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 1tba_1_B DATA FIRST_RESID 61 DATA SEQUENCE SGIVPTLQNI VATVTLGCRL DLKTVALHAR NAEYNPKRFA AVIMRIREPK DATA SEQUENCE TTALIFASGK MVVTGAKSED DSKLASRKYA RIIQKIGFAA KFTDFKIQNI DATA SEQUENCE VGSCDVKFPI RLEGLAFSHG TFSSYEPELF PGLIYRMVKP KIVLLIFVSG DATA SEQUENCE KIVLTGAKQR EEIYQAFEAI YPVLSEFRKM 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 61 S HA 0.000 4.456 4.470 -0.023 0.000 0.327 61 S C 0.000 174.622 174.600 0.037 0.000 1.055 61 S CA 0.000 58.209 58.200 0.016 0.000 1.107 61 S CB 0.000 63.145 63.200 -0.091 0.000 0.593 62 G N 2.508 111.344 108.800 0.059 0.000 2.927 62 G HA2 0.089 4.073 3.960 0.040 0.000 0.234 62 G HA3 0.089 4.087 3.960 0.063 0.000 0.234 62 G C -1.210 173.755 174.900 0.109 0.000 3.444 62 G CA -0.331 44.809 45.100 0.068 0.000 0.715 62 G HN 0.328 8.658 8.290 0.067 0.000 0.422 63 I N -0.099 120.563 120.570 0.154 0.000 3.746 63 I HA 0.125 4.343 4.170 0.081 0.000 0.262 63 I C -0.947 175.176 176.117 0.011 0.000 1.153 63 I CA -0.253 61.130 61.300 0.138 0.000 1.395 63 I CB 0.620 38.829 38.000 0.348 0.000 1.589 63 I HN -0.437 7.868 8.210 0.159 0.000 0.441 64 V N -1.778 118.161 119.914 0.041 0.000 3.565 64 V HA -0.171 3.744 4.120 -0.343 0.000 0.508 64 V C -2.749 173.076 176.094 -0.448 0.000 0.682 64 V CA -0.483 61.667 62.300 -0.249 0.000 2.059 64 V CB -0.540 31.205 31.823 -0.130 0.000 2.484 64 V HN -0.193 8.182 8.190 0.309 0.000 0.510 65 P HA 0.095 4.179 4.420 -0.560 0.000 0.280 65 P C -1.380 175.783 177.300 -0.228 0.000 1.244 65 P CA -0.890 61.905 63.100 -0.509 0.000 0.784 65 P CB 0.913 32.351 31.700 -0.436 0.000 0.913 66 T N 4.620 119.091 114.554 -0.139 0.000 2.837 66 T HA 0.209 4.579 4.350 0.034 0.000 0.285 66 T C -0.259 174.450 174.700 0.014 0.000 0.984 66 T CA -1.128 60.959 62.100 -0.022 0.000 1.049 66 T CB 1.325 70.169 68.868 -0.040 0.000 0.947 66 T HN 0.379 8.506 8.240 -0.188 0.000 0.472 67 L N 5.201 126.461 121.223 0.061 0.000 2.416 67 L HA -0.099 4.419 4.340 0.062 -0.142 0.272 67 L C -0.025 176.867 176.870 0.036 0.000 1.161 67 L CA 0.983 55.858 54.840 0.059 0.000 0.845 67 L CB -0.234 41.869 42.059 0.073 0.000 1.119 67 L HN 0.550 8.831 8.230 0.084 0.000 0.464 68 Q N 0.375 120.196 119.800 0.034 0.000 2.391 68 Q HA 0.166 4.519 4.340 0.022 0.000 0.243 68 Q C 0.014 176.035 176.000 0.036 0.000 0.874 68 Q CA 0.261 56.080 55.803 0.027 0.000 0.950 68 Q CB 3.101 31.851 28.738 0.021 0.000 1.103 68 Q HN 0.903 9.081 8.270 0.039 0.115 0.544 69 N N -3.463 115.264 118.700 0.045 0.000 3.227 69 N HA 0.458 5.404 4.740 0.052 -0.175 0.241 69 N C -2.729 172.818 175.510 0.062 0.000 1.480 69 N CA 0.439 53.520 53.050 0.052 0.000 0.886 69 N CB 4.151 42.668 38.487 0.050 0.000 1.406 69 N HN -0.721 7.687 8.380 0.047 0.000 0.514 70 I N -2.047 118.566 120.570 0.072 0.000 3.095 70 I HA 0.512 4.831 4.170 0.071 -0.106 0.310 70 I C -2.920 173.252 176.117 0.093 0.000 1.196 70 I CA -1.617 59.731 61.300 0.080 0.000 0.985 70 I CB 5.352 43.406 38.000 0.090 0.000 1.250 70 I HN 0.699 8.891 8.210 0.074 0.063 0.446 71 V N 3.124 123.093 119.914 0.091 0.000 2.638 71 V HA 0.675 5.018 4.120 0.112 -0.156 0.306 71 V C -2.283 173.877 176.094 0.109 0.000 1.052 71 V CA -2.198 60.163 62.300 0.100 0.000 0.885 71 V CB 3.743 35.614 31.823 0.080 0.000 0.999 71 V HN 0.485 8.722 8.190 0.078 0.000 0.424 72 A N 6.183 129.097 122.820 0.156 0.000 2.515 72 A HA 0.905 5.408 4.320 0.069 -0.142 0.296 72 A C -2.111 175.580 177.584 0.178 0.000 1.094 72 A CA -1.778 50.359 52.037 0.167 0.000 0.718 72 A CB 4.350 23.575 19.000 0.375 0.000 1.307 72 A HN 1.028 9.279 8.150 0.168 0.000 0.408 73 T N 1.574 116.211 114.554 0.139 0.000 2.859 73 T HA 0.735 5.255 4.350 0.089 -0.117 0.281 73 T C -0.916 173.890 174.700 0.178 0.000 1.005 73 T CA -0.980 61.191 62.100 0.120 0.000 1.025 73 T CB 1.519 70.438 68.868 0.085 0.000 0.977 73 T HN -0.034 8.252 8.240 0.077 0.000 0.458 74 V N 5.335 125.323 119.914 0.123 0.000 3.040 74 V HA 0.217 4.630 4.120 0.243 -0.147 0.312 74 V C -1.677 174.455 176.094 0.063 0.000 1.115 74 V CA -1.290 61.111 62.300 0.168 0.000 0.998 74 V CB 3.697 35.639 31.823 0.198 0.000 1.042 74 V HN 1.326 9.411 8.190 0.029 0.123 0.433 75 T N 4.449 119.055 114.554 0.086 0.000 2.881 75 T HA 0.530 5.030 4.350 -0.007 -0.154 0.290 75 T C 0.161 174.890 174.700 0.048 0.000 1.000 75 T CA -1.053 61.068 62.100 0.036 0.000 0.978 75 T CB 1.690 70.581 68.868 0.039 0.000 0.997 75 T HN 0.607 8.929 8.240 0.137 0.000 0.443 76 L N 4.695 125.928 121.223 0.016 0.000 2.418 76 L HA 0.087 4.661 4.340 0.065 -0.195 0.218 76 L C 1.264 178.150 176.870 0.027 0.000 1.125 76 L CA 0.675 55.533 54.840 0.029 0.000 0.835 76 L CB 0.040 42.093 42.059 -0.011 0.000 0.953 76 L HN 0.191 8.289 8.230 -0.018 0.121 0.454 77 G N -2.988 105.822 108.800 0.015 0.000 2.184 77 G HA2 -0.358 3.610 3.960 0.014 0.000 0.264 77 G HA3 -0.358 3.614 3.960 0.020 0.000 0.264 77 G C -0.759 174.148 174.900 0.011 0.000 0.975 77 G CA 0.593 45.702 45.100 0.016 0.000 0.642 77 G HN 0.336 8.596 8.290 0.009 0.035 0.536 78 C N -1.653 117.647 119.300 0.000 0.000 2.888 78 C HA 0.288 4.751 4.460 0.005 0.000 0.308 78 C C -0.951 174.013 174.990 -0.043 0.000 1.213 78 C CA -2.263 56.752 59.018 -0.004 0.000 1.461 78 C CB 3.584 31.336 27.740 0.020 0.000 1.934 78 C HN -0.359 7.795 8.230 -0.008 0.071 0.474 79 R N 1.810 122.284 120.500 -0.043 0.000 2.582 79 R HA 0.290 4.745 4.340 -0.088 -0.168 0.271 79 R C -1.170 175.021 176.300 -0.182 0.000 1.078 79 R CA -0.238 55.810 56.100 -0.086 0.000 1.127 79 R CB 0.741 31.012 30.300 -0.048 0.000 1.038 79 R HN 0.095 8.355 8.270 -0.017 0.000 0.500 80 L N -0.902 120.150 121.223 -0.285 0.000 2.303 80 L HA 0.329 4.204 4.340 -0.774 0.000 0.256 80 L C -0.792 175.829 176.870 -0.415 0.000 1.034 80 L CA -1.698 52.784 54.840 -0.596 0.000 0.832 80 L CB 3.329 44.943 42.059 -0.741 0.000 1.403 80 L HN -0.466 7.633 8.230 -0.219 0.000 0.419 81 D N 0.959 121.091 120.400 -0.447 0.000 2.479 81 D HA 0.261 4.797 4.640 -0.174 0.000 0.218 81 D C 0.812 176.943 176.300 -0.282 0.000 1.131 81 D CA -1.000 52.873 54.000 -0.212 0.000 0.916 81 D CB -0.032 40.757 40.800 -0.018 0.000 1.022 81 D HN 0.187 8.088 8.370 -0.781 0.000 0.515 82 L N 4.408 125.428 121.223 -0.339 0.000 2.034 82 L HA -0.500 3.591 4.340 -0.414 0.000 0.217 82 L C 1.354 177.894 176.870 -0.550 0.000 1.077 82 L CA 3.819 58.359 54.840 -0.500 0.000 0.769 82 L CB -0.430 41.221 42.059 -0.679 0.000 0.890 82 L HN -0.035 8.019 8.230 -0.293 0.000 0.435 83 K N -2.740 117.390 120.400 -0.450 0.000 2.044 83 K HA -0.316 3.826 4.320 -0.297 0.000 0.210 83 K C 2.489 178.997 176.600 -0.152 0.000 1.049 83 K CA 2.933 59.062 56.287 -0.263 0.000 0.927 83 K CB -1.184 31.246 32.500 -0.116 0.000 0.713 83 K HN 0.064 8.085 8.250 -0.376 0.003 0.443 84 T N 2.287 116.747 114.554 -0.157 0.000 2.896 84 T HA -0.180 4.041 4.350 -0.215 0.000 0.263 84 T C 1.963 176.551 174.700 -0.188 0.000 1.050 84 T CA 3.790 65.744 62.100 -0.243 0.000 1.140 84 T CB -0.076 68.633 68.868 -0.265 0.000 0.877 84 T HN -0.801 7.448 8.240 -0.152 -0.100 0.457 85 V N 2.780 122.625 119.914 -0.115 0.000 2.282 85 V HA -0.548 3.619 4.120 0.079 0.000 0.249 85 V C 1.414 177.516 176.094 0.013 0.000 1.057 85 V CA 4.802 67.075 62.300 -0.045 0.000 1.032 85 V CB -0.748 30.960 31.823 -0.192 0.000 0.645 85 V HN 0.611 8.580 8.190 -0.172 0.118 0.447 86 A N -1.634 121.164 122.820 -0.036 0.000 2.014 86 A HA -0.137 4.224 4.320 0.068 0.000 0.218 86 A C 1.411 179.058 177.584 0.106 0.000 1.163 86 A CA 2.850 54.915 52.037 0.046 0.000 0.652 86 A CB -0.395 18.631 19.000 0.043 0.000 0.808 86 A HN -0.120 7.949 8.150 -0.134 0.000 0.449 87 L N -3.500 117.796 121.223 0.122 0.000 2.179 87 L HA -0.214 4.221 4.340 0.158 0.000 0.208 87 L C 1.412 178.487 176.870 0.341 0.000 1.096 87 L CA 1.888 56.856 54.840 0.214 0.000 0.779 87 L CB -0.004 42.190 42.059 0.225 0.000 0.922 87 L HN -0.759 7.385 8.230 0.056 0.119 0.443 88 H N -3.435 115.672 119.070 0.061 0.000 2.520 88 H HA 0.013 4.594 4.556 0.042 0.000 0.279 88 H C 0.127 175.491 175.328 0.060 0.000 0.990 88 H CA 0.512 56.596 56.048 0.060 0.000 1.288 88 H CB 0.520 30.334 29.762 0.088 0.000 1.446 88 H HN 0.261 8.545 8.280 0.333 0.196 0.538 89 A N -0.159 122.779 122.820 0.197 0.000 2.450 89 A HA -0.049 4.347 4.320 0.127 0.000 0.255 89 A C 0.514 178.157 177.584 0.097 0.000 1.096 89 A CA 0.053 52.168 52.037 0.130 0.000 0.778 89 A CB 0.798 19.867 19.000 0.114 0.000 1.031 89 A HN -0.164 8.007 8.150 0.201 0.100 0.494 90 R N 1.594 122.139 120.500 0.074 0.000 2.148 90 R HA -0.254 4.114 4.340 0.047 0.000 0.227 90 R C -0.248 176.088 176.300 0.060 0.000 1.103 90 R CA 1.924 58.056 56.100 0.054 0.000 0.983 90 R CB 0.324 30.645 30.300 0.035 0.000 0.874 90 R HN 0.425 8.738 8.270 0.072 0.000 0.451 91 N N -1.583 117.162 118.700 0.074 0.000 2.790 91 N HA 0.070 4.852 4.740 0.071 0.000 0.256 91 N C -2.169 173.402 175.510 0.100 0.000 1.409 91 N CA -0.549 52.549 53.050 0.081 0.000 0.799 91 N CB 0.160 38.693 38.487 0.077 0.000 1.170 91 N HN -0.219 8.188 8.380 0.082 0.021 0.507 92 A N 0.238 123.117 122.820 0.099 0.000 2.539 92 A HA 0.729 5.369 4.320 0.107 -0.255 0.296 92 A C -1.612 176.046 177.584 0.123 0.000 1.073 92 A CA -1.318 50.784 52.037 0.108 0.000 0.700 92 A CB 3.381 22.441 19.000 0.101 0.000 1.296 92 A HN -0.167 8.039 8.150 0.093 0.000 0.405 93 E N -0.424 119.866 120.200 0.150 0.000 2.272 93 E HA 0.376 4.824 4.350 0.162 0.000 0.269 93 E C -2.215 174.562 176.600 0.296 0.000 0.877 93 E CA -1.174 55.333 56.400 0.177 0.000 0.755 93 E CB 3.964 33.738 29.700 0.124 0.000 1.192 93 E HN 0.180 8.590 8.360 0.151 0.041 0.422 94 Y N 5.145 125.517 120.300 0.120 0.000 2.426 94 Y HA 0.274 4.961 4.550 0.229 0.000 0.325 94 Y C -1.710 174.285 175.900 0.159 0.000 0.989 94 Y CA -1.220 56.974 58.100 0.156 0.000 1.284 94 Y CB 1.068 39.583 38.460 0.092 0.000 1.104 94 Y HN 0.112 8.563 8.280 0.284 0.000 0.481 95 N N 7.506 126.178 118.700 -0.047 0.000 2.469 95 N HA 0.462 5.088 4.740 -0.190 0.000 0.253 95 N C -1.535 173.844 175.510 -0.218 0.000 0.970 95 N CA -3.599 49.358 53.050 -0.156 0.000 0.940 95 N CB 1.813 40.262 38.487 -0.064 0.000 1.128 95 N HN 0.165 8.707 8.380 0.269 0.000 0.503 96 P HA 0.261 4.666 4.420 -0.278 -0.152 0.229 96 P C 0.013 177.266 177.300 -0.079 0.000 1.160 96 P CA 0.902 63.843 63.100 -0.265 0.000 0.777 96 P CB 0.821 32.364 31.700 -0.260 0.000 0.814 97 K N -3.740 116.618 120.400 -0.071 0.000 2.365 97 K HA -0.097 4.204 4.320 -0.030 0.000 0.197 97 K C 1.112 177.696 176.600 -0.027 0.000 1.042 97 K CA 0.829 57.092 56.287 -0.040 0.000 0.987 97 K CB -0.173 32.298 32.500 -0.049 0.000 0.779 97 K HN -0.188 7.950 8.250 -0.101 0.050 0.484 98 R N -2.241 118.246 120.500 -0.023 0.000 2.142 98 R HA 0.057 4.350 4.340 -0.079 0.000 0.204 98 R C -0.187 176.171 176.300 0.096 0.000 1.059 98 R CA 0.855 56.909 56.100 -0.077 0.000 1.055 98 R CB 1.746 31.869 30.300 -0.296 0.000 0.976 98 R HN -0.514 7.597 8.270 -0.011 0.152 0.483 99 F N -6.237 113.673 119.950 -0.066 0.000 3.485 99 F HA 0.196 4.691 4.527 -0.054 0.000 0.328 99 F C -3.042 172.746 175.800 -0.020 0.000 1.111 99 F CA -3.108 54.862 58.000 -0.049 0.000 0.847 99 F CB 1.115 40.086 39.000 -0.047 0.000 1.558 99 F HN -0.443 8.175 8.300 0.531 0.000 0.491 100 A N -0.222 122.437 122.820 -0.268 0.000 3.154 100 A HA 0.396 4.707 4.320 -0.015 0.000 0.310 100 A C -2.383 174.897 177.584 -0.506 0.000 1.093 100 A CA -1.034 50.856 52.037 -0.244 0.000 1.006 100 A CB -0.303 18.626 19.000 -0.119 0.000 1.084 100 A HN 0.187 8.183 8.150 -0.256 0.000 0.549 101 A N -2.194 119.944 122.820 -1.136 0.000 2.593 101 A HA 0.417 4.570 4.320 -0.278 0.000 0.290 101 A C -2.523 174.948 177.584 -0.189 0.000 1.126 101 A CA -0.816 50.803 52.037 -0.697 0.000 0.695 101 A CB 3.123 21.665 19.000 -0.763 0.000 1.290 101 A HN -0.472 6.518 8.150 -1.847 0.052 0.414 102 V N -1.772 118.177 119.914 0.058 0.000 3.109 102 V HA 0.504 5.010 4.120 0.412 -0.139 0.317 102 V C -0.894 175.364 176.094 0.273 0.000 1.074 102 V CA -1.740 60.694 62.300 0.223 0.000 1.033 102 V CB 3.029 34.866 31.823 0.024 0.000 1.111 102 V HN -0.222 7.959 8.190 -0.014 0.000 0.458 103 I N 1.208 121.919 120.570 0.235 0.000 2.448 103 I HA 0.419 4.836 4.170 0.121 -0.175 0.281 103 I C -0.968 175.191 176.117 0.070 0.000 1.027 103 I CA -1.935 59.454 61.300 0.149 0.000 1.111 103 I CB 0.275 38.378 38.000 0.172 0.000 1.236 103 I HN 0.170 8.497 8.210 0.232 0.022 0.452 104 M N 7.627 127.214 119.600 -0.021 0.000 2.283 104 M HA 0.656 5.412 4.480 0.110 -0.209 0.314 104 M C -1.411 174.970 176.300 0.136 0.000 1.153 104 M CA -0.084 55.251 55.300 0.058 0.000 1.084 104 M CB 3.518 36.136 32.600 0.029 0.000 1.468 104 M HN 0.725 8.855 8.290 -0.121 0.087 0.474 105 R N 0.525 121.198 120.500 0.289 0.000 2.579 105 R HA 0.436 5.125 4.340 0.355 -0.135 0.260 105 R C -1.944 174.472 176.300 0.193 0.000 1.103 105 R CA -0.654 55.607 56.100 0.269 0.000 0.942 105 R CB 3.467 33.849 30.300 0.136 0.000 1.251 105 R HN -0.261 8.174 8.270 0.274 0.000 0.450 106 I N 0.007 120.654 120.570 0.127 0.000 2.934 106 I HA 0.686 4.857 4.170 0.002 0.000 0.306 106 I C -1.368 174.744 176.117 -0.008 0.000 1.110 106 I CA -2.462 58.832 61.300 -0.010 0.000 1.019 106 I CB 4.259 42.152 38.000 -0.178 0.000 1.227 106 I HN 0.196 8.521 8.210 0.191 0.000 0.434 107 R N -1.483 119.003 120.500 -0.023 0.000 2.466 107 R HA 0.057 4.396 4.340 -0.001 0.000 0.279 107 R C -1.272 175.009 176.300 -0.033 0.000 0.976 107 R CA 0.005 56.096 56.100 -0.015 0.000 1.081 107 R CB 0.114 30.409 30.300 -0.009 0.000 1.215 107 R HN 0.273 8.524 8.270 -0.032 0.000 0.546 108 E N -1.339 118.825 120.200 -0.061 0.000 2.712 108 E HA 0.252 4.571 4.350 -0.050 0.000 0.372 108 E C -2.181 174.354 176.600 -0.110 0.000 1.058 108 E CA -1.584 54.775 56.400 -0.069 0.000 0.747 108 E CB 2.252 31.913 29.700 -0.064 0.000 1.596 108 E HN -0.268 7.964 8.360 -0.081 0.080 0.380 109 P HA 0.155 4.551 4.420 -0.041 0.000 0.276 109 P C -1.011 176.270 177.300 -0.032 0.000 1.252 109 P CA -0.796 62.273 63.100 -0.051 0.000 0.802 109 P CB 0.897 32.575 31.700 -0.036 0.000 1.035 110 K N 1.479 121.875 120.400 -0.006 0.000 2.054 110 K HA 0.103 4.680 4.320 0.012 -0.249 0.242 110 K C -0.294 176.331 176.600 0.043 0.000 1.157 110 K CA -0.166 56.130 56.287 0.015 0.000 1.079 110 K CB -1.192 31.316 32.500 0.014 0.000 1.331 110 K HN 0.212 8.458 8.250 -0.006 0.000 0.317 111 T N 1.944 116.542 114.554 0.073 0.000 2.831 111 T HA 0.567 4.974 4.350 0.094 0.000 0.287 111 T C -1.743 173.078 174.700 0.201 0.000 1.070 111 T CA -2.233 59.943 62.100 0.126 0.000 1.010 111 T CB 3.245 72.200 68.868 0.145 0.000 1.264 111 T HN -0.066 8.190 8.240 0.062 0.021 0.532 112 T N 0.426 115.083 114.554 0.172 0.000 2.906 112 T HA 0.539 5.106 4.350 0.183 -0.106 0.295 112 T C -2.616 172.044 174.700 -0.067 0.000 1.075 112 T CA -2.047 60.119 62.100 0.111 0.000 1.005 112 T CB 2.103 71.006 68.868 0.059 0.000 1.136 112 T HN 0.542 8.863 8.240 0.135 0.000 0.498 113 A N 2.422 125.061 122.820 -0.302 0.000 2.606 113 A HA 0.950 5.246 4.320 -0.274 -0.140 0.293 113 A C -2.832 174.583 177.584 -0.283 0.000 1.082 113 A CA -1.368 50.379 52.037 -0.484 0.000 0.685 113 A CB 3.462 21.630 19.000 -1.387 0.000 1.284 113 A HN 0.645 8.665 8.150 -0.217 0.000 0.408 114 L N -3.493 117.628 121.223 -0.171 0.000 2.404 114 L HA 0.903 5.478 4.340 0.053 -0.203 0.272 114 L C -1.155 175.577 176.870 -0.231 0.000 0.980 114 L CA -0.938 53.914 54.840 0.020 0.000 0.836 114 L CB 1.916 44.181 42.059 0.343 0.000 1.238 114 L HN 0.256 8.370 8.230 -0.194 0.000 0.408 115 I N 1.736 122.163 120.570 -0.237 0.000 2.488 115 I HA 0.095 3.786 4.170 -0.800 0.000 0.299 115 I C -1.042 174.961 176.117 -0.189 0.000 0.984 115 I CA -0.390 60.638 61.300 -0.453 0.000 1.250 115 I CB 2.483 40.323 38.000 -0.267 0.000 1.389 115 I HN -0.270 7.874 8.210 -0.110 0.000 0.488 116 F N 1.901 121.778 119.950 -0.122 0.000 2.440 116 F HA 0.430 4.828 4.527 -0.215 0.000 0.328 116 F C 1.333 177.036 175.800 -0.161 0.000 1.070 116 F CA -3.382 54.524 58.000 -0.156 0.000 1.011 116 F CB 0.786 39.721 39.000 -0.108 0.000 1.226 116 F HN 0.340 8.209 8.300 -0.719 0.000 0.491 117 A N 1.279 124.117 122.820 0.030 0.000 2.125 117 A HA -0.190 4.049 4.320 -0.135 0.000 0.219 117 A C 0.557 178.118 177.584 -0.039 0.000 1.156 117 A CA 2.647 54.643 52.037 -0.067 0.000 0.671 117 A CB -0.368 18.586 19.000 -0.077 0.000 0.794 117 A HN 0.836 9.002 8.150 0.026 0.000 0.459 118 S N -5.279 110.440 115.700 0.031 0.000 2.603 118 S HA -0.149 4.322 4.470 0.001 0.000 0.220 118 S C 1.323 175.928 174.600 0.008 0.000 0.967 118 S CA 0.175 58.391 58.200 0.027 0.000 0.920 118 S CB -0.515 62.728 63.200 0.071 0.000 0.773 118 S HN -0.169 8.143 8.310 0.105 0.061 0.529 119 G N 1.832 110.613 108.800 -0.031 0.000 2.299 119 G HA2 -0.384 3.527 3.960 -0.108 0.000 0.237 119 G HA3 -0.384 3.601 3.960 -0.043 -0.051 0.237 119 G C -0.497 174.350 174.900 -0.088 0.000 1.027 119 G CA 0.122 45.181 45.100 -0.068 0.000 0.619 119 G HN 0.194 8.270 8.290 -0.038 0.192 0.513 120 K N 4.830 125.208 120.400 -0.036 0.000 2.416 120 K HA 0.028 4.446 4.320 -0.060 -0.134 0.283 120 K C -0.896 175.384 176.600 -0.534 0.000 1.037 120 K CA 0.779 57.018 56.287 -0.080 0.000 0.995 120 K CB 0.721 33.315 32.500 0.156 0.000 0.938 120 K HN -0.679 7.483 8.250 0.042 0.113 0.475 121 M N 2.732 122.020 119.600 -0.520 0.000 2.593 121 M HA 0.728 4.320 4.480 -1.685 -0.124 0.290 121 M C -2.531 173.510 176.300 -0.433 0.000 1.244 121 M CA -1.420 53.386 55.300 -0.823 0.000 0.857 121 M CB 4.894 37.208 32.600 -0.478 0.000 1.738 121 M HN 1.216 9.237 8.290 -0.253 0.117 0.461 122 V N 0.835 120.530 119.914 -0.364 0.000 2.487 122 V HA 0.560 4.797 4.120 -0.013 -0.124 0.298 122 V C -1.695 174.354 176.094 -0.075 0.000 1.028 122 V CA -1.485 60.771 62.300 -0.073 0.000 0.860 122 V CB 2.332 34.206 31.823 0.085 0.000 0.991 122 V HN 0.265 8.150 8.190 -0.510 0.000 0.427 123 V N 8.528 128.443 119.914 0.001 0.000 2.513 123 V HA 0.525 4.693 4.120 -0.115 -0.117 0.299 123 V C -1.438 174.706 176.094 0.083 0.000 1.035 123 V CA -1.222 61.082 62.300 0.005 0.000 0.889 123 V CB 2.597 34.478 31.823 0.096 0.000 0.988 123 V HN 1.129 9.359 8.190 0.067 0.000 0.440 124 T N 3.537 118.138 114.554 0.078 0.000 2.883 124 T HA 0.749 5.326 4.350 0.104 -0.164 0.301 124 T C -0.871 173.888 174.700 0.097 0.000 1.158 124 T CA -2.283 59.872 62.100 0.091 0.000 1.007 124 T CB 2.556 71.466 68.868 0.070 0.000 1.186 124 T HN 0.815 9.087 8.240 0.053 0.000 0.499 125 G N 4.670 113.523 108.800 0.087 0.000 2.296 125 G HA2 -0.273 3.726 3.960 0.064 0.000 0.188 125 G HA3 -0.273 3.738 3.960 0.085 0.000 0.188 125 G C -1.438 173.504 174.900 0.070 0.000 1.000 125 G CA -0.007 45.139 45.100 0.076 0.000 0.672 125 G HN -0.107 8.233 8.290 0.084 0.000 0.483 126 A N -0.471 122.397 122.820 0.081 0.000 2.332 126 A HA -0.087 4.265 4.320 0.054 0.000 0.258 126 A C -1.094 176.530 177.584 0.065 0.000 1.087 126 A CA -0.121 51.959 52.037 0.071 0.000 0.802 126 A CB 1.380 20.436 19.000 0.093 0.000 1.042 126 A HN -0.373 7.777 8.150 0.097 0.059 0.489 127 K N -1.496 118.937 120.400 0.055 0.000 2.358 127 K HA 0.147 4.498 4.320 0.052 0.000 0.200 127 K C -0.994 175.639 176.600 0.056 0.000 1.030 127 K CA 0.191 56.508 56.287 0.051 0.000 1.097 127 K CB 0.718 33.241 32.500 0.038 0.000 0.862 127 K HN 0.146 8.610 8.250 0.049 -0.185 0.534 128 S N -2.596 113.144 115.700 0.066 0.000 2.724 128 S HA 0.212 4.721 4.470 0.064 0.000 0.278 128 S C -0.630 174.031 174.600 0.101 0.000 1.190 128 S CA -1.232 57.009 58.200 0.069 0.000 0.860 128 S CB 1.582 64.813 63.200 0.052 0.000 1.206 128 S HN -0.850 7.451 8.310 0.071 0.052 0.507 129 E N 1.613 121.876 120.200 0.104 0.000 2.006 129 E HA -0.261 4.227 4.350 0.230 0.000 0.192 129 E C 1.455 178.157 176.600 0.171 0.000 0.993 129 E CA 4.054 60.556 56.400 0.169 0.000 0.808 129 E CB -0.272 29.505 29.700 0.128 0.000 0.764 129 E HN 0.553 8.959 8.360 0.077 0.000 0.449 130 D N -2.731 117.732 120.400 0.105 0.000 2.182 130 D HA -0.281 4.402 4.640 0.071 0.000 0.201 130 D C 1.933 178.254 176.300 0.035 0.000 0.986 130 D CA 3.285 57.324 54.000 0.065 0.000 0.847 130 D CB -0.770 40.056 40.800 0.043 0.000 0.942 130 D HN 0.127 8.550 8.370 0.087 0.000 0.467 131 D N -1.158 119.270 120.400 0.047 0.000 2.117 131 D HA -0.175 4.468 4.640 0.004 0.000 0.198 131 D C 2.342 178.655 176.300 0.022 0.000 0.982 131 D CA 3.118 57.134 54.000 0.027 0.000 0.828 131 D CB -0.308 40.518 40.800 0.042 0.000 0.967 131 D HN 0.081 8.466 8.370 0.062 0.022 0.464 132 S N -0.144 115.601 115.700 0.075 0.000 2.395 132 S HA -0.264 4.244 4.470 0.062 0.000 0.225 132 S C 1.695 176.215 174.600 -0.135 0.000 1.027 132 S CA 3.225 61.472 58.200 0.077 0.000 0.965 132 S CB -0.110 63.255 63.200 0.275 0.000 0.812 132 S HN -0.472 7.825 8.310 0.120 0.085 0.482 133 K N 2.246 122.549 120.400 -0.161 0.000 2.113 133 K HA -0.348 3.337 4.320 -1.059 0.000 0.208 133 K C 2.347 178.734 176.600 -0.355 0.000 1.047 133 K CA 3.687 59.713 56.287 -0.435 0.000 0.928 133 K CB -0.069 32.379 32.500 -0.087 0.000 0.716 133 K HN 0.182 8.461 8.250 0.049 0.000 0.446 134 L N -1.952 119.144 121.223 -0.212 0.000 2.068 134 L HA -0.288 3.908 4.340 -0.241 0.000 0.204 134 L C 1.366 178.075 176.870 -0.268 0.000 1.076 134 L CA 2.845 57.554 54.840 -0.218 0.000 0.753 134 L CB -0.071 41.908 42.059 -0.133 0.000 0.910 134 L HN -0.588 7.552 8.230 -0.134 0.009 0.439 135 A N -1.164 121.530 122.820 -0.209 0.000 1.917 135 A HA -0.458 3.665 4.320 -0.327 0.000 0.219 135 A C 2.106 179.541 177.584 -0.248 0.000 1.182 135 A CA 3.341 55.241 52.037 -0.229 0.000 0.633 135 A CB -0.944 18.034 19.000 -0.037 0.000 0.819 135 A HN -0.506 7.555 8.150 -0.148 0.000 0.448 136 S N -0.915 114.669 115.700 -0.194 0.000 2.343 136 S HA -0.381 4.188 4.470 0.166 0.000 0.219 136 S C 2.182 176.556 174.600 -0.377 0.000 1.033 136 S CA 3.772 61.874 58.200 -0.164 0.000 1.014 136 S CB -0.759 62.223 63.200 -0.364 0.000 0.915 136 S HN 0.009 8.168 8.310 -0.245 0.003 0.435 137 R N 1.522 121.616 120.500 -0.677 0.000 2.119 137 R HA -0.433 3.302 4.340 -1.008 0.000 0.246 137 R C 2.549 178.610 176.300 -0.398 0.000 1.146 137 R CA 3.533 59.195 56.100 -0.730 0.000 0.962 137 R CB -0.220 29.687 30.300 -0.655 0.000 0.863 137 R HN -0.749 7.093 8.270 -0.713 0.000 0.442 138 K N -1.027 119.146 120.400 -0.379 0.000 2.009 138 K HA -0.287 3.877 4.320 -0.261 0.000 0.210 138 K C 2.623 179.054 176.600 -0.282 0.000 1.049 138 K CA 2.895 58.971 56.287 -0.352 0.000 0.929 138 K CB -0.614 31.592 32.500 -0.490 0.000 0.714 138 K HN -0.412 7.590 8.250 -0.409 0.003 0.440 139 Y N -1.222 118.994 120.300 -0.140 0.000 2.070 139 Y HA -0.428 4.080 4.550 -0.070 0.000 0.280 139 Y C 2.184 178.026 175.900 -0.097 0.000 1.148 139 Y CA 2.881 60.920 58.100 -0.101 0.000 1.125 139 Y CB -0.727 37.670 38.460 -0.104 0.000 0.975 139 Y HN -0.563 7.430 8.280 -0.478 0.000 0.492 140 A N -2.713 120.132 122.820 0.043 0.000 1.986 140 A HA -0.456 3.882 4.320 0.030 0.000 0.220 140 A C 2.171 179.757 177.584 0.003 0.000 1.171 140 A CA 3.149 55.189 52.037 0.005 0.000 0.640 140 A CB -0.867 18.104 19.000 -0.048 0.000 0.811 140 A HN 0.226 8.383 8.150 0.012 0.000 0.451 141 R N -1.489 118.986 120.500 -0.040 0.000 2.062 141 R HA -0.222 4.296 4.340 -0.008 -0.182 0.229 141 R C 2.549 178.859 176.300 0.017 0.000 1.128 141 R CA 3.012 59.097 56.100 -0.024 0.000 0.960 141 R CB -0.007 30.249 30.300 -0.074 0.000 0.855 141 R HN -0.355 7.733 8.270 -0.089 0.129 0.432 142 I N -0.049 120.536 120.570 0.024 0.000 2.236 142 I HA -0.555 3.643 4.170 0.046 0.000 0.249 142 I C 1.865 178.042 176.117 0.100 0.000 1.102 142 I CA 4.159 65.495 61.300 0.061 0.000 1.365 142 I CB -0.457 37.598 38.000 0.091 0.000 1.051 142 I HN -0.037 8.103 8.210 0.003 0.071 0.420 143 I N -1.764 118.867 120.570 0.101 0.000 2.163 143 I HA -0.512 3.787 4.170 0.214 0.000 0.240 143 I C 2.193 178.425 176.117 0.193 0.000 1.081 143 I CA 2.484 63.879 61.300 0.159 0.000 1.353 143 I CB -1.236 36.813 38.000 0.082 0.000 1.054 143 I HN -0.781 7.463 8.210 0.077 0.012 0.407 144 Q N -1.247 118.626 119.800 0.123 0.000 2.226 144 Q HA -0.268 4.369 4.340 0.123 -0.223 0.204 144 Q C 2.366 178.408 176.000 0.070 0.000 0.975 144 Q CA 2.491 58.354 55.803 0.099 0.000 0.866 144 Q CB -0.051 28.727 28.738 0.067 0.000 0.915 144 Q HN -0.629 7.695 8.270 0.091 0.000 0.440 145 K N -1.295 119.143 120.400 0.063 0.000 2.296 145 K HA -0.184 4.151 4.320 0.024 0.000 0.200 145 K C 0.825 177.456 176.600 0.052 0.000 1.048 145 K CA 1.874 58.185 56.287 0.041 0.000 0.966 145 K CB -0.125 32.392 32.500 0.029 0.000 0.754 145 K HN 0.355 8.420 8.250 0.067 0.226 0.466 146 I N -2.437 118.193 120.570 0.100 0.000 2.876 146 I HA -0.181 4.047 4.170 0.098 0.000 0.264 146 I C 0.863 177.002 176.117 0.036 0.000 1.204 146 I CA 1.286 62.662 61.300 0.125 0.000 1.485 146 I CB 1.041 39.198 38.000 0.262 0.000 1.103 146 I HN -0.497 7.617 8.210 0.129 0.173 0.446 147 G N -2.221 106.580 108.800 0.002 0.000 2.480 147 G HA2 -0.278 3.647 3.960 -0.059 0.000 0.193 147 G HA3 -0.278 3.571 3.960 -0.185 0.000 0.193 147 G C 0.078 174.889 174.900 -0.148 0.000 1.004 147 G CA -0.306 44.728 45.100 -0.110 0.000 0.696 147 G HN -0.597 7.579 8.290 0.066 0.153 0.478 148 F N 0.267 120.229 119.950 0.020 0.000 2.514 148 F HA -0.105 4.421 4.527 -0.001 0.000 0.309 148 F C -0.134 175.671 175.800 0.008 0.000 1.279 148 F CA -0.095 57.908 58.000 0.004 0.000 1.304 148 F CB 0.799 39.795 39.000 -0.007 0.000 1.223 148 F HN -0.825 7.527 8.300 0.086 0.000 0.563 149 A N -0.210 122.773 122.820 0.272 0.000 2.827 149 A HA 0.112 4.498 4.320 0.111 0.000 0.300 149 A C -1.629 176.022 177.584 0.112 0.000 1.237 149 A CA -0.943 51.178 52.037 0.141 0.000 0.964 149 A CB -0.497 18.569 19.000 0.110 0.000 1.143 149 A HN 0.375 8.748 8.150 0.372 0.000 0.554 150 A N -1.258 121.633 122.820 0.118 0.000 2.483 150 A HA -0.059 4.285 4.320 0.041 0.000 0.238 150 A C -0.782 176.849 177.584 0.079 0.000 1.070 150 A CA 0.463 52.540 52.037 0.067 0.000 0.770 150 A CB 0.430 19.459 19.000 0.049 0.000 1.008 150 A HN -0.238 7.944 8.150 0.170 0.070 0.497 151 K N 1.008 121.458 120.400 0.083 0.000 2.359 151 K HA 0.268 4.659 4.320 0.117 0.000 0.261 151 K C -1.152 175.576 176.600 0.213 0.000 1.050 151 K CA -1.170 55.188 56.287 0.118 0.000 1.053 151 K CB 2.288 34.837 32.500 0.080 0.000 1.492 151 K HN -0.629 7.546 8.250 0.066 0.114 0.640 152 F N 0.099 120.055 119.950 0.011 0.000 2.971 152 F HA 0.347 4.878 4.527 0.006 0.000 0.373 152 F C -2.099 173.720 175.800 0.032 0.000 1.288 152 F CA -1.458 56.547 58.000 0.009 0.000 1.204 152 F CB 0.140 39.134 39.000 -0.009 0.000 1.852 152 F HN 0.191 8.598 8.300 0.179 0.000 0.624 153 T N 2.838 117.410 114.554 0.029 0.000 2.778 153 T HA 0.220 4.368 4.350 -0.337 0.000 0.293 153 T C -1.337 173.390 174.700 0.046 0.000 1.144 153 T CA -0.976 61.054 62.100 -0.115 0.000 1.010 153 T CB 2.454 71.271 68.868 -0.085 0.000 1.325 153 T HN -0.168 8.168 8.240 0.160 0.000 0.515 154 D N -1.444 118.972 120.400 0.026 0.000 3.041 154 D HA -0.362 4.291 4.640 0.021 0.000 0.220 154 D C -2.095 174.286 176.300 0.135 0.000 1.157 154 D CA 1.134 55.169 54.000 0.058 0.000 0.876 154 D CB -0.374 40.459 40.800 0.056 0.000 1.107 154 D HN 0.298 8.653 8.370 -0.026 0.000 0.422 155 F N -0.978 118.987 119.950 0.025 0.000 2.456 155 F HA 0.219 5.063 4.527 0.107 -0.252 0.358 155 F C -0.539 175.294 175.800 0.056 0.000 1.095 155 F CA -0.380 57.675 58.000 0.091 0.000 1.216 155 F CB 0.996 40.113 39.000 0.194 0.000 1.125 155 F HN -0.747 7.658 8.300 0.238 0.037 0.549 156 K N 7.674 127.695 120.400 -0.632 0.000 2.570 156 K HA 0.158 3.962 4.320 -0.860 0.000 0.256 156 K C -2.459 173.896 176.600 -0.408 0.000 0.939 156 K CA -0.218 55.694 56.287 -0.626 0.000 0.833 156 K CB 3.681 36.028 32.500 -0.254 0.000 1.318 156 K HN -0.207 7.911 8.250 -0.220 0.000 0.433 157 I N 6.504 126.852 120.570 -0.370 0.000 2.347 157 I HA 0.083 4.397 4.170 -0.052 -0.176 0.294 157 I C 0.048 176.125 176.117 -0.067 0.000 1.090 157 I CA 0.758 61.981 61.300 -0.128 0.000 1.314 157 I CB -0.473 37.477 38.000 -0.083 0.000 1.423 157 I HN 0.558 8.494 8.210 -0.455 0.000 0.503 158 Q N 6.257 126.043 119.800 -0.022 0.000 2.282 158 Q HA 0.075 4.405 4.340 -0.017 0.000 0.206 158 Q C -0.847 175.164 176.000 0.018 0.000 0.878 158 Q CA -0.283 55.518 55.803 -0.004 0.000 0.944 158 Q CB 1.271 30.015 28.738 0.010 0.000 1.100 158 Q HN 0.013 8.282 8.270 -0.002 0.000 0.509 159 N N -1.161 117.556 118.700 0.029 0.000 2.503 159 N HA 0.282 5.232 4.740 0.038 -0.187 0.287 159 N C -2.753 172.786 175.510 0.048 0.000 1.096 159 N CA 0.003 53.077 53.050 0.041 0.000 0.936 159 N CB 3.109 41.624 38.487 0.048 0.000 1.570 159 N HN -0.836 7.508 8.380 0.028 0.053 0.504 160 I N 4.593 125.192 120.570 0.049 0.000 2.441 160 I HA 0.187 4.392 4.170 0.058 0.000 0.295 160 I C -1.609 174.544 176.117 0.060 0.000 0.994 160 I CA -1.038 60.296 61.300 0.056 0.000 1.144 160 I CB 2.960 40.994 38.000 0.056 0.000 1.314 160 I HN 0.050 8.367 8.210 0.047 -0.078 0.445 161 V N 5.466 125.415 119.914 0.059 0.000 2.483 161 V HA 0.687 5.015 4.120 0.056 -0.174 0.295 161 V C -0.398 175.726 176.094 0.049 0.000 1.035 161 V CA -2.259 60.074 62.300 0.055 0.000 0.896 161 V CB 1.007 32.862 31.823 0.052 0.000 0.986 161 V HN 0.800 8.925 8.190 0.060 0.100 0.447 162 G N 5.194 114.017 108.800 0.039 0.000 2.798 162 G HA2 0.786 4.904 3.960 0.018 0.000 0.286 162 G HA3 0.786 4.755 3.960 0.015 0.000 0.286 162 G C -2.677 172.210 174.900 -0.022 0.000 1.389 162 G CA -1.268 43.840 45.100 0.013 0.000 0.894 162 G HN 0.353 8.564 8.290 0.042 0.104 0.488 163 S N -1.874 113.781 115.700 -0.075 0.000 2.565 163 S HA 0.993 5.628 4.470 -0.096 -0.222 0.274 163 S C -1.827 172.660 174.600 -0.189 0.000 1.144 163 S CA 0.054 58.193 58.200 -0.102 0.000 0.849 163 S CB 2.994 66.166 63.200 -0.045 0.000 1.103 163 S HN 0.132 8.390 8.310 -0.088 0.000 0.455 164 C N -1.261 117.900 119.300 -0.232 0.000 3.275 164 C HA 0.385 4.720 4.460 -0.209 0.000 0.340 164 C C -2.772 172.079 174.990 -0.231 0.000 1.366 164 C CA -1.295 57.550 59.018 -0.288 0.000 1.227 164 C CB 3.101 30.506 27.740 -0.559 0.000 1.512 164 C HN 0.986 9.105 8.230 -0.186 0.000 0.461 165 D N -0.069 120.219 120.400 -0.187 0.000 2.375 165 D HA 0.714 5.498 4.640 -0.162 -0.241 0.247 165 D C 0.228 176.418 176.300 -0.182 0.000 1.061 165 D CA -1.795 52.108 54.000 -0.163 0.000 0.834 165 D CB 2.310 43.041 40.800 -0.116 0.000 1.247 165 D HN -0.105 8.162 8.370 -0.172 0.000 0.489 166 V N -4.385 115.329 119.914 -0.332 0.000 3.573 166 V HA -0.023 4.022 4.120 -0.125 0.000 0.270 166 V C 0.295 176.049 176.094 -0.566 0.000 1.221 166 V CA -0.880 61.098 62.300 -0.537 0.000 1.163 166 V CB -0.150 30.930 31.823 -1.238 0.000 0.847 166 V HN -0.247 7.722 8.190 -0.367 0.000 0.468 167 K N -4.741 115.475 120.400 -0.306 0.000 3.547 167 K HA -0.366 3.929 4.320 -0.042 0.000 0.309 167 K C -1.908 174.704 176.600 0.019 0.000 1.324 167 K CA 1.716 57.962 56.287 -0.068 0.000 0.988 167 K CB -0.744 31.808 32.500 0.088 0.000 1.261 167 K HN 0.357 8.350 8.250 -0.267 0.096 0.444 168 F N -7.594 112.364 119.950 0.014 0.000 2.631 168 F HA 0.366 4.898 4.527 0.009 0.000 0.308 168 F C -3.376 172.430 175.800 0.010 0.000 1.097 168 F CA -4.057 53.947 58.000 0.006 0.000 0.952 168 F CB 0.431 39.426 39.000 -0.009 0.000 1.307 168 F HN -0.886 6.710 8.300 -1.006 0.100 0.450 169 P HA 0.124 4.734 4.420 0.086 -0.139 0.274 169 P C -1.470 176.001 177.300 0.285 0.000 1.237 169 P CA -0.589 62.617 63.100 0.177 0.000 0.793 169 P CB 0.967 32.742 31.700 0.125 0.000 0.977 170 I N -1.504 119.170 120.570 0.174 0.000 2.785 170 I HA 0.095 4.472 4.170 0.244 -0.061 0.302 170 I C -0.742 175.425 176.117 0.084 0.000 1.069 170 I CA -1.818 59.590 61.300 0.180 0.000 1.045 170 I CB 3.968 42.064 38.000 0.160 0.000 1.236 170 I HN -0.059 8.217 8.210 0.110 0.000 0.429 171 R N 3.921 124.470 120.500 0.080 0.000 2.272 171 R HA 0.112 4.443 4.340 -0.016 0.000 0.334 171 R C 0.395 176.636 176.300 -0.098 0.000 1.117 171 R CA -0.695 55.404 56.100 -0.002 0.000 0.966 171 R CB -1.162 29.155 30.300 0.027 0.000 1.049 171 R HN 0.394 8.747 8.270 0.138 0.000 0.477 172 L N 4.659 125.758 121.223 -0.207 0.000 2.042 172 L HA -0.456 3.686 4.340 -0.330 0.000 0.210 172 L C 1.757 178.278 176.870 -0.581 0.000 1.076 172 L CA 4.086 58.647 54.840 -0.466 0.000 0.749 172 L CB -0.246 41.385 42.059 -0.713 0.000 0.893 172 L HN -0.201 7.932 8.230 -0.160 0.000 0.432 173 E N -2.547 117.384 120.200 -0.448 0.000 2.274 173 E HA -0.223 3.990 4.350 -0.230 0.000 0.194 173 E C 2.050 178.561 176.600 -0.148 0.000 0.996 173 E CA 2.329 58.582 56.400 -0.244 0.000 0.840 173 E CB -0.979 28.652 29.700 -0.115 0.000 0.772 173 E HN 0.140 8.285 8.360 -0.348 0.006 0.491 174 G N 0.283 108.974 108.800 -0.183 0.000 2.394 174 G HA2 -0.190 3.613 3.960 -0.262 0.000 0.214 174 G HA3 -0.190 3.590 3.960 -0.300 0.000 0.214 174 G C 1.033 175.646 174.900 -0.478 0.000 1.176 174 G CA 1.500 46.412 45.100 -0.314 0.000 0.786 174 G HN -0.660 7.365 8.290 -0.172 0.162 0.533 175 L N 1.196 122.295 121.223 -0.207 0.000 2.093 175 L HA -0.192 4.181 4.340 0.054 0.000 0.208 175 L C 1.642 178.558 176.870 0.076 0.000 1.085 175 L CA 2.000 56.850 54.840 0.016 0.000 0.755 175 L CB -0.872 41.281 42.059 0.156 0.000 0.904 175 L HN -0.199 7.955 8.230 -0.127 0.000 0.435 176 A N -2.496 120.348 122.820 0.039 0.000 2.119 176 A HA -0.125 4.288 4.320 0.156 0.000 0.217 176 A C 0.168 177.829 177.584 0.129 0.000 1.153 176 A CA 2.228 54.336 52.037 0.118 0.000 0.692 176 A CB -0.715 18.373 19.000 0.147 0.000 0.799 176 A HN -0.605 7.518 8.150 -0.045 0.000 0.458 177 F N -5.320 114.553 119.950 -0.128 0.000 2.698 177 F HA 0.019 4.501 4.527 -0.075 0.000 0.295 177 F C -0.024 175.672 175.800 -0.174 0.000 1.124 177 F CA 0.795 58.710 58.000 -0.141 0.000 1.426 177 F CB 0.623 39.508 39.000 -0.192 0.000 1.120 177 F HN -0.851 7.326 8.300 0.062 0.161 0.583 178 S N -1.141 114.348 115.700 -0.352 0.000 2.475 178 S HA 0.029 4.173 4.470 -0.543 0.000 0.224 178 S C 0.685 175.038 174.600 -0.411 0.000 1.042 178 S CA 1.687 59.623 58.200 -0.441 0.000 0.935 178 S CB 1.435 64.444 63.200 -0.319 0.000 0.801 178 S HN -0.737 7.286 8.310 -0.221 0.154 0.509 179 H N 1.004 120.107 119.070 0.056 0.000 2.505 179 H HA 0.272 4.907 4.556 0.132 0.000 0.260 179 H C 0.544 175.905 175.328 0.056 0.000 1.168 179 H CA -1.026 55.100 56.048 0.131 0.000 0.945 179 H CB 0.955 30.901 29.762 0.305 0.000 1.800 179 H HN -0.258 8.069 8.280 0.079 0.000 0.586 180 G N 0.573 109.411 108.800 0.063 0.000 2.499 180 G HA2 -0.372 3.666 3.960 0.072 0.000 0.221 180 G HA3 -0.372 3.596 3.960 0.013 0.000 0.221 180 G C 0.321 175.213 174.900 -0.013 0.000 1.109 180 G CA 1.672 46.794 45.100 0.037 0.000 0.749 180 G HN 0.332 8.544 8.290 -0.026 0.063 0.568 181 T N -3.996 110.537 114.554 -0.035 0.000 3.324 181 T HA -0.023 4.188 4.350 -0.231 0.000 0.250 181 T C -0.677 173.760 174.700 -0.439 0.000 1.059 181 T CA -0.146 61.821 62.100 -0.221 0.000 0.951 181 T CB -0.664 68.081 68.868 -0.205 0.000 1.030 181 T HN -0.288 7.910 8.240 0.021 0.054 0.576 182 F N -0.556 119.340 119.950 -0.089 0.000 2.531 182 F HA 0.050 4.465 4.527 -0.187 0.000 0.410 182 F C -1.723 173.868 175.800 -0.348 0.000 0.829 182 F CA 0.775 58.633 58.000 -0.236 0.000 0.913 182 F CB 2.114 40.920 39.000 -0.323 0.000 1.106 182 F HN 0.001 8.203 8.300 0.027 0.114 0.594 183 S N 1.453 117.121 115.700 -0.053 0.000 2.610 183 S HA 0.380 4.892 4.470 -0.154 -0.134 0.273 183 S C -0.204 174.432 174.600 0.061 0.000 1.274 183 S CA -0.806 57.373 58.200 -0.035 0.000 1.023 183 S CB 1.445 64.743 63.200 0.163 0.000 0.962 183 S HN 0.388 8.619 8.310 0.071 0.122 0.523 184 S N 1.973 117.728 115.700 0.091 0.000 2.542 184 S HA 0.364 4.897 4.470 0.104 0.000 0.293 184 S C -1.979 172.764 174.600 0.239 0.000 1.089 184 S CA -0.493 57.776 58.200 0.114 0.000 0.961 184 S CB 3.773 66.997 63.200 0.040 0.000 1.062 184 S HN 0.155 8.523 8.310 0.096 0.000 0.483 185 Y N 2.994 123.332 120.300 0.063 0.000 2.287 185 Y HA 0.234 4.872 4.550 0.145 0.000 0.321 185 Y C -2.240 173.715 175.900 0.091 0.000 1.173 185 Y CA -0.199 57.959 58.100 0.097 0.000 1.124 185 Y CB 1.995 40.501 38.460 0.077 0.000 1.201 185 Y HN 0.359 8.751 8.280 0.187 0.000 0.421 186 E N 8.291 128.308 120.200 -0.306 0.000 2.149 186 E HA 0.523 4.679 4.350 -0.323 0.000 0.255 186 E C -1.802 174.536 176.600 -0.438 0.000 0.888 186 E CA -4.277 51.931 56.400 -0.321 0.000 0.742 186 E CB 1.453 31.110 29.700 -0.073 0.000 1.164 186 E HN 0.310 8.655 8.360 -0.025 0.000 0.422 187 P HA -0.033 4.174 4.420 -0.356 0.000 0.242 187 P C -0.440 176.772 177.300 -0.147 0.000 1.197 187 P CA 1.262 64.138 63.100 -0.374 0.000 0.765 187 P CB 0.262 31.788 31.700 -0.290 0.000 0.936 188 E N -3.234 116.895 120.200 -0.118 0.000 2.472 188 E HA -0.024 4.301 4.350 -0.041 0.000 0.196 188 E C -0.672 175.920 176.600 -0.014 0.000 1.033 188 E CA 0.299 56.669 56.400 -0.051 0.000 0.886 188 E CB 0.281 29.953 29.700 -0.047 0.000 0.944 188 E HN 0.051 8.233 8.360 -0.154 0.086 0.492 189 L N -3.414 117.813 121.223 0.007 0.000 2.627 189 L HA 0.115 4.489 4.340 0.058 0.000 0.253 189 L C -1.344 175.628 176.870 0.170 0.000 1.042 189 L CA 0.760 55.645 54.840 0.075 0.000 1.110 189 L CB 2.940 45.045 42.059 0.075 0.000 2.151 189 L HN -0.672 7.385 8.230 -0.022 0.159 0.539 190 F N 2.068 122.002 119.950 -0.027 0.000 2.403 190 F HA 0.578 5.161 4.527 0.093 0.000 0.355 190 F C -2.207 173.625 175.800 0.052 0.000 1.119 190 F CA -3.768 54.257 58.000 0.040 0.000 1.007 190 F CB 2.140 41.161 39.000 0.034 0.000 1.194 190 F HN -0.240 8.160 8.300 0.167 0.000 0.443 191 P HA 0.018 4.507 4.420 0.116 0.000 0.233 191 P C -1.100 176.224 177.300 0.039 0.000 1.167 191 P CA 0.104 63.213 63.100 0.015 0.000 0.770 191 P CB 0.661 32.373 31.700 0.019 0.000 0.837 192 G N -2.999 105.527 108.800 -0.457 0.000 2.535 192 G HA2 0.384 3.952 3.960 -0.653 0.000 0.303 192 G HA3 0.384 3.214 3.960 -1.883 0.000 0.303 192 G C -2.399 172.496 174.900 -0.008 0.000 1.237 192 G CA -1.659 42.969 45.100 -0.787 0.000 0.986 192 G HN -0.723 6.848 8.290 -1.107 0.055 0.494 193 L N -1.974 119.171 121.223 -0.130 0.000 2.342 193 L HA 0.643 5.306 4.340 0.342 -0.118 0.271 193 L C -1.954 175.005 176.870 0.148 0.000 1.008 193 L CA -1.614 53.308 54.840 0.136 0.000 0.818 193 L CB 3.935 45.990 42.059 -0.007 0.000 1.296 193 L HN -0.347 7.566 8.230 -0.528 0.000 0.427 194 I N 2.317 122.982 120.570 0.158 0.000 2.437 194 I HA 0.297 4.675 4.170 0.098 -0.150 0.279 194 I C -1.551 174.641 176.117 0.125 0.000 1.028 194 I CA -0.877 60.478 61.300 0.092 0.000 1.142 194 I CB 1.400 39.379 38.000 -0.036 0.000 1.266 194 I HN 0.405 8.727 8.210 0.187 0.000 0.461 195 Y N 9.182 129.504 120.300 0.036 0.000 2.341 195 Y HA 0.140 4.726 4.550 0.061 0.000 0.340 195 Y C -1.833 174.076 175.900 0.016 0.000 0.997 195 Y CA -0.782 57.337 58.100 0.032 0.000 1.149 195 Y CB 2.468 40.932 38.460 0.007 0.000 1.171 195 Y HN 0.630 9.066 8.280 0.260 0.000 0.494 196 R N 10.351 130.737 120.500 -0.191 0.000 2.870 196 R HA 0.143 4.629 4.340 0.020 -0.134 0.254 196 R C -0.770 175.444 176.300 -0.144 0.000 1.392 196 R CA -1.080 54.980 56.100 -0.066 0.000 1.322 196 R CB -0.444 29.856 30.300 -0.001 0.000 1.205 196 R HN -0.275 7.768 8.270 -0.378 0.000 0.597 197 M N 4.914 124.551 119.600 0.063 0.000 2.243 197 M HA -0.218 4.354 4.480 0.154 0.000 0.365 197 M C 0.007 176.210 176.300 -0.162 0.000 1.327 197 M CA -0.320 54.999 55.300 0.032 0.000 0.918 197 M CB 0.686 33.336 32.600 0.083 0.000 1.894 197 M HN -0.034 8.364 8.290 0.179 0.000 0.473 198 V N 6.277 125.987 119.914 -0.339 0.000 2.283 198 V HA -0.223 3.723 4.120 -0.291 0.000 0.243 198 V C -0.062 175.964 176.094 -0.114 0.000 1.039 198 V CA 3.112 65.218 62.300 -0.322 0.000 1.016 198 V CB 0.001 31.539 31.823 -0.475 0.000 0.650 198 V HN 0.336 8.305 8.190 -0.369 0.000 0.449 199 K N -1.072 119.278 120.400 -0.084 0.000 2.601 199 K HA 0.256 4.565 4.320 -0.018 0.000 0.249 199 K C -1.996 174.595 176.600 -0.015 0.000 0.966 199 K CA -2.182 54.087 56.287 -0.031 0.000 0.827 199 K CB 1.298 33.785 32.500 -0.022 0.000 1.178 199 K HN -0.267 7.919 8.250 -0.106 0.000 0.437 200 P HA 0.123 4.545 4.420 0.004 0.000 0.275 200 P C -1.680 175.622 177.300 0.003 0.000 1.266 200 P CA -0.653 62.451 63.100 0.008 0.000 0.793 200 P CB 0.998 32.711 31.700 0.022 0.000 1.074 201 K N -1.355 119.050 120.400 0.009 0.000 2.292 201 K HA 0.279 4.875 4.320 -0.006 -0.280 0.290 201 K C -0.685 175.930 176.600 0.026 0.000 1.083 201 K CA -0.418 55.875 56.287 0.010 0.000 0.918 201 K CB -0.273 32.237 32.500 0.017 0.000 1.089 201 K HN 0.068 8.325 8.250 0.012 0.000 0.473 202 I N 2.871 123.461 120.570 0.034 0.000 3.004 202 I HA 0.150 4.348 4.170 0.047 0.000 0.305 202 I C -2.532 173.627 176.117 0.069 0.000 1.312 202 I CA -1.283 60.048 61.300 0.053 0.000 0.992 202 I CB 5.225 43.263 38.000 0.063 0.000 1.282 202 I HN -0.436 7.789 8.210 0.026 0.000 0.449 203 V N 2.277 122.233 119.914 0.070 0.000 2.435 203 V HA 0.440 4.806 4.120 0.090 -0.192 0.290 203 V C -1.456 174.701 176.094 0.106 0.000 1.030 203 V CA -1.971 60.378 62.300 0.081 0.000 0.881 203 V CB 0.964 32.816 31.823 0.048 0.000 0.983 203 V HN 0.056 8.283 8.190 0.063 0.000 0.445 204 L N 6.953 128.262 121.223 0.143 0.000 2.325 204 L HA 0.627 5.288 4.340 0.119 -0.250 0.281 204 L C -1.043 175.907 176.870 0.134 0.000 1.004 204 L CA -1.229 53.693 54.840 0.137 0.000 0.823 204 L CB 2.669 44.813 42.059 0.141 0.000 1.236 204 L HN 0.508 8.738 8.230 0.179 0.108 0.415 205 L N 4.462 125.769 121.223 0.140 0.000 2.265 205 L HA 0.757 5.417 4.340 0.087 -0.268 0.288 205 L C -0.519 176.379 176.870 0.046 0.000 1.058 205 L CA -1.206 53.711 54.840 0.129 0.000 0.809 205 L CB 0.541 42.802 42.059 0.335 0.000 1.179 205 L HN -0.183 8.136 8.230 0.149 0.000 0.429 206 I N 4.074 124.551 120.570 -0.156 0.000 2.418 206 I HA 0.467 4.879 4.170 0.051 -0.211 0.287 206 I C -0.911 174.998 176.117 -0.347 0.000 1.008 206 I CA -0.739 60.497 61.300 -0.107 0.000 1.104 206 I CB 2.847 40.828 38.000 -0.031 0.000 1.264 206 I HN 0.119 8.209 8.210 -0.201 0.000 0.438 207 F N 6.246 126.206 119.950 0.017 0.000 2.492 207 F HA 0.397 4.918 4.527 -0.009 0.000 0.327 207 F C 1.025 176.815 175.800 -0.016 0.000 1.079 207 F CA -1.521 56.472 58.000 -0.011 0.000 0.967 207 F CB 2.835 41.814 39.000 -0.035 0.000 1.169 207 F HN -0.131 8.368 8.300 0.331 0.000 0.472 208 V N 3.484 123.485 119.914 0.146 0.000 2.636 208 V HA -0.463 3.849 4.120 0.067 -0.153 0.258 208 V C 1.400 177.547 176.094 0.088 0.000 1.092 208 V CA 3.539 65.893 62.300 0.089 0.000 1.110 208 V CB -0.443 31.425 31.823 0.075 0.000 0.685 208 V HN 0.578 8.857 8.190 0.149 0.000 0.481 209 S N -3.322 112.442 115.700 0.107 0.000 2.419 209 S HA -0.224 4.268 4.470 0.036 0.000 0.233 209 S C 1.187 175.797 174.600 0.018 0.000 1.016 209 S CA 1.966 60.196 58.200 0.051 0.000 0.974 209 S CB 0.101 63.320 63.200 0.031 0.000 0.786 209 S HN -0.092 8.270 8.310 0.172 0.051 0.492 210 G N 0.578 109.391 108.800 0.022 0.000 2.184 210 G HA2 -0.262 3.679 3.960 -0.139 0.000 0.206 210 G HA3 -0.262 3.610 3.960 -0.146 0.000 0.206 210 G C -1.737 173.122 174.900 -0.068 0.000 0.995 210 G CA -0.393 44.651 45.100 -0.093 0.000 0.651 210 G HN 0.379 8.572 8.290 0.088 0.150 0.511 211 K N 1.870 122.290 120.400 0.034 0.000 2.349 211 K HA 0.092 4.397 4.320 -0.025 0.000 0.288 211 K C -1.600 175.064 176.600 0.107 0.000 1.058 211 K CA 0.343 56.657 56.287 0.045 0.000 0.953 211 K CB 0.567 33.101 32.500 0.057 0.000 0.997 211 K HN -0.813 7.440 8.250 0.088 0.050 0.477 212 I N 6.577 127.158 120.570 0.017 0.000 2.406 212 I HA 0.749 5.200 4.170 0.095 -0.224 0.290 212 I C -1.059 175.069 176.117 0.019 0.000 0.999 212 I CA -3.193 58.127 61.300 0.033 0.000 1.124 212 I CB 0.824 38.811 38.000 -0.022 0.000 1.289 212 I HN 0.859 8.936 8.210 -0.052 0.102 0.441 213 V N 7.427 127.394 119.914 0.089 0.000 2.769 213 V HA 0.376 4.649 4.120 0.029 -0.136 0.312 213 V C -1.271 174.865 176.094 0.070 0.000 1.058 213 V CA -1.982 60.363 62.300 0.075 0.000 0.952 213 V CB 2.178 34.087 31.823 0.143 0.000 1.019 213 V HN 0.431 8.703 8.190 0.136 0.000 0.445 214 L N 3.188 124.443 121.223 0.053 0.000 2.518 214 L HA 0.526 5.070 4.340 0.082 -0.155 0.262 214 L C -1.240 175.669 176.870 0.066 0.000 0.982 214 L CA -0.251 54.628 54.840 0.065 0.000 0.873 214 L CB 2.354 44.445 42.059 0.054 0.000 1.198 214 L HN 0.503 8.670 8.230 0.040 0.087 0.427 215 T N 2.517 117.113 114.554 0.070 0.000 2.907 215 T HA 0.791 5.426 4.350 0.061 -0.248 0.292 215 T C -0.076 174.658 174.700 0.058 0.000 1.043 215 T CA -2.468 59.670 62.100 0.063 0.000 1.003 215 T CB 2.506 71.412 68.868 0.063 0.000 1.084 215 T HN -0.093 8.193 8.240 0.076 0.000 0.483 216 G N 5.630 114.461 108.800 0.052 0.000 2.184 216 G HA2 -0.379 3.606 3.960 0.042 0.000 0.206 216 G HA3 -0.379 3.608 3.960 0.044 0.000 0.206 216 G C -1.657 173.269 174.900 0.043 0.000 0.995 216 G CA -0.055 45.072 45.100 0.045 0.000 0.651 216 G HN -0.011 8.311 8.290 0.053 0.000 0.511 217 A N -1.387 121.463 122.820 0.049 0.000 2.386 217 A HA -0.007 4.484 4.320 0.045 -0.143 0.246 217 A C -0.978 176.627 177.584 0.034 0.000 1.089 217 A CA -0.416 51.649 52.037 0.047 0.000 0.790 217 A CB 1.438 20.475 19.000 0.063 0.000 1.042 217 A HN -0.709 7.411 8.150 0.055 0.062 0.497 218 K N -1.740 118.676 120.400 0.025 0.000 2.373 218 K HA 0.081 4.404 4.320 0.006 0.000 0.200 218 K C -0.548 176.053 176.600 0.001 0.000 1.054 218 K CA 0.094 56.386 56.287 0.009 0.000 1.065 218 K CB 1.758 34.259 32.500 0.003 0.000 0.886 218 K HN 0.069 8.616 8.250 0.029 -0.279 0.546 219 Q N -2.912 116.896 119.800 0.013 0.000 2.426 219 Q HA 0.107 4.444 4.340 -0.006 0.000 0.278 219 Q C -0.066 175.944 176.000 0.016 0.000 1.007 219 Q CA -0.851 54.953 55.803 0.003 0.000 0.850 219 Q CB 1.976 30.710 28.738 -0.007 0.000 1.427 219 Q HN -0.680 7.606 8.270 0.027 0.000 0.391 220 R N 5.542 126.040 120.500 -0.004 0.000 2.153 220 R HA -0.501 3.865 4.340 0.043 0.000 0.252 220 R C 1.206 177.501 176.300 -0.009 0.000 1.158 220 R CA 4.402 60.492 56.100 -0.016 0.000 0.975 220 R CB -0.089 30.148 30.300 -0.106 0.000 0.871 220 R HN 0.766 9.026 8.270 -0.016 0.000 0.450 221 E N -2.441 117.742 120.200 -0.029 0.000 2.153 221 E HA -0.332 4.010 4.350 -0.014 0.000 0.194 221 E C 2.320 178.975 176.600 0.092 0.000 0.988 221 E CA 3.157 59.564 56.400 0.011 0.000 0.811 221 E CB -0.614 29.081 29.700 -0.009 0.000 0.746 221 E HN 0.317 8.637 8.360 -0.039 0.016 0.466 222 E N -0.436 119.810 120.200 0.076 0.000 2.031 222 E HA -0.338 4.055 4.350 0.071 0.000 0.193 222 E C 2.293 178.972 176.600 0.131 0.000 0.994 222 E CA 3.195 59.646 56.400 0.085 0.000 0.800 222 E CB -0.068 29.667 29.700 0.059 0.000 0.752 222 E HN 0.113 8.363 8.360 0.049 0.140 0.447 223 I N -0.703 119.963 120.570 0.159 0.000 2.208 223 I HA -0.430 3.822 4.170 0.136 0.000 0.245 223 I C 2.372 178.638 176.117 0.249 0.000 1.097 223 I CA 2.694 64.105 61.300 0.185 0.000 1.363 223 I CB -0.934 37.185 38.000 0.197 0.000 1.051 223 I HN -0.774 7.519 8.210 0.138 0.000 0.413 224 Y N -1.623 118.723 120.300 0.077 0.000 2.352 224 Y HA -0.422 4.218 4.550 0.151 0.000 0.292 224 Y C 2.719 178.686 175.900 0.112 0.000 1.136 224 Y CA 3.784 61.949 58.100 0.108 0.000 1.227 224 Y CB -0.570 37.928 38.460 0.064 0.000 0.991 224 Y HN -0.304 8.273 8.280 0.496 0.000 0.545 225 Q N -0.384 119.544 119.800 0.215 0.000 2.061 225 Q HA -0.350 4.041 4.340 0.085 0.000 0.195 225 Q C 1.945 177.995 176.000 0.083 0.000 0.967 225 Q CA 2.532 58.401 55.803 0.110 0.000 0.829 225 Q CB 0.319 29.106 28.738 0.082 0.000 0.900 225 Q HN -0.128 8.141 8.270 0.224 0.135 0.450 226 A N 0.190 123.072 122.820 0.103 0.000 1.927 226 A HA -0.376 3.973 4.320 0.048 0.000 0.220 226 A C 1.537 179.190 177.584 0.115 0.000 1.185 226 A CA 3.438 55.528 52.037 0.088 0.000 0.639 226 A CB -0.634 18.430 19.000 0.107 0.000 0.820 226 A HN 0.611 8.723 8.150 0.117 0.109 0.451 227 F N -1.375 118.566 119.950 -0.016 0.000 2.146 227 F HA -0.364 4.155 4.527 -0.014 0.000 0.298 227 F C 1.766 177.578 175.800 0.021 0.000 1.096 227 F CA 2.236 60.227 58.000 -0.015 0.000 1.275 227 F CB 0.052 39.016 39.000 -0.059 0.000 1.008 227 F HN -0.566 7.895 8.300 0.276 0.004 0.480 228 E N -0.960 119.136 120.200 -0.173 0.000 2.338 228 E HA -0.314 3.722 4.350 -0.524 0.000 0.197 228 E C 1.213 177.707 176.600 -0.176 0.000 1.007 228 E CA 2.451 58.678 56.400 -0.288 0.000 0.849 228 E CB -0.248 29.367 29.700 -0.142 0.000 0.774 228 E HN -0.636 7.659 8.360 0.028 0.082 0.506 229 A N -1.393 121.357 122.820 -0.116 0.000 1.924 229 A HA -0.014 4.254 4.320 -0.087 0.000 0.211 229 A C 1.465 178.953 177.584 -0.160 0.000 1.198 229 A CA 2.256 54.230 52.037 -0.105 0.000 0.657 229 A CB 0.645 19.600 19.000 -0.075 0.000 0.852 229 A HN -0.068 7.855 8.150 -0.080 0.179 0.454 230 I N -1.106 119.343 120.570 -0.202 0.000 3.603 230 I HA -0.167 3.750 4.170 -0.422 0.000 0.297 230 I C 0.043 176.052 176.117 -0.181 0.000 1.269 230 I CA 0.061 61.177 61.300 -0.307 0.000 1.361 230 I CB 0.475 38.250 38.000 -0.375 0.000 1.063 230 I HN -0.320 7.803 8.210 -0.145 0.000 0.448 231 Y N 2.432 122.512 120.300 -0.367 0.000 2.102 231 Y HA -0.455 3.888 4.550 -0.344 0.000 0.280 231 Y C -1.032 174.756 175.900 -0.186 0.000 1.178 231 Y CA 5.713 63.556 58.100 -0.427 0.000 1.146 231 Y CB -2.580 35.387 38.460 -0.821 0.000 0.968 231 Y HN 0.627 8.661 8.280 -0.186 0.135 0.504 232 P HA -0.174 4.195 4.420 -0.085 0.000 0.215 232 P C 1.234 178.455 177.300 -0.133 0.000 1.157 232 P CA 3.071 66.151 63.100 -0.034 0.000 0.856 232 P CB -0.601 31.127 31.700 0.047 0.000 0.786 233 V N -1.113 118.743 119.914 -0.097 0.000 2.370 233 V HA -0.475 3.644 4.120 -0.003 0.000 0.252 233 V C 2.358 178.454 176.094 0.004 0.000 1.068 233 V CA 4.623 66.908 62.300 -0.025 0.000 1.061 233 V CB -0.294 31.486 31.823 -0.072 0.000 0.656 233 V HN -0.637 7.494 8.190 -0.099 0.000 0.455 234 L N -2.256 118.948 121.223 -0.032 0.000 2.023 234 L HA -0.382 4.057 4.340 0.165 0.000 0.205 234 L C 2.537 179.424 176.870 0.027 0.000 1.073 234 L CA 2.933 57.821 54.840 0.079 0.000 0.745 234 L CB -0.599 41.512 42.059 0.087 0.000 0.900 234 L HN 0.019 8.178 8.230 -0.102 0.010 0.435 235 S N -0.626 114.988 115.700 -0.143 0.000 2.400 235 S HA -0.426 3.640 4.470 -0.673 0.000 0.232 235 S C 1.625 176.022 174.600 -0.338 0.000 1.025 235 S CA 3.488 61.458 58.200 -0.384 0.000 0.993 235 S CB -0.100 62.841 63.200 -0.432 0.000 0.808 235 S HN -0.270 7.914 8.310 -0.211 0.000 0.478 236 E N 0.289 120.287 120.200 -0.337 0.000 2.150 236 E HA -0.186 3.918 4.350 -0.410 0.000 0.193 236 E C 0.709 176.952 176.600 -0.594 0.000 0.985 236 E CA 2.402 58.485 56.400 -0.528 0.000 0.814 236 E CB 0.248 29.514 29.700 -0.724 0.000 0.752 236 E HN -0.002 8.065 8.360 -0.288 0.120 0.466 237 F N -2.067 117.862 119.950 -0.035 0.000 2.908 237 F HA 0.253 4.774 4.527 -0.009 0.000 0.328 237 F C -1.293 174.500 175.800 -0.010 0.000 1.211 237 F CA -2.281 55.715 58.000 -0.007 0.000 1.291 237 F CB -0.159 38.862 39.000 0.035 0.000 0.962 237 F HN -0.652 7.441 8.300 -0.126 0.131 0.505 238 R N -0.488 120.040 120.500 0.046 0.000 2.893 238 R HA -0.103 4.416 4.340 0.181 -0.070 0.279 238 R C 0.024 176.366 176.300 0.070 0.000 1.076 238 R CA 0.646 56.762 56.100 0.026 0.000 1.203 238 R CB 0.666 30.766 30.300 -0.334 0.000 1.137 238 R HN -0.924 7.229 8.270 -0.084 0.066 0.541 239 K N -0.817 119.643 120.400 0.101 0.000 2.240 239 K HA 0.107 4.465 4.320 0.062 0.000 0.202 239 K C 0.641 177.269 176.600 0.045 0.000 1.053 239 K CA -0.282 56.049 56.287 0.074 0.000 0.973 239 K CB 0.818 33.373 32.500 0.091 0.000 0.924 239 K HN 0.437 8.699 8.250 0.176 0.094 0.477 240 M N 0.000 119.633 119.600 0.055 0.000 2.572 240 M HA 0.000 4.501 4.480 0.035 0.000 0.227 240 M CA 0.000 55.318 55.300 0.030 0.000 0.988 240 M CB 0.000 32.632 32.600 0.053 0.000 1.302 240 M HN 0.000 8.351 8.290 0.102 0.000 0.411