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 1uto_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 4.174 4.170 0.007 0.000 0.288 16 I C 0.000 176.100 176.117 -0.028 0.000 1.063 16 I CA 0.000 61.287 61.300 -0.022 0.000 1.566 16 I CB 0.000 37.955 38.000 -0.075 0.000 1.214 17 V N 5.852 125.763 119.914 -0.005 0.000 2.427 17 V HA 0.210 4.317 4.120 -0.022 0.000 0.286 17 V C 0.650 176.745 176.094 0.002 0.000 1.034 17 V CA -1.798 60.497 62.300 -0.008 0.000 0.893 17 V CB 0.763 32.586 31.823 -0.000 0.000 0.982 17 V HN 0.719 8.918 8.190 0.014 0.000 0.452 18 G N 6.768 115.564 108.800 -0.007 0.000 2.136 18 G HA2 -0.364 3.766 3.960 -0.014 0.000 0.242 18 G HA3 -0.364 3.590 3.960 -0.010 0.000 0.242 18 G C -0.875 174.035 174.900 0.017 0.000 0.989 18 G CA 0.381 45.478 45.100 -0.006 0.000 0.682 18 G HN 0.789 9.072 8.290 -0.012 0.000 0.522 19 G N -0.341 108.467 108.800 0.013 0.000 2.736 19 G HA2 0.539 4.575 3.960 -0.070 0.000 0.229 19 G HA3 0.539 4.556 3.960 0.096 0.000 0.229 19 G C -1.541 173.411 174.900 0.086 0.000 1.380 19 G CA -1.107 44.006 45.100 0.022 0.000 1.040 19 G HN -0.651 7.591 8.290 -0.008 0.042 0.568 20 Y N -5.874 114.405 120.300 -0.036 0.000 2.581 20 Y HA 0.375 4.905 4.550 -0.032 0.000 0.345 20 Y C -1.630 174.241 175.900 -0.048 0.000 1.036 20 Y CA -2.729 55.349 58.100 -0.036 0.000 1.042 20 Y CB 1.511 39.953 38.460 -0.030 0.000 1.289 20 Y HN 0.161 8.205 8.280 -0.393 0.000 0.471 21 T N 3.603 118.209 114.554 0.086 0.000 2.817 21 T HA -0.130 4.299 4.350 -0.086 -0.131 0.295 21 T C 0.453 175.179 174.700 0.043 0.000 0.958 21 T CA 1.948 64.049 62.100 0.002 0.000 1.157 21 T CB -0.104 68.788 68.868 0.040 0.000 0.898 21 T HN 0.228 8.557 8.240 0.149 0.000 0.536 22 c N 6.575 125.106 118.600 -0.115 0.000 2.429 22 c HA -0.157 4.400 4.570 -0.021 0.000 0.277 22 c C 0.039 174.151 174.090 0.035 0.000 1.262 22 c CA 1.165 57.452 56.329 -0.070 0.000 1.733 22 c CB -0.344 42.050 42.510 -0.194 0.000 2.010 22 c HN 0.379 8.497 8.230 -0.188 0.000 0.483 23 G N -2.182 106.621 108.800 0.005 0.000 2.784 23 G HA2 -0.280 3.698 3.960 0.030 0.000 0.686 23 G HA3 -0.280 3.694 3.960 0.023 0.000 0.686 23 G C -1.976 172.924 174.900 -0.000 0.000 1.156 23 G CA -0.722 44.388 45.100 0.017 0.000 0.757 23 G HN -0.501 7.751 8.290 -0.018 0.027 0.642 24 A N 4.189 127.018 122.820 0.014 0.000 2.548 24 A HA -0.196 4.287 4.320 0.026 -0.148 0.247 24 A C -0.156 177.433 177.584 0.008 0.000 1.067 24 A CA 1.125 53.174 52.037 0.020 0.000 0.757 24 A CB -0.032 18.987 19.000 0.031 0.000 0.996 24 A HN 0.273 8.435 8.150 0.020 0.000 0.504 25 N N -1.878 116.823 118.700 0.002 0.000 2.741 25 N HA -0.317 4.415 4.740 -0.014 0.000 0.251 25 N C 0.779 176.270 175.510 -0.031 0.000 1.112 25 N CA 1.585 54.630 53.050 -0.009 0.000 0.750 25 N CB -1.296 37.197 38.487 0.010 0.000 1.119 25 N HN 0.420 8.805 8.380 0.008 0.000 0.561 26 T N -3.187 111.339 114.554 -0.045 0.000 3.055 26 T HA -0.088 4.252 4.350 -0.017 0.000 0.265 26 T C -0.136 174.508 174.700 -0.093 0.000 1.111 26 T CA 2.581 64.656 62.100 -0.041 0.000 1.118 26 T CB 0.247 69.106 68.868 -0.015 0.000 0.909 26 T HN -0.368 7.787 8.240 -0.046 0.058 0.501 27 V N 2.929 122.723 119.914 -0.200 0.000 2.271 27 V HA 0.434 4.287 4.120 -0.444 0.000 0.259 27 V C -1.460 174.323 176.094 -0.517 0.000 1.030 27 V CA -3.788 58.240 62.300 -0.453 0.000 0.957 27 V CB -0.393 31.131 31.823 -0.499 0.000 1.186 27 V HN -0.362 7.666 8.190 -0.176 0.055 0.471 28 P HA 0.135 4.503 4.420 -0.087 0.000 0.233 28 P C 0.173 177.442 177.300 -0.053 0.000 1.167 28 P CA 1.400 64.434 63.100 -0.109 0.000 0.770 28 P CB -0.102 31.601 31.700 0.006 0.000 0.837 29 Y N -5.384 114.943 120.300 0.045 0.000 2.511 29 Y HA 0.437 5.178 4.550 0.060 -0.155 0.279 29 Y C -0.417 175.523 175.900 0.068 0.000 1.157 29 Y CA -3.099 55.034 58.100 0.055 0.000 1.300 29 Y CB -1.343 37.144 38.460 0.046 0.000 1.052 29 Y HN -0.426 7.457 8.280 -0.574 0.053 0.529 30 Q N 2.793 122.463 119.800 -0.217 0.000 2.297 30 Q HA 0.091 4.598 4.340 0.069 -0.126 0.267 30 Q C -0.173 175.913 176.000 0.144 0.000 1.006 30 Q CA 0.206 55.986 55.803 -0.038 0.000 0.896 30 Q CB 0.773 29.387 28.738 -0.208 0.000 1.186 30 Q HN -0.660 7.263 8.270 -0.488 0.054 0.392 31 V N 1.829 121.867 119.914 0.207 0.000 2.919 31 V HA 0.654 5.012 4.120 0.218 -0.107 0.316 31 V C -1.937 174.326 176.094 0.282 0.000 1.077 31 V CA -3.021 59.404 62.300 0.209 0.000 0.977 31 V CB 3.268 35.163 31.823 0.120 0.000 1.039 31 V HN 0.104 8.411 8.190 0.196 0.000 0.441 32 S N 2.170 117.943 115.700 0.122 0.000 2.449 32 S HA 0.471 5.271 4.470 0.174 -0.225 0.310 32 S C -0.829 173.670 174.600 -0.169 0.000 1.096 32 S CA -1.844 56.355 58.200 -0.002 0.000 1.095 32 S CB 1.149 64.144 63.200 -0.341 0.000 1.007 32 S HN -0.071 8.280 8.310 0.069 0.000 0.474 33 L N 7.839 128.836 121.223 -0.377 0.000 2.276 33 L HA 0.559 4.823 4.340 -0.343 -0.131 0.286 33 L C -1.101 175.366 176.870 -0.673 0.000 1.061 33 L CA -0.618 53.876 54.840 -0.577 0.000 0.807 33 L CB 0.603 42.121 42.059 -0.901 0.000 1.177 33 L HN 0.499 8.482 8.230 -0.412 0.000 0.429 38 G N 0.675 109.193 108.800 -0.470 0.000 2.201 38 G HA2 -0.211 3.675 3.960 -0.125 0.000 0.212 38 G HA3 -0.211 3.662 3.960 -0.146 0.000 0.212 38 G C -1.823 173.027 174.900 -0.083 0.000 0.994 38 G CA 0.262 45.227 45.100 -0.226 0.000 0.644 38 G HN 0.175 8.541 8.290 -0.383 -0.305 0.508 39 Y N -6.979 113.294 120.300 -0.045 0.000 2.638 39 Y HA 0.210 4.725 4.550 -0.059 0.000 0.334 39 Y C -2.365 173.538 175.900 0.006 0.000 1.182 39 Y CA -3.241 54.839 58.100 -0.033 0.000 1.102 39 Y CB 0.739 39.181 38.460 -0.030 0.000 1.343 39 Y HN -1.268 6.689 8.280 -0.670 -0.079 0.463 40 H N 2.981 122.059 119.070 0.013 0.000 2.964 40 H HA -0.158 4.431 4.556 -0.209 -0.159 0.328 40 H C -0.357 175.071 175.328 0.167 0.000 1.030 40 H CA 0.473 56.473 56.048 -0.080 0.000 1.445 40 H CB 0.256 29.900 29.762 -0.197 0.000 1.449 40 H HN 0.374 8.762 8.280 0.180 0.000 0.581 41 F N 2.467 122.044 119.950 -0.622 0.000 2.880 41 F HA 0.252 4.670 4.527 -0.183 0.000 0.346 41 F C -1.882 173.671 175.800 -0.413 0.000 1.054 41 F CA -0.902 56.897 58.000 -0.335 0.000 1.151 41 F CB 1.662 40.634 39.000 -0.047 0.000 1.066 41 F HN 0.075 7.779 8.300 -0.992 0.000 0.566 42 c N 0.486 118.386 118.600 -1.166 0.000 3.284 42 c HA 0.377 4.870 4.570 -0.235 -0.064 0.338 42 c C -1.794 172.094 174.090 -0.336 0.000 1.237 42 c CA -0.461 55.531 56.329 -0.560 0.000 1.276 42 c CB 2.814 45.010 42.510 -0.523 0.000 1.601 42 c HN -0.760 6.514 8.230 -1.593 0.000 0.494 43 G N 0.541 109.354 108.800 0.021 0.000 2.535 43 G HA2 0.700 4.793 3.960 0.223 0.000 0.303 43 G HA3 0.700 4.966 3.960 0.247 -0.159 0.303 43 G C -2.042 172.883 174.900 0.041 0.000 1.237 43 G CA -1.256 43.937 45.100 0.154 0.000 0.986 43 G HN 0.518 8.835 8.290 0.045 0.000 0.494 44 G N -3.657 105.204 108.800 0.102 0.000 2.495 44 G HA2 0.309 4.309 3.960 0.066 0.000 0.294 44 G HA3 0.309 4.671 3.960 0.085 -0.351 0.294 44 G C -2.627 172.363 174.900 0.150 0.000 1.397 44 G CA 0.341 45.496 45.100 0.093 0.000 0.790 44 G HN -0.634 7.749 8.290 0.155 0.000 0.486 45 S N -1.097 114.697 115.700 0.156 0.000 2.557 45 S HA 0.801 5.630 4.470 0.269 -0.198 0.291 45 S C -1.394 173.312 174.600 0.177 0.000 1.116 45 S CA -0.234 58.090 58.200 0.208 0.000 0.992 45 S CB 3.315 66.625 63.200 0.183 0.000 1.028 45 S HN 0.199 8.589 8.310 0.133 0.000 0.484 46 L N 5.797 127.140 121.223 0.200 0.000 2.369 46 L HA 0.194 4.748 4.340 0.154 -0.122 0.279 46 L C -0.329 176.628 176.870 0.145 0.000 1.108 46 L CA 0.070 55.010 54.840 0.166 0.000 0.852 46 L CB 1.081 43.236 42.059 0.160 0.000 1.169 46 L HN 0.282 8.660 8.230 0.246 0.000 0.452 47 I N 0.703 121.356 120.570 0.138 0.000 4.035 47 I HA 0.479 4.827 4.170 0.071 -0.136 0.321 47 I C -1.062 175.115 176.117 0.100 0.000 1.289 47 I CA -0.449 60.908 61.300 0.096 0.000 1.236 47 I CB 1.187 39.231 38.000 0.072 0.000 1.076 47 I HN 0.384 8.693 8.210 0.165 0.000 0.418 48 N N -1.466 117.320 118.700 0.144 0.000 3.308 48 N HA 0.026 4.825 4.740 0.099 0.000 0.276 48 N C 0.137 175.729 175.510 0.135 0.000 1.533 48 N CA -0.846 52.282 53.050 0.130 0.000 0.878 48 N CB 0.823 39.388 38.487 0.131 0.000 1.566 48 N HN -0.813 7.673 8.380 0.177 0.000 0.546 49 S N -4.157 111.606 115.700 0.106 0.000 2.507 49 S HA -0.142 4.368 4.470 0.066 0.000 0.235 49 S C 0.614 175.240 174.600 0.043 0.000 0.988 49 S CA 2.431 60.673 58.200 0.071 0.000 0.944 49 S CB -0.632 62.598 63.200 0.051 0.000 0.762 49 S HN 0.325 8.696 8.310 0.102 0.000 0.526 50 Q N -3.753 116.087 119.800 0.066 0.000 2.149 50 Q HA 0.342 4.614 4.340 -0.113 0.000 0.221 50 Q C -1.520 174.305 176.000 -0.292 0.000 0.807 50 Q CA -1.119 54.615 55.803 -0.116 0.000 1.000 50 Q CB 1.498 30.125 28.738 -0.184 0.000 1.157 50 Q HN 0.043 8.680 8.270 0.156 -0.273 0.487 51 W N -1.236 120.069 121.300 0.008 0.000 2.998 51 W HA 0.624 5.472 4.660 0.002 -0.187 0.335 51 W C -1.863 174.667 176.519 0.018 0.000 1.110 51 W CA -0.705 56.642 57.345 0.003 0.000 1.230 51 W CB 3.953 33.402 29.460 -0.018 0.000 1.405 51 W HN -0.590 7.792 8.180 0.217 -0.071 0.493 52 V N 1.888 121.964 119.914 0.270 0.000 2.628 52 V HA 0.843 5.253 4.120 0.176 -0.184 0.306 52 V C -1.985 174.229 176.094 0.201 0.000 1.045 52 V CA -1.891 60.522 62.300 0.188 0.000 0.905 52 V CB 3.713 35.603 31.823 0.113 0.000 0.997 52 V HN 0.772 9.124 8.190 0.270 0.000 0.436 53 V N 6.225 126.233 119.914 0.157 0.000 2.555 53 V HA 0.764 5.301 4.120 0.162 -0.320 0.302 53 V C -2.321 173.838 176.094 0.109 0.000 1.038 53 V CA -2.935 59.451 62.300 0.143 0.000 0.887 53 V CB 2.982 34.886 31.823 0.135 0.000 0.991 53 V HN 0.401 8.680 8.190 0.147 0.000 0.434 54 S N 8.131 123.883 115.700 0.087 0.000 2.851 54 S HA 0.641 5.319 4.470 0.041 -0.183 0.313 54 S C -1.834 172.763 174.600 -0.006 0.000 1.163 54 S CA -1.814 56.406 58.200 0.034 0.000 0.850 54 S CB 3.379 66.581 63.200 0.005 0.000 1.245 54 S HN 0.387 8.760 8.310 0.105 0.000 0.558 55 A N 0.049 122.818 122.820 -0.084 0.000 2.327 55 A HA 0.416 4.831 4.320 -0.104 -0.158 0.283 55 A C 0.945 178.398 177.584 -0.218 0.000 1.127 55 A CA -0.995 50.945 52.037 -0.161 0.000 0.810 55 A CB 1.085 19.907 19.000 -0.297 0.000 1.066 55 A HN 0.453 8.542 8.150 -0.102 0.000 0.492 56 A N 5.157 127.789 122.820 -0.314 0.000 1.978 56 A HA -0.269 3.876 4.320 -0.291 0.000 0.220 56 A C 1.280 178.630 177.584 -0.389 0.000 1.170 56 A CA 2.828 54.555 52.037 -0.518 0.000 0.636 56 A CB -0.469 17.763 19.000 -1.280 0.000 0.810 56 A HN 0.593 8.588 8.150 -0.305 -0.028 0.448 57 H N -4.729 114.215 119.070 -0.210 0.000 2.559 57 H HA -0.071 4.557 4.556 0.120 0.000 0.273 57 H C 0.270 175.663 175.328 0.109 0.000 1.000 57 H CA 1.545 57.627 56.048 0.056 0.000 1.195 57 H CB -1.268 28.582 29.762 0.146 0.000 1.368 57 H HN -0.122 8.299 8.280 -0.172 -0.244 0.592 58 c N -1.801 116.680 118.600 -0.199 0.000 2.626 58 c HA -0.041 4.594 4.570 0.109 0.000 0.266 58 c C -0.346 173.828 174.090 0.140 0.000 1.317 58 c CA 0.575 56.916 56.329 0.020 0.000 1.716 58 c CB -1.879 40.600 42.510 -0.051 0.000 1.819 58 c HN -0.516 7.350 8.230 -0.322 0.171 0.578 59 Y N 2.917 123.226 120.300 0.015 0.000 2.811 59 Y HA -0.311 4.264 4.550 0.041 0.000 0.334 59 Y C -0.893 175.006 175.900 -0.001 0.000 1.247 59 Y CA 1.875 59.989 58.100 0.024 0.000 1.526 59 Y CB 0.432 38.896 38.460 0.006 0.000 1.284 59 Y HN -0.571 7.648 8.280 0.177 0.167 0.586 60 K N 4.226 123.953 120.400 -1.122 0.000 2.625 60 K HA 0.166 3.653 4.320 -1.388 0.000 0.284 60 K C -2.106 173.992 176.600 -0.836 0.000 0.984 60 K CA -1.145 54.477 56.287 -1.108 0.000 0.865 60 K CB 2.698 34.791 32.500 -0.678 0.000 1.468 60 K HN -0.002 7.755 8.250 -0.822 0.000 0.407 61 S N -0.834 114.535 115.700 -0.551 0.000 2.593 61 S HA 0.049 4.410 4.470 -0.182 0.000 0.269 61 S C 1.214 175.687 174.600 -0.211 0.000 1.334 61 S CA 0.423 58.475 58.200 -0.248 0.000 1.015 61 S CB 0.093 63.217 63.200 -0.126 0.000 0.912 61 S HN 0.101 8.088 8.310 -0.540 0.000 0.541 62 G N 1.184 109.906 108.800 -0.130 0.000 2.212 62 G HA2 -0.217 3.662 3.960 -0.135 0.000 0.255 62 G HA3 -0.217 3.688 3.960 -0.091 0.000 0.255 62 G C -1.094 173.736 174.900 -0.116 0.000 1.062 62 G CA 0.140 45.169 45.100 -0.119 0.000 0.815 62 G HN 0.256 8.488 8.290 -0.097 0.000 0.497 63 I N -0.803 119.721 120.570 -0.077 0.000 2.395 63 I HA 0.008 4.185 4.170 0.012 0.000 0.289 63 I C -1.759 174.330 176.117 -0.048 0.000 1.023 63 I CA -0.588 60.702 61.300 -0.018 0.000 1.350 63 I CB 0.747 38.771 38.000 0.040 0.000 1.409 63 I HN -0.441 7.727 8.210 -0.071 0.000 0.507 64 Q N 7.269 127.025 119.800 -0.073 0.000 2.293 64 Q HA 0.366 4.665 4.340 -0.069 0.000 0.261 64 Q C -1.436 174.498 176.000 -0.110 0.000 0.960 64 Q CA -1.410 54.335 55.803 -0.096 0.000 0.882 64 Q CB 3.188 31.837 28.738 -0.149 0.000 1.275 64 Q HN 0.442 8.667 8.270 -0.075 0.000 0.445 65 V N 7.215 127.089 119.914 -0.067 0.000 2.461 65 V HA 0.088 4.160 4.120 -0.081 0.000 0.275 65 V C -0.968 175.117 176.094 -0.015 0.000 1.047 65 V CA -0.266 62.004 62.300 -0.050 0.000 0.955 65 V CB 0.099 31.912 31.823 -0.017 0.000 0.988 65 V HN 0.725 8.887 8.190 -0.046 0.000 0.471 66 R N 6.808 127.287 120.500 -0.035 0.000 2.337 66 R HA 0.605 5.244 4.340 0.219 -0.168 0.319 66 R C -0.800 175.565 176.300 0.109 0.000 0.954 66 R CA -1.297 54.840 56.100 0.061 0.000 0.840 66 R CB 1.414 31.632 30.300 -0.138 0.000 1.164 66 R HN 0.481 8.709 8.270 -0.070 0.000 0.472 70 E N 0.021 120.327 120.200 0.177 0.000 2.313 70 E HA 0.136 4.579 4.350 0.154 0.000 0.272 70 E C -1.480 175.305 176.600 0.308 0.000 1.038 70 E CA 0.292 56.817 56.400 0.209 0.000 0.863 70 E CB 1.014 30.791 29.700 0.129 0.000 1.060 70 E HN -0.554 7.856 8.360 0.197 0.068 0.402 71 D N 2.774 123.324 120.400 0.249 0.000 3.074 71 D HA 0.086 4.933 4.640 0.344 0.000 0.227 71 D C -0.832 175.669 176.300 0.335 0.000 1.553 71 D CA 0.977 55.143 54.000 0.278 0.000 1.347 71 D CB 2.435 43.317 40.800 0.138 0.000 1.021 71 D HN 0.118 8.595 8.370 0.178 0.000 0.260 72 N N 1.020 119.829 118.700 0.181 0.000 2.405 72 N HA 0.071 5.157 4.740 0.184 -0.235 0.260 72 N C 2.229 177.755 175.510 0.028 0.000 1.152 72 N CA -0.046 53.082 53.050 0.131 0.000 0.948 72 N CB 0.436 38.973 38.487 0.084 0.000 1.111 72 N HN -0.396 8.393 8.380 0.138 -0.326 0.485 73 I N 0.326 120.824 120.570 -0.120 0.000 3.176 73 I HA -0.127 4.036 4.170 -0.258 -0.147 0.275 73 I C -0.312 175.722 176.117 -0.138 0.000 1.298 73 I CA 1.525 62.652 61.300 -0.289 0.000 1.445 73 I CB -0.693 36.885 38.000 -0.705 0.000 1.075 73 I HN 0.266 8.417 8.210 -0.099 0.000 0.482 74 N N -2.624 116.044 118.700 -0.054 0.000 2.205 74 N HA 0.179 4.901 4.740 -0.029 0.000 0.201 74 N C -1.010 174.508 175.510 0.013 0.000 1.128 74 N CA -0.143 52.896 53.050 -0.018 0.000 0.867 74 N CB 1.985 40.470 38.487 -0.004 0.000 0.996 74 N HN -0.311 8.312 8.380 -0.033 -0.263 0.503 75 V N 0.500 120.430 119.914 0.025 0.000 2.686 75 V HA 0.047 4.188 4.120 0.035 0.000 0.306 75 V C -1.360 174.763 176.094 0.049 0.000 1.065 75 V CA -1.849 60.472 62.300 0.036 0.000 0.894 75 V CB 3.235 35.078 31.823 0.034 0.000 1.004 75 V HN -0.762 7.383 8.190 0.021 0.057 0.424 76 V N 6.817 126.759 119.914 0.046 0.000 2.405 76 V HA -0.182 4.167 4.120 0.046 -0.201 0.264 76 V C 0.212 176.312 176.094 0.010 0.000 1.048 76 V CA 0.363 62.682 62.300 0.031 0.000 0.966 76 V CB -0.952 30.878 31.823 0.012 0.000 1.015 76 V HN 0.304 8.520 8.190 0.042 0.000 0.477 77 E N 8.668 128.873 120.200 0.009 0.000 2.473 77 E HA 0.105 4.461 4.350 0.009 0.000 0.204 77 E C 0.491 177.087 176.600 -0.007 0.000 0.994 77 E CA -0.117 56.288 56.400 0.009 0.000 0.945 77 E CB 0.894 30.610 29.700 0.027 0.000 0.990 77 E HN 0.315 9.151 8.360 0.011 -0.470 0.493 78 G N -1.306 107.477 108.800 -0.027 0.000 2.229 78 G HA2 -0.292 3.652 3.960 -0.027 0.000 0.189 78 G HA3 -0.292 3.635 3.960 -0.054 0.000 0.189 78 G C -0.190 174.684 174.900 -0.044 0.000 1.000 78 G CA 0.262 45.338 45.100 -0.039 0.000 0.663 78 G HN 0.067 8.623 8.290 -0.035 -0.288 0.493 79 N N -0.386 118.294 118.700 -0.033 0.000 2.200 79 N HA 0.088 4.808 4.740 -0.033 0.000 0.224 79 N C -1.472 174.014 175.510 -0.041 0.000 1.179 79 N CA -0.785 52.249 53.050 -0.027 0.000 0.877 79 N CB 0.935 39.423 38.487 0.001 0.000 1.072 79 N HN 0.279 8.645 8.380 -0.022 0.000 0.519 80 E N 0.153 120.298 120.200 -0.091 0.000 2.373 80 E HA 0.144 4.918 4.350 -0.016 -0.433 0.263 80 E C -0.169 176.310 176.600 -0.203 0.000 1.073 80 E CA 0.278 56.602 56.400 -0.127 0.000 0.894 80 E CB 0.633 30.162 29.700 -0.284 0.000 1.008 80 E HN -0.450 7.844 8.360 -0.111 0.000 0.420 81 Q N 0.930 120.674 119.800 -0.093 0.000 2.292 81 Q HA 0.302 4.541 4.340 -0.168 0.000 0.270 81 Q C -1.309 174.780 176.000 0.148 0.000 1.024 81 Q CA -1.260 54.504 55.803 -0.064 0.000 0.768 81 Q CB 2.949 31.684 28.738 -0.004 0.000 1.250 81 Q HN 0.363 8.643 8.270 0.017 0.000 0.447 82 F N 3.439 123.371 119.950 -0.029 0.000 2.411 82 F HA 0.783 5.455 4.527 -0.043 -0.171 0.352 82 F C 0.264 176.041 175.800 -0.039 0.000 1.123 82 F CA -1.657 56.319 58.000 -0.039 0.000 1.044 82 F CB 1.988 40.962 39.000 -0.043 0.000 1.135 82 F HN 0.260 8.549 8.300 -0.018 0.000 0.461 83 I N 3.444 124.095 120.570 0.135 0.000 2.512 83 I HA 0.296 4.494 4.170 0.046 0.000 0.287 83 I C -0.955 175.164 176.117 0.004 0.000 1.069 83 I CA -1.450 59.878 61.300 0.046 0.000 1.056 83 I CB 4.064 42.074 38.000 0.018 0.000 1.229 83 I HN 0.687 8.973 8.210 0.127 0.000 0.429 84 S N 8.049 123.742 115.700 -0.012 0.000 2.560 84 S HA 0.021 4.580 4.470 -0.039 -0.112 0.284 84 S C 0.283 174.852 174.600 -0.052 0.000 1.327 84 S CA 0.952 59.131 58.200 -0.034 0.000 1.055 84 S CB 0.342 63.522 63.200 -0.033 0.000 0.868 84 S HN 0.521 8.829 8.310 -0.003 0.000 0.506 85 A N 4.724 127.511 122.820 -0.054 0.000 2.440 85 A HA 0.244 4.642 4.320 -0.093 -0.134 0.251 85 A C -0.006 177.537 177.584 -0.070 0.000 1.089 85 A CA 0.074 52.070 52.037 -0.069 0.000 0.779 85 A CB 0.843 19.818 19.000 -0.042 0.000 1.022 85 A HN -0.107 8.014 8.150 -0.049 0.000 0.492 86 S N 2.023 117.662 115.700 -0.103 0.000 2.483 86 S HA 0.118 4.551 4.470 -0.061 0.000 0.221 86 S C 0.386 174.950 174.600 -0.060 0.000 1.030 86 S CA 0.703 58.852 58.200 -0.085 0.000 0.925 86 S CB 1.212 64.342 63.200 -0.117 0.000 0.795 86 S HN 0.422 8.647 8.310 -0.143 0.000 0.511 87 K N 0.472 120.830 120.400 -0.070 0.000 2.557 87 K HA 0.250 4.586 4.320 0.026 0.000 0.261 87 K C -2.678 173.945 176.600 0.038 0.000 0.932 87 K CA 0.247 56.530 56.287 -0.006 0.000 0.829 87 K CB 2.742 35.237 32.500 -0.007 0.000 1.358 87 K HN -0.736 7.451 8.250 -0.105 0.000 0.430 88 S N 3.648 119.419 115.700 0.118 0.000 2.482 88 S HA 0.824 5.568 4.470 0.180 -0.166 0.303 88 S C -0.426 174.288 174.600 0.191 0.000 1.091 88 S CA -0.754 57.557 58.200 0.185 0.000 1.057 88 S CB 1.831 65.193 63.200 0.270 0.000 1.031 88 S HN 0.115 8.498 8.310 0.122 0.000 0.485 89 I N 5.114 125.820 120.570 0.225 0.000 2.495 89 I HA 0.318 4.591 4.170 0.172 0.000 0.277 89 I C -1.743 174.534 176.117 0.267 0.000 1.045 89 I CA -0.872 60.565 61.300 0.227 0.000 1.135 89 I CB 2.082 40.229 38.000 0.245 0.000 1.241 89 I HN 0.854 9.215 8.210 0.251 0.000 0.469 90 V N 6.871 126.873 119.914 0.146 0.000 2.811 90 V HA -0.212 3.965 4.120 0.094 0.000 0.302 90 V C 0.167 176.338 176.094 0.130 0.000 1.063 90 V CA -0.097 62.256 62.300 0.088 0.000 1.088 90 V CB 0.372 32.168 31.823 -0.046 0.000 0.982 90 V HN 0.194 8.431 8.190 0.078 0.000 0.485 91 H N 8.216 127.228 119.070 -0.096 0.000 3.064 91 H HA -0.063 4.122 4.556 -0.618 0.000 0.329 91 H C 0.041 175.278 175.328 -0.152 0.000 1.020 91 H CA 0.985 56.795 56.048 -0.396 0.000 1.402 91 H CB 1.538 30.930 29.762 -0.617 0.000 1.379 91 H HN -0.271 8.027 8.280 0.031 0.000 0.594 92 P HA -0.118 4.261 4.420 -0.069 0.000 0.218 92 P C -0.438 176.872 177.300 0.017 0.000 1.148 92 P CA 1.898 64.895 63.100 -0.173 0.000 0.822 92 P CB 0.287 31.851 31.700 -0.226 0.000 0.784 93 S N -3.262 112.581 115.700 0.239 0.000 2.568 93 S HA 0.123 4.655 4.470 0.104 0.000 0.232 93 S C -0.442 174.267 174.600 0.182 0.000 0.975 93 S CA -0.536 57.788 58.200 0.206 0.000 0.949 93 S CB -0.138 63.184 63.200 0.203 0.000 0.829 93 S HN -0.438 8.157 8.310 0.536 0.037 0.479 94 Y N 4.518 124.863 120.300 0.075 0.000 2.717 94 Y HA -0.297 4.420 4.550 -0.037 -0.189 0.330 94 Y C -0.509 175.383 175.900 -0.014 0.000 1.217 94 Y CA 1.136 59.234 58.100 -0.003 0.000 1.506 94 Y CB 0.612 39.070 38.460 -0.003 0.000 1.268 94 Y HN -0.751 7.563 8.280 0.332 0.166 0.561 95 N N 7.865 126.223 118.700 -0.571 0.000 2.518 95 N HA 0.218 4.662 4.740 -0.494 0.000 0.254 95 N C -0.507 174.474 175.510 -0.881 0.000 0.979 95 N CA -0.959 51.744 53.050 -0.579 0.000 0.930 95 N CB 2.149 40.470 38.487 -0.277 0.000 1.152 95 N HN -0.170 7.976 8.380 -0.390 0.000 0.505 96 S N 4.776 119.935 115.700 -0.902 0.000 2.481 96 S HA -0.020 4.027 4.470 -0.704 0.000 0.231 96 S C 1.088 175.507 174.600 -0.302 0.000 0.996 96 S CA 1.616 59.458 58.200 -0.596 0.000 0.942 96 S CB -0.381 62.659 63.200 -0.266 0.000 0.768 96 S HN 0.691 8.561 8.310 -0.733 0.000 0.520 97 N N 1.875 120.407 118.700 -0.280 0.000 2.135 97 N HA -0.097 4.529 4.740 -0.190 0.000 0.186 97 N C 1.857 177.208 175.510 -0.265 0.000 1.027 97 N CA 2.278 55.197 53.050 -0.218 0.000 0.849 97 N CB 0.419 38.802 38.487 -0.172 0.000 1.002 97 N HN 0.014 8.362 8.380 -0.304 -0.150 0.425 98 T N -3.887 110.500 114.554 -0.278 0.000 3.022 98 T HA 0.029 4.168 4.350 -0.353 0.000 0.250 98 T C 0.443 174.932 174.700 -0.352 0.000 1.060 98 T CA -0.003 61.915 62.100 -0.304 0.000 1.013 98 T CB 1.731 70.480 68.868 -0.199 0.000 0.982 98 T HN -0.511 7.814 8.240 -0.272 -0.247 0.508 99 L N -3.597 117.461 121.223 -0.274 0.000 4.429 99 L HA -0.515 3.924 4.340 0.058 -0.065 0.422 99 L C -1.785 175.116 176.870 0.051 0.000 1.149 99 L CA 0.730 55.522 54.840 -0.079 0.000 0.972 99 L CB -2.942 39.016 42.059 -0.168 0.000 2.059 99 L HN -0.261 7.791 8.230 -0.296 0.000 0.870 100 N N -0.791 117.895 118.700 -0.022 0.000 2.492 100 N HA -0.204 4.589 4.740 0.087 0.000 0.262 100 N C 0.039 175.603 175.510 0.089 0.000 1.202 100 N CA 0.967 54.044 53.050 0.044 0.000 0.926 100 N CB 0.948 39.435 38.487 -0.001 0.000 1.078 100 N HN -0.707 7.548 8.380 -0.104 0.063 0.454 101 N N -1.257 117.487 118.700 0.072 0.000 2.756 101 N HA -0.473 4.169 4.740 -0.163 0.000 0.248 101 N C -1.365 174.104 175.510 -0.069 0.000 1.062 101 N CA 1.349 54.334 53.050 -0.107 0.000 0.696 101 N CB -1.520 36.824 38.487 -0.239 0.000 0.946 101 N HN 0.645 9.088 8.380 0.104 0.000 0.548 102 D N -1.002 119.402 120.400 0.007 0.000 2.608 102 D HA 0.058 4.663 4.640 -0.058 0.000 0.224 102 D C -1.759 174.434 176.300 -0.178 0.000 1.123 102 D CA -0.443 53.556 54.000 -0.003 0.000 1.030 102 D CB -0.671 40.245 40.800 0.193 0.000 1.093 102 D HN -0.139 8.252 8.370 0.035 0.000 0.497 103 I N 2.156 122.548 120.570 -0.297 0.000 2.752 103 I HA 0.601 4.867 4.170 -0.133 -0.177 0.295 103 I C -3.014 173.059 176.117 -0.074 0.000 1.219 103 I CA -1.351 59.820 61.300 -0.215 0.000 1.030 103 I CB 3.686 41.447 38.000 -0.398 0.000 1.259 103 I HN -0.453 7.519 8.210 -0.330 0.040 0.423 104 M N 3.963 123.608 119.600 0.076 0.000 2.618 104 M HA 0.838 5.648 4.480 0.340 -0.126 0.281 104 M C -2.652 173.811 176.300 0.271 0.000 1.267 104 M CA -1.455 53.974 55.300 0.216 0.000 0.845 104 M CB 4.673 37.352 32.600 0.130 0.000 1.732 104 M HN 0.439 8.763 8.290 0.056 0.000 0.461 105 L N -1.101 120.307 121.223 0.307 0.000 2.346 105 L HA 0.857 5.526 4.340 0.267 -0.169 0.274 105 L C -1.274 175.794 176.870 0.329 0.000 1.007 105 L CA -1.512 53.504 54.840 0.293 0.000 0.818 105 L CB 3.650 45.813 42.059 0.173 0.000 1.284 105 L HN 0.147 8.597 8.230 0.367 0.000 0.424 106 I N 0.936 121.693 120.570 0.312 0.000 2.447 106 I HA 0.505 4.915 4.170 0.122 -0.167 0.287 106 I C -1.610 174.467 176.117 -0.067 0.000 1.023 106 I CA -1.253 60.128 61.300 0.135 0.000 1.083 106 I CB 2.789 40.836 38.000 0.078 0.000 1.245 106 I HN 0.695 9.113 8.210 0.345 0.000 0.434 107 K N 7.011 127.156 120.400 -0.425 0.000 2.172 107 K HA 0.549 4.272 4.320 -1.282 -0.173 0.276 107 K C -0.905 175.416 176.600 -0.464 0.000 1.013 107 K CA -1.610 54.109 56.287 -0.947 0.000 0.913 107 K CB 2.579 34.323 32.500 -1.261 0.000 1.055 107 K HN 0.381 8.463 8.250 -0.280 0.000 0.461 108 L N 5.361 126.331 121.223 -0.420 0.000 2.349 108 L HA -0.048 4.190 4.340 -0.170 0.000 0.275 108 L C 0.148 176.896 176.870 -0.202 0.000 1.115 108 L CA 0.376 55.080 54.840 -0.226 0.000 0.820 108 L CB 0.150 42.115 42.059 -0.157 0.000 1.135 108 L HN 0.374 8.283 8.230 -0.536 0.000 0.445 109 K N 3.579 123.901 120.400 -0.129 0.000 2.147 109 K HA -0.278 3.975 4.320 -0.112 0.000 0.205 109 K C -0.415 176.135 176.600 -0.084 0.000 1.049 109 K CA 1.964 58.192 56.287 -0.099 0.000 0.936 109 K CB 0.530 32.991 32.500 -0.066 0.000 0.722 109 K HN 0.397 8.582 8.250 -0.108 0.000 0.446 110 S N -4.193 111.463 115.700 -0.074 0.000 2.569 110 S HA 0.107 4.543 4.470 -0.056 0.000 0.280 110 S C -1.799 172.768 174.600 -0.055 0.000 1.111 110 S CA -1.326 56.842 58.200 -0.055 0.000 0.887 110 S CB 2.647 65.827 63.200 -0.033 0.000 1.095 110 S HN -0.549 7.694 8.310 -0.074 0.022 0.476 111 A N 1.574 124.370 122.820 -0.041 0.000 2.477 111 A HA -0.113 4.325 4.320 -0.039 -0.142 0.246 111 A C 0.087 177.664 177.584 -0.012 0.000 1.078 111 A CA 0.123 52.144 52.037 -0.027 0.000 0.770 111 A CB 0.476 19.471 19.000 -0.008 0.000 1.011 111 A HN 0.238 8.367 8.150 -0.035 0.000 0.494 112 A N 3.180 126.000 122.820 -0.002 0.000 2.445 112 A HA -0.087 4.332 4.320 0.007 -0.095 0.242 112 A C -0.325 177.267 177.584 0.014 0.000 1.075 112 A CA 0.019 52.063 52.037 0.011 0.000 0.777 112 A CB 0.895 19.912 19.000 0.027 0.000 1.013 112 A HN 0.160 8.309 8.150 -0.003 0.000 0.493 113 S N 1.868 117.574 115.700 0.010 0.000 2.405 113 S HA 0.066 4.542 4.470 0.010 0.000 0.291 113 S C -0.510 174.100 174.600 0.017 0.000 1.137 113 S CA -0.275 57.931 58.200 0.009 0.000 1.061 113 S CB -0.423 62.777 63.200 -0.001 0.000 1.001 113 S HN -0.105 8.531 8.310 0.006 -0.322 0.507 114 L N 8.727 129.964 121.223 0.023 0.000 2.380 114 L HA 0.174 4.661 4.340 0.036 -0.126 0.273 114 L C -0.054 176.831 176.870 0.026 0.000 1.138 114 L CA 0.045 54.904 54.840 0.031 0.000 0.832 114 L CB 0.576 42.657 42.059 0.037 0.000 1.124 114 L HN 0.229 8.472 8.230 0.022 0.000 0.454 115 N N 1.626 120.343 118.700 0.029 0.000 3.322 115 N HA 0.022 4.776 4.740 0.023 0.000 0.233 115 N C -0.244 175.283 175.510 0.029 0.000 1.399 115 N CA -0.580 52.484 53.050 0.024 0.000 0.894 115 N CB 1.073 39.569 38.487 0.015 0.000 1.440 115 N HN 0.200 8.601 8.380 0.035 0.000 0.503 116 S N -0.213 115.502 115.700 0.025 0.000 2.451 116 S HA -0.320 4.167 4.470 0.029 0.000 0.272 116 S C 0.853 175.469 174.600 0.028 0.000 1.136 116 S CA 3.168 61.383 58.200 0.026 0.000 1.209 116 S CB -0.276 62.935 63.200 0.019 0.000 1.130 116 S HN 0.424 8.747 8.310 0.021 0.000 0.440 117 R N -2.965 117.548 120.500 0.023 0.000 2.276 117 R HA 0.008 4.358 4.340 0.017 0.000 0.196 117 R C -0.870 175.447 176.300 0.029 0.000 0.961 117 R CA 0.759 56.871 56.100 0.021 0.000 1.024 117 R CB 1.127 31.438 30.300 0.018 0.000 0.940 117 R HN -0.455 7.984 8.270 0.021 -0.156 0.480 118 V N -1.251 118.686 119.914 0.037 0.000 2.419 118 V HA 0.409 4.733 4.120 0.057 -0.170 0.287 118 V C -2.203 173.930 176.094 0.066 0.000 1.017 118 V CA -1.793 60.538 62.300 0.052 0.000 0.844 118 V CB 1.684 33.535 31.823 0.045 0.000 1.011 118 V HN 0.162 8.356 8.190 0.035 0.017 0.429 119 A N 7.008 129.884 122.820 0.094 0.000 2.572 119 A HA 0.530 4.903 4.320 0.088 0.000 0.295 119 A C -2.674 175.002 177.584 0.153 0.000 1.072 119 A CA -1.329 50.773 52.037 0.110 0.000 0.691 119 A CB 3.364 22.432 19.000 0.114 0.000 1.291 119 A HN -0.209 8.002 8.150 0.102 0.000 0.404 120 S N -0.421 115.353 115.700 0.122 0.000 2.617 120 S HA 0.345 5.074 4.470 0.149 -0.169 0.269 120 S C -0.313 174.340 174.600 0.087 0.000 1.292 120 S CA -0.494 57.777 58.200 0.119 0.000 1.010 120 S CB 0.844 64.094 63.200 0.083 0.000 0.944 120 S HN 0.113 8.481 8.310 0.098 0.000 0.536 121 I N 1.974 122.552 120.570 0.013 0.000 2.377 121 I HA 0.224 4.305 4.170 -0.148 0.000 0.293 121 I C -0.695 175.366 176.117 -0.094 0.000 0.987 121 I CA -1.631 59.575 61.300 -0.157 0.000 1.185 121 I CB 3.443 41.130 38.000 -0.521 0.000 1.341 121 I HN 0.221 8.458 8.210 0.046 0.000 0.455 122 S N 8.686 124.333 115.700 -0.087 0.000 2.572 122 S HA 0.159 4.610 4.470 -0.032 0.000 0.279 122 S C -0.236 174.333 174.600 -0.051 0.000 1.341 122 S CA 0.402 58.571 58.200 -0.051 0.000 1.043 122 S CB 0.463 63.638 63.200 -0.042 0.000 0.887 122 S HN 0.453 8.702 8.310 -0.102 0.000 0.516 123 L N 2.393 123.601 121.223 -0.025 0.000 2.418 123 L HA 0.204 4.542 4.340 -0.004 0.000 0.265 123 L C -1.106 175.759 176.870 -0.009 0.000 1.143 123 L CA -2.031 52.805 54.840 -0.007 0.000 0.809 123 L CB 0.279 42.342 42.059 0.006 0.000 1.124 123 L HN 0.092 8.310 8.230 -0.020 0.000 0.456 124 P HA -0.026 4.382 4.420 -0.020 0.000 0.269 124 P C -1.140 176.158 177.300 -0.005 0.000 1.215 124 P CA -0.007 63.089 63.100 -0.008 0.000 0.780 124 P CB 0.294 31.993 31.700 -0.001 0.000 0.898 128 c N 0.870 119.441 118.600 -0.049 0.000 2.656 128 c HA 0.043 4.567 4.570 -0.077 0.000 0.391 128 c C -0.115 173.915 174.090 -0.101 0.000 1.300 128 c CA -0.469 55.814 56.329 -0.076 0.000 2.302 128 c CB 0.422 42.888 42.510 -0.073 0.000 2.655 128 c HN 0.019 8.223 8.230 -0.043 0.000 0.656 129 A N 2.137 124.862 122.820 -0.158 0.000 2.282 129 A HA 0.074 4.319 4.320 -0.125 0.000 0.319 129 A C -1.499 175.977 177.584 -0.179 0.000 1.121 129 A CA -0.409 51.526 52.037 -0.170 0.000 0.836 129 A CB 1.773 20.643 19.000 -0.217 0.000 1.146 129 A HN 0.186 8.219 8.150 -0.196 0.000 0.494 133 G N 2.426 111.191 108.800 -0.058 0.000 2.225 133 G HA2 -0.330 3.605 3.960 -0.041 0.000 0.254 133 G HA3 -0.330 3.598 3.960 -0.053 0.000 0.254 133 G C 0.082 174.949 174.900 -0.055 0.000 0.988 133 G CA 0.156 45.225 45.100 -0.051 0.000 0.625 133 G HN 0.569 8.823 8.290 -0.060 0.000 0.527 134 T N 3.609 118.121 114.554 -0.070 0.000 2.928 134 T HA -0.166 4.152 4.350 -0.053 0.000 0.305 134 T C -0.583 174.080 174.700 -0.062 0.000 1.035 134 T CA 2.383 64.442 62.100 -0.068 0.000 1.145 134 T CB 0.434 69.247 68.868 -0.092 0.000 0.963 134 T HN -0.538 7.570 8.240 -0.081 0.083 0.545 135 Q N 4.463 124.240 119.800 -0.039 0.000 2.259 135 Q HA 0.105 4.542 4.340 -0.031 -0.116 0.249 135 Q C -0.924 175.063 176.000 -0.021 0.000 0.914 135 Q CA 0.198 55.988 55.803 -0.023 0.000 0.904 135 Q CB 1.534 30.275 28.738 0.005 0.000 1.213 135 Q HN 0.230 8.480 8.270 -0.033 0.000 0.428 136 c N 0.440 119.031 118.600 -0.015 0.000 2.971 136 c HA 0.635 5.336 4.570 -0.008 -0.135 0.310 136 c C -1.654 172.446 174.090 0.017 0.000 1.285 136 c CA -1.218 55.104 56.329 -0.012 0.000 1.593 136 c CB 4.325 46.811 42.510 -0.040 0.000 2.076 136 c HN 0.418 8.640 8.230 -0.014 0.000 0.472 137 L N 1.302 122.542 121.223 0.029 0.000 2.305 137 L HA 0.811 5.358 4.340 0.051 -0.177 0.284 137 L C -2.092 174.792 176.870 0.024 0.000 1.013 137 L CA -1.269 53.599 54.840 0.047 0.000 0.819 137 L CB 2.853 44.963 42.059 0.085 0.000 1.227 137 L HN 0.475 8.720 8.230 0.025 0.000 0.417 138 I N 7.320 127.886 120.570 -0.007 0.000 2.441 138 I HA 0.826 5.224 4.170 0.001 -0.227 0.295 138 I C -1.438 174.645 176.117 -0.057 0.000 0.994 138 I CA -1.806 59.484 61.300 -0.017 0.000 1.144 138 I CB 2.343 40.330 38.000 -0.022 0.000 1.314 138 I HN 0.633 8.840 8.210 -0.005 0.000 0.445 139 S N 2.883 118.546 115.700 -0.062 0.000 2.556 139 S HA 0.985 5.487 4.470 -0.223 -0.166 0.271 139 S C -1.242 173.251 174.600 -0.179 0.000 1.135 139 S CA -1.458 56.633 58.200 -0.181 0.000 0.858 139 S CB 3.992 67.048 63.200 -0.239 0.000 1.114 139 S HN -0.181 8.122 8.310 -0.012 0.000 0.468 140 G N -0.174 108.429 108.800 -0.328 0.000 2.316 140 G HA2 0.245 4.328 3.960 -0.063 0.000 0.296 140 G HA3 0.245 3.998 3.960 -0.347 0.000 0.296 140 G C -2.104 172.567 174.900 -0.382 0.000 1.399 140 G CA 0.665 45.596 45.100 -0.283 0.000 0.833 140 G HN 0.083 8.128 8.290 -0.408 0.000 0.565 141 W N 0.791 122.047 121.300 -0.073 0.000 3.194 141 W HA 0.368 4.970 4.660 -0.096 0.000 0.408 141 W C -0.009 176.539 176.519 0.047 0.000 1.072 141 W CA -0.886 56.379 57.345 -0.134 0.000 1.953 141 W CB 0.131 29.302 29.460 -0.481 0.000 1.091 141 W HN 0.541 8.868 8.180 0.244 0.000 0.699 142 G N 0.750 109.714 108.800 0.274 0.000 2.621 142 G HA2 -0.075 4.133 3.960 0.249 0.000 0.271 142 G HA3 -0.075 4.241 3.960 0.498 -0.057 0.271 142 G C -0.953 174.001 174.900 0.091 0.000 1.236 142 G CA -0.720 44.564 45.100 0.306 0.000 0.958 142 G HN -0.431 8.191 8.290 0.189 -0.218 0.512 143 N N -0.932 117.686 118.700 -0.137 0.000 2.353 143 N HA -0.329 4.043 4.740 -0.896 -0.169 0.248 143 N C 0.608 175.990 175.510 -0.214 0.000 1.240 143 N CA 1.017 53.749 53.050 -0.531 0.000 0.862 143 N CB 0.821 38.987 38.487 -0.534 0.000 1.086 143 N HN -0.060 8.341 8.380 0.035 0.000 0.453 144 T N -1.051 113.381 114.554 -0.203 0.000 3.069 144 T HA 0.199 4.721 4.350 -0.079 -0.219 0.252 144 T C 0.259 174.909 174.700 -0.084 0.000 1.053 144 T CA 0.251 62.289 62.100 -0.103 0.000 0.964 144 T CB 0.978 69.804 68.868 -0.071 0.000 1.005 144 T HN 0.219 8.297 8.240 -0.270 0.000 0.532 145 K N 1.922 122.257 120.400 -0.108 0.000 2.164 145 K HA 0.305 4.597 4.320 -0.048 0.000 0.258 145 K C -1.067 175.506 176.600 -0.045 0.000 0.951 145 K CA -1.591 54.657 56.287 -0.066 0.000 0.844 145 K CB 1.226 33.686 32.500 -0.067 0.000 1.099 145 K HN -0.452 7.955 8.250 -0.160 -0.252 0.435 146 S N 2.021 117.708 115.700 -0.021 0.000 2.478 146 S HA -0.069 4.399 4.470 -0.003 0.000 0.222 146 S C -0.479 174.121 174.600 -0.000 0.000 1.008 146 S CA 1.262 59.459 58.200 -0.005 0.000 0.928 146 S CB 0.704 63.906 63.200 0.004 0.000 0.781 146 S HN 0.158 8.457 8.310 -0.019 0.000 0.518 147 S N 0.044 115.742 115.700 -0.004 0.000 2.561 147 S HA 0.254 4.727 4.470 0.005 0.000 0.303 147 S C -0.431 174.166 174.600 -0.005 0.000 1.110 147 S CA -0.356 57.844 58.200 0.001 0.000 1.034 147 S CB 1.579 64.782 63.200 0.004 0.000 1.010 147 S HN -0.521 7.784 8.310 -0.008 0.000 0.482 148 G N 5.024 113.824 108.800 0.000 0.000 2.582 148 G HA2 -0.148 3.809 3.960 -0.005 0.000 0.222 148 G HA3 -0.148 3.817 3.960 0.009 0.000 0.222 148 G C -1.873 173.016 174.900 -0.019 0.000 1.311 148 G CA -0.162 44.937 45.100 -0.001 0.000 0.915 148 G HN -0.059 8.235 8.290 0.006 0.000 0.528 149 T N 0.156 114.697 114.554 -0.021 0.000 3.032 149 T HA 0.051 4.486 4.350 -0.147 -0.173 0.312 149 T C -1.353 173.305 174.700 -0.069 0.000 1.078 149 T CA -0.301 61.762 62.100 -0.062 0.000 1.028 149 T CB 2.636 71.543 68.868 0.065 0.000 1.091 149 T HN -0.072 8.165 8.240 -0.006 0.000 0.457 150 S N 7.097 122.678 115.700 -0.200 0.000 2.652 150 S HA 0.335 4.814 4.470 0.015 0.000 0.273 150 S C -2.499 171.971 174.600 -0.216 0.000 1.172 150 S CA 0.548 58.690 58.200 -0.097 0.000 1.009 150 S CB 2.021 65.191 63.200 -0.050 0.000 1.094 150 S HN 0.592 8.998 8.310 -0.366 -0.315 0.471 151 Y N 5.055 125.386 120.300 0.052 0.000 2.331 151 Y HA 0.270 4.865 4.550 0.075 0.000 0.338 151 Y C -1.395 174.546 175.900 0.068 0.000 0.992 151 Y CA -2.946 55.195 58.100 0.069 0.000 1.121 151 Y CB 1.171 39.678 38.460 0.080 0.000 1.184 151 Y HN 0.161 8.582 8.280 0.235 0.000 0.469 152 P HA 0.202 4.693 4.420 0.119 0.000 0.279 152 P C -1.364 176.063 177.300 0.212 0.000 1.252 152 P CA -0.803 62.389 63.100 0.154 0.000 0.811 152 P CB 1.668 33.427 31.700 0.099 0.000 1.035 153 D N -1.578 118.924 120.400 0.171 0.000 2.277 153 D HA -0.065 4.658 4.640 0.138 0.000 0.209 153 D C -1.132 175.340 176.300 0.285 0.000 0.970 153 D CA 1.149 55.248 54.000 0.166 0.000 0.874 153 D CB 1.050 41.907 40.800 0.095 0.000 0.982 153 D HN 0.368 8.819 8.370 0.135 0.000 0.504 154 V N -7.374 112.687 119.914 0.244 0.000 2.837 154 V HA 0.367 4.904 4.120 0.361 -0.201 0.310 154 V C -0.949 175.180 176.094 0.059 0.000 1.059 154 V CA -2.773 59.668 62.300 0.235 0.000 1.004 154 V CB 1.584 33.468 31.823 0.103 0.000 1.045 154 V HN -0.862 7.431 8.190 0.172 0.000 0.465 155 L N 1.700 122.830 121.223 -0.155 0.000 2.416 155 L HA -0.025 3.525 4.340 -1.317 0.000 0.272 155 L C -0.594 176.006 176.870 -0.450 0.000 1.161 155 L CA 0.665 55.068 54.840 -0.729 0.000 0.845 155 L CB 0.882 42.480 42.059 -0.768 0.000 1.119 155 L HN -0.186 8.256 8.230 0.009 -0.207 0.464 156 K N 4.708 124.818 120.400 -0.482 0.000 2.208 156 K HA 0.640 4.905 4.320 -0.343 -0.151 0.247 156 K C -1.152 175.188 176.600 -0.433 0.000 0.953 156 K CA -2.534 53.533 56.287 -0.366 0.000 0.837 156 K CB 2.577 34.931 32.500 -0.243 0.000 1.131 156 K HN -0.215 7.675 8.250 -0.600 0.000 0.431 157 c N -0.689 117.565 118.600 -0.577 0.000 2.802 157 c HA 0.904 5.385 4.570 -0.427 -0.167 0.307 157 c C -1.944 171.781 174.090 -0.608 0.000 1.222 157 c CA -0.627 55.306 56.329 -0.661 0.000 1.580 157 c CB 3.730 45.665 42.510 -0.959 0.000 2.119 157 c HN 0.434 8.278 8.230 -0.642 0.000 0.479 158 L N 0.521 121.591 121.223 -0.256 0.000 2.493 158 L HA 0.396 4.770 4.340 0.055 0.000 0.265 158 L C -2.411 174.519 176.870 0.100 0.000 0.954 158 L CA -0.031 54.802 54.840 -0.012 0.000 0.844 158 L CB 4.452 46.527 42.059 0.025 0.000 1.302 158 L HN 0.664 8.770 8.230 -0.206 0.000 0.405 159 K N 6.650 127.180 120.400 0.216 0.000 2.227 159 K HA 0.750 5.370 4.320 0.137 -0.218 0.280 159 K C -0.889 175.843 176.600 0.221 0.000 1.041 159 K CA -1.244 55.156 56.287 0.187 0.000 0.905 159 K CB 0.346 32.961 32.500 0.192 0.000 1.068 159 K HN 0.269 8.691 8.250 0.286 0.000 0.470 160 A N 3.284 126.174 122.820 0.117 0.000 2.547 160 A HA 0.595 4.950 4.320 0.058 0.000 0.297 160 A C -3.444 174.083 177.584 -0.096 0.000 1.056 160 A CA -2.184 49.867 52.037 0.024 0.000 0.688 160 A CB 2.861 21.876 19.000 0.025 0.000 1.282 160 A HN 0.513 8.705 8.150 0.070 0.000 0.400 161 P HA 0.565 5.132 4.420 -0.096 -0.205 0.284 161 P C -0.726 176.504 177.300 -0.118 0.000 1.258 161 P CA -1.455 61.556 63.100 -0.147 0.000 0.824 161 P CB 1.296 32.898 31.700 -0.164 0.000 1.038 162 I N 0.732 121.259 120.570 -0.071 0.000 2.618 162 I HA -0.172 4.160 4.170 0.077 -0.116 0.284 162 I C 0.357 176.463 176.117 -0.018 0.000 1.146 162 I CA 1.266 62.555 61.300 -0.018 0.000 1.425 162 I CB -0.257 37.667 38.000 -0.127 0.000 1.383 162 I HN -0.106 8.054 8.210 -0.083 0.000 0.562 163 L N 6.712 127.959 121.223 0.039 0.000 2.399 163 L HA 0.221 4.553 4.340 -0.013 0.000 0.265 163 L C -0.237 176.654 176.870 0.035 0.000 1.089 163 L CA -0.927 53.925 54.840 0.021 0.000 0.802 163 L CB 0.955 43.034 42.059 0.034 0.000 1.180 163 L HN -0.065 8.229 8.230 0.107 0.000 0.454 164 S N -0.686 115.026 115.700 0.019 0.000 2.568 164 S HA -0.092 4.386 4.470 0.014 0.000 0.282 164 S C 0.688 175.316 174.600 0.045 0.000 1.338 164 S CA -0.594 57.619 58.200 0.022 0.000 1.045 164 S CB 1.217 64.424 63.200 0.013 0.000 0.873 164 S HN 0.211 8.527 8.310 0.009 0.000 0.516 165 D N 2.627 123.054 120.400 0.046 0.000 2.178 165 D HA -0.251 4.441 4.640 0.088 0.000 0.201 165 D C 1.949 178.284 176.300 0.058 0.000 0.980 165 D CA 3.675 57.714 54.000 0.066 0.000 0.842 165 D CB -0.403 40.433 40.800 0.059 0.000 0.948 165 D HN 0.458 8.848 8.370 0.033 0.000 0.472 166 S N -1.524 114.200 115.700 0.041 0.000 2.383 166 S HA -0.134 4.361 4.470 0.041 0.000 0.227 166 S C 2.498 177.118 174.600 0.034 0.000 1.026 166 S CA 3.075 61.297 58.200 0.036 0.000 0.981 166 S CB -0.620 62.594 63.200 0.024 0.000 0.818 166 S HN 0.131 8.450 8.310 0.033 0.011 0.472 167 S N 4.057 119.776 115.700 0.031 0.000 2.368 167 S HA -0.239 4.239 4.470 0.013 0.000 0.225 167 S C 1.681 176.301 174.600 0.034 0.000 1.030 167 S CA 3.848 62.062 58.200 0.023 0.000 0.999 167 S CB -0.635 62.576 63.200 0.018 0.000 0.844 167 S HN -0.484 7.844 8.310 0.030 0.000 0.459 168 c N 3.279 121.918 118.600 0.066 0.000 2.432 168 c HA -0.344 4.297 4.570 0.118 0.000 0.277 168 c C 1.683 175.859 174.090 0.143 0.000 1.249 168 c CA 2.615 59.012 56.329 0.113 0.000 1.725 168 c CB -1.744 40.839 42.510 0.121 0.000 2.028 168 c HN -0.269 8.001 8.230 0.066 0.000 0.477 169 K N -1.052 119.416 120.400 0.112 0.000 2.148 169 K HA -0.321 4.096 4.320 0.161 0.000 0.204 169 K C 2.341 178.991 176.600 0.083 0.000 1.050 169 K CA 3.217 59.574 56.287 0.117 0.000 0.942 169 K CB -0.256 32.298 32.500 0.089 0.000 0.724 169 K HN -0.213 8.093 8.250 0.093 0.000 0.446 170 S N -1.064 114.661 115.700 0.042 0.000 2.402 170 S HA -0.149 4.330 4.470 0.015 0.000 0.229 170 S C 1.202 175.776 174.600 -0.043 0.000 1.021 170 S CA 2.607 60.811 58.200 0.007 0.000 0.974 170 S CB -0.490 62.708 63.200 -0.003 0.000 0.800 170 S HN -0.331 8.004 8.310 0.042 0.000 0.484 171 A N -0.616 122.148 122.820 -0.093 0.000 1.929 171 A HA -0.108 4.047 4.320 -0.275 0.000 0.216 171 A C -0.517 176.779 177.584 -0.481 0.000 1.176 171 A CA 1.902 53.746 52.037 -0.321 0.000 0.628 171 A CB 1.277 20.020 19.000 -0.429 0.000 0.816 171 A HN -0.579 7.428 8.150 -0.042 0.117 0.444 172 Y N -6.003 114.333 120.300 0.060 0.000 2.470 172 Y HA 0.489 5.114 4.550 0.126 0.000 0.352 172 Y C -2.599 173.369 175.900 0.112 0.000 0.967 172 Y CA -3.122 55.051 58.100 0.120 0.000 1.121 172 Y CB 0.069 38.648 38.460 0.199 0.000 1.149 172 Y HN -0.705 7.619 8.280 0.074 0.000 0.641 173 P HA -0.051 4.544 4.420 0.113 -0.107 0.266 173 P C 0.919 178.294 177.300 0.124 0.000 1.195 173 P CA 0.861 64.032 63.100 0.118 0.000 0.768 173 P CB 0.158 31.898 31.700 0.068 0.000 0.838 174 G N 3.155 112.015 108.800 0.100 0.000 2.184 174 G HA2 -0.363 3.633 3.960 0.059 0.000 0.264 174 G HA3 -0.363 3.633 3.960 0.060 0.000 0.264 174 G C 0.063 175.013 174.900 0.083 0.000 0.975 174 G CA 0.674 45.819 45.100 0.074 0.000 0.642 174 G HN 0.526 8.873 8.290 0.095 0.000 0.536 175 Q N -2.243 117.645 119.800 0.146 0.000 2.211 175 Q HA 0.124 4.497 4.340 0.054 0.000 0.242 175 Q C -0.559 175.579 176.000 0.229 0.000 0.825 175 Q CA -0.387 55.505 55.803 0.148 0.000 0.951 175 Q CB 1.906 30.774 28.738 0.217 0.000 1.130 175 Q HN -0.520 7.808 8.270 0.187 0.055 0.496 176 I N 0.254 120.958 120.570 0.223 0.000 2.331 176 I HA 0.022 4.347 4.170 0.258 0.000 0.292 176 I C -0.002 176.199 176.117 0.140 0.000 0.998 176 I CA -1.690 59.734 61.300 0.206 0.000 1.267 176 I CB -0.680 37.428 38.000 0.180 0.000 1.386 176 I HN -0.442 7.889 8.210 0.202 0.000 0.476 177 T N 2.685 117.320 114.554 0.135 0.000 2.910 177 T HA 0.261 4.659 4.350 0.080 0.000 0.279 177 T C 1.171 175.929 174.700 0.096 0.000 0.989 177 T CA -2.008 60.150 62.100 0.096 0.000 0.968 177 T CB 2.768 71.684 68.868 0.081 0.000 1.135 177 T HN -0.447 7.891 8.240 0.163 0.000 0.562 178 S N -2.024 113.718 115.700 0.069 0.000 2.500 178 S HA -0.204 4.307 4.470 0.067 0.000 0.239 178 S C 0.968 175.614 174.600 0.076 0.000 0.989 178 S CA 2.341 60.577 58.200 0.060 0.000 0.951 178 S CB -0.593 62.621 63.200 0.024 0.000 0.759 178 S HN 0.295 8.638 8.310 0.055 0.000 0.523 179 N N 1.497 120.258 118.700 0.101 0.000 2.276 179 N HA 0.209 5.026 4.740 0.129 0.000 0.212 179 N C -1.558 174.086 175.510 0.224 0.000 1.127 179 N CA -0.263 52.882 53.050 0.159 0.000 0.834 179 N CB 0.669 39.272 38.487 0.193 0.000 1.014 179 N HN -0.500 7.868 8.380 0.097 0.070 0.491 180 M N -1.279 118.439 119.600 0.197 0.000 2.572 180 M HA 0.735 5.495 4.480 0.142 -0.195 0.299 180 M C -2.288 174.154 176.300 0.237 0.000 1.205 180 M CA -0.301 55.097 55.300 0.164 0.000 0.876 180 M CB 4.984 37.654 32.600 0.116 0.000 1.728 180 M HN -0.773 7.534 8.290 0.174 0.088 0.458 181 F N -4.625 115.370 119.950 0.074 0.000 2.643 181 F HA 0.643 5.198 4.527 0.048 0.000 0.314 181 F C -2.349 173.502 175.800 0.085 0.000 1.096 181 F CA -1.929 56.110 58.000 0.065 0.000 0.953 181 F CB 2.312 41.350 39.000 0.062 0.000 1.345 181 F HN 0.240 8.462 8.300 -0.131 0.000 0.468 182 c N -0.824 117.919 118.600 0.237 0.000 2.451 182 c HA 1.042 5.838 4.570 0.059 -0.190 0.391 182 c C 0.757 175.025 174.090 0.297 0.000 1.286 182 c CA -0.788 55.635 56.329 0.157 0.000 1.935 182 c CB 2.669 45.243 42.510 0.108 0.000 2.188 182 c HN 0.707 9.124 8.230 0.312 0.000 0.523 183 G N 0.289 109.022 108.800 -0.110 0.000 2.475 183 G HA2 -0.262 3.725 3.960 0.046 0.055 0.223 183 G HA3 -0.262 3.609 3.960 -0.149 0.000 0.223 183 G C -2.557 172.047 174.900 -0.493 0.000 1.201 183 G CA 0.010 45.017 45.100 -0.155 0.000 0.962 183 G HN -0.018 8.156 8.290 -0.193 0.000 0.586 184 Y N -0.666 119.666 120.300 0.053 0.000 2.331 184 Y HA 0.277 4.847 4.550 0.034 0.000 0.326 184 Y C 0.181 176.097 175.900 0.027 0.000 1.020 184 Y CA -1.111 57.010 58.100 0.036 0.000 1.136 184 Y CB 1.408 39.887 38.460 0.031 0.000 1.157 184 Y HN 0.139 8.523 8.280 0.173 0.000 0.444 185 L N 3.017 124.310 121.223 0.117 0.000 2.191 185 L HA -0.338 4.032 4.340 0.051 0.000 0.212 185 L C 1.464 178.379 176.870 0.075 0.000 1.103 185 L CA 2.763 57.644 54.840 0.068 0.000 0.769 185 L CB -0.285 41.794 42.059 0.033 0.000 0.908 185 L HN 0.614 8.898 8.230 0.091 0.000 0.438 186 E N -1.442 118.822 120.200 0.106 0.000 2.005 186 E HA -0.189 4.189 4.350 0.047 0.000 0.191 186 E C 1.602 178.236 176.600 0.057 0.000 0.987 186 E CA 1.788 58.228 56.400 0.067 0.000 0.814 186 E CB -0.040 29.697 29.700 0.061 0.000 0.772 186 E HN 0.079 8.502 8.360 0.148 0.026 0.453 187 G N 0.053 108.866 108.800 0.022 0.000 2.255 187 G HA2 -0.270 3.672 3.960 -0.031 0.000 0.196 187 G HA3 -0.270 3.688 3.960 -0.004 0.000 0.196 187 G C -1.880 173.013 174.900 -0.011 0.000 0.998 187 G CA -0.009 45.086 45.100 -0.008 0.000 0.656 187 G HN 0.148 8.343 8.290 0.033 0.115 0.490 188 K N -0.204 120.213 120.400 0.030 0.000 2.541 188 K HA 0.786 5.376 4.320 0.035 -0.249 0.250 188 K C -1.840 174.857 176.600 0.162 0.000 0.950 188 K CA -0.972 55.353 56.287 0.063 0.000 0.805 188 K CB 3.415 35.898 32.500 -0.028 0.000 1.166 188 K HN -0.400 7.889 8.250 0.066 0.000 0.430 189 D N 3.020 123.495 120.400 0.125 0.000 2.755 189 D HA 0.205 4.952 4.640 0.178 0.000 0.277 189 D C -1.972 174.393 176.300 0.108 0.000 1.261 189 D CA -0.508 53.574 54.000 0.136 0.000 0.759 189 D CB 3.790 44.653 40.800 0.105 0.000 1.279 189 D HN 0.110 8.535 8.370 0.091 0.000 0.420 190 S N -1.332 114.449 115.700 0.135 0.000 2.632 190 S HA 0.317 4.934 4.470 0.094 -0.090 0.267 190 S C -1.627 173.015 174.600 0.070 0.000 1.276 190 S CA -0.385 57.882 58.200 0.112 0.000 0.998 190 S CB 0.886 64.190 63.200 0.173 0.000 0.953 190 S HN 0.227 8.642 8.310 0.175 0.000 0.547 191 C N -0.326 119.020 119.300 0.076 0.000 3.335 191 C HA 0.336 4.834 4.460 0.063 0.000 0.356 191 C C -1.394 173.670 174.990 0.125 0.000 1.570 191 C CA -0.713 58.348 59.018 0.072 0.000 1.271 191 C CB 3.285 31.044 27.740 0.032 0.000 1.873 191 C HN 0.371 8.981 8.230 0.091 -0.326 0.439 192 Q N 1.945 121.832 119.800 0.144 0.000 2.269 192 Q HA -0.325 4.142 4.340 0.213 0.000 0.300 192 Q C 0.831 177.037 176.000 0.344 0.000 1.070 192 Q CA 2.159 58.100 55.803 0.230 0.000 0.957 192 Q CB 0.494 29.382 28.738 0.249 0.000 1.131 192 Q HN 0.664 9.001 8.270 0.111 0.000 0.377 193 G N 6.326 115.327 108.800 0.335 0.000 2.213 193 G HA2 -0.381 3.888 3.960 0.515 0.000 0.236 193 G HA3 -0.381 3.788 3.960 0.349 0.000 0.236 193 G C 0.373 175.520 174.900 0.412 0.000 0.991 193 G CA 0.754 46.099 45.100 0.408 0.000 0.629 193 G HN 0.888 9.352 8.290 0.290 0.000 0.517 194 D N 1.263 121.838 120.400 0.291 0.000 2.323 194 D HA -0.004 4.790 4.640 0.257 0.000 0.209 194 D C 0.177 176.599 176.300 0.203 0.000 0.973 194 D CA 1.362 55.501 54.000 0.231 0.000 0.874 194 D CB 0.365 41.262 40.800 0.162 0.000 0.930 194 D HN -0.100 8.341 8.370 0.262 0.086 0.521 195 S N -0.721 115.105 115.700 0.211 0.000 2.715 195 S HA -0.403 4.341 4.470 0.238 -0.131 0.318 195 S C 1.103 175.745 174.600 0.071 0.000 1.242 195 S CA 2.530 60.851 58.200 0.201 0.000 1.044 195 S CB -0.462 62.929 63.200 0.317 0.000 0.760 195 S HN -0.158 8.247 8.310 0.235 0.045 0.501 196 G N 4.948 113.772 108.800 0.040 0.000 2.253 196 G HA2 -0.444 3.600 3.960 -0.054 0.000 0.251 196 G HA3 -0.444 3.572 3.960 -0.022 -0.069 0.251 196 G C -0.353 174.589 174.900 0.071 0.000 0.998 196 G CA 0.370 45.469 45.100 -0.002 0.000 0.621 196 G HN 0.470 8.814 8.290 0.090 0.000 0.524 197 G N 0.678 109.547 108.800 0.115 0.000 2.588 197 G HA2 0.407 4.448 3.960 0.136 0.000 0.281 197 G HA3 0.407 4.515 3.960 0.134 -0.068 0.281 197 G C -2.693 172.295 174.900 0.148 0.000 1.236 197 G CA -2.147 43.034 45.100 0.135 0.000 0.969 197 G HN -0.427 7.853 8.290 0.126 0.085 0.504 198 P HA 0.203 4.711 4.420 0.146 0.000 0.282 198 P C -1.550 175.820 177.300 0.116 0.000 1.249 198 P CA -0.755 62.444 63.100 0.165 0.000 0.806 198 P CB 1.414 33.289 31.700 0.292 0.000 0.984 199 V N 2.522 122.483 119.914 0.079 0.000 2.326 199 V HA 0.320 4.604 4.120 -0.009 -0.170 0.281 199 V C -0.891 175.219 176.094 0.027 0.000 1.015 199 V CA -1.394 60.914 62.300 0.013 0.000 0.823 199 V CB 0.449 32.231 31.823 -0.068 0.000 1.009 199 V HN -0.015 8.233 8.190 0.098 0.000 0.436 200 V N 8.809 128.733 119.914 0.016 0.000 2.417 200 V HA 0.494 4.775 4.120 -0.054 -0.194 0.291 200 V C -1.318 174.763 176.094 -0.020 0.000 1.024 200 V CA -1.023 61.261 62.300 -0.028 0.000 0.861 200 V CB 2.436 34.223 31.823 -0.060 0.000 0.985 200 V HN 0.504 8.714 8.190 0.034 0.000 0.436 201 c N 6.348 124.922 118.600 -0.043 0.000 2.431 201 c HA 0.520 5.072 4.570 -0.030 0.000 0.321 201 c C 0.744 174.806 174.090 -0.047 0.000 1.202 201 c CA -1.528 54.774 56.329 -0.045 0.000 1.398 201 c CB 1.444 43.909 42.510 -0.075 0.000 2.047 201 c HN 0.512 8.710 8.230 -0.054 0.000 0.465 202 S N 3.203 118.884 115.700 -0.032 0.000 3.549 202 S HA -0.329 4.130 4.470 -0.018 0.000 0.366 202 S C 0.204 174.785 174.600 -0.031 0.000 1.012 202 S CA 1.052 59.235 58.200 -0.028 0.000 1.141 202 S CB -1.947 61.233 63.200 -0.034 0.000 0.910 202 S HN 1.218 9.514 8.310 -0.023 0.000 0.471 203 G N -3.383 105.397 108.800 -0.034 0.000 2.162 203 G HA2 -0.452 3.487 3.960 -0.034 0.000 0.260 203 G HA3 -0.452 3.479 3.960 -0.047 0.000 0.260 203 G C -1.340 173.511 174.900 -0.082 0.000 0.976 203 G CA 0.234 45.305 45.100 -0.048 0.000 0.655 203 G HN 0.264 8.521 8.290 -0.027 0.017 0.533 210 Q N 0.786 120.608 119.800 0.036 0.000 2.391 210 Q HA 0.219 4.594 4.340 0.058 0.000 0.211 210 Q C -0.303 175.852 176.000 0.258 0.000 0.908 210 Q CA 0.369 56.212 55.803 0.067 0.000 0.920 210 Q CB 2.482 31.179 28.738 -0.069 0.000 1.056 210 Q HN 0.282 8.563 8.270 0.019 0.000 0.523 211 G N -3.154 105.818 108.800 0.288 0.000 2.694 211 G HA2 0.635 4.862 3.960 0.445 0.000 0.290 211 G HA3 0.635 5.114 3.960 0.442 -0.255 0.290 211 G C -3.170 171.858 174.900 0.213 0.000 1.386 211 G CA -0.697 44.625 45.100 0.370 0.000 0.872 211 G HN -0.388 8.015 8.290 0.188 0.000 0.475 212 I N -0.825 119.871 120.570 0.210 0.000 2.498 212 I HA 0.617 5.102 4.170 0.176 -0.209 0.290 212 I C -0.341 175.919 176.117 0.240 0.000 1.032 212 I CA -1.575 59.835 61.300 0.184 0.000 1.073 212 I CB 4.283 42.353 38.000 0.117 0.000 1.251 212 I HN -0.392 7.943 8.210 0.208 0.000 0.426 213 V N 6.463 126.533 119.914 0.260 0.000 2.475 213 V HA -0.247 3.974 4.120 0.169 0.000 0.292 213 V C -0.854 175.303 176.094 0.104 0.000 1.003 213 V CA 1.651 64.064 62.300 0.188 0.000 1.120 213 V CB -1.801 30.145 31.823 0.205 0.000 0.937 213 V HN 0.156 8.484 8.190 0.231 0.000 0.476 214 S N 9.162 124.817 115.700 -0.076 0.000 2.979 214 S HA 0.351 5.040 4.470 0.366 0.000 0.243 214 S C -1.362 173.311 174.600 0.121 0.000 1.036 214 S CA 0.096 58.374 58.200 0.131 0.000 0.846 214 S CB 2.745 66.014 63.200 0.115 0.000 0.806 214 S HN 0.066 8.151 8.310 -0.375 0.000 0.568 215 W N -3.456 117.660 121.300 -0.306 0.000 2.895 215 W HA 0.285 4.793 4.660 -0.254 0.000 0.377 215 W C -3.099 173.220 176.519 -0.333 0.000 1.191 215 W CA -0.687 56.479 57.345 -0.298 0.000 1.179 215 W CB 1.024 30.309 29.460 -0.292 0.000 1.469 215 W HN -0.146 7.737 8.180 -0.496 0.000 0.577 216 G N -3.103 105.700 108.800 0.005 0.000 2.342 216 G HA2 0.030 3.894 3.960 -0.159 0.000 0.297 216 G HA3 0.030 3.654 3.960 -0.559 0.000 0.297 216 G C -2.349 172.682 174.900 0.218 0.000 1.313 216 G CA 0.187 45.206 45.100 -0.135 0.000 0.830 216 G HN -0.135 8.319 8.290 0.274 0.000 0.506 220 A N 2.194 125.047 122.820 0.054 0.000 2.474 220 A HA -0.393 3.971 4.320 0.073 0.000 0.349 220 A C -0.184 177.427 177.584 0.044 0.000 1.515 220 A CA 0.937 53.006 52.037 0.055 0.000 1.223 220 A CB -0.751 18.272 19.000 0.038 0.000 0.828 220 A HN -0.140 8.393 8.150 0.062 -0.346 0.391 221 Q N -2.461 117.365 119.800 0.043 0.000 2.260 221 Q HA 0.072 4.427 4.340 0.026 0.000 0.242 221 Q C 0.472 176.488 176.000 0.027 0.000 0.932 221 Q CA -1.785 54.037 55.803 0.031 0.000 0.891 221 Q CB 1.482 30.237 28.738 0.029 0.000 1.222 221 Q HN -0.107 8.192 8.270 0.050 0.000 0.453 222 K N 2.912 123.322 120.400 0.016 0.000 2.484 222 K HA -0.436 4.044 4.320 0.022 -0.147 0.280 222 K C 0.174 176.765 176.600 -0.014 0.000 1.013 222 K CA 1.493 57.786 56.287 0.010 0.000 1.029 222 K CB 0.018 32.521 32.500 0.005 0.000 0.902 222 K HN 0.303 8.562 8.250 0.015 0.000 0.481 223 N N 2.637 121.325 118.700 -0.020 0.000 2.753 223 N HA -0.450 4.258 4.740 -0.054 0.000 0.251 223 N C -1.675 173.753 175.510 -0.136 0.000 1.097 223 N CA 1.961 54.972 53.050 -0.065 0.000 0.786 223 N CB -0.827 37.619 38.487 -0.069 0.000 1.137 223 N HN 0.595 8.976 8.380 0.001 0.000 0.566 224 K N -1.698 118.653 120.400 -0.082 0.000 2.842 224 K HA 0.511 4.644 4.320 -0.312 0.000 0.176 224 K C -2.576 174.063 176.600 0.065 0.000 1.080 224 K CA -3.364 52.865 56.287 -0.097 0.000 0.954 224 K CB 0.689 33.175 32.500 -0.023 0.000 1.203 224 K HN -0.699 7.481 8.250 -0.028 0.053 0.611 225 P HA 0.000 4.478 4.420 0.096 0.000 0.274 225 P C -0.496 176.847 177.300 0.072 0.000 1.246 225 P CA -0.687 62.474 63.100 0.102 0.000 0.795 225 P CB 1.076 32.829 31.700 0.087 0.000 1.006 226 G N -2.708 106.098 108.800 0.009 0.000 2.491 226 G HA2 0.025 3.889 3.960 -0.265 0.000 0.238 226 G HA3 0.025 3.763 3.960 -0.369 0.000 0.238 226 G C -1.028 173.530 174.900 -0.570 0.000 1.277 226 G CA -0.282 44.642 45.100 -0.293 0.000 0.851 226 G HN -0.284 8.133 8.290 0.092 -0.072 0.573 227 V N 1.853 121.106 119.914 -1.102 0.000 2.513 227 V HA 0.525 4.327 4.120 -0.809 -0.168 0.299 227 V C -0.867 174.442 176.094 -1.308 0.000 1.035 227 V CA -2.201 59.383 62.300 -1.193 0.000 0.889 227 V CB 1.356 32.062 31.823 -1.861 0.000 0.988 227 V HN 0.172 7.690 8.190 -1.120 0.000 0.440 228 Y N 4.743 124.636 120.300 -0.679 0.000 2.477 228 Y HA 0.486 4.960 4.550 -0.386 -0.156 0.347 228 Y C 0.121 175.756 175.900 -0.442 0.000 0.981 228 Y CA -1.973 55.747 58.100 -0.632 0.000 1.033 228 Y CB 4.053 41.853 38.460 -1.100 0.000 1.245 228 Y HN 0.816 8.687 8.280 -0.681 0.000 0.455 229 T N 5.327 119.875 114.554 -0.010 0.000 2.888 229 T HA -0.046 4.524 4.350 0.133 -0.140 0.301 229 T C -0.518 174.353 174.700 0.286 0.000 1.001 229 T CA 1.705 63.877 62.100 0.121 0.000 1.147 229 T CB 0.315 69.232 68.868 0.082 0.000 0.931 229 T HN 0.248 8.503 8.240 0.025 0.000 0.541 230 K N 8.543 129.189 120.400 0.411 0.000 2.150 230 K HA 0.060 4.791 4.320 0.684 0.000 0.261 230 K C 1.074 177.933 176.600 0.432 0.000 1.127 230 K CA -0.591 55.997 56.287 0.502 0.000 0.989 230 K CB -0.287 32.447 32.500 0.391 0.000 1.475 230 K HN 0.103 8.477 8.250 0.372 0.099 0.391 231 V N 5.267 125.415 119.914 0.389 0.000 2.469 231 V HA -0.439 3.981 4.120 0.501 0.000 0.251 231 V C 1.572 177.835 176.094 0.282 0.000 1.064 231 V CA 3.408 65.929 62.300 0.369 0.000 1.066 231 V CB -0.858 31.109 31.823 0.241 0.000 0.667 231 V HN 0.291 8.717 8.190 0.393 0.000 0.461 232 c N -3.205 115.486 118.600 0.152 0.000 2.419 232 c HA -0.253 4.360 4.570 0.073 0.000 0.283 232 c C 2.030 176.130 174.090 0.017 0.000 1.373 232 c CA 1.731 58.100 56.329 0.066 0.000 1.781 232 c CB -1.971 40.545 42.510 0.010 0.000 1.886 232 c HN 0.467 8.731 8.230 0.147 0.054 0.520 233 N N 1.248 119.911 118.700 -0.062 0.000 2.459 233 N HA -0.131 4.490 4.740 -0.199 0.000 0.181 233 N C 0.528 175.777 175.510 -0.435 0.000 1.046 233 N CA 1.572 54.437 53.050 -0.309 0.000 0.904 233 N CB -0.266 37.912 38.487 -0.515 0.000 0.964 233 N HN -0.415 7.929 8.380 0.004 0.038 0.444 234 Y N -4.951 115.427 120.300 0.130 0.000 2.481 234 Y HA 0.147 4.854 4.550 0.261 0.000 0.247 234 Y C 0.223 176.280 175.900 0.261 0.000 1.151 234 Y CA -0.341 57.902 58.100 0.239 0.000 1.238 234 Y CB -0.021 38.608 38.460 0.281 0.000 1.179 234 Y HN -0.302 7.871 8.280 0.129 0.184 0.524 235 V N 1.097 121.148 119.914 0.228 0.000 2.343 235 V HA -0.570 3.646 4.120 0.160 0.000 0.247 235 V C 1.591 177.754 176.094 0.116 0.000 1.051 235 V CA 5.242 67.631 62.300 0.149 0.000 1.036 235 V CB -0.538 31.331 31.823 0.077 0.000 0.654 235 V HN -0.727 7.559 8.190 0.159 0.000 0.451 236 S N 0.368 116.142 115.700 0.124 0.000 2.353 236 S HA -0.300 4.199 4.470 0.049 0.000 0.222 236 S C 1.710 176.389 174.600 0.132 0.000 1.035 236 S CA 3.668 61.926 58.200 0.098 0.000 1.025 236 S CB -0.674 62.582 63.200 0.092 0.000 0.902 236 S HN 0.166 8.548 8.310 0.120 0.000 0.440 237 W N 1.980 123.317 121.300 0.062 0.000 2.338 237 W HA -0.320 4.355 4.660 0.026 0.000 0.304 237 W C 1.440 177.964 176.519 0.008 0.000 1.212 237 W CA 3.416 60.799 57.345 0.064 0.000 1.264 237 W CB -0.203 29.371 29.460 0.191 0.000 1.142 237 W HN -0.306 8.126 8.180 0.421 0.000 0.512 238 I N -1.105 119.418 120.570 -0.078 0.000 2.142 238 I HA -0.742 2.939 4.170 -0.815 0.000 0.240 238 I C 1.954 177.810 176.117 -0.435 0.000 1.078 238 I CA 4.468 65.524 61.300 -0.405 0.000 1.343 238 I CB -0.222 37.716 38.000 -0.103 0.000 1.046 238 I HN 0.116 8.470 8.210 0.240 0.000 0.405 239 K N -1.053 119.208 120.400 -0.232 0.000 2.097 239 K HA -0.378 3.788 4.320 -0.256 0.000 0.205 239 K C 2.809 179.261 176.600 -0.248 0.000 1.050 239 K CA 3.698 59.853 56.287 -0.220 0.000 0.938 239 K CB -0.277 32.156 32.500 -0.112 0.000 0.718 239 K HN -0.264 7.907 8.250 -0.131 0.000 0.442 240 Q N -2.178 117.490 119.800 -0.219 0.000 2.079 240 Q HA -0.305 3.947 4.340 -0.147 0.000 0.200 240 Q C 2.474 178.303 176.000 -0.284 0.000 0.974 240 Q CA 3.360 59.048 55.803 -0.191 0.000 0.840 240 Q CB -0.084 28.591 28.738 -0.105 0.000 0.898 240 Q HN -0.234 7.926 8.270 -0.184 0.000 0.430 241 T N 1.587 115.850 114.554 -0.484 0.000 2.708 241 T HA -0.260 3.853 4.350 -0.394 0.000 0.266 241 T C 2.270 176.627 174.700 -0.572 0.000 1.037 241 T CA 4.401 66.160 62.100 -0.568 0.000 1.146 241 T CB -0.087 68.198 68.868 -0.971 0.000 0.865 241 T HN -0.204 7.697 8.240 -0.564 0.000 0.435 242 I N -3.572 116.528 120.570 -0.783 0.000 2.546 242 I HA -0.089 3.352 4.170 -1.215 0.000 0.255 242 I C 1.212 177.108 176.117 -0.369 0.000 1.163 242 I CA 2.911 63.631 61.300 -0.967 0.000 1.457 242 I CB -0.567 36.587 38.000 -1.410 0.000 1.092 242 I HN -0.247 7.505 8.210 -0.764 0.000 0.434 243 A N 0.654 123.315 122.820 -0.264 0.000 2.066 243 A HA -0.176 4.096 4.320 -0.081 0.000 0.218 243 A C 1.442 178.988 177.584 -0.063 0.000 1.157 243 A CA 2.545 54.512 52.037 -0.118 0.000 0.670 243 A CB -0.430 18.507 19.000 -0.106 0.000 0.804 243 A HN -0.227 7.738 8.150 -0.308 0.000 0.453 244 S N -3.574 112.077 115.700 -0.082 0.000 2.556 244 S HA 0.120 4.581 4.470 -0.015 0.000 0.216 244 S C -0.442 174.171 174.600 0.022 0.000 0.970 244 S CA 0.462 58.643 58.200 -0.031 0.000 0.912 244 S CB 0.163 63.335 63.200 -0.048 0.000 0.790 244 S HN -0.174 7.977 8.310 -0.141 0.074 0.504 245 N N 0.000 118.746 118.700 0.077 0.000 1.763 245 N HA 0.000 4.830 4.740 0.150 0.000 0.220 245 N CA 0.000 53.179 53.050 0.215 0.000 0.885 245 N CB 0.000 38.678 38.487 0.317 0.000 1.341 245 N HN 0.000 8.231 8.380 0.046 0.176 0.667