 0.000 2.346 138 R HA 0.602 4.936 4.340 -0.009 0.000 0.311 138 R C -0.610 175.709 176.300 0.032 0.000 0.983 138 R CA -0.230 55.894 56.100 0.040 0.000 0.880 138 R CB 1.172 31.493 30.300 0.035 0.000 1.100 138 R HN 0.831 9.101 8.270 -0.000 0.000 0.453 139 c N 5.073 123.692 118.600 0.031 0.000 2.642 139 c HA 0.136 4.701 4.570 -0.009 0.000 0.420 139 c C -1.532 172.573 174.090 0.026 0.000 1.349 139 c CA -0.919 55.429 56.329 0.030 0.000 1.821 139 c CB -0.418 42.113 42.510 0.035 0.000 2.637 139 c HN 0.562 8.792 8.230 -0.000 0.000 0.605 140 P HA 0.115 4.535 4.420 -0.000 0.000 0.271 140 P C -0.345 176.968 177.300 0.023 0.000 1.216 140 P CA 0.259 63.371 63.100 0.022 0.000 0.771 140 P CB 0.593 32.305 31.700 0.020 0.000 0.864 141 D N 1.636 122.048 120.400 0.019 0.000 2.398 141 D HA 0.146 4.781 4.640 -0.009 0.000 0.247 141 D C 1.099 177.410 176.300 0.020 0.000 1.227 141 D CA 0.005 54.017 54.000 0.019 0.000 0.980 141 D CB 0.687 41.495 40.800 0.015 0.000 1.106 141 D HN 0.426 8.796 8.370 -0.000 0.000 0.493 142 G N 0.812 109.624 108.800 0.020 0.000 3.939 142 G HA2 0.235 4.190 3.960 -0.009 0.000 0.268 142 G HA3 0.235 4.190 3.960 -0.009 0.000 0.268 142 G C 0.380 175.293 174.900 0.021 0.000 1.172 142 G CA -0.159 44.952 45.100 0.018 0.000 1.614 142 G HN 0.142 8.432 8.290 -0.000 0.000 0.639 143 R N -0.650 119.865 120.500 0.025 0.000 2.939 143 R HA 0.821 5.156 4.340 -0.009 0.000 0.254 143 R C -0.513 175.799 176.300 0.020 0.000 1.123 143 R CA -0.532 55.586 56.100 0.029 0.000 1.020 143 R CB 2.133 32.465 30.300 0.054 0.000 1.206 143 R HN 0.250 8.520 8.270 -0.000 0.000 0.491 261 P HA 0.380 4.800 4.420 -0.000 0.000 0.272 261 P C 0.212 177.491 177.300 -0.035 0.000 1.223 261 P CA 0.188 63.236 63.100 -0.087 0.000 0.784 261 P CB 0.665 32.297 31.700 -0.114 0.000 0.923 262 S N -1.274 114.407 115.700 -0.031 0.000 2.817 262 S HA 0.098 4.562 4.470 -0.009 0.000 0.262 262 S C 0.536 175.125 174.600 -0.018 0.000 1.051 262 S CA -0.186 58.001 58.200 -0.022 0.000 1.185 262 S CB 0.025 63.212 63.200 -0.022 0.000 1.152 262 S HN 0.530 8.839 8.310 -0.000 0.000 0.653 263 S N 1.196 116.889 115.700 -0.011 0.000 2.559 263 S HA 0.195 4.660 4.470 -0.009 0.000 0.282 263 S C 0.969 175.575 174.600 0.010 0.000 1.336 263 S CA -0.032 58.168 58.200 -0.001 0.000 1.037 263 S CB 0.178 63.382 63.200 0.008 0.000 0.853 263 S HN 0.434 8.744 8.310 -0.000 0.000 0.523 264 L N 3.211 124.434 121.223 -0.000 0.000 2.585 264 L HA 0.287 4.622 4.340 -0.009 0.000 0.226 264 L C 1.481 178.390 176.870 0.066 0.000 1.113 264 L CA 0.057 54.882 54.840 -0.026 0.000 0.876 264 L CB -0.592 41.421 42.059 -0.077 0.000 1.072 264 L HN 0.740 8.970 8.230 -0.000 0.000 0.468 265 G N -0.254 108.600 108.800 0.089 0.000 2.606 265 G HA2 0.362 4.317 3.960 -0.009 0.000 0.262 265 G HA3 0.362 4.317 3.960 -0.009 0.000 0.262 265 G C 0.467 175.432 174.900 0.108 0.000 1.394 265 G CA 0.329 45.498 45.100 0.115 0.000 1.044 265 G HN -0.081 8.209 8.290 -0.000 0.000 0.553 266 V N -3.063 116.877 119.914 0.044 0.000 3.330 266 V HA 0.336 4.450 4.120 -0.009 0.000 0.309 266 V C 1.168 177.273 176.094 0.019 0.000 1.481 266 V CA 0.143 62.439 62.300 -0.006 0.000 1.068 266 V CB 0.566 32.345 31.823 -0.075 0.000 0.935 266 V HN 0.422 8.612 8.190 -0.000 0.000 0.453 267 E N 2.542 122.759 120.200 0.029 0.000 2.208 267 E HA -0.144 4.201 4.350 -0.009 0.000 0.193 267 E C 1.655 178.280 176.600 0.041 0.000 0.988 267 E CA 1.524 57.940 56.400 0.027 0.000 0.828 267 E CB -0.168 29.544 29.700 0.021 0.000 0.763 267 E HN 0.952 9.312 8.360 -0.000 0.000 0.478 268 D N 0.217 120.652 120.400 0.058 0.000 2.350 268 D HA -0.072 4.563 4.640 -0.009 0.000 0.216 268 D C 1.372 177.780 176.300 0.180 0.000 0.968 268 D CA 1.017 55.071 54.000 0.090 0.000 0.894 268 D CB -0.488 40.349 40.800 0.061 0.000 0.909 268 D HN 0.199 8.569 8.370 -0.000 0.000 0.520 269 G N -0.101 108.775 108.800 0.126 0.000 2.153 269 G HA2 -0.320 3.635 3.960 -0.009 0.000 0.252 269 G HA3 -0.320 3.635 3.960 -0.009 0.000 0.252 269 G C 0.575 175.501 174.900 0.043 0.000 0.994 269 G CA 0.485 45.640 45.100 0.091 0.000 0.698 269 G HN 0.597 8.887 8.290 -0.000 0.000 0.521 270 H N -0.385 118.698 119.070 0.021 0.000 2.785 270 H HA 0.194 4.745 4.556 -0.008 0.000 0.268 270 H C 0.129 175.464 175.328 0.012 0.000 1.153 270 H CA 0.732 56.791 56.048 0.019 0.000 1.111 270 H CB 1.108 30.878 29.762 0.014 0.000 1.633 270 H HN 0.329 8.609 8.280 -0.000 0.000 0.576 271 T N 1.843 116.449 114.554 0.086 0.000 2.829 271 T HA 0.440 4.785 4.350 -0.009 0.000 0.280 271 T C 0.217 174.913 174.700 -0.007 0.000 0.999 271 T CA -0.454 61.663 62.100 0.029 0.000 0.983 271 T CB 2.029 70.887 68.868 -0.016 0.000 0.968 271 T HN 0.078 8.318 8.240 -0.000 0.000 0.446 272 I N 2.661 123.237 120.570 0.010 0.000 2.330 272 I HA 0.522 4.686 4.170 -0.009 0.000 0.289 272 I C 0.457 176.571 176.117 -0.006 0.000 1.001 272 I CA -0.835 60.486 61.300 0.035 0.000 1.193 272 I CB 1.224 39.289 38.000 0.108 0.000 1.345 272 I HN 0.663 8.873 8.210 -0.000 0.000 0.461 273 A N 4.506 127.263 122.820 -0.104 0.000 2.328 273 A HA 0.491 4.806 4.320 -0.009 0.000 0.284 273 A C -0.534 177.087 177.584 0.061 0.000 1.160 273 A CA -0.126 51.797 52.037 -0.189 0.000 0.818 273 A CB 0.392 19.234 19.000 -0.264 0.000 1.087 273 A HN 0.733 8.883 8.150 -0.000 0.000 0.504 274 D N 2.000 122.483 120.400 0.138 0.000 2.323 274 D HA 0.350 4.985 4.640 -0.009 0.000 0.242 274 D C 0.496 176.911 176.300 0.193 0.000 1.347 274 D CA -0.338 53.807 54.000 0.242 0.000 0.988 274 D CB 0.019 41.119 40.800 0.499 0.000 1.314 274 D HN 0.660 9.030 8.370 -0.000 0.000 0.564 275 K N 0.767 121.257 120.400 0.151 0.000 8.153 275 K HA -0.331 3.983 4.320 -0.009 0.000 0.389 275 K C 0.988 177.657 176.600 0.114 0.000 0.556 275 K CA 2.064 58.429 56.287 0.130 0.000 1.356 275 K CB -1.585 31.000 32.500 0.142 0.000 0.798 275 K HN 0.461 8.711 8.250 -0.000 0.000 1.027 276 T N 1.955 116.566 114.554 0.095 0.000 3.085 276 T HA 0.240 4.584 4.350 -0.009 0.000 0.264 276 T C -0.095 174.578 174.700 -0.044 0.000 1.019 276 T CA -0.274 61.860 62.100 0.056 0.000 0.910 276 T CB 0.198 69.119 68.868 0.089 0.000 1.059 276 T HN 0.234 8.474 8.240 -0.000 0.000 0.542 277 R N 0.478 120.962 120.500 -0.026 0.000 2.771 277 R HA 0.546 4.880 4.340 -0.009 0.000 0.274 277 R C -1.657 174.620 176.300 -0.038 0.000 0.987 277 R CA -0.845 55.133 56.100 -0.204 0.000 0.908 277 R CB 1.328 31.413 30.300 -0.358 0.000 1.213 277 R HN 0.259 8.529 8.270 -0.000 0.000 0.468 278 H N 0.813 119.567 119.070 -0.527 0.000 2.538 278 H HA 0.355 4.906 4.556 -0.008 0.000 0.353 278 H C -1.188 173.769 175.328 -0.619 0.000 1.109 278 H CA -0.584 55.217 56.048 -0.412 0.000 1.192 278 H CB 1.006 30.633 29.762 -0.226 0.000 1.555 278 H HN 0.402 8.682 8.280 -0.000 0.000 0.518 279 Y N 1.839 122.107 120.300 -0.055 0.000 2.328 279 Y HA 0.322 4.867 4.550 -0.009 0.000 0.337 279 Y C 0.102 175.954 175.900 -0.081 0.000 0.966 279 Y CA -1.015 57.004 58.100 -0.135 0.000 1.136 279 Y CB 1.206 39.481 38.460 -0.308 0.000 1.170 279 Y HN 0.218 8.498 8.280 -0.000 0.000 0.470 280 K N 4.702 125.145 120.400 0.072 0.000 2.201 280 K HA 0.439 4.754 4.320 -0.009 0.000 0.278 280 K C -0.394 176.247 176.600 0.068 0.000 1.027 280 K CA -0.348 55.981 56.287 0.070 0.000 0.909 280 K CB 1.104 33.634 32.500 0.049 0.000 1.062 280 K HN 0.639 8.889 8.250 -0.000 0.000 0.465 281 M N 1.177 120.834 119.600 0.094 0.000 2.598 281 M HA 0.229 4.704 4.480 -0.009 0.000 0.317 281 M C 1.185 177.594 176.300 0.181 0.000 1.201 281 M CA -0.618 54.728 55.300 0.076 0.000 0.971 281 M CB 1.176 33.784 32.600 0.013 0.000 1.657 281 M HN 0.561 8.851 8.290 -0.000 0.000 0.470 282 c N -0.408 118.267 118.600 0.125 0.000 2.466 282 c HA 0.009 4.574 4.570 -0.009 0.000 0.278 282 c C 1.396 175.620 174.090 0.225 0.000 1.288 282 c CA 0.294 56.723 56.329 0.166 0.000 1.722 282 c CB -0.293 42.267 42.510 0.083 0.000 2.017 282 c HN 0.613 8.843 8.230 -0.000 0.000 0.488 283 Q N 0.519 120.355 119.800 0.060 0.000 2.193 283 Q HA 0.330 4.664 4.340 -0.009 0.000 0.246 283 Q C -2.552 173.243 176.000 -0.342 0.000 0.959 283 Q CA -1.649 54.124 55.803 -0.051 0.000 0.904 283 Q CB 0.389 29.111 28.738 -0.028 0.000 1.238 283 Q HN 0.157 8.427 8.270 -0.000 0.000 0.469 284 P HA -0.070 4.350 4.420 -0.000 0.000 0.268 284 P C 0.880 178.058 177.300 -0.202 0.000 1.205 284 P CA 0.116 62.939 63.100 -0.462 0.000 0.771 284 P CB 0.438 32.014 31.700 -0.206 0.000 0.858 285 V N 0.433 120.261 119.914 -0.143 0.000 2.759 285 V HA -0.231 3.884 4.120 -0.009 0.000 0.256 285 V C 1.692 177.782 176.094 -0.008 0.000 1.080 285 V CA 1.488 63.761 62.300 -0.046 0.000 1.101 285 V CB -1.562 30.254 31.823 -0.011 0.000 0.698 285 V HN 0.593 8.783 8.190 -0.000 0.000 0.477 286 H N 0.786 119.817 119.070 -0.065 0.000 2.529 286 H HA 0.080 4.631 4.556 -0.009 0.000 0.277 286 H C 2.025 177.335 175.328 -0.028 0.000 0.999 286 H CA 1.189 57.215 56.048 -0.036 0.000 1.256 286 H CB 0.301 30.045 29.762 -0.030 0.000 1.402 286 H HN 0.494 8.774 8.280 -0.000 0.000 0.566 287 K N 0.651 121.076 120.400 0.042 0.000 2.360 287 K HA -0.030 4.285 4.320 -0.009 0.000 0.201 287 K C 0.397 176.994 176.600 -0.005 0.000 1.046 287 K CA 0.342 56.638 56.287 0.014 0.000 0.945 287 K CB 0.167 32.668 32.500 0.001 0.000 0.750 287 K HN 0.160 8.410 8.250 -0.000 0.000 0.464 288 L N 2.586 123.793 121.223 -0.026 0.000 2.350 288 L HA 0.211 4.546 4.340 -0.009 0.000 0.275 288 L C -2.035 174.808 176.870 -0.045 0.000 1.099 288 L CA -2.328 52.497 54.840 -0.024 0.000 0.808 288 L CB 0.527 42.574 42.059 -0.021 0.000 1.149 288 L HN -0.081 8.149 8.230 -0.000 0.000 0.442 289 P HA 0.060 4.480 4.420 -0.000 0.000 0.272 289 P C -0.652 176.623 177.300 -0.041 0.000 1.223 289 P CA -0.276 62.809 63.100 -0.024 0.000 0.784 289 P CB 0.853 32.556 31.700 0.006 0.000 0.923 290 V N 2.073 121.954 119.914 -0.056 0.000 2.607 290 V HA 0.085 4.200 4.120 -0.009 0.000 0.289 290 V C 0.877 176.944 176.094 -0.044 0.000 1.053 290 V CA -0.307 61.958 62.300 -0.059 0.000 0.996 290 V CB 1.033 32.814 31.823 -0.070 0.000 0.995 290 V HN 0.699 8.889 8.190 -0.000 0.000 0.476 291 c N 5.985 124.561 118.600 -0.040 0.000 2.527 291 c HA 0.427 4.992 4.570 -0.009 0.000 0.396 291 c C 1.300 175.347 174.090 -0.072 0.000 1.289 291 c CA -0.450 55.853 56.329 -0.044 0.000 2.047 291 c CB 0.089 42.574 42.510 -0.042 0.000 2.568 291 c HN 1.065 9.295 8.230 -0.000 0.000 0.573 292 K N 2.749 123.077 120.400 -0.121 0.000 2.589 292 K HA 0.141 4.456 4.320 -0.009 0.000 0.218 292 K C 0.139 176.613 176.600 -0.210 0.000 1.468 292 K CA 0.018 56.199 56.287 -0.177 0.000 1.002 292 K CB -0.122 32.230 32.500 -0.246 0.000 1.200 292 K HN 0.715 8.965 8.250 -0.000 0.000 0.614 293 H N 0.671 119.733 119.070 -0.014 0.000 2.509 293 H HA 0.253 4.804 4.556 -0.007 0.000 0.359 293 H C -0.638 174.711 175.328 0.034 0.000 1.253 293 H CA -0.628 55.424 56.048 0.007 0.000 1.373 293 H CB 0.706 30.452 29.762 -0.027 0.000 1.555 293 H HN -0.045 8.235 8.280 -0.000 0.000 0.586 294 F N 1.667 121.653 119.950 0.059 0.000 2.467 294 F HA 0.113 4.636 4.527 -0.006 0.000 0.362 294 F C 0.666 176.407 175.800 -0.098 0.000 1.090 294 F CA -0.640 57.348 58.000 -0.020 0.000 1.202 294 F CB 0.240 39.233 39.000 -0.012 0.000 1.113 294 F HN 0.429 8.729 8.300 -0.000 0.000 0.541 295 R N 2.772 122.758 120.500 -0.856 0.000 3.322 295 R HA -0.236 4.099 4.340 -0.009 0.000 0.253 295 R C -1.295 174.532 176.300 -0.788 0.000 0.987 295 R CA 0.473 56.054 56.100 -0.866 0.000 0.666 295 R CB -2.357 27.348 30.300 -0.992 0.000 1.072 295 R HN 0.567 8.837 8.270 -0.000 0.000 0.447 296 D N 0.140 120.223 120.400 -0.529 0.000 2.304 296 D HA 0.110 4.745 4.640 -0.009 0.000 0.250 296 D C 0.158 176.139 176.300 -0.532 0.000 1.107 296 D CA 0.015 53.711 54.000 -0.506 0.000 0.885 296 D CB 0.281 40.970 40.800 -0.184 0.000 1.192 296 D HN 0.141 8.511 8.370 -0.000 0.000 0.436 297 Y N 0.875 121.095 120.300 -0.133 0.000 2.436 297 Y HA 0.088 4.635 4.550 -0.005 0.000 0.343 297 Y C 1.997 177.897 175.900 -0.000 0.000 1.008 297 Y CA -0.466 57.566 58.100 -0.114 0.000 1.241 297 Y CB 1.177 39.586 38.460 -0.085 0.000 1.153 297 Y HN 0.320 8.600 8.280 -0.000 0.000 0.521 298 T N 3.987 118.542 114.554 0.001 0.000 2.788 298 T HA -0.110 4.235 4.350 -0.009 0.000 0.268 298 T C -0.299 174.498 174.700 0.162 0.000 1.044 298 T CA 1.369 63.458 62.100 -0.018 0.000 1.139 298 T CB -0.060 68.646 68.868 -0.269 0.000 0.867 298 T HN 0.743 8.983 8.240 -0.000 0.000 0.454 299 W N 0.032 121.415 121.300 0.138 0.000 3.059 299 W HA 0.572 5.228 4.660 -0.007 0.000 0.329 299 W C -1.486 175.127 176.519 0.156 0.000 1.246 299 W CA -0.701 56.648 57.345 0.008 0.000 1.190 299 W CB 0.202 29.520 29.460 -0.237 0.000 1.423 299 W HN 0.033 8.213 8.180 -0.000 0.000 0.571 300 T N 0.279 115.108 114.554 0.459 0.000 2.861 300 T HA 0.719 5.064 4.350 -0.009 0.000 0.287 300 T C -1.597 173.292 174.700 0.316 0.000 1.003 300 T CA -0.710 61.617 62.100 0.379 0.000 0.977 300 T CB 1.722 70.778 68.868 0.313 0.000 0.996 300 T HN 0.874 9.114 8.240 -0.000 0.000 0.448 301 L N 3.069 124.495 121.223 0.338 0.000 2.280 301 L HA 0.572 4.907 4.340 -0.009 0.000 0.287 301 L C -0.356 176.646 176.870 0.219 0.000 1.023 301 L CA -0.292 54.685 54.840 0.227 0.000 0.819 301 L CB 1.411 43.591 42.059 0.201 0.000 1.212 301 L HN 0.903 9.133 8.230 -0.000 0.000 0.420 302 T N 1.456 116.105 114.554 0.158 0.000 2.824 302 T HA 0.378 4.723 4.350 -0.009 0.000 0.280 302 T C -0.241 174.556 174.700 0.162 0.000 0.995 302 T CA -0.440 61.747 62.100 0.145 0.000 1.009 302 T CB 1.473 70.395 68.868 0.090 0.000 0.955 302 T HN 0.526 8.766 8.240 -0.000 0.000 0.452 303 T N 1.460 116.130 114.554 0.193 0.000 2.847 303 T HA 0.657 5.001 4.350 -0.009 0.000 0.291 303 T C -0.451 174.332 174.700 0.138 0.000 0.998 303 T CA -0.600 61.616 62.100 0.194 0.000 0.967 303 T CB 0.416 69.460 68.868 0.294 0.000 0.954 303 T HN 0.786 9.026 8.240 -0.000 0.000 0.441 304 A N 3.697 126.574 122.820 0.095 0.000 2.303 304 A HA 0.812 5.126 4.320 -0.009 0.000 0.317 304 A C 1.550 179.170 177.584 0.059 0.000 1.149 304 A CA -0.094 51.977 52.037 0.057 0.000 0.822 304 A CB 0.492 19.514 19.000 0.037 0.000 1.131 304 A HN 1.251 9.401 8.150 -0.000 0.000 0.493 305 A N 1.098 123.940 122.820 0.037 0.000 1.849 305 A HA -0.153 4.161 4.320 -0.009 0.000 0.217 305 A C 1.545 179.150 177.584 0.036 0.000 1.202 305 A CA 1.925 53.985 52.037 0.039 0.000 0.629 305 A CB -0.687 18.322 19.000 0.016 0.000 0.834 305 A HN 0.864 9.014 8.150 -0.000 0.000 0.447 306 E N -1.117 119.097 120.200 0.024 0.000 2.511 306 E HA 0.084 4.429 4.350 -0.009 0.000 0.196 306 E C -0.767 175.848 176.600 0.024 0.000 1.066 306 E CA -0.187 56.225 56.400 0.020 0.000 0.871 306 E CB -0.063 29.645 29.700 0.012 0.000 0.863 306 E HN 0.346 8.706 8.360 -0.000 0.000 0.520 307 L N 1.993 123.235 121.223 0.031 0.000 2.289 307 L HA 0.085 4.419 4.340 -0.009 0.000 0.285 307 L C 0.812 177.706 176.870 0.040 0.000 1.049 307 L CA -0.278 54.582 54.840 0.034 0.000 0.804 307 L CB 1.195 43.276 42.059 0.036 0.000 1.195 307 L HN -0.042 8.188 8.230 -0.000 0.000 0.428 308 N N 1.500 120.220 118.700 0.034 0.000 2.575 308 N HA 0.014 4.749 4.740 -0.009 0.000 0.192 308 N C -0.223 175.314 175.510 0.044 0.000 1.200 308 N CA 0.139 53.210 53.050 0.035 0.000 0.897 308 N CB 0.002 38.504 38.487 0.025 0.000 0.990 308 N HN 0.245 8.625 8.380 -0.000 0.000 0.449 309 V N -0.154 119.790 119.914 0.050 0.000 2.962 309 V HA 0.600 4.715 4.120 -0.009 0.000 0.313 309 V C -0.564 175.572 176.094 0.070 0.000 1.099 309 V CA -0.748 61.586 62.300 0.056 0.000 0.971 309 V CB 2.259 34.110 31.823 0.047 0.000 1.028 309 V HN 0.420 8.610 8.190 -0.000 0.000 0.430 310 T N 0.420 115.020 114.554 0.078 0.000 2.887 310 T HA 0.714 5.059 4.350 -0.009 0.000 0.288 310 T C -0.867 173.874 174.700 0.068 0.000 1.021 310 T CA -0.792 61.363 62.100 0.091 0.000 1.000 310 T CB 2.097 71.043 68.868 0.130 0.000 1.034 310 T HN 0.591 8.831 8.240 -0.000 0.000 0.467 311 E N 1.186 121.423 120.200 0.061 0.000 2.183 311 E HA 0.311 4.656 4.350 -0.009 0.000 0.271 311 E C -0.952 175.656 176.600 0.013 0.000 0.919 311 E CA -0.700 55.718 56.400 0.030 0.000 0.781 311 E CB 2.395 32.111 29.700 0.027 0.000 1.140 311 E HN 0.684 9.044 8.360 -0.000 0.000 0.402 312 Q N 3.997 123.768 119.800 -0.050 0.000 2.381 312 Q HA 0.279 4.614 4.340 -0.009 0.000 0.263 312 Q C -1.190 174.706 176.000 -0.172 0.000 1.030 312 Q CA -0.648 55.076 55.803 -0.132 0.000 0.772 312 Q CB 0.639 29.200 28.738 -0.295 0.000 1.232 312 Q HN 0.384 8.654 8.270 -0.000 0.000 0.476 313 I N 4.490 124.982 120.570 -0.130 0.000 2.315 313 I HA 0.266 4.431 4.170 -0.009 0.000 0.291 313 I C -0.045 175.849 176.117 -0.373 0.000 1.006 313 I CA -0.718 60.459 61.300 -0.205 0.000 1.265 313 I CB 1.241 39.158 38.000 -0.139 0.000 1.387 313 I HN 0.382 8.592 8.210 -0.000 0.000 0.475 314 V N 6.954 126.689 119.914 -0.299 0.000 2.461 314 V HA 0.209 4.324 4.120 -0.009 0.000 0.275 314 V C 1.191 177.126 176.094 -0.266 0.000 1.047 314 V CA -0.376 61.800 62.300 -0.207 0.000 0.955 314 V CB 0.775 32.541 31.823 -0.095 0.000 0.988 314 V HN 0.660 8.850 8.190 -0.000 0.000 0.471 315 H N 2.821 121.966 119.070 0.124 0.000 2.557 315 H HA 0.232 4.783 4.556 -0.009 0.000 0.281 315 H C 0.699 176.058 175.328 0.052 0.000 0.990 315 H CA 1.018 57.113 56.048 0.079 0.000 1.278 315 H CB 0.920 30.733 29.762 0.086 0.000 1.451 315 H HN 0.795 9.075 8.280 -0.000 0.000 0.516 316 c N -0.048 118.644 118.600 0.152 0.000 3.314 316 c HA 0.697 5.262 4.570 -0.009 0.000 0.344 316 c C -0.843 173.282 174.090 0.057 0.000 1.461 316 c CA -1.248 55.127 56.329 0.077 0.000 1.249 316 c CB 2.245 44.790 42.510 0.059 0.000 1.632 316 c HN 0.196 8.426 8.230 -0.000 0.000 0.452 317 R N 0.248 120.756 120.500 0.013 0.000 2.445 317 R HA 0.628 4.962 4.340 -0.009 0.000 0.308 317 R C -0.644 175.649 176.300 -0.011 0.000 0.961 317 R CA -0.247 55.858 56.100 0.008 0.000 0.862 317 R CB 1.375 31.653 30.300 -0.038 0.000 1.144 317 R HN 0.876 9.146 8.270 -0.000 0.000 0.447 318 c N 4.241 122.840 118.600 -0.002 0.000 2.657 318 c HA 0.155 4.720 4.570 -0.009 0.000 0.420 318 c C -1.503 172.582 174.090 -0.009 0.000 1.323 318 c CA -0.961 55.360 56.329 -0.014 0.000 1.894 318 c CB -0.482 42.022 42.510 -0.010 0.000 2.681 318 c HN 0.576 8.806 8.230 -0.000 0.000 0.613 319 P HA 0.158 4.578 4.420 -0.000 0.000 0.271 319 P C -0.175 177.128 177.300 0.006 0.000 1.244 319 P CA -0.414 62.681 63.100 -0.009 0.000 0.793 319 P CB 0.382 32.077 31.700 -0.009 0.000 0.984 320 R N 2.591 123.096 120.500 0.008 0.000 2.538 320 R HA -0.130 4.205 4.340 -0.009 0.000 0.273 320 R C 0.698 177.010 176.300 0.020 0.000 0.967 320 R CA 1.147 57.257 56.100 0.016 0.000 1.101 320 R CB -1.180 29.129 30.300 0.015 0.000 0.908 320 R HN 0.750 9.020 8.270 -0.000 0.000 0.411 321 N N 1.476 120.192 118.700 0.026 0.000 2.702 321 N HA -0.294 4.441 4.740 -0.009 0.000 0.255 321 N C -1.301 174.229 175.510 0.034 0.000 0.983 321 N CA 0.770 53.839 53.050 0.031 0.000 0.768 321 N CB -0.926 37.578 38.487 0.027 0.000 0.918 321 N HN 0.436 8.816 8.380 -0.000 0.000 0.540 322 S N -0.208 115.515 115.700 0.037 0.000 2.478 322 S HA 0.547 5.012 4.470 -0.009 0.000 0.312 322 S C -0.279 174.355 174.600 0.058 0.000 1.094 322 S CA -0.591 57.636 58.200 0.044 0.000 1.081 322 S CB 2.039 65.257 63.200 0.031 0.000 1.007 322 S HN 0.246 8.556 8.310 -0.000 0.000 0.475 323 V N 4.621 124.582 119.914 0.079 0.000 2.532 323 V HA 0.521 4.636 4.120 -0.009 0.000 0.295 323 V C 0.879 177.048 176.094 0.126 0.000 1.041 323 V CA -0.606 61.756 62.300 0.104 0.000 0.926 323 V CB 1.785 33.675 31.823 0.112 0.000 0.992 323 V HN 1.048 9.238 8.190 -0.000 0.000 0.457 324 T N 2.384 116.987 114.554 0.082 0.000 2.899 324 T HA 0.564 4.909 4.350 -0.009 0.000 0.295 324 T C -0.715 174.103 174.700 0.197 0.000 1.033 324 T CA -0.176 61.917 62.100 -0.012 0.000 1.084 324 T CB 0.728 69.422 68.868 -0.290 0.000 0.979 324 T HN 0.808 9.048 8.240 -0.000 0.000 0.532 325 Y N 0.237 120.586 120.300 0.082 0.000 2.571 325 Y HA 0.601 5.145 4.550 -0.011 0.000 0.341 325 Y C -1.101 174.808 175.900 0.015 0.000 1.076 325 Y CA -1.851 56.318 58.100 0.116 0.000 1.029 325 Y CB 1.130 39.603 38.460 0.022 0.000 1.308 325 Y HN 0.815 9.095 8.280 -0.000 0.000 0.461 326 L N 2.830 124.039 121.223 -0.024 0.000 2.410 326 L HA 0.223 4.558 4.340 -0.009 0.000 0.273 326 L C 0.571 177.286 176.870 -0.259 0.000 1.144 326 L CA 0.586 55.058 54.840 -0.613 0.000 0.863 326 L CB 1.399 43.195 42.059 -0.438 0.000 1.140 326 L HN 1.148 9.378 8.230 -0.000 0.000 0.463 327 T N 3.599 117.912 114.554 -0.401 0.000 3.019 327 T HA 0.216 4.561 4.350 -0.009 0.000 0.247 327 T C 0.418 175.033 174.700 -0.141 0.000 0.992 327 T CA 0.230 62.238 62.100 -0.154 0.000 1.036 327 T CB 0.282 69.032 68.868 -0.197 0.000 1.063 327 T HN 0.354 8.594 8.240 -0.000 0.000 0.476 328 K N 1.280 121.530 120.400 -0.250 0.000 2.477 328 K HA 0.523 4.838 4.320 -0.009 0.000 0.255 328 K C -1.311 175.113 176.600 -0.295 0.000 0.952 328 K CA -0.674 55.478 56.287 -0.225 0.000 0.826 328 K CB 2.469 34.827 32.500 -0.236 0.000 1.331 328 K HN 0.056 8.306 8.250 -0.000 0.000 0.437 329 R N 1.984 122.321 120.500 -0.272 0.000 2.686 329 R HA 0.309 4.643 4.340 -0.009 0.000 0.286 329 R C -1.023 175.140 176.300 -0.228 0.000 0.969 329 R CA -0.360 55.510 56.100 -0.383 0.000 0.898 329 R CB 1.925 31.936 30.300 -0.482 0.000 1.183 329 R HN 0.907 9.177 8.270 -0.000 0.000 0.456 330 E N 3.098 123.187 120.200 -0.185 0.000 2.372 330 E HA 0.443 4.788 4.350 -0.009 0.000 0.279 330 E C -2.933 173.634 176.600 -0.055 0.000 0.946 330 E CA -2.255 54.093 56.400 -0.086 0.000 0.769 330 E CB 2.427 32.050 29.700 -0.128 0.000 1.230 330 E HN 0.162 8.522 8.360 -0.000 0.000 0.442 331 P HA 0.063 4.483 4.420 -0.000 0.000 0.265 331 P C 0.586 177.791 177.300 -0.158 0.000 1.193 331 P CA 0.073 63.045 63.100 -0.213 0.000 0.765 331 P CB 0.504 32.090 31.700 -0.190 0.000 0.823 332 I N 1.188 121.656 120.570 -0.170 0.000 2.113 332 I HA -0.229 3.936 4.170 -0.009 0.000 0.242 332 I C 1.576 177.643 176.117 -0.083 0.000 1.064 332 I CA 2.399 63.639 61.300 -0.100 0.000 1.320 332 I CB -0.734 37.217 38.000 -0.081 0.000 1.028 332 I HN 0.668 8.879 8.210 -0.000 0.000 0.406 333 G N -0.528 108.216 108.800 -0.094 0.000 2.470 333 G HA2 -0.160 3.795 3.960 -0.009 0.000 0.145 333 G HA3 -0.160 3.795 3.960 -0.009 0.000 0.145 333 G C 0.180 175.042 174.900 -0.064 0.000 1.223 333 G CA 0.162 45.220 45.100 -0.071 0.000 1.058 333 G HN 0.176 8.466 8.290 -0.000 0.000 0.469 334 N N 0.751 119.423 118.700 -0.046 0.000 2.062 334 N HA -0.037 4.698 4.740 -0.009 0.000 0.191 334 N C 1.241 176.729 175.510 -0.038 0.000 1.042 334 N CA 2.324 55.351 53.050 -0.038 0.000 0.845 334 N CB -0.540 37.930 38.487 -0.028 0.000 1.024 334 N HN 0.426 8.806 8.380 -0.000 0.000 0.424 335 D N -0.174 120.206 120.400 -0.032 0.000 2.249 335 D HA 0.073 4.707 4.640 -0.009 0.000 0.205 335 D C -0.403 175.878 176.300 -0.032 0.000 0.962 335 D CA 0.308 54.291 54.000 -0.027 0.000 0.860 335 D CB 0.312 41.101 40.800 -0.018 0.000 0.955 335 D HN 0.184 8.554 8.370 -0.000 0.000 0.505 336 S N 1.560 117.235 115.700 -0.042 0.000 2.437 336 S HA 0.460 4.925 4.470 -0.009 0.000 0.305 336 S C -2.527 172.025 174.600 -0.079 0.000 1.109 336 S CA -1.122 57.050 58.200 -0.047 0.000 1.099 336 S CB 2.128 65.306 63.200 -0.036 0.000 1.004 336 S HN 0.058 8.368 8.310 -0.000 0.000 0.475 337 P HA 0.619 5.039 4.420 -0.000 0.000 0.281 337 P C 0.267 177.486 177.300 -0.135 0.000 1.252 337 P CA 0.088 63.117 63.100 -0.119 0.000 0.778 337 P CB 0.917 32.572 31.700 -0.075 0.000 0.895 338 G N 1.413 110.047 108.800 -0.276 0.000 2.356 338 G HA2 0.319 4.274 3.960 -0.009 0.000 0.288 338 G HA3 0.319 4.274 3.960 -0.009 0.000 0.288 338 G C -2.241 172.351 174.900 -0.512 0.000 1.302 338 G CA -0.640 44.317 45.100 -0.239 0.000 0.887 338 G HN 0.304 8.594 8.290 -0.000 0.000 0.521 339 Y N -0.704 119.579 120.300 -0.029 0.000 2.605 339 Y HA 0.830 5.375 4.550 -0.009 0.000 0.343 339 Y C 0.414 176.223 175.900 -0.151 0.000 1.036 339 Y CA -0.861 57.153 58.100 -0.143 0.000 1.065 339 Y CB 2.580 40.887 38.460 -0.254 0.000 1.288 339 Y HN 0.650 8.930 8.280 -0.000 0.000 0.481 340 R N 1.366 121.808 120.500 -0.096 0.000 2.451 340 R HA 0.473 4.807 4.340 -0.009 0.000 0.307 340 R C -2.226 173.917 176.300 -0.262 0.000 0.965 340 R CA -0.567 55.475 56.100 -0.096 0.000 0.865 340 R CB 0.648 30.904 30.300 -0.074 0.000 1.174 340 R HN 0.668 8.938 8.270 -0.000 0.000 0.455 341 Y N 4.398 124.637 120.300 -0.102 0.000 2.327 341 Y HA 0.344 4.889 4.550 -0.009 0.000 0.336 341 Y C -0.369 175.417 175.900 -0.190 0.000 1.035 341 Y CA -0.670 57.296 58.100 -0.224 0.000 1.165 341 Y CB 1.224 39.483 38.460 -0.335 0.000 1.181 341 Y HN 0.338 8.618 8.280 -0.000 0.000 0.494 342 L N 4.702 125.744 121.223 -0.301 0.000 2.322 342 L HA 0.497 4.831 4.340 -0.009 0.000 0.281 342 L C -1.041 175.518 176.870 -0.518 0.000 1.014 342 L CA -0.965 53.659 54.840 -0.359 0.000 0.815 342 L CB 0.528 42.182 42.059 -0.674 0.000 1.247 342 L HN 0.400 8.630 8.230 -0.000 0.000 0.421 343 F N 1.794 121.553 119.950 -0.319 0.000 2.508 343 F HA 0.844 5.365 4.527 -0.010 0.000 0.325 343 F C 0.409 175.906 175.800 -0.504 0.000 1.090 343 F CA -0.586 57.103 58.000 -0.518 0.000 0.945 343 F CB 1.961 40.434 39.000 -0.879 0.000 1.156 343 F HN 0.529 8.829 8.300 -0.000 0.000 0.463 344 A N 0.635 123.138 122.820 -0.530 0.000 2.437 344 A HA 0.793 5.108 4.320 -0.009 0.000 0.292 344 A C -1.532 175.771 177.584 -0.469 0.000 1.173 344 A CA -0.682 51.054 52.037 -0.501 0.000 0.785 344 A CB 0.877 19.530 19.000 -0.579 0.000 1.351 344 A HN 0.804 8.954 8.150 -0.000 0.000 0.431 345 c N 1.757 120.206 118.600 -0.252 0.000 2.319 345 c HA 0.629 5.194 4.570 -0.009 0.000 0.335 345 c C 1.189 175.338 174.090 0.097 0.000 1.274 345 c CA -0.503 55.780 56.329 -0.077 0.000 1.806 345 c CB 0.054 42.527 42.510 -0.062 0.000 2.329 345 c HN 0.923 9.153 8.230 -0.000 0.000 0.524 346 S N 3.351 119.182 115.700 0.218 0.000 2.558 346 S HA 0.204 4.669 4.470 -0.009 0.000 0.288 346 S C -2.613 172.060 174.600 0.121 0.000 1.318 346 S CA -0.580 57.754 58.200 0.222 0.000 1.056 346 S CB -0.346 62.933 63.200 0.131 0.000 0.853 346 S HN 0.623 8.933 8.310 -0.000 0.000 0.505 347 P HA 0.152 4.572 4.420 -0.000 0.000 0.268 347 P C 0.703 178.033 177.300 0.051 0.000 1.204 347 P CA -0.590 62.567 63.100 0.095 0.000 0.768 347 P CB 0.329 32.088 31.700 0.098 0.000 0.842 348 L N 1.197 122.444 121.223 0.040 0.000 2.095 348 L HA 0.151 4.486 4.340 -0.009 0.000 0.204 348 L C 1.089 177.967 176.870 0.014 0.000 1.080 348 L CA 1.458 56.311 54.840 0.022 0.000 0.759 348 L CB -1.753 40.315 42.059 0.015 0.000 0.914 348 L HN 0.292 8.522 8.230 -0.000 0.000 0.439 349 T N 0.542 115.104 114.554 0.012 0.000 2.918 349 T HA 0.642 4.987 4.350 -0.009 0.000 0.286 349 T C -0.443 174.257 174.700 -0.000 0.000 1.026 349 T CA -0.907 61.194 62.100 0.002 0.000 1.031 349 T CB 1.029 69.895 68.868 -0.004 0.000 1.046 349 T HN 0.454 8.694 8.240 -0.000 0.000 0.479 350 R N 3.728 124.223 120.500 -0.008 0.000 2.229 350 R HA 0.729 5.063 4.340 -0.009 0.000 0.328 350 R C -0.657 175.627 176.300 -0.026 0.000 1.009 350 R CA -0.626 55.466 56.100 -0.015 0.000 0.864 350 R CB 0.373 30.663 30.300 -0.015 0.000 1.085 350 R HN 0.436 8.706 8.270 -0.000 0.000 0.453 351 L N 1.464 122.663 121.223 -0.039 0.000 2.391 351 L HA 0.600 4.934 4.340 -0.009 0.000 0.266 351 L C 0.401 177.237 176.870 -0.057 0.000 1.035 351 L CA -1.667 53.139 54.840 -0.057 0.000 0.877 351 L CB 0.873 42.877 42.059 -0.091 0.000 1.504 351 L HN 0.494 8.724 8.230 -0.000 0.000 0.503 352 R N -0.015 120.446 120.500 -0.065 0.000 2.390 352 R HA 0.281 4.616 4.340 -0.009 0.000 0.291 352 R C -0.974 175.283 176.300 -0.071 0.000 1.070 352 R CA -0.457 55.608 56.100 -0.058 0.000 1.014 352 R CB 0.606 30.874 30.300 -0.054 0.000 1.007 352 R HN 0.542 8.812 8.270 -0.000 0.000 0.466 353 c N 2.609 121.176 118.600 -0.054 0.000 2.539 353 c HA 0.262 4.827 4.570 -0.009 0.000 0.392 353 c C 0.607 174.669 174.090 -0.047 0.000 1.269 353 c CA -0.640 55.661 56.329 -0.046 0.000 2.250 353 c CB 0.598 43.093 42.510 -0.024 0.000 2.584 353 c HN 0.579 8.809 8.230 -0.000 0.000 0.589 354 Q N 1.032 120.813 119.800 -0.032 0.000 2.195 354 Q HA 0.425 4.760 4.340 -0.009 0.000 0.250 354 Q C 0.260 176.268 176.000 0.014 0.000 0.988 354 Q CA -0.550 55.239 55.803 -0.022 0.000 0.911 354 Q CB 0.491 29.215 28.738 -0.023 0.000 1.258 354 Q HN 0.730 9.000 8.270 -0.000 0.000 0.475 355 R N 1.313 121.816 120.500 0.004 0.000 2.619 355 R HA -0.105 4.230 4.340 -0.009 0.000 0.268 355 R C -0.170 176.170 176.300 0.067 0.000 0.990 355 R CA 0.773 56.886 56.100 0.022 0.000 1.092 355 R CB 0.127 30.427 30.300 -0.001 0.000 0.935 355 R HN 0.771 9.041 8.270 -0.000 0.000 0.415 356 K N 0.131 120.591 120.400 0.101 0.000 3.529 356 K HA -0.293 4.022 4.320 -0.009 0.000 0.313 356 K C -0.492 176.284 176.600 0.293 0.000 1.316 356 K CA 1.909 58.280 56.287 0.139 0.000 0.988 356 K CB -0.610 31.925 32.500 0.059 0.000 1.252 356 K HN 0.852 9.102 8.250 -0.000 0.000 0.438 357 Q N 1.225 121.171 119.800 0.243 0.000 2.303 357 Q HA 0.346 4.681 4.340 -0.009 0.000 0.257 357 Q C -2.509 173.550 176.000 0.098 0.000 0.941 357 Q CA -2.357 53.557 55.803 0.185 0.000 0.931 357 Q CB 1.345 30.149 28.738 0.110 0.000 1.215 357 Q HN -0.025 8.245 8.270 -0.000 0.000 0.437 358 P HA 0.034 4.454 4.420 -0.000 0.000 0.271 358 P C 0.096 177.256 177.300 -0.232 0.000 1.216 358 P CA -0.352 62.468 63.100 -0.467 0.000 0.776 358 P CB 0.693 32.128 31.700 -0.442 0.000 0.881 359 c N 0.430 118.887 118.600 -0.237 0.000 2.735 359 c HA 0.443 5.008 4.570 -0.009 0.000 0.271 359 c C 0.607 174.586 174.090 -0.184 0.000 1.281 359 c CA 0.051 56.296 56.329 -0.139 0.000 1.719 359 c CB -1.188 41.280 42.510 -0.070 0.000 2.024 359 c HN 0.405 8.635 8.230 -0.000 0.000 0.566 360 K N 0.181 120.430 120.400 -0.252 0.000 2.525 360 K HA 0.753 5.068 4.320 -0.009 0.000 0.254 360 K C -1.828 174.530 176.600 -0.402 0.000 0.934 360 K CA -0.279 55.794 56.287 -0.358 0.000 0.802 360 K CB 1.383 33.670 32.500 -0.355 0.000 1.295 360 K HN 0.316 8.566 8.250 -0.000 0.000 0.433 361 L N 4.365 125.291 121.223 -0.494 0.000 2.381 361 L HA 0.590 4.925 4.340 -0.009 0.000 0.274 361 L C -1.249 175.392 176.870 -0.381 0.000 0.988 361 L CA -0.652 53.990 54.840 -0.331 0.000 0.824 361 L CB 1.010 42.890 42.059 -0.298 0.000 1.263 361 L HN 0.558 8.788 8.230 -0.000 0.000 0.410 362 F N 1.217 121.211 119.950 0.074 0.000 2.415 362 F HA 0.458 4.981 4.527 -0.007 0.000 0.348 362 F C 0.440 176.331 175.800 0.152 0.000 1.119 362 F CA -0.546 57.531 58.000 0.127 0.000 1.069 362 F CB 1.835 40.946 39.000 0.186 0.000 1.124 362 F HN 0.234 8.534 8.300 -0.000 0.000 0.472 363 T N 3.581 118.289 114.554 0.257 0.000 2.809 363 T HA 0.450 4.794 4.350 -0.009 0.000 0.296 363 T C -0.494 174.315 174.700 0.182 0.000 1.015 363 T CA -0.551 61.668 62.100 0.197 0.000 0.954 363 T CB 1.003 69.970 68.868 0.165 0.000 0.950 363 T HN 0.222 8.462 8.240 -0.000 0.000 0.450 364 V N 5.378 125.388 119.914 0.160 0.000 2.350 364 V HA 0.438 4.553 4.120 -0.009 0.000 0.276 364 V C 0.338 176.479 176.094 0.078 0.000 1.028 364 V CA -0.780 61.589 62.300 0.115 0.000 0.860 364 V CB 0.911 32.786 31.823 0.086 0.000 0.990 364 V HN 0.697 8.887 8.190 -0.000 0.000 0.453 365 R N 3.703 124.238 120.500 0.060 0.000 2.338 365 R HA 0.461 4.796 4.340 -0.009 0.000 0.317 365 R C -0.510 175.792 176.300 0.004 0.000 0.968 365 R CA -0.770 55.341 56.100 0.019 0.000 0.849 365 R CB 1.883 32.177 30.300 -0.011 0.000 1.128 365 R HN 0.564 8.834 8.270 -0.000 0.000 0.448 366 K N 3.348 123.742 120.400 -0.010 0.000 2.220 366 K HA 0.135 4.450 4.320 -0.009 0.000 0.283 366 K C 0.876 177.450 176.600 -0.044 0.000 1.098 366 K CA -0.366 55.912 56.287 -0.016 0.000 0.928 366 K CB 0.771 33.260 32.500 -0.018 0.000 1.214 366 K HN 0.245 8.495 8.250 -0.000 0.000 0.442 367 R N 1.782 122.253 120.500 -0.047 0.000 2.092 367 R HA -0.099 4.235 4.340 -0.009 0.000 0.231 367 R C 0.794 177.077 176.300 -0.029 0.000 1.119 367 R CA 1.387 57.439 56.100 -0.081 0.000 0.970 367 R CB -0.105 30.147 30.300 -0.081 0.000 0.864 367 R HN 0.802 9.072 8.270 -0.000 0.000 0.440 368 Q N -2.907 116.884 119.800 -0.014 0.000 2.854 368 Q HA 0.201 4.536 4.340 -0.009 0.000 0.328 368 Q C 0.203 176.140 176.000 -0.105 0.000 0.808 368 Q CA -0.721 55.059 55.803 -0.038 0.000 0.817 368 Q CB 0.707 29.447 28.738 0.003 0.000 1.377 368 Q HN -0.158 8.112 8.270 -0.000 0.000 0.497 369 E N 0.034 120.099 120.200 -0.224 0.000 2.114 369 E HA -0.148 4.197 4.350 -0.009 0.000 0.199 369 E C 0.103 176.345 176.600 -0.596 0.000 1.008 369 E CA 1.941 58.020 56.400 -0.535 0.000 0.810 369 E CB -0.014 29.180 29.700 -0.844 0.000 0.739 369 E HN 0.470 8.830 8.360 -0.000 0.000 0.456 370 F N -0.515 119.454 119.950 0.031 0.000 2.814 370 F HA 0.284 4.806 4.527 -0.009 0.000 0.326 370 F C -0.561 175.263 175.800 0.040 0.000 1.159 370 F CA -0.853 57.166 58.000 0.032 0.000 1.234 370 F CB 1.211 40.227 39.000 0.028 0.000 1.016 370 F HN -0.068 8.232 8.300 -0.000 0.000 0.510 371 L N 1.434 122.750 121.223 0.156 0.000 2.482 371 L HA 0.552 4.887 4.340 -0.009 0.000 0.269 371 L C -1.539 175.383 176.870 0.087 0.000 0.967 371 L CA -0.391 54.526 54.840 0.129 0.000 0.851 371 L CB 1.002 43.140 42.059 0.132 0.000 1.242 371 L HN -0.114 8.116 8.230 -0.000 0.000 0.404 372 D N 3.664 124.120 120.400 0.093 0.000 2.350 372 D HA 0.424 5.059 4.640 -0.009 0.000 0.245 372 D C -0.994 175.358 176.300 0.087 0.000 1.036 372 D CA -0.157 53.890 54.000 0.079 0.000 0.848 372 D CB 2.459 43.314 40.800 0.092 0.000 1.307 372 D HN 0.576 8.946 8.370 -0.000 0.000 0.469 373 E N 1.133 121.376 120.200 0.073 0.000 2.191 373 E HA 0.432 4.777 4.350 -0.009 0.000 0.263 373 E C -1.601 175.061 176.600 0.103 0.000 0.881 373 E CA -0.725 55.727 56.400 0.086 0.000 0.757 373 E CB 1.491 31.225 29.700 0.057 0.000 1.147 373 E HN 0.068 8.428 8.360 -0.000 0.000 0.414 374 V N 5.384 125.377 119.914 0.131 0.000 2.334 374 V HA 0.271 4.386 4.120 -0.009 0.000 0.281 374 V C -0.035 176.157 176.094 0.163 0.000 1.016 374 V CA -0.880 61.522 62.300 0.170 0.000 0.832 374 V CB 1.239 33.198 31.823 0.227 0.000 0.999 374 V HN 0.688 8.878 8.190 -0.000 0.000 0.439 375 N N 3.878 122.667 118.700 0.148 0.000 2.472 375 N HA 0.456 5.191 4.740 -0.009 0.000 0.277 375 N C -0.776 174.787 175.510 0.088 0.000 1.081 375 N CA -0.330 52.788 53.050 0.113 0.000 0.973 375 N CB 2.447 40.996 38.487 0.104 0.000 1.105 375 N HN 0.635 9.015 8.380 -0.000 0.000 0.470 376 I N 2.087 122.674 120.570 0.029 0.000 2.411 376 I HA 0.274 4.438 4.170 -0.009 0.000 0.284 376 I C -1.150 174.866 176.117 -0.169 0.000 1.012 376 I CA -0.521 60.712 61.300 -0.111 0.000 1.119 376 I CB 0.622 38.594 38.000 -0.048 0.000 1.261 376 I HN 0.305 8.515 8.210 -0.000 0.000 0.448 377 N N 4.599 123.139 118.700 -0.267 0.000 2.422 377 N HA 0.339 5.074 4.740 -0.009 0.000 0.266 377 N C -0.881 174.444 175.510 -0.307 0.000 1.007 377 N CA -0.294 52.599 53.050 -0.263 0.000 0.941 377 N CB 1.357 39.640 38.487 -0.340 0.000 1.115 377 N HN 0.576 8.956 8.380 -0.000 0.000 0.492 378 S N 2.989 118.565 115.700 -0.207 0.000 2.411 378 S HA 0.289 4.753 4.470 -0.009 0.000 0.294 378 S C 0.915 175.428 174.600 -0.145 0.000 1.115 378 S CA -0.583 57.513 58.200 -0.173 0.000 1.071 378 S CB 0.071 63.206 63.200 -0.108 0.000 0.967 378 S HN 0.506 8.816 8.310 -0.000 0.000 0.488 379 L N 3.947 125.075 121.223 -0.158 0.000 2.200 379 L HA 0.276 4.611 4.340 -0.009 0.000 0.200 379 L C 0.887 177.733 176.870 -0.040 0.000 1.072 379 L CA 0.077 54.855 54.840 -0.104 0.000 0.787 379 L CB -0.076 41.909 42.059 -0.124 0.000 0.957 379 L HN 0.798 9.028 8.230 -0.000 0.000 0.459 380 c N -2.970 115.600 118.600 -0.051 0.000 3.323 380 c HA 0.611 5.176 4.570 -0.009 0.000 0.324 380 c C -0.418 173.651 174.090 -0.036 0.000 1.428 380 c CA -1.037 55.270 56.329 -0.037 0.000 1.368 380 c CB 1.325 43.813 42.510 -0.035 0.000 1.731 380 c HN 0.238 8.468 8.230 -0.000 0.000 0.455 381 Q N 0.635 120.417 119.800 -0.030 0.000 2.349 381 Q HA 0.456 4.791 4.340 -0.009 0.000 0.254 381 Q C -0.390 175.602 176.000 -0.013 0.000 0.980 381 Q CA 0.054 55.846 55.803 -0.019 0.000 0.924 381 Q CB 0.191 28.918 28.738 -0.017 0.000 1.209 381 Q HN 0.865 9.135 8.270 -0.000 0.000 0.445 382 c N 7.987 126.589 118.600 0.003 0.000 2.634 382 c HA 0.242 4.807 4.570 -0.009 0.000 0.418 382 c C -1.710 172.395 174.090 0.025 0.000 1.373 382 c CA -0.854 55.487 56.329 0.020 0.000 1.756 382 c CB -0.586 41.962 42.510 0.062 0.000 2.589 382 c HN 0.779 9.009 8.230 -0.000 0.000 0.602 383 P HA 0.036 4.456 4.420 -0.000 0.000 0.269 383 P C -0.438 176.914 177.300 0.086 0.000 1.217 383 P CA -0.008 63.095 63.100 0.006 0.000 0.783 383 P CB 0.424 32.081 31.700 -0.073 0.000 0.898 384 K N 0.746 121.191 120.400 0.076 0.000 2.527 384 K HA 0.092 4.407 4.320 -0.009 0.000 0.278 384 K C 1.441 178.148 176.600 0.177 0.000 0.981 384 K CA 1.244 57.586 56.287 0.092 0.000 1.009 384 K CB -0.722 31.811 32.500 0.056 0.000 0.895 384 K HN 0.922 9.172 8.250 -0.000 0.000 0.493 385 G N 2.035 110.902 108.800 0.112 0.000 2.148 385 G HA2 -0.242 3.712 3.960 -0.009 0.000 0.254 385 G HA3 -0.242 3.712 3.960 -0.009 0.000 0.254 385 G C -0.390 174.426 174.900 -0.141 0.000 0.981 385 G CA 0.495 45.616 45.100 0.034 0.000 0.670 385 G HN 0.718 9.008 8.290 -0.000 0.000 0.528 386 H N -0.874 118.204 119.070 0.013 0.000 2.980 386 H HA 0.807 5.358 4.556 -0.008 0.000 0.367 386 H C 0.210 175.549 175.328 0.018 0.000 1.206 386 H CA -0.465 55.594 56.048 0.018 0.000 1.126 386 H CB 1.307 31.082 29.762 0.022 0.000 1.838 386 H HN 0.518 8.798 8.280 -0.000 0.000 0.552 387 R N 0.806 121.384 120.500 0.129 0.000 2.740 387 R HA 0.669 5.004 4.340 -0.009 0.000 0.273 387 R C -1.278 175.073 176.300 0.086 0.000 0.998 387 R CA -0.772 55.378 56.100 0.083 0.000 0.900 387 R CB 1.142 31.470 30.300 0.047 0.000 1.223 387 R HN 0.565 8.835 8.270 -0.000 0.000 0.466 388 c N 2.606 121.246 118.600 0.067 0.000 2.388 388 c HA 0.505 5.070 4.570 -0.009 0.000 0.362 388 c C -1.910 172.225 174.090 0.075 0.000 1.266 388 c CA -1.400 54.968 56.329 0.065 0.000 2.028 388 c CB 0.221 42.749 42.510 0.030 0.000 2.440 388 c HN 0.637 8.867 8.230 -0.000 0.000 0.547 389 P HA 0.070 4.490 4.420 -0.000 0.000 0.267 389 P C 0.265 177.665 177.300 0.166 0.000 1.201 389 P CA 0.372 63.520 63.100 0.079 0.000 0.775 389 P CB 0.599 32.333 31.700 0.057 0.000 0.854 390 S N -0.099 115.678 115.700 0.129 0.000 2.497 390 S HA 0.047 4.512 4.470 -0.009 0.000 0.218 390 S C 0.635 175.436 174.600 0.334 0.000 1.023 390 S CA 0.007 58.349 58.200 0.237 0.000 0.913 390 S CB -0.438 62.880 63.200 0.196 0.000 0.800 390 S HN 0.693 9.003 8.310 -0.000 0.000 0.505 391 H N -0.098 118.973 119.070 0.001 0.000 2.946 391 H HA 0.389 4.940 4.556 -0.009 0.000 0.365 391 H C 0.603 175.437 175.328 -0.822 0.000 1.197 391 H CA -0.195 55.661 56.048 -0.319 0.000 1.131 391 H CB 0.256 29.859 29.762 -0.266 0.000 1.849 391 H HN 0.292 8.572 8.280 -0.000 0.000 0.555 392 H N 0.360 118.772 119.070 -1.097 0.000 2.529 392 H HA -0.033 4.518 4.556 -0.009 0.000 0.277 392 H C 0.585 175.470 175.328 -0.737 0.000 0.999 392 H CA 1.339 56.614 56.048 -1.289 0.000 1.256 392 H CB -0.157 28.777 29.762 -1.381 0.000 1.402 392 H HN 0.596 8.876 8.280 -0.000 0.000 0.566 393 T N -2.145 112.012 114.554 -0.662 0.000 3.081 393 T HA 0.015 4.359 4.350 -0.009 0.000 0.250 393 T C 0.983 175.522 174.700 -0.269 0.000 1.100 393 T CA -0.339 61.568 62.100 -0.322 0.000 1.038 393 T CB 0.324 69.073 68.868 -0.198 0.000 0.962 393 T HN 0.334 8.574 8.240 -0.000 0.000 0.516 394 Q N 2.443 121.888 119.800 -0.592 0.000 2.524 394 Q HA 0.238 4.573 4.340 -0.009 0.000 0.246 394 Q C 0.053 175.926 176.000 -0.211 0.000 1.063 394 Q CA -0.312 55.205 55.803 -0.477 0.000 0.945 394 Q CB 0.551 28.806 28.738 -0.805 0.000 1.292 394 Q HN 0.588 8.858 8.270 -0.000 0.000 0.518 395 S N 0.490 116.127 115.700 -0.106 0.000 2.592 395 S HA 0.518 4.983 4.470 -0.009 0.000 0.271 395 S C 0.770 175.367 174.600 -0.004 0.000 1.326 395 S CA -0.115 58.064 58.200 -0.035 0.000 1.024 395 S CB 1.292 64.485 63.200 -0.012 0.000 0.921 395 S HN 1.168 9.478 8.310 -0.000 0.000 0.527 396 G N 0.004 108.826 108.800 0.037 0.000 2.141 396 G HA2 -0.172 3.783 3.960 -0.009 0.000 0.242 396 G HA3 -0.172 3.783 3.960 -0.009 0.000 0.242 396 G C -0.174 174.824 174.900 0.164 0.000 0.982 396 G CA -0.026 45.131 45.100 0.094 0.000 0.662 396 G HN 1.229 9.519 8.290 -0.000 0.000 0.527 397 V N 1.155 121.142 119.914 0.122 0.000 2.588 397 V HA 0.778 4.893 4.120 -0.009 0.000 0.304 397 V C 0.200 176.409 176.094 0.191 0.000 1.042 397 V CA -0.458 61.953 62.300 0.185 0.000 0.877 397 V CB 1.665 33.539 31.823 0.085 0.000 0.996 397 V HN 0.767 8.957 8.190 -0.000 0.000 0.425 398 I N 1.698 122.425 120.570 0.261 0.000 2.846 398 I HA 0.972 5.137 4.170 -0.009 0.000 0.307 398 I C 0.274 176.540 176.117 0.249 0.000 1.053 398 I CA -1.085 60.345 61.300 0.217 0.000 1.050 398 I CB 1.808 39.899 38.000 0.151 0.000 1.239 398 I HN 0.617 8.827 8.210 -0.000 0.000 0.439 399 A N 2.775 125.699 122.820 0.173 0.000 2.454 399 A HA 0.650 4.965 4.320 -0.009 0.000 0.260 399 A C 0.750 178.320 177.584 -0.023 0.000 1.106 399 A CA 0.354 52.400 52.037 0.015 0.000 0.780 399 A CB -0.529 18.454 19.000 -0.028 0.000 1.044 399 A HN 1.125 9.275 8.150 -0.000 0.000 0.498 400 G N 1.326 110.074 108.800 -0.087 0.000 2.964 400 G HA2 0.410 4.364 3.960 -0.009 0.000 0.191 400 G HA3 0.410 4.364 3.960 -0.009 0.000 0.191 400 G C -0.128 174.726 174.900 -0.076 0.000 1.978 400 G CA -0.145 44.930 45.100 -0.041 0.000 0.861 400 G HN 0.654 8.944 8.290 -0.000 0.000 0.584 401 E N 0.452 120.609 120.200 -0.071 0.000 2.191 401 E HA 0.526 4.871 4.350 -0.009 0.000 0.274 401 E C -1.000 175.597 176.600 -0.005 0.000 0.948 401 E CA -0.557 55.827 56.400 -0.027 0.000 0.802 401 E CB 1.813 31.519 29.700 0.010 0.000 1.137 401 E HN 0.123 8.483 8.360 -0.000 0.000 0.397 402 S N 2.176 117.901 115.700 0.041 0.000 2.312 402 S HA 0.199 4.663 4.470 -0.009 0.000 0.211 402 S C 0.031 174.720 174.600 0.149 0.000 1.315 402 S CA -0.601 57.623 58.200 0.041 0.000 1.267 402 S CB -0.625 62.567 63.200 -0.012 0.000 1.072 402 S HN 0.443 8.753 8.310 -0.000 0.000 0.490 403 F N 2.599 122.545 119.950 -0.006 0.000 2.495 403 F HA 0.002 4.524 4.527 -0.008 0.000 0.339 403 F C 0.859 176.612 175.800 -0.078 0.000 1.226 403 F CA -0.453 57.480 58.000 -0.111 0.000 0.998 403 F CB 0.064 38.908 39.000 -0.260 0.000 1.180 403 F HN 0.287 8.587 8.300 -0.000 0.000 0.611 404 L N 3.726 124.863 121.223 -0.143 0.000 2.201 404 L HA -0.174 4.161 4.340 -0.009 0.000 0.212 404 L C 2.432 179.069 176.870 -0.389 0.000 1.105 404 L CA 1.044 55.758 54.840 -0.209 0.000 0.775 404 L CB -0.731 41.273 42.059 -0.091 0.000 0.913 404 L HN 0.554 8.784 8.230 -0.000 0.000 0.440 405 E N 0.400 120.165 120.200 -0.724 0.000 2.049 405 E HA -0.255 4.090 4.350 -0.009 0.000 0.198 405 E C 1.085 177.372 176.600 -0.521 0.000 1.007 405 E CA 1.583 57.593 56.400 -0.649 0.000 0.809 405 E CB -0.020 29.198 29.700 -0.802 0.000 0.749 405 E HN 0.461 8.821 8.360 -0.000 0.000 0.450 406 D N 0.401 120.390 120.400 -0.685 0.000 2.328 406 D HA -0.026 4.608 4.640 -0.009 0.000 0.226 406 D C 0.167 176.367 176.300 -0.166 0.000 1.066 406 D CA 0.009 53.842 54.000 -0.277 0.000 0.861 406 D CB -0.275 40.454 40.800 -0.118 0.000 0.912 406 D HN 0.113 8.483 8.370 -0.000 0.000 0.521 407 N N 0.723 119.303 118.700 -0.200 0.000 2.740 407 N HA -0.182 4.553 4.740 -0.009 0.000 0.248 407 N C -0.359 175.117 175.510 -0.058 0.000 1.062 407 N CA 0.393 53.376 53.050 -0.111 0.000 0.704 407 N CB -1.387 37.051 38.487 -0.081 0.000 0.968 407 N HN 0.479 8.859 8.380 -0.000 0.000 0.547 408 I N -2.362 118.182 120.570 -0.044 0.000 2.648 408 I HA 0.709 4.874 4.170 -0.009 0.000 0.304 408 I C -0.098 176.033 176.117 0.022 0.000 1.009 408 I CA -0.925 60.392 61.300 0.027 0.000 1.114 408 I CB 2.068 40.132 38.000 0.106 0.000 1.293 408 I HN -0.013 8.197 8.210 -0.000 0.000 0.449 409 Q N 3.908 123.710 119.800 0.004 0.000 2.263 409 Q HA 0.442 4.776 4.340 -0.009 0.000 0.266 409 Q C -1.260 174.630 176.000 -0.184 0.000 1.002 409 Q CA -0.422 55.317 55.803 -0.105 0.000 0.790 409 Q CB 1.886 30.549 28.738 -0.125 0.000 1.272 409 Q HN 0.920 9.190 8.270 -0.000 0.000 0.435 410 T N 0.931 115.341 114.554 -0.240 0.000 2.902 410 T HA 0.746 5.091 4.350 -0.009 0.000 0.283 410 T C -0.751 173.728 174.700 -0.368 0.000 1.009 410 T CA -0.351 61.659 62.100 -0.150 0.000 1.051 410 T CB 0.736 69.598 68.868 -0.009 0.000 0.999 410 T HN 0.440 8.680 8.240 -0.000 0.000 0.474 411 Y N 0.021 120.399 120.300 0.130 0.000 2.457 411 Y HA 0.547 5.091 4.550 -0.009 0.000 0.343 411 Y C 0.091 176.130 175.900 0.231 0.000 0.994 411 Y CA -1.007 57.195 58.100 0.170 0.000 1.031 411 Y CB 2.536 41.096 38.460 0.167 0.000 1.246 411 Y HN 0.774 9.054 8.280 -0.000 0.000 0.449 412 S N 1.247 117.135 115.700 0.313 0.000 2.475 412 S HA 0.778 5.243 4.470 -0.009 0.000 0.298 412 S C -0.000 174.705 174.600 0.175 0.000 1.119 412 S CA -0.886 57.409 58.200 0.158 0.000 1.085 412 S CB 1.617 64.846 63.200 0.049 0.000 1.028 412 S HN 0.903 9.213 8.310 -0.000 0.000 0.489 413 G N 1.177 109.987 108.800 0.017 0.000 2.416 413 G HA2 0.666 4.621 3.960 -0.009 0.000 0.329 413 G HA3 0.666 4.621 3.960 -0.009 0.000 0.329 413 G C -1.617 173.178 174.900 -0.175 0.000 1.173 413 G CA -0.489 44.675 45.100 0.107 0.000 0.929 413 G HN 0.572 8.862 8.290 -0.000 0.000 0.475 414 Y N -0.339 120.015 120.300 0.090 0.000 2.562 414 Y HA 0.378 4.923 4.550 -0.009 0.000 0.343 414 Y C 0.630 176.569 175.900 0.064 0.000 1.025 414 Y CA -0.784 57.354 58.100 0.064 0.000 1.082 414 Y CB 1.757 40.251 38.460 0.057 0.000 1.264 414 Y HN 0.544 8.824 8.280 -0.000 0.000 0.478 415 c N 2.787 121.508 118.600 0.202 0.000 2.634 415 c HA 0.270 4.835 4.570 -0.009 0.000 0.418 415 c C 0.294 174.516 174.090 0.221 0.000 1.373 415 c CA -0.116 56.309 56.329 0.160 0.000 1.756 415 c CB -1.432 41.131 42.510 0.089 0.000 2.589 415 c HN 0.569 8.799 8.230 -0.000 0.000 0.602 416 M N 3.199 122.928 119.600 0.216 0.000 2.528 416 M HA 0.573 5.048 4.480 -0.009 0.000 0.321 416 M C 0.150 176.516 176.300 0.110 0.000 1.153 416 M CA -0.216 55.190 55.300 0.176 0.000 0.951 416 M CB 1.444 34.100 32.600 0.094 0.000 1.705 416 M HN 0.754 9.044 8.290 -0.000 0.000 0.451 417 A N 3.377 126.197 122.820 -0.000 0.000 2.566 417 A HA 0.159 4.474 4.320 -0.009 0.000 0.245 417 A C 0.021 177.485 177.584 -0.200 0.000 1.056 417 A CA -0.044 51.826 52.037 -0.278 0.000 0.757 417 A CB -0.692 18.226 19.000 -0.138 0.000 0.979 417 A HN 0.852 9.002 8.150 -0.000 0.000 0.508 418 N N 2.645 121.182 118.700 -0.271 0.000 2.407 418 N HA 0.147 4.882 4.740 -0.009 0.000 0.250 418 N C 0.073 175.534 175.510 -0.082 0.000 1.236 418 N CA 1.078 54.049 53.050 -0.132 0.000 0.879 418 N CB -0.044 38.370 38.487 -0.122 0.000 1.088 418 N HN 0.756 9.136 8.380 -0.000 0.000 0.450 419 D N 0.000 120.373 120.400 -0.045 0.000 6.856 419 D HA 0.000 4.635 4.640 -0.009 0.000 0.175 419 D CA 0.000 53.983 54.000 -0.029 0.000 0.868 419 D CB 0.000 40.783 40.800 -0.028 0.000 0.688 419 D HN 0.000 8.370 8.370 -0.000 0.000 0.683