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 1cmz_1_A DATA FIRST_RESID 79 DATA SEQUENCE PSPEEVQSWA QSFDKLMHSP AGRSVFRAFL RTEYSEENML FWLACEELKA DATA SEQUENCE EANQHVVDEK ARLIYEDYVS ILSPKEVSLD SRVREGINKK MQEPSAHTFD DATA SEQUENCE DAQLQIYTLM HRDSYPRFLS SPTYRALL 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 79 P HA 0.000 4.395 4.420 -0.042 0.000 0.216 79 P C 0.000 177.238 177.300 -0.103 0.000 1.155 79 P CA 0.000 63.071 63.100 -0.048 0.000 0.800 79 P CB 0.000 31.701 31.700 0.002 0.000 0.726 80 S N 2.563 118.182 115.700 -0.135 0.000 2.693 80 S HA 0.321 4.723 4.470 -0.113 0.000 0.276 80 S C -1.067 173.415 174.600 -0.197 0.000 1.192 80 S CA -1.875 56.243 58.200 -0.137 0.000 0.994 80 S CB 1.627 64.763 63.200 -0.107 0.000 1.012 80 S HN -0.454 7.992 8.310 -0.138 -0.218 0.550 81 P HA -0.081 4.204 4.420 -0.225 0.000 0.231 81 P C 0.572 177.750 177.300 -0.203 0.000 1.154 81 P CA 1.600 64.587 63.100 -0.188 0.000 0.762 81 P CB 0.108 31.726 31.700 -0.137 0.000 0.790 82 E N -0.789 119.281 120.200 -0.217 0.000 2.042 82 E HA -0.232 4.018 4.350 -0.168 0.000 0.189 82 E C 1.965 178.333 176.600 -0.386 0.000 0.974 82 E CA 3.423 59.690 56.400 -0.221 0.000 0.806 82 E CB -0.191 29.409 29.700 -0.167 0.000 0.769 82 E HN 0.438 8.532 8.360 -0.205 0.143 0.451 83 E N -0.609 119.246 120.200 -0.574 0.000 2.118 83 E HA -0.281 3.297 4.350 -1.286 0.000 0.195 83 E C 2.788 178.541 176.600 -1.412 0.000 0.992 83 E CA 3.203 58.824 56.400 -1.297 0.000 0.804 83 E CB -0.572 28.311 29.700 -1.362 0.000 0.741 83 E HN -0.412 7.684 8.360 -0.441 0.000 0.458 84 V N -0.644 118.856 119.914 -0.689 0.000 2.283 84 V HA -0.372 3.768 4.120 0.034 0.000 0.243 84 V C 2.179 178.256 176.094 -0.029 0.000 1.039 84 V CA 4.315 66.464 62.300 -0.253 0.000 1.016 84 V CB -0.322 31.286 31.823 -0.358 0.000 0.650 84 V HN -0.774 7.056 8.190 -0.569 0.018 0.449 85 Q N -2.567 117.166 119.800 -0.111 0.000 2.224 85 Q HA -0.262 4.112 4.340 0.057 0.000 0.203 85 Q C 2.143 178.142 176.000 -0.002 0.000 0.970 85 Q CA 2.284 58.077 55.803 -0.017 0.000 0.865 85 Q CB -0.376 28.331 28.738 -0.051 0.000 0.922 85 Q HN -0.007 8.018 8.270 -0.193 0.129 0.445 86 S N -0.746 114.896 115.700 -0.098 0.000 2.377 86 S HA -0.129 4.352 4.470 0.019 0.000 0.223 86 S C 1.804 176.492 174.600 0.147 0.000 1.030 86 S CA 3.178 61.360 58.200 -0.029 0.000 0.970 86 S CB 0.437 63.560 63.200 -0.129 0.000 0.830 86 S HN 0.520 8.547 8.310 -0.226 0.147 0.473 87 W N -0.342 121.012 121.300 0.091 0.000 2.699 87 W HA 0.101 4.772 4.660 0.019 0.000 0.249 87 W C 1.153 177.721 176.519 0.081 0.000 1.280 87 W CA 0.362 57.747 57.345 0.067 0.000 1.345 87 W CB -1.246 28.272 29.460 0.096 0.000 1.128 87 W HN -0.175 7.804 8.180 -0.149 0.110 0.642 88 A N -4.962 118.029 122.820 0.285 0.000 2.238 88 A HA 0.156 4.525 4.320 0.082 0.000 0.210 88 A C 0.315 177.995 177.584 0.161 0.000 1.179 88 A CA 0.752 52.876 52.037 0.145 0.000 0.827 88 A CB 0.075 19.131 19.000 0.093 0.000 0.856 88 A HN -0.665 7.590 8.150 0.256 0.049 0.488 89 Q N -2.513 117.389 119.800 0.170 0.000 2.392 89 Q HA 0.070 4.490 4.340 0.133 0.000 0.219 89 Q C 0.651 176.753 176.000 0.169 0.000 0.895 89 Q CA 0.262 56.151 55.803 0.144 0.000 0.929 89 Q CB 1.305 30.105 28.738 0.105 0.000 1.077 89 Q HN -0.286 7.935 8.270 0.181 0.158 0.532 90 S N -2.166 113.653 115.700 0.197 0.000 2.550 90 S HA 0.172 4.759 4.470 0.194 0.000 0.270 90 S C -1.544 173.174 174.600 0.197 0.000 1.145 90 S CA -0.816 57.501 58.200 0.195 0.000 0.852 90 S CB 2.239 65.538 63.200 0.166 0.000 1.119 90 S HN -0.664 7.776 8.310 0.216 0.000 0.465 91 F N 3.953 123.938 119.950 0.057 0.000 2.317 91 F HA 0.052 4.552 4.527 -0.045 0.000 0.293 91 F C 1.578 177.373 175.800 -0.007 0.000 1.085 91 F CA 1.950 59.931 58.000 -0.031 0.000 1.390 91 F CB 1.006 39.952 39.000 -0.090 0.000 1.077 91 F HN 0.464 8.942 8.300 0.296 0.000 0.517 92 D N 1.460 122.045 120.400 0.308 0.000 2.127 92 D HA -0.456 4.314 4.640 0.217 0.000 0.190 92 D C 1.886 178.301 176.300 0.192 0.000 1.000 92 D CA 3.961 58.097 54.000 0.226 0.000 0.839 92 D CB 0.005 40.922 40.800 0.195 0.000 0.955 92 D HN 0.100 8.642 8.370 0.286 0.000 0.446 93 K N -2.217 118.303 120.400 0.200 0.000 2.228 93 K HA -0.417 4.045 4.320 0.237 0.000 0.205 93 K C 2.218 178.893 176.600 0.126 0.000 1.045 93 K CA 2.737 59.172 56.287 0.247 0.000 0.931 93 K CB -0.187 32.518 32.500 0.341 0.000 0.727 93 K HN -0.709 7.662 8.250 0.201 0.000 0.458 94 L N -1.345 119.786 121.223 -0.152 0.000 2.072 94 L HA -0.218 3.289 4.340 -1.389 0.000 0.205 94 L C 1.545 178.117 176.870 -0.498 0.000 1.079 94 L CA 2.933 57.336 54.840 -0.728 0.000 0.752 94 L CB 0.520 42.002 42.059 -0.963 0.000 0.906 94 L HN 0.037 8.058 8.230 -0.054 0.177 0.436 95 M N -4.740 114.722 119.600 -0.231 0.000 2.492 95 M HA -0.047 4.232 4.480 -0.335 0.000 0.255 95 M C 1.175 177.487 176.300 0.019 0.000 1.139 95 M CA 0.126 55.290 55.300 -0.228 0.000 1.096 95 M CB -0.305 32.062 32.600 -0.387 0.000 1.360 95 M HN -0.497 7.649 8.290 -0.087 0.092 0.480 96 H N 1.306 120.381 119.070 0.008 0.000 2.610 96 H HA 0.098 4.717 4.556 0.105 0.000 0.302 96 H C -1.708 173.669 175.328 0.082 0.000 1.063 96 H CA -0.670 55.424 56.048 0.076 0.000 1.159 96 H CB -0.688 29.126 29.762 0.086 0.000 1.427 96 H HN 0.101 8.475 8.280 0.157 0.000 0.553 97 S N -2.813 113.014 115.700 0.213 0.000 2.537 97 S HA 0.386 4.976 4.470 0.200 0.000 0.270 97 S C -1.683 172.993 174.600 0.126 0.000 1.142 97 S CA -2.858 55.454 58.200 0.186 0.000 0.870 97 S CB 1.415 64.763 63.200 0.246 0.000 1.112 97 S HN -0.718 7.558 8.310 0.117 0.104 0.466 98 P HA -0.086 4.393 4.420 0.099 0.000 0.215 98 P C 1.010 178.374 177.300 0.107 0.000 1.157 98 P CA 2.146 65.312 63.100 0.110 0.000 0.859 98 P CB 0.163 31.928 31.700 0.109 0.000 0.786 99 A N -3.942 118.979 122.820 0.168 0.000 1.972 99 A HA -0.112 4.312 4.320 0.174 0.000 0.219 99 A C 2.236 179.900 177.584 0.133 0.000 1.169 99 A CA 2.507 54.679 52.037 0.224 0.000 0.635 99 A CB -0.571 18.637 19.000 0.347 0.000 0.810 99 A HN 0.034 8.301 8.150 0.194 0.000 0.446 100 G N -1.687 107.063 108.800 -0.083 0.000 2.484 100 G HA2 -0.356 2.624 3.960 -1.634 0.000 0.215 100 G HA3 -0.356 3.134 3.960 -1.057 -0.164 0.215 100 G C 1.181 175.826 174.900 -0.424 0.000 1.219 100 G CA 1.648 46.243 45.100 -0.843 0.000 0.791 100 G HN -0.636 7.681 8.290 0.077 0.019 0.550 101 R N 0.439 120.797 120.500 -0.237 0.000 2.226 101 R HA -0.375 3.885 4.340 -0.133 0.000 0.246 101 R C 2.564 178.872 176.300 0.013 0.000 1.161 101 R CA 2.991 59.036 56.100 -0.092 0.000 0.997 101 R CB -0.404 29.896 30.300 -0.000 0.000 0.870 101 R HN -0.525 7.625 8.270 -0.201 0.000 0.465 102 S N 0.400 116.112 115.700 0.020 0.000 2.325 102 S HA -0.169 4.350 4.470 0.082 0.000 0.214 102 S C 1.909 176.576 174.600 0.112 0.000 1.031 102 S CA 3.477 61.725 58.200 0.080 0.000 0.972 102 S CB -0.246 63.015 63.200 0.102 0.000 0.908 102 S HN -0.697 7.420 8.310 -0.012 0.185 0.453 103 V N 2.013 122.010 119.914 0.138 0.000 2.380 103 V HA -0.447 3.811 4.120 0.230 0.000 0.251 103 V C 1.910 178.167 176.094 0.273 0.000 1.063 103 V CA 3.762 66.206 62.300 0.239 0.000 1.055 103 V CB -0.855 31.186 31.823 0.362 0.000 0.657 103 V HN -0.565 7.692 8.190 0.111 0.000 0.455 104 F N -0.307 119.612 119.950 -0.050 0.000 2.186 104 F HA -0.325 4.191 4.527 -0.019 0.000 0.299 104 F C 1.627 177.430 175.800 0.005 0.000 1.090 104 F CA 3.557 61.503 58.000 -0.090 0.000 1.307 104 F CB -0.014 38.811 39.000 -0.292 0.000 1.019 104 F HN -0.124 8.251 8.300 0.144 0.011 0.489 105 R N -0.584 119.987 120.500 0.118 0.000 2.120 105 R HA -0.511 3.846 4.340 0.028 0.000 0.234 105 R C 1.725 178.031 176.300 0.009 0.000 1.123 105 R CA 3.287 59.417 56.100 0.050 0.000 0.975 105 R CB -0.262 30.083 30.300 0.074 0.000 0.866 105 R HN -0.400 7.860 8.270 0.149 0.099 0.446 106 A N -0.146 122.708 122.820 0.057 0.000 1.844 106 A HA -0.215 4.115 4.320 0.017 0.000 0.212 106 A C 1.170 178.772 177.584 0.029 0.000 1.221 106 A CA 2.654 54.721 52.037 0.051 0.000 0.607 106 A CB -0.532 18.530 19.000 0.104 0.000 0.878 106 A HN -0.330 7.754 8.150 0.105 0.129 0.451 107 F N 0.868 120.797 119.950 -0.034 0.000 2.063 107 F HA -0.379 4.120 4.527 -0.046 0.000 0.298 107 F C 1.575 177.275 175.800 -0.166 0.000 1.105 107 F CA 2.269 60.231 58.000 -0.064 0.000 1.215 107 F CB -0.302 38.721 39.000 0.038 0.000 0.972 107 F HN -0.550 7.921 8.300 0.285 0.000 0.483 108 L N -1.331 119.508 121.223 -0.641 0.000 2.013 108 L HA -0.388 3.344 4.340 -1.014 0.000 0.212 108 L C 2.471 179.050 176.870 -0.485 0.000 1.073 108 L CA 3.573 57.986 54.840 -0.712 0.000 0.753 108 L CB -0.923 40.857 42.059 -0.465 0.000 0.890 108 L HN -0.513 7.498 8.230 -0.365 0.000 0.432 109 R N -2.947 117.373 120.500 -0.301 0.000 2.119 109 R HA -0.425 3.811 4.340 -0.174 0.000 0.246 109 R C 2.457 178.521 176.300 -0.394 0.000 1.146 109 R CA 3.596 59.557 56.100 -0.232 0.000 0.962 109 R CB -0.588 29.638 30.300 -0.124 0.000 0.863 109 R HN -0.294 7.766 8.270 -0.231 0.072 0.442 110 T N -0.392 113.902 114.554 -0.433 0.000 2.569 110 T HA -0.255 3.782 4.350 -0.521 0.000 0.263 110 T C 1.205 175.343 174.700 -0.936 0.000 1.074 110 T CA 3.004 64.773 62.100 -0.551 0.000 1.176 110 T CB -0.717 67.962 68.868 -0.315 0.000 0.863 110 T HN -0.511 7.406 8.240 -0.361 0.106 0.410 111 E N -0.577 119.200 120.200 -0.706 0.000 2.526 111 E HA -0.210 3.921 4.350 -0.364 0.000 0.205 111 E C -0.945 175.465 176.600 -0.316 0.000 1.104 111 E CA 0.047 56.151 56.400 -0.493 0.000 0.899 111 E CB -0.506 28.944 29.700 -0.418 0.000 0.838 111 E HN -0.478 7.446 8.360 -0.727 0.000 0.564 112 Y N -6.972 113.233 120.300 -0.158 0.000 4.177 112 Y HA -0.360 4.206 4.550 -0.089 -0.069 0.227 112 Y C -0.957 174.874 175.900 -0.114 0.000 1.154 112 Y CA 0.583 58.619 58.100 -0.107 0.000 1.887 112 Y CB -3.711 34.705 38.460 -0.073 0.000 1.594 112 Y HN -0.376 7.121 8.280 -0.860 0.267 0.668 113 S N -0.703 114.934 115.700 -0.106 0.000 2.457 113 S HA 0.163 4.609 4.470 -0.040 0.000 0.237 113 S C -0.037 174.497 174.600 -0.111 0.000 1.213 113 S CA -0.819 57.320 58.200 -0.101 0.000 1.218 113 S CB 0.507 63.611 63.200 -0.160 0.000 0.922 113 S HN -0.447 7.598 8.310 -0.241 0.120 0.488 114 E N 2.677 122.838 120.200 -0.065 0.000 2.166 114 E HA -0.206 4.108 4.350 -0.060 0.000 0.192 114 E C 1.473 178.095 176.600 0.036 0.000 0.967 114 E CA 2.634 59.015 56.400 -0.031 0.000 0.840 114 E CB -0.023 29.664 29.700 -0.021 0.000 0.795 114 E HN 0.252 8.530 8.360 -0.037 0.060 0.470 115 E N 0.211 120.443 120.200 0.053 0.000 2.136 115 E HA -0.432 4.007 4.350 0.147 0.000 0.202 115 E C 1.751 178.401 176.600 0.085 0.000 1.019 115 E CA 3.680 60.141 56.400 0.102 0.000 0.819 115 E CB -0.643 29.120 29.700 0.106 0.000 0.739 115 E HN 0.536 8.921 8.360 0.042 0.000 0.458 116 N N -2.462 116.255 118.700 0.029 0.000 2.149 116 N HA -0.362 4.372 4.740 -0.009 0.000 0.188 116 N C 1.744 177.368 175.510 0.191 0.000 1.019 116 N CA 3.604 56.687 53.050 0.054 0.000 0.857 116 N CB -0.405 38.092 38.487 0.016 0.000 0.997 116 N HN 0.212 8.589 8.380 0.003 0.004 0.426 117 M N 0.980 120.673 119.600 0.156 0.000 2.082 117 M HA -0.412 4.214 4.480 0.242 0.000 0.258 117 M C 1.600 178.056 176.300 0.259 0.000 1.071 117 M CA 3.107 58.532 55.300 0.207 0.000 1.103 117 M CB -0.383 32.300 32.600 0.140 0.000 1.307 117 M HN -0.028 8.189 8.290 0.094 0.129 0.409 118 L N -2.250 119.097 121.223 0.207 0.000 2.042 118 L HA -0.481 3.964 4.340 0.174 0.000 0.210 118 L C 2.039 179.018 176.870 0.182 0.000 1.076 118 L CA 2.703 57.658 54.840 0.191 0.000 0.749 118 L CB -0.777 41.393 42.059 0.186 0.000 0.893 118 L HN -0.740 7.594 8.230 0.173 0.000 0.432 119 F N -0.707 119.257 119.950 0.023 0.000 2.236 119 F HA -0.386 4.041 4.527 -0.166 0.000 0.302 119 F C 1.438 177.233 175.800 -0.009 0.000 1.073 119 F CA 3.617 61.551 58.000 -0.109 0.000 1.336 119 F CB 0.058 38.906 39.000 -0.253 0.000 1.040 119 F HN -0.050 8.351 8.300 0.291 0.073 0.507 120 W N -0.343 120.975 121.300 0.031 0.000 2.441 120 W HA -0.371 4.263 4.660 -0.043 0.000 0.302 120 W C 1.020 177.480 176.519 -0.099 0.000 1.191 120 W CA 5.195 62.529 57.345 -0.019 0.000 1.327 120 W CB 0.389 29.898 29.460 0.081 0.000 1.128 120 W HN -0.195 8.083 8.180 0.427 0.158 0.522 121 L N -1.042 120.260 121.223 0.132 0.000 2.017 121 L HA -0.599 3.627 4.340 -0.190 0.000 0.208 121 L C 2.425 179.164 176.870 -0.217 0.000 1.073 121 L CA 3.148 57.955 54.840 -0.055 0.000 0.745 121 L CB -0.341 41.778 42.059 0.100 0.000 0.894 121 L HN -0.659 7.767 8.230 0.327 0.000 0.432 122 A N -2.219 120.486 122.820 -0.191 0.000 1.940 122 A HA -0.307 3.906 4.320 -0.178 0.000 0.219 122 A C 2.060 179.400 177.584 -0.406 0.000 1.176 122 A CA 2.994 54.877 52.037 -0.255 0.000 0.631 122 A CB -1.077 17.781 19.000 -0.236 0.000 0.814 122 A HN 0.435 8.521 8.150 -0.107 0.000 0.446 123 C N -3.320 115.641 119.300 -0.565 0.000 2.476 123 C HA -0.281 3.826 4.460 -0.588 0.000 0.278 123 C C 1.530 176.245 174.990 -0.459 0.000 1.274 123 C CA 3.867 62.536 59.018 -0.581 0.000 1.713 123 C CB 0.218 27.573 27.740 -0.641 0.000 2.039 123 C HN -0.681 7.119 8.230 -0.567 0.089 0.484 124 E N -3.380 116.448 120.200 -0.619 0.000 2.502 124 E HA -0.104 3.961 4.350 -0.476 0.000 0.194 124 E C 0.905 177.281 176.600 -0.373 0.000 1.062 124 E CA 0.719 56.759 56.400 -0.600 0.000 0.867 124 E CB -0.696 28.369 29.700 -1.059 0.000 0.888 124 E HN -0.024 7.783 8.360 -0.739 0.109 0.510 125 E N -0.439 119.583 120.200 -0.298 0.000 2.140 125 E HA -0.106 4.147 4.350 -0.162 0.000 0.191 125 E C 2.114 178.629 176.600 -0.141 0.000 0.973 125 E CA 1.928 58.218 56.400 -0.182 0.000 0.829 125 E CB 0.391 30.005 29.700 -0.144 0.000 0.781 125 E HN -0.139 7.817 8.360 -0.335 0.204 0.466 126 L N -0.164 120.970 121.223 -0.149 0.000 2.447 126 L HA -0.221 4.161 4.340 -0.072 -0.085 0.225 126 L C 0.406 177.226 176.870 -0.082 0.000 1.148 126 L CA 1.974 56.759 54.840 -0.092 0.000 0.808 126 L CB -0.176 41.848 42.059 -0.059 0.000 0.928 126 L HN -0.703 7.409 8.230 -0.196 0.000 0.448 127 K N -2.029 118.307 120.400 -0.107 0.000 2.243 127 K HA -0.207 4.076 4.320 -0.062 0.000 0.201 127 K C 0.783 177.342 176.600 -0.068 0.000 1.051 127 K CA 1.907 58.143 56.287 -0.085 0.000 0.970 127 K CB -0.190 32.243 32.500 -0.112 0.000 0.755 127 K HN -0.584 7.506 8.250 -0.147 0.072 0.465 128 A N -2.149 120.628 122.820 -0.072 0.000 2.416 128 A HA 0.025 4.318 4.320 -0.045 0.000 0.252 128 A C -0.616 176.943 177.584 -0.041 0.000 1.353 128 A CA 0.840 52.846 52.037 -0.051 0.000 0.996 128 A CB -0.512 18.458 19.000 -0.049 0.000 0.961 128 A HN -0.276 7.684 8.150 -0.089 0.137 0.523 129 E N -1.777 118.397 120.200 -0.043 0.000 3.874 129 E HA 0.038 4.368 4.350 -0.032 0.000 0.216 129 E C -0.530 176.046 176.600 -0.040 0.000 1.307 129 E CA 0.174 56.552 56.400 -0.038 0.000 1.536 129 E CB 1.098 30.775 29.700 -0.037 0.000 1.996 129 E HN -0.651 7.541 8.360 -0.048 0.138 0.602 130 A N -0.585 122.207 122.820 -0.045 0.000 2.765 130 A HA -0.363 3.923 4.320 -0.058 0.000 0.286 130 A C -0.364 177.186 177.584 -0.056 0.000 1.457 130 A CA 1.309 53.317 52.037 -0.048 0.000 0.899 130 A CB -1.682 17.300 19.000 -0.030 0.000 0.983 130 A HN -0.162 7.959 8.150 -0.047 0.000 0.584 131 N N -1.133 117.529 118.700 -0.062 0.000 2.075 131 N HA -0.156 4.534 4.740 -0.083 0.000 0.192 131 N C -0.084 175.349 175.510 -0.128 0.000 1.081 131 N CA 1.476 54.474 53.050 -0.087 0.000 0.985 131 N CB 0.271 38.713 38.487 -0.076 0.000 1.154 131 N HN 0.108 8.395 8.380 -0.053 0.061 0.484 132 Q N -5.160 114.539 119.800 -0.168 0.000 2.121 132 Q HA -0.020 4.243 4.340 -0.129 0.000 0.163 132 Q C 0.579 176.495 176.000 -0.140 0.000 0.695 132 Q CA 1.997 57.675 55.803 -0.208 0.000 0.854 132 Q CB 0.599 29.124 28.738 -0.356 0.000 1.190 132 Q HN 0.149 8.334 8.270 -0.142 0.000 0.357 133 H N 0.391 119.450 119.070 -0.018 0.000 2.343 133 H HA -0.000 4.546 4.556 -0.017 0.000 0.303 133 H C 2.257 177.576 175.328 -0.014 0.000 1.068 133 H CA 2.041 58.080 56.048 -0.015 0.000 1.359 133 H CB -0.276 29.479 29.762 -0.013 0.000 1.402 133 H HN 0.049 8.099 8.280 -0.384 0.000 0.515 134 V N -0.295 119.677 119.914 0.097 0.000 2.871 134 V HA -0.154 3.998 4.120 0.053 0.000 0.256 134 V C 0.869 176.976 176.094 0.022 0.000 1.082 134 V CA 1.664 63.992 62.300 0.048 0.000 1.105 134 V CB -0.189 31.650 31.823 0.027 0.000 0.713 134 V HN -0.256 7.979 8.190 0.074 0.000 0.473 135 V N -0.954 118.963 119.914 0.004 0.000 2.594 135 V HA -0.432 3.682 4.120 -0.010 0.000 0.253 135 V C 1.486 177.583 176.094 0.006 0.000 1.069 135 V CA 3.530 65.825 62.300 -0.010 0.000 1.082 135 V CB -0.378 31.421 31.823 -0.040 0.000 0.680 135 V HN -0.076 8.079 8.190 -0.004 0.032 0.469 136 D N -0.369 120.042 120.400 0.018 0.000 2.149 136 D HA -0.190 4.455 4.640 0.007 0.000 0.206 136 D C 1.597 177.912 176.300 0.026 0.000 0.967 136 D CA 3.786 57.796 54.000 0.018 0.000 0.848 136 D CB 0.051 40.866 40.800 0.024 0.000 0.998 136 D HN -0.772 7.588 8.370 0.030 0.028 0.474 137 E N 0.364 120.581 120.200 0.029 0.000 2.033 137 E HA -0.452 3.912 4.350 0.023 0.000 0.199 137 E C 2.149 178.767 176.600 0.031 0.000 1.011 137 E CA 2.969 59.384 56.400 0.026 0.000 0.815 137 E CB 0.156 29.869 29.700 0.022 0.000 0.755 137 E HN -0.812 7.569 8.360 0.035 0.000 0.451 138 K N -1.557 118.859 120.400 0.027 0.000 2.063 138 K HA -0.306 4.023 4.320 0.016 0.000 0.208 138 K C 1.947 178.582 176.600 0.058 0.000 1.048 138 K CA 2.715 59.017 56.287 0.024 0.000 0.928 138 K CB -0.291 32.213 32.500 0.007 0.000 0.713 138 K HN -0.560 7.704 8.250 0.023 0.000 0.442 139 A N -2.328 120.541 122.820 0.083 0.000 1.958 139 A HA -0.307 4.170 4.320 0.261 0.000 0.221 139 A C 2.270 179.974 177.584 0.201 0.000 1.178 139 A CA 3.026 55.165 52.037 0.169 0.000 0.642 139 A CB -0.760 18.303 19.000 0.105 0.000 0.816 139 A HN -0.460 7.725 8.150 0.057 0.000 0.453 140 R N -2.356 118.220 120.500 0.127 0.000 2.066 140 R HA -0.330 4.133 4.340 0.205 0.000 0.232 140 R C 2.112 178.503 176.300 0.151 0.000 1.131 140 R CA 3.107 59.297 56.100 0.150 0.000 0.955 140 R CB -0.272 30.077 30.300 0.083 0.000 0.851 140 R HN -0.652 7.553 8.270 0.083 0.115 0.432 141 L N 0.260 121.531 121.223 0.080 0.000 2.051 141 L HA -0.383 3.960 4.340 0.005 0.000 0.214 141 L C 1.961 178.848 176.870 0.028 0.000 1.076 141 L CA 3.480 58.336 54.840 0.027 0.000 0.758 141 L CB -0.258 41.801 42.059 0.001 0.000 0.890 141 L HN -0.675 7.525 8.230 0.065 0.069 0.433 142 I N -2.084 118.532 120.570 0.078 0.000 2.193 142 I HA -0.539 3.721 4.170 0.150 0.000 0.240 142 I C 1.575 177.872 176.117 0.300 0.000 1.084 142 I CA 4.521 65.884 61.300 0.105 0.000 1.365 142 I CB 0.016 37.874 38.000 -0.236 0.000 1.064 142 I HN -0.739 7.518 8.210 0.087 0.006 0.410 143 Y N -0.281 120.172 120.300 0.255 0.000 2.352 143 Y HA -0.529 4.235 4.550 0.357 0.000 0.292 143 Y C 1.259 177.246 175.900 0.146 0.000 1.136 143 Y CA 3.347 61.605 58.100 0.264 0.000 1.227 143 Y CB 0.411 39.001 38.460 0.218 0.000 0.991 143 Y HN -0.395 8.170 8.280 0.476 0.000 0.545 144 E N 0.009 120.328 120.200 0.198 0.000 2.042 144 E HA -0.306 4.101 4.350 0.095 0.000 0.189 144 E C 1.883 178.415 176.600 -0.114 0.000 0.974 144 E CA 2.238 58.676 56.400 0.062 0.000 0.806 144 E CB 0.329 30.074 29.700 0.075 0.000 0.769 144 E HN 0.669 9.024 8.360 0.236 0.146 0.451 145 D N -2.438 117.821 120.400 -0.235 0.000 2.311 145 D HA -0.246 4.165 4.640 -0.381 0.000 0.212 145 D C 0.340 176.151 176.300 -0.815 0.000 0.972 145 D CA 2.578 56.234 54.000 -0.573 0.000 0.887 145 D CB 0.332 40.633 40.800 -0.832 0.000 0.915 145 D HN -0.022 8.142 8.370 -0.153 0.114 0.497 146 Y N -4.947 115.350 120.300 -0.004 0.000 3.223 146 Y HA -0.004 4.525 4.550 -0.034 0.000 0.159 146 Y C 0.828 176.653 175.900 -0.125 0.000 0.875 146 Y CA 1.303 59.383 58.100 -0.033 0.000 1.850 146 Y CB 0.504 38.988 38.460 0.041 0.000 1.362 146 Y HN -0.934 7.208 8.280 -0.148 0.050 0.341 147 V N -1.161 118.751 119.914 -0.003 0.000 2.357 147 V HA -0.499 3.549 4.120 -0.120 0.000 0.257 147 V C 1.420 177.320 176.094 -0.323 0.000 1.082 147 V CA 3.013 65.155 62.300 -0.264 0.000 1.078 147 V CB -0.262 31.171 31.823 -0.651 0.000 0.663 147 V HN 0.056 8.342 8.190 0.159 0.000 0.455 148 S N -2.374 113.121 115.700 -0.342 0.000 2.315 148 S HA -0.188 4.199 4.470 -0.138 0.000 0.196 148 S C -0.428 174.126 174.600 -0.077 0.000 1.045 148 S CA 2.668 60.770 58.200 -0.164 0.000 1.055 148 S CB 1.077 64.233 63.200 -0.074 0.000 0.963 148 S HN -0.617 7.459 8.310 -0.359 0.018 0.439 149 I N -2.654 117.879 120.570 -0.063 0.000 2.793 149 I HA 0.152 4.304 4.170 -0.031 0.000 0.295 149 I C -2.453 173.634 176.117 -0.050 0.000 1.610 149 I CA 0.198 61.475 61.300 -0.039 0.000 0.986 149 I CB 2.011 39.998 38.000 -0.022 0.000 1.402 149 I HN -0.729 7.435 8.210 -0.075 0.000 0.500 150 L N 4.237 125.437 121.223 -0.039 0.000 2.325 150 L HA 0.150 4.463 4.340 -0.044 0.000 0.266 150 L C -1.403 175.452 176.870 -0.025 0.000 1.134 150 L CA 1.301 56.112 54.840 -0.048 0.000 1.406 150 L CB 1.586 43.587 42.059 -0.098 0.000 2.633 150 L HN 0.365 8.580 8.230 -0.024 0.000 0.537 151 S N -1.826 113.868 115.700 -0.009 0.000 2.686 151 S HA 0.212 4.677 4.470 -0.007 0.000 0.273 151 S C -2.392 172.211 174.600 0.005 0.000 1.060 151 S CA -0.689 57.509 58.200 -0.002 0.000 0.845 151 S CB 1.368 64.570 63.200 0.003 0.000 1.086 151 S HN -0.635 7.672 8.310 -0.005 0.000 0.461 152 P HA -0.017 4.398 4.420 -0.009 0.000 0.229 152 P C -0.448 176.852 177.300 0.001 0.000 1.150 152 P CA 0.940 64.035 63.100 -0.008 0.000 0.765 152 P CB 0.120 31.807 31.700 -0.023 0.000 0.783 153 K N -1.654 118.758 120.400 0.020 0.000 2.968 153 K HA -0.040 4.292 4.320 0.020 0.000 0.249 153 K C -0.929 175.708 176.600 0.061 0.000 1.062 153 K CA -0.697 55.614 56.287 0.039 0.000 1.215 153 K CB -1.621 30.917 32.500 0.064 0.000 1.097 153 K HN 0.041 8.199 8.250 0.021 0.104 0.462 154 E N 1.460 121.682 120.200 0.037 0.000 2.257 154 E HA -0.141 4.291 4.350 0.136 0.000 0.278 154 E C -0.026 176.542 176.600 -0.055 0.000 1.049 154 E CA -0.587 55.837 56.400 0.040 0.000 0.876 154 E CB 0.633 30.343 29.700 0.017 0.000 1.035 154 E HN -0.754 7.492 8.360 0.017 0.124 0.419 155 V N 2.681 122.497 119.914 -0.163 0.000 2.752 155 V HA -0.178 3.801 4.120 -0.234 0.000 0.306 155 V C -0.012 175.957 176.094 -0.208 0.000 1.099 155 V CA 0.270 62.390 62.300 -0.301 0.000 1.240 155 V CB 0.288 31.693 31.823 -0.696 0.000 0.887 155 V HN 0.143 8.242 8.190 -0.151 0.000 0.499 156 S N 5.267 120.873 115.700 -0.156 0.000 2.962 156 S HA -0.189 4.234 4.470 -0.079 0.000 0.320 156 S C -0.690 173.847 174.600 -0.106 0.000 1.186 156 S CA 1.491 59.630 58.200 -0.100 0.000 1.180 156 S CB -1.524 61.635 63.200 -0.068 0.000 1.491 156 S HN 0.369 8.588 8.310 -0.152 0.000 0.556 157 L N 3.344 124.506 121.223 -0.100 0.000 2.556 157 L HA 0.248 4.558 4.340 -0.050 0.000 0.257 157 L C -2.289 174.558 176.870 -0.039 0.000 0.955 157 L CA 0.246 55.042 54.840 -0.073 0.000 0.850 157 L CB 3.095 45.086 42.059 -0.114 0.000 1.398 157 L HN -0.366 7.796 8.230 -0.094 0.011 0.412 158 D N 4.473 124.865 120.400 -0.012 0.000 2.590 158 D HA 0.051 4.699 4.640 0.013 0.000 0.121 158 D C -2.321 173.985 176.300 0.010 0.000 0.991 158 D CA 1.137 55.139 54.000 0.002 0.000 1.462 158 D CB 0.981 41.778 40.800 -0.005 0.000 2.533 158 D HN 0.111 8.477 8.370 -0.007 0.000 0.758 159 S N 2.123 117.835 115.700 0.020 0.000 3.241 159 S HA 0.134 4.613 4.470 0.016 0.000 0.305 159 S C -0.415 174.199 174.600 0.025 0.000 1.234 159 S CA -0.202 58.009 58.200 0.019 0.000 1.238 159 S CB 0.858 64.067 63.200 0.015 0.000 1.504 159 S HN -0.241 8.086 8.310 0.028 0.000 0.508 160 R N 1.170 121.683 120.500 0.022 0.000 2.226 160 R HA -0.238 4.115 4.340 0.021 0.000 0.246 160 R C 1.258 177.575 176.300 0.029 0.000 1.161 160 R CA 2.831 58.945 56.100 0.022 0.000 0.997 160 R CB -0.572 29.739 30.300 0.018 0.000 0.870 160 R HN 0.297 8.578 8.270 0.018 0.000 0.465 161 V N -0.293 119.642 119.914 0.036 0.000 2.591 161 V HA -0.301 3.844 4.120 0.041 0.000 0.249 161 V C 1.615 177.745 176.094 0.060 0.000 1.053 161 V CA 2.698 65.027 62.300 0.048 0.000 1.068 161 V CB -0.605 31.255 31.823 0.061 0.000 0.689 161 V HN -0.332 7.827 8.190 0.033 0.052 0.462 162 R N -0.347 120.188 120.500 0.059 0.000 2.127 162 R HA -0.425 3.973 4.340 0.097 0.000 0.238 162 R C 1.804 178.151 176.300 0.077 0.000 1.134 162 R CA 3.748 59.893 56.100 0.075 0.000 0.975 162 R CB -0.080 30.254 30.300 0.056 0.000 0.865 162 R HN 0.114 8.361 8.270 0.047 0.051 0.447 163 E N -2.455 117.777 120.200 0.053 0.000 2.086 163 E HA -0.134 4.246 4.350 0.051 0.000 0.190 163 E C 1.895 178.514 176.600 0.031 0.000 0.975 163 E CA 2.403 58.828 56.400 0.042 0.000 0.813 163 E CB -0.608 29.109 29.700 0.029 0.000 0.768 163 E HN -0.588 7.775 8.360 0.044 0.023 0.457 164 G N -0.258 108.557 108.800 0.025 0.000 2.440 164 G HA2 -0.284 3.677 3.960 0.002 0.000 0.218 164 G HA3 -0.284 3.681 3.960 0.008 0.000 0.218 164 G C 1.530 176.426 174.900 -0.006 0.000 1.154 164 G CA 2.199 47.304 45.100 0.008 0.000 0.767 164 G HN -0.575 7.667 8.290 0.030 0.066 0.552 165 I N 0.787 121.365 120.570 0.013 0.000 2.315 165 I HA -0.485 3.628 4.170 -0.096 0.000 0.248 165 I C 1.500 177.622 176.117 0.010 0.000 1.117 165 I CA 3.823 65.117 61.300 -0.009 0.000 1.404 165 I CB -0.178 37.868 38.000 0.077 0.000 1.071 165 I HN 0.209 8.437 8.210 0.040 0.006 0.419 166 N N -1.178 117.556 118.700 0.057 0.000 2.331 166 N HA -0.225 4.517 4.740 0.003 0.000 0.180 166 N C 1.355 176.850 175.510 -0.025 0.000 1.019 166 N CA 2.570 55.638 53.050 0.031 0.000 0.881 166 N CB -0.588 37.945 38.487 0.076 0.000 0.972 166 N HN -0.597 7.743 8.380 0.075 0.086 0.435 167 K N -0.890 119.499 120.400 -0.018 0.000 2.186 167 K HA -0.173 4.130 4.320 -0.028 0.000 0.202 167 K C 1.787 178.358 176.600 -0.048 0.000 1.052 167 K CA 2.141 58.411 56.287 -0.028 0.000 0.965 167 K CB 0.079 32.570 32.500 -0.015 0.000 0.746 167 K HN -0.032 8.102 8.250 -0.004 0.114 0.457 168 K N -1.359 119.004 120.400 -0.062 0.000 2.361 168 K HA -0.042 4.238 4.320 -0.066 0.000 0.196 168 K C 1.452 177.980 176.600 -0.119 0.000 1.039 168 K CA 1.388 57.625 56.287 -0.084 0.000 1.001 168 K CB 0.076 32.519 32.500 -0.096 0.000 0.795 168 K HN -0.107 8.109 8.250 -0.056 0.000 0.495 169 M N -1.449 118.072 119.600 -0.132 0.000 2.146 169 M HA -0.412 3.957 4.480 -0.185 0.000 0.256 169 M C -0.752 175.468 176.300 -0.134 0.000 1.075 169 M CA 2.008 57.209 55.300 -0.166 0.000 1.082 169 M CB 0.119 32.585 32.600 -0.223 0.000 1.355 169 M HN -0.439 7.750 8.290 -0.111 0.034 0.402 170 Q N -1.898 117.839 119.800 -0.106 0.000 2.313 170 Q HA -0.098 4.192 4.340 -0.083 0.000 0.266 170 Q C -0.819 175.136 176.000 -0.074 0.000 0.989 170 Q CA 0.348 56.103 55.803 -0.081 0.000 0.890 170 Q CB 0.057 28.757 28.738 -0.062 0.000 1.200 170 Q HN -0.490 7.709 8.270 -0.098 0.012 0.396 171 E N -1.138 119.023 120.200 -0.065 0.000 2.291 171 E HA -0.256 4.061 4.350 -0.054 0.000 0.181 171 E C -1.959 174.587 176.600 -0.089 0.000 1.480 171 E CA -0.338 56.025 56.400 -0.062 0.000 0.674 171 E CB -1.537 28.135 29.700 -0.046 0.000 1.108 171 E HN 0.401 8.725 8.360 -0.060 0.000 0.357 172 P HA 0.023 4.331 4.420 -0.186 0.000 0.293 172 P C -0.620 176.556 177.300 -0.206 0.000 1.298 172 P CA -0.446 62.555 63.100 -0.165 0.000 0.757 172 P CB 0.935 32.549 31.700 -0.143 0.000 1.262 173 S N -1.451 114.054 115.700 -0.325 0.000 2.643 173 S HA 0.135 4.451 4.470 -0.257 0.000 0.270 173 S C 0.180 174.510 174.600 -0.450 0.000 1.166 173 S CA -1.528 56.405 58.200 -0.444 0.000 0.815 173 S CB 1.494 64.211 63.200 -0.804 0.000 1.139 173 S HN -0.126 7.983 8.310 -0.336 0.000 0.472 174 A N 2.756 125.387 122.820 -0.315 0.000 2.604 174 A HA 0.042 4.298 4.320 -0.107 0.000 0.248 174 A C -1.424 176.120 177.584 -0.067 0.000 1.466 174 A CA 0.331 52.287 52.037 -0.134 0.000 1.222 174 A CB -1.609 17.368 19.000 -0.039 0.000 0.945 174 A HN 0.569 8.580 8.150 -0.232 0.000 0.600 175 H N -8.174 110.877 119.070 -0.031 0.000 3.893 175 H HA 0.205 4.747 4.556 -0.023 0.000 0.249 175 H C -0.679 174.614 175.328 -0.058 0.000 1.201 175 H CA -0.593 55.434 56.048 -0.035 0.000 1.127 175 H CB -0.840 28.896 29.762 -0.044 0.000 3.336 175 H HN -0.184 7.617 8.280 -0.586 0.128 0.656 176 T N 1.763 116.188 114.554 -0.215 0.000 2.894 176 T HA -0.089 4.154 4.350 -0.179 0.000 0.258 176 T C 0.763 175.277 174.700 -0.310 0.000 1.043 176 T CA 3.219 65.134 62.100 -0.308 0.000 1.141 176 T CB 0.558 69.103 68.868 -0.538 0.000 0.873 176 T HN -0.669 7.436 8.240 -0.225 0.000 0.449 177 F N -0.821 119.117 119.950 -0.019 0.000 2.780 177 F HA -0.093 4.469 4.527 0.057 0.000 0.299 177 F C 0.869 176.682 175.800 0.021 0.000 1.146 177 F CA 2.068 60.074 58.000 0.009 0.000 1.428 177 F CB -0.720 38.240 39.000 -0.067 0.000 1.115 177 F HN -0.070 8.258 8.300 0.047 0.000 0.583 178 D N -0.712 119.774 120.400 0.143 0.000 2.244 178 D HA -0.483 4.199 4.640 0.070 0.000 0.197 178 D C 1.104 177.463 176.300 0.098 0.000 1.006 178 D CA 3.076 57.133 54.000 0.095 0.000 0.888 178 D CB -0.845 40.002 40.800 0.079 0.000 0.912 178 D HN 0.144 8.413 8.370 0.118 0.171 0.452 179 D N -0.527 119.934 120.400 0.102 0.000 2.162 179 D HA -0.171 4.515 4.640 0.077 0.000 0.205 179 D C 1.370 177.756 176.300 0.144 0.000 0.964 179 D CA 2.750 56.807 54.000 0.095 0.000 0.847 179 D CB 0.381 41.221 40.800 0.067 0.000 0.988 179 D HN -0.581 7.811 8.370 0.092 0.033 0.480 180 A N -0.191 122.757 122.820 0.213 0.000 1.854 180 A HA -0.201 4.247 4.320 0.213 0.000 0.214 180 A C 1.942 179.737 177.584 0.352 0.000 1.192 180 A CA 3.231 55.447 52.037 0.298 0.000 0.611 180 A CB -0.784 18.503 19.000 0.479 0.000 0.832 180 A HN -0.633 7.567 8.150 0.213 0.077 0.442 181 Q N -1.809 118.203 119.800 0.354 0.000 2.181 181 Q HA -0.289 4.323 4.340 0.454 0.000 0.205 181 Q C 1.962 178.130 176.000 0.280 0.000 0.980 181 Q CA 2.586 58.568 55.803 0.298 0.000 0.862 181 Q CB -0.901 27.876 28.738 0.065 0.000 0.905 181 Q HN 0.471 8.823 8.270 0.346 0.125 0.429 182 L N 0.375 121.721 121.223 0.204 0.000 1.988 182 L HA -0.290 4.180 4.340 0.216 0.000 0.207 182 L C 1.530 178.511 176.870 0.185 0.000 1.071 182 L CA 2.688 57.639 54.840 0.184 0.000 0.744 182 L CB -0.656 41.469 42.059 0.110 0.000 0.893 182 L HN -0.736 7.584 8.230 0.180 0.018 0.433 183 Q N -1.169 118.717 119.800 0.142 0.000 2.133 183 Q HA -0.449 3.933 4.340 0.070 0.000 0.208 183 Q C 2.590 178.649 176.000 0.099 0.000 0.991 183 Q CA 3.145 59.005 55.803 0.097 0.000 0.867 183 Q CB -0.118 28.667 28.738 0.077 0.000 0.911 183 Q HN -0.432 7.922 8.270 0.140 0.000 0.417 184 I N -1.191 119.468 120.570 0.148 0.000 2.193 184 I HA -0.403 3.797 4.170 0.049 0.000 0.240 184 I C 1.661 177.877 176.117 0.165 0.000 1.084 184 I CA 1.990 63.368 61.300 0.129 0.000 1.365 184 I CB -0.694 37.408 38.000 0.169 0.000 1.064 184 I HN -0.317 8.005 8.210 0.194 0.004 0.410 185 Y N 0.613 120.987 120.300 0.123 0.000 2.283 185 Y HA -0.535 4.018 4.550 0.005 0.000 0.285 185 Y C 2.003 177.868 175.900 -0.058 0.000 1.176 185 Y CA 3.868 61.984 58.100 0.027 0.000 1.229 185 Y CB -0.456 38.039 38.460 0.059 0.000 0.975 185 Y HN -0.150 8.382 8.280 0.420 0.000 0.537 186 T N 1.687 116.209 114.554 -0.054 0.000 2.942 186 T HA -0.301 3.883 4.350 -0.277 0.000 0.265 186 T C 1.364 176.021 174.700 -0.072 0.000 1.062 186 T CA 4.772 66.793 62.100 -0.131 0.000 1.139 186 T CB -0.315 68.530 68.868 -0.038 0.000 0.883 186 T HN -0.229 7.912 8.240 0.090 0.154 0.468 187 L N 2.913 124.122 121.223 -0.023 0.000 2.046 187 L HA -0.318 4.029 4.340 0.011 0.000 0.208 187 L C 1.949 178.830 176.870 0.019 0.000 1.077 187 L CA 3.475 58.317 54.840 0.004 0.000 0.747 187 L CB -0.204 41.858 42.059 0.005 0.000 0.896 187 L HN 0.201 8.309 8.230 0.001 0.122 0.432 188 M N -2.602 117.004 119.600 0.009 0.000 2.132 188 M HA -0.395 4.162 4.480 0.128 0.000 0.263 188 M C 2.252 178.622 176.300 0.118 0.000 1.065 188 M CA 3.918 59.280 55.300 0.102 0.000 1.122 188 M CB -0.029 32.679 32.600 0.180 0.000 1.365 188 M HN -0.385 7.894 8.290 -0.018 0.000 0.411 189 H N -0.757 118.179 119.070 -0.223 0.000 2.389 189 H HA -0.258 4.293 4.556 -0.009 0.000 0.299 189 H C 1.517 176.843 175.328 -0.004 0.000 1.081 189 H CA 3.635 59.535 56.048 -0.246 0.000 1.345 189 H CB 0.397 29.722 29.762 -0.728 0.000 1.393 189 H HN -0.611 7.525 8.280 -0.240 0.000 0.520 190 R N -2.183 118.386 120.500 0.115 0.000 2.090 190 R HA -0.056 4.375 4.340 0.153 0.000 0.219 190 R C 1.365 177.727 176.300 0.103 0.000 1.100 190 R CA 2.348 58.519 56.100 0.118 0.000 0.991 190 R CB 1.039 31.387 30.300 0.081 0.000 0.893 190 R HN 0.090 8.205 8.270 0.068 0.196 0.443 191 D N -2.757 117.700 120.400 0.095 0.000 2.301 191 D HA 0.103 4.793 4.640 0.082 0.000 0.206 191 D C 1.097 177.479 176.300 0.136 0.000 0.979 191 D CA 2.920 56.975 54.000 0.092 0.000 0.874 191 D CB 0.465 41.301 40.800 0.060 0.000 0.968 191 D HN 0.463 8.761 8.370 0.082 0.121 0.510 192 S N 0.197 116.011 115.700 0.190 0.000 2.475 192 S HA 0.035 4.674 4.470 0.283 0.000 0.224 192 S C 0.808 175.631 174.600 0.373 0.000 1.042 192 S CA 1.884 60.258 58.200 0.291 0.000 0.935 192 S CB 0.535 63.902 63.200 0.278 0.000 0.801 192 S HN -0.247 8.057 8.310 0.180 0.114 0.509 193 Y N 3.381 123.777 120.300 0.160 0.000 2.200 193 Y HA -0.233 4.429 4.550 0.186 0.000 0.290 193 Y C -1.102 174.827 175.900 0.049 0.000 1.137 193 Y CA 4.566 62.715 58.100 0.081 0.000 1.163 193 Y CB -2.436 35.918 38.460 -0.177 0.000 0.988 193 Y HN -0.102 8.390 8.280 0.353 0.000 0.518 194 P HA -0.176 4.242 4.420 -0.003 0.000 0.217 194 P C 0.610 177.891 177.300 -0.032 0.000 1.150 194 P CA 2.616 65.731 63.100 0.025 0.000 0.832 194 P CB -0.453 31.283 31.700 0.061 0.000 0.787 195 R N -3.810 116.701 120.500 0.020 0.000 2.128 195 R HA -0.024 4.280 4.340 -0.060 0.000 0.211 195 R C 2.328 178.520 176.300 -0.180 0.000 1.067 195 R CA 0.876 56.962 56.100 -0.024 0.000 1.010 195 R CB 0.294 30.659 30.300 0.109 0.000 0.922 195 R HN -0.440 7.875 8.270 0.095 0.012 0.457 196 F N 3.096 122.871 119.950 -0.292 0.000 2.161 196 F HA -0.210 3.750 4.527 -0.945 0.000 0.300 196 F C 1.934 177.381 175.800 -0.588 0.000 1.089 196 F CA 3.025 60.701 58.000 -0.539 0.000 1.282 196 F CB 0.042 38.909 39.000 -0.222 0.000 1.010 196 F HN 0.677 8.950 8.300 0.142 0.112 0.485 197 L N -3.742 117.124 121.223 -0.594 0.000 2.549 197 L HA -0.249 3.388 4.340 -1.171 0.000 0.230 197 L C -0.584 175.922 176.870 -0.607 0.000 1.162 197 L CA 1.714 56.080 54.840 -0.790 0.000 0.834 197 L CB 0.005 41.719 42.059 -0.575 0.000 0.947 197 L HN -0.400 7.590 8.230 -0.382 0.011 0.452 198 S N -4.074 111.346 115.700 -0.466 0.000 3.009 198 S HA 0.203 4.549 4.470 -0.207 0.000 0.254 198 S C -0.981 173.447 174.600 -0.285 0.000 1.004 198 S CA -0.473 57.562 58.200 -0.275 0.000 1.119 198 S CB 1.567 64.661 63.200 -0.175 0.000 1.075 198 S HN -0.209 7.586 8.310 -0.481 0.227 0.618 199 S N 3.239 118.651 115.700 -0.480 0.000 2.584 199 S HA 0.367 4.645 4.470 -0.320 0.000 0.273 199 S C -0.489 173.918 174.600 -0.321 0.000 1.311 199 S CA -1.681 56.224 58.200 -0.490 0.000 1.034 199 S CB 0.194 62.754 63.200 -1.067 0.000 0.939 199 S HN -0.541 7.226 8.310 -0.685 0.132 0.513 200 P HA -0.163 4.192 4.420 -0.108 0.000 0.216 200 P C 1.241 178.472 177.300 -0.115 0.000 1.150 200 P CA 2.330 65.361 63.100 -0.115 0.000 0.837 200 P CB -0.284 31.383 31.700 -0.056 0.000 0.786 201 T N -2.101 112.384 114.554 -0.115 0.000 2.822 201 T HA -0.264 4.095 4.350 0.015 0.000 0.270 201 T C 0.537 175.207 174.700 -0.050 0.000 1.064 201 T CA 3.745 65.829 62.100 -0.027 0.000 1.131 201 T CB -0.576 68.344 68.868 0.086 0.000 0.858 201 T HN 0.243 8.383 8.240 -0.144 0.013 0.483 202 Y N 0.269 120.348 120.300 -0.369 0.000 2.522 202 Y HA 0.039 4.490 4.550 -0.164 0.000 0.277 202 Y C 0.905 176.651 175.900 -0.256 0.000 1.104 202 Y CA 1.456 59.328 58.100 -0.380 0.000 1.260 202 Y CB 1.670 39.576 38.460 -0.924 0.000 1.151 202 Y HN -0.590 7.376 8.280 -0.272 0.151 0.539 203 R N 0.051 120.423 120.500 -0.212 0.000 2.276 203 R HA -0.083 4.034 4.340 -0.373 0.000 0.196 203 R C 2.170 178.349 176.300 -0.201 0.000 0.961 203 R CA 1.065 57.027 56.100 -0.230 0.000 1.024 203 R CB 0.081 30.325 30.300 -0.095 0.000 0.940 203 R HN 0.018 8.126 8.270 -0.130 0.084 0.480 204 A N 0.452 123.173 122.820 -0.164 0.000 2.067 204 A HA -0.120 4.145 4.320 -0.091 0.000 0.219 204 A C 0.525 178.035 177.584 -0.124 0.000 1.158 204 A CA 2.505 54.476 52.037 -0.110 0.000 0.661 204 A CB -0.234 18.726 19.000 -0.067 0.000 0.801 204 A HN 0.661 8.570 8.150 -0.161 0.144 0.452 205 L N -4.576 116.538 121.223 -0.182 0.000 2.693 205 L HA 0.239 4.506 4.340 -0.122 0.000 0.235 205 L C -0.628 176.103 176.870 -0.231 0.000 1.127 205 L CA -0.940 53.797 54.840 -0.173 0.000 0.914 205 L CB 0.252 42.218 42.059 -0.155 0.000 1.193 205 L HN -0.533 7.513 8.230 -0.244 0.038 0.502 206 L N 0.000 121.055 121.223 -0.281 0.000 2.949 206 L HA 0.000 4.176 4.340 -0.274 0.000 0.249 206 L CA 0.000 54.677 54.840 -0.272 0.000 0.813 206 L CB 0.000 41.850 42.059 -0.349 0.000 0.961 206 L HN 0.000 7.850 8.230 -0.281 0.212 0.502