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 1o2r_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 4.177 4.170 0.012 0.000 0.288 16 I C 0.000 176.102 176.117 -0.025 0.000 1.063 16 I CA 0.000 61.288 61.300 -0.020 0.000 1.566 16 I CB 0.000 37.953 38.000 -0.078 0.000 1.214 17 V N 5.628 125.540 119.914 -0.004 0.000 2.435 17 V HA 0.258 4.498 4.120 -0.022 -0.133 0.290 17 V C 0.640 176.731 176.094 -0.005 0.000 1.030 17 V CA -1.577 60.718 62.300 -0.008 0.000 0.881 17 V CB 1.294 33.120 31.823 0.005 0.000 0.983 17 V HN 0.822 9.024 8.190 0.019 0.000 0.445 18 G N 6.755 115.547 108.800 -0.014 0.000 2.179 18 G HA2 -0.399 3.551 3.960 -0.016 0.000 0.257 18 G HA3 -0.399 3.687 3.960 -0.032 -0.145 0.257 18 G C -0.639 174.261 174.900 0.000 0.000 1.010 18 G CA 0.531 45.621 45.100 -0.017 0.000 0.736 18 G HN 0.785 9.066 8.290 -0.016 0.000 0.513 19 G N -1.210 107.586 108.800 -0.006 0.000 2.702 19 G HA2 0.508 4.487 3.960 0.057 0.000 0.254 19 G HA3 0.508 4.490 3.960 -0.115 -0.091 0.254 19 G C -1.732 173.194 174.900 0.043 0.000 1.380 19 G CA -1.087 44.004 45.100 -0.016 0.000 1.042 19 G HN -0.657 7.588 8.290 -0.023 0.031 0.557 20 Y N -6.170 114.108 120.300 -0.037 0.000 2.605 20 Y HA 0.391 4.921 4.550 -0.033 0.000 0.343 20 Y C -1.676 174.195 175.900 -0.048 0.000 1.036 20 Y CA -2.885 55.193 58.100 -0.037 0.000 1.065 20 Y CB 1.189 39.630 38.460 -0.031 0.000 1.288 20 Y HN 0.265 8.179 8.280 -0.610 0.000 0.481 21 T N 2.572 117.181 114.554 0.091 0.000 2.817 21 T HA 0.044 4.459 4.350 -0.095 -0.122 0.295 21 T C 0.262 174.985 174.700 0.038 0.000 0.958 21 T CA 1.245 63.346 62.100 0.002 0.000 1.157 21 T CB -0.118 68.775 68.868 0.042 0.000 0.898 21 T HN 0.025 8.363 8.240 0.164 0.000 0.536 22 c N 6.046 124.579 118.600 -0.112 0.000 2.429 22 c HA -0.100 4.494 4.570 0.040 0.000 0.277 22 c C 0.119 174.233 174.090 0.039 0.000 1.262 22 c CA 0.771 57.070 56.329 -0.050 0.000 1.733 22 c CB 0.250 42.657 42.510 -0.171 0.000 2.010 22 c HN -0.032 8.079 8.230 -0.198 0.000 0.483 23 G N -2.054 106.751 108.800 0.008 0.000 2.742 23 G HA2 -0.164 3.812 3.960 0.027 0.000 0.686 23 G HA3 -0.164 3.815 3.960 0.032 0.000 0.686 23 G C -1.945 172.957 174.900 0.002 0.000 1.220 23 G CA -0.844 44.269 45.100 0.021 0.000 0.783 23 G HN -0.365 7.913 8.290 -0.020 0.000 0.646 24 A N 3.412 126.240 122.820 0.013 0.000 2.548 24 A HA -0.209 4.275 4.320 0.023 -0.150 0.247 24 A C -0.112 177.477 177.584 0.007 0.000 1.067 24 A CA 1.036 53.083 52.037 0.018 0.000 0.757 24 A CB 0.036 19.053 19.000 0.028 0.000 0.996 24 A HN 0.318 8.480 8.150 0.020 0.000 0.504 25 N N -2.522 116.179 118.700 0.002 0.000 2.741 25 N HA -0.378 4.352 4.740 -0.015 0.000 0.251 25 N C 0.445 175.935 175.510 -0.033 0.000 1.112 25 N CA 1.682 54.726 53.050 -0.011 0.000 0.750 25 N CB -0.965 37.527 38.487 0.007 0.000 1.119 25 N HN 0.569 8.957 8.380 0.012 0.000 0.561 26 T N -3.275 111.252 114.554 -0.045 0.000 3.113 26 T HA -0.018 4.322 4.350 -0.016 0.000 0.256 26 T C 0.000 174.646 174.700 -0.091 0.000 1.131 26 T CA 2.175 64.252 62.100 -0.038 0.000 1.074 26 T CB 0.407 69.267 68.868 -0.012 0.000 0.944 26 T HN -0.560 7.613 8.240 -0.047 0.038 0.516 27 V N 2.208 122.008 119.914 -0.190 0.000 2.320 27 V HA 0.375 4.241 4.120 -0.422 0.000 0.257 27 V C -1.536 174.252 176.094 -0.510 0.000 0.996 27 V CA -3.436 58.598 62.300 -0.442 0.000 0.928 27 V CB 0.510 32.055 31.823 -0.463 0.000 1.169 27 V HN -0.527 7.499 8.190 -0.162 0.066 0.475 28 P HA 0.070 4.530 4.420 -0.085 -0.091 0.230 28 P C -0.102 177.157 177.300 -0.068 0.000 1.158 28 P CA 1.511 64.542 63.100 -0.115 0.000 0.769 28 P CB 0.077 31.782 31.700 0.007 0.000 0.807 29 Y N -6.102 114.223 120.300 0.041 0.000 2.457 29 Y HA 0.525 5.242 4.550 0.056 -0.134 0.263 29 Y C -0.567 175.370 175.900 0.061 0.000 1.164 29 Y CA -3.328 54.803 58.100 0.050 0.000 1.274 29 Y CB -1.075 37.411 38.460 0.043 0.000 1.097 29 Y HN -0.428 7.213 8.280 -0.953 0.067 0.523 30 Q N 2.979 122.652 119.800 -0.210 0.000 2.313 30 Q HA 0.124 4.639 4.340 0.082 -0.126 0.266 30 Q C -0.333 175.748 176.000 0.136 0.000 0.989 30 Q CA 0.300 56.085 55.803 -0.030 0.000 0.890 30 Q CB 0.965 29.582 28.738 -0.202 0.000 1.200 30 Q HN -0.634 7.278 8.270 -0.503 0.056 0.396 31 V N 1.157 121.188 119.914 0.196 0.000 3.074 31 V HA 0.801 5.148 4.120 0.187 -0.115 0.314 31 V C -1.977 174.259 176.094 0.236 0.000 1.117 31 V CA -2.906 59.504 62.300 0.182 0.000 1.014 31 V CB 3.908 35.789 31.823 0.097 0.000 1.057 31 V HN 0.226 8.529 8.190 0.188 0.000 0.438 32 S N 0.508 116.249 115.700 0.067 0.000 2.473 32 S HA 0.421 5.103 4.470 0.179 -0.105 0.307 32 S C -1.050 173.416 174.600 -0.223 0.000 1.094 32 S CA -1.888 56.288 58.200 -0.042 0.000 1.070 32 S CB 1.757 64.725 63.200 -0.387 0.000 1.019 32 S HN 0.015 8.326 8.310 0.001 0.000 0.480 33 L N 7.077 128.028 121.223 -0.453 0.000 2.275 33 L HA 0.504 4.740 4.340 -0.376 -0.122 0.288 33 L C -1.544 174.853 176.870 -0.788 0.000 1.046 33 L CA -0.756 53.695 54.840 -0.649 0.000 0.805 33 L CB 0.919 42.391 42.059 -0.979 0.000 1.193 33 L HN 0.775 8.689 8.230 -0.527 0.000 0.426 38 G N -0.009 108.709 108.800 -0.137 0.000 2.176 38 G HA2 -0.294 3.663 3.960 -0.005 0.000 0.232 38 G HA3 -0.294 3.747 3.960 0.136 0.000 0.232 38 G C -1.454 173.547 174.900 0.167 0.000 0.986 38 G CA 0.398 45.524 45.100 0.044 0.000 0.643 38 G HN 0.237 8.764 8.290 -0.185 -0.347 0.522 39 Y N -7.226 113.046 120.300 -0.047 0.000 2.702 39 Y HA 0.221 4.728 4.550 -0.071 0.000 0.336 39 Y C -2.542 173.346 175.900 -0.021 0.000 1.203 39 Y CA -3.493 54.578 58.100 -0.048 0.000 1.072 39 Y CB 0.669 39.100 38.460 -0.049 0.000 1.327 39 Y HN -1.164 6.898 8.280 -0.398 -0.020 0.456 40 H N 1.891 120.888 119.070 -0.121 0.000 2.646 40 H HA 0.038 4.521 4.556 -0.383 -0.156 0.325 40 H C -0.779 174.499 175.328 -0.083 0.000 1.075 40 H CA 0.052 55.953 56.048 -0.245 0.000 1.421 40 H CB 0.636 30.245 29.762 -0.255 0.000 1.461 40 H HN 0.158 8.520 8.280 0.137 0.000 0.525 41 F N 1.210 120.706 119.950 -0.756 0.000 2.699 41 F HA 0.351 4.771 4.527 -0.177 0.000 0.295 41 F C -1.594 173.924 175.800 -0.469 0.000 1.052 41 F CA -0.178 57.569 58.000 -0.421 0.000 1.239 41 F CB 1.698 40.524 39.000 -0.290 0.000 1.018 41 F HN -0.286 7.281 8.300 -1.220 0.000 0.627 42 c N -1.572 116.328 118.600 -1.167 0.000 3.288 42 c HA 0.417 4.840 4.570 -0.246 0.000 0.318 42 c C -1.497 172.366 174.090 -0.378 0.000 1.356 42 c CA -0.387 55.605 56.329 -0.562 0.000 1.359 42 c CB 4.144 46.423 42.510 -0.385 0.000 1.688 42 c HN -0.837 6.338 8.230 -1.758 0.000 0.467 43 G N -0.921 107.869 108.800 -0.017 0.000 2.613 43 G HA2 0.800 5.052 3.960 0.243 0.000 0.303 43 G HA3 0.800 4.900 3.960 0.233 0.000 0.303 43 G C -2.484 172.443 174.900 0.045 0.000 1.312 43 G CA -1.595 43.596 45.100 0.152 0.000 1.036 43 G HN 0.647 8.938 8.290 0.001 0.000 0.513 44 G N -4.048 104.810 108.800 0.097 0.000 2.495 44 G HA2 0.522 4.822 3.960 0.075 0.000 0.294 44 G HA3 0.522 4.514 3.960 0.053 0.000 0.294 44 G C -2.937 172.046 174.900 0.138 0.000 1.397 44 G CA 0.294 45.444 45.100 0.084 0.000 0.790 44 G HN -0.601 7.781 8.290 0.153 0.000 0.486 45 S N -0.508 115.280 115.700 0.146 0.000 2.532 45 S HA 0.754 5.573 4.470 0.270 -0.188 0.299 45 S C -1.302 173.401 174.600 0.171 0.000 1.105 45 S CA -0.886 57.433 58.200 0.198 0.000 1.018 45 S CB 3.630 66.930 63.200 0.166 0.000 1.021 45 S HN 0.229 8.612 8.310 0.122 0.000 0.483 46 L N 6.096 127.437 121.223 0.196 0.000 2.319 46 L HA 0.149 4.686 4.340 0.147 -0.109 0.280 46 L C -0.809 176.144 176.870 0.139 0.000 1.099 46 L CA -0.047 54.889 54.840 0.160 0.000 0.828 46 L CB 1.153 43.307 42.059 0.158 0.000 1.150 46 L HN 0.396 8.782 8.230 0.261 0.000 0.442 47 I N -0.032 120.616 120.570 0.130 0.000 4.139 47 I HA 0.532 4.890 4.170 0.062 -0.151 0.335 47 I C -0.987 175.185 176.117 0.093 0.000 1.327 47 I CA -0.697 60.656 61.300 0.089 0.000 1.112 47 I CB 0.917 38.958 38.000 0.069 0.000 1.058 47 I HN 0.376 8.682 8.210 0.160 0.000 0.396 48 N N -2.180 116.598 118.700 0.130 0.000 3.261 48 N HA 0.147 4.941 4.740 0.091 0.000 0.248 48 N C -0.643 174.945 175.510 0.130 0.000 1.498 48 N CA -0.495 52.628 53.050 0.122 0.000 0.884 48 N CB 0.647 39.216 38.487 0.137 0.000 1.428 48 N HN -0.945 7.528 8.380 0.155 0.000 0.517 49 S N -3.647 112.117 115.700 0.107 0.000 2.507 49 S HA -0.298 4.215 4.470 0.072 0.000 0.235 49 S C 0.780 175.415 174.600 0.058 0.000 0.988 49 S CA 2.648 60.895 58.200 0.077 0.000 0.944 49 S CB -0.094 63.139 63.200 0.056 0.000 0.762 49 S HN 0.361 8.731 8.310 0.100 0.000 0.526 50 Q N -0.252 119.599 119.800 0.084 0.000 2.164 50 Q HA 0.335 4.618 4.340 -0.094 0.000 0.226 50 Q C -2.129 173.753 176.000 -0.195 0.000 0.813 50 Q CA -0.349 55.408 55.803 -0.077 0.000 0.978 50 Q CB 2.649 31.316 28.738 -0.119 0.000 1.149 50 Q HN 0.076 8.758 8.270 0.181 -0.304 0.489 51 W N -2.282 119.025 121.300 0.011 0.000 2.915 51 W HA 0.746 5.615 4.660 0.008 -0.204 0.337 51 W C -1.456 175.076 176.519 0.022 0.000 1.102 51 W CA -1.195 56.156 57.345 0.009 0.000 1.224 51 W CB 3.785 33.241 29.460 -0.008 0.000 1.416 51 W HN -0.404 8.080 8.180 0.281 -0.135 0.503 52 V N 0.829 120.904 119.914 0.269 0.000 2.823 52 V HA 0.789 5.188 4.120 0.170 -0.177 0.312 52 V C -1.432 174.775 176.094 0.188 0.000 1.072 52 V CA -1.734 60.674 62.300 0.180 0.000 0.937 52 V CB 3.680 35.567 31.823 0.108 0.000 1.013 52 V HN 0.709 9.073 8.190 0.290 0.000 0.430 53 V N 5.539 125.541 119.914 0.147 0.000 2.459 53 V HA 0.743 5.123 4.120 0.153 -0.168 0.295 53 V C -1.255 174.899 176.094 0.099 0.000 1.029 53 V CA -1.199 61.180 62.300 0.132 0.000 0.874 53 V CB 2.097 33.990 31.823 0.116 0.000 0.985 53 V HN 0.529 8.801 8.190 0.135 0.000 0.438 54 S N 4.549 120.297 115.700 0.081 0.000 2.973 54 S HA 0.540 5.234 4.470 0.042 -0.199 0.317 54 S C -2.047 172.557 174.600 0.005 0.000 1.196 54 S CA -2.574 55.648 58.200 0.036 0.000 0.894 54 S CB 2.446 65.654 63.200 0.013 0.000 1.292 54 S HN 0.662 9.031 8.310 0.098 0.000 0.614 55 A N -0.612 122.176 122.820 -0.052 0.000 2.306 55 A HA 0.446 4.880 4.320 -0.065 -0.153 0.314 55 A C 0.530 178.024 177.584 -0.150 0.000 1.164 55 A CA -1.589 50.388 52.037 -0.100 0.000 0.822 55 A CB 1.659 20.562 19.000 -0.161 0.000 1.130 55 A HN 0.238 8.345 8.150 -0.072 0.000 0.496 56 A N 4.942 127.618 122.820 -0.240 0.000 1.940 56 A HA -0.267 3.917 4.320 -0.227 0.000 0.219 56 A C 1.323 178.703 177.584 -0.340 0.000 1.176 56 A CA 2.916 54.687 52.037 -0.444 0.000 0.631 56 A CB -0.351 17.963 19.000 -1.143 0.000 0.814 56 A HN 0.601 8.634 8.150 -0.227 -0.019 0.446 57 H N -5.126 113.785 119.070 -0.265 0.000 2.563 57 H HA -0.061 4.516 4.556 0.035 0.000 0.272 57 H C 0.050 175.427 175.328 0.082 0.000 1.005 57 H CA 1.240 57.286 56.048 -0.003 0.000 1.171 57 H CB -1.216 28.611 29.762 0.108 0.000 1.351 57 H HN -0.064 8.458 8.280 -0.085 -0.293 0.602 58 c N -1.314 117.229 118.600 -0.095 0.000 2.906 58 c HA 0.001 4.626 4.570 0.091 0.000 0.274 58 c C -1.062 173.111 174.090 0.139 0.000 1.257 58 c CA -0.014 56.334 56.329 0.032 0.000 1.695 58 c CB -1.297 41.194 42.510 -0.031 0.000 1.958 58 c HN -0.676 7.278 8.230 -0.143 0.191 0.619 59 Y N 2.400 122.702 120.300 0.003 0.000 2.597 59 Y HA -0.204 4.367 4.550 0.035 0.000 0.336 59 Y C -1.373 174.507 175.900 -0.034 0.000 1.216 59 Y CA 1.498 59.602 58.100 0.006 0.000 1.463 59 Y CB 0.992 39.444 38.460 -0.014 0.000 1.303 59 Y HN -0.429 7.778 8.280 0.175 0.178 0.576 60 K N 5.980 125.652 120.400 -1.213 0.000 2.658 60 K HA 0.194 4.070 4.320 -0.740 0.000 0.293 60 K C -2.333 173.749 176.600 -0.863 0.000 1.026 60 K CA -0.913 54.843 56.287 -0.886 0.000 0.871 60 K CB 2.482 34.624 32.500 -0.597 0.000 1.524 60 K HN -0.150 7.299 8.250 -1.336 0.000 0.400 61 S N -0.399 115.014 115.700 -0.478 0.000 2.713 61 S HA 0.133 4.429 4.470 -0.289 0.000 0.283 61 S C 0.692 175.163 174.600 -0.215 0.000 1.161 61 S CA -0.386 57.648 58.200 -0.277 0.000 0.999 61 S CB 1.328 64.456 63.200 -0.121 0.000 1.039 61 S HN -0.176 7.922 8.310 -0.353 0.000 0.548 62 G N -0.118 108.598 108.800 -0.140 0.000 2.289 62 G HA2 -0.249 3.660 3.960 -0.085 0.000 0.280 62 G HA3 -0.249 3.641 3.960 -0.116 0.000 0.280 62 G C -1.741 173.089 174.900 -0.116 0.000 1.089 62 G CA 0.213 45.245 45.100 -0.113 0.000 0.939 62 G HN 0.295 8.518 8.290 -0.110 0.000 0.499 63 I N -1.444 119.070 120.570 -0.093 0.000 2.392 63 I HA 0.137 4.426 4.170 0.002 -0.118 0.295 63 I C -1.705 174.373 176.117 -0.063 0.000 0.985 63 I CA -1.077 60.200 61.300 -0.038 0.000 1.221 63 I CB 1.306 39.309 38.000 0.005 0.000 1.366 63 I HN -0.538 7.615 8.210 -0.095 0.000 0.467 64 Q N 6.582 126.329 119.800 -0.089 0.000 3.184 64 Q HA 0.621 5.006 4.340 -0.088 -0.098 0.236 64 Q C -1.644 174.263 176.000 -0.155 0.000 1.038 64 Q CA -2.046 53.683 55.803 -0.123 0.000 0.857 64 Q CB 4.339 32.969 28.738 -0.179 0.000 1.957 64 Q HN 0.537 8.757 8.270 -0.082 0.000 0.453 65 R N -2.348 118.081 120.500 -0.118 0.000 3.008 65 R HA 0.379 4.944 4.340 0.108 -0.160 0.284 65 R C -1.350 174.982 176.300 0.053 0.000 1.187 65 R CA 0.034 56.106 56.100 -0.047 0.000 1.139 65 R CB 2.284 32.410 30.300 -0.291 0.000 1.273 65 R HN 0.597 8.778 8.270 -0.148 0.000 0.410 70 E N -0.786 119.509 120.200 0.159 0.000 2.283 70 E HA 0.125 4.555 4.350 0.134 0.000 0.271 70 E C -1.697 175.080 176.600 0.294 0.000 1.031 70 E CA 0.351 56.863 56.400 0.187 0.000 0.868 70 E CB 1.584 31.342 29.700 0.096 0.000 1.094 70 E HN -0.578 7.854 8.360 0.179 0.036 0.401 71 D N 0.921 121.477 120.400 0.261 0.000 2.957 71 D HA 0.047 4.893 4.640 0.343 0.000 0.175 71 D C -1.163 175.333 176.300 0.326 0.000 1.502 71 D CA 0.980 55.146 54.000 0.277 0.000 1.524 71 D CB 2.326 43.206 40.800 0.134 0.000 1.300 71 D HN 0.104 8.580 8.370 0.176 0.000 0.241 72 N N 1.159 119.962 118.700 0.172 0.000 2.401 72 N HA 0.154 5.119 4.740 0.177 -0.118 0.255 72 N C 2.110 177.631 175.510 0.019 0.000 1.110 72 N CA -0.424 52.699 53.050 0.121 0.000 0.949 72 N CB 0.482 39.013 38.487 0.074 0.000 1.110 72 N HN -0.534 8.190 8.380 0.126 -0.269 0.490 73 I N 0.221 120.713 120.570 -0.129 0.000 3.291 73 I HA -0.067 4.106 4.170 -0.257 -0.158 0.279 73 I C -0.333 175.703 176.117 -0.136 0.000 1.294 73 I CA 1.281 62.406 61.300 -0.293 0.000 1.428 73 I CB -0.681 36.891 38.000 -0.713 0.000 1.070 73 I HN 0.448 8.591 8.210 -0.112 0.000 0.478 74 N N -2.164 116.502 118.700 -0.056 0.000 2.205 74 N HA 0.136 4.862 4.740 -0.024 0.000 0.201 74 N C -0.949 174.569 175.510 0.013 0.000 1.128 74 N CA -0.028 53.013 53.050 -0.016 0.000 0.867 74 N CB 1.920 40.407 38.487 -0.000 0.000 0.996 74 N HN -0.049 8.593 8.380 -0.035 -0.284 0.503 75 V N 0.384 120.312 119.914 0.022 0.000 2.638 75 V HA 0.042 4.180 4.120 0.029 0.000 0.306 75 V C -1.421 174.695 176.094 0.037 0.000 1.052 75 V CA -1.038 61.281 62.300 0.030 0.000 0.885 75 V CB 3.353 35.193 31.823 0.027 0.000 0.999 75 V HN -0.833 7.386 8.190 0.016 -0.020 0.424 76 V N 7.697 127.629 119.914 0.029 0.000 2.405 76 V HA -0.196 4.160 4.120 0.015 -0.227 0.264 76 V C 0.150 176.240 176.094 -0.007 0.000 1.048 76 V CA 0.782 63.083 62.300 0.002 0.000 0.966 76 V CB -0.278 31.525 31.823 -0.033 0.000 1.015 76 V HN 0.304 8.509 8.190 0.025 0.000 0.477 77 E N 8.031 128.230 120.200 -0.002 0.000 2.473 77 E HA 0.128 4.479 4.350 0.001 0.000 0.204 77 E C -0.178 176.415 176.600 -0.011 0.000 0.994 77 E CA -0.417 55.984 56.400 0.001 0.000 0.945 77 E CB 0.732 30.444 29.700 0.019 0.000 0.990 77 E HN 0.307 9.110 8.360 0.004 -0.441 0.493 78 G N 0.104 108.887 108.800 -0.029 0.000 2.576 78 G HA2 -0.225 3.698 3.960 -0.062 0.000 0.686 78 G HA3 -0.225 3.718 3.960 -0.028 0.000 0.686 78 G C -1.723 173.159 174.900 -0.029 0.000 1.242 78 G CA -0.705 44.371 45.100 -0.039 0.000 0.819 78 G HN -0.412 8.083 8.290 -0.039 -0.229 0.655 79 N N -3.878 114.800 118.700 -0.036 0.000 2.962 79 N HA -0.275 4.453 4.740 -0.020 0.000 0.206 79 N C -0.839 174.657 175.510 -0.023 0.000 0.907 79 N CA 1.358 54.397 53.050 -0.019 0.000 1.029 79 N CB -0.298 38.193 38.487 0.006 0.000 1.009 79 N HN 0.156 8.506 8.380 -0.050 0.000 0.587 80 E N -0.823 119.343 120.200 -0.058 0.000 2.373 80 E HA 0.070 4.676 4.350 0.036 -0.235 0.267 80 E C -0.142 176.380 176.600 -0.130 0.000 1.032 80 E CA 0.888 57.248 56.400 -0.067 0.000 0.889 80 E CB 0.383 29.968 29.700 -0.192 0.000 0.984 80 E HN -0.158 8.053 8.360 -0.077 0.102 0.425 81 Q N 2.049 121.846 119.800 -0.004 0.000 2.274 81 Q HA 0.262 4.550 4.340 -0.088 0.000 0.268 81 Q C -1.512 174.626 176.000 0.232 0.000 1.015 81 Q CA -1.167 54.642 55.803 0.010 0.000 0.775 81 Q CB 2.954 31.713 28.738 0.035 0.000 1.256 81 Q HN 0.139 8.478 8.270 0.116 0.000 0.442 82 F N 3.612 123.543 119.950 -0.032 0.000 2.388 82 F HA 0.391 5.052 4.527 -0.049 -0.162 0.358 82 F C -0.237 175.539 175.800 -0.040 0.000 1.122 82 F CA -2.897 55.078 58.000 -0.042 0.000 1.056 82 F CB 0.871 39.844 39.000 -0.044 0.000 1.155 82 F HN 0.368 8.704 8.300 0.061 0.000 0.461 83 I N 3.965 124.607 120.570 0.120 0.000 2.545 83 I HA 0.246 4.444 4.170 0.047 0.000 0.292 83 I C -1.348 174.766 176.117 -0.004 0.000 1.040 83 I CA -1.427 59.898 61.300 0.042 0.000 1.068 83 I CB 4.142 42.153 38.000 0.018 0.000 1.251 83 I HN 0.792 9.057 8.210 0.091 0.000 0.424 84 S N 5.007 120.697 115.700 -0.017 0.000 2.592 84 S HA 0.092 4.533 4.470 -0.048 0.000 0.271 84 S C -0.472 174.093 174.600 -0.058 0.000 1.326 84 S CA 0.639 58.815 58.200 -0.040 0.000 1.024 84 S CB 1.048 64.227 63.200 -0.035 0.000 0.921 84 S HN 0.416 8.721 8.310 -0.009 0.000 0.527 85 A N 3.880 126.662 122.820 -0.063 0.000 2.401 85 A HA 0.141 4.502 4.320 -0.097 -0.099 0.259 85 A C -0.231 177.305 177.584 -0.080 0.000 1.103 85 A CA -0.169 51.822 52.037 -0.077 0.000 0.789 85 A CB 0.520 19.487 19.000 -0.055 0.000 1.035 85 A HN -0.152 7.963 8.150 -0.059 0.000 0.491 86 S N 3.523 119.155 115.700 -0.114 0.000 2.404 86 S HA 0.040 4.467 4.470 -0.071 0.000 0.223 86 S C 0.362 174.921 174.600 -0.069 0.000 1.040 86 S CA 1.467 59.608 58.200 -0.098 0.000 0.957 86 S CB 0.863 63.980 63.200 -0.138 0.000 0.826 86 S HN 0.811 8.905 8.310 -0.163 0.119 0.491 87 K N -0.160 120.194 120.400 -0.078 0.000 2.568 87 K HA 0.274 4.613 4.320 0.032 0.000 0.273 87 K C -2.342 174.285 176.600 0.045 0.000 0.951 87 K CA -0.577 55.710 56.287 0.001 0.000 0.854 87 K CB 3.362 35.870 32.500 0.013 0.000 1.424 87 K HN -0.774 7.395 8.250 -0.136 0.000 0.427 88 S N 1.270 117.054 115.700 0.140 0.000 2.482 88 S HA 0.668 5.393 4.470 0.175 -0.150 0.303 88 S C -0.839 173.888 174.600 0.213 0.000 1.091 88 S CA -0.453 57.873 58.200 0.209 0.000 1.057 88 S CB 2.527 65.925 63.200 0.331 0.000 1.031 88 S HN 0.195 8.604 8.310 0.165 0.000 0.485 89 I N 7.148 127.852 120.570 0.224 0.000 2.405 89 I HA 0.107 4.366 4.170 0.148 0.000 0.280 89 I C -1.545 174.708 176.117 0.227 0.000 1.027 89 I CA -0.820 60.603 61.300 0.205 0.000 1.161 89 I CB 1.437 39.572 38.000 0.225 0.000 1.300 89 I HN 0.994 9.354 8.210 0.251 0.000 0.463 90 V N 7.865 127.845 119.914 0.111 0.000 2.686 90 V HA -0.174 3.992 4.120 0.077 0.000 0.295 90 V C -0.312 175.861 176.094 0.131 0.000 1.055 90 V CA -0.467 61.867 62.300 0.058 0.000 1.050 90 V CB 0.853 32.612 31.823 -0.107 0.000 0.984 90 V HN 0.359 8.567 8.190 0.030 0.000 0.482 91 H N 8.873 127.937 119.070 -0.010 0.000 3.094 91 H HA -0.046 4.346 4.556 -0.273 0.000 0.320 91 H C -0.482 174.817 175.328 -0.049 0.000 1.000 91 H CA 0.480 56.394 56.048 -0.223 0.000 1.413 91 H CB 1.512 30.985 29.762 -0.483 0.000 1.405 91 H HN -0.241 8.092 8.280 0.088 0.000 0.586 92 P HA -0.099 4.316 4.420 -0.008 0.000 0.218 92 P C -0.396 176.933 177.300 0.049 0.000 1.148 92 P CA 1.459 64.510 63.100 -0.081 0.000 0.822 92 P CB 0.366 32.000 31.700 -0.110 0.000 0.784 93 S N -3.472 112.353 115.700 0.208 0.000 2.622 93 S HA 0.029 4.551 4.470 0.086 0.000 0.236 93 S C -0.590 174.115 174.600 0.176 0.000 0.956 93 S CA 0.013 58.326 58.200 0.188 0.000 0.971 93 S CB 0.306 63.613 63.200 0.179 0.000 0.782 93 S HN -0.442 8.035 8.310 0.325 0.029 0.468 94 Y N 3.682 124.037 120.300 0.091 0.000 2.526 94 Y HA -0.315 4.387 4.550 -0.031 -0.171 0.330 94 Y C -0.958 174.935 175.900 -0.013 0.000 1.156 94 Y CA 0.793 58.899 58.100 0.010 0.000 1.419 94 Y CB 0.813 39.282 38.460 0.015 0.000 1.250 94 Y HN -0.697 7.604 8.280 0.323 0.173 0.540 95 N N 7.401 125.726 118.700 -0.625 0.000 2.518 95 N HA 0.214 4.670 4.740 -0.473 0.000 0.254 95 N C -0.178 174.804 175.510 -0.880 0.000 0.979 95 N CA -1.319 51.383 53.050 -0.580 0.000 0.930 95 N CB 1.470 39.783 38.487 -0.289 0.000 1.152 95 N HN -0.225 7.902 8.380 -0.421 0.000 0.505 96 S N 6.802 121.979 115.700 -0.871 0.000 2.547 96 S HA -0.092 4.003 4.470 -0.624 0.000 0.235 96 S C 0.635 175.046 174.600 -0.315 0.000 0.980 96 S CA 2.213 60.077 58.200 -0.559 0.000 0.941 96 S CB -0.251 62.801 63.200 -0.247 0.000 0.763 96 S HN 0.637 8.532 8.310 -0.692 0.000 0.532 97 N N 1.909 120.431 118.700 -0.296 0.000 2.387 97 N HA 0.058 4.671 4.740 -0.211 0.000 0.176 97 N C 1.001 176.343 175.510 -0.280 0.000 1.022 97 N CA 2.207 55.115 53.050 -0.235 0.000 0.883 97 N CB 0.743 39.122 38.487 -0.181 0.000 1.019 97 N HN 0.308 8.732 8.380 -0.324 -0.239 0.435 98 T N -3.832 110.550 114.554 -0.287 0.000 3.014 98 T HA 0.070 4.202 4.350 -0.363 0.000 0.250 98 T C 0.203 174.692 174.700 -0.351 0.000 1.060 98 T CA 0.441 62.356 62.100 -0.308 0.000 1.040 98 T CB 1.731 70.478 68.868 -0.202 0.000 0.971 98 T HN -0.350 8.002 8.240 -0.282 -0.281 0.497 99 L N -3.795 117.262 121.223 -0.276 0.000 4.351 99 L HA -0.497 3.937 4.340 0.039 -0.071 0.410 99 L C -1.887 175.002 176.870 0.031 0.000 1.150 99 L CA 0.430 55.216 54.840 -0.091 0.000 0.961 99 L CB -2.595 39.345 42.059 -0.198 0.000 2.130 99 L HN -0.059 7.986 8.230 -0.309 0.000 0.787 100 N N -0.993 117.686 118.700 -0.036 0.000 2.518 100 N HA -0.164 4.619 4.740 0.072 0.000 0.266 100 N C 0.084 175.634 175.510 0.067 0.000 1.196 100 N CA 0.719 53.784 53.050 0.025 0.000 0.947 100 N CB 1.204 39.679 38.487 -0.020 0.000 1.098 100 N HN -0.742 7.516 8.380 -0.129 0.044 0.450 101 N N -0.882 117.855 118.700 0.061 0.000 2.758 101 N HA -0.471 4.194 4.740 -0.126 0.000 0.248 101 N C -1.496 173.996 175.510 -0.031 0.000 1.076 101 N CA 1.398 54.389 53.050 -0.098 0.000 0.696 101 N CB -1.518 36.802 38.487 -0.278 0.000 0.979 101 N HN 0.597 9.038 8.380 0.102 0.000 0.550 102 D N -1.114 119.311 120.400 0.043 0.000 2.551 102 D HA 0.045 4.692 4.640 0.012 0.000 0.223 102 D C -1.644 174.580 176.300 -0.127 0.000 1.144 102 D CA -0.323 53.702 54.000 0.042 0.000 1.025 102 D CB -0.747 40.166 40.800 0.189 0.000 1.085 102 D HN -0.192 8.215 8.370 0.062 0.000 0.506 103 I N 2.112 122.549 120.570 -0.223 0.000 2.802 103 I HA 0.567 4.837 4.170 -0.103 -0.161 0.298 103 I C -3.074 173.017 176.117 -0.043 0.000 1.176 103 I CA -1.528 59.669 61.300 -0.170 0.000 1.025 103 I CB 4.177 41.949 38.000 -0.381 0.000 1.243 103 I HN -0.131 7.903 8.210 -0.234 0.036 0.424 104 M N 5.867 125.509 119.600 0.070 0.000 2.470 104 M HA 0.671 5.462 4.480 0.243 -0.165 0.285 104 M C -2.717 173.715 176.300 0.220 0.000 1.213 104 M CA -1.044 54.355 55.300 0.165 0.000 0.901 104 M CB 4.838 37.493 32.600 0.091 0.000 1.718 104 M HN 0.487 8.812 8.290 0.059 0.000 0.469 105 L N 3.164 124.550 121.223 0.271 0.000 2.334 105 L HA 0.821 5.466 4.340 0.249 -0.156 0.276 105 L C -1.355 175.707 176.870 0.321 0.000 1.014 105 L CA -1.433 53.577 54.840 0.283 0.000 0.815 105 L CB 3.205 45.396 42.059 0.219 0.000 1.268 105 L HN 0.352 8.764 8.230 0.303 0.000 0.428 106 I N 0.828 121.577 120.570 0.298 0.000 2.465 106 I HA 0.525 4.920 4.170 0.117 -0.155 0.291 106 I C -1.616 174.470 176.117 -0.051 0.000 1.014 106 I CA -1.372 60.003 61.300 0.126 0.000 1.093 106 I CB 3.151 41.191 38.000 0.067 0.000 1.267 106 I HN 0.946 9.353 8.210 0.329 0.000 0.431 107 K N 6.467 126.642 120.400 -0.375 0.000 2.159 107 K HA 0.612 4.252 4.320 -1.372 -0.143 0.266 107 K C -1.131 175.183 176.600 -0.477 0.000 0.975 107 K CA -1.815 53.891 56.287 -0.969 0.000 0.865 107 K CB 3.061 34.836 32.500 -1.208 0.000 1.087 107 K HN 0.690 8.803 8.250 -0.228 0.000 0.446 108 L N 4.336 125.308 121.223 -0.419 0.000 2.375 108 L HA 0.253 4.603 4.340 -0.167 -0.110 0.271 108 L C 1.765 178.517 176.870 -0.197 0.000 1.107 108 L CA -0.214 54.495 54.840 -0.220 0.000 0.806 108 L CB 0.527 42.499 42.059 -0.145 0.000 1.146 108 L HN 0.778 8.680 8.230 -0.547 0.000 0.447 109 K N 2.860 123.185 120.400 -0.126 0.000 2.057 109 K HA -0.308 3.947 4.320 -0.107 0.000 0.207 109 K C -0.392 176.159 176.600 -0.083 0.000 1.049 109 K CA 2.786 59.016 56.287 -0.095 0.000 0.931 109 K CB 0.424 32.887 32.500 -0.062 0.000 0.714 109 K HN 0.558 8.746 8.250 -0.103 0.000 0.440 110 S N -3.941 111.718 115.700 -0.069 0.000 2.599 110 S HA 0.149 4.588 4.470 -0.051 0.000 0.287 110 S C -1.674 172.896 174.600 -0.049 0.000 1.105 110 S CA -1.193 56.977 58.200 -0.050 0.000 0.899 110 S CB 2.810 65.992 63.200 -0.029 0.000 1.100 110 S HN -0.432 7.840 8.310 -0.064 0.000 0.482 111 A N 0.081 122.881 122.820 -0.034 0.000 2.407 111 A HA 0.094 4.533 4.320 -0.032 -0.138 0.248 111 A C -0.268 177.313 177.584 -0.004 0.000 1.082 111 A CA -0.221 51.805 52.037 -0.019 0.000 0.785 111 A CB 0.433 19.432 19.000 -0.002 0.000 1.020 111 A HN 0.243 8.376 8.150 -0.028 0.000 0.489 112 A N 0.919 123.744 122.820 0.008 0.000 2.304 112 A HA 0.195 4.590 4.320 0.013 -0.067 0.271 112 A C -0.565 177.031 177.584 0.020 0.000 1.091 112 A CA -1.281 50.766 52.037 0.018 0.000 0.812 112 A CB 1.446 20.465 19.000 0.032 0.000 1.056 112 A HN 0.357 8.406 8.150 0.011 0.108 0.489 113 S N 0.103 115.814 115.700 0.017 0.000 2.430 113 S HA 0.098 4.578 4.470 0.016 0.000 0.289 113 S C -0.527 174.087 174.600 0.024 0.000 1.143 113 S CA -0.531 57.678 58.200 0.016 0.000 1.067 113 S CB 0.507 63.712 63.200 0.007 0.000 0.964 113 S HN 0.063 8.738 8.310 0.015 -0.356 0.485 114 L N 6.006 127.246 121.223 0.029 0.000 2.334 114 L HA 0.210 4.690 4.340 0.041 -0.115 0.277 114 L C -0.485 176.403 176.870 0.030 0.000 1.075 114 L CA -0.258 54.604 54.840 0.037 0.000 0.804 114 L CB 0.636 42.722 42.059 0.044 0.000 1.174 114 L HN 0.229 8.476 8.230 0.027 0.000 0.438 115 N N 3.086 121.805 118.700 0.032 0.000 3.587 115 N HA 0.207 4.961 4.740 0.024 0.000 0.339 115 N C -1.337 174.191 175.510 0.030 0.000 1.636 115 N CA -0.669 52.396 53.050 0.026 0.000 0.788 115 N CB 0.677 39.175 38.487 0.019 0.000 2.205 115 N HN 0.324 8.620 8.380 0.038 0.107 0.600 116 S N -2.951 112.764 115.700 0.025 0.000 2.461 116 S HA -0.154 4.337 4.470 0.034 0.000 0.228 116 S C 0.749 175.366 174.600 0.028 0.000 1.005 116 S CA 1.976 60.193 58.200 0.028 0.000 0.942 116 S CB 0.145 63.358 63.200 0.022 0.000 0.776 116 S HN 0.040 8.362 8.310 0.020 0.000 0.514 117 R N -0.873 119.641 120.500 0.024 0.000 2.254 117 R HA 0.136 4.485 4.340 0.015 0.000 0.195 117 R C -1.114 175.202 176.300 0.027 0.000 0.957 117 R CA 0.171 56.283 56.100 0.020 0.000 1.024 117 R CB 0.903 31.214 30.300 0.018 0.000 0.952 117 R HN -0.066 8.457 8.270 0.022 -0.240 0.484 118 V N -1.396 118.540 119.914 0.037 0.000 2.409 118 V HA 0.243 4.569 4.120 0.051 -0.176 0.290 118 V C -2.164 173.969 176.094 0.065 0.000 1.017 118 V CA -1.013 61.318 62.300 0.050 0.000 0.841 118 V CB 2.341 34.192 31.823 0.047 0.000 1.003 118 V HN -0.276 8.174 8.190 0.035 -0.238 0.426 119 A N 6.739 129.614 122.820 0.092 0.000 2.556 119 A HA 0.487 4.858 4.320 0.086 0.000 0.294 119 A C -2.760 174.915 177.584 0.152 0.000 1.091 119 A CA -1.192 50.910 52.037 0.109 0.000 0.704 119 A CB 3.448 22.514 19.000 0.110 0.000 1.300 119 A HN 0.484 8.570 8.150 0.099 0.123 0.406 120 S N -1.416 114.357 115.700 0.122 0.000 2.646 120 S HA 0.411 5.110 4.470 0.154 -0.136 0.276 120 S C -0.512 174.137 174.600 0.081 0.000 1.222 120 S CA -0.958 57.313 58.200 0.118 0.000 1.014 120 S CB 1.487 64.737 63.200 0.084 0.000 0.991 120 S HN -0.023 8.344 8.310 0.094 0.000 0.533 121 I N 0.943 121.514 120.570 0.002 0.000 2.607 121 I HA 0.221 4.311 4.170 -0.134 0.000 0.305 121 I C -1.038 175.023 176.117 -0.094 0.000 0.995 121 I CA -1.518 59.681 61.300 -0.168 0.000 1.148 121 I CB 3.795 41.459 38.000 -0.559 0.000 1.323 121 I HN 0.164 8.392 8.210 0.029 0.000 0.461 122 S N 5.433 121.077 115.700 -0.092 0.000 2.586 122 S HA 0.243 4.696 4.470 -0.030 0.000 0.274 122 S C -0.701 173.871 174.600 -0.048 0.000 1.281 122 S CA -0.383 57.787 58.200 -0.050 0.000 1.035 122 S CB 0.920 64.097 63.200 -0.039 0.000 0.962 122 S HN 0.160 8.400 8.310 -0.116 0.000 0.512 123 L N 2.836 124.045 121.223 -0.022 0.000 2.418 123 L HA 0.155 4.496 4.340 0.001 0.000 0.265 123 L C -1.275 175.592 176.870 -0.005 0.000 1.143 123 L CA -1.852 52.986 54.840 -0.003 0.000 0.809 123 L CB 0.096 42.161 42.059 0.010 0.000 1.124 123 L HN 0.248 8.468 8.230 -0.017 0.000 0.456 124 P HA 0.128 4.538 4.420 -0.017 0.000 0.276 124 P C -1.213 176.087 177.300 -0.000 0.000 1.252 124 P CA -0.718 62.379 63.100 -0.005 0.000 0.802 124 P CB 0.761 32.458 31.700 -0.006 0.000 1.035 128 c N 0.626 119.202 118.600 -0.040 0.000 2.500 128 c HA 0.077 4.611 4.570 -0.061 0.000 0.367 128 c C 0.007 174.038 174.090 -0.098 0.000 1.283 128 c CA -0.660 55.631 56.329 -0.065 0.000 2.456 128 c CB 0.459 42.935 42.510 -0.056 0.000 2.457 128 c HN -0.032 8.178 8.230 -0.034 0.000 0.632 129 A N 0.803 123.528 122.820 -0.159 0.000 2.279 129 A HA 0.098 4.345 4.320 -0.122 0.000 0.303 129 A C -0.851 176.630 177.584 -0.171 0.000 1.108 129 A CA -0.380 51.554 52.037 -0.171 0.000 0.830 129 A CB 1.198 20.059 19.000 -0.233 0.000 1.106 129 A HN 0.220 8.247 8.150 -0.206 0.000 0.493 133 G N 1.918 110.679 108.800 -0.064 0.000 2.253 133 G HA2 -0.328 3.598 3.960 -0.055 0.000 0.251 133 G HA3 -0.328 3.605 3.960 -0.045 0.000 0.251 133 G C 0.296 175.158 174.900 -0.064 0.000 0.998 133 G CA 0.040 45.106 45.100 -0.056 0.000 0.621 133 G HN 0.791 8.934 8.290 -0.066 0.108 0.524 134 T N 3.387 117.892 114.554 -0.083 0.000 2.946 134 T HA -0.205 4.107 4.350 -0.063 0.000 0.311 134 T C -1.123 173.532 174.700 -0.075 0.000 1.063 134 T CA 2.494 64.545 62.100 -0.082 0.000 1.139 134 T CB 0.743 69.544 68.868 -0.112 0.000 0.994 134 T HN -0.428 7.677 8.240 -0.097 0.076 0.547 135 Q N 5.167 124.937 119.800 -0.050 0.000 2.256 135 Q HA 0.180 4.495 4.340 -0.042 0.000 0.254 135 Q C -1.021 174.961 176.000 -0.030 0.000 0.916 135 Q CA 0.043 55.828 55.803 -0.032 0.000 0.932 135 Q CB 1.463 30.198 28.738 -0.005 0.000 1.207 135 Q HN 0.245 8.489 8.270 -0.043 0.000 0.426 136 c N 3.449 122.033 118.600 -0.027 0.000 2.971 136 c HA 0.648 5.315 4.570 -0.016 -0.106 0.310 136 c C -1.847 172.249 174.090 0.009 0.000 1.285 136 c CA -1.567 54.748 56.329 -0.022 0.000 1.593 136 c CB 4.319 46.796 42.510 -0.056 0.000 2.076 136 c HN 0.750 8.852 8.230 -0.029 0.111 0.472 137 L N 1.107 122.344 121.223 0.023 0.000 2.305 137 L HA 0.865 5.414 4.340 0.052 -0.178 0.284 137 L C -2.123 174.760 176.870 0.022 0.000 1.013 137 L CA -1.356 53.511 54.840 0.044 0.000 0.819 137 L CB 2.928 45.036 42.059 0.081 0.000 1.227 137 L HN 0.653 8.788 8.230 0.018 0.106 0.417 138 I N 7.687 128.254 120.570 -0.005 0.000 2.474 138 I HA 0.814 5.207 4.170 0.003 -0.220 0.294 138 I C -1.329 174.753 176.117 -0.058 0.000 1.005 138 I CA -1.435 59.855 61.300 -0.016 0.000 1.113 138 I CB 2.437 40.427 38.000 -0.018 0.000 1.289 138 I HN 0.860 9.069 8.210 -0.001 0.000 0.436 139 S N 2.707 118.365 115.700 -0.070 0.000 2.618 139 S HA 1.006 5.492 4.470 -0.231 -0.155 0.277 139 S C -1.137 173.339 174.600 -0.206 0.000 1.138 139 S CA -1.824 56.261 58.200 -0.193 0.000 0.844 139 S CB 3.739 66.787 63.200 -0.253 0.000 1.127 139 S HN -0.214 8.086 8.310 -0.018 0.000 0.474 140 G N -1.248 107.335 108.800 -0.362 0.000 2.321 140 G HA2 0.134 3.833 3.960 -0.436 0.000 0.298 140 G HA3 0.134 4.180 3.960 -0.072 -0.129 0.298 140 G C -2.262 172.409 174.900 -0.382 0.000 1.385 140 G CA 0.529 45.436 45.100 -0.321 0.000 0.856 140 G HN 0.269 8.287 8.290 -0.454 0.000 0.584 141 W N 1.222 122.461 121.300 -0.102 0.000 3.015 141 W HA 0.359 4.965 4.660 -0.090 0.000 0.429 141 W C -0.259 176.300 176.519 0.068 0.000 0.976 141 W CA -0.971 56.288 57.345 -0.144 0.000 2.086 141 W CB 0.012 29.177 29.460 -0.491 0.000 1.125 141 W HN 0.595 8.929 8.180 0.257 0.000 0.721 142 G N 0.806 109.774 108.800 0.281 0.000 2.621 142 G HA2 -0.043 4.268 3.960 0.558 0.000 0.271 142 G HA3 -0.043 4.241 3.960 0.258 -0.170 0.271 142 G C -0.978 173.992 174.900 0.115 0.000 1.236 142 G CA -0.832 44.464 45.100 0.327 0.000 0.958 142 G HN -0.449 8.082 8.290 0.163 -0.143 0.512 143 N N -0.404 118.240 118.700 -0.092 0.000 2.353 143 N HA -0.311 4.058 4.740 -0.899 -0.169 0.248 143 N C 0.863 176.258 175.510 -0.192 0.000 1.240 143 N CA 1.141 53.916 53.050 -0.458 0.000 0.862 143 N CB 0.621 38.860 38.487 -0.413 0.000 1.086 143 N HN 0.057 8.497 8.380 0.100 0.000 0.453 144 T N 0.098 114.538 114.554 -0.191 0.000 3.054 144 T HA 0.198 4.635 4.350 -0.066 -0.126 0.255 144 T C 0.193 174.849 174.700 -0.074 0.000 1.035 144 T CA 0.372 62.417 62.100 -0.092 0.000 0.941 144 T CB 1.399 70.228 68.868 -0.065 0.000 1.026 144 T HN 0.319 8.398 8.240 -0.269 0.000 0.533 145 K N 2.299 122.643 120.400 -0.093 0.000 2.259 145 K HA 0.282 4.580 4.320 -0.037 0.000 0.252 145 K C -0.586 175.992 176.600 -0.036 0.000 0.936 145 K CA -1.193 55.062 56.287 -0.054 0.000 0.810 145 K CB 2.571 35.040 32.500 -0.052 0.000 1.143 145 K HN -0.376 8.091 8.250 -0.145 -0.304 0.427 146 S N 0.486 116.178 115.700 -0.014 0.000 2.458 146 S HA -0.099 4.375 4.470 0.007 0.000 0.223 146 S C -0.016 174.588 174.600 0.007 0.000 1.019 146 S CA 1.780 59.982 58.200 0.003 0.000 0.937 146 S CB 0.806 64.013 63.200 0.012 0.000 0.788 146 S HN 0.110 8.413 8.310 -0.012 0.000 0.511 147 S N 1.811 117.512 115.700 0.002 0.000 2.426 147 S HA 0.193 4.670 4.470 0.013 0.000 0.236 147 S C -0.829 173.773 174.600 0.002 0.000 1.368 147 S CA -0.222 57.982 58.200 0.007 0.000 1.154 147 S CB -0.300 62.905 63.200 0.008 0.000 1.037 147 S HN -0.492 7.792 8.310 -0.004 0.024 0.481 148 G N 1.709 110.511 108.800 0.002 0.000 2.354 148 G HA2 -0.182 3.787 3.960 0.015 0.000 0.582 148 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.582 148 G C -2.764 172.126 174.900 -0.018 0.000 1.316 148 G CA -0.702 44.399 45.100 0.002 0.000 0.995 148 G HN -0.289 8.005 8.290 0.007 0.000 0.573 149 T N -3.701 110.846 114.554 -0.011 0.000 2.815 149 T HA 0.119 4.526 4.350 -0.164 -0.155 0.289 149 T C -1.398 173.252 174.700 -0.083 0.000 1.000 149 T CA -1.187 60.877 62.100 -0.060 0.000 0.958 149 T CB 1.710 70.636 68.868 0.096 0.000 0.944 149 T HN -0.171 8.077 8.240 0.014 0.000 0.442 150 S N 4.705 120.269 115.700 -0.227 0.000 2.779 150 S HA 0.248 4.726 4.470 0.013 0.000 0.293 150 S C -2.127 172.337 174.600 -0.227 0.000 1.150 150 S CA -0.660 57.480 58.200 -0.101 0.000 1.057 150 S CB 1.328 64.491 63.200 -0.061 0.000 1.021 150 S HN 0.594 9.050 8.310 -0.387 -0.379 0.485 151 Y N 5.568 125.909 120.300 0.068 0.000 2.342 151 Y HA 0.225 4.833 4.550 0.097 0.000 0.334 151 Y C -0.909 175.042 175.900 0.085 0.000 1.067 151 Y CA -2.697 55.457 58.100 0.090 0.000 1.128 151 Y CB 1.275 39.800 38.460 0.108 0.000 1.200 151 Y HN 0.135 8.579 8.280 0.272 0.000 0.464 152 P HA 0.284 4.782 4.420 0.130 0.000 0.278 152 P C -1.603 175.829 177.300 0.220 0.000 1.266 152 P CA -1.123 62.081 63.100 0.174 0.000 0.807 152 P CB 1.965 33.737 31.700 0.121 0.000 1.094 153 D N -2.552 117.952 120.400 0.174 0.000 2.262 153 D HA -0.034 4.677 4.640 0.118 0.000 0.212 153 D C -0.675 175.782 176.300 0.262 0.000 0.964 153 D CA 1.849 55.943 54.000 0.156 0.000 0.875 153 D CB 0.872 41.730 40.800 0.097 0.000 0.996 153 D HN 0.390 8.841 8.370 0.136 0.000 0.497 154 V N -7.205 112.856 119.914 0.245 0.000 2.966 154 V HA 0.728 5.287 4.120 0.434 -0.178 0.317 154 V C -0.487 175.657 176.094 0.083 0.000 1.070 154 V CA -2.582 59.876 62.300 0.264 0.000 1.008 154 V CB 2.045 33.936 31.823 0.114 0.000 1.070 154 V HN -0.973 7.316 8.190 0.165 0.000 0.457 155 L N 1.769 122.894 121.223 -0.165 0.000 2.499 155 L HA -0.066 3.380 4.340 -1.490 0.000 0.273 155 L C -0.575 176.019 176.870 -0.461 0.000 1.195 155 L CA 0.827 55.203 54.840 -0.773 0.000 0.882 155 L CB 0.348 41.969 42.059 -0.729 0.000 1.133 155 L HN -0.243 8.196 8.230 0.064 -0.170 0.483 156 K N 5.767 125.879 120.400 -0.481 0.000 2.156 156 K HA 0.575 4.830 4.320 -0.332 -0.133 0.250 156 K C -1.229 175.109 176.600 -0.437 0.000 0.955 156 K CA -2.382 53.687 56.287 -0.363 0.000 0.855 156 K CB 2.597 34.948 32.500 -0.249 0.000 1.101 156 K HN -0.163 7.724 8.250 -0.605 0.000 0.434 157 c N -0.756 117.485 118.600 -0.599 0.000 2.707 157 c HA 0.933 5.423 4.570 -0.409 -0.165 0.313 157 c C -1.802 171.911 174.090 -0.629 0.000 1.209 157 c CA -0.683 55.243 56.329 -0.672 0.000 1.635 157 c CB 3.563 45.526 42.510 -0.911 0.000 2.206 157 c HN 0.694 8.499 8.230 -0.708 0.000 0.485 158 L N 0.233 121.305 121.223 -0.252 0.000 2.482 158 L HA 0.386 4.764 4.340 0.063 0.000 0.263 158 L C -2.492 174.444 176.870 0.110 0.000 0.957 158 L CA 0.053 54.890 54.840 -0.005 0.000 0.836 158 L CB 4.490 46.566 42.059 0.029 0.000 1.324 158 L HN 0.710 8.831 8.230 -0.181 0.000 0.406 159 K N 5.616 126.146 120.400 0.216 0.000 2.213 159 K HA 0.844 5.439 4.320 0.127 -0.198 0.270 159 K C -1.029 175.700 176.600 0.214 0.000 1.002 159 K CA -1.461 54.935 56.287 0.183 0.000 0.868 159 K CB 1.307 33.920 32.500 0.188 0.000 1.093 159 K HN 0.342 8.753 8.250 0.269 0.000 0.454 160 A N 4.119 126.998 122.820 0.100 0.000 2.549 160 A HA 0.660 4.968 4.320 -0.020 0.000 0.297 160 A C -3.386 174.126 177.584 -0.120 0.000 1.061 160 A CA -2.544 49.480 52.037 -0.022 0.000 0.690 160 A CB 3.148 22.139 19.000 -0.015 0.000 1.287 160 A HN 0.990 9.064 8.150 0.049 0.106 0.402 161 P HA 0.777 5.352 4.420 -0.103 -0.217 0.284 161 P C -0.997 176.231 177.300 -0.119 0.000 1.258 161 P CA -1.513 61.497 63.100 -0.149 0.000 0.824 161 P CB 1.555 33.167 31.700 -0.147 0.000 1.038 162 I N 0.372 120.887 120.570 -0.092 0.000 2.529 162 I HA -0.088 4.222 4.170 0.056 -0.106 0.284 162 I C 0.149 176.250 176.117 -0.026 0.000 1.082 162 I CA 0.711 61.983 61.300 -0.046 0.000 1.406 162 I CB 0.248 38.137 38.000 -0.186 0.000 1.405 162 I HN 0.123 8.270 8.210 -0.106 0.000 0.548 163 L N 6.703 127.946 121.223 0.034 0.000 2.431 163 L HA 0.233 4.562 4.340 -0.019 0.000 0.260 163 L C -0.194 176.691 176.870 0.026 0.000 1.098 163 L CA -0.862 53.987 54.840 0.015 0.000 0.800 163 L CB 0.729 42.807 42.059 0.031 0.000 1.210 163 L HN 0.300 8.489 8.230 0.112 0.108 0.465 164 S N -1.334 114.375 115.700 0.015 0.000 2.603 164 S HA -0.006 4.470 4.470 0.009 0.000 0.268 164 S C 0.363 174.987 174.600 0.040 0.000 1.317 164 S CA -0.568 57.642 58.200 0.017 0.000 1.012 164 S CB 1.375 64.580 63.200 0.008 0.000 0.926 164 S HN -0.037 8.277 8.310 0.007 0.000 0.539 165 D N 1.540 121.965 120.400 0.042 0.000 2.178 165 D HA -0.204 4.485 4.640 0.082 0.000 0.201 165 D C 1.511 177.841 176.300 0.051 0.000 0.980 165 D CA 3.460 57.496 54.000 0.059 0.000 0.842 165 D CB -0.475 40.357 40.800 0.052 0.000 0.948 165 D HN 0.601 8.988 8.370 0.029 0.000 0.472 166 S N -1.155 114.566 115.700 0.035 0.000 2.383 166 S HA -0.262 4.228 4.470 0.033 0.000 0.227 166 S C 2.071 176.687 174.600 0.027 0.000 1.026 166 S CA 3.251 61.468 58.200 0.029 0.000 0.981 166 S CB -0.758 62.453 63.200 0.018 0.000 0.818 166 S HN 0.023 8.333 8.310 0.028 0.017 0.472 167 S N 3.776 119.490 115.700 0.023 0.000 2.383 167 S HA -0.214 4.258 4.470 0.004 0.000 0.227 167 S C 1.791 176.403 174.600 0.021 0.000 1.026 167 S CA 4.155 62.363 58.200 0.013 0.000 0.981 167 S CB -0.116 63.089 63.200 0.007 0.000 0.818 167 S HN -0.512 7.812 8.310 0.023 0.000 0.472 168 c N 3.449 122.080 118.600 0.053 0.000 2.436 168 c HA -0.316 4.308 4.570 0.091 0.000 0.277 168 c C 1.600 175.759 174.090 0.116 0.000 1.241 168 c CA 2.679 59.066 56.329 0.096 0.000 1.721 168 c CB -1.680 40.903 42.510 0.122 0.000 2.043 168 c HN -0.153 8.100 8.230 0.055 0.011 0.472 169 K N -1.159 119.301 120.400 0.099 0.000 2.209 169 K HA -0.318 4.093 4.320 0.152 0.000 0.204 169 K C 2.405 179.047 176.600 0.070 0.000 1.048 169 K CA 2.876 59.226 56.287 0.104 0.000 0.940 169 K CB -0.330 32.218 32.500 0.080 0.000 0.729 169 K HN 0.055 8.355 8.250 0.084 0.000 0.451 170 S N -1.403 114.316 115.700 0.031 0.000 2.406 170 S HA -0.188 4.288 4.470 0.011 0.000 0.228 170 S C 1.301 175.875 174.600 -0.043 0.000 1.020 170 S CA 2.608 60.809 58.200 0.001 0.000 0.965 170 S CB 0.007 63.202 63.200 -0.007 0.000 0.798 170 S HN -0.515 7.695 8.310 0.032 0.119 0.488 171 A N 0.018 122.781 122.820 -0.095 0.000 1.930 171 A HA -0.071 4.096 4.320 -0.255 0.000 0.215 171 A C -0.164 177.170 177.584 -0.417 0.000 1.176 171 A CA 1.976 53.828 52.037 -0.309 0.000 0.632 171 A CB 0.929 19.663 19.000 -0.444 0.000 0.819 171 A HN -0.623 7.371 8.150 -0.049 0.127 0.445 172 Y N -5.375 114.962 120.300 0.061 0.000 2.553 172 Y HA 0.483 5.107 4.550 0.123 0.000 0.369 172 Y C -2.375 173.588 175.900 0.104 0.000 0.964 172 Y CA -3.740 54.430 58.100 0.118 0.000 1.156 172 Y CB -0.334 38.238 38.460 0.187 0.000 1.218 172 Y HN -0.468 7.855 8.280 0.072 0.000 0.630 173 P HA -0.074 4.533 4.420 0.112 -0.120 0.265 173 P C 0.851 178.221 177.300 0.118 0.000 1.193 173 P CA 1.084 64.254 63.100 0.117 0.000 0.765 173 P CB 0.219 31.960 31.700 0.068 0.000 0.823 174 G N 3.702 112.560 108.800 0.096 0.000 2.189 174 G HA2 -0.363 3.630 3.960 0.055 0.000 0.267 174 G HA3 -0.363 3.629 3.960 0.053 0.000 0.267 174 G C 0.133 175.079 174.900 0.077 0.000 0.975 174 G CA 0.645 45.786 45.100 0.069 0.000 0.644 174 G HN 0.503 8.847 8.290 0.091 0.000 0.537 175 Q N -2.161 117.722 119.800 0.137 0.000 2.217 175 Q HA 0.095 4.454 4.340 0.031 0.000 0.217 175 Q C -0.507 175.613 176.000 0.200 0.000 0.844 175 Q CA -0.440 55.439 55.803 0.126 0.000 0.957 175 Q CB 1.472 30.305 28.738 0.158 0.000 1.127 175 Q HN -0.332 7.977 8.270 0.187 0.073 0.503 176 I N 0.571 121.263 120.570 0.202 0.000 2.315 176 I HA 0.030 4.348 4.170 0.247 0.000 0.291 176 I C -0.336 175.857 176.117 0.126 0.000 1.006 176 I CA -2.134 59.281 61.300 0.191 0.000 1.265 176 I CB -1.014 37.092 38.000 0.176 0.000 1.387 176 I HN -0.464 7.855 8.210 0.182 0.000 0.475 177 T N 2.596 117.220 114.554 0.116 0.000 2.893 177 T HA 0.368 4.755 4.350 0.062 0.000 0.279 177 T C 0.805 175.553 174.700 0.079 0.000 0.991 177 T CA -2.060 60.087 62.100 0.077 0.000 0.950 177 T CB 2.203 71.106 68.868 0.058 0.000 1.223 177 T HN -0.411 7.915 8.240 0.143 0.000 0.585 178 S N -2.465 113.267 115.700 0.054 0.000 2.603 178 S HA -0.171 4.338 4.470 0.065 0.000 0.229 178 S C -0.059 174.578 174.600 0.063 0.000 0.972 178 S CA 1.541 59.771 58.200 0.050 0.000 0.935 178 S CB -0.194 63.017 63.200 0.017 0.000 0.769 178 S HN 0.232 8.564 8.310 0.036 0.000 0.536 179 N N 0.306 119.056 118.700 0.084 0.000 2.273 179 N HA 0.148 4.949 4.740 0.101 0.000 0.231 179 N C -1.843 173.781 175.510 0.190 0.000 1.134 179 N CA -0.412 52.717 53.050 0.132 0.000 0.856 179 N CB 0.908 39.494 38.487 0.165 0.000 1.068 179 N HN -0.574 7.772 8.380 0.082 0.083 0.510 180 M N -1.128 118.572 119.600 0.166 0.000 2.593 180 M HA 0.869 5.610 4.480 0.078 -0.214 0.290 180 M C -2.371 174.038 176.300 0.183 0.000 1.244 180 M CA -0.376 54.997 55.300 0.121 0.000 0.857 180 M CB 5.241 37.898 32.600 0.095 0.000 1.738 180 M HN -0.795 7.496 8.290 0.149 0.089 0.461 181 F N -6.244 113.755 119.950 0.083 0.000 2.668 181 F HA 0.607 5.170 4.527 0.060 0.000 0.309 181 F C -2.827 173.031 175.800 0.097 0.000 1.117 181 F CA -1.628 56.419 58.000 0.078 0.000 0.951 181 F CB 2.274 41.317 39.000 0.073 0.000 1.323 181 F HN 0.195 8.333 8.300 -0.270 0.000 0.451 182 c N -0.223 118.551 118.600 0.290 0.000 2.391 182 c HA 0.986 5.807 4.570 0.086 -0.200 0.339 182 c C -1.071 173.223 174.090 0.341 0.000 1.205 182 c CA -1.035 55.416 56.329 0.204 0.000 1.937 182 c CB 2.752 45.344 42.510 0.136 0.000 2.341 182 c HN 0.942 9.372 8.230 0.333 0.000 0.516 183 A N 2.786 125.796 122.820 0.317 0.000 2.476 183 A HA 0.676 5.204 4.320 0.097 -0.150 0.280 183 A C -2.254 175.382 177.584 0.086 0.000 1.081 183 A CA -0.489 51.645 52.037 0.161 0.000 0.753 183 A CB 2.702 21.715 19.000 0.022 0.000 1.248 183 A HN 0.364 8.733 8.150 0.365 0.000 0.424 184 Y N 2.980 123.311 120.300 0.051 0.000 2.404 184 Y HA 0.088 4.656 4.550 0.030 0.000 0.344 184 Y C 1.020 176.934 175.900 0.024 0.000 0.995 184 Y CA -0.181 57.939 58.100 0.033 0.000 1.201 184 Y CB 0.400 38.878 38.460 0.030 0.000 1.151 184 Y HN 0.218 8.620 8.280 0.203 0.000 0.517 185 L N 4.184 125.472 121.223 0.109 0.000 2.275 185 L HA -0.328 4.036 4.340 0.040 0.000 0.215 185 L C 1.130 178.042 176.870 0.069 0.000 1.119 185 L CA 2.285 57.161 54.840 0.059 0.000 0.790 185 L CB -0.454 41.620 42.059 0.025 0.000 0.919 185 L HN 0.529 8.807 8.230 0.081 0.000 0.443 186 E N -2.941 117.320 120.200 0.101 0.000 2.418 186 E HA -0.184 4.193 4.350 0.044 0.000 0.197 186 E C 0.214 176.849 176.600 0.059 0.000 1.026 186 E CA 0.327 56.767 56.400 0.067 0.000 0.862 186 E CB -0.288 29.448 29.700 0.061 0.000 0.799 186 E HN 0.088 8.502 8.360 0.148 0.035 0.518 187 G N 1.001 109.853 108.800 0.087 0.000 3.292 187 G HA2 -0.389 3.641 3.960 0.083 0.000 0.636 187 G HA3 -0.389 3.620 3.960 0.044 -0.022 0.636 187 G C -0.760 174.165 174.900 0.042 0.000 1.069 187 G CA -0.158 44.981 45.100 0.066 0.000 0.890 187 G HN -0.507 7.699 8.290 0.133 0.165 0.427 188 K N 1.584 121.980 120.400 -0.008 0.000 6.706 188 K HA -0.605 3.936 4.320 -0.004 -0.223 0.669 188 K C -1.284 175.404 176.600 0.146 0.000 2.465 188 K CA 0.701 56.993 56.287 0.008 0.000 1.801 188 K CB -0.096 32.299 32.500 -0.175 0.000 1.883 188 K HN 0.166 8.435 8.250 0.031 0.000 0.285 189 D N 0.376 120.849 120.400 0.121 0.000 2.764 189 D HA 0.270 5.032 4.640 0.202 0.000 0.293 189 D C -1.934 174.435 176.300 0.114 0.000 1.287 189 D CA -0.659 53.430 54.000 0.147 0.000 0.768 189 D CB 4.405 45.278 40.800 0.121 0.000 1.288 189 D HN 0.368 8.783 8.370 0.076 0.000 0.426 190 S N -1.234 114.550 115.700 0.140 0.000 2.707 190 S HA 0.385 4.981 4.470 0.091 -0.071 0.276 190 S C -1.258 173.394 174.600 0.088 0.000 1.179 190 S CA -0.866 57.408 58.200 0.123 0.000 0.992 190 S CB 1.549 64.870 63.200 0.200 0.000 1.030 190 S HN 0.305 8.719 8.310 0.174 0.000 0.554 191 c N -1.719 116.934 118.600 0.088 0.000 3.293 191 c HA 0.241 4.856 4.570 0.075 0.000 0.362 191 c C -1.541 172.627 174.090 0.130 0.000 1.539 191 c CA -0.631 55.748 56.329 0.084 0.000 1.201 191 c CB 2.716 45.256 42.510 0.049 0.000 1.770 191 c HN 0.204 8.767 8.230 0.102 -0.272 0.440 192 Q N 1.928 121.817 119.800 0.148 0.000 2.283 192 Q HA -0.392 4.078 4.340 0.217 0.000 0.301 192 Q C 0.967 177.150 176.000 0.304 0.000 1.063 192 Q CA 2.075 58.009 55.803 0.219 0.000 0.952 192 Q CB 0.413 29.284 28.738 0.221 0.000 1.166 192 Q HN 0.447 8.787 8.270 0.117 0.000 0.381 193 G N 6.681 115.667 108.800 0.311 0.000 2.279 193 G HA2 -0.426 3.874 3.960 0.318 0.000 0.223 193 G HA3 -0.426 3.865 3.960 0.552 0.000 0.223 193 G C 0.706 175.835 174.900 0.382 0.000 1.015 193 G CA 0.988 46.329 45.100 0.401 0.000 0.621 193 G HN 0.348 8.796 8.290 0.263 0.000 0.506 194 D N 2.603 123.164 120.400 0.268 0.000 2.305 194 D HA 0.062 4.842 4.640 0.232 0.000 0.206 194 D C 0.145 176.547 176.300 0.169 0.000 0.974 194 D CA 1.107 55.230 54.000 0.206 0.000 0.871 194 D CB 0.453 41.342 40.800 0.147 0.000 0.947 194 D HN -0.010 8.404 8.370 0.241 0.101 0.516 195 S N -0.434 115.361 115.700 0.158 0.000 2.715 195 S HA -0.617 4.059 4.470 0.132 -0.127 0.318 195 S C 0.926 175.536 174.600 0.017 0.000 1.242 195 S CA 2.487 60.748 58.200 0.102 0.000 1.044 195 S CB -0.183 63.084 63.200 0.112 0.000 0.760 195 S HN -0.576 7.879 8.310 0.188 -0.032 0.501 196 G N 4.951 113.753 108.800 0.002 0.000 2.253 196 G HA2 -0.449 3.569 3.960 -0.023 0.000 0.251 196 G HA3 -0.449 3.582 3.960 -0.057 -0.106 0.251 196 G C -0.230 174.705 174.900 0.057 0.000 0.998 196 G CA 0.223 45.316 45.100 -0.012 0.000 0.621 196 G HN 0.838 9.045 8.290 0.038 0.105 0.524 197 G N 0.905 109.763 108.800 0.096 0.000 2.588 197 G HA2 0.420 4.520 3.960 0.121 0.000 0.281 197 G HA3 0.420 4.452 3.960 0.120 0.000 0.281 197 G C -2.737 172.243 174.900 0.133 0.000 1.236 197 G CA -2.017 43.155 45.100 0.120 0.000 0.969 197 G HN -0.095 8.171 8.290 0.103 0.086 0.504 198 P HA 0.344 4.961 4.420 0.127 -0.121 0.284 198 P C -1.624 175.737 177.300 0.102 0.000 1.258 198 P CA -0.978 62.210 63.100 0.146 0.000 0.824 198 P CB 1.664 33.511 31.700 0.245 0.000 1.038 199 V N 2.182 122.136 119.914 0.068 0.000 2.419 199 V HA 0.276 4.546 4.120 -0.021 -0.163 0.287 199 V C -1.286 174.820 176.094 0.019 0.000 1.017 199 V CA -0.470 61.832 62.300 0.003 0.000 0.844 199 V CB 1.819 33.614 31.823 -0.048 0.000 1.011 199 V HN -0.259 7.979 8.190 0.079 0.000 0.429 200 V N 8.004 127.922 119.914 0.008 0.000 2.459 200 V HA 0.611 4.878 4.120 -0.060 -0.183 0.295 200 V C -1.378 174.699 176.094 -0.028 0.000 1.029 200 V CA -1.267 61.013 62.300 -0.034 0.000 0.874 200 V CB 3.049 34.842 31.823 -0.051 0.000 0.985 200 V HN 0.540 8.746 8.190 0.028 0.000 0.438 201 c N 7.106 125.677 118.600 -0.049 0.000 2.431 201 c HA 0.570 5.119 4.570 -0.035 0.000 0.321 201 c C 0.100 174.162 174.090 -0.047 0.000 1.202 201 c CA -1.183 55.115 56.329 -0.051 0.000 1.398 201 c CB 2.249 44.710 42.510 -0.082 0.000 2.047 201 c HN 0.712 8.906 8.230 -0.061 0.000 0.465 202 S N 5.460 121.140 115.700 -0.032 0.000 3.559 202 S HA -0.345 4.115 4.470 -0.017 0.000 0.369 202 S C 0.352 174.933 174.600 -0.031 0.000 0.987 202 S CA 0.987 59.170 58.200 -0.027 0.000 1.187 202 S CB -1.272 61.907 63.200 -0.034 0.000 0.914 202 S HN 1.133 9.428 8.310 -0.024 0.000 0.480 203 G N -5.042 103.739 108.800 -0.033 0.000 2.166 203 G HA2 -0.365 3.564 3.960 -0.052 0.000 0.260 203 G HA3 -0.365 3.576 3.960 -0.033 0.000 0.260 203 G C -0.734 174.117 174.900 -0.082 0.000 0.986 203 G CA 0.538 45.608 45.100 -0.050 0.000 0.683 203 G HN 0.309 8.578 8.290 -0.023 0.007 0.527 210 Q N 1.195 121.019 119.800 0.040 0.000 2.396 210 Q HA 0.191 4.573 4.340 0.071 0.000 0.220 210 Q C -0.186 175.990 176.000 0.294 0.000 0.900 210 Q CA 0.242 56.094 55.803 0.082 0.000 0.925 210 Q CB 2.670 31.372 28.738 -0.061 0.000 1.065 210 Q HN 0.347 8.631 8.270 0.022 0.000 0.535 211 G N -3.311 105.677 108.800 0.312 0.000 2.694 211 G HA2 0.633 5.090 3.960 0.404 0.000 0.290 211 G HA3 0.633 4.845 3.960 0.420 0.000 0.290 211 G C -3.196 171.823 174.900 0.197 0.000 1.386 211 G CA -0.918 44.395 45.100 0.355 0.000 0.872 211 G HN -0.416 7.989 8.290 0.191 0.000 0.475 212 I N -1.536 119.144 120.570 0.184 0.000 2.533 212 I HA 0.544 5.026 4.170 0.156 -0.219 0.290 212 I C -0.468 175.783 176.117 0.223 0.000 1.056 212 I CA -1.380 60.016 61.300 0.160 0.000 1.057 212 I CB 4.366 42.422 38.000 0.093 0.000 1.240 212 I HN -0.454 7.853 8.210 0.162 0.000 0.423 213 V N 7.183 127.243 119.914 0.245 0.000 2.493 213 V HA -0.183 4.059 4.120 0.203 0.000 0.292 213 V C -1.040 175.087 176.094 0.055 0.000 1.016 213 V CA 2.081 64.493 62.300 0.187 0.000 1.097 213 V CB -1.029 30.917 31.823 0.206 0.000 0.947 213 V HN 0.217 8.530 8.190 0.204 0.000 0.479 214 S N 7.548 123.181 115.700 -0.111 0.000 3.200 214 S HA 0.376 5.044 4.470 0.329 0.000 0.209 214 S C -1.475 173.224 174.600 0.164 0.000 0.869 214 S CA 0.719 58.990 58.200 0.119 0.000 0.820 214 S CB 2.827 66.082 63.200 0.091 0.000 0.834 214 S HN -0.065 7.966 8.310 -0.466 0.000 0.622 215 W N -4.472 116.675 121.300 -0.255 0.000 2.961 215 W HA 0.278 4.841 4.660 -0.161 0.000 0.368 215 W C -2.823 173.525 176.519 -0.284 0.000 1.213 215 W CA -0.840 56.362 57.345 -0.238 0.000 1.173 215 W CB 1.200 30.508 29.460 -0.254 0.000 1.487 215 W HN -0.419 7.416 8.180 -0.575 0.000 0.585 216 G N -3.233 105.597 108.800 0.050 0.000 2.356 216 G HA2 0.063 3.690 3.960 -0.555 0.000 0.294 216 G HA3 0.063 3.933 3.960 -0.151 0.000 0.294 216 G C -2.304 172.707 174.900 0.185 0.000 1.423 216 G CA 0.330 45.354 45.100 -0.127 0.000 0.806 216 G HN -0.059 8.428 8.290 0.328 0.000 0.527 220 c N 1.984 120.621 118.600 0.062 0.000 3.465 220 c HA 0.279 5.009 4.570 0.062 -0.123 0.193 220 c C -1.559 172.562 174.090 0.051 0.000 1.515 220 c CA -0.725 55.638 56.329 0.056 0.000 1.340 220 c CB -1.303 41.233 42.510 0.044 0.000 1.928 220 c HN 0.333 8.595 8.230 0.054 0.000 0.510 221 Q N -2.016 117.816 119.800 0.053 0.000 2.889 221 Q HA 0.133 4.493 4.340 0.033 0.000 0.262 221 Q C -1.562 174.458 176.000 0.033 0.000 0.966 221 Q CA -0.738 55.088 55.803 0.040 0.000 0.858 221 Q CB 2.293 31.055 28.738 0.041 0.000 1.845 221 Q HN 0.065 8.372 8.270 0.062 0.000 0.464 222 K N 3.600 124.013 120.400 0.022 0.000 2.448 222 K HA -0.250 4.221 4.320 0.028 -0.134 0.278 222 K C 0.293 176.887 176.600 -0.009 0.000 1.009 222 K CA 0.731 57.027 56.287 0.015 0.000 0.995 222 K CB -0.005 32.501 32.500 0.010 0.000 0.917 222 K HN 0.246 8.508 8.250 0.020 0.000 0.481 223 N N 2.275 120.964 118.700 -0.018 0.000 2.713 223 N HA -0.474 4.232 4.740 -0.057 0.000 0.251 223 N C -1.609 173.815 175.510 -0.143 0.000 1.117 223 N CA 1.846 54.855 53.050 -0.068 0.000 0.770 223 N CB -0.413 38.031 38.487 -0.072 0.000 1.137 223 N HN 0.789 9.045 8.380 0.004 0.126 0.566 224 K N -2.390 117.954 120.400 -0.093 0.000 2.762 224 K HA 0.543 4.613 4.320 -0.416 0.000 0.180 224 K C -2.269 174.360 176.600 0.049 0.000 1.067 224 K CA -3.511 52.706 56.287 -0.116 0.000 0.973 224 K CB -0.258 32.245 32.500 0.005 0.000 1.290 224 K HN -0.760 7.416 8.250 -0.027 0.058 0.604 225 P HA -0.086 4.391 4.420 0.095 0.000 0.272 225 P C -0.551 176.798 177.300 0.082 0.000 1.254 225 P CA -0.268 62.892 63.100 0.099 0.000 0.795 225 P CB 1.061 32.809 31.700 0.080 0.000 1.022 226 G N -2.692 106.119 108.800 0.019 0.000 2.476 226 G HA2 0.404 4.144 3.960 -0.367 0.000 0.286 226 G HA3 0.404 4.201 3.960 -0.271 0.000 0.286 226 G C -1.882 172.663 174.900 -0.593 0.000 1.177 226 G CA -0.901 44.018 45.100 -0.303 0.000 0.870 226 G HN -0.409 7.959 8.290 0.130 0.000 0.528 227 V N 1.258 120.481 119.914 -1.151 0.000 2.555 227 V HA 0.723 4.618 4.120 -0.690 -0.188 0.302 227 V C -0.957 174.353 176.094 -1.306 0.000 1.038 227 V CA -1.170 60.447 62.300 -1.139 0.000 0.887 227 V CB 2.488 33.265 31.823 -1.743 0.000 0.991 227 V HN 0.307 7.769 8.190 -1.214 0.000 0.434 228 Y N 4.918 124.815 120.300 -0.671 0.000 2.524 228 Y HA 0.607 5.077 4.550 -0.381 -0.149 0.344 228 Y C 0.310 175.904 175.900 -0.510 0.000 1.012 228 Y CA -2.311 55.392 58.100 -0.662 0.000 1.068 228 Y CB 3.665 41.452 38.460 -1.121 0.000 1.249 228 Y HN 1.021 8.906 8.280 -0.658 0.000 0.468 229 T N 4.633 119.137 114.554 -0.083 0.000 2.851 229 T HA 0.041 4.603 4.350 0.091 -0.158 0.298 229 T C -0.648 174.170 174.700 0.197 0.000 0.977 229 T CA 1.359 63.500 62.100 0.068 0.000 1.126 229 T CB 0.518 69.418 68.868 0.053 0.000 0.916 229 T HN 0.305 8.534 8.240 -0.019 0.000 0.529 230 K N 8.340 128.946 120.400 0.343 0.000 2.127 230 K HA 0.084 4.832 4.320 0.714 0.000 0.261 230 K C 0.978 177.835 176.600 0.427 0.000 1.129 230 K CA -0.429 56.146 56.287 0.481 0.000 0.993 230 K CB -0.425 32.307 32.500 0.386 0.000 1.410 230 K HN 0.250 8.579 8.250 0.313 0.108 0.380 231 V N 5.998 126.146 119.914 0.390 0.000 2.469 231 V HA -0.527 3.890 4.120 0.495 0.000 0.251 231 V C 1.422 177.681 176.094 0.275 0.000 1.064 231 V CA 3.866 66.381 62.300 0.358 0.000 1.066 231 V CB -0.369 31.593 31.823 0.231 0.000 0.667 231 V HN 0.281 8.714 8.190 0.405 0.000 0.461 232 c N -3.544 115.158 118.600 0.169 0.000 2.409 232 c HA -0.220 4.399 4.570 0.081 0.000 0.284 232 c C 1.568 175.682 174.090 0.041 0.000 1.354 232 c CA 1.607 57.986 56.329 0.083 0.000 1.787 232 c CB -2.161 40.368 42.510 0.032 0.000 1.900 232 c HN 0.477 8.791 8.230 0.171 0.019 0.520 233 N N 0.836 119.530 118.700 -0.009 0.000 2.467 233 N HA -0.060 4.588 4.740 -0.152 0.000 0.184 233 N C 0.195 175.478 175.510 -0.379 0.000 1.106 233 N CA 0.967 53.870 53.050 -0.244 0.000 0.892 233 N CB -0.058 38.157 38.487 -0.454 0.000 0.969 233 N HN -0.274 8.106 8.380 0.077 0.046 0.454 234 Y N -4.294 116.074 120.300 0.113 0.000 2.612 234 Y HA 0.179 4.861 4.550 0.219 0.000 0.250 234 Y C -0.084 175.948 175.900 0.221 0.000 1.175 234 Y CA -0.716 57.505 58.100 0.202 0.000 1.205 234 Y CB -0.164 38.437 38.460 0.235 0.000 1.201 234 Y HN -0.115 8.109 8.280 0.217 0.186 0.532 235 V N 0.978 121.028 119.914 0.227 0.000 2.343 235 V HA -0.556 3.655 4.120 0.151 0.000 0.247 235 V C 1.300 177.465 176.094 0.118 0.000 1.051 235 V CA 4.897 67.285 62.300 0.147 0.000 1.036 235 V CB -0.557 31.315 31.823 0.081 0.000 0.654 235 V HN -0.757 7.530 8.190 0.161 0.000 0.451 236 S N -0.115 115.657 115.700 0.120 0.000 2.383 236 S HA -0.320 4.174 4.470 0.039 0.000 0.227 236 S C 1.665 176.343 174.600 0.130 0.000 1.026 236 S CA 3.437 61.690 58.200 0.089 0.000 0.981 236 S CB -0.449 62.800 63.200 0.082 0.000 0.818 236 S HN 0.122 8.502 8.310 0.116 0.000 0.472 237 W N 3.962 125.302 121.300 0.067 0.000 2.354 237 W HA -0.166 4.525 4.660 0.052 0.000 0.315 237 W C 1.748 178.286 176.519 0.032 0.000 1.206 237 W CA 2.938 60.335 57.345 0.087 0.000 1.290 237 W CB 0.006 29.602 29.460 0.226 0.000 1.152 237 W HN -0.455 7.949 8.180 0.388 0.009 0.489 238 I N -0.526 120.045 120.570 0.002 0.000 2.127 238 I HA -0.780 2.987 4.170 -0.673 0.000 0.241 238 I C 1.806 177.692 176.117 -0.385 0.000 1.075 238 I CA 4.585 65.698 61.300 -0.311 0.000 1.334 238 I CB -0.259 37.712 38.000 -0.047 0.000 1.040 238 I HN 0.364 8.777 8.210 0.339 0.000 0.405 239 K N -1.270 119.002 120.400 -0.213 0.000 2.063 239 K HA -0.425 3.741 4.320 -0.256 0.000 0.208 239 K C 2.830 179.282 176.600 -0.247 0.000 1.048 239 K CA 3.738 59.897 56.287 -0.214 0.000 0.928 239 K CB -0.387 32.048 32.500 -0.108 0.000 0.713 239 K HN -0.104 8.087 8.250 -0.099 0.000 0.442 240 Q N -1.872 117.794 119.800 -0.223 0.000 2.079 240 Q HA -0.273 3.979 4.340 -0.148 0.000 0.200 240 Q C 2.627 178.447 176.000 -0.300 0.000 0.974 240 Q CA 3.401 59.085 55.803 -0.198 0.000 0.840 240 Q CB 0.071 28.740 28.738 -0.115 0.000 0.898 240 Q HN 0.121 8.282 8.270 -0.181 0.000 0.430 241 T N 2.786 117.034 114.554 -0.510 0.000 2.737 241 T HA -0.265 3.852 4.350 -0.389 0.000 0.265 241 T C 2.266 176.646 174.700 -0.533 0.000 1.038 241 T CA 4.961 66.718 62.100 -0.573 0.000 1.144 241 T CB -0.156 68.100 68.868 -1.020 0.000 0.866 241 T HN 0.020 7.885 8.240 -0.624 0.000 0.434 242 I N 0.933 121.082 120.570 -0.702 0.000 2.226 242 I HA -0.451 2.982 4.170 -1.228 0.000 0.245 242 I C 1.809 177.712 176.117 -0.358 0.000 1.100 242 I CA 3.782 64.572 61.300 -0.850 0.000 1.374 242 I CB -0.384 37.037 38.000 -0.965 0.000 1.057 242 I HN 0.049 7.843 8.210 -0.694 0.000 0.413 243 A N -0.645 122.016 122.820 -0.265 0.000 2.019 243 A HA -0.213 4.052 4.320 -0.091 0.000 0.219 243 A C 1.330 178.869 177.584 -0.074 0.000 1.164 243 A CA 2.760 54.721 52.037 -0.128 0.000 0.644 243 A CB -0.480 18.454 19.000 -0.111 0.000 0.805 243 A HN 0.057 8.021 8.150 -0.311 0.000 0.449 244 S N -4.775 110.871 115.700 -0.091 0.000 2.557 244 S HA 0.097 4.557 4.470 -0.017 0.000 0.223 244 S C -0.864 173.745 174.600 0.015 0.000 0.969 244 S CA 0.813 58.992 58.200 -0.035 0.000 0.927 244 S CB 0.969 64.140 63.200 -0.048 0.000 0.806 244 S HN -0.411 7.681 8.310 -0.155 0.126 0.489 245 N N 0.000 118.738 118.700 0.064 0.000 1.763 245 N HA 0.000 4.816 4.740 0.127 0.000 0.220 245 N CA 0.000 53.163 53.050 0.189 0.000 0.885 245 N CB 0.000 38.677 38.487 0.316 0.000 1.341 245 N HN 0.000 8.232 8.380 0.025 0.163 0.667