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 1o2q_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP 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 4.183 4.170 0.022 0.000 0.288 16 I C 0.000 176.108 176.117 -0.015 0.000 1.063 16 I CA 0.000 61.295 61.300 -0.009 0.000 1.566 16 I CB 0.000 37.959 38.000 -0.069 0.000 1.214 17 V N 5.683 125.600 119.914 0.004 0.000 2.435 17 V HA 0.266 4.521 4.120 -0.015 -0.145 0.290 17 V C 0.632 176.726 176.094 0.001 0.000 1.030 17 V CA -1.619 60.680 62.300 -0.002 0.000 0.881 17 V CB 1.274 33.102 31.823 0.009 0.000 0.983 17 V HN 0.877 9.083 8.190 0.026 0.000 0.445 18 G N 6.918 115.712 108.800 -0.008 0.000 2.179 18 G HA2 -0.402 3.551 3.960 -0.012 0.000 0.257 18 G HA3 -0.402 3.705 3.960 -0.028 -0.164 0.257 18 G C -0.703 174.202 174.900 0.009 0.000 1.010 18 G CA 0.553 45.646 45.100 -0.012 0.000 0.736 18 G HN 0.800 9.083 8.290 -0.012 0.000 0.513 19 G N -1.196 107.608 108.800 0.006 0.000 2.702 19 G HA2 0.528 4.524 3.960 0.080 0.000 0.254 19 G HA3 0.528 4.511 3.960 -0.094 -0.080 0.254 19 G C -1.740 173.203 174.900 0.071 0.000 1.380 19 G CA -1.071 44.032 45.100 0.006 0.000 1.042 19 G HN -0.653 7.601 8.290 -0.012 0.029 0.557 20 Y N -6.172 114.107 120.300 -0.035 0.000 2.638 20 Y HA 0.394 4.925 4.550 -0.031 0.000 0.339 20 Y C -1.805 174.067 175.900 -0.047 0.000 1.084 20 Y CA -2.848 55.231 58.100 -0.035 0.000 1.068 20 Y CB 1.132 39.575 38.460 -0.029 0.000 1.294 20 Y HN 0.361 8.185 8.280 -0.585 0.105 0.480 21 T N 2.347 116.965 114.554 0.107 0.000 2.799 21 T HA 0.097 4.521 4.350 -0.094 -0.130 0.296 21 T C 0.191 174.920 174.700 0.050 0.000 0.947 21 T CA 0.968 63.071 62.100 0.006 0.000 1.141 21 T CB -0.050 68.844 68.868 0.044 0.000 0.891 21 T HN -0.000 8.349 8.240 0.183 0.000 0.533 22 c N 6.308 124.841 118.600 -0.112 0.000 2.429 22 c HA -0.118 4.469 4.570 0.027 0.000 0.277 22 c C 0.184 174.297 174.090 0.038 0.000 1.262 22 c CA 0.838 57.135 56.329 -0.055 0.000 1.733 22 c CB 0.254 42.656 42.510 -0.180 0.000 2.010 22 c HN 0.066 8.174 8.230 -0.203 0.000 0.483 23 G N -2.063 106.739 108.800 0.005 0.000 2.885 23 G HA2 -0.162 3.814 3.960 0.026 0.000 0.685 23 G HA3 -0.162 3.817 3.960 0.031 0.000 0.685 23 G C -1.909 172.991 174.900 0.001 0.000 1.216 23 G CA -0.813 44.299 45.100 0.020 0.000 0.790 23 G HN -0.375 7.898 8.290 -0.027 0.000 0.631 24 A N 3.729 126.558 122.820 0.014 0.000 2.566 24 A HA -0.228 4.335 4.320 0.026 -0.227 0.245 24 A C -0.167 177.423 177.584 0.010 0.000 1.056 24 A CA 1.096 53.145 52.037 0.020 0.000 0.757 24 A CB 0.058 19.077 19.000 0.030 0.000 0.979 24 A HN 0.317 8.480 8.150 0.021 0.000 0.508 25 N N -2.509 116.195 118.700 0.006 0.000 2.714 25 N HA -0.373 4.360 4.740 -0.012 0.000 0.250 25 N C 0.400 175.893 175.510 -0.028 0.000 1.117 25 N CA 1.631 54.676 53.050 -0.007 0.000 0.719 25 N CB -1.020 37.474 38.487 0.011 0.000 1.081 25 N HN 0.555 8.946 8.380 0.017 0.000 0.557 26 T N -3.609 110.920 114.554 -0.042 0.000 3.100 26 T HA 0.010 4.354 4.350 -0.011 0.000 0.253 26 T C -0.006 174.646 174.700 -0.080 0.000 1.118 26 T CA 2.040 64.120 62.100 -0.033 0.000 1.058 26 T CB 0.444 69.306 68.868 -0.010 0.000 0.953 26 T HN -0.471 7.712 8.240 -0.046 0.030 0.515 27 V N 2.423 122.229 119.914 -0.179 0.000 2.320 27 V HA 0.380 4.270 4.120 -0.383 0.000 0.257 27 V C -1.503 174.299 176.094 -0.487 0.000 0.996 27 V CA -3.410 58.637 62.300 -0.423 0.000 0.928 27 V CB 0.512 32.055 31.823 -0.467 0.000 1.169 27 V HN -0.509 7.525 8.190 -0.155 0.062 0.475 28 P HA 0.058 4.527 4.420 -0.077 -0.095 0.230 28 P C 0.027 177.291 177.300 -0.059 0.000 1.158 28 P CA 1.564 64.602 63.100 -0.103 0.000 0.769 28 P CB 0.109 31.820 31.700 0.019 0.000 0.807 29 Y N -6.092 114.235 120.300 0.045 0.000 2.457 29 Y HA 0.491 5.210 4.550 0.059 -0.133 0.263 29 Y C -0.603 175.336 175.900 0.065 0.000 1.164 29 Y CA -3.283 54.849 58.100 0.054 0.000 1.274 29 Y CB -1.217 37.270 38.460 0.045 0.000 1.097 29 Y HN -0.421 7.307 8.280 -0.819 0.060 0.523 30 Q N 2.943 122.592 119.800 -0.251 0.000 2.297 30 Q HA 0.174 4.678 4.340 0.062 -0.127 0.267 30 Q C -0.304 175.775 176.000 0.132 0.000 1.006 30 Q CA 0.153 55.922 55.803 -0.057 0.000 0.896 30 Q CB 0.910 29.517 28.738 -0.220 0.000 1.186 30 Q HN -0.664 7.228 8.270 -0.528 0.061 0.392 31 V N 1.960 121.990 119.914 0.193 0.000 3.046 31 V HA 0.788 5.124 4.120 0.180 -0.108 0.316 31 V C -2.077 174.152 176.094 0.225 0.000 1.104 31 V CA -2.856 59.549 62.300 0.176 0.000 1.006 31 V CB 3.914 35.792 31.823 0.092 0.000 1.058 31 V HN 0.409 8.710 8.190 0.185 0.000 0.440 32 S N 0.605 116.339 115.700 0.056 0.000 2.473 32 S HA 0.467 5.142 4.470 0.161 -0.108 0.307 32 S C -1.088 173.374 174.600 -0.229 0.000 1.094 32 S CA -1.949 56.220 58.200 -0.052 0.000 1.070 32 S CB 1.791 64.758 63.200 -0.388 0.000 1.019 32 S HN 0.109 8.414 8.310 -0.008 0.000 0.480 33 L N 6.831 127.786 121.223 -0.448 0.000 2.282 33 L HA 0.548 4.780 4.340 -0.392 -0.128 0.288 33 L C -1.591 174.778 176.870 -0.835 0.000 1.033 33 L CA -0.918 53.536 54.840 -0.644 0.000 0.807 33 L CB 0.926 42.428 42.059 -0.927 0.000 1.209 33 L HN 0.748 8.670 8.230 -0.512 0.000 0.423 38 G N 0.049 108.765 108.800 -0.139 0.000 2.179 38 G HA2 -0.293 3.661 3.960 -0.010 0.000 0.220 38 G HA3 -0.293 3.740 3.960 0.122 0.000 0.220 38 G C -1.511 173.488 174.900 0.164 0.000 0.990 38 G CA 0.370 45.492 45.100 0.036 0.000 0.646 38 G HN 0.282 8.767 8.290 -0.185 -0.307 0.517 39 Y N -7.343 112.929 120.300 -0.047 0.000 2.732 39 Y HA 0.199 4.708 4.550 -0.069 0.000 0.342 39 Y C -2.531 173.356 175.900 -0.022 0.000 1.203 39 Y CA -3.446 54.626 58.100 -0.046 0.000 1.092 39 Y CB 0.623 39.056 38.460 -0.046 0.000 1.345 39 Y HN -1.174 6.902 8.280 -0.374 -0.020 0.458 40 H N 2.358 121.361 119.070 -0.112 0.000 2.767 40 H HA -0.010 4.481 4.556 -0.382 -0.164 0.316 40 H C -0.686 174.602 175.328 -0.066 0.000 1.059 40 H CA 0.310 56.219 56.048 -0.232 0.000 1.461 40 H CB 0.351 29.971 29.762 -0.238 0.000 1.475 40 H HN 0.225 8.594 8.280 0.147 0.000 0.531 41 F N 1.278 120.763 119.950 -0.775 0.000 2.819 41 F HA 0.355 4.780 4.527 -0.171 0.000 0.325 41 F C -1.554 173.984 175.800 -0.436 0.000 1.041 41 F CA -0.308 57.443 58.000 -0.415 0.000 1.184 41 F CB 1.710 40.538 39.000 -0.287 0.000 1.019 41 F HN -0.229 7.310 8.300 -1.269 0.000 0.590 42 c N -1.521 116.411 118.600 -1.113 0.000 3.288 42 c HA 0.389 4.888 4.570 -0.199 -0.048 0.318 42 c C -1.601 172.282 174.090 -0.345 0.000 1.356 42 c CA -0.281 55.737 56.329 -0.519 0.000 1.359 42 c CB 4.114 46.395 42.510 -0.380 0.000 1.688 42 c HN -0.798 6.427 8.230 -1.675 0.000 0.467 43 G N -0.920 107.874 108.800 -0.010 0.000 2.705 43 G HA2 0.810 5.063 3.960 0.229 0.000 0.299 43 G HA3 0.810 4.902 3.960 0.220 0.000 0.299 43 G C -2.499 172.426 174.900 0.042 0.000 1.315 43 G CA -1.632 43.555 45.100 0.145 0.000 1.045 43 G HN 0.816 9.111 8.290 0.007 0.000 0.517 44 G N -4.005 104.854 108.800 0.097 0.000 2.506 44 G HA2 0.526 4.814 3.960 0.077 0.000 0.292 44 G HA3 0.526 4.518 3.960 0.053 0.000 0.292 44 G C -2.941 172.045 174.900 0.143 0.000 1.425 44 G CA 0.330 45.481 45.100 0.085 0.000 0.788 44 G HN -0.582 7.801 8.290 0.153 0.000 0.490 45 S N -0.352 115.439 115.700 0.151 0.000 2.532 45 S HA 0.808 5.642 4.470 0.278 -0.197 0.299 45 S C -1.248 173.459 174.600 0.178 0.000 1.105 45 S CA -0.917 57.408 58.200 0.208 0.000 1.018 45 S CB 3.608 66.917 63.200 0.182 0.000 1.021 45 S HN 0.496 8.881 8.310 0.126 0.000 0.483 46 L N 6.328 127.673 121.223 0.202 0.000 2.313 46 L HA 0.146 4.688 4.340 0.151 -0.111 0.282 46 L C -0.735 176.222 176.870 0.146 0.000 1.092 46 L CA -0.111 54.828 54.840 0.165 0.000 0.831 46 L CB 0.949 43.105 42.059 0.162 0.000 1.159 46 L HN 0.471 8.754 8.230 0.266 0.106 0.442 47 I N 0.162 120.815 120.570 0.137 0.000 4.070 47 I HA 0.477 4.832 4.170 0.069 -0.144 0.328 47 I C -0.888 175.289 176.117 0.099 0.000 1.298 47 I CA -0.591 60.767 61.300 0.096 0.000 1.173 47 I CB 0.739 38.785 38.000 0.076 0.000 1.051 47 I HN 0.319 8.628 8.210 0.165 0.000 0.409 48 N N -2.177 116.606 118.700 0.137 0.000 3.261 48 N HA 0.156 4.954 4.740 0.096 0.000 0.248 48 N C -0.533 175.058 175.510 0.135 0.000 1.498 48 N CA -0.519 52.608 53.050 0.129 0.000 0.884 48 N CB 0.719 39.292 38.487 0.144 0.000 1.428 48 N HN -0.926 7.551 8.380 0.162 0.000 0.517 49 S N -3.371 112.396 115.700 0.111 0.000 2.507 49 S HA -0.341 4.173 4.470 0.073 0.000 0.235 49 S C 0.792 175.429 174.600 0.062 0.000 0.988 49 S CA 2.772 61.020 58.200 0.080 0.000 0.944 49 S CB -0.150 63.085 63.200 0.058 0.000 0.762 49 S HN 0.384 8.756 8.310 0.103 0.000 0.526 50 Q N -0.541 119.314 119.800 0.092 0.000 2.149 50 Q HA 0.332 4.621 4.340 -0.086 0.000 0.221 50 Q C -2.169 173.718 176.000 -0.188 0.000 0.807 50 Q CA -0.515 55.249 55.803 -0.065 0.000 1.000 50 Q CB 2.617 31.285 28.738 -0.116 0.000 1.157 50 Q HN 0.125 8.818 8.270 0.188 -0.310 0.487 51 W N -2.272 119.036 121.300 0.013 0.000 2.915 51 W HA 0.674 5.531 4.660 0.009 -0.191 0.337 51 W C -1.547 174.987 176.519 0.025 0.000 1.102 51 W CA -1.035 56.317 57.345 0.011 0.000 1.224 51 W CB 3.829 33.287 29.460 -0.003 0.000 1.416 51 W HN -0.433 8.017 8.180 0.272 -0.107 0.503 52 V N 0.924 121.000 119.914 0.271 0.000 2.823 52 V HA 0.774 5.170 4.120 0.175 -0.171 0.312 52 V C -1.456 174.754 176.094 0.193 0.000 1.072 52 V CA -1.758 60.652 62.300 0.183 0.000 0.937 52 V CB 3.748 35.634 31.823 0.105 0.000 1.013 52 V HN 0.734 9.096 8.190 0.287 0.000 0.430 53 V N 5.256 125.262 119.914 0.152 0.000 2.555 53 V HA 0.757 5.139 4.120 0.160 -0.166 0.302 53 V C -1.250 174.905 176.094 0.101 0.000 1.038 53 V CA -1.290 61.092 62.300 0.137 0.000 0.887 53 V CB 2.332 34.229 31.823 0.123 0.000 0.991 53 V HN 0.564 8.839 8.190 0.141 0.000 0.434 54 S N 3.991 119.738 115.700 0.078 0.000 2.880 54 S HA 0.577 5.297 4.470 0.040 -0.226 0.308 54 S C -2.059 172.539 174.600 -0.003 0.000 1.195 54 S CA -2.461 55.758 58.200 0.032 0.000 0.866 54 S CB 2.551 65.755 63.200 0.007 0.000 1.254 54 S HN 0.612 8.978 8.310 0.093 0.000 0.571 55 A N -0.521 122.261 122.820 -0.064 0.000 2.303 55 A HA 0.459 4.887 4.320 -0.083 -0.158 0.317 55 A C 0.503 177.983 177.584 -0.174 0.000 1.149 55 A CA -1.635 50.331 52.037 -0.119 0.000 0.822 55 A CB 1.548 20.440 19.000 -0.181 0.000 1.131 55 A HN 0.318 8.419 8.150 -0.081 0.000 0.493 56 A N 4.666 127.328 122.820 -0.263 0.000 1.972 56 A HA -0.252 3.922 4.320 -0.243 0.000 0.219 56 A C 1.300 178.656 177.584 -0.380 0.000 1.169 56 A CA 2.853 54.611 52.037 -0.464 0.000 0.635 56 A CB -0.365 17.945 19.000 -1.149 0.000 0.810 56 A HN 0.588 8.610 8.150 -0.244 -0.018 0.446 57 H N -4.656 114.259 119.070 -0.258 0.000 2.563 57 H HA -0.061 4.523 4.556 0.047 0.000 0.272 57 H C 0.094 175.470 175.328 0.080 0.000 1.005 57 H CA 1.360 57.412 56.048 0.007 0.000 1.171 57 H CB -1.217 28.624 29.762 0.132 0.000 1.351 57 H HN 0.089 8.581 8.280 -0.150 -0.302 0.602 58 c N -1.646 116.861 118.600 -0.155 0.000 2.791 58 c HA 0.037 4.647 4.570 0.067 0.000 0.270 58 c C 0.295 174.451 174.090 0.111 0.000 1.257 58 c CA 0.028 56.358 56.329 0.003 0.000 1.699 58 c CB -1.481 41.009 42.510 -0.034 0.000 1.904 58 c HN -0.244 7.672 8.230 -0.204 0.191 0.603 59 Y N 3.664 123.957 120.300 -0.012 0.000 2.597 59 Y HA -0.237 4.328 4.550 0.024 0.000 0.336 59 Y C -0.762 175.115 175.900 -0.038 0.000 1.216 59 Y CA 2.056 60.154 58.100 -0.004 0.000 1.463 59 Y CB 0.611 39.056 38.460 -0.025 0.000 1.303 59 Y HN -0.435 7.755 8.280 0.144 0.176 0.576 60 K N 6.039 125.670 120.400 -1.282 0.000 2.711 60 K HA 0.188 4.034 4.320 -0.790 0.000 0.294 60 K C -2.529 173.559 176.600 -0.853 0.000 1.037 60 K CA -1.111 54.630 56.287 -0.909 0.000 0.858 60 K CB 2.310 34.458 32.500 -0.587 0.000 1.521 60 K HN -0.074 7.327 8.250 -1.414 0.000 0.386 61 S N -0.456 114.963 115.700 -0.468 0.000 2.713 61 S HA 0.131 4.439 4.470 -0.271 0.000 0.283 61 S C 0.737 175.216 174.600 -0.202 0.000 1.161 61 S CA -0.414 57.629 58.200 -0.262 0.000 0.999 61 S CB 1.424 64.559 63.200 -0.108 0.000 1.039 61 S HN -0.164 7.936 8.310 -0.350 0.000 0.548 62 G N -0.218 108.504 108.800 -0.130 0.000 2.248 62 G HA2 -0.245 3.666 3.960 -0.081 0.000 0.263 62 G HA3 -0.245 3.648 3.960 -0.112 0.000 0.263 62 G C -1.592 173.244 174.900 -0.107 0.000 1.082 62 G CA 0.188 45.224 45.100 -0.107 0.000 0.863 62 G HN 0.306 8.534 8.290 -0.103 0.000 0.495 63 I N -1.226 119.289 120.570 -0.091 0.000 2.353 63 I HA 0.084 4.247 4.170 -0.013 0.000 0.293 63 I C -1.659 174.412 176.117 -0.077 0.000 0.992 63 I CA -0.794 60.476 61.300 -0.051 0.000 1.268 63 I CB 0.917 38.905 38.000 -0.021 0.000 1.387 63 I HN -0.490 7.663 8.210 -0.095 0.000 0.478 64 Q N 7.013 126.749 119.800 -0.107 0.000 3.184 64 Q HA 0.539 4.912 4.340 -0.098 -0.091 0.236 64 Q C -1.648 174.250 176.000 -0.171 0.000 1.038 64 Q CA -1.925 53.797 55.803 -0.136 0.000 0.857 64 Q CB 4.268 32.893 28.738 -0.188 0.000 1.957 64 Q HN 0.386 8.590 8.270 -0.110 0.000 0.453 65 R N -2.639 117.787 120.500 -0.124 0.000 2.937 65 R HA 0.385 4.962 4.340 0.119 -0.166 0.273 65 R C -1.372 174.956 176.300 0.045 0.000 1.176 65 R CA 0.045 56.116 56.100 -0.049 0.000 1.132 65 R CB 2.347 32.466 30.300 -0.303 0.000 1.270 65 R HN 0.590 8.769 8.270 -0.153 0.000 0.425 70 E N -0.344 119.951 120.200 0.158 0.000 2.319 70 E HA 0.089 4.515 4.350 0.127 0.000 0.268 70 E C -1.801 174.980 176.600 0.303 0.000 1.050 70 E CA 0.381 56.886 56.400 0.176 0.000 0.878 70 E CB 1.439 31.170 29.700 0.052 0.000 1.066 70 E HN -0.628 7.802 8.360 0.178 0.037 0.406 71 D N 1.186 121.742 120.400 0.260 0.000 3.045 71 D HA 0.062 4.915 4.640 0.355 0.000 0.196 71 D C -1.074 175.426 176.300 0.333 0.000 1.520 71 D CA 1.068 55.238 54.000 0.283 0.000 1.466 71 D CB 2.483 43.364 40.800 0.135 0.000 1.152 71 D HN 0.104 8.576 8.370 0.170 0.000 0.254 72 N N 1.024 119.828 118.700 0.174 0.000 2.401 72 N HA 0.206 5.190 4.740 0.178 -0.137 0.255 72 N C 2.119 177.643 175.510 0.023 0.000 1.110 72 N CA -0.633 52.490 53.050 0.123 0.000 0.949 72 N CB 0.537 39.070 38.487 0.077 0.000 1.110 72 N HN -0.405 8.358 8.380 0.127 -0.307 0.490 73 I N -0.051 120.452 120.570 -0.112 0.000 3.444 73 I HA -0.044 4.139 4.170 -0.253 -0.165 0.287 73 I C -0.453 175.585 176.117 -0.131 0.000 1.302 73 I CA 1.163 62.293 61.300 -0.283 0.000 1.368 73 I CB -0.685 36.904 38.000 -0.685 0.000 1.048 73 I HN 0.490 8.655 8.210 -0.076 0.000 0.487 74 N N -2.069 116.601 118.700 -0.049 0.000 2.184 74 N HA 0.156 4.884 4.740 -0.021 0.000 0.206 74 N C -1.083 174.437 175.510 0.015 0.000 1.151 74 N CA -0.124 52.918 53.050 -0.012 0.000 0.878 74 N CB 2.042 40.531 38.487 0.003 0.000 1.014 74 N HN -0.055 8.606 8.380 -0.026 -0.297 0.512 75 V N 0.506 120.434 119.914 0.024 0.000 2.623 75 V HA 0.048 4.186 4.120 0.030 0.000 0.304 75 V C -1.489 174.628 176.094 0.037 0.000 1.054 75 V CA -0.899 61.420 62.300 0.031 0.000 0.882 75 V CB 3.472 35.312 31.823 0.029 0.000 1.002 75 V HN -0.816 7.378 8.190 0.017 0.006 0.424 76 V N 7.940 127.871 119.914 0.029 0.000 2.387 76 V HA -0.179 4.180 4.120 0.017 -0.228 0.260 76 V C 0.198 176.288 176.094 -0.008 0.000 1.054 76 V CA 0.721 63.022 62.300 0.003 0.000 0.967 76 V CB -0.343 31.461 31.823 -0.033 0.000 1.036 76 V HN 0.354 8.559 8.190 0.026 0.000 0.481 77 E N 8.020 128.218 120.200 -0.002 0.000 2.460 77 E HA 0.119 4.469 4.350 0.000 0.000 0.200 77 E C -0.114 176.479 176.600 -0.012 0.000 1.011 77 E CA -0.357 56.043 56.400 0.001 0.000 0.912 77 E CB 0.663 30.374 29.700 0.019 0.000 0.953 77 E HN 0.310 9.101 8.360 0.005 -0.428 0.494 78 G N 0.085 108.867 108.800 -0.030 0.000 2.617 78 G HA2 -0.227 3.695 3.960 -0.064 0.000 0.686 78 G HA3 -0.227 3.716 3.960 -0.028 0.000 0.686 78 G C -1.707 173.176 174.900 -0.029 0.000 1.214 78 G CA -0.713 44.363 45.100 -0.040 0.000 0.796 78 G HN -0.413 8.076 8.290 -0.039 -0.222 0.654 79 N N -3.795 114.883 118.700 -0.037 0.000 2.962 79 N HA -0.279 4.449 4.740 -0.020 0.000 0.206 79 N C -0.842 174.653 175.510 -0.024 0.000 0.907 79 N CA 1.380 54.419 53.050 -0.019 0.000 1.029 79 N CB -0.294 38.196 38.487 0.006 0.000 1.009 79 N HN 0.158 8.508 8.380 -0.051 0.000 0.587 80 E N -0.941 119.224 120.200 -0.059 0.000 2.383 80 E HA 0.080 4.688 4.350 0.033 -0.238 0.264 80 E C -0.161 176.360 176.600 -0.132 0.000 1.050 80 E CA 0.864 57.224 56.400 -0.066 0.000 0.896 80 E CB 0.402 29.999 29.700 -0.172 0.000 0.982 80 E HN -0.168 8.041 8.360 -0.076 0.105 0.424 81 Q N 1.703 121.500 119.800 -0.006 0.000 2.274 81 Q HA 0.265 4.545 4.340 -0.101 0.000 0.268 81 Q C -1.500 174.641 176.000 0.235 0.000 1.015 81 Q CA -1.176 54.630 55.803 0.005 0.000 0.775 81 Q CB 3.000 31.757 28.738 0.032 0.000 1.256 81 Q HN 0.189 8.528 8.270 0.116 0.000 0.442 82 F N 3.619 123.548 119.950 -0.036 0.000 2.402 82 F HA 0.429 5.098 4.527 -0.054 -0.175 0.355 82 F C -0.215 175.559 175.800 -0.044 0.000 1.123 82 F CA -2.924 55.048 58.000 -0.047 0.000 1.021 82 F CB 0.901 39.872 39.000 -0.048 0.000 1.160 82 F HN 0.377 8.714 8.300 0.062 0.000 0.451 83 I N 3.960 124.601 120.570 0.119 0.000 2.582 83 I HA 0.250 4.446 4.170 0.044 0.000 0.292 83 I C -1.342 174.770 176.117 -0.009 0.000 1.066 83 I CA -1.417 59.906 61.300 0.039 0.000 1.053 83 I CB 4.063 42.072 38.000 0.015 0.000 1.241 83 I HN 0.827 9.091 8.210 0.089 0.000 0.421 84 S N 5.446 121.133 115.700 -0.021 0.000 2.592 84 S HA 0.085 4.634 4.470 -0.053 -0.111 0.271 84 S C -0.420 174.143 174.600 -0.062 0.000 1.326 84 S CA 0.747 58.920 58.200 -0.044 0.000 1.024 84 S CB 1.004 64.181 63.200 -0.038 0.000 0.921 84 S HN 0.429 8.733 8.310 -0.011 0.000 0.527 85 A N 3.790 126.569 122.820 -0.068 0.000 2.401 85 A HA 0.150 4.511 4.320 -0.102 -0.102 0.259 85 A C -0.263 177.272 177.584 -0.083 0.000 1.103 85 A CA -0.206 51.782 52.037 -0.081 0.000 0.789 85 A CB 0.531 19.494 19.000 -0.062 0.000 1.035 85 A HN -0.084 8.027 8.150 -0.065 0.000 0.491 86 S N 3.803 119.433 115.700 -0.116 0.000 2.387 86 S HA 0.020 4.447 4.470 -0.072 0.000 0.221 86 S C 0.405 174.962 174.600 -0.071 0.000 1.041 86 S CA 1.514 59.654 58.200 -0.100 0.000 0.959 86 S CB 0.824 63.940 63.200 -0.140 0.000 0.843 86 S HN 0.814 8.910 8.310 -0.163 0.116 0.488 87 K N -0.051 120.299 120.400 -0.084 0.000 2.551 87 K HA 0.288 4.624 4.320 0.027 0.000 0.269 87 K C -2.341 174.280 176.600 0.035 0.000 0.949 87 K CA -0.685 55.598 56.287 -0.006 0.000 0.849 87 K CB 3.491 35.995 32.500 0.005 0.000 1.411 87 K HN -0.785 7.377 8.250 -0.148 0.000 0.432 88 S N 1.250 117.028 115.700 0.130 0.000 2.500 88 S HA 0.689 5.424 4.470 0.167 -0.164 0.301 88 S C -0.866 173.855 174.600 0.201 0.000 1.092 88 S CA -0.462 57.857 58.200 0.199 0.000 1.030 88 S CB 2.629 66.017 63.200 0.315 0.000 1.031 88 S HN 0.159 8.561 8.310 0.153 0.000 0.483 89 I N 7.319 128.019 120.570 0.216 0.000 2.405 89 I HA 0.116 4.372 4.170 0.143 0.000 0.280 89 I C -1.567 174.688 176.117 0.231 0.000 1.027 89 I CA -0.841 60.581 61.300 0.203 0.000 1.161 89 I CB 1.459 39.594 38.000 0.226 0.000 1.300 89 I HN 1.095 9.342 8.210 0.245 0.110 0.463 90 V N 7.846 127.828 119.914 0.114 0.000 2.649 90 V HA -0.164 3.996 4.120 0.068 0.000 0.292 90 V C -0.270 175.902 176.094 0.130 0.000 1.055 90 V CA -0.506 61.827 62.300 0.055 0.000 1.023 90 V CB 0.915 32.673 31.823 -0.108 0.000 0.992 90 V HN 0.362 8.575 8.190 0.037 0.000 0.480 91 H N 8.561 127.617 119.070 -0.023 0.000 3.034 91 H HA -0.036 4.406 4.556 -0.189 0.000 0.324 91 H C -0.323 174.986 175.328 -0.032 0.000 1.015 91 H CA 0.120 56.047 56.048 -0.203 0.000 1.429 91 H CB 1.595 31.059 29.762 -0.496 0.000 1.429 91 H HN -0.216 8.099 8.280 0.060 0.000 0.585 92 P HA -0.118 4.307 4.420 0.008 0.000 0.219 92 P C -0.387 176.952 177.300 0.065 0.000 1.146 92 P CA 1.500 64.565 63.100 -0.058 0.000 0.808 92 P CB 0.318 31.966 31.700 -0.085 0.000 0.779 93 S N -3.771 112.070 115.700 0.236 0.000 2.583 93 S HA 0.041 4.574 4.470 0.104 0.000 0.239 93 S C -0.577 174.137 174.600 0.190 0.000 0.966 93 S CA 0.014 58.342 58.200 0.214 0.000 0.973 93 S CB 0.402 63.725 63.200 0.205 0.000 0.794 93 S HN -0.399 8.114 8.310 0.394 0.033 0.463 94 Y N 3.636 123.991 120.300 0.092 0.000 2.620 94 Y HA -0.317 4.394 4.550 -0.029 -0.178 0.330 94 Y C -0.961 174.934 175.900 -0.007 0.000 1.186 94 Y CA 0.822 58.929 58.100 0.011 0.000 1.467 94 Y CB 0.817 39.286 38.460 0.015 0.000 1.262 94 Y HN -0.701 7.606 8.280 0.334 0.174 0.550 95 N N 7.306 125.632 118.700 -0.624 0.000 2.479 95 N HA 0.217 4.682 4.740 -0.458 0.000 0.261 95 N C -0.222 174.766 175.510 -0.871 0.000 0.979 95 N CA -1.228 51.479 53.050 -0.573 0.000 0.930 95 N CB 1.711 40.026 38.487 -0.286 0.000 1.172 95 N HN -0.191 7.926 8.380 -0.438 0.000 0.499 96 S N 6.532 121.731 115.700 -0.836 0.000 2.555 96 S HA -0.071 4.023 4.470 -0.627 0.000 0.230 96 S C 0.656 175.073 174.600 -0.305 0.000 0.978 96 S CA 2.186 60.061 58.200 -0.542 0.000 0.934 96 S CB -0.241 62.820 63.200 -0.231 0.000 0.766 96 S HN 0.635 8.557 8.310 -0.647 0.000 0.533 97 N N 2.048 120.574 118.700 -0.290 0.000 2.387 97 N HA 0.045 4.661 4.740 -0.207 0.000 0.176 97 N C 1.043 176.388 175.510 -0.275 0.000 1.022 97 N CA 2.295 55.207 53.050 -0.230 0.000 0.883 97 N CB 0.747 39.127 38.487 -0.178 0.000 1.019 97 N HN 0.313 8.746 8.380 -0.318 -0.244 0.435 98 T N -3.934 110.452 114.554 -0.281 0.000 3.014 98 T HA 0.073 4.212 4.350 -0.351 0.000 0.250 98 T C 0.181 174.681 174.700 -0.334 0.000 1.060 98 T CA 0.453 62.374 62.100 -0.297 0.000 1.040 98 T CB 1.759 70.511 68.868 -0.194 0.000 0.971 98 T HN -0.360 7.993 8.240 -0.277 -0.279 0.497 99 L N -3.533 117.531 121.223 -0.265 0.000 4.291 99 L HA -0.501 3.931 4.340 0.023 -0.078 0.413 99 L C -1.895 175.001 176.870 0.044 0.000 1.162 99 L CA 0.434 55.227 54.840 -0.079 0.000 0.961 99 L CB -2.573 39.391 42.059 -0.159 0.000 2.095 99 L HN -0.041 8.005 8.230 -0.307 0.000 0.838 100 N N -1.024 117.659 118.700 -0.029 0.000 2.530 100 N HA -0.142 4.649 4.740 0.085 0.000 0.273 100 N C 0.039 175.594 175.510 0.074 0.000 1.173 100 N CA 0.630 53.701 53.050 0.035 0.000 0.967 100 N CB 1.317 39.798 38.487 -0.010 0.000 1.109 100 N HN -0.697 7.564 8.380 -0.125 0.044 0.453 101 N N -1.036 117.702 118.700 0.064 0.000 2.758 101 N HA -0.468 4.183 4.740 -0.148 0.000 0.248 101 N C -1.453 174.033 175.510 -0.040 0.000 1.076 101 N CA 1.387 54.374 53.050 -0.105 0.000 0.696 101 N CB -1.528 36.797 38.487 -0.270 0.000 0.979 101 N HN 0.615 9.057 8.380 0.104 0.000 0.550 102 D N -1.037 119.387 120.400 0.041 0.000 2.608 102 D HA 0.033 4.684 4.640 0.017 0.000 0.224 102 D C -1.646 174.567 176.300 -0.145 0.000 1.123 102 D CA -0.206 53.817 54.000 0.038 0.000 1.030 102 D CB -0.794 40.121 40.800 0.191 0.000 1.093 102 D HN -0.175 8.233 8.370 0.064 0.000 0.497 103 I N 1.935 122.356 120.570 -0.248 0.000 2.827 103 I HA 0.562 4.820 4.170 -0.123 -0.161 0.298 103 I C -3.109 172.967 176.117 -0.068 0.000 1.235 103 I CA -1.481 59.700 61.300 -0.197 0.000 1.021 103 I CB 4.151 41.900 38.000 -0.419 0.000 1.259 103 I HN -0.087 7.927 8.210 -0.262 0.039 0.427 104 M N 6.333 125.965 119.600 0.053 0.000 2.421 104 M HA 0.733 5.537 4.480 0.238 -0.181 0.287 104 M C -2.793 173.639 176.300 0.219 0.000 1.183 104 M CA -1.060 54.334 55.300 0.157 0.000 0.916 104 M CB 4.853 37.501 32.600 0.081 0.000 1.701 104 M HN 0.528 8.845 8.290 0.045 0.000 0.470 105 L N 3.332 124.724 121.223 0.281 0.000 2.329 105 L HA 0.825 5.497 4.340 0.270 -0.170 0.279 105 L C -1.320 175.744 176.870 0.323 0.000 1.014 105 L CA -1.440 53.583 54.840 0.305 0.000 0.814 105 L CB 3.014 45.235 42.059 0.270 0.000 1.257 105 L HN 0.527 8.841 8.230 0.315 0.105 0.424 106 I N 1.301 122.040 120.570 0.282 0.000 2.465 106 I HA 0.605 5.011 4.170 0.094 -0.180 0.291 106 I C -1.575 174.490 176.117 -0.087 0.000 1.014 106 I CA -1.417 59.944 61.300 0.102 0.000 1.093 106 I CB 3.067 41.098 38.000 0.052 0.000 1.267 106 I HN 0.827 9.224 8.210 0.311 0.000 0.431 107 K N 6.461 126.618 120.400 -0.406 0.000 2.156 107 K HA 0.620 4.286 4.320 -1.344 -0.153 0.271 107 K C -1.062 175.253 176.600 -0.476 0.000 0.995 107 K CA -1.838 53.871 56.287 -0.964 0.000 0.890 107 K CB 2.972 34.739 32.500 -1.223 0.000 1.073 107 K HN 0.704 8.801 8.250 -0.255 0.000 0.454 108 L N 4.475 125.448 121.223 -0.416 0.000 2.395 108 L HA 0.191 4.536 4.340 -0.168 -0.106 0.269 108 L C 1.823 178.575 176.870 -0.197 0.000 1.133 108 L CA -0.020 54.689 54.840 -0.219 0.000 0.812 108 L CB 0.431 42.403 42.059 -0.145 0.000 1.125 108 L HN 0.736 8.540 8.230 -0.538 0.103 0.452 109 K N 3.116 123.440 120.400 -0.127 0.000 2.097 109 K HA -0.320 3.935 4.320 -0.109 0.000 0.206 109 K C -0.627 175.924 176.600 -0.082 0.000 1.049 109 K CA 2.575 58.804 56.287 -0.097 0.000 0.933 109 K CB 0.360 32.822 32.500 -0.064 0.000 0.717 109 K HN 0.646 8.834 8.250 -0.104 0.000 0.442 110 S N -3.355 112.303 115.700 -0.070 0.000 2.627 110 S HA 0.083 4.521 4.470 -0.052 0.000 0.283 110 S C -1.992 172.578 174.600 -0.049 0.000 1.127 110 S CA -0.961 57.209 58.200 -0.050 0.000 0.863 110 S CB 2.799 65.982 63.200 -0.030 0.000 1.121 110 S HN -0.455 7.815 8.310 -0.067 0.000 0.479 111 A N -0.072 122.729 122.820 -0.032 0.000 2.407 111 A HA 0.005 4.457 4.320 -0.027 -0.148 0.248 111 A C -0.404 177.178 177.584 -0.003 0.000 1.082 111 A CA 0.109 52.136 52.037 -0.016 0.000 0.785 111 A CB 0.708 19.709 19.000 0.001 0.000 1.020 111 A HN 0.116 8.250 8.150 -0.026 0.000 0.489 112 A N 1.258 124.084 122.820 0.009 0.000 2.304 112 A HA 0.217 4.618 4.320 0.013 -0.073 0.271 112 A C -0.510 177.086 177.584 0.021 0.000 1.091 112 A CA -1.284 50.764 52.037 0.018 0.000 0.812 112 A CB 1.408 20.427 19.000 0.032 0.000 1.056 112 A HN 0.323 8.374 8.150 0.012 0.106 0.489 113 S N -0.210 115.501 115.700 0.018 0.000 2.422 113 S HA 0.109 4.589 4.470 0.017 0.000 0.298 113 S C -0.537 174.078 174.600 0.025 0.000 1.118 113 S CA -0.546 57.664 58.200 0.017 0.000 1.083 113 S CB 0.629 63.833 63.200 0.008 0.000 0.971 113 S HN -0.098 8.535 8.310 0.016 -0.313 0.478 114 L N 5.803 127.044 121.223 0.030 0.000 2.399 114 L HA 0.254 4.744 4.340 0.042 -0.124 0.266 114 L C -0.445 176.444 176.870 0.031 0.000 1.114 114 L CA -0.247 54.615 54.840 0.038 0.000 0.804 114 L CB 0.717 42.802 42.059 0.045 0.000 1.146 114 L HN 0.220 8.467 8.230 0.028 0.000 0.451 115 N N 1.902 120.622 118.700 0.033 0.000 3.517 115 N HA 0.106 4.861 4.740 0.025 0.000 0.329 115 N C -1.482 174.047 175.510 0.032 0.000 1.569 115 N CA -0.605 52.462 53.050 0.027 0.000 0.852 115 N CB 1.153 39.651 38.487 0.020 0.000 1.955 115 N HN 0.545 8.837 8.380 0.040 0.112 0.555 116 S N -2.977 112.740 115.700 0.027 0.000 2.461 116 S HA -0.150 4.342 4.470 0.037 0.000 0.228 116 S C 0.530 175.148 174.600 0.030 0.000 1.005 116 S CA 2.311 60.530 58.200 0.030 0.000 0.942 116 S CB 0.133 63.348 63.200 0.024 0.000 0.776 116 S HN 0.026 8.350 8.310 0.022 0.000 0.514 117 R N -1.209 119.307 120.500 0.026 0.000 2.223 117 R HA 0.159 4.510 4.340 0.018 0.000 0.198 117 R C -1.158 175.160 176.300 0.030 0.000 0.984 117 R CA 0.153 56.267 56.100 0.023 0.000 1.018 117 R CB 1.070 31.382 30.300 0.020 0.000 0.945 117 R HN -0.124 8.399 8.270 0.025 -0.239 0.479 118 V N -1.526 118.412 119.914 0.039 0.000 2.447 118 V HA 0.254 4.592 4.120 0.054 -0.186 0.292 118 V C -2.169 173.965 176.094 0.067 0.000 1.021 118 V CA -1.038 61.294 62.300 0.053 0.000 0.850 118 V CB 2.457 34.309 31.823 0.048 0.000 1.005 118 V HN -0.436 7.979 8.190 0.037 -0.203 0.426 119 A N 6.809 129.685 122.820 0.094 0.000 2.587 119 A HA 0.596 4.968 4.320 0.087 0.000 0.293 119 A C -3.001 174.675 177.584 0.152 0.000 1.087 119 A CA -1.413 50.690 52.037 0.110 0.000 0.692 119 A CB 2.937 22.004 19.000 0.112 0.000 1.291 119 A HN 0.075 8.172 8.150 0.104 0.115 0.407 120 S N -1.461 114.313 115.700 0.123 0.000 2.672 120 S HA 0.518 5.224 4.470 0.160 -0.140 0.276 120 S C -0.552 174.099 174.600 0.086 0.000 1.207 120 S CA -1.071 57.202 58.200 0.122 0.000 1.002 120 S CB 1.584 64.836 63.200 0.087 0.000 0.998 120 S HN -0.006 8.361 8.310 0.095 0.000 0.542 121 I N 0.677 121.253 120.570 0.011 0.000 2.562 121 I HA 0.222 4.313 4.170 -0.132 0.000 0.301 121 I C -1.013 175.050 176.117 -0.090 0.000 1.003 121 I CA -1.551 59.655 61.300 -0.157 0.000 1.127 121 I CB 3.922 41.610 38.000 -0.520 0.000 1.304 121 I HN 0.091 8.324 8.210 0.038 0.000 0.446 122 S N 6.303 121.950 115.700 -0.090 0.000 2.584 122 S HA 0.219 4.672 4.470 -0.028 0.000 0.273 122 S C -0.633 173.938 174.600 -0.048 0.000 1.311 122 S CA -0.233 57.937 58.200 -0.049 0.000 1.034 122 S CB 0.811 63.988 63.200 -0.039 0.000 0.939 122 S HN 0.176 8.419 8.310 -0.112 0.000 0.513 123 L N 2.513 123.723 121.223 -0.021 0.000 2.418 123 L HA 0.152 4.493 4.340 0.001 0.000 0.265 123 L C -1.292 175.575 176.870 -0.005 0.000 1.143 123 L CA -2.005 52.834 54.840 -0.002 0.000 0.809 123 L CB 0.109 42.176 42.059 0.014 0.000 1.124 123 L HN 0.210 8.430 8.230 -0.016 0.000 0.456 124 P HA 0.131 4.541 4.420 -0.016 0.000 0.276 124 P C -1.196 176.105 177.300 0.000 0.000 1.244 124 P CA -0.708 62.390 63.100 -0.004 0.000 0.801 124 P CB 0.778 32.476 31.700 -0.004 0.000 1.006 128 c N 0.618 119.193 118.600 -0.041 0.000 2.520 128 c HA 0.095 4.630 4.570 -0.058 0.000 0.376 128 c C 0.074 174.105 174.090 -0.099 0.000 1.268 128 c CA -0.702 55.588 56.329 -0.065 0.000 2.414 128 c CB 0.537 43.013 42.510 -0.057 0.000 2.521 128 c HN -0.042 8.166 8.230 -0.036 0.000 0.618 129 A N 0.861 123.586 122.820 -0.160 0.000 2.271 129 A HA 0.052 4.298 4.320 -0.125 0.000 0.288 129 A C -0.963 176.516 177.584 -0.175 0.000 1.094 129 A CA -0.285 51.648 52.037 -0.174 0.000 0.828 129 A CB 1.164 20.021 19.000 -0.238 0.000 1.091 129 A HN 0.206 8.235 8.150 -0.202 0.000 0.493 133 G N 0.551 109.311 108.800 -0.068 0.000 2.284 133 G HA2 -0.281 3.645 3.960 -0.057 0.000 0.247 133 G HA3 -0.281 3.651 3.960 -0.047 0.000 0.247 133 G C 0.092 174.952 174.900 -0.066 0.000 1.012 133 G CA 0.288 45.352 45.100 -0.059 0.000 0.618 133 G HN 0.635 8.777 8.290 -0.071 0.106 0.521 134 T N 3.744 118.247 114.554 -0.085 0.000 2.902 134 T HA -0.191 4.120 4.350 -0.065 0.000 0.301 134 T C -0.931 173.721 174.700 -0.080 0.000 1.012 134 T CA 2.416 64.466 62.100 -0.084 0.000 1.151 134 T CB 0.339 69.138 68.868 -0.115 0.000 0.946 134 T HN -0.539 7.553 8.240 -0.098 0.089 0.542 135 Q N 5.256 125.024 119.800 -0.054 0.000 2.243 135 Q HA 0.171 4.609 4.340 -0.050 -0.128 0.252 135 Q C -0.892 175.089 176.000 -0.033 0.000 0.909 135 Q CA 0.036 55.817 55.803 -0.036 0.000 0.922 135 Q CB 1.397 30.132 28.738 -0.005 0.000 1.215 135 Q HN 0.219 8.462 8.270 -0.044 0.000 0.427 136 c N 1.249 119.830 118.600 -0.030 0.000 3.044 136 c HA 0.613 5.270 4.570 -0.017 -0.097 0.315 136 c C -1.842 172.253 174.090 0.008 0.000 1.320 136 c CA -1.327 54.988 56.329 -0.023 0.000 1.582 136 c CB 4.359 46.836 42.510 -0.056 0.000 2.039 136 c HN 0.885 8.981 8.230 -0.034 0.114 0.466 137 L N 0.624 121.860 121.223 0.022 0.000 2.313 137 L HA 0.905 5.459 4.340 0.052 -0.183 0.283 137 L C -2.176 174.709 176.870 0.026 0.000 1.013 137 L CA -1.393 53.474 54.840 0.045 0.000 0.816 137 L CB 3.299 45.407 42.059 0.081 0.000 1.236 137 L HN 0.759 8.885 8.230 0.018 0.115 0.419 138 I N 7.273 127.843 120.570 -0.000 0.000 2.474 138 I HA 0.892 5.313 4.170 0.014 -0.243 0.294 138 I C -1.300 174.785 176.117 -0.053 0.000 1.005 138 I CA -1.553 59.742 61.300 -0.008 0.000 1.113 138 I CB 2.578 40.574 38.000 -0.007 0.000 1.289 138 I HN 0.797 9.008 8.210 0.001 0.000 0.436 139 S N 2.468 118.127 115.700 -0.067 0.000 2.618 139 S HA 1.047 5.542 4.470 -0.236 -0.167 0.277 139 S C -1.112 173.364 174.600 -0.206 0.000 1.138 139 S CA -1.853 56.230 58.200 -0.195 0.000 0.844 139 S CB 3.752 66.800 63.200 -0.252 0.000 1.127 139 S HN -0.211 8.092 8.310 -0.013 0.000 0.474 140 G N -1.292 107.289 108.800 -0.366 0.000 2.321 140 G HA2 0.111 3.823 3.960 -0.414 0.000 0.298 140 G HA3 0.111 4.154 3.960 -0.068 -0.123 0.298 140 G C -2.212 172.463 174.900 -0.375 0.000 1.385 140 G CA 0.474 45.386 45.100 -0.313 0.000 0.856 140 G HN 0.263 8.272 8.290 -0.468 0.000 0.584 141 W N 1.161 122.401 121.300 -0.100 0.000 3.015 141 W HA 0.355 4.959 4.660 -0.094 0.000 0.429 141 W C -0.181 176.365 176.519 0.045 0.000 0.976 141 W CA -0.997 56.256 57.345 -0.154 0.000 2.086 141 W CB 0.024 29.165 29.460 -0.532 0.000 1.125 141 W HN 0.582 8.904 8.180 0.238 0.000 0.721 142 G N 0.822 109.787 108.800 0.275 0.000 2.616 142 G HA2 -0.054 4.239 3.960 0.526 0.000 0.268 142 G HA3 -0.054 4.232 3.960 0.269 -0.164 0.268 142 G C -1.000 174.018 174.900 0.197 0.000 1.213 142 G CA -0.766 44.536 45.100 0.336 0.000 0.926 142 G HN -0.425 8.108 8.290 0.164 -0.144 0.523 143 N N -0.361 118.387 118.700 0.081 0.000 2.353 143 N HA -0.303 4.196 4.740 -0.683 -0.170 0.248 143 N C 0.848 176.276 175.510 -0.136 0.000 1.240 143 N CA 1.117 53.984 53.050 -0.304 0.000 0.862 143 N CB 0.677 38.972 38.487 -0.320 0.000 1.086 143 N HN 0.135 8.662 8.380 0.246 0.000 0.453 144 T N 0.002 114.459 114.554 -0.162 0.000 3.054 144 T HA 0.205 4.647 4.350 -0.051 -0.123 0.255 144 T C 0.152 174.811 174.700 -0.070 0.000 1.035 144 T CA 0.344 62.397 62.100 -0.079 0.000 0.941 144 T CB 1.413 70.247 68.868 -0.057 0.000 1.026 144 T HN 0.352 8.444 8.240 -0.248 0.000 0.533 145 K N 2.300 122.644 120.400 -0.094 0.000 2.259 145 K HA 0.314 4.610 4.320 -0.040 0.000 0.252 145 K C -0.324 176.252 176.600 -0.041 0.000 0.936 145 K CA -1.096 55.156 56.287 -0.059 0.000 0.810 145 K CB 2.760 35.222 32.500 -0.065 0.000 1.143 145 K HN -0.623 7.781 8.250 -0.147 -0.242 0.427 146 S N 0.513 116.203 115.700 -0.017 0.000 2.439 146 S HA -0.057 4.416 4.470 0.005 0.000 0.224 146 S C -0.095 174.508 174.600 0.004 0.000 1.029 146 S CA 1.644 59.845 58.200 0.002 0.000 0.946 146 S CB 0.889 64.096 63.200 0.012 0.000 0.797 146 S HN 0.127 8.428 8.310 -0.014 0.000 0.504 147 S N 2.035 117.734 115.700 -0.002 0.000 2.475 147 S HA 0.180 4.656 4.470 0.010 0.000 0.249 147 S C -0.737 173.860 174.600 -0.004 0.000 1.298 147 S CA -0.126 58.076 58.200 0.003 0.000 1.125 147 S CB -0.434 62.770 63.200 0.005 0.000 1.054 147 S HN -0.468 7.838 8.310 -0.007 0.000 0.484 148 G N 1.710 110.507 108.800 -0.006 0.000 2.381 148 G HA2 -0.190 3.773 3.960 0.005 0.000 0.672 148 G HA3 -0.190 3.763 3.960 -0.011 0.000 0.672 148 G C -2.763 172.111 174.900 -0.043 0.000 1.324 148 G CA -0.746 44.348 45.100 -0.010 0.000 0.975 148 G HN -0.543 7.747 8.290 -0.000 0.000 0.593 149 T N -3.531 110.995 114.554 -0.046 0.000 2.807 149 T HA 0.108 4.484 4.350 -0.269 -0.187 0.279 149 T C -1.246 173.344 174.700 -0.183 0.000 0.993 149 T CA -1.786 60.222 62.100 -0.154 0.000 0.970 149 T CB 2.087 70.970 68.868 0.026 0.000 0.950 149 T HN -0.210 8.025 8.240 -0.009 0.000 0.441 150 S N 4.171 119.658 115.700 -0.356 0.000 2.776 150 S HA 0.223 4.663 4.470 -0.049 0.000 0.284 150 S C -2.135 172.274 174.600 -0.319 0.000 1.160 150 S CA -0.286 57.808 58.200 -0.177 0.000 1.051 150 S CB 1.243 64.385 63.200 -0.097 0.000 1.037 150 S HN 0.790 9.177 8.310 -0.555 -0.410 0.485 151 Y N 5.588 125.928 120.300 0.067 0.000 2.342 151 Y HA 0.177 4.783 4.550 0.095 0.000 0.334 151 Y C -1.027 174.922 175.900 0.083 0.000 1.067 151 Y CA -2.594 55.559 58.100 0.088 0.000 1.128 151 Y CB 0.961 39.485 38.460 0.106 0.000 1.200 151 Y HN 0.100 8.505 8.280 0.209 0.000 0.464 152 P HA 0.144 4.640 4.420 0.128 0.000 0.281 152 P C -1.323 176.107 177.300 0.217 0.000 1.264 152 P CA -1.192 62.010 63.100 0.170 0.000 0.824 152 P CB 1.710 33.479 31.700 0.115 0.000 1.092 153 D N -1.902 118.601 120.400 0.172 0.000 2.262 153 D HA -0.001 4.714 4.640 0.126 0.000 0.212 153 D C -0.635 175.823 176.300 0.263 0.000 0.964 153 D CA 1.710 55.806 54.000 0.159 0.000 0.875 153 D CB 1.060 41.921 40.800 0.101 0.000 0.996 153 D HN 0.423 8.873 8.370 0.133 0.000 0.497 154 V N -7.885 112.172 119.914 0.239 0.000 2.966 154 V HA 0.645 5.175 4.120 0.409 -0.165 0.317 154 V C -0.709 175.427 176.094 0.070 0.000 1.070 154 V CA -2.792 59.658 62.300 0.250 0.000 1.008 154 V CB 2.022 33.909 31.823 0.108 0.000 1.070 154 V HN -0.931 7.356 8.190 0.162 0.000 0.457 155 L N 1.457 122.584 121.223 -0.160 0.000 2.455 155 L HA -0.036 3.458 4.340 -1.411 0.000 0.272 155 L C -0.320 176.281 176.870 -0.449 0.000 1.174 155 L CA 0.738 55.129 54.840 -0.748 0.000 0.869 155 L CB 0.584 42.185 42.059 -0.763 0.000 1.130 155 L HN -0.091 8.343 8.230 0.051 -0.173 0.474 156 K N 5.692 125.805 120.400 -0.478 0.000 2.156 156 K HA 0.684 4.961 4.320 -0.337 -0.160 0.250 156 K C -1.140 175.196 176.600 -0.440 0.000 0.955 156 K CA -2.585 53.482 56.287 -0.365 0.000 0.855 156 K CB 2.372 34.724 32.500 -0.247 0.000 1.101 156 K HN -0.254 7.634 8.250 -0.605 0.000 0.434 157 c N -0.569 117.666 118.600 -0.608 0.000 2.707 157 c HA 0.918 5.406 4.570 -0.416 -0.167 0.313 157 c C -1.816 171.885 174.090 -0.648 0.000 1.209 157 c CA -0.682 55.232 56.329 -0.692 0.000 1.635 157 c CB 3.567 45.511 42.510 -0.944 0.000 2.206 157 c HN 0.751 8.555 8.230 -0.711 0.000 0.485 158 L N 0.427 121.498 121.223 -0.254 0.000 2.493 158 L HA 0.389 4.779 4.340 0.084 0.000 0.265 158 L C -2.469 174.469 176.870 0.114 0.000 0.954 158 L CA 0.054 54.898 54.840 0.006 0.000 0.844 158 L CB 4.472 46.552 42.059 0.034 0.000 1.302 158 L HN 0.683 8.800 8.230 -0.187 0.000 0.405 159 K N 5.909 126.442 120.400 0.222 0.000 2.211 159 K HA 0.813 5.410 4.320 0.130 -0.200 0.275 159 K C -0.925 175.806 176.600 0.217 0.000 1.024 159 K CA -1.362 55.037 56.287 0.186 0.000 0.887 159 K CB 1.140 33.755 32.500 0.191 0.000 1.084 159 K HN 0.330 8.748 8.250 0.280 0.000 0.463 160 A N 4.190 127.070 122.820 0.100 0.000 2.520 160 A HA 0.640 4.943 4.320 -0.028 0.000 0.298 160 A C -3.418 174.091 177.584 -0.126 0.000 1.051 160 A CA -2.547 49.476 52.037 -0.024 0.000 0.690 160 A CB 3.134 22.126 19.000 -0.013 0.000 1.281 160 A HN 0.963 9.143 8.150 0.051 0.000 0.402 161 P HA 0.683 5.233 4.420 -0.111 -0.197 0.284 161 P C -1.093 176.131 177.300 -0.126 0.000 1.258 161 P CA -1.464 61.540 63.100 -0.160 0.000 0.824 161 P CB 1.575 33.178 31.700 -0.161 0.000 1.038 162 I N 0.228 120.742 120.570 -0.095 0.000 2.529 162 I HA -0.036 4.288 4.170 0.064 -0.116 0.284 162 I C 0.092 176.191 176.117 -0.031 0.000 1.082 162 I CA 0.543 61.814 61.300 -0.049 0.000 1.406 162 I CB 0.378 38.257 38.000 -0.201 0.000 1.405 162 I HN 0.042 8.186 8.210 -0.110 0.000 0.548 163 L N 6.616 127.860 121.223 0.035 0.000 2.431 163 L HA 0.254 4.583 4.340 -0.018 0.000 0.260 163 L C -0.334 176.552 176.870 0.027 0.000 1.098 163 L CA -1.009 53.841 54.840 0.016 0.000 0.800 163 L CB 0.889 42.969 42.059 0.035 0.000 1.210 163 L HN 0.406 8.595 8.230 0.118 0.111 0.465 164 S N -1.237 114.472 115.700 0.015 0.000 2.603 164 S HA 0.010 4.484 4.470 0.007 0.000 0.268 164 S C 0.337 174.961 174.600 0.040 0.000 1.317 164 S CA -0.603 57.607 58.200 0.016 0.000 1.012 164 S CB 1.422 64.626 63.200 0.007 0.000 0.926 164 S HN -0.045 8.270 8.310 0.007 0.000 0.539 165 D N 1.713 122.137 120.400 0.041 0.000 2.178 165 D HA -0.219 4.470 4.640 0.082 0.000 0.201 165 D C 1.676 178.006 176.300 0.050 0.000 0.980 165 D CA 3.075 57.110 54.000 0.059 0.000 0.842 165 D CB -0.243 40.588 40.800 0.051 0.000 0.948 165 D HN 0.566 8.952 8.370 0.028 0.000 0.472 166 S N -1.159 114.561 115.700 0.033 0.000 2.383 166 S HA -0.305 4.185 4.470 0.032 0.000 0.227 166 S C 2.002 176.617 174.600 0.026 0.000 1.026 166 S CA 3.430 61.647 58.200 0.028 0.000 0.981 166 S CB -0.181 63.029 63.200 0.017 0.000 0.818 166 S HN 0.006 8.332 8.310 0.026 0.000 0.472 167 S N 3.403 119.117 115.700 0.023 0.000 2.383 167 S HA -0.232 4.240 4.470 0.003 0.000 0.227 167 S C 1.776 176.388 174.600 0.021 0.000 1.026 167 S CA 3.975 62.183 58.200 0.013 0.000 0.981 167 S CB -0.149 63.056 63.200 0.009 0.000 0.818 167 S HN -0.545 7.779 8.310 0.023 0.000 0.472 168 c N 3.505 122.137 118.600 0.054 0.000 2.436 168 c HA -0.323 4.305 4.570 0.096 0.000 0.277 168 c C 1.734 175.893 174.090 0.116 0.000 1.241 168 c CA 2.905 59.293 56.329 0.098 0.000 1.721 168 c CB -1.700 40.885 42.510 0.124 0.000 2.043 168 c HN 0.023 8.287 8.230 0.056 0.000 0.472 169 K N -1.405 119.054 120.400 0.098 0.000 2.211 169 K HA -0.316 4.094 4.320 0.149 0.000 0.203 169 K C 2.284 178.923 176.600 0.065 0.000 1.050 169 K CA 2.992 59.340 56.287 0.101 0.000 0.945 169 K CB -0.280 32.267 32.500 0.078 0.000 0.732 169 K HN 0.054 8.354 8.250 0.083 0.000 0.451 170 S N -1.309 114.407 115.700 0.027 0.000 2.406 170 S HA -0.175 4.300 4.470 0.009 0.000 0.228 170 S C 1.295 175.865 174.600 -0.050 0.000 1.020 170 S CA 2.347 60.545 58.200 -0.003 0.000 0.965 170 S CB -0.209 62.985 63.200 -0.010 0.000 0.798 170 S HN -0.439 7.774 8.310 0.028 0.114 0.488 171 A N 0.048 122.804 122.820 -0.106 0.000 1.930 171 A HA -0.078 4.083 4.320 -0.266 0.000 0.215 171 A C -0.017 177.288 177.584 -0.464 0.000 1.176 171 A CA 1.921 53.760 52.037 -0.331 0.000 0.632 171 A CB 0.876 19.581 19.000 -0.492 0.000 0.819 171 A HN -0.542 7.454 8.150 -0.058 0.119 0.445 172 Y N -5.385 114.953 120.300 0.064 0.000 2.553 172 Y HA 0.483 5.109 4.550 0.128 0.000 0.369 172 Y C -2.412 173.552 175.900 0.106 0.000 0.964 172 Y CA -3.819 54.355 58.100 0.122 0.000 1.156 172 Y CB -0.445 38.135 38.460 0.199 0.000 1.218 172 Y HN -0.437 7.869 8.280 0.043 0.000 0.630 173 P HA -0.098 4.509 4.420 0.110 -0.121 0.264 173 P C 0.877 178.248 177.300 0.118 0.000 1.193 173 P CA 1.123 64.291 63.100 0.114 0.000 0.763 173 P CB 0.078 31.818 31.700 0.065 0.000 0.810 174 G N 4.113 112.973 108.800 0.099 0.000 2.189 174 G HA2 -0.368 3.627 3.960 0.059 0.000 0.267 174 G HA3 -0.368 3.625 3.960 0.056 0.000 0.267 174 G C 0.215 175.165 174.900 0.083 0.000 0.975 174 G CA 0.614 45.758 45.100 0.074 0.000 0.644 174 G HN 0.518 8.866 8.290 0.095 0.000 0.537 175 Q N -2.021 117.867 119.800 0.146 0.000 2.247 175 Q HA 0.078 4.445 4.340 0.045 0.000 0.211 175 Q C -0.502 175.631 176.000 0.223 0.000 0.861 175 Q CA -0.378 55.511 55.803 0.144 0.000 0.949 175 Q CB 1.303 30.150 28.738 0.182 0.000 1.115 175 Q HN -0.270 8.044 8.270 0.197 0.074 0.507 176 I N 0.369 121.066 120.570 0.212 0.000 2.315 176 I HA 0.052 4.372 4.170 0.249 0.000 0.291 176 I C -0.453 175.742 176.117 0.130 0.000 1.006 176 I CA -2.169 59.249 61.300 0.196 0.000 1.265 176 I CB -0.841 37.266 38.000 0.178 0.000 1.387 176 I HN -0.465 7.856 8.210 0.186 0.000 0.475 177 T N 2.505 117.132 114.554 0.121 0.000 2.910 177 T HA 0.369 4.759 4.350 0.067 0.000 0.279 177 T C 0.793 175.542 174.700 0.082 0.000 0.989 177 T CA -2.090 60.059 62.100 0.082 0.000 0.968 177 T CB 2.220 71.127 68.868 0.066 0.000 1.135 177 T HN -0.396 7.933 8.240 0.149 0.000 0.562 178 S N -2.354 113.379 115.700 0.056 0.000 2.603 178 S HA -0.201 4.308 4.470 0.064 0.000 0.229 178 S C -0.022 174.615 174.600 0.063 0.000 0.972 178 S CA 1.779 60.009 58.200 0.051 0.000 0.935 178 S CB -0.174 63.036 63.200 0.017 0.000 0.769 178 S HN 0.245 8.579 8.310 0.039 0.000 0.536 179 N N 0.351 119.101 118.700 0.083 0.000 2.279 179 N HA 0.130 4.930 4.740 0.100 0.000 0.226 179 N C -1.796 173.828 175.510 0.189 0.000 1.126 179 N CA -0.462 52.667 53.050 0.131 0.000 0.846 179 N CB 0.736 39.322 38.487 0.165 0.000 1.050 179 N HN -0.577 7.775 8.380 0.083 0.077 0.502 180 M N -1.201 118.497 119.600 0.164 0.000 2.593 180 M HA 0.855 5.606 4.480 0.078 -0.223 0.290 180 M C -2.445 173.966 176.300 0.184 0.000 1.244 180 M CA -0.397 54.974 55.300 0.118 0.000 0.857 180 M CB 5.265 37.913 32.600 0.080 0.000 1.738 180 M HN -0.741 7.542 8.290 0.148 0.095 0.461 181 F N -6.046 113.949 119.950 0.075 0.000 2.668 181 F HA 0.628 5.188 4.527 0.054 0.000 0.309 181 F C -2.668 173.187 175.800 0.091 0.000 1.117 181 F CA -1.713 56.329 58.000 0.070 0.000 0.951 181 F CB 2.410 41.450 39.000 0.066 0.000 1.323 181 F HN 0.071 8.223 8.300 -0.248 0.000 0.451 182 c N -0.278 118.502 118.600 0.301 0.000 2.391 182 c HA 0.980 5.799 4.570 0.092 -0.194 0.339 182 c C -1.129 173.175 174.090 0.357 0.000 1.205 182 c CA -1.201 55.254 56.329 0.210 0.000 1.937 182 c CB 2.716 45.311 42.510 0.141 0.000 2.341 182 c HN 0.968 9.406 8.230 0.348 0.000 0.516 183 A N 2.506 125.515 122.820 0.315 0.000 2.442 183 A HA 0.667 5.190 4.320 0.101 -0.142 0.284 183 A C -2.323 175.321 177.584 0.100 0.000 1.058 183 A CA -0.390 51.747 52.037 0.166 0.000 0.738 183 A CB 2.801 21.829 19.000 0.046 0.000 1.242 183 A HN 0.358 8.721 8.150 0.355 0.000 0.421 184 Y N 2.910 123.244 120.300 0.057 0.000 2.404 184 Y HA 0.081 4.652 4.550 0.035 0.000 0.344 184 Y C 0.976 176.893 175.900 0.029 0.000 0.995 184 Y CA -0.198 57.925 58.100 0.038 0.000 1.201 184 Y CB 0.503 38.983 38.460 0.034 0.000 1.151 184 Y HN 0.368 8.807 8.280 0.265 0.000 0.517 185 L N 4.024 125.321 121.223 0.123 0.000 2.362 185 L HA -0.322 4.050 4.340 0.054 0.000 0.219 185 L C 1.044 177.960 176.870 0.076 0.000 1.134 185 L CA 2.182 57.064 54.840 0.070 0.000 0.807 185 L CB -0.434 41.645 42.059 0.033 0.000 0.927 185 L HN 0.527 8.811 8.230 0.091 0.000 0.447 186 E N -2.109 118.155 120.200 0.106 0.000 2.482 186 E HA -0.109 4.269 4.350 0.046 0.000 0.196 186 E C 0.818 177.452 176.600 0.057 0.000 1.047 186 E CA 0.087 56.527 56.400 0.067 0.000 0.869 186 E CB -0.557 29.178 29.700 0.058 0.000 0.836 186 E HN 0.062 8.473 8.360 0.156 0.042 0.520 187 G N 0.939 109.789 108.800 0.083 0.000 3.292 187 G HA2 -0.387 3.661 3.960 0.079 0.000 0.636 187 G HA3 -0.387 3.598 3.960 0.041 0.000 0.636 187 G C -0.768 174.151 174.900 0.032 0.000 1.069 187 G CA -0.115 45.022 45.100 0.061 0.000 0.890 187 G HN -0.493 7.714 8.290 0.129 0.160 0.427 188 K N 1.392 121.781 120.400 -0.018 0.000 6.362 188 K HA -0.604 3.957 4.320 -0.002 -0.242 0.680 188 K C -1.288 175.398 176.600 0.143 0.000 2.319 188 K CA 0.573 56.861 56.287 0.002 0.000 1.675 188 K CB -0.139 32.258 32.500 -0.172 0.000 1.858 188 K HN 0.079 8.338 8.250 0.015 0.000 0.286 189 D N 0.569 121.042 120.400 0.122 0.000 2.764 189 D HA 0.308 5.074 4.640 0.210 0.000 0.293 189 D C -1.943 174.428 176.300 0.119 0.000 1.287 189 D CA -0.609 53.483 54.000 0.153 0.000 0.768 189 D CB 4.472 45.347 40.800 0.126 0.000 1.288 189 D HN 0.371 8.788 8.370 0.078 0.000 0.426 190 S N -1.757 114.029 115.700 0.143 0.000 2.730 190 S HA 0.393 4.990 4.470 0.096 -0.069 0.284 190 S C -1.399 173.257 174.600 0.093 0.000 1.153 190 S CA -0.717 57.559 58.200 0.127 0.000 0.995 190 S CB 1.937 65.260 63.200 0.204 0.000 1.058 190 S HN 0.297 8.712 8.310 0.176 0.000 0.552 191 c N -1.905 116.753 118.600 0.096 0.000 3.272 191 c HA 0.256 4.874 4.570 0.080 0.000 0.363 191 c C -1.599 172.576 174.090 0.142 0.000 1.514 191 c CA -0.421 55.965 56.329 0.094 0.000 1.185 191 c CB 2.813 45.363 42.510 0.066 0.000 1.716 191 c HN 0.114 8.652 8.230 0.110 -0.242 0.440 192 Q N 1.839 121.736 119.800 0.163 0.000 2.304 192 Q HA -0.330 4.144 4.340 0.222 0.000 0.301 192 Q C 1.043 177.229 176.000 0.310 0.000 1.063 192 Q CA 1.974 57.914 55.803 0.230 0.000 0.947 192 Q CB 0.501 29.379 28.738 0.232 0.000 1.201 192 Q HN 0.499 8.849 8.270 0.133 0.000 0.389 193 G N 6.715 115.700 108.800 0.308 0.000 2.279 193 G HA2 -0.428 3.866 3.960 0.310 0.000 0.223 193 G HA3 -0.428 3.833 3.960 0.502 0.000 0.223 193 G C 0.760 175.887 174.900 0.378 0.000 1.015 193 G CA 1.031 46.362 45.100 0.385 0.000 0.621 193 G HN 0.387 8.837 8.290 0.266 0.000 0.506 194 D N 2.714 123.276 120.400 0.270 0.000 2.333 194 D HA 0.058 4.839 4.640 0.235 0.000 0.208 194 D C 0.138 176.543 176.300 0.174 0.000 0.984 194 D CA 1.055 55.181 54.000 0.209 0.000 0.873 194 D CB 0.394 41.285 40.800 0.151 0.000 0.935 194 D HN 0.053 8.467 8.370 0.245 0.103 0.521 195 S N -0.476 115.324 115.700 0.168 0.000 2.715 195 S HA -0.606 4.085 4.470 0.149 -0.131 0.318 195 S C 1.024 175.644 174.600 0.033 0.000 1.242 195 S CA 2.508 60.782 58.200 0.123 0.000 1.044 195 S CB -0.134 63.158 63.200 0.154 0.000 0.760 195 S HN -0.659 7.797 8.310 0.198 -0.027 0.501 196 G N 4.719 113.525 108.800 0.009 0.000 2.267 196 G HA2 -0.466 3.553 3.960 -0.024 0.000 0.257 196 G HA3 -0.466 3.571 3.960 -0.052 -0.109 0.257 196 G C -0.190 174.746 174.900 0.059 0.000 0.998 196 G CA 0.300 45.395 45.100 -0.008 0.000 0.620 196 G HN 0.855 9.068 8.290 0.041 0.101 0.529 197 G N 0.849 109.708 108.800 0.099 0.000 2.621 197 G HA2 0.349 4.453 3.960 0.126 0.000 0.271 197 G HA3 0.349 4.441 3.960 0.127 -0.055 0.271 197 G C -2.689 172.296 174.900 0.141 0.000 1.236 197 G CA -1.931 43.244 45.100 0.125 0.000 0.958 197 G HN -0.151 8.101 8.290 0.105 0.101 0.512 198 P HA 0.380 5.009 4.420 0.134 -0.129 0.286 198 P C -1.634 175.732 177.300 0.111 0.000 1.261 198 P CA -1.022 62.172 63.100 0.156 0.000 0.821 198 P CB 1.681 33.539 31.700 0.264 0.000 1.013 199 V N 2.828 122.785 119.914 0.072 0.000 2.380 199 V HA 0.261 4.529 4.120 -0.017 -0.158 0.286 199 V C -1.357 174.748 176.094 0.019 0.000 1.015 199 V CA -0.460 61.843 62.300 0.004 0.000 0.834 199 V CB 1.803 33.594 31.823 -0.053 0.000 1.009 199 V HN -0.171 8.069 8.190 0.084 0.000 0.428 200 V N 8.167 128.086 119.914 0.008 0.000 2.417 200 V HA 0.609 4.882 4.120 -0.063 -0.190 0.291 200 V C -1.322 174.755 176.094 -0.028 0.000 1.024 200 V CA -1.249 61.029 62.300 -0.037 0.000 0.861 200 V CB 2.878 34.663 31.823 -0.063 0.000 0.985 200 V HN 0.676 8.883 8.190 0.028 0.000 0.436 201 c N 7.814 126.384 118.600 -0.050 0.000 2.396 201 c HA 0.579 5.127 4.570 -0.037 0.000 0.321 201 c C 0.222 174.283 174.090 -0.049 0.000 1.233 201 c CA -1.260 55.038 56.329 -0.052 0.000 1.440 201 c CB 1.812 44.272 42.510 -0.084 0.000 2.110 201 c HN 0.625 8.819 8.230 -0.061 0.000 0.473 202 S N 4.833 120.513 115.700 -0.034 0.000 3.549 202 S HA -0.428 4.031 4.470 -0.018 0.000 0.366 202 S C 0.326 174.906 174.600 -0.033 0.000 1.012 202 S CA 1.084 59.267 58.200 -0.029 0.000 1.141 202 S CB -1.792 61.387 63.200 -0.035 0.000 0.910 202 S HN 1.076 9.370 8.310 -0.025 0.000 0.471 203 G N -5.172 103.606 108.800 -0.037 0.000 2.155 203 G HA2 -0.514 3.411 3.960 -0.058 0.000 0.257 203 G HA3 -0.514 3.425 3.960 -0.036 0.000 0.257 203 G C -1.121 173.727 174.900 -0.087 0.000 0.983 203 G CA 0.371 45.438 45.100 -0.054 0.000 0.676 203 G HN 0.268 8.526 8.290 -0.029 0.015 0.528 210 Q N 1.185 121.009 119.800 0.039 0.000 2.396 210 Q HA 0.197 4.582 4.340 0.075 0.000 0.220 210 Q C -0.202 175.965 176.000 0.278 0.000 0.900 210 Q CA 0.218 56.072 55.803 0.086 0.000 0.925 210 Q CB 2.643 31.355 28.738 -0.043 0.000 1.065 210 Q HN 0.403 8.685 8.270 0.020 0.000 0.535 211 G N -3.281 105.689 108.800 0.284 0.000 2.694 211 G HA2 0.604 5.044 3.960 0.375 0.000 0.290 211 G HA3 0.604 4.797 3.960 0.390 0.000 0.290 211 G C -3.249 171.766 174.900 0.191 0.000 1.386 211 G CA -0.727 44.571 45.100 0.329 0.000 0.872 211 G HN -0.398 7.996 8.290 0.174 0.000 0.475 212 I N -1.201 119.478 120.570 0.183 0.000 2.498 212 I HA 0.562 5.045 4.170 0.159 -0.218 0.290 212 I C -0.388 175.861 176.117 0.220 0.000 1.032 212 I CA -1.438 59.958 61.300 0.161 0.000 1.073 212 I CB 4.255 42.309 38.000 0.090 0.000 1.251 212 I HN -0.398 7.985 8.210 0.163 -0.076 0.426 213 V N 7.411 127.472 119.914 0.245 0.000 2.458 213 V HA -0.221 3.989 4.120 0.151 0.000 0.287 213 V C -1.135 174.989 176.094 0.051 0.000 1.009 213 V CA 2.117 64.520 62.300 0.173 0.000 1.091 213 V CB -1.256 30.686 31.823 0.199 0.000 0.960 213 V HN 0.287 8.603 8.190 0.210 0.000 0.476 214 S N 7.694 123.325 115.700 -0.116 0.000 3.142 214 S HA 0.389 5.049 4.470 0.317 0.000 0.223 214 S C -1.325 173.357 174.600 0.137 0.000 0.939 214 S CA 1.003 59.265 58.200 0.104 0.000 0.826 214 S CB 2.461 65.709 63.200 0.079 0.000 0.823 214 S HN -0.114 7.920 8.310 -0.460 0.000 0.612 215 W N -4.447 116.695 121.300 -0.262 0.000 2.988 215 W HA 0.293 4.842 4.660 -0.184 0.000 0.355 215 W C -3.019 173.316 176.519 -0.306 0.000 1.233 215 W CA -0.691 56.503 57.345 -0.252 0.000 1.176 215 W CB 1.253 30.557 29.460 -0.260 0.000 1.477 215 W HN -0.289 7.543 8.180 -0.580 0.000 0.582 216 G N -3.172 105.632 108.800 0.007 0.000 2.451 216 G HA2 0.129 3.735 3.960 -0.591 0.000 0.292 216 G HA3 0.129 3.996 3.960 -0.155 0.000 0.292 216 G C -2.372 172.636 174.900 0.181 0.000 1.427 216 G CA 0.227 45.238 45.100 -0.148 0.000 0.792 216 G HN -0.034 8.426 8.290 0.284 0.000 0.498 220 c N 1.755 120.394 118.600 0.064 0.000 3.359 220 c HA 0.264 4.993 4.570 0.064 -0.121 0.194 220 c C -1.350 172.773 174.090 0.055 0.000 1.659 220 c CA -1.175 55.190 56.329 0.059 0.000 1.338 220 c CB -1.616 40.923 42.510 0.048 0.000 2.109 220 c HN 0.310 8.574 8.230 0.057 0.000 0.518 221 Q N -1.524 118.310 119.800 0.057 0.000 2.896 221 Q HA 0.099 4.461 4.340 0.036 0.000 0.241 221 Q C -1.255 174.769 176.000 0.039 0.000 0.999 221 Q CA -0.671 55.159 55.803 0.044 0.000 0.912 221 Q CB 2.080 30.847 28.738 0.048 0.000 2.012 221 Q HN 0.044 8.354 8.270 0.067 0.000 0.489 222 K N 4.086 124.502 120.400 0.027 0.000 2.489 222 K HA -0.282 4.179 4.320 0.033 -0.121 0.278 222 K C 0.242 176.843 176.600 0.000 0.000 1.000 222 K CA 0.802 57.101 56.287 0.020 0.000 1.012 222 K CB -0.073 32.435 32.500 0.014 0.000 0.903 222 K HN 0.278 8.543 8.250 0.024 0.000 0.485 223 N N 2.120 120.816 118.700 -0.006 0.000 2.778 223 N HA -0.482 4.233 4.740 -0.042 0.000 0.249 223 N C -1.510 173.931 175.510 -0.115 0.000 1.069 223 N CA 1.790 54.809 53.050 -0.052 0.000 0.831 223 N CB -0.408 38.043 38.487 -0.060 0.000 1.142 223 N HN 0.786 9.049 8.380 0.015 0.126 0.573 224 K N -1.751 118.612 120.400 -0.062 0.000 2.606 224 K HA 0.547 4.677 4.320 -0.317 0.000 0.196 224 K C -2.283 174.364 176.600 0.078 0.000 1.048 224 K CA -3.560 52.689 56.287 -0.063 0.000 1.017 224 K CB -0.262 32.266 32.500 0.047 0.000 1.413 224 K HN -0.621 7.564 8.250 -0.006 0.062 0.568 225 P HA -0.045 4.440 4.420 0.109 0.000 0.274 225 P C -0.609 176.745 177.300 0.090 0.000 1.260 225 P CA -0.438 62.731 63.100 0.115 0.000 0.793 225 P CB 1.171 32.928 31.700 0.096 0.000 1.048 226 G N -2.549 106.268 108.800 0.029 0.000 2.507 226 G HA2 0.397 4.142 3.960 -0.360 0.000 0.271 226 G HA3 0.397 4.193 3.960 -0.274 0.000 0.271 226 G C -1.848 172.712 174.900 -0.568 0.000 1.189 226 G CA -0.831 44.092 45.100 -0.295 0.000 0.859 226 G HN -0.380 7.994 8.290 0.140 0.000 0.542 227 V N 1.364 120.611 119.914 -1.111 0.000 2.495 227 V HA 0.612 4.487 4.120 -0.683 -0.165 0.298 227 V C -1.052 174.276 176.094 -1.278 0.000 1.031 227 V CA -1.052 60.575 62.300 -1.121 0.000 0.871 227 V CB 2.492 33.239 31.823 -1.795 0.000 0.988 227 V HN 0.480 7.965 8.190 -1.174 0.000 0.432 228 Y N 5.073 124.967 120.300 -0.678 0.000 2.446 228 Y HA 0.584 5.059 4.550 -0.383 -0.155 0.345 228 Y C 0.327 175.935 175.900 -0.488 0.000 0.984 228 Y CA -2.319 55.390 58.100 -0.651 0.000 1.058 228 Y CB 3.611 41.422 38.460 -1.082 0.000 1.220 228 Y HN 1.004 8.894 8.280 -0.650 0.000 0.455 229 T N 5.319 119.834 114.554 -0.065 0.000 2.870 229 T HA -0.041 4.528 4.350 0.094 -0.162 0.300 229 T C -0.536 174.284 174.700 0.201 0.000 0.989 229 T CA 1.689 63.833 62.100 0.072 0.000 1.139 229 T CB 0.407 69.301 68.868 0.044 0.000 0.920 229 T HN 0.374 8.605 8.240 -0.015 0.000 0.537 230 K N 8.550 129.151 120.400 0.335 0.000 2.127 230 K HA 0.073 4.789 4.320 0.659 0.000 0.261 230 K C 1.000 177.847 176.600 0.412 0.000 1.129 230 K CA -0.489 56.073 56.287 0.458 0.000 0.993 230 K CB -0.439 32.286 32.500 0.375 0.000 1.410 230 K HN 0.140 8.468 8.250 0.308 0.107 0.380 231 V N 5.816 125.955 119.914 0.376 0.000 2.380 231 V HA -0.554 3.851 4.120 0.476 0.000 0.251 231 V C 1.460 177.717 176.094 0.271 0.000 1.063 231 V CA 3.975 66.483 62.300 0.347 0.000 1.055 231 V CB -0.356 31.602 31.823 0.224 0.000 0.657 231 V HN 0.231 8.650 8.190 0.381 0.000 0.455 232 c N -3.507 115.191 118.600 0.164 0.000 2.409 232 c HA -0.225 4.392 4.570 0.078 0.000 0.284 232 c C 1.780 175.891 174.090 0.035 0.000 1.354 232 c CA 1.668 58.044 56.329 0.079 0.000 1.787 232 c CB -2.125 40.403 42.510 0.029 0.000 1.900 232 c HN 0.463 8.772 8.230 0.165 0.020 0.520 233 N N 0.910 119.597 118.700 -0.021 0.000 2.494 233 N HA -0.094 4.549 4.740 -0.161 0.000 0.182 233 N C 0.317 175.590 175.510 -0.395 0.000 1.076 233 N CA 1.198 54.094 53.050 -0.257 0.000 0.908 233 N CB -0.185 38.012 38.487 -0.483 0.000 0.967 233 N HN -0.218 8.163 8.380 0.060 0.035 0.449 234 Y N -4.544 115.819 120.300 0.105 0.000 2.531 234 Y HA 0.167 4.843 4.550 0.211 0.000 0.249 234 Y C 0.020 176.056 175.900 0.227 0.000 1.168 234 Y CA -0.590 57.627 58.100 0.194 0.000 1.226 234 Y CB -0.164 38.423 38.460 0.211 0.000 1.177 234 Y HN -0.166 8.040 8.280 0.188 0.186 0.527 235 V N 0.663 120.717 119.914 0.233 0.000 2.343 235 V HA -0.531 3.687 4.120 0.163 0.000 0.247 235 V C 1.469 177.638 176.094 0.124 0.000 1.051 235 V CA 4.962 67.355 62.300 0.155 0.000 1.036 235 V CB -0.575 31.300 31.823 0.087 0.000 0.654 235 V HN -0.792 7.496 8.190 0.163 0.000 0.451 236 S N -0.140 115.633 115.700 0.123 0.000 2.383 236 S HA -0.309 4.184 4.470 0.039 0.000 0.227 236 S C 1.812 176.488 174.600 0.127 0.000 1.026 236 S CA 2.900 61.154 58.200 0.089 0.000 0.981 236 S CB -0.385 62.863 63.200 0.079 0.000 0.818 236 S HN -0.071 8.309 8.310 0.117 0.000 0.472 237 W N 4.218 125.558 121.300 0.067 0.000 2.355 237 W HA -0.177 4.515 4.660 0.054 0.000 0.309 237 W C 1.664 178.203 176.519 0.033 0.000 1.206 237 W CA 3.125 60.523 57.345 0.089 0.000 1.284 237 W CB -0.038 29.564 29.460 0.236 0.000 1.145 237 W HN -0.401 7.998 8.180 0.384 0.011 0.502 238 I N -0.832 119.758 120.570 0.033 0.000 2.127 238 I HA -0.765 3.026 4.170 -0.633 0.000 0.241 238 I C 1.807 177.699 176.117 -0.376 0.000 1.075 238 I CA 4.530 65.664 61.300 -0.277 0.000 1.334 238 I CB -0.266 37.728 38.000 -0.011 0.000 1.040 238 I HN 0.373 8.792 8.210 0.349 0.000 0.405 239 K N -0.921 119.357 120.400 -0.203 0.000 2.032 239 K HA -0.439 3.735 4.320 -0.244 0.000 0.209 239 K C 2.740 179.191 176.600 -0.249 0.000 1.048 239 K CA 3.836 59.999 56.287 -0.207 0.000 0.927 239 K CB -0.374 32.064 32.500 -0.103 0.000 0.712 239 K HN -0.173 8.025 8.250 -0.088 0.000 0.441 240 Q N -1.724 117.942 119.800 -0.224 0.000 2.079 240 Q HA -0.282 3.964 4.340 -0.156 0.000 0.200 240 Q C 2.813 178.627 176.000 -0.309 0.000 0.974 240 Q CA 3.117 58.796 55.803 -0.207 0.000 0.840 240 Q CB 0.020 28.682 28.738 -0.126 0.000 0.898 240 Q HN 0.154 8.318 8.270 -0.177 0.000 0.430 241 T N 2.907 117.151 114.554 -0.517 0.000 2.708 241 T HA -0.263 3.846 4.350 -0.402 0.000 0.266 241 T C 2.351 176.734 174.700 -0.529 0.000 1.037 241 T CA 5.004 66.758 62.100 -0.578 0.000 1.146 241 T CB -0.164 68.097 68.868 -1.011 0.000 0.865 241 T HN -0.015 7.847 8.240 -0.631 0.000 0.435 242 I N 1.192 121.340 120.570 -0.703 0.000 2.179 242 I HA -0.488 2.931 4.170 -1.252 0.000 0.242 242 I C 1.774 177.674 176.117 -0.362 0.000 1.088 242 I CA 3.898 64.680 61.300 -0.862 0.000 1.357 242 I CB -0.416 36.996 38.000 -0.981 0.000 1.051 242 I HN 0.128 7.919 8.210 -0.698 0.000 0.409 243 A N -0.243 122.414 122.820 -0.272 0.000 1.978 243 A HA -0.226 4.033 4.320 -0.100 0.000 0.220 243 A C 1.231 178.766 177.584 -0.081 0.000 1.170 243 A CA 3.059 55.014 52.037 -0.136 0.000 0.636 243 A CB -0.298 18.630 19.000 -0.120 0.000 0.810 243 A HN 0.122 8.081 8.150 -0.319 0.000 0.448 244 S N -4.882 110.759 115.700 -0.099 0.000 2.577 244 S HA 0.052 4.508 4.470 -0.023 0.000 0.219 244 S C -0.241 174.364 174.600 0.010 0.000 0.962 244 S CA 0.226 58.401 58.200 -0.041 0.000 0.921 244 S CB 0.564 63.730 63.200 -0.057 0.000 0.789 244 S HN -0.409 7.684 8.310 -0.164 0.119 0.497 245 N N 0.000 118.737 118.700 0.061 0.000 1.763 245 N HA 0.000 4.812 4.740 0.120 0.000 0.220 245 N CA 0.000 53.160 53.050 0.182 0.000 0.885 245 N CB 0.000 38.674 38.487 0.311 0.000 1.341 245 N HN 0.000 8.234 8.380 0.029 0.164 0.667