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 1utp_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcGYL EGKDSCQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGAQKNKP GVYTKVcNYV SWIKQTIASN 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 16 I HA 0.000 4.175 4.170 0.009 0.000 0.288 16 I C 0.000 176.102 176.117 -0.026 0.000 1.063 16 I CA 0.000 61.288 61.300 -0.020 0.000 1.566 16 I CB 0.000 37.957 38.000 -0.072 0.000 1.214 17 V N 6.324 126.236 119.914 -0.003 0.000 2.427 17 V HA 0.260 4.368 4.120 -0.020 0.000 0.286 17 V C 0.618 176.715 176.094 0.005 0.000 1.034 17 V CA -1.561 60.735 62.300 -0.006 0.000 0.893 17 V CB 0.704 32.528 31.823 0.002 0.000 0.982 17 V HN 0.670 8.870 8.190 0.016 0.000 0.452 18 G N 6.447 115.244 108.800 -0.004 0.000 2.143 18 G HA2 -0.385 3.746 3.960 -0.010 0.000 0.248 18 G HA3 -0.385 3.571 3.960 -0.006 0.000 0.248 18 G C -0.878 174.034 174.900 0.020 0.000 0.991 18 G CA 0.410 45.508 45.100 -0.002 0.000 0.689 18 G HN 0.583 8.867 8.290 -0.010 0.000 0.522 19 G N -1.015 107.794 108.800 0.014 0.000 2.641 19 G HA2 0.568 4.613 3.960 -0.067 0.000 0.239 19 G HA3 0.568 4.586 3.960 0.096 0.000 0.239 19 G C -1.260 173.697 174.900 0.095 0.000 1.402 19 G CA -1.251 43.864 45.100 0.026 0.000 1.046 19 G HN -0.702 7.537 8.290 -0.007 0.046 0.565 20 Y N -6.047 114.232 120.300 -0.035 0.000 2.581 20 Y HA 0.382 4.912 4.550 -0.033 0.000 0.345 20 Y C -1.494 174.376 175.900 -0.049 0.000 1.036 20 Y CA -2.872 55.206 58.100 -0.036 0.000 1.042 20 Y CB 1.485 39.927 38.460 -0.030 0.000 1.289 20 Y HN 0.265 8.303 8.280 -0.403 0.000 0.471 21 T N 3.253 117.851 114.554 0.073 0.000 2.793 21 T HA -0.062 4.365 4.350 -0.088 -0.130 0.289 21 T C 0.112 174.830 174.700 0.030 0.000 0.956 21 T CA 1.871 63.968 62.100 -0.003 0.000 1.177 21 T CB -0.117 68.774 68.868 0.039 0.000 0.897 21 T HN 0.169 8.491 8.240 0.136 0.000 0.533 22 c N 5.904 124.429 118.600 -0.124 0.000 2.429 22 c HA -0.165 4.391 4.570 -0.022 0.000 0.277 22 c C 0.201 174.312 174.090 0.034 0.000 1.262 22 c CA 1.165 57.451 56.329 -0.072 0.000 1.733 22 c CB -0.135 42.259 42.510 -0.193 0.000 2.010 22 c HN 0.331 8.443 8.230 -0.197 0.000 0.483 23 G N -2.097 106.705 108.800 0.003 0.000 2.784 23 G HA2 -0.281 3.696 3.960 0.028 0.000 0.686 23 G HA3 -0.281 3.692 3.960 0.021 0.000 0.686 23 G C -1.920 172.979 174.900 -0.003 0.000 1.156 23 G CA -0.723 44.386 45.100 0.015 0.000 0.757 23 G HN -0.509 7.739 8.290 -0.020 0.031 0.642 24 A N 4.350 127.177 122.820 0.012 0.000 2.548 24 A HA -0.206 4.274 4.320 0.025 -0.146 0.247 24 A C -0.178 177.410 177.584 0.006 0.000 1.067 24 A CA 1.181 53.229 52.037 0.018 0.000 0.757 24 A CB -0.075 18.942 19.000 0.029 0.000 0.996 24 A HN 0.284 8.445 8.150 0.018 0.000 0.504 25 N N -1.870 116.830 118.700 -0.000 0.000 2.800 25 N HA -0.306 4.425 4.740 -0.014 0.000 0.250 25 N C 0.739 176.229 175.510 -0.034 0.000 1.078 25 N CA 1.620 54.663 53.050 -0.011 0.000 0.804 25 N CB -1.312 37.180 38.487 0.008 0.000 1.135 25 N HN 0.405 8.789 8.380 0.006 0.000 0.565 26 T N -3.547 110.978 114.554 -0.047 0.000 3.085 26 T HA -0.065 4.273 4.350 -0.020 0.000 0.263 26 T C -0.085 174.556 174.700 -0.099 0.000 1.127 26 T CA 2.434 64.507 62.100 -0.044 0.000 1.103 26 T CB 0.324 69.182 68.868 -0.017 0.000 0.921 26 T HN -0.319 7.836 8.240 -0.047 0.057 0.510 27 V N 3.022 122.813 119.914 -0.205 0.000 2.271 27 V HA 0.438 4.280 4.120 -0.463 0.000 0.259 27 V C -1.473 174.312 176.094 -0.516 0.000 1.030 27 V CA -3.853 58.172 62.300 -0.459 0.000 0.957 27 V CB -0.433 31.088 31.823 -0.503 0.000 1.186 27 V HN -0.363 7.668 8.190 -0.181 0.051 0.471 28 P HA 0.106 4.476 4.420 -0.082 0.000 0.230 28 P C 0.276 177.547 177.300 -0.047 0.000 1.158 28 P CA 1.471 64.507 63.100 -0.108 0.000 0.769 28 P CB -0.121 31.583 31.700 0.007 0.000 0.807 29 Y N -5.424 114.904 120.300 0.046 0.000 2.511 29 Y HA 0.426 5.166 4.550 0.060 -0.154 0.279 29 Y C -0.347 175.594 175.900 0.068 0.000 1.157 29 Y CA -3.053 55.080 58.100 0.055 0.000 1.300 29 Y CB -1.353 37.135 38.460 0.046 0.000 1.052 29 Y HN -0.442 7.474 8.280 -0.527 0.048 0.529 30 Q N 2.820 122.492 119.800 -0.213 0.000 2.297 30 Q HA 0.072 4.576 4.340 0.073 -0.120 0.267 30 Q C -0.266 175.825 176.000 0.151 0.000 1.006 30 Q CA 0.154 55.939 55.803 -0.030 0.000 0.896 30 Q CB 0.627 29.246 28.738 -0.198 0.000 1.186 30 Q HN -0.577 7.246 8.270 -0.477 0.160 0.392 31 V N 2.276 122.318 119.914 0.212 0.000 2.919 31 V HA 0.656 5.011 4.120 0.221 -0.102 0.316 31 V C -2.002 174.264 176.094 0.286 0.000 1.077 31 V CA -3.329 59.099 62.300 0.212 0.000 0.977 31 V CB 3.076 34.971 31.823 0.121 0.000 1.039 31 V HN 0.195 8.506 8.190 0.201 0.000 0.441 32 S N 2.693 118.470 115.700 0.129 0.000 2.437 32 S HA 0.434 5.122 4.470 0.175 -0.113 0.305 32 S C -0.704 173.797 174.600 -0.164 0.000 1.109 32 S CA -1.704 56.497 58.200 0.001 0.000 1.099 32 S CB 1.102 64.100 63.200 -0.337 0.000 1.004 32 S HN -0.047 8.308 8.310 0.076 0.000 0.475 33 L N 7.984 128.985 121.223 -0.370 0.000 2.290 33 L HA 0.483 4.741 4.340 -0.340 -0.122 0.284 33 L C -1.090 175.394 176.870 -0.643 0.000 1.078 33 L CA -0.524 53.972 54.840 -0.573 0.000 0.815 33 L CB 0.398 41.915 42.059 -0.902 0.000 1.162 33 L HN 0.561 8.551 8.230 -0.399 0.000 0.435 38 G N 0.632 109.134 108.800 -0.496 0.000 2.201 38 G HA2 -0.207 3.672 3.960 -0.134 0.000 0.212 38 G HA3 -0.207 3.657 3.960 -0.159 0.000 0.212 38 G C -1.796 173.049 174.900 -0.092 0.000 0.994 38 G CA 0.248 45.203 45.100 -0.241 0.000 0.644 38 G HN 0.105 8.439 8.290 -0.404 -0.287 0.508 39 Y N -6.887 113.385 120.300 -0.047 0.000 2.620 39 Y HA 0.215 4.731 4.550 -0.058 0.000 0.331 39 Y C -2.368 173.537 175.900 0.008 0.000 1.173 39 Y CA -3.365 54.715 58.100 -0.033 0.000 1.076 39 Y CB 0.781 39.222 38.460 -0.032 0.000 1.336 39 Y HN -1.268 6.643 8.280 -0.723 -0.064 0.459 40 H N 2.940 122.021 119.070 0.019 0.000 2.964 40 H HA -0.170 4.430 4.556 -0.192 -0.159 0.328 40 H C -0.286 175.149 175.328 0.178 0.000 1.030 40 H CA 0.579 56.585 56.048 -0.069 0.000 1.445 40 H CB 0.199 29.846 29.762 -0.191 0.000 1.449 40 H HN 0.387 8.777 8.280 0.184 0.000 0.581 41 F N 2.395 121.982 119.950 -0.604 0.000 2.876 41 F HA 0.328 4.756 4.527 -0.166 0.000 0.344 41 F C -1.485 174.071 175.800 -0.405 0.000 1.029 41 F CA -0.667 57.139 58.000 -0.323 0.000 1.154 41 F CB 1.621 40.591 39.000 -0.049 0.000 1.040 41 F HN -0.002 7.741 8.300 -0.928 0.000 0.576 42 c N -1.184 116.716 118.600 -1.166 0.000 3.307 42 c HA 0.301 4.780 4.570 -0.238 -0.052 0.333 42 c C -1.460 172.422 174.090 -0.347 0.000 1.291 42 c CA -0.087 55.909 56.329 -0.555 0.000 1.273 42 c CB 4.011 46.236 42.510 -0.475 0.000 1.580 42 c HN -0.823 6.462 8.230 -1.576 0.000 0.481 43 G N -0.638 108.176 108.800 0.023 0.000 2.535 43 G HA2 0.681 4.778 3.960 0.228 0.000 0.303 43 G HA3 0.681 4.953 3.960 0.249 -0.162 0.303 43 G C -2.077 172.847 174.900 0.040 0.000 1.237 43 G CA -1.252 43.942 45.100 0.156 0.000 0.986 43 G HN 0.346 8.669 8.290 0.055 0.000 0.494 44 G N -3.637 105.225 108.800 0.103 0.000 2.550 44 G HA2 0.340 4.338 3.960 0.063 0.000 0.293 44 G HA3 0.340 4.628 3.960 0.082 -0.279 0.293 44 G C -2.570 172.421 174.900 0.151 0.000 1.402 44 G CA 0.264 45.420 45.100 0.092 0.000 0.784 44 G HN -0.628 7.758 8.290 0.160 0.000 0.482 45 S N -1.045 114.748 115.700 0.155 0.000 2.557 45 S HA 0.796 5.628 4.470 0.271 -0.199 0.291 45 S C -1.413 173.291 174.600 0.174 0.000 1.116 45 S CA -0.284 58.040 58.200 0.206 0.000 0.992 45 S CB 3.304 66.612 63.200 0.179 0.000 1.028 45 S HN 0.247 8.636 8.310 0.132 0.000 0.484 46 L N 5.738 127.080 121.223 0.198 0.000 2.369 46 L HA 0.225 4.773 4.340 0.151 -0.117 0.279 46 L C -0.405 176.550 176.870 0.142 0.000 1.108 46 L CA 0.021 54.959 54.840 0.163 0.000 0.852 46 L CB 1.168 43.322 42.059 0.159 0.000 1.169 46 L HN 0.177 8.556 8.230 0.248 0.000 0.452 47 I N 0.473 121.123 120.570 0.133 0.000 4.070 47 I HA 0.424 4.772 4.170 0.067 -0.138 0.328 47 I C -1.137 175.038 176.117 0.096 0.000 1.298 47 I CA -0.525 60.830 61.300 0.092 0.000 1.173 47 I CB 0.931 38.972 38.000 0.069 0.000 1.051 47 I HN 0.207 8.512 8.210 0.159 0.000 0.409 48 N N -1.957 116.827 118.700 0.139 0.000 3.364 48 N HA 0.054 4.851 4.740 0.095 0.000 0.294 48 N C 0.068 175.654 175.510 0.126 0.000 1.562 48 N CA -0.508 52.617 53.050 0.124 0.000 0.862 48 N CB 0.830 39.392 38.487 0.125 0.000 1.691 48 N HN -0.850 7.634 8.380 0.172 0.000 0.572 49 S N -3.176 112.584 115.700 0.101 0.000 2.474 49 S HA -0.171 4.338 4.470 0.064 0.000 0.235 49 S C 0.431 175.055 174.600 0.040 0.000 0.997 49 S CA 2.519 60.760 58.200 0.068 0.000 0.949 49 S CB -0.335 62.894 63.200 0.049 0.000 0.766 49 S HN 0.441 8.809 8.310 0.097 0.000 0.517 50 Q N -4.469 115.355 119.800 0.040 0.000 2.139 50 Q HA 0.285 4.553 4.340 -0.120 0.000 0.219 50 Q C -1.199 174.635 176.000 -0.276 0.000 0.805 50 Q CA -1.000 54.725 55.803 -0.129 0.000 1.024 50 Q CB 0.519 29.131 28.738 -0.210 0.000 1.163 50 Q HN 0.078 8.419 8.270 0.119 0.000 0.485 51 W N -1.053 120.250 121.300 0.005 0.000 2.998 51 W HA 0.644 5.490 4.660 -0.001 -0.187 0.335 51 W C -1.822 174.706 176.519 0.015 0.000 1.110 51 W CA -0.837 56.507 57.345 -0.000 0.000 1.230 51 W CB 3.913 33.360 29.460 -0.021 0.000 1.405 51 W HN -0.576 7.735 8.180 0.218 0.000 0.493 52 V N 1.812 121.882 119.914 0.260 0.000 2.628 52 V HA 0.841 5.245 4.120 0.171 -0.181 0.306 52 V C -1.994 174.216 176.094 0.193 0.000 1.045 52 V CA -1.926 60.483 62.300 0.182 0.000 0.905 52 V CB 3.772 35.661 31.823 0.109 0.000 0.997 52 V HN 0.730 9.077 8.190 0.261 0.000 0.436 53 V N 6.035 126.040 119.914 0.151 0.000 2.555 53 V HA 0.759 5.298 4.120 0.156 -0.326 0.302 53 V C -2.309 173.848 176.094 0.106 0.000 1.038 53 V CA -2.886 59.497 62.300 0.138 0.000 0.887 53 V CB 2.960 34.861 31.823 0.129 0.000 0.991 53 V HN 0.491 8.767 8.190 0.142 0.000 0.434 54 S N 8.274 124.024 115.700 0.084 0.000 2.911 54 S HA 0.639 5.320 4.470 0.040 -0.187 0.319 54 S C -1.942 172.653 174.600 -0.007 0.000 1.154 54 S CA -1.813 56.407 58.200 0.032 0.000 0.857 54 S CB 3.323 66.524 63.200 0.001 0.000 1.279 54 S HN 0.323 8.693 8.310 0.101 0.000 0.593 55 A N -0.056 122.713 122.820 -0.086 0.000 2.331 55 A HA 0.425 4.840 4.320 -0.101 -0.156 0.283 55 A C 1.090 178.541 177.584 -0.222 0.000 1.142 55 A CA -1.070 50.872 52.037 -0.158 0.000 0.812 55 A CB 1.133 19.962 19.000 -0.284 0.000 1.074 55 A HN 0.407 8.493 8.150 -0.106 0.000 0.497 56 A N 5.374 128.005 122.820 -0.315 0.000 1.978 56 A HA -0.285 3.857 4.320 -0.297 0.000 0.220 56 A C 1.371 178.715 177.584 -0.401 0.000 1.170 56 A CA 2.917 54.640 52.037 -0.525 0.000 0.636 56 A CB -0.573 17.655 19.000 -1.287 0.000 0.810 56 A HN 0.638 8.628 8.150 -0.302 -0.021 0.448 57 H N -4.515 114.425 119.070 -0.216 0.000 2.546 57 H HA -0.087 4.532 4.556 0.106 0.000 0.277 57 H C 0.321 175.713 175.328 0.107 0.000 1.004 57 H CA 1.736 57.814 56.048 0.050 0.000 1.231 57 H CB -1.124 28.726 29.762 0.146 0.000 1.382 57 H HN -0.093 8.329 8.280 -0.187 -0.255 0.580 58 c N -1.754 116.708 118.600 -0.229 0.000 2.626 58 c HA -0.039 4.590 4.570 0.099 0.000 0.266 58 c C -0.377 173.800 174.090 0.145 0.000 1.317 58 c CA 0.488 56.824 56.329 0.011 0.000 1.716 58 c CB -1.956 40.515 42.510 -0.065 0.000 1.819 58 c HN -0.517 7.337 8.230 -0.354 0.164 0.578 59 Y N 3.046 123.353 120.300 0.012 0.000 2.810 59 Y HA -0.316 4.258 4.550 0.039 0.000 0.332 59 Y C -0.897 175.005 175.900 0.002 0.000 1.243 59 Y CA 1.856 59.969 58.100 0.022 0.000 1.537 59 Y CB 0.319 38.782 38.460 0.004 0.000 1.265 59 Y HN -0.615 7.594 8.280 0.167 0.171 0.572 60 K N 5.543 125.318 120.400 -1.042 0.000 2.607 60 K HA 0.119 3.619 4.320 -1.366 0.000 0.287 60 K C -2.103 174.013 176.600 -0.806 0.000 0.996 60 K CA -1.372 54.272 56.287 -1.072 0.000 0.876 60 K CB 1.752 33.855 32.500 -0.660 0.000 1.496 60 K HN -0.063 7.744 8.250 -0.739 0.000 0.415 61 S N -0.857 114.518 115.700 -0.541 0.000 2.585 61 S HA 0.025 4.384 4.470 -0.185 0.000 0.273 61 S C 1.129 175.601 174.600 -0.215 0.000 1.339 61 S CA 1.056 59.107 58.200 -0.248 0.000 1.028 61 S CB -0.137 62.986 63.200 -0.130 0.000 0.906 61 S HN 0.093 8.078 8.310 -0.541 0.000 0.528 62 G N 3.983 112.701 108.800 -0.136 0.000 2.225 62 G HA2 -0.242 3.635 3.960 -0.138 0.000 0.264 62 G HA3 -0.242 3.661 3.960 -0.095 0.000 0.264 62 G C -1.117 173.710 174.900 -0.123 0.000 1.060 62 G CA 0.138 45.164 45.100 -0.124 0.000 0.833 62 G HN 0.261 8.489 8.290 -0.104 0.000 0.498 63 I N -0.713 119.808 120.570 -0.082 0.000 2.395 63 I HA -0.030 4.143 4.170 0.005 0.000 0.289 63 I C -1.643 174.443 176.117 -0.051 0.000 1.023 63 I CA -0.393 60.894 61.300 -0.022 0.000 1.350 63 I CB 0.641 38.666 38.000 0.043 0.000 1.409 63 I HN -0.380 7.784 8.210 -0.078 0.000 0.507 64 Q N 7.282 127.036 119.800 -0.077 0.000 2.307 64 Q HA 0.327 4.622 4.340 -0.074 0.000 0.262 64 Q C -1.394 174.539 176.000 -0.112 0.000 0.961 64 Q CA -1.339 54.404 55.803 -0.101 0.000 0.882 64 Q CB 2.908 31.552 28.738 -0.157 0.000 1.264 64 Q HN 0.397 8.620 8.270 -0.078 0.000 0.446 65 V N 7.335 127.208 119.914 -0.070 0.000 2.498 65 V HA 0.049 4.120 4.120 -0.082 0.000 0.279 65 V C -0.970 175.113 176.094 -0.018 0.000 1.048 65 V CA -0.074 62.194 62.300 -0.053 0.000 0.967 65 V CB 0.156 31.968 31.823 -0.018 0.000 0.988 65 V HN 0.524 8.684 8.190 -0.050 0.000 0.473 66 R N 6.669 127.150 120.500 -0.031 0.000 2.337 66 R HA 0.577 5.218 4.340 0.227 -0.165 0.319 66 R C -0.816 175.551 176.300 0.112 0.000 0.954 66 R CA -1.306 54.833 56.100 0.064 0.000 0.840 66 R CB 1.248 31.466 30.300 -0.137 0.000 1.164 66 R HN 0.332 8.565 8.270 -0.063 0.000 0.472 70 E N -0.292 120.016 120.200 0.180 0.000 2.301 70 E HA 0.041 4.486 4.350 0.157 0.000 0.275 70 E C -1.642 175.145 176.600 0.311 0.000 1.030 70 E CA 0.543 57.072 56.400 0.214 0.000 0.852 70 E CB 1.027 30.808 29.700 0.135 0.000 1.060 70 E HN -0.589 7.821 8.360 0.202 0.071 0.401 71 D N 2.853 123.406 120.400 0.255 0.000 3.074 71 D HA 0.096 4.944 4.640 0.346 0.000 0.227 71 D C -0.784 175.723 176.300 0.345 0.000 1.553 71 D CA 0.907 55.077 54.000 0.283 0.000 1.347 71 D CB 2.403 43.286 40.800 0.139 0.000 1.021 71 D HN 0.119 8.598 8.370 0.183 0.000 0.260 72 N N 0.955 119.768 118.700 0.188 0.000 2.416 72 N HA 0.028 5.006 4.740 0.195 -0.121 0.265 72 N C 2.171 177.704 175.510 0.038 0.000 1.195 72 N CA 0.053 53.187 53.050 0.140 0.000 0.943 72 N CB 0.331 38.871 38.487 0.088 0.000 1.115 72 N HN -0.439 8.337 8.380 0.142 -0.311 0.481 73 I N 0.224 120.729 120.570 -0.108 0.000 3.176 73 I HA -0.099 4.074 4.170 -0.242 -0.148 0.275 73 I C -0.260 175.779 176.117 -0.130 0.000 1.298 73 I CA 1.380 62.515 61.300 -0.274 0.000 1.445 73 I CB -0.724 36.863 38.000 -0.689 0.000 1.075 73 I HN 0.111 8.267 8.210 -0.091 0.000 0.482 74 N N -2.590 116.081 118.700 -0.050 0.000 2.205 74 N HA 0.176 4.901 4.740 -0.025 0.000 0.201 74 N C -0.996 174.523 175.510 0.016 0.000 1.128 74 N CA -0.155 52.887 53.050 -0.014 0.000 0.867 74 N CB 1.937 40.424 38.487 -0.001 0.000 0.996 74 N HN -0.362 8.240 8.380 -0.030 -0.240 0.503 75 V N 0.455 120.385 119.914 0.028 0.000 2.709 75 V HA 0.051 4.193 4.120 0.036 0.000 0.308 75 V C -1.371 174.753 176.094 0.049 0.000 1.062 75 V CA -1.935 60.388 62.300 0.038 0.000 0.901 75 V CB 3.299 35.142 31.823 0.035 0.000 1.003 75 V HN -0.771 7.496 8.190 0.025 -0.063 0.425 76 V N 6.537 126.477 119.914 0.044 0.000 2.405 76 V HA -0.163 4.180 4.120 0.041 -0.198 0.264 76 V C 0.227 176.326 176.094 0.008 0.000 1.048 76 V CA 0.160 62.477 62.300 0.028 0.000 0.966 76 V CB -0.923 30.904 31.823 0.008 0.000 1.015 76 V HN 0.296 8.510 8.190 0.040 0.000 0.477 77 E N 8.666 128.870 120.200 0.007 0.000 2.447 77 E HA 0.094 4.450 4.350 0.009 0.000 0.204 77 E C 0.529 177.124 176.600 -0.008 0.000 0.977 77 E CA -0.033 56.372 56.400 0.008 0.000 0.950 77 E CB 0.832 30.548 29.700 0.026 0.000 0.975 77 E HN 0.369 9.198 8.360 0.010 -0.464 0.496 78 G N -1.338 107.444 108.800 -0.030 0.000 2.296 78 G HA2 -0.282 3.662 3.960 -0.028 0.000 0.188 78 G HA3 -0.282 3.646 3.960 -0.055 0.000 0.188 78 G C -0.160 174.712 174.900 -0.047 0.000 1.000 78 G CA 0.238 45.314 45.100 -0.041 0.000 0.672 78 G HN 0.074 8.631 8.290 -0.039 -0.290 0.483 79 N N -0.117 118.561 118.700 -0.036 0.000 2.187 79 N HA 0.087 4.805 4.740 -0.036 0.000 0.212 79 N C -1.436 174.048 175.510 -0.043 0.000 1.152 79 N CA -0.749 52.283 53.050 -0.029 0.000 0.872 79 N CB 0.880 39.366 38.487 -0.002 0.000 1.025 79 N HN 0.289 8.655 8.380 -0.024 0.000 0.514 80 E N 0.285 120.429 120.200 -0.094 0.000 2.383 80 E HA 0.164 4.934 4.350 -0.022 -0.434 0.264 80 E C -0.210 176.265 176.600 -0.208 0.000 1.050 80 E CA 0.684 57.002 56.400 -0.137 0.000 0.896 80 E CB 0.475 29.984 29.700 -0.318 0.000 0.982 80 E HN -0.207 8.087 8.360 -0.110 0.000 0.424 81 Q N 1.729 121.476 119.800 -0.088 0.000 2.292 81 Q HA 0.247 4.486 4.340 -0.168 0.000 0.270 81 Q C -1.623 174.472 176.000 0.160 0.000 1.024 81 Q CA -1.046 54.721 55.803 -0.060 0.000 0.768 81 Q CB 3.186 31.923 28.738 -0.002 0.000 1.250 81 Q HN 0.231 8.512 8.270 0.018 0.000 0.447 82 F N 3.414 123.347 119.950 -0.029 0.000 2.411 82 F HA 0.766 5.439 4.527 -0.042 -0.171 0.352 82 F C 0.308 176.085 175.800 -0.038 0.000 1.123 82 F CA -1.635 56.342 58.000 -0.038 0.000 1.044 82 F CB 1.816 40.791 39.000 -0.042 0.000 1.135 82 F HN 0.246 8.542 8.300 -0.006 0.000 0.461 83 I N 3.358 124.007 120.570 0.131 0.000 2.571 83 I HA 0.292 4.490 4.170 0.046 0.000 0.289 83 I C -0.992 175.126 176.117 0.002 0.000 1.115 83 I CA -1.445 59.883 61.300 0.046 0.000 1.045 83 I CB 4.098 42.109 38.000 0.019 0.000 1.238 83 I HN 0.624 8.906 8.210 0.119 0.000 0.424 84 S N 7.704 123.396 115.700 -0.014 0.000 2.572 84 S HA 0.038 4.595 4.470 -0.042 -0.112 0.279 84 S C 0.228 174.796 174.600 -0.053 0.000 1.341 84 S CA 0.876 59.054 58.200 -0.037 0.000 1.043 84 S CB 0.432 63.610 63.200 -0.036 0.000 0.887 84 S HN 0.502 8.809 8.310 -0.006 0.000 0.516 85 A N 4.178 126.964 122.820 -0.056 0.000 2.440 85 A HA 0.248 4.644 4.320 -0.093 -0.133 0.251 85 A C -0.100 177.441 177.584 -0.070 0.000 1.089 85 A CA 0.040 52.035 52.037 -0.070 0.000 0.779 85 A CB 0.829 19.803 19.000 -0.043 0.000 1.022 85 A HN -0.172 7.947 8.150 -0.051 0.000 0.492 86 S N 2.429 118.068 115.700 -0.102 0.000 2.475 86 S HA 0.127 4.559 4.470 -0.062 0.000 0.224 86 S C 0.400 174.962 174.600 -0.063 0.000 1.042 86 S CA 0.719 58.868 58.200 -0.086 0.000 0.935 86 S CB 1.310 64.440 63.200 -0.116 0.000 0.801 86 S HN 0.521 8.747 8.310 -0.140 0.000 0.509 87 K N 0.737 121.090 120.400 -0.077 0.000 2.543 87 K HA 0.287 4.619 4.320 0.020 0.000 0.255 87 K C -2.594 174.026 176.600 0.033 0.000 0.934 87 K CA 0.102 56.381 56.287 -0.013 0.000 0.810 87 K CB 2.817 35.308 32.500 -0.016 0.000 1.315 87 K HN -0.722 7.457 8.250 -0.118 0.000 0.433 88 S N 3.806 119.573 115.700 0.111 0.000 2.501 88 S HA 0.816 5.541 4.470 0.168 -0.154 0.301 88 S C -0.387 174.325 174.600 0.186 0.000 1.096 88 S CA -0.782 57.524 58.200 0.176 0.000 1.063 88 S CB 1.807 65.159 63.200 0.252 0.000 1.042 88 S HN 0.103 8.483 8.310 0.116 0.000 0.494 89 I N 4.636 125.339 120.570 0.222 0.000 2.493 89 I HA 0.315 4.588 4.170 0.171 0.000 0.279 89 I C -1.706 174.570 176.117 0.266 0.000 1.045 89 I CA -0.843 60.593 61.300 0.225 0.000 1.106 89 I CB 2.282 40.428 38.000 0.244 0.000 1.216 89 I HN 0.859 9.216 8.210 0.246 0.000 0.459 90 V N 7.206 127.206 119.914 0.145 0.000 2.715 90 V HA -0.218 3.956 4.120 0.090 0.000 0.299 90 V C 0.194 176.365 176.094 0.129 0.000 1.054 90 V CA 0.054 62.405 62.300 0.085 0.000 1.077 90 V CB 0.276 32.069 31.823 -0.051 0.000 0.972 90 V HN 0.224 8.462 8.190 0.080 0.000 0.484 91 H N 8.654 127.671 119.070 -0.087 0.000 3.064 91 H HA -0.076 4.118 4.556 -0.603 0.000 0.329 91 H C 0.005 175.239 175.328 -0.156 0.000 1.020 91 H CA 1.043 56.856 56.048 -0.392 0.000 1.402 91 H CB 1.501 30.887 29.762 -0.628 0.000 1.379 91 H HN -0.225 8.079 8.280 0.041 0.000 0.594 92 P HA -0.124 4.249 4.420 -0.078 0.000 0.218 92 P C -0.461 176.843 177.300 0.007 0.000 1.148 92 P CA 1.907 64.895 63.100 -0.187 0.000 0.822 92 P CB 0.271 31.829 31.700 -0.237 0.000 0.784 93 S N -3.163 112.672 115.700 0.225 0.000 2.575 93 S HA 0.138 4.667 4.470 0.099 0.000 0.237 93 S C -0.835 173.870 174.600 0.176 0.000 0.975 93 S CA -0.339 57.980 58.200 0.198 0.000 0.960 93 S CB -0.219 63.098 63.200 0.194 0.000 0.822 93 S HN -0.495 8.083 8.310 0.511 0.039 0.472 94 Y N 3.964 124.307 120.300 0.071 0.000 2.717 94 Y HA -0.323 4.391 4.550 -0.035 -0.185 0.330 94 Y C -0.573 175.319 175.900 -0.013 0.000 1.217 94 Y CA 0.970 59.068 58.100 -0.002 0.000 1.506 94 Y CB 0.787 39.246 38.460 -0.002 0.000 1.268 94 Y HN -0.824 7.482 8.280 0.322 0.167 0.561 95 N N 7.966 126.316 118.700 -0.584 0.000 2.518 95 N HA 0.222 4.657 4.740 -0.509 0.000 0.254 95 N C -0.485 174.489 175.510 -0.892 0.000 0.979 95 N CA -0.935 51.758 53.050 -0.595 0.000 0.930 95 N CB 2.226 40.547 38.487 -0.278 0.000 1.152 95 N HN -0.155 7.991 8.380 -0.390 0.000 0.505 96 S N 4.978 120.138 115.700 -0.899 0.000 2.481 96 S HA -0.021 4.036 4.470 -0.689 0.000 0.231 96 S C 1.119 175.540 174.600 -0.298 0.000 0.996 96 S CA 1.621 59.468 58.200 -0.588 0.000 0.942 96 S CB -0.380 62.672 63.200 -0.247 0.000 0.768 96 S HN 0.689 8.563 8.310 -0.727 0.000 0.520 97 N N 1.932 120.465 118.700 -0.278 0.000 2.135 97 N HA -0.102 4.527 4.740 -0.186 0.000 0.186 97 N C 1.613 176.968 175.510 -0.259 0.000 1.027 97 N CA 2.216 55.138 53.050 -0.214 0.000 0.849 97 N CB 0.390 38.776 38.487 -0.168 0.000 1.002 97 N HN 0.181 8.548 8.380 -0.303 -0.169 0.425 98 T N -4.503 109.887 114.554 -0.273 0.000 3.022 98 T HA 0.077 4.220 4.350 -0.345 0.000 0.250 98 T C 0.263 174.755 174.700 -0.346 0.000 1.060 98 T CA -0.217 61.703 62.100 -0.299 0.000 1.013 98 T CB 1.338 70.088 68.868 -0.195 0.000 0.982 98 T HN -0.527 7.791 8.240 -0.271 -0.241 0.508 99 L N -3.787 117.278 121.223 -0.264 0.000 4.429 99 L HA -0.511 3.939 4.340 0.080 -0.062 0.422 99 L C -1.654 175.253 176.870 0.062 0.000 1.149 99 L CA 0.638 55.442 54.840 -0.059 0.000 0.972 99 L CB -2.780 39.201 42.059 -0.130 0.000 2.059 99 L HN -0.278 7.778 8.230 -0.290 0.000 0.870 100 N N -0.762 117.928 118.700 -0.017 0.000 2.458 100 N HA -0.230 4.565 4.740 0.091 0.000 0.258 100 N C 0.034 175.599 175.510 0.092 0.000 1.219 100 N CA 1.108 54.186 53.050 0.047 0.000 0.902 100 N CB 0.867 39.355 38.487 0.001 0.000 1.076 100 N HN -0.663 7.592 8.380 -0.099 0.066 0.455 101 N N -1.244 117.501 118.700 0.076 0.000 2.756 101 N HA -0.476 4.167 4.740 -0.162 0.000 0.248 101 N C -1.385 174.087 175.510 -0.063 0.000 1.062 101 N CA 1.329 54.316 53.050 -0.105 0.000 0.696 101 N CB -1.537 36.810 38.487 -0.233 0.000 0.946 101 N HN 0.641 9.086 8.380 0.108 0.000 0.548 102 D N -0.948 119.463 120.400 0.019 0.000 2.551 102 D HA 0.047 4.659 4.640 -0.047 0.000 0.223 102 D C -1.736 174.464 176.300 -0.167 0.000 1.144 102 D CA -0.313 53.692 54.000 0.008 0.000 1.025 102 D CB -0.656 40.269 40.800 0.207 0.000 1.085 102 D HN -0.177 8.223 8.370 0.049 0.000 0.506 103 I N 2.433 122.832 120.570 -0.285 0.000 2.775 103 I HA 0.580 4.855 4.170 -0.125 -0.181 0.295 103 I C -3.070 173.009 176.117 -0.064 0.000 1.287 103 I CA -1.234 59.942 61.300 -0.206 0.000 1.029 103 I CB 3.801 41.575 38.000 -0.375 0.000 1.282 103 I HN -0.413 7.569 8.210 -0.318 0.036 0.426 104 M N 4.831 124.482 119.600 0.086 0.000 2.470 104 M HA 0.746 5.566 4.480 0.337 -0.138 0.285 104 M C -2.820 173.633 176.300 0.255 0.000 1.213 104 M CA -1.010 54.416 55.300 0.211 0.000 0.901 104 M CB 4.698 37.360 32.600 0.103 0.000 1.718 104 M HN 0.359 8.690 8.290 0.069 0.000 0.469 105 L N 0.667 122.072 121.223 0.303 0.000 2.325 105 L HA 0.783 5.430 4.340 0.253 -0.155 0.278 105 L C -1.218 175.845 176.870 0.322 0.000 1.023 105 L CA -1.406 53.602 54.840 0.280 0.000 0.811 105 L CB 3.236 45.388 42.059 0.154 0.000 1.249 105 L HN 0.324 8.770 8.230 0.360 0.000 0.431 106 I N 0.966 121.717 120.570 0.302 0.000 2.447 106 I HA 0.468 4.862 4.170 0.114 -0.155 0.287 106 I C -1.669 174.402 176.117 -0.078 0.000 1.023 106 I CA -1.196 60.179 61.300 0.126 0.000 1.083 106 I CB 2.616 40.657 38.000 0.070 0.000 1.245 106 I HN 0.718 9.128 8.210 0.334 0.000 0.434 107 K N 7.099 127.241 120.400 -0.429 0.000 2.172 107 K HA 0.600 4.362 4.320 -1.228 -0.179 0.276 107 K C -1.007 175.315 176.600 -0.464 0.000 1.013 107 K CA -1.803 53.916 56.287 -0.946 0.000 0.913 107 K CB 2.767 34.463 32.500 -1.340 0.000 1.055 107 K HN 0.496 8.573 8.250 -0.287 0.000 0.461 108 L N 5.998 126.971 121.223 -0.416 0.000 2.349 108 L HA -0.032 4.207 4.340 -0.168 0.000 0.275 108 L C 0.439 177.190 176.870 -0.198 0.000 1.115 108 L CA 0.445 55.152 54.840 -0.222 0.000 0.820 108 L CB 0.103 42.070 42.059 -0.153 0.000 1.135 108 L HN 0.414 8.221 8.230 -0.529 0.105 0.445 109 K N 2.204 122.528 120.400 -0.127 0.000 2.152 109 K HA -0.319 3.935 4.320 -0.109 0.000 0.206 109 K C -0.178 176.373 176.600 -0.082 0.000 1.048 109 K CA 2.283 58.512 56.287 -0.097 0.000 0.933 109 K CB 0.396 32.858 32.500 -0.064 0.000 0.721 109 K HN 0.445 8.631 8.250 -0.107 0.000 0.447 110 S N -4.794 110.862 115.700 -0.073 0.000 2.564 110 S HA 0.116 4.553 4.470 -0.055 0.000 0.274 110 S C -1.913 172.655 174.600 -0.053 0.000 1.124 110 S CA -1.399 56.769 58.200 -0.054 0.000 0.869 110 S CB 2.643 65.824 63.200 -0.033 0.000 1.105 110 S HN -0.670 7.567 8.310 -0.074 0.029 0.472 111 A N 1.440 124.237 122.820 -0.038 0.000 2.477 111 A HA -0.088 4.348 4.320 -0.036 -0.138 0.246 111 A C 0.023 177.600 177.584 -0.011 0.000 1.078 111 A CA 0.002 52.024 52.037 -0.025 0.000 0.770 111 A CB 0.518 19.514 19.000 -0.008 0.000 1.011 111 A HN 0.258 8.389 8.150 -0.033 0.000 0.494 112 A N 4.082 126.902 122.820 -0.000 0.000 2.445 112 A HA -0.072 4.345 4.320 0.008 -0.092 0.242 112 A C 0.058 177.650 177.584 0.014 0.000 1.075 112 A CA -0.045 51.999 52.037 0.012 0.000 0.777 112 A CB 0.911 19.928 19.000 0.028 0.000 1.013 112 A HN 0.184 8.333 8.150 -0.002 0.000 0.493 113 S N 2.153 117.859 115.700 0.010 0.000 2.422 113 S HA 0.022 4.498 4.470 0.010 0.000 0.283 113 S C -0.680 173.931 174.600 0.018 0.000 1.163 113 S CA 0.230 58.435 58.200 0.009 0.000 1.054 113 S CB -0.308 62.891 63.200 -0.000 0.000 0.967 113 S HN -0.032 8.601 8.310 0.006 -0.319 0.499 114 L N 7.968 129.205 121.223 0.023 0.000 2.331 114 L HA 0.151 4.642 4.340 0.036 -0.129 0.278 114 L C 0.022 176.907 176.870 0.026 0.000 1.106 114 L CA 0.099 54.957 54.840 0.031 0.000 0.824 114 L CB 0.589 42.670 42.059 0.037 0.000 1.142 114 L HN 0.322 8.565 8.230 0.022 0.000 0.443 115 N N 2.715 121.433 118.700 0.029 0.000 3.364 115 N HA 0.101 4.854 4.740 0.022 0.000 0.294 115 N C 0.051 175.578 175.510 0.029 0.000 1.562 115 N CA -0.761 52.303 53.050 0.024 0.000 0.862 115 N CB 0.777 39.273 38.487 0.015 0.000 1.691 115 N HN 0.108 8.508 8.380 0.034 0.000 0.572 116 S N -1.364 114.350 115.700 0.024 0.000 2.372 116 S HA -0.215 4.273 4.470 0.030 0.000 0.227 116 S C 0.958 175.574 174.600 0.027 0.000 1.044 116 S CA 2.814 61.029 58.200 0.026 0.000 1.050 116 S CB -0.312 62.899 63.200 0.019 0.000 0.901 116 S HN 0.260 8.582 8.310 0.020 0.000 0.447 117 R N -2.250 118.263 120.500 0.022 0.000 2.275 117 R HA -0.041 4.309 4.340 0.017 0.000 0.199 117 R C -1.057 175.261 176.300 0.029 0.000 0.989 117 R CA 0.988 57.100 56.100 0.021 0.000 1.016 117 R CB 0.978 31.288 30.300 0.017 0.000 0.918 117 R HN -0.469 7.973 8.270 0.019 -0.160 0.473 118 V N -1.815 118.122 119.914 0.037 0.000 2.462 118 V HA 0.350 4.668 4.120 0.056 -0.165 0.288 118 V C -2.226 173.907 176.094 0.065 0.000 1.020 118 V CA -1.767 60.564 62.300 0.052 0.000 0.857 118 V CB 1.667 33.518 31.823 0.045 0.000 1.013 118 V HN -0.615 7.569 8.190 0.035 0.027 0.431 119 A N 6.433 129.308 122.820 0.092 0.000 2.572 119 A HA 0.438 4.810 4.320 0.087 0.000 0.295 119 A C -3.005 174.671 177.584 0.154 0.000 1.072 119 A CA -1.268 50.834 52.037 0.108 0.000 0.691 119 A CB 3.055 22.122 19.000 0.111 0.000 1.291 119 A HN -0.148 8.063 8.150 0.101 0.000 0.404 120 S N -0.460 115.314 115.700 0.122 0.000 2.617 120 S HA 0.487 5.218 4.470 0.147 -0.173 0.269 120 S C -0.258 174.395 174.600 0.087 0.000 1.292 120 S CA -0.749 57.521 58.200 0.117 0.000 1.010 120 S CB 1.057 64.306 63.200 0.082 0.000 0.944 120 S HN -0.132 8.237 8.310 0.098 0.000 0.536 121 I N 1.722 122.299 120.570 0.012 0.000 2.412 121 I HA 0.236 4.321 4.170 -0.141 0.000 0.296 121 I C -0.677 175.382 176.117 -0.095 0.000 0.987 121 I CA -1.789 59.417 61.300 -0.155 0.000 1.180 121 I CB 3.607 41.291 38.000 -0.527 0.000 1.340 121 I HN 0.149 8.384 8.210 0.041 0.000 0.455 122 S N 8.473 124.119 115.700 -0.090 0.000 2.562 122 S HA 0.139 4.589 4.470 -0.034 0.000 0.281 122 S C -0.239 174.329 174.600 -0.053 0.000 1.333 122 S CA 0.517 58.684 58.200 -0.054 0.000 1.052 122 S CB 0.383 63.557 63.200 -0.043 0.000 0.884 122 S HN 0.466 8.714 8.310 -0.104 0.000 0.506 123 L N 3.317 124.525 121.223 -0.026 0.000 2.418 123 L HA 0.191 4.527 4.340 -0.006 0.000 0.265 123 L C -1.082 175.782 176.870 -0.010 0.000 1.143 123 L CA -2.041 52.794 54.840 -0.009 0.000 0.809 123 L CB 0.255 42.317 42.059 0.006 0.000 1.124 123 L HN 0.080 8.297 8.230 -0.022 0.000 0.456 124 P HA -0.036 4.373 4.420 -0.019 0.000 0.269 124 P C -1.075 176.222 177.300 -0.005 0.000 1.209 124 P CA 0.056 63.151 63.100 -0.007 0.000 0.776 124 P CB 0.255 31.956 31.700 0.000 0.000 0.876 128 c N 0.723 119.294 118.600 -0.049 0.000 2.649 128 c HA 0.055 4.580 4.570 -0.075 0.000 0.377 128 c C -0.012 174.017 174.090 -0.102 0.000 1.321 128 c CA -0.508 55.775 56.329 -0.076 0.000 2.368 128 c CB 0.504 42.969 42.510 -0.074 0.000 2.597 128 c HN 0.015 8.219 8.230 -0.044 0.000 0.678 129 A N 1.186 123.909 122.820 -0.161 0.000 2.282 129 A HA 0.086 4.328 4.320 -0.131 0.000 0.319 129 A C -1.069 176.406 177.584 -0.182 0.000 1.121 129 A CA -0.418 51.513 52.037 -0.177 0.000 0.836 129 A CB 1.607 20.465 19.000 -0.237 0.000 1.146 129 A HN 0.188 8.219 8.150 -0.198 0.000 0.494 133 G N 1.892 110.657 108.800 -0.058 0.000 2.241 133 G HA2 -0.351 3.585 3.960 -0.041 0.000 0.244 133 G HA3 -0.351 3.580 3.960 -0.049 0.000 0.244 133 G C -0.222 174.646 174.900 -0.054 0.000 0.998 133 G CA 0.046 45.116 45.100 -0.050 0.000 0.621 133 G HN 0.618 8.763 8.290 -0.061 0.108 0.519 134 T N 4.264 118.776 114.554 -0.071 0.000 2.916 134 T HA -0.141 4.177 4.350 -0.052 0.000 0.303 134 T C -0.660 174.002 174.700 -0.063 0.000 1.025 134 T CA 1.892 63.951 62.100 -0.068 0.000 1.142 134 T CB 0.507 69.320 68.868 -0.091 0.000 0.947 134 T HN -0.398 7.711 8.240 -0.083 0.081 0.544 135 Q N 3.791 123.568 119.800 -0.039 0.000 2.261 135 Q HA 0.102 4.544 4.340 -0.029 -0.120 0.252 135 Q C -0.626 175.362 176.000 -0.021 0.000 0.915 135 Q CA 0.135 55.925 55.803 -0.022 0.000 0.915 135 Q CB 1.222 29.963 28.738 0.005 0.000 1.204 135 Q HN 0.152 8.403 8.270 -0.032 0.000 0.421 136 c N 0.551 119.141 118.600 -0.016 0.000 2.971 136 c HA 0.587 5.272 4.570 -0.008 -0.120 0.310 136 c C -1.671 172.429 174.090 0.016 0.000 1.285 136 c CA -1.300 55.022 56.329 -0.012 0.000 1.593 136 c CB 4.278 46.764 42.510 -0.039 0.000 2.076 136 c HN 0.428 8.648 8.230 -0.015 0.000 0.472 137 L N 1.148 122.388 121.223 0.029 0.000 2.305 137 L HA 0.736 5.271 4.340 0.051 -0.164 0.284 137 L C -2.063 174.820 176.870 0.022 0.000 1.013 137 L CA -1.248 53.620 54.840 0.047 0.000 0.819 137 L CB 2.664 44.774 42.059 0.085 0.000 1.227 137 L HN 0.506 8.752 8.230 0.026 0.000 0.417 138 I N 7.615 128.180 120.570 -0.009 0.000 2.441 138 I HA 0.790 5.182 4.170 -0.002 -0.224 0.295 138 I C -1.418 174.665 176.117 -0.057 0.000 0.994 138 I CA -1.702 59.586 61.300 -0.020 0.000 1.144 138 I CB 2.069 40.053 38.000 -0.026 0.000 1.314 138 I HN 0.724 8.931 8.210 -0.006 0.000 0.445 139 S N 3.322 118.986 115.700 -0.061 0.000 2.588 139 S HA 0.970 5.461 4.470 -0.221 -0.153 0.275 139 S C -1.223 173.271 174.600 -0.177 0.000 1.130 139 S CA -1.541 56.551 58.200 -0.180 0.000 0.855 139 S CB 4.005 67.060 63.200 -0.243 0.000 1.116 139 S HN -0.203 8.100 8.310 -0.011 0.000 0.472 140 G N -0.335 108.270 108.800 -0.324 0.000 2.313 140 G HA2 0.241 4.320 3.960 -0.055 0.000 0.296 140 G HA3 0.241 3.994 3.960 -0.346 0.000 0.296 140 G C -2.190 172.488 174.900 -0.370 0.000 1.356 140 G CA 0.698 45.632 45.100 -0.277 0.000 0.833 140 G HN 0.066 8.112 8.290 -0.406 0.000 0.552 141 W N 0.695 121.953 121.300 -0.071 0.000 3.067 141 W HA 0.379 4.982 4.660 -0.096 0.000 0.417 141 W C -0.003 176.545 176.519 0.048 0.000 1.029 141 W CA -0.990 56.274 57.345 -0.135 0.000 1.992 141 W CB 0.303 29.474 29.460 -0.481 0.000 1.122 141 W HN 0.527 8.867 8.180 0.267 0.000 0.681 142 G N 0.869 109.833 108.800 0.273 0.000 2.653 142 G HA2 -0.083 4.115 3.960 0.246 0.000 0.265 142 G HA3 -0.083 4.234 3.960 0.490 -0.063 0.265 142 G C -0.898 174.058 174.900 0.093 0.000 1.237 142 G CA -0.661 44.622 45.100 0.306 0.000 0.946 142 G HN -0.376 8.244 8.290 0.189 -0.217 0.522 143 N N -0.270 118.344 118.700 -0.143 0.000 2.353 143 N HA -0.348 4.011 4.740 -0.924 -0.174 0.248 143 N C 0.689 176.069 175.510 -0.217 0.000 1.240 143 N CA 1.057 53.787 53.050 -0.533 0.000 0.862 143 N CB 0.652 38.839 38.487 -0.501 0.000 1.086 143 N HN -0.075 8.324 8.380 0.033 0.000 0.453 144 T N -1.881 112.551 114.554 -0.203 0.000 3.092 144 T HA 0.206 4.627 4.350 -0.076 -0.118 0.258 144 T C -0.031 174.619 174.700 -0.082 0.000 1.031 144 T CA 0.077 62.117 62.100 -0.101 0.000 0.925 144 T CB 1.007 69.833 68.868 -0.070 0.000 1.036 144 T HN 0.186 8.263 8.240 -0.271 0.000 0.544 145 K N 2.706 123.042 120.400 -0.106 0.000 2.207 145 K HA 0.328 4.621 4.320 -0.046 0.000 0.255 145 K C -0.635 175.939 176.600 -0.044 0.000 0.941 145 K CA -1.648 54.601 56.287 -0.064 0.000 0.825 145 K CB 1.974 34.435 32.500 -0.065 0.000 1.119 145 K HN -0.383 8.036 8.250 -0.157 -0.264 0.430 146 S N -0.091 115.597 115.700 -0.020 0.000 2.503 146 S HA 0.038 4.504 4.470 -0.005 0.000 0.215 146 S C 0.934 175.533 174.600 -0.003 0.000 1.003 146 S CA 0.731 58.928 58.200 -0.005 0.000 0.910 146 S CB 0.484 63.688 63.200 0.007 0.000 0.790 146 S HN 0.176 8.476 8.310 -0.017 0.000 0.514 147 S N 2.693 118.388 115.700 -0.008 0.000 3.965 147 S HA 0.198 4.669 4.470 0.001 0.000 0.195 147 S C 0.031 174.628 174.600 -0.006 0.000 1.449 147 S CA -0.187 58.011 58.200 -0.003 0.000 0.965 147 S CB -1.833 61.365 63.200 -0.003 0.000 1.459 147 S HN -0.005 8.267 8.310 -0.012 0.032 0.476 148 G N 4.563 113.361 108.800 -0.004 0.000 2.460 148 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.207 148 G HA3 -0.136 3.829 3.960 0.009 0.000 0.207 148 G C -1.818 173.072 174.900 -0.016 0.000 1.170 148 G CA -0.392 44.707 45.100 -0.001 0.000 1.151 148 G HN -0.500 7.733 8.290 -0.001 0.056 0.575 149 T N 1.625 116.170 114.554 -0.016 0.000 2.921 149 T HA 0.075 4.507 4.350 -0.128 -0.159 0.297 149 T C -1.619 173.043 174.700 -0.064 0.000 1.013 149 T CA -0.207 61.862 62.100 -0.051 0.000 0.990 149 T CB 1.867 70.776 68.868 0.068 0.000 1.023 149 T HN -0.051 8.188 8.240 -0.001 0.000 0.447 150 S N 7.085 122.664 115.700 -0.201 0.000 2.626 150 S HA 0.286 4.767 4.470 0.018 0.000 0.275 150 S C -2.536 171.925 174.600 -0.232 0.000 1.175 150 S CA 0.511 58.653 58.200 -0.097 0.000 0.982 150 S CB 1.548 64.722 63.200 -0.043 0.000 1.093 150 S HN 0.345 8.743 8.310 -0.360 -0.304 0.472 151 Y N 5.009 125.341 120.300 0.054 0.000 2.331 151 Y HA 0.272 4.869 4.550 0.078 0.000 0.338 151 Y C -1.306 174.636 175.900 0.070 0.000 0.992 151 Y CA -2.930 55.213 58.100 0.071 0.000 1.121 151 Y CB 1.058 39.567 38.460 0.081 0.000 1.184 151 Y HN 0.174 8.600 8.280 0.244 0.000 0.469 152 P HA 0.189 4.681 4.420 0.120 0.000 0.278 152 P C -1.343 176.087 177.300 0.216 0.000 1.258 152 P CA -0.786 62.408 63.100 0.157 0.000 0.811 152 P CB 1.656 33.419 31.700 0.105 0.000 1.063 153 D N -1.997 118.508 120.400 0.175 0.000 2.324 153 D HA -0.049 4.676 4.640 0.141 0.000 0.212 153 D C -1.145 175.333 176.300 0.296 0.000 0.984 153 D CA 1.094 55.198 54.000 0.172 0.000 0.885 153 D CB 1.153 42.014 40.800 0.101 0.000 0.996 153 D HN 0.349 8.801 8.370 0.138 0.000 0.505 154 V N -7.529 112.533 119.914 0.246 0.000 2.966 154 V HA 0.344 4.885 4.120 0.377 -0.195 0.317 154 V C -1.027 175.097 176.094 0.051 0.000 1.070 154 V CA -2.881 59.562 62.300 0.239 0.000 1.008 154 V CB 1.594 33.479 31.823 0.103 0.000 1.070 154 V HN -0.854 7.440 8.190 0.172 0.000 0.457 155 L N 1.307 122.426 121.223 -0.174 0.000 2.416 155 L HA -0.017 3.526 4.340 -1.329 0.000 0.272 155 L C -0.542 176.053 176.870 -0.458 0.000 1.161 155 L CA 0.585 54.977 54.840 -0.748 0.000 0.845 155 L CB 0.898 42.483 42.059 -0.791 0.000 1.119 155 L HN -0.176 8.245 8.230 -0.010 -0.197 0.464 156 K N 4.878 124.986 120.400 -0.487 0.000 2.208 156 K HA 0.599 4.858 4.320 -0.339 -0.142 0.247 156 K C -1.215 175.125 176.600 -0.433 0.000 0.953 156 K CA -2.584 53.483 56.287 -0.366 0.000 0.837 156 K CB 2.617 34.972 32.500 -0.242 0.000 1.131 156 K HN -0.190 7.697 8.250 -0.606 0.000 0.431 157 c N -0.679 117.577 118.600 -0.574 0.000 2.712 157 c HA 0.853 5.321 4.570 -0.432 -0.157 0.308 157 c C -1.968 171.761 174.090 -0.602 0.000 1.201 157 c CA -0.600 55.331 56.329 -0.663 0.000 1.554 157 c CB 3.639 45.545 42.510 -1.006 0.000 2.117 157 c HN 0.476 8.325 8.230 -0.636 0.000 0.480 158 L N 1.494 122.565 121.223 -0.254 0.000 2.505 158 L HA 0.456 4.829 4.340 0.055 0.000 0.266 158 L C -2.438 174.492 176.870 0.100 0.000 0.954 158 L CA 0.008 54.842 54.840 -0.010 0.000 0.852 158 L CB 4.423 46.501 42.059 0.031 0.000 1.282 158 L HN 0.729 8.836 8.230 -0.205 0.000 0.403 159 K N 7.819 128.350 120.400 0.219 0.000 2.258 159 K HA 0.686 5.302 4.320 0.136 -0.214 0.284 159 K C -1.122 175.610 176.600 0.220 0.000 1.051 159 K CA -0.335 56.064 56.287 0.187 0.000 0.923 159 K CB 0.766 33.383 32.500 0.195 0.000 1.046 159 K HN 0.305 8.732 8.250 0.295 0.000 0.474 160 A N 4.457 127.344 122.820 0.112 0.000 2.547 160 A HA 0.577 4.922 4.320 0.042 0.000 0.297 160 A C -3.399 174.123 177.584 -0.104 0.000 1.056 160 A CA -2.429 49.612 52.037 0.008 0.000 0.688 160 A CB 2.719 21.716 19.000 -0.005 0.000 1.282 160 A HN 0.400 8.589 8.150 0.065 0.000 0.400 161 P HA 0.564 5.136 4.420 -0.096 -0.210 0.284 161 P C -0.756 176.471 177.300 -0.121 0.000 1.258 161 P CA -1.410 61.601 63.100 -0.149 0.000 0.824 161 P CB 1.288 32.890 31.700 -0.163 0.000 1.038 162 I N 0.880 121.408 120.570 -0.072 0.000 2.618 162 I HA -0.162 4.170 4.170 0.078 -0.115 0.284 162 I C 0.270 176.375 176.117 -0.019 0.000 1.146 162 I CA 1.191 62.479 61.300 -0.019 0.000 1.425 162 I CB -0.210 37.709 38.000 -0.136 0.000 1.383 162 I HN -0.086 8.073 8.210 -0.084 0.000 0.562 163 L N 6.995 128.242 121.223 0.040 0.000 2.399 163 L HA 0.199 4.532 4.340 -0.011 0.000 0.265 163 L C -0.320 176.572 176.870 0.035 0.000 1.089 163 L CA -0.864 53.990 54.840 0.022 0.000 0.802 163 L CB 0.784 42.864 42.059 0.035 0.000 1.180 163 L HN 0.040 8.336 8.230 0.109 0.000 0.454 164 S N -0.410 115.302 115.700 0.020 0.000 2.568 164 S HA -0.074 4.403 4.470 0.012 0.000 0.282 164 S C 0.749 175.376 174.600 0.044 0.000 1.338 164 S CA -0.439 57.773 58.200 0.021 0.000 1.045 164 S CB 0.941 64.148 63.200 0.012 0.000 0.873 164 S HN 0.235 8.552 8.310 0.011 0.000 0.516 165 D N 2.566 122.993 120.400 0.045 0.000 2.182 165 D HA -0.283 4.408 4.640 0.085 0.000 0.201 165 D C 1.851 178.186 176.300 0.058 0.000 0.986 165 D CA 3.689 57.727 54.000 0.063 0.000 0.847 165 D CB -0.369 40.464 40.800 0.054 0.000 0.942 165 D HN 0.443 8.832 8.370 0.032 0.000 0.467 166 S N -2.275 113.449 115.700 0.041 0.000 2.406 166 S HA -0.074 4.421 4.470 0.042 0.000 0.228 166 S C 2.429 177.051 174.600 0.036 0.000 1.020 166 S CA 2.988 61.209 58.200 0.036 0.000 0.965 166 S CB -0.567 62.648 63.200 0.025 0.000 0.798 166 S HN 0.111 8.420 8.310 0.033 0.021 0.488 167 S N 4.161 119.881 115.700 0.032 0.000 2.368 167 S HA -0.232 4.247 4.470 0.015 0.000 0.225 167 S C 1.637 176.259 174.600 0.036 0.000 1.030 167 S CA 3.844 62.059 58.200 0.024 0.000 0.999 167 S CB -0.671 62.541 63.200 0.019 0.000 0.844 167 S HN -0.481 7.847 8.310 0.031 0.000 0.459 168 c N 3.374 122.014 118.600 0.068 0.000 2.432 168 c HA -0.329 4.315 4.570 0.123 0.000 0.277 168 c C 1.645 175.821 174.090 0.144 0.000 1.249 168 c CA 2.671 59.068 56.329 0.114 0.000 1.725 168 c CB -1.696 40.886 42.510 0.119 0.000 2.028 168 c HN -0.325 7.927 8.230 0.066 0.018 0.477 169 K N -1.205 119.263 120.400 0.112 0.000 2.148 169 K HA -0.311 4.106 4.320 0.162 0.000 0.204 169 K C 2.155 178.806 176.600 0.086 0.000 1.050 169 K CA 3.158 59.516 56.287 0.119 0.000 0.942 169 K CB -0.243 32.311 32.500 0.090 0.000 0.724 169 K HN -0.157 8.149 8.250 0.093 0.000 0.446 170 S N -0.347 115.380 115.700 0.045 0.000 2.402 170 S HA -0.118 4.363 4.470 0.018 0.000 0.229 170 S C 1.861 176.438 174.600 -0.037 0.000 1.021 170 S CA 2.643 60.849 58.200 0.010 0.000 0.974 170 S CB -0.706 62.494 63.200 0.000 0.000 0.800 170 S HN -0.272 8.064 8.310 0.044 0.000 0.484 171 A N 0.279 123.052 122.820 -0.080 0.000 1.930 171 A HA -0.186 3.975 4.320 -0.264 0.000 0.217 171 A C 0.316 177.624 177.584 -0.460 0.000 1.175 171 A CA 2.266 54.122 52.037 -0.301 0.000 0.627 171 A CB 0.646 19.419 19.000 -0.378 0.000 0.815 171 A HN -0.435 7.589 8.150 -0.029 0.109 0.443 172 Y N -4.336 116.000 120.300 0.061 0.000 2.495 172 Y HA 0.402 5.026 4.550 0.124 0.000 0.362 172 Y C -2.556 173.411 175.900 0.112 0.000 0.956 172 Y CA -3.024 55.148 58.100 0.121 0.000 1.127 172 Y CB 0.377 38.960 38.460 0.205 0.000 1.173 172 Y HN -0.600 7.711 8.280 0.092 0.025 0.639 173 P HA -0.122 4.468 4.420 0.109 -0.104 0.262 173 P C 0.866 178.240 177.300 0.124 0.000 1.182 173 P CA 1.040 64.210 63.100 0.117 0.000 0.761 173 P CB 0.078 31.818 31.700 0.066 0.000 0.795 174 G N 3.637 112.498 108.800 0.102 0.000 2.184 174 G HA2 -0.367 3.628 3.960 0.059 0.000 0.264 174 G HA3 -0.367 3.629 3.960 0.060 0.000 0.264 174 G C 0.016 174.965 174.900 0.082 0.000 0.975 174 G CA 0.631 45.776 45.100 0.075 0.000 0.642 174 G HN 0.562 8.910 8.290 0.098 0.000 0.536 175 Q N -2.330 117.557 119.800 0.146 0.000 2.179 175 Q HA 0.126 4.498 4.340 0.054 0.000 0.244 175 Q C -0.527 175.617 176.000 0.240 0.000 0.808 175 Q CA -0.359 55.535 55.803 0.152 0.000 0.955 175 Q CB 2.071 30.944 28.738 0.225 0.000 1.141 175 Q HN -0.519 7.817 8.270 0.184 0.044 0.485 176 I N 1.063 121.771 120.570 0.231 0.000 2.331 176 I HA 0.175 4.501 4.170 0.261 0.000 0.292 176 I C 0.058 176.260 176.117 0.141 0.000 0.998 176 I CA -2.392 59.033 61.300 0.209 0.000 1.267 176 I CB -0.697 37.410 38.000 0.179 0.000 1.386 176 I HN -0.444 7.892 8.210 0.210 0.000 0.476 177 T N 4.137 118.772 114.554 0.136 0.000 2.922 177 T HA 0.259 4.658 4.350 0.080 0.000 0.281 177 T C 1.063 175.820 174.700 0.095 0.000 1.005 177 T CA -1.875 60.284 62.100 0.097 0.000 0.982 177 T CB 2.206 71.124 68.868 0.082 0.000 1.158 177 T HN -0.333 8.005 8.240 0.164 0.000 0.566 178 S N -2.218 113.523 115.700 0.068 0.000 2.500 178 S HA -0.169 4.341 4.470 0.066 0.000 0.239 178 S C 0.493 175.137 174.600 0.074 0.000 0.989 178 S CA 2.111 60.346 58.200 0.058 0.000 0.951 178 S CB -0.692 62.522 63.200 0.023 0.000 0.759 178 S HN 0.248 8.591 8.310 0.054 0.000 0.523 179 N N 0.432 119.191 118.700 0.100 0.000 2.268 179 N HA 0.213 5.026 4.740 0.121 0.000 0.204 179 N C -1.371 174.271 175.510 0.219 0.000 1.124 179 N CA -0.249 52.894 53.050 0.155 0.000 0.838 179 N CB 0.872 39.475 38.487 0.193 0.000 0.994 179 N HN -0.549 7.812 8.380 0.098 0.077 0.489 180 M N -0.938 118.778 119.600 0.192 0.000 2.572 180 M HA 0.685 5.437 4.480 0.135 -0.192 0.299 180 M C -2.124 174.317 176.300 0.236 0.000 1.205 180 M CA -0.235 55.160 55.300 0.158 0.000 0.876 180 M CB 4.878 37.544 32.600 0.111 0.000 1.728 180 M HN -0.770 7.535 8.290 0.171 0.087 0.458 181 F N -4.907 115.083 119.950 0.067 0.000 2.643 181 F HA 0.620 5.173 4.527 0.042 0.000 0.314 181 F C -2.723 173.122 175.800 0.076 0.000 1.096 181 F CA -2.128 55.908 58.000 0.059 0.000 0.953 181 F CB 2.240 41.276 39.000 0.059 0.000 1.345 181 F HN 0.236 8.456 8.300 -0.133 0.000 0.468 182 c N -0.528 118.219 118.600 0.246 0.000 2.547 182 c HA 1.017 5.799 4.570 0.041 -0.188 0.411 182 c C 0.834 175.110 174.090 0.310 0.000 1.424 182 c CA -0.749 55.673 56.329 0.154 0.000 1.848 182 c CB 2.659 45.232 42.510 0.106 0.000 2.062 182 c HN 0.633 9.052 8.230 0.316 0.000 0.504 183 G N 0.436 109.164 108.800 -0.120 0.000 2.503 183 G HA2 -0.279 3.691 3.960 0.017 0.058 0.235 183 G HA3 -0.279 3.526 3.960 -0.259 0.000 0.235 183 G C -2.500 172.085 174.900 -0.524 0.000 1.179 183 G CA 0.149 45.124 45.100 -0.208 0.000 0.944 183 G HN 0.000 8.171 8.290 -0.198 0.000 0.580 184 Y N -0.386 119.948 120.300 0.056 0.000 2.331 184 Y HA 0.262 4.833 4.550 0.036 0.000 0.326 184 Y C 0.073 175.990 175.900 0.029 0.000 1.020 184 Y CA -1.050 57.073 58.100 0.038 0.000 1.136 184 Y CB 1.349 39.829 38.460 0.033 0.000 1.157 184 Y HN 0.140 8.512 8.280 0.153 0.000 0.444 185 L N 3.090 124.383 121.223 0.117 0.000 2.275 185 L HA -0.319 4.053 4.340 0.053 0.000 0.215 185 L C 1.478 178.393 176.870 0.075 0.000 1.119 185 L CA 2.566 57.447 54.840 0.068 0.000 0.790 185 L CB -0.294 41.785 42.059 0.033 0.000 0.919 185 L HN 0.592 8.879 8.230 0.095 0.000 0.443 186 E N -1.097 119.166 120.200 0.105 0.000 1.998 186 E HA -0.234 4.145 4.350 0.049 0.000 0.196 186 E C 1.602 178.238 176.600 0.059 0.000 1.003 186 E CA 2.001 58.443 56.400 0.070 0.000 0.829 186 E CB -0.094 29.644 29.700 0.063 0.000 0.777 186 E HN 0.064 8.484 8.360 0.143 0.026 0.460 187 G N 0.127 108.944 108.800 0.029 0.000 2.316 187 G HA2 -0.261 3.683 3.960 -0.028 0.000 0.203 187 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.203 187 G C -1.853 173.045 174.900 -0.003 0.000 0.999 187 G CA -0.033 45.065 45.100 -0.003 0.000 0.649 187 G HN 0.170 8.369 8.290 0.037 0.114 0.489 188 K N 0.283 120.708 120.400 0.042 0.000 2.578 188 K HA 0.740 5.326 4.320 0.044 -0.239 0.250 188 K C -1.854 174.850 176.600 0.173 0.000 0.955 188 K CA -0.922 55.411 56.287 0.077 0.000 0.825 188 K CB 3.185 35.674 32.500 -0.018 0.000 1.151 188 K HN -0.320 7.978 8.250 0.080 0.000 0.432 189 D N 3.285 123.762 120.400 0.128 0.000 2.710 189 D HA 0.222 4.970 4.640 0.179 0.000 0.276 189 D C -1.946 174.420 176.300 0.109 0.000 1.267 189 D CA -0.683 53.399 54.000 0.137 0.000 0.772 189 D CB 3.817 44.682 40.800 0.108 0.000 1.299 189 D HN 0.048 8.473 8.370 0.092 0.000 0.421 190 S N -1.459 114.322 115.700 0.134 0.000 2.632 190 S HA 0.337 4.954 4.470 0.093 -0.092 0.267 190 S C -1.599 173.043 174.600 0.069 0.000 1.276 190 S CA -0.446 57.820 58.200 0.110 0.000 0.998 190 S CB 0.905 64.207 63.200 0.170 0.000 0.953 190 S HN 0.221 8.634 8.310 0.173 0.000 0.547 191 C N -0.458 118.888 119.300 0.076 0.000 3.316 191 C HA 0.341 4.839 4.460 0.064 0.000 0.360 191 C C -1.388 173.677 174.990 0.126 0.000 1.560 191 C CA -0.604 58.458 59.018 0.073 0.000 1.229 191 C CB 3.394 31.154 27.740 0.034 0.000 1.823 191 C HN 0.369 8.987 8.230 0.091 -0.333 0.440 192 Q N 1.928 121.815 119.800 0.145 0.000 2.308 192 Q HA -0.356 4.111 4.340 0.212 0.000 0.313 192 Q C 0.812 177.017 176.000 0.342 0.000 1.075 192 Q CA 2.248 58.188 55.803 0.229 0.000 0.995 192 Q CB 0.460 29.347 28.738 0.248 0.000 1.107 192 Q HN 0.676 9.014 8.270 0.113 0.000 0.380 193 G N 6.342 115.344 108.800 0.336 0.000 2.254 193 G HA2 -0.377 3.900 3.960 0.528 0.000 0.225 193 G HA3 -0.377 3.803 3.960 0.368 0.000 0.225 193 G C 0.484 175.635 174.900 0.418 0.000 1.003 193 G CA 0.785 46.137 45.100 0.420 0.000 0.622 193 G HN 0.849 9.314 8.290 0.291 0.000 0.507 194 D N 1.584 122.160 120.400 0.295 0.000 2.323 194 D HA 0.004 4.801 4.640 0.261 0.000 0.209 194 D C 0.092 176.514 176.300 0.204 0.000 0.973 194 D CA 1.291 55.431 54.000 0.234 0.000 0.874 194 D CB 0.345 41.243 40.800 0.164 0.000 0.930 194 D HN -0.071 8.376 8.370 0.263 0.081 0.521 195 S N -0.748 115.078 115.700 0.210 0.000 2.642 195 S HA -0.390 4.348 4.470 0.234 -0.128 0.308 195 S C 1.100 175.743 174.600 0.072 0.000 1.255 195 S CA 2.560 60.880 58.200 0.201 0.000 1.057 195 S CB -0.422 62.971 63.200 0.322 0.000 0.785 195 S HN -0.169 8.230 8.310 0.234 0.052 0.500 196 G N 5.005 113.831 108.800 0.042 0.000 2.253 196 G HA2 -0.438 3.594 3.960 -0.059 0.000 0.251 196 G HA3 -0.438 3.576 3.960 -0.024 -0.069 0.251 196 G C -0.343 174.598 174.900 0.068 0.000 0.998 196 G CA 0.379 45.477 45.100 -0.004 0.000 0.621 196 G HN 0.526 8.872 8.290 0.094 0.000 0.524 197 G N 0.764 109.633 108.800 0.115 0.000 2.588 197 G HA2 0.392 4.435 3.960 0.139 0.000 0.281 197 G HA3 0.392 4.499 3.960 0.136 -0.065 0.281 197 G C -2.660 172.328 174.900 0.148 0.000 1.236 197 G CA -2.052 43.129 45.100 0.136 0.000 0.969 197 G HN -0.428 7.847 8.290 0.125 0.090 0.504 198 P HA 0.229 4.735 4.420 0.143 0.000 0.281 198 P C -1.579 175.787 177.300 0.111 0.000 1.249 198 P CA -0.771 62.426 63.100 0.163 0.000 0.810 198 P CB 1.558 33.435 31.700 0.296 0.000 1.008 199 V N 1.844 121.801 119.914 0.072 0.000 2.380 199 V HA 0.317 4.599 4.120 -0.014 -0.171 0.286 199 V C -1.006 175.102 176.094 0.024 0.000 1.015 199 V CA -1.418 60.886 62.300 0.007 0.000 0.834 199 V CB 0.717 32.494 31.823 -0.077 0.000 1.009 199 V HN -0.127 8.117 8.190 0.089 0.000 0.428 200 V N 8.607 128.530 119.914 0.014 0.000 2.417 200 V HA 0.466 4.746 4.120 -0.055 -0.193 0.291 200 V C -1.328 174.755 176.094 -0.019 0.000 1.024 200 V CA -1.008 61.276 62.300 -0.028 0.000 0.861 200 V CB 2.299 34.087 31.823 -0.059 0.000 0.985 200 V HN 0.417 8.627 8.190 0.032 0.000 0.436 201 c N 6.564 125.139 118.600 -0.042 0.000 2.431 201 c HA 0.519 5.072 4.570 -0.028 0.000 0.321 201 c C 0.747 174.810 174.090 -0.045 0.000 1.202 201 c CA -1.453 54.850 56.329 -0.044 0.000 1.398 201 c CB 1.205 43.671 42.510 -0.072 0.000 2.047 201 c HN 0.479 8.678 8.230 -0.053 0.000 0.465 202 S N 3.218 118.900 115.700 -0.030 0.000 3.614 202 S HA -0.317 4.143 4.470 -0.017 0.000 0.360 202 S C 0.209 174.790 174.600 -0.030 0.000 1.023 202 S CA 1.071 59.255 58.200 -0.026 0.000 1.114 202 S CB -1.783 61.397 63.200 -0.033 0.000 0.907 202 S HN 1.171 9.469 8.310 -0.021 0.000 0.470 203 G N -3.480 105.301 108.800 -0.032 0.000 2.162 203 G HA2 -0.442 3.498 3.960 -0.032 0.000 0.260 203 G HA3 -0.442 3.492 3.960 -0.043 0.000 0.260 203 G C -1.385 173.467 174.900 -0.080 0.000 0.976 203 G CA 0.202 45.274 45.100 -0.046 0.000 0.655 203 G HN 0.267 8.517 8.290 -0.026 0.024 0.533 210 Q N 0.737 120.559 119.800 0.038 0.000 2.391 210 Q HA 0.213 4.592 4.340 0.065 0.000 0.211 210 Q C -0.325 175.837 176.000 0.269 0.000 0.908 210 Q CA 0.411 56.258 55.803 0.074 0.000 0.920 210 Q CB 2.408 31.111 28.738 -0.058 0.000 1.056 210 Q HN 0.250 8.532 8.270 0.020 0.000 0.523 211 G N -3.022 105.952 108.800 0.290 0.000 2.672 211 G HA2 0.630 4.843 3.960 0.422 0.000 0.292 211 G HA3 0.630 5.105 3.960 0.438 -0.252 0.292 211 G C -3.202 171.819 174.900 0.202 0.000 1.375 211 G CA -0.684 44.633 45.100 0.361 0.000 0.890 211 G HN -0.395 8.007 8.290 0.188 0.000 0.476 212 I N -0.659 120.029 120.570 0.196 0.000 2.498 212 I HA 0.608 5.080 4.170 0.170 -0.201 0.290 212 I C -0.265 175.993 176.117 0.235 0.000 1.032 212 I CA -1.607 59.798 61.300 0.176 0.000 1.073 212 I CB 4.100 42.169 38.000 0.114 0.000 1.251 212 I HN -0.372 7.953 8.210 0.192 0.000 0.426 213 V N 6.475 126.544 119.914 0.259 0.000 2.475 213 V HA -0.257 3.996 4.120 0.222 0.000 0.292 213 V C -0.869 175.286 176.094 0.102 0.000 1.003 213 V CA 1.700 64.121 62.300 0.202 0.000 1.120 213 V CB -1.764 30.186 31.823 0.211 0.000 0.937 213 V HN 0.259 8.584 8.190 0.226 0.000 0.476 214 S N 9.135 124.790 115.700 -0.075 0.000 3.249 214 S HA 0.359 5.046 4.470 0.361 0.000 0.237 214 S C -1.363 173.302 174.600 0.109 0.000 1.007 214 S CA 0.074 58.349 58.200 0.126 0.000 0.811 214 S CB 2.758 66.016 63.200 0.097 0.000 0.832 214 S HN 0.070 8.158 8.310 -0.369 0.000 0.573 215 W N -3.430 117.687 121.300 -0.305 0.000 2.895 215 W HA 0.268 4.774 4.660 -0.256 0.000 0.377 215 W C -2.896 173.424 176.519 -0.332 0.000 1.191 215 W CA -0.741 56.425 57.345 -0.299 0.000 1.179 215 W CB 1.233 30.516 29.460 -0.296 0.000 1.469 215 W HN -0.119 7.747 8.180 -0.524 0.000 0.577 216 G N -3.190 105.636 108.800 0.043 0.000 2.342 216 G HA2 0.026 3.903 3.960 -0.138 0.000 0.297 216 G HA3 0.026 3.683 3.960 -0.506 0.000 0.297 216 G C -2.324 172.708 174.900 0.220 0.000 1.313 216 G CA 0.171 45.202 45.100 -0.116 0.000 0.830 216 G HN -0.131 8.341 8.290 0.304 0.000 0.506 220 A N 2.338 125.191 122.820 0.056 0.000 2.494 220 A HA -0.387 3.978 4.320 0.076 0.000 0.341 220 A C -0.284 177.328 177.584 0.047 0.000 1.495 220 A CA 0.894 52.966 52.037 0.057 0.000 1.143 220 A CB -0.800 18.224 19.000 0.040 0.000 0.879 220 A HN -0.161 8.354 8.150 0.063 -0.327 0.394 221 Q N -2.237 117.591 119.800 0.046 0.000 2.227 221 Q HA 0.148 4.505 4.340 0.028 0.000 0.245 221 Q C 0.345 176.362 176.000 0.029 0.000 0.926 221 Q CA -2.229 53.594 55.803 0.033 0.000 0.895 221 Q CB 1.793 30.550 28.738 0.031 0.000 1.230 221 Q HN -0.063 8.239 8.270 0.053 0.000 0.450 222 K N 1.921 122.332 120.400 0.018 0.000 2.484 222 K HA -0.399 4.082 4.320 0.023 -0.146 0.280 222 K C 0.289 176.882 176.600 -0.011 0.000 1.013 222 K CA 1.646 57.939 56.287 0.011 0.000 1.029 222 K CB -0.074 32.429 32.500 0.007 0.000 0.902 222 K HN 0.393 8.653 8.250 0.016 0.000 0.481 223 N N 2.546 121.236 118.700 -0.017 0.000 2.828 223 N HA -0.354 4.354 4.740 -0.053 0.000 0.248 223 N C -1.391 174.040 175.510 -0.133 0.000 1.044 223 N CA 1.967 54.979 53.050 -0.063 0.000 0.851 223 N CB -0.556 37.889 38.487 -0.069 0.000 1.136 223 N HN 0.517 8.793 8.380 0.004 0.106 0.572 224 K N -1.563 118.792 120.400 -0.076 0.000 2.842 224 K HA 0.523 4.659 4.320 -0.307 0.000 0.176 224 K C -2.540 174.104 176.600 0.074 0.000 1.080 224 K CA -3.606 52.628 56.287 -0.089 0.000 0.954 224 K CB 0.427 32.917 32.500 -0.016 0.000 1.203 224 K HN -0.590 7.587 8.250 -0.024 0.058 0.611 225 P HA -0.002 4.475 4.420 0.096 0.000 0.274 225 P C -0.411 176.929 177.300 0.066 0.000 1.256 225 P CA -0.904 62.258 63.100 0.103 0.000 0.795 225 P CB 0.915 32.668 31.700 0.089 0.000 1.038 226 G N -2.537 106.260 108.800 -0.005 0.000 2.527 226 G HA2 0.072 3.909 3.960 -0.315 0.000 0.248 226 G HA3 0.072 3.811 3.960 -0.368 0.000 0.248 226 G C -1.199 173.338 174.900 -0.605 0.000 1.231 226 G CA -0.383 44.527 45.100 -0.317 0.000 0.838 226 G HN -0.168 8.236 8.290 0.082 -0.064 0.570 227 V N 1.304 120.548 119.914 -1.117 0.000 2.513 227 V HA 0.526 4.312 4.120 -0.830 -0.164 0.299 227 V C -0.859 174.440 176.094 -1.325 0.000 1.035 227 V CA -2.198 59.378 62.300 -1.206 0.000 0.889 227 V CB 1.554 32.245 31.823 -1.888 0.000 0.988 227 V HN 0.252 7.769 8.190 -1.122 0.000 0.440 228 Y N 4.468 124.354 120.300 -0.691 0.000 2.477 228 Y HA 0.487 4.952 4.550 -0.405 -0.157 0.347 228 Y C 0.131 175.753 175.900 -0.464 0.000 0.981 228 Y CA -1.934 55.772 58.100 -0.656 0.000 1.033 228 Y CB 4.009 41.781 38.460 -1.147 0.000 1.245 228 Y HN 0.802 8.664 8.280 -0.697 0.000 0.455 229 T N 5.511 120.051 114.554 -0.023 0.000 2.888 229 T HA -0.058 4.504 4.350 0.126 -0.137 0.301 229 T C -0.585 174.278 174.700 0.272 0.000 1.001 229 T CA 1.800 63.968 62.100 0.112 0.000 1.147 229 T CB 0.303 69.220 68.868 0.083 0.000 0.931 229 T HN 0.303 8.552 8.240 0.015 0.000 0.541 230 K N 8.381 129.020 120.400 0.398 0.000 2.183 230 K HA 0.087 4.824 4.320 0.695 0.000 0.272 230 K C 1.065 177.919 176.600 0.424 0.000 1.113 230 K CA -0.682 55.905 56.287 0.500 0.000 0.949 230 K CB -0.150 32.591 32.500 0.402 0.000 1.365 230 K HN 0.137 8.507 8.250 0.365 0.099 0.420 231 V N 5.506 125.653 119.914 0.389 0.000 2.490 231 V HA -0.435 3.992 4.120 0.511 0.000 0.250 231 V C 1.605 177.865 176.094 0.276 0.000 1.061 231 V CA 3.307 65.830 62.300 0.371 0.000 1.064 231 V CB -0.865 31.104 31.823 0.244 0.000 0.670 231 V HN 0.271 8.698 8.190 0.395 0.000 0.461 232 c N -2.722 115.967 118.600 0.149 0.000 2.410 232 c HA -0.276 4.336 4.570 0.070 0.000 0.281 232 c C 2.101 176.197 174.090 0.011 0.000 1.318 232 c CA 1.986 58.352 56.329 0.062 0.000 1.776 232 c CB -1.945 40.570 42.510 0.008 0.000 1.942 232 c HN 0.494 8.784 8.230 0.146 0.028 0.508 233 N N 1.126 119.779 118.700 -0.078 0.000 2.459 233 N HA -0.134 4.483 4.740 -0.206 0.000 0.181 233 N C 0.580 175.824 175.510 -0.444 0.000 1.046 233 N CA 1.588 54.445 53.050 -0.321 0.000 0.904 233 N CB -0.287 37.876 38.487 -0.539 0.000 0.964 233 N HN -0.441 7.892 8.380 -0.019 0.036 0.444 234 Y N -4.474 115.902 120.300 0.127 0.000 2.467 234 Y HA 0.119 4.821 4.550 0.253 0.000 0.250 234 Y C 0.259 176.315 175.900 0.261 0.000 1.155 234 Y CA -0.309 57.933 58.100 0.237 0.000 1.249 234 Y CB 0.151 38.778 38.460 0.279 0.000 1.146 234 Y HN -0.298 7.866 8.280 0.114 0.184 0.524 235 V N 1.006 121.058 119.914 0.231 0.000 2.332 235 V HA -0.588 3.628 4.120 0.159 0.000 0.248 235 V C 1.766 177.931 176.094 0.119 0.000 1.055 235 V CA 4.762 67.152 62.300 0.150 0.000 1.038 235 V CB -0.912 30.958 31.823 0.078 0.000 0.651 235 V HN -0.811 7.476 8.190 0.162 0.000 0.450 236 S N 0.134 115.909 115.700 0.126 0.000 2.353 236 S HA -0.272 4.228 4.470 0.051 0.000 0.222 236 S C 1.789 176.471 174.600 0.136 0.000 1.035 236 S CA 3.827 62.087 58.200 0.100 0.000 1.025 236 S CB -0.550 62.706 63.200 0.094 0.000 0.902 236 S HN 0.237 8.620 8.310 0.122 0.000 0.440 237 W N 2.824 124.162 121.300 0.063 0.000 2.338 237 W HA -0.356 4.321 4.660 0.027 0.000 0.304 237 W C 1.328 177.852 176.519 0.009 0.000 1.212 237 W CA 3.399 60.783 57.345 0.065 0.000 1.264 237 W CB -0.316 29.257 29.460 0.188 0.000 1.142 237 W HN -0.403 8.028 8.180 0.418 0.000 0.512 238 I N -1.007 119.524 120.570 -0.065 0.000 2.179 238 I HA -0.745 2.930 4.170 -0.825 0.000 0.242 238 I C 1.941 177.800 176.117 -0.430 0.000 1.088 238 I CA 4.462 65.517 61.300 -0.407 0.000 1.357 238 I CB -0.247 37.687 38.000 -0.111 0.000 1.051 238 I HN 0.084 8.444 8.210 0.250 0.000 0.409 239 K N -1.122 119.142 120.400 -0.226 0.000 2.057 239 K HA -0.465 3.707 4.320 -0.247 0.000 0.207 239 K C 2.731 179.187 176.600 -0.241 0.000 1.049 239 K CA 3.866 60.026 56.287 -0.211 0.000 0.931 239 K CB -0.210 32.226 32.500 -0.106 0.000 0.714 239 K HN -0.199 7.976 8.250 -0.125 0.000 0.440 240 Q N -2.339 117.335 119.800 -0.209 0.000 2.079 240 Q HA -0.302 3.952 4.340 -0.143 0.000 0.200 240 Q C 2.541 178.374 176.000 -0.278 0.000 0.974 240 Q CA 3.317 59.009 55.803 -0.185 0.000 0.840 240 Q CB -0.069 28.612 28.738 -0.095 0.000 0.898 240 Q HN -0.132 8.035 8.270 -0.171 0.000 0.430 241 T N 2.330 116.600 114.554 -0.473 0.000 2.708 241 T HA -0.348 3.772 4.350 -0.384 0.000 0.266 241 T C 1.671 176.026 174.700 -0.575 0.000 1.037 241 T CA 4.540 66.305 62.100 -0.559 0.000 1.146 241 T CB -0.219 68.077 68.868 -0.954 0.000 0.865 241 T HN -0.277 7.632 8.240 -0.551 0.000 0.435 242 I N -0.550 119.547 120.570 -0.788 0.000 2.226 242 I HA -0.417 2.954 4.170 -1.331 0.000 0.245 242 I C 2.207 178.116 176.117 -0.347 0.000 1.100 242 I CA 3.715 64.464 61.300 -0.918 0.000 1.374 242 I CB -0.282 37.094 38.000 -1.040 0.000 1.057 242 I HN -0.276 7.466 8.210 -0.781 0.000 0.413 243 A N -0.639 122.028 122.820 -0.256 0.000 2.067 243 A HA -0.197 4.074 4.320 -0.081 0.000 0.219 243 A C 1.355 178.901 177.584 -0.064 0.000 1.158 243 A CA 2.716 54.683 52.037 -0.117 0.000 0.661 243 A CB -0.499 18.440 19.000 -0.101 0.000 0.801 243 A HN -0.298 7.672 8.150 -0.300 0.000 0.452 244 S N -3.647 112.004 115.700 -0.081 0.000 2.556 244 S HA 0.122 4.583 4.470 -0.014 0.000 0.216 244 S C -0.364 174.250 174.600 0.023 0.000 0.970 244 S CA 0.364 58.546 58.200 -0.030 0.000 0.912 244 S CB 0.135 63.306 63.200 -0.048 0.000 0.790 244 S HN -0.123 8.068 8.310 -0.140 0.035 0.504 245 N N 0.000 118.747 118.700 0.078 0.000 1.763 245 N HA 0.000 4.830 4.740 0.149 0.000 0.220 245 N CA 0.000 53.180 53.050 0.216 0.000 0.885 245 N CB 0.000 38.686 38.487 0.332 0.000 1.341 245 N HN 0.000 8.237 8.380 0.047 0.171 0.667