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 2kpt_1_A DATA FIRST_RESID 41 DATA SEQUENCE TETYVLAESP EFYQDNVTDY TGQISSSDIT NIQAAIDDVK ASEQKVIFVV DATA SEQUENCE FLSSFDGVDP ETWTQQALQA NGGGNVLIYA LAPEERQYGI QGGTQWTDAE DATA SEQUENCE LDAANNAAFQ ALSQEDWAGS ALALAESVGS SSSSSSGSSS LEHHHHHH 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 41 T HA 0.000 4.359 4.350 0.015 0.000 0.228 41 T C 0.000 174.712 174.700 0.020 0.000 1.109 41 T CA 0.000 62.108 62.100 0.013 0.000 1.349 41 T CB 0.000 68.872 68.868 0.007 0.000 0.612 42 E N 1.646 121.862 120.200 0.026 0.000 2.368 42 E HA 0.137 4.504 4.350 0.027 0.000 0.188 42 E C 0.280 176.915 176.600 0.059 0.000 1.061 42 E CA -0.372 56.047 56.400 0.032 0.000 0.933 42 E CB -0.262 29.451 29.700 0.022 0.000 1.091 42 E HN -0.087 8.287 8.360 0.024 0.000 0.458 43 T N -2.934 111.665 114.554 0.075 0.000 2.788 43 T HA -0.008 4.448 4.350 0.177 0.000 0.280 43 T C -0.256 174.555 174.700 0.185 0.000 0.984 43 T CA -1.147 61.042 62.100 0.148 0.000 0.972 43 T CB 1.051 69.994 68.868 0.125 0.000 1.039 43 T HN -0.530 7.647 8.240 0.053 0.095 0.530 44 Y N 0.016 120.317 120.300 0.003 0.000 2.496 44 Y HA 0.237 4.787 4.550 0.001 0.000 0.325 44 Y C -0.559 175.345 175.900 0.007 0.000 1.271 44 Y CA -2.133 55.969 58.100 0.004 0.000 1.368 44 Y CB 0.353 38.816 38.460 0.005 0.000 1.415 44 Y HN -0.258 8.488 8.280 0.777 0.000 0.527 45 V N -1.327 118.507 119.914 -0.134 0.000 2.546 45 V HA 0.245 4.225 4.120 -0.233 0.000 0.284 45 V C -0.869 174.993 176.094 -0.385 0.000 1.050 45 V CA -0.587 61.579 62.300 -0.223 0.000 0.981 45 V CB 1.034 32.819 31.823 -0.064 0.000 0.990 45 V HN -0.145 8.094 8.190 0.081 0.000 0.474 46 L N 7.316 128.328 121.223 -0.353 0.000 2.283 46 L HA 0.094 4.224 4.340 -0.350 0.000 0.287 46 L C -0.017 176.799 176.870 -0.090 0.000 1.073 46 L CA -0.509 54.168 54.840 -0.271 0.000 0.822 46 L CB -1.471 40.455 42.059 -0.221 0.000 1.186 46 L HN 0.173 8.237 8.230 -0.278 0.000 0.436 47 A N 3.323 126.132 122.820 -0.019 0.000 6.225 47 A HA -0.287 4.068 4.320 0.058 0.000 0.246 47 A C -0.688 176.920 177.584 0.040 0.000 2.218 47 A CA 0.546 52.603 52.037 0.033 0.000 0.703 47 A CB -0.180 18.845 19.000 0.041 0.000 0.991 47 A HN 0.049 8.197 8.150 -0.003 0.000 0.360 48 E N -3.126 117.113 120.200 0.066 0.000 2.971 48 E HA -0.322 4.093 4.350 0.109 0.000 0.278 48 E C -1.154 175.499 176.600 0.088 0.000 1.009 48 E CA 0.368 56.813 56.400 0.075 0.000 0.862 48 E CB -1.054 28.660 29.700 0.024 0.000 1.436 48 E HN 0.161 8.568 8.360 0.079 0.000 0.434 49 S N -0.413 115.344 115.700 0.095 0.000 2.576 49 S HA -0.026 4.511 4.470 0.111 0.000 0.272 49 S C -1.445 173.247 174.600 0.153 0.000 1.352 49 S CA -0.426 57.843 58.200 0.115 0.000 1.021 49 S CB 0.271 63.536 63.200 0.108 0.000 0.887 49 S HN -0.361 7.960 8.310 0.087 0.042 0.542 50 P HA 0.038 4.688 4.420 0.384 0.000 0.269 50 P C -0.974 176.499 177.300 0.287 0.000 1.252 50 P CA 0.038 63.342 63.100 0.340 0.000 0.780 50 P CB -0.068 31.895 31.700 0.437 0.000 0.829 51 E N 2.540 122.817 120.200 0.128 0.000 2.502 51 E HA -0.057 4.315 4.350 0.037 0.000 0.194 51 E C 0.246 176.765 176.600 -0.136 0.000 1.062 51 E CA 0.210 56.580 56.400 -0.052 0.000 0.867 51 E CB -0.014 29.575 29.700 -0.185 0.000 0.888 51 E HN 0.313 8.739 8.360 0.111 0.000 0.510 52 F N -2.238 117.748 119.950 0.061 0.000 2.181 52 F HA -0.076 4.408 4.527 -0.072 0.000 0.285 52 F C 0.328 176.162 175.800 0.058 0.000 1.134 52 F CA 0.155 58.098 58.000 -0.095 0.000 1.139 52 F CB 0.773 39.505 39.000 -0.447 0.000 1.614 52 F HN -0.771 7.689 8.300 0.400 0.080 0.519 53 Y N -3.767 116.735 120.300 0.337 0.000 2.994 53 Y HA -0.317 4.409 4.550 0.293 0.000 0.168 53 Y C -0.361 175.656 175.900 0.195 0.000 1.648 53 Y CA 0.073 58.328 58.100 0.257 0.000 0.924 53 Y CB -2.708 35.878 38.460 0.209 0.000 1.415 53 Y HN 0.025 8.238 8.280 -0.112 0.000 0.391 54 Q N -0.808 119.140 119.800 0.246 0.000 2.077 54 Q HA -0.262 4.164 4.340 0.144 0.000 0.206 54 Q C -0.304 175.809 176.000 0.188 0.000 0.989 54 Q CA 1.824 57.729 55.803 0.171 0.000 0.853 54 Q CB 0.298 29.104 28.738 0.113 0.000 0.907 54 Q HN 0.129 8.524 8.270 0.207 0.000 0.418 55 D N -6.162 114.380 120.400 0.236 0.000 2.753 55 D HA 0.003 4.768 4.640 0.208 0.000 0.224 55 D C -1.853 174.668 176.300 0.369 0.000 1.213 55 D CA -0.964 53.178 54.000 0.238 0.000 0.833 55 D CB 2.027 42.928 40.800 0.168 0.000 1.607 55 D HN -0.662 7.868 8.370 0.266 0.000 0.463 56 N N -0.971 117.934 118.700 0.341 0.000 2.177 56 N HA 0.186 5.427 4.740 0.834 0.000 0.218 56 N C -1.407 174.341 175.510 0.397 0.000 1.182 56 N CA 0.431 53.755 53.050 0.457 0.000 0.882 56 N CB 2.652 41.260 38.487 0.201 0.000 1.052 56 N HN 0.543 9.418 8.380 0.254 -0.343 0.519 57 V N -1.145 118.946 119.914 0.296 0.000 2.524 57 V HA 0.628 5.124 4.120 0.282 -0.207 0.297 57 V C -1.171 175.058 176.094 0.226 0.000 1.035 57 V CA -1.192 61.272 62.300 0.274 0.000 0.867 57 V CB 2.309 34.303 31.823 0.285 0.000 1.004 57 V HN -0.616 7.672 8.190 0.262 0.060 0.426 58 T N 9.817 124.502 114.554 0.219 0.000 2.848 58 T HA 0.345 4.746 4.350 0.085 0.000 0.285 58 T C -2.092 172.725 174.700 0.195 0.000 0.995 58 T CA -0.839 61.342 62.100 0.135 0.000 0.970 58 T CB 2.281 71.195 68.868 0.077 0.000 0.976 58 T HN 0.945 9.321 8.240 0.228 0.000 0.441 59 D N 3.871 124.320 120.400 0.082 0.000 2.342 59 D HA 0.259 5.225 4.640 0.347 -0.118 0.243 59 D C -1.592 174.643 176.300 -0.108 0.000 1.019 59 D CA -1.369 52.707 54.000 0.127 0.000 0.864 59 D CB 2.181 43.004 40.800 0.039 0.000 1.315 59 D HN 0.142 8.505 8.370 -0.011 0.000 0.468 60 Y N 0.200 120.498 120.300 -0.004 0.000 2.557 60 Y HA 0.094 4.624 4.550 -0.034 0.000 0.247 60 Y C 0.673 176.529 175.900 -0.073 0.000 1.164 60 Y CA -0.001 58.069 58.100 -0.050 0.000 1.218 60 Y CB 0.799 39.206 38.460 -0.089 0.000 1.210 60 Y HN 0.779 9.149 8.280 0.323 0.104 0.529 61 T N -3.924 110.654 114.554 0.040 0.000 3.046 61 T HA 0.009 4.340 4.350 -0.032 0.000 0.242 61 T C 1.591 176.256 174.700 -0.058 0.000 1.018 61 T CA 0.117 62.196 62.100 -0.034 0.000 1.131 61 T CB 1.207 70.025 68.868 -0.082 0.000 0.904 61 T HN -0.458 7.737 8.240 0.041 0.070 0.459 62 G N 3.498 112.252 108.800 -0.076 0.000 2.155 62 G HA2 -0.348 3.639 3.960 -0.083 0.000 0.257 62 G HA3 -0.348 3.577 3.960 -0.059 0.000 0.257 62 G C -0.074 174.776 174.900 -0.085 0.000 0.983 62 G CA 0.868 45.921 45.100 -0.077 0.000 0.676 62 G HN -0.316 8.118 8.290 -0.079 -0.191 0.528 63 Q N -1.942 117.792 119.800 -0.110 0.000 2.402 63 Q HA 0.002 4.309 4.340 -0.054 0.000 0.206 63 Q C 0.252 176.187 176.000 -0.107 0.000 0.919 63 Q CA 0.136 55.887 55.803 -0.086 0.000 0.923 63 Q CB 0.842 29.536 28.738 -0.073 0.000 1.048 63 Q HN -0.442 7.688 8.270 -0.134 0.060 0.515 64 I N -0.053 120.393 120.570 -0.207 0.000 2.331 64 I HA 0.036 4.103 4.170 -0.171 0.000 0.292 64 I C -0.424 175.606 176.117 -0.144 0.000 0.998 64 I CA -1.806 59.348 61.300 -0.244 0.000 1.267 64 I CB -0.254 37.411 38.000 -0.559 0.000 1.386 64 I HN -0.326 7.694 8.210 -0.238 0.047 0.476 65 S N 6.764 122.412 115.700 -0.086 0.000 2.525 65 S HA 0.020 4.462 4.470 -0.047 0.000 0.285 65 S C 1.306 175.881 174.600 -0.042 0.000 1.283 65 S CA 0.169 58.339 58.200 -0.050 0.000 1.072 65 S CB 1.031 64.213 63.200 -0.028 0.000 0.867 65 S HN 0.336 8.601 8.310 -0.075 0.000 0.492 66 S N 7.506 123.188 115.700 -0.031 0.000 2.380 66 S HA -0.431 4.028 4.470 -0.018 0.000 0.229 66 S C 2.125 176.726 174.600 0.003 0.000 1.043 66 S CA 3.093 61.284 58.200 -0.014 0.000 1.038 66 S CB -0.359 62.835 63.200 -0.010 0.000 0.872 66 S HN 0.611 8.902 8.310 -0.031 0.000 0.456 67 S N 2.338 118.039 115.700 0.002 0.000 2.368 67 S HA -0.309 4.171 4.470 0.016 0.000 0.225 67 S C 1.796 176.407 174.600 0.020 0.000 1.030 67 S CA 3.929 62.136 58.200 0.011 0.000 0.999 67 S CB -0.356 62.849 63.200 0.007 0.000 0.844 67 S HN 0.101 8.402 8.310 -0.004 0.006 0.459 68 D N 2.319 122.727 120.400 0.014 0.000 2.178 68 D HA -0.190 4.470 4.640 0.033 0.000 0.202 68 D C 2.040 178.372 176.300 0.053 0.000 0.974 68 D CA 3.076 57.092 54.000 0.028 0.000 0.841 68 D CB -0.259 40.550 40.800 0.015 0.000 0.953 68 D HN -0.630 7.664 8.370 0.001 0.078 0.478 69 I N 0.300 120.894 120.570 0.041 0.000 2.208 69 I HA -0.525 3.724 4.170 0.131 0.000 0.245 69 I C 2.045 178.219 176.117 0.095 0.000 1.097 69 I CA 4.137 65.486 61.300 0.082 0.000 1.363 69 I CB -0.246 37.786 38.000 0.054 0.000 1.051 69 I HN 0.159 8.298 8.210 0.011 0.077 0.413 70 T N 1.649 116.242 114.554 0.066 0.000 2.821 70 T HA -0.374 4.020 4.350 0.074 0.000 0.267 70 T C 2.213 176.951 174.700 0.064 0.000 1.046 70 T CA 4.853 66.992 62.100 0.064 0.000 1.139 70 T CB -0.725 68.170 68.868 0.046 0.000 0.871 70 T HN -0.073 8.118 8.240 0.049 0.078 0.454 71 N N 2.551 121.286 118.700 0.060 0.000 2.084 71 N HA -0.247 4.521 4.740 0.047 0.000 0.190 71 N C 2.278 177.832 175.510 0.074 0.000 1.030 71 N CA 3.171 56.255 53.050 0.057 0.000 0.849 71 N CB -0.543 37.974 38.487 0.049 0.000 1.012 71 N HN -0.330 7.993 8.380 0.055 0.089 0.423 72 I N 0.406 121.038 120.570 0.103 0.000 2.163 72 I HA -0.578 3.661 4.170 0.115 0.000 0.243 72 I C 1.668 177.854 176.117 0.114 0.000 1.085 72 I CA 4.487 65.865 61.300 0.129 0.000 1.347 72 I CB -0.224 37.897 38.000 0.201 0.000 1.044 72 I HN 0.245 8.519 8.210 0.107 0.000 0.408 73 Q N 0.108 119.978 119.800 0.115 0.000 2.077 73 Q HA -0.497 3.911 4.340 0.114 0.000 0.206 73 Q C 1.907 177.950 176.000 0.071 0.000 0.989 73 Q CA 3.231 59.096 55.803 0.103 0.000 0.853 73 Q CB -0.611 28.190 28.738 0.105 0.000 0.907 73 Q HN -0.048 8.295 8.270 0.122 0.000 0.418 74 A N -1.416 121.441 122.820 0.062 0.000 1.908 74 A HA -0.338 4.007 4.320 0.041 0.000 0.218 74 A C 1.961 179.566 177.584 0.036 0.000 1.181 74 A CA 2.887 54.950 52.037 0.044 0.000 0.627 74 A CB -1.017 18.005 19.000 0.038 0.000 0.818 74 A HN 0.034 8.224 8.150 0.066 0.000 0.445 75 A N -1.579 121.267 122.820 0.043 0.000 1.902 75 A HA -0.310 4.026 4.320 0.028 0.000 0.217 75 A C 2.112 179.717 177.584 0.035 0.000 1.181 75 A CA 2.806 54.865 52.037 0.038 0.000 0.623 75 A CB -0.512 18.516 19.000 0.047 0.000 0.818 75 A HN -0.384 7.798 8.150 0.053 0.000 0.443 76 I N -2.070 118.526 120.570 0.043 0.000 2.226 76 I HA -0.618 3.575 4.170 0.038 0.000 0.245 76 I C 1.635 177.748 176.117 -0.006 0.000 1.100 76 I CA 4.424 65.741 61.300 0.028 0.000 1.374 76 I CB -0.299 37.720 38.000 0.032 0.000 1.057 76 I HN 0.035 8.206 8.210 0.057 0.073 0.413 77 D N -0.008 120.391 120.400 -0.003 0.000 2.218 77 D HA -0.337 4.267 4.640 -0.059 0.000 0.204 77 D C 2.095 178.382 176.300 -0.021 0.000 0.976 77 D CA 4.540 58.527 54.000 -0.021 0.000 0.853 77 D CB -0.333 40.471 40.800 0.007 0.000 0.939 77 D HN 0.048 8.429 8.370 0.019 0.000 0.481 78 D N 0.208 120.604 120.400 -0.007 0.000 2.097 78 D HA -0.249 4.384 4.640 -0.012 0.000 0.195 78 D C 2.270 178.556 176.300 -0.023 0.000 0.989 78 D CA 3.444 57.437 54.000 -0.011 0.000 0.827 78 D CB 0.083 40.880 40.800 -0.004 0.000 0.966 78 D HN -0.616 7.740 8.370 0.003 0.016 0.456 79 V N -1.197 118.706 119.914 -0.018 0.000 2.343 79 V HA -0.469 3.626 4.120 -0.042 0.000 0.247 79 V C 2.253 178.307 176.094 -0.066 0.000 1.051 79 V CA 3.785 66.067 62.300 -0.030 0.000 1.036 79 V CB -0.603 31.234 31.823 0.024 0.000 0.654 79 V HN -0.747 7.441 8.190 -0.004 0.000 0.451 80 K N -0.767 119.585 120.400 -0.080 0.000 2.147 80 K HA -0.258 4.099 4.320 -0.158 -0.132 0.205 80 K C 2.353 178.892 176.600 -0.103 0.000 1.049 80 K CA 3.221 59.424 56.287 -0.140 0.000 0.936 80 K CB -0.260 32.110 32.500 -0.217 0.000 0.722 80 K HN 0.072 8.211 8.250 -0.064 0.072 0.446 81 A N -2.361 120.423 122.820 -0.060 0.000 1.935 81 A HA -0.103 4.206 4.320 -0.018 0.000 0.214 81 A C 0.947 178.517 177.584 -0.023 0.000 1.178 81 A CA 2.519 54.541 52.037 -0.025 0.000 0.640 81 A CB -0.157 18.843 19.000 -0.001 0.000 0.825 81 A HN 0.067 7.974 8.150 -0.053 0.211 0.447 82 S N -2.896 112.783 115.700 -0.036 0.000 2.398 82 S HA -0.095 4.362 4.470 -0.022 0.000 0.220 82 S C 1.151 175.713 174.600 -0.064 0.000 1.046 82 S CA 2.564 60.741 58.200 -0.038 0.000 0.953 82 S CB 0.851 64.029 63.200 -0.036 0.000 0.856 82 S HN -0.189 8.096 8.310 -0.042 0.000 0.506 83 E N -0.349 119.794 120.200 -0.093 0.000 2.474 83 E HA 0.080 4.352 4.350 -0.130 0.000 0.195 83 E C -0.186 176.316 176.600 -0.164 0.000 1.039 83 E CA -0.626 55.688 56.400 -0.144 0.000 0.881 83 E CB 0.243 29.824 29.700 -0.198 0.000 0.970 83 E HN -0.235 7.976 8.360 -0.087 0.097 0.486 84 Q N -5.851 113.876 119.800 -0.121 0.000 2.439 84 Q HA -0.399 4.039 4.340 -0.094 -0.154 0.247 84 Q C -1.303 174.618 176.000 -0.132 0.000 0.899 84 Q CA 1.661 57.398 55.803 -0.110 0.000 1.201 84 Q CB -2.611 26.075 28.738 -0.088 0.000 1.608 84 Q HN -0.294 7.850 8.270 -0.097 0.068 0.563 85 K N -1.198 119.105 120.400 -0.161 0.000 2.211 85 K HA 0.048 4.420 4.320 -0.078 -0.098 0.275 85 K C -0.859 175.750 176.600 0.017 0.000 1.024 85 K CA -0.685 55.538 56.287 -0.106 0.000 0.887 85 K CB 1.244 33.521 32.500 -0.372 0.000 1.084 85 K HN -0.779 7.316 8.250 -0.164 0.057 0.463 86 V N 6.374 126.312 119.914 0.041 0.000 2.318 86 V HA 0.129 4.106 4.120 -0.240 0.000 0.271 86 V C -1.241 174.726 176.094 -0.212 0.000 1.030 86 V CA -1.020 61.171 62.300 -0.183 0.000 0.844 86 V CB 0.698 32.332 31.823 -0.315 0.000 1.015 86 V HN 0.507 8.669 8.190 0.134 0.108 0.460 87 I N 6.373 126.829 120.570 -0.190 0.000 2.532 87 I HA 0.059 4.257 4.170 -0.138 -0.111 0.292 87 I C -0.536 175.407 176.117 -0.289 0.000 1.014 87 I CA 0.075 61.279 61.300 -0.159 0.000 1.340 87 I CB 1.429 39.424 38.000 -0.008 0.000 1.422 87 I HN 0.049 8.176 8.210 -0.138 0.000 0.528 88 F N 4.448 124.457 119.950 0.098 0.000 2.539 88 F HA 0.287 5.071 4.527 0.130 -0.179 0.328 88 F C -1.724 174.156 175.800 0.133 0.000 1.148 88 F CA -2.251 55.823 58.000 0.123 0.000 0.940 88 F CB 3.270 42.346 39.000 0.128 0.000 1.194 88 F HN 0.814 9.183 8.300 0.114 0.000 0.438 89 V N 5.465 125.570 119.914 0.317 0.000 2.347 89 V HA 0.251 4.592 4.120 0.119 -0.150 0.280 89 V C -1.441 174.642 176.094 -0.019 0.000 1.021 89 V CA -0.611 61.756 62.300 0.112 0.000 0.847 89 V CB 0.998 32.870 31.823 0.082 0.000 0.990 89 V HN 1.083 9.488 8.190 0.359 0.000 0.444 90 V N 8.414 128.236 119.914 -0.153 0.000 2.350 90 V HA 0.637 5.053 4.120 0.072 -0.253 0.285 90 V C -1.117 174.777 176.094 -0.333 0.000 1.014 90 V CA -1.457 60.792 62.300 -0.085 0.000 0.831 90 V CB 1.323 33.197 31.823 0.086 0.000 1.000 90 V HN 1.005 9.076 8.190 -0.199 0.000 0.433 91 F N 7.662 127.581 119.950 -0.051 0.000 2.405 91 F HA 0.214 4.727 4.527 -0.226 -0.122 0.358 91 F C -0.695 175.019 175.800 -0.142 0.000 1.151 91 F CA -0.466 57.456 58.000 -0.131 0.000 1.161 91 F CB -0.626 38.331 39.000 -0.072 0.000 1.245 91 F HN 0.697 9.156 8.300 0.265 0.000 0.545 92 L N 2.020 123.078 121.223 -0.274 0.000 2.416 92 L HA 0.180 4.307 4.340 -0.355 0.000 0.262 92 L C 0.961 177.604 176.870 -0.380 0.000 1.093 92 L CA -0.791 53.765 54.840 -0.474 0.000 0.801 92 L CB 1.042 42.499 42.059 -1.003 0.000 1.191 92 L HN 0.616 8.504 8.230 -0.410 0.096 0.459 93 S N 0.290 115.780 115.700 -0.349 0.000 2.345 93 S HA -0.188 4.148 4.470 -0.223 0.000 0.219 93 S C -0.236 174.168 174.600 -0.327 0.000 1.031 93 S CA 2.293 60.332 58.200 -0.268 0.000 0.984 93 S CB 0.434 63.524 63.200 -0.183 0.000 0.874 93 S HN 0.407 8.490 8.310 -0.378 0.000 0.451 94 S N -1.620 113.829 115.700 -0.419 0.000 2.727 94 S HA 0.099 4.328 4.470 -0.401 0.000 0.278 94 S C -1.014 173.231 174.600 -0.592 0.000 1.186 94 S CA -0.269 57.692 58.200 -0.398 0.000 0.836 94 S CB 1.792 64.885 63.200 -0.177 0.000 1.186 94 S HN -0.744 7.297 8.310 -0.449 0.000 0.499 95 F N 0.473 120.291 119.950 -0.220 0.000 2.664 95 F HA 0.282 4.596 4.527 -0.356 0.000 0.303 95 F C -0.005 175.727 175.800 -0.113 0.000 1.092 95 F CA 0.265 58.130 58.000 -0.227 0.000 1.305 95 F CB 1.449 40.337 39.000 -0.186 0.000 1.054 95 F HN 0.591 8.911 8.300 0.032 0.000 0.565 96 D N 1.452 121.858 120.400 0.011 0.000 4.565 96 D HA -0.436 4.198 4.640 -0.010 0.000 0.225 96 D C 0.622 176.950 176.300 0.047 0.000 0.678 96 D CA 2.498 56.506 54.000 0.013 0.000 1.701 96 D CB -0.728 40.074 40.800 0.004 0.000 1.028 96 D HN -0.522 7.753 8.370 -0.046 0.067 0.400 97 G N -2.406 106.437 108.800 0.072 0.000 5.284 97 G HA2 0.039 4.030 3.960 0.051 0.000 0.236 97 G HA3 0.039 4.026 3.960 0.044 0.000 0.236 97 G C -0.335 174.613 174.900 0.079 0.000 0.870 97 G CA 0.096 45.232 45.100 0.061 0.000 0.724 97 G HN -0.224 8.110 8.290 0.091 0.011 0.336 98 V N -0.435 119.561 119.914 0.137 0.000 3.431 98 V HA 0.068 4.257 4.120 0.115 0.000 0.253 98 V C -0.747 175.414 176.094 0.111 0.000 1.184 98 V CA 0.383 62.784 62.300 0.168 0.000 1.104 98 V CB 1.111 33.142 31.823 0.347 0.000 0.799 98 V HN 0.081 8.374 8.190 0.171 0.000 0.462 99 D N -2.468 117.961 120.400 0.048 0.000 10.739 99 D HA -0.195 4.328 4.640 -0.194 0.000 0.334 99 D C -1.609 174.482 176.300 -0.347 0.000 3.121 99 D CA 0.917 54.833 54.000 -0.140 0.000 2.717 99 D CB -0.660 40.082 40.800 -0.096 0.000 1.202 99 D HN -0.639 7.790 8.370 0.098 0.000 0.937 100 P HA -0.235 2.814 4.420 -2.285 0.000 0.213 100 P C 0.884 177.972 177.300 -0.354 0.000 1.170 100 P CA 2.857 65.220 63.100 -1.228 0.000 0.898 100 P CB 0.304 31.324 31.700 -1.135 0.000 0.787 101 E N -3.159 116.894 120.200 -0.244 0.000 2.110 101 E HA -0.323 3.996 4.350 -0.050 0.000 0.193 101 E C 2.047 178.635 176.600 -0.019 0.000 0.988 101 E CA 3.748 60.092 56.400 -0.094 0.000 0.804 101 E CB -0.851 28.785 29.700 -0.108 0.000 0.745 101 E HN 0.484 8.660 8.360 -0.306 0.000 0.458 102 T N 2.176 116.716 114.554 -0.025 0.000 2.777 102 T HA -0.281 4.066 4.350 -0.005 0.000 0.266 102 T C 1.330 176.075 174.700 0.075 0.000 1.040 102 T CA 4.551 66.659 62.100 0.013 0.000 1.141 102 T CB -0.597 68.275 68.868 0.005 0.000 0.868 102 T HN -0.106 8.088 8.240 -0.076 0.000 0.444 103 W N 1.873 123.150 121.300 -0.039 0.000 2.354 103 W HA -0.373 4.309 4.660 0.036 0.000 0.315 103 W C 1.128 177.671 176.519 0.040 0.000 1.206 103 W CA 4.451 61.820 57.345 0.041 0.000 1.290 103 W CB 0.332 29.902 29.460 0.184 0.000 1.152 103 W HN 0.453 8.766 8.180 0.222 0.000 0.489 104 T N -1.172 113.628 114.554 0.410 0.000 2.684 104 T HA -0.532 4.032 4.350 0.357 0.000 0.267 104 T C 2.238 176.956 174.700 0.030 0.000 1.036 104 T CA 4.411 66.671 62.100 0.266 0.000 1.148 104 T CB -1.226 67.795 68.868 0.256 0.000 0.863 104 T HN -0.134 8.366 8.240 0.433 0.000 0.436 105 Q N 1.111 120.920 119.800 0.016 0.000 2.061 105 Q HA -0.365 3.968 4.340 -0.012 0.000 0.204 105 Q C 2.629 178.584 176.000 -0.075 0.000 0.984 105 Q CA 3.366 59.155 55.803 -0.023 0.000 0.846 105 Q CB -0.770 27.958 28.738 -0.017 0.000 0.902 105 Q HN -0.394 7.904 8.270 0.047 0.000 0.421 106 Q N -0.651 119.074 119.800 -0.125 0.000 2.061 106 Q HA -0.347 3.920 4.340 -0.121 0.000 0.204 106 Q C 2.277 178.131 176.000 -0.243 0.000 0.984 106 Q CA 3.001 58.697 55.803 -0.178 0.000 0.846 106 Q CB -0.237 28.371 28.738 -0.216 0.000 0.902 106 Q HN -0.257 7.949 8.270 -0.106 0.000 0.421 107 A N -0.199 122.390 122.820 -0.385 0.000 1.933 107 A HA -0.241 3.843 4.320 -0.393 0.000 0.218 107 A C 2.202 179.685 177.584 -0.167 0.000 1.175 107 A CA 2.910 54.715 52.037 -0.388 0.000 0.628 107 A CB -0.641 17.993 19.000 -0.609 0.000 0.814 107 A HN 0.038 7.907 8.150 -0.469 0.000 0.444 108 L N -1.187 119.979 121.223 -0.094 0.000 2.093 108 L HA -0.400 3.957 4.340 0.028 0.000 0.208 108 L C 1.918 178.778 176.870 -0.016 0.000 1.085 108 L CA 3.117 57.949 54.840 -0.014 0.000 0.755 108 L CB -0.252 41.809 42.059 0.004 0.000 0.904 108 L HN 0.156 8.226 8.230 -0.110 0.094 0.435 109 Q N -1.634 118.139 119.800 -0.045 0.000 2.020 109 Q HA -0.376 3.955 4.340 -0.014 0.000 0.202 109 Q C 3.016 178.994 176.000 -0.037 0.000 0.982 109 Q CA 2.765 58.547 55.803 -0.035 0.000 0.838 109 Q CB -0.880 27.829 28.738 -0.048 0.000 0.899 109 Q HN 0.195 8.340 8.270 -0.068 0.084 0.423 110 A N 0.109 122.889 122.820 -0.067 0.000 1.978 110 A HA -0.235 4.055 4.320 -0.050 0.000 0.220 110 A C 1.553 179.115 177.584 -0.036 0.000 1.170 110 A CA 2.693 54.693 52.037 -0.062 0.000 0.636 110 A CB -0.675 18.265 19.000 -0.100 0.000 0.810 110 A HN 0.145 8.236 8.150 -0.097 0.000 0.448 111 N N -4.579 114.107 118.700 -0.023 0.000 2.467 111 N HA -0.021 4.727 4.740 0.015 0.000 0.184 111 N C 0.241 175.782 175.510 0.052 0.000 1.106 111 N CA 0.045 53.110 53.050 0.025 0.000 0.892 111 N CB 0.431 38.957 38.487 0.066 0.000 0.969 111 N HN -0.507 7.748 8.380 -0.039 0.102 0.454 112 G N -0.950 107.870 108.800 0.033 0.000 2.338 112 G HA2 -0.354 3.623 3.960 0.028 0.000 0.296 112 G HA3 -0.354 3.628 3.960 0.036 0.000 0.296 112 G C 0.343 175.285 174.900 0.070 0.000 1.040 112 G CA 0.454 45.578 45.100 0.041 0.000 1.004 112 G HN -0.366 7.725 8.290 0.012 0.206 0.509 113 G N 0.208 109.057 108.800 0.081 0.000 2.326 113 G HA2 -0.301 3.750 3.960 0.152 0.000 0.286 113 G HA3 -0.301 3.724 3.960 0.107 0.000 0.286 113 G C -0.319 174.655 174.900 0.124 0.000 0.927 113 G CA 0.385 45.556 45.100 0.118 0.000 1.553 113 G HN -0.056 8.270 8.290 0.061 0.000 0.415 114 G N 3.422 112.299 108.800 0.128 0.000 2.518 114 G HA2 -0.248 3.774 3.960 0.103 0.000 0.213 114 G HA3 -0.248 3.768 3.960 0.093 0.000 0.213 114 G C -0.408 174.594 174.900 0.170 0.000 1.226 114 G CA 1.174 46.345 45.100 0.119 0.000 0.822 114 G HN -0.151 8.216 8.290 0.127 0.000 0.546 115 N N -1.702 117.103 118.700 0.176 0.000 2.235 115 N HA 0.014 4.877 4.740 0.204 0.000 0.209 115 N C -0.894 174.873 175.510 0.428 0.000 1.122 115 N CA -0.918 52.264 53.050 0.221 0.000 0.845 115 N CB -0.273 38.258 38.487 0.074 0.000 1.004 115 N HN 0.185 8.654 8.380 0.148 0.000 0.499 116 V N 0.761 120.866 119.914 0.318 0.000 2.607 116 V HA 0.588 5.057 4.120 0.141 -0.265 0.289 116 V C -1.692 174.432 176.094 0.049 0.000 1.053 116 V CA 0.043 62.471 62.300 0.213 0.000 0.996 116 V CB 1.234 33.206 31.823 0.248 0.000 0.995 116 V HN -0.713 7.552 8.190 0.264 0.083 0.476 117 L N 6.320 127.477 121.223 -0.109 0.000 2.372 117 L HA 0.576 4.820 4.340 -0.401 -0.144 0.274 117 L C -2.032 174.821 176.870 -0.029 0.000 0.988 117 L CA -1.297 53.328 54.840 -0.360 0.000 0.833 117 L CB 3.278 44.777 42.059 -0.933 0.000 1.236 117 L HN 0.379 8.574 8.230 -0.058 0.000 0.410 118 I N 6.745 127.350 120.570 0.059 0.000 2.325 118 I HA 0.221 4.692 4.170 0.316 -0.112 0.291 118 I C -1.848 174.425 176.117 0.259 0.000 1.019 118 I CA -2.133 59.296 61.300 0.216 0.000 1.302 118 I CB -0.754 37.364 38.000 0.197 0.000 1.401 118 I HN 0.827 9.031 8.210 -0.011 0.000 0.485 119 Y N 10.398 130.778 120.300 0.135 0.000 2.345 119 Y HA 0.567 5.359 4.550 0.114 -0.174 0.331 119 Y C -2.971 172.996 175.900 0.111 0.000 0.959 119 Y CA -3.107 55.053 58.100 0.100 0.000 1.204 119 Y CB 2.457 40.930 38.460 0.021 0.000 1.135 119 Y HN 1.010 9.502 8.280 0.353 0.000 0.477 120 A N 9.113 131.938 122.820 0.009 0.000 2.271 120 A HA 0.716 5.006 4.320 -0.347 -0.178 0.317 120 A C -2.869 174.591 177.584 -0.206 0.000 1.245 120 A CA -2.317 49.623 52.037 -0.161 0.000 0.857 120 A CB 2.449 21.500 19.000 0.085 0.000 1.175 120 A HN 0.984 9.297 8.150 0.272 0.000 0.512 121 L N 4.322 125.259 121.223 -0.477 0.000 2.362 121 L HA 0.542 4.898 4.340 0.027 0.000 0.275 121 L C -2.757 173.937 176.870 -0.294 0.000 0.998 121 L CA -0.923 53.745 54.840 -0.286 0.000 0.820 121 L CB 4.817 46.600 42.059 -0.460 0.000 1.270 121 L HN 0.435 8.301 8.230 -0.606 0.000 0.415 122 A N 5.677 128.404 122.820 -0.156 0.000 2.644 122 A HA 0.829 5.139 4.320 -0.413 -0.238 0.343 122 A C -2.027 175.345 177.584 -0.354 0.000 1.324 122 A CA -3.893 47.962 52.037 -0.303 0.000 0.846 122 A CB 0.077 18.916 19.000 -0.267 0.000 1.128 122 A HN 0.997 9.206 8.150 0.098 0.000 0.484 123 P HA -0.247 2.860 4.420 -2.187 0.000 0.216 123 P C 1.620 178.470 177.300 -0.749 0.000 1.150 123 P CA 2.231 64.521 63.100 -1.351 0.000 0.843 123 P CB 0.104 30.863 31.700 -1.567 0.000 0.787 124 E N -1.682 118.269 120.200 -0.416 0.000 2.160 124 E HA -0.208 4.036 4.350 -0.177 0.000 0.195 124 E C 2.015 178.544 176.600 -0.119 0.000 0.991 124 E CA 2.677 58.949 56.400 -0.212 0.000 0.810 124 E CB -0.750 28.850 29.700 -0.166 0.000 0.742 124 E HN 0.524 8.621 8.360 -0.406 0.019 0.466 125 E N -3.176 116.957 120.200 -0.112 0.000 2.603 125 E HA 0.090 4.444 4.350 0.007 0.000 0.211 125 E C -1.063 175.570 176.600 0.055 0.000 0.995 125 E CA -1.291 55.103 56.400 -0.010 0.000 0.990 125 E CB 0.514 30.221 29.700 0.012 0.000 1.036 125 E HN -0.611 7.513 8.360 -0.174 0.131 0.475 126 R N -2.886 117.634 120.500 0.033 0.000 3.741 126 R HA -0.299 4.197 4.340 0.259 0.000 0.292 126 R C -0.652 175.825 176.300 0.294 0.000 1.176 126 R CA 1.106 57.341 56.100 0.224 0.000 0.794 126 R CB -2.652 27.826 30.300 0.298 0.000 1.213 126 R HN -0.372 7.636 8.270 -0.126 0.186 0.494 127 Q N -3.125 116.822 119.800 0.245 0.000 2.351 127 Q HA 0.284 4.813 4.340 0.315 0.000 0.273 127 Q C -2.694 173.559 176.000 0.421 0.000 1.077 127 Q CA -1.887 54.085 55.803 0.282 0.000 0.843 127 Q CB 3.338 32.162 28.738 0.143 0.000 1.367 127 Q HN -0.648 7.680 8.270 0.151 0.032 0.449 128 Y N -2.698 117.691 120.300 0.148 0.000 2.725 128 Y HA 0.949 5.784 4.550 0.266 -0.125 0.333 128 Y C -2.128 173.799 175.900 0.044 0.000 1.242 128 Y CA -2.418 55.785 58.100 0.172 0.000 1.059 128 Y CB 3.085 41.716 38.460 0.284 0.000 1.306 128 Y HN -0.163 8.040 8.280 -0.127 0.000 0.454 129 G N -1.423 107.488 108.800 0.185 0.000 2.746 129 G HA2 0.407 4.290 3.960 -0.128 0.000 0.297 129 G HA3 0.407 4.339 3.960 -0.047 0.000 0.297 129 G C -3.155 171.936 174.900 0.319 0.000 1.426 129 G CA -0.405 44.731 45.100 0.061 0.000 0.989 129 G HN 0.543 9.082 8.290 0.414 0.000 0.520 130 I N 2.068 122.763 120.570 0.208 0.000 2.478 130 I HA 0.546 5.040 4.170 0.263 -0.166 0.287 130 I C -1.512 174.632 176.117 0.045 0.000 1.042 130 I CA -1.099 60.307 61.300 0.177 0.000 1.067 130 I CB 2.978 41.048 38.000 0.117 0.000 1.233 130 I HN 0.222 8.486 8.210 0.090 0.000 0.431 131 Q N 6.565 126.373 119.800 0.013 0.000 2.289 131 Q HA 0.379 4.689 4.340 -0.050 0.000 0.270 131 Q C -1.890 174.024 176.000 -0.145 0.000 1.038 131 Q CA -1.692 54.085 55.803 -0.043 0.000 0.812 131 Q CB 4.730 33.470 28.738 0.003 0.000 1.300 131 Q HN 0.587 8.887 8.270 0.051 0.000 0.427 132 G N 0.095 108.772 108.800 -0.205 0.000 2.537 132 G HA2 0.719 4.491 3.960 -0.511 0.000 0.323 132 G HA3 0.719 4.302 3.960 -0.628 0.000 0.323 132 G C -1.434 173.429 174.900 -0.061 0.000 1.207 132 G CA -1.762 43.109 45.100 -0.382 0.000 0.976 132 G HN 0.191 8.407 8.290 -0.124 0.000 0.487 133 G N -1.446 107.407 108.800 0.088 0.000 2.535 133 G HA2 0.194 4.217 3.960 0.114 0.000 0.282 133 G HA3 0.194 4.422 3.960 0.230 -0.129 0.282 133 G C 0.201 175.250 174.900 0.250 0.000 1.350 133 G CA -0.539 44.681 45.100 0.199 0.000 1.039 133 G HN 0.163 8.475 8.290 0.036 0.000 0.509 134 T N 0.591 115.245 114.554 0.167 0.000 2.803 134 T HA -0.347 4.067 4.350 0.106 0.000 0.269 134 T C 1.243 176.014 174.700 0.117 0.000 1.052 134 T CA 2.586 64.758 62.100 0.119 0.000 1.136 134 T CB 0.154 69.067 68.868 0.074 0.000 0.864 134 T HN -0.191 8.133 8.240 0.141 0.000 0.467 135 Q N -1.950 117.926 119.800 0.127 0.000 2.253 135 Q HA 0.047 4.372 4.340 -0.025 0.000 0.210 135 Q C -0.950 174.969 176.000 -0.134 0.000 0.907 135 Q CA -0.108 55.688 55.803 -0.012 0.000 0.948 135 Q CB 0.061 28.755 28.738 -0.074 0.000 1.033 135 Q HN -0.134 8.219 8.270 0.181 0.025 0.471 136 W N -1.235 120.066 121.300 0.002 0.000 2.736 136 W HA 0.254 5.055 4.660 -0.004 -0.143 0.335 136 W C 0.036 176.557 176.519 0.002 0.000 1.059 136 W CA -1.032 56.313 57.345 0.001 0.000 1.226 136 W CB 2.645 32.109 29.460 0.006 0.000 1.416 136 W HN -0.370 7.885 8.180 0.311 0.111 0.505 137 T N -1.000 113.681 114.554 0.213 0.000 2.918 137 T HA 0.360 4.775 4.350 0.108 0.000 0.283 137 T C 1.005 175.790 174.700 0.141 0.000 1.001 137 T CA -2.273 59.906 62.100 0.131 0.000 1.041 137 T CB 3.081 71.991 68.868 0.069 0.000 1.028 137 T HN 0.136 8.768 8.240 0.192 -0.277 0.511 138 D N 3.611 124.064 120.400 0.089 0.000 2.190 138 D HA -0.334 4.347 4.640 0.068 0.000 0.200 138 D C 1.296 177.634 176.300 0.064 0.000 0.992 138 D CA 3.104 57.144 54.000 0.066 0.000 0.854 138 D CB -0.671 40.154 40.800 0.041 0.000 0.936 138 D HN 0.662 9.076 8.370 0.073 0.000 0.462 139 A N -0.022 122.836 122.820 0.065 0.000 1.898 139 A HA -0.213 4.133 4.320 0.044 0.000 0.216 139 A C 2.257 179.891 177.584 0.083 0.000 1.181 139 A CA 2.714 54.786 52.037 0.057 0.000 0.620 139 A CB -0.641 18.385 19.000 0.043 0.000 0.819 139 A HN 0.019 8.184 8.150 0.062 0.022 0.442 140 E N -0.413 119.865 120.200 0.130 0.000 2.058 140 E HA -0.409 4.038 4.350 0.163 0.000 0.194 140 E C 2.674 179.390 176.600 0.194 0.000 0.997 140 E CA 3.191 59.718 56.400 0.211 0.000 0.801 140 E CB -0.124 29.797 29.700 0.369 0.000 0.746 140 E HN -0.561 7.801 8.360 0.127 0.074 0.450 141 L N -1.849 119.466 121.223 0.152 0.000 2.046 141 L HA -0.422 3.904 4.340 -0.022 0.000 0.208 141 L C 2.151 179.037 176.870 0.028 0.000 1.077 141 L CA 2.941 57.806 54.840 0.042 0.000 0.747 141 L CB -0.552 41.519 42.059 0.021 0.000 0.896 141 L HN -0.087 8.249 8.230 0.178 0.000 0.432 142 D N -0.918 119.506 120.400 0.040 0.000 2.097 142 D HA -0.305 4.347 4.640 0.021 0.000 0.195 142 D C 1.844 178.163 176.300 0.032 0.000 0.989 142 D CA 3.392 57.409 54.000 0.028 0.000 0.827 142 D CB -0.052 40.762 40.800 0.023 0.000 0.966 142 D HN -0.371 8.031 8.370 0.053 0.000 0.456 143 A N -1.016 121.830 122.820 0.043 0.000 1.917 143 A HA -0.333 4.008 4.320 0.035 0.000 0.219 143 A C 2.038 179.640 177.584 0.030 0.000 1.182 143 A CA 3.201 55.262 52.037 0.041 0.000 0.633 143 A CB -0.817 18.214 19.000 0.053 0.000 0.819 143 A HN 0.135 8.317 8.150 0.053 0.000 0.448 144 A N -1.761 121.073 122.820 0.023 0.000 1.902 144 A HA -0.432 3.868 4.320 -0.033 0.000 0.217 144 A C 1.594 179.140 177.584 -0.064 0.000 1.181 144 A CA 3.115 55.130 52.037 -0.036 0.000 0.623 144 A CB -0.732 18.221 19.000 -0.078 0.000 0.818 144 A HN 0.205 8.384 8.150 0.047 0.000 0.443 145 N N -1.149 117.548 118.700 -0.005 0.000 2.058 145 N HA -0.312 4.487 4.740 0.099 0.000 0.191 145 N C 2.246 177.812 175.510 0.093 0.000 1.037 145 N CA 3.098 56.192 53.050 0.074 0.000 0.848 145 N CB -0.240 38.304 38.487 0.096 0.000 1.021 145 N HN -0.114 8.186 8.380 0.005 0.083 0.422 146 N N 0.193 118.934 118.700 0.069 0.000 2.166 146 N HA -0.356 4.475 4.740 0.152 0.000 0.186 146 N C 1.923 177.496 175.510 0.105 0.000 1.019 146 N CA 3.643 56.755 53.050 0.104 0.000 0.856 146 N CB -0.049 38.477 38.487 0.064 0.000 0.993 146 N HN 0.211 8.618 8.380 0.046 0.000 0.426 147 A N 0.054 122.897 122.820 0.038 0.000 1.865 147 A HA -0.252 4.080 4.320 0.019 0.000 0.217 147 A C 1.740 179.310 177.584 -0.023 0.000 1.191 147 A CA 3.064 55.104 52.037 0.005 0.000 0.623 147 A CB -0.721 18.270 19.000 -0.016 0.000 0.826 147 A HN 0.275 8.333 8.150 0.024 0.106 0.444 148 A N -1.356 121.416 122.820 -0.080 0.000 1.877 148 A HA -0.225 4.171 4.320 -0.106 -0.140 0.216 148 A C 1.752 179.276 177.584 -0.100 0.000 1.186 148 A CA 2.453 54.406 52.037 -0.139 0.000 0.620 148 A CB -0.506 18.289 19.000 -0.342 0.000 0.822 148 A HN -0.185 7.905 8.150 -0.099 0.000 0.443 149 F N 0.071 119.897 119.950 -0.206 0.000 2.120 149 F HA -0.512 3.856 4.527 -0.265 0.000 0.300 149 F C 1.553 177.304 175.800 -0.080 0.000 1.095 149 F CA 3.611 61.520 58.000 -0.151 0.000 1.249 149 F CB -0.054 38.939 39.000 -0.012 0.000 0.995 149 F HN -0.025 8.334 8.300 0.098 0.000 0.480 150 Q N -2.315 117.438 119.800 -0.079 0.000 2.045 150 Q HA -0.517 3.704 4.340 -0.197 0.000 0.206 150 Q C 2.453 178.316 176.000 -0.228 0.000 0.991 150 Q CA 3.265 58.976 55.803 -0.153 0.000 0.851 150 Q CB -0.482 28.232 28.738 -0.040 0.000 0.911 150 Q HN -0.260 8.050 8.270 0.080 0.007 0.418 151 A N -1.116 121.599 122.820 -0.175 0.000 1.968 151 A HA -0.155 4.055 4.320 -0.183 0.000 0.217 151 A C 1.920 179.336 177.584 -0.280 0.000 1.169 151 A CA 2.533 54.459 52.037 -0.184 0.000 0.638 151 A CB -0.773 18.166 19.000 -0.101 0.000 0.812 151 A HN -0.537 7.538 8.150 -0.124 0.000 0.446 152 L N -2.176 118.878 121.223 -0.282 0.000 2.093 152 L HA -0.403 3.762 4.340 -0.291 0.000 0.208 152 L C 2.667 179.311 176.870 -0.377 0.000 1.085 152 L CA 2.698 57.373 54.840 -0.274 0.000 0.755 152 L CB -0.380 41.599 42.059 -0.134 0.000 0.904 152 L HN -0.038 7.918 8.230 -0.257 0.120 0.435 153 S N -0.921 114.478 115.700 -0.502 0.000 2.402 153 S HA -0.235 4.046 4.470 -0.315 0.000 0.229 153 S C 1.745 176.161 174.600 -0.306 0.000 1.021 153 S CA 2.872 60.821 58.200 -0.418 0.000 0.974 153 S CB -0.385 62.501 63.200 -0.524 0.000 0.800 153 S HN -0.026 7.903 8.310 -0.635 0.000 0.484 154 Q N -1.273 118.331 119.800 -0.326 0.000 2.472 154 Q HA -0.033 4.172 4.340 -0.224 0.000 0.208 154 Q C -0.941 174.817 176.000 -0.403 0.000 0.958 154 Q CA 0.269 55.900 55.803 -0.286 0.000 0.932 154 Q CB 0.353 28.950 28.738 -0.234 0.000 1.007 154 Q HN -0.678 7.286 8.270 -0.347 0.098 0.508 155 E N -4.997 114.825 120.200 -0.630 0.000 2.791 155 E HA -0.362 2.874 4.350 -1.982 -0.075 0.271 155 E C -1.428 174.416 176.600 -1.259 0.000 1.044 155 E CA 0.816 56.474 56.400 -1.237 0.000 0.814 155 E CB -2.010 27.243 29.700 -0.744 0.000 1.400 155 E HN -0.355 7.513 8.360 -0.559 0.156 0.423 156 D N -0.248 119.711 120.400 -0.735 0.000 2.563 156 D HA 0.100 4.485 4.640 -0.426 0.000 0.222 156 D C 0.342 176.489 176.300 -0.255 0.000 1.145 156 D CA -1.326 52.413 54.000 -0.435 0.000 1.001 156 D CB -0.647 40.018 40.800 -0.226 0.000 1.049 156 D HN -0.139 7.836 8.370 -0.576 0.050 0.515 157 W N 2.906 124.248 121.300 0.069 0.000 2.338 157 W HA -0.480 4.274 4.660 0.157 0.000 0.304 157 W C 1.390 178.096 176.519 0.311 0.000 1.212 157 W CA 2.784 60.233 57.345 0.173 0.000 1.264 157 W CB -0.668 28.896 29.460 0.173 0.000 1.142 157 W HN -0.523 7.253 8.180 -0.675 0.000 0.512 158 A N -1.694 121.356 122.820 0.384 0.000 1.930 158 A HA -0.293 4.398 4.320 0.618 0.000 0.217 158 A C 1.839 179.586 177.584 0.271 0.000 1.175 158 A CA 2.442 54.687 52.037 0.345 0.000 0.627 158 A CB -0.796 18.277 19.000 0.120 0.000 0.815 158 A HN 0.046 8.351 8.150 0.258 0.000 0.443 159 G N -2.135 106.752 108.800 0.145 0.000 2.448 159 G HA2 -0.390 3.618 3.960 0.079 0.000 0.219 159 G HA3 -0.390 3.694 3.960 0.023 -0.110 0.219 159 G C 1.303 176.256 174.900 0.088 0.000 1.127 159 G CA 1.827 46.975 45.100 0.080 0.000 0.766 159 G HN -0.227 8.201 8.290 0.102 -0.076 0.552 160 S N 2.137 117.915 115.700 0.129 0.000 2.356 160 S HA -0.338 4.139 4.470 0.012 0.000 0.223 160 S C 1.856 176.514 174.600 0.096 0.000 1.032 160 S CA 3.745 62.006 58.200 0.100 0.000 1.005 160 S CB -0.409 62.902 63.200 0.185 0.000 0.867 160 S HN -0.335 8.056 8.310 0.170 0.021 0.449 161 A N 2.896 125.875 122.820 0.266 0.000 1.877 161 A HA -0.179 4.229 4.320 0.147 0.000 0.216 161 A C 2.108 179.765 177.584 0.121 0.000 1.186 161 A CA 2.621 54.800 52.037 0.237 0.000 0.620 161 A CB -1.057 18.149 19.000 0.343 0.000 0.822 161 A HN -0.499 7.873 8.150 0.370 0.000 0.443 162 L N -1.089 120.216 121.223 0.136 0.000 1.989 162 L HA -0.432 3.965 4.340 0.094 0.000 0.211 162 L C 1.604 178.502 176.870 0.045 0.000 1.071 162 L CA 3.027 57.921 54.840 0.089 0.000 0.749 162 L CB -0.029 42.082 42.059 0.087 0.000 0.890 162 L HN -0.564 7.775 8.230 0.181 0.000 0.431 163 A N -1.283 121.554 122.820 0.027 0.000 1.902 163 A HA -0.342 3.984 4.320 0.009 0.000 0.217 163 A C 1.852 179.427 177.584 -0.015 0.000 1.181 163 A CA 3.061 55.099 52.037 0.002 0.000 0.623 163 A CB -0.924 18.070 19.000 -0.010 0.000 0.818 163 A HN 0.323 8.386 8.150 0.039 0.110 0.443 164 L N -1.168 120.022 121.223 -0.055 0.000 2.013 164 L HA -0.431 3.851 4.340 -0.097 0.000 0.212 164 L C 1.901 178.760 176.870 -0.019 0.000 1.073 164 L CA 2.901 57.681 54.840 -0.100 0.000 0.753 164 L CB -0.058 41.839 42.059 -0.269 0.000 0.890 164 L HN -0.115 8.080 8.230 -0.058 0.000 0.432 165 A N -2.304 120.523 122.820 0.012 0.000 1.877 165 A HA -0.405 3.963 4.320 0.081 0.000 0.216 165 A C 1.934 179.548 177.584 0.050 0.000 1.186 165 A CA 3.070 55.138 52.037 0.052 0.000 0.620 165 A CB -0.732 18.301 19.000 0.056 0.000 0.822 165 A HN -0.236 7.920 8.150 0.009 0.000 0.443 166 E N -1.546 118.673 120.200 0.033 0.000 2.118 166 E HA -0.421 3.943 4.350 0.024 0.000 0.195 166 E C 2.511 179.126 176.600 0.026 0.000 0.992 166 E CA 2.914 59.330 56.400 0.025 0.000 0.804 166 E CB -0.779 28.931 29.700 0.018 0.000 0.741 166 E HN 0.045 8.423 8.360 0.029 0.000 0.458 167 S N -1.956 113.762 115.700 0.030 0.000 2.419 167 S HA -0.253 4.233 4.470 0.026 0.000 0.235 167 S C 1.319 175.949 174.600 0.051 0.000 1.019 167 S CA 3.099 61.320 58.200 0.035 0.000 0.982 167 S CB -0.116 63.105 63.200 0.035 0.000 0.789 167 S HN 0.079 8.391 8.310 0.024 0.012 0.490 168 V N -1.696 118.261 119.914 0.071 0.000 3.085 168 V HA 0.035 4.182 4.120 0.046 0.000 0.245 168 V C 1.741 177.845 176.094 0.016 0.000 1.114 168 V CA 1.849 64.188 62.300 0.064 0.000 1.108 168 V CB 0.704 32.618 31.823 0.152 0.000 0.798 168 V HN -0.521 7.567 8.190 0.076 0.148 0.471 169 G N 0.607 109.420 108.800 0.023 0.000 2.432 169 G HA2 -0.340 3.616 3.960 -0.006 0.000 0.219 169 G HA3 -0.340 3.626 3.960 0.010 0.000 0.219 169 G C 0.736 175.633 174.900 -0.005 0.000 1.135 169 G CA 2.511 47.614 45.100 0.004 0.000 0.767 169 G HN 0.474 8.606 8.290 0.040 0.182 0.550 170 S N -0.779 114.921 115.700 0.000 0.000 2.469 170 S HA -0.314 4.153 4.470 -0.006 0.000 0.238 170 S C 0.864 175.457 174.600 -0.012 0.000 0.998 170 S CA 2.329 60.526 58.200 -0.004 0.000 0.957 170 S CB -0.403 62.798 63.200 0.001 0.000 0.764 170 S HN -0.208 8.091 8.310 0.009 0.016 0.514 171 S N 0.499 116.188 115.700 -0.018 0.000 2.515 171 S HA -0.061 4.395 4.470 -0.024 0.000 0.231 171 S C 0.497 175.076 174.600 -0.035 0.000 0.987 171 S CA 0.771 58.954 58.200 -0.030 0.000 0.936 171 S CB 0.607 63.779 63.200 -0.046 0.000 0.766 171 S HN -0.376 7.752 8.310 -0.015 0.174 0.528 172 S N 2.455 118.137 115.700 -0.031 0.000 2.519 172 S HA -0.153 4.443 4.470 -0.037 -0.149 0.310 172 S C -0.084 174.501 174.600 -0.024 0.000 1.201 172 S CA 1.170 59.352 58.200 -0.030 0.000 1.179 172 S CB -0.312 62.872 63.200 -0.027 0.000 1.104 172 S HN -0.539 7.577 8.310 -0.026 0.178 0.527 173 S N 5.071 120.757 115.700 -0.024 0.000 2.748 173 S HA 0.117 4.577 4.470 -0.016 0.000 0.299 173 S C 0.499 175.091 174.600 -0.013 0.000 1.119 173 S CA -1.523 56.666 58.200 -0.018 0.000 0.997 173 S CB 1.358 64.547 63.200 -0.019 0.000 1.223 173 S HN -0.151 8.142 8.310 -0.029 0.000 0.541 174 S N 0.837 116.532 115.700 -0.009 0.000 2.754 174 S HA 0.112 4.582 4.470 0.001 0.000 0.223 174 S C -0.147 174.452 174.600 -0.001 0.000 0.951 174 S CA 0.537 58.736 58.200 -0.002 0.000 0.954 174 S CB 0.292 63.491 63.200 -0.000 0.000 0.780 174 S HN 0.177 8.481 8.310 -0.010 0.000 0.509 175 S N 2.825 118.520 115.700 -0.008 0.000 3.455 175 S HA -0.010 4.455 4.470 -0.008 0.000 0.288 175 S C -0.937 173.659 174.600 -0.006 0.000 1.231 175 S CA 0.607 58.801 58.200 -0.010 0.000 1.031 175 S CB -0.807 62.382 63.200 -0.019 0.000 1.570 175 S HN -0.165 8.018 8.310 -0.012 0.119 0.519 176 S N 4.488 120.188 115.700 0.001 0.000 2.554 176 S HA 0.199 4.673 4.470 0.007 0.000 0.278 176 S C 0.133 174.733 174.600 0.000 0.000 1.242 176 S CA -0.130 58.074 58.200 0.006 0.000 1.051 176 S CB 1.213 64.424 63.200 0.018 0.000 0.986 176 S HN -0.423 7.863 8.310 0.003 0.025 0.502 177 G N 1.776 110.576 108.800 -0.001 0.000 2.471 177 G HA2 0.216 4.172 3.960 -0.007 0.000 0.332 177 G HA3 0.216 4.171 3.960 -0.008 0.000 0.332 177 G C -0.239 174.658 174.900 -0.005 0.000 1.176 177 G CA -0.962 44.135 45.100 -0.005 0.000 0.949 177 G HN 0.267 8.557 8.290 0.001 0.000 0.488 178 S N 1.214 116.910 115.700 -0.007 0.000 3.829 178 S HA -0.039 4.427 4.470 -0.007 0.000 0.250 178 S C -0.599 173.995 174.600 -0.010 0.000 1.263 178 S CA 0.481 58.676 58.200 -0.008 0.000 0.955 178 S CB -1.043 62.153 63.200 -0.008 0.000 1.611 178 S HN 0.199 8.504 8.310 -0.007 0.000 0.483 179 S N 4.163 119.856 115.700 -0.011 0.000 2.571 179 S HA 0.260 4.722 4.470 -0.014 0.000 0.284 179 S C -1.468 173.120 174.600 -0.020 0.000 1.128 179 S CA -0.248 57.943 58.200 -0.014 0.000 0.970 179 S CB 1.941 65.136 63.200 -0.010 0.000 1.039 179 S HN -0.301 7.974 8.310 -0.009 0.029 0.485 180 S N 4.340 120.025 115.700 -0.025 0.000 2.572 180 S HA 0.193 4.638 4.470 -0.041 0.000 0.274 180 S C -1.009 173.566 174.600 -0.041 0.000 1.150 180 S CA 0.683 58.862 58.200 -0.035 0.000 0.944 180 S CB 0.853 64.035 63.200 -0.030 0.000 1.071 180 S HN -0.012 8.284 8.310 -0.023 0.000 0.479 181 L N 5.319 126.509 121.223 -0.054 0.000 2.333 181 L HA 0.441 4.733 4.340 -0.080 0.000 0.269 181 L C -0.771 176.048 176.870 -0.085 0.000 1.010 181 L CA -0.071 54.722 54.840 -0.079 0.000 0.818 181 L CB 1.524 43.530 42.059 -0.089 0.000 1.306 181 L HN 0.202 8.399 8.230 -0.055 0.000 0.430 182 E N 0.540 120.666 120.200 -0.124 0.000 2.481 182 E HA 0.121 4.420 4.350 -0.084 0.000 0.301 182 E C -1.093 175.417 176.600 -0.149 0.000 0.948 182 E CA -0.033 56.308 56.400 -0.098 0.000 0.804 182 E CB 2.061 31.750 29.700 -0.019 0.000 1.265 182 E HN 0.147 8.411 8.360 -0.159 0.000 0.406 183 H N 7.091 126.106 119.070 -0.092 0.000 3.092 183 H HA 0.066 4.580 4.556 -0.072 0.000 0.263 183 H C -0.843 174.275 175.328 -0.350 0.000 1.611 183 H CA -0.363 55.587 56.048 -0.164 0.000 1.457 183 H CB -0.472 29.190 29.762 -0.166 0.000 1.731 183 H HN 0.373 8.626 8.280 -0.045 0.000 0.532 184 H N 4.124 123.121 119.070 -0.123 0.000 3.138 184 H HA -0.151 4.339 4.556 -0.111 0.000 0.275 184 H C -0.002 175.295 175.328 -0.051 0.000 0.997 184 H CA 0.365 56.358 56.048 -0.091 0.000 1.460 184 H CB 0.083 29.846 29.762 0.001 0.000 1.524 184 H HN -0.170 8.154 8.280 0.116 0.026 0.532 185 H N 6.150 125.270 119.070 0.083 0.000 2.848 185 H HA 0.012 4.674 4.556 0.177 0.000 0.317 185 H C 0.099 175.613 175.328 0.310 0.000 1.046 185 H CA -0.530 55.617 56.048 0.166 0.000 1.470 185 H CB 0.680 30.490 29.762 0.081 0.000 1.483 185 H HN 0.251 8.381 8.280 -0.249 0.000 0.548 186 H N 4.156 123.393 119.070 0.278 0.000 2.928 186 H HA -0.094 4.528 4.556 0.111 0.000 0.338 186 H C -0.848 174.618 175.328 0.229 0.000 1.047 186 H CA 0.947 57.100 56.048 0.175 0.000 1.435 186 H CB 0.350 30.167 29.762 0.092 0.000 1.428 186 H HN 0.286 8.812 8.280 0.410 0.000 0.590 187 H N 3.442 122.472 119.070 -0.066 0.000 3.224 187 H HA 0.132 4.777 4.556 0.149 0.000 0.331 187 H C -1.076 174.321 175.328 0.115 0.000 1.002 187 H CA -0.459 55.643 56.048 0.089 0.000 1.473 187 H CB 0.244 30.086 29.762 0.134 0.000 1.830 187 H HN 0.519 8.297 8.280 -0.837 0.000 0.485 188 H N 0.000 119.094 119.070 0.040 0.000 2.539 188 H HA 0.000 4.607 4.556 0.085 0.000 0.296 188 H CA 0.000 56.054 56.048 0.009 0.000 1.023 188 H CB 0.000 29.760 29.762 -0.003 0.000 1.292 188 H HN 0.000 8.312 8.280 0.054 0.000 0.496