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 1o2v_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 4.194 4.170 0.040 0.000 0.288 16 I C 0.000 176.119 176.117 0.003 0.000 1.063 16 I CA 0.000 61.306 61.300 0.011 0.000 1.566 16 I CB 0.000 37.970 38.000 -0.050 0.000 1.214 17 V N 5.213 125.139 119.914 0.019 0.000 2.459 17 V HA 0.270 4.522 4.120 -0.003 -0.134 0.295 17 V C 0.517 176.618 176.094 0.011 0.000 1.029 17 V CA -1.669 60.637 62.300 0.011 0.000 0.874 17 V CB 1.428 33.263 31.823 0.021 0.000 0.985 17 V HN 0.906 9.120 8.190 0.040 0.000 0.438 18 G N 7.005 115.804 108.800 -0.001 0.000 2.176 18 G HA2 -0.398 3.557 3.960 -0.009 0.000 0.252 18 G HA3 -0.398 3.714 3.960 -0.026 -0.168 0.252 18 G C -0.748 174.162 174.900 0.017 0.000 1.024 18 G CA 0.536 45.631 45.100 -0.007 0.000 0.755 18 G HN 0.780 9.067 8.290 -0.004 0.000 0.507 19 G N -1.199 107.612 108.800 0.018 0.000 2.702 19 G HA2 0.531 4.537 3.960 0.107 0.000 0.254 19 G HA3 0.531 4.544 3.960 -0.075 -0.098 0.254 19 G C -1.737 173.218 174.900 0.092 0.000 1.380 19 G CA -1.086 44.030 45.100 0.027 0.000 1.042 19 G HN -0.671 7.591 8.290 -0.002 0.027 0.557 20 Y N -6.222 114.060 120.300 -0.030 0.000 2.638 20 Y HA 0.386 4.919 4.550 -0.028 0.000 0.339 20 Y C -1.876 173.998 175.900 -0.043 0.000 1.084 20 Y CA -2.807 55.274 58.100 -0.031 0.000 1.068 20 Y CB 1.124 39.568 38.460 -0.026 0.000 1.294 20 Y HN 0.450 8.323 8.280 -0.495 0.109 0.480 21 T N 2.543 117.151 114.554 0.089 0.000 2.799 21 T HA 0.081 4.495 4.350 -0.100 -0.124 0.296 21 T C 0.250 174.968 174.700 0.030 0.000 0.947 21 T CA 1.049 63.147 62.100 -0.003 0.000 1.141 21 T CB -0.212 68.682 68.868 0.043 0.000 0.891 21 T HN 0.019 8.368 8.240 0.182 0.000 0.533 22 c N 6.480 124.998 118.600 -0.135 0.000 2.413 22 c HA -0.131 4.419 4.570 -0.034 0.000 0.276 22 c C 0.219 174.326 174.090 0.028 0.000 1.248 22 c CA 0.980 57.261 56.329 -0.081 0.000 1.742 22 c CB 0.168 42.563 42.510 -0.192 0.000 2.017 22 c HN 0.082 8.180 8.230 -0.221 0.000 0.481 23 G N -2.286 106.514 108.800 0.000 0.000 2.742 23 G HA2 -0.174 3.801 3.960 0.025 0.000 0.686 23 G HA3 -0.174 3.804 3.960 0.031 0.000 0.686 23 G C -1.943 172.956 174.900 -0.001 0.000 1.220 23 G CA -0.827 44.284 45.100 0.018 0.000 0.783 23 G HN -0.387 7.884 8.290 -0.031 0.000 0.646 24 A N 3.836 126.664 122.820 0.012 0.000 2.567 24 A HA -0.219 4.335 4.320 0.023 -0.221 0.240 24 A C -0.143 177.445 177.584 0.006 0.000 1.053 24 A CA 1.077 53.124 52.037 0.018 0.000 0.755 24 A CB 0.152 19.170 19.000 0.029 0.000 0.978 24 A HN 0.316 8.478 8.150 0.020 0.000 0.507 25 N N -2.949 115.752 118.700 0.002 0.000 2.678 25 N HA -0.374 4.356 4.740 -0.018 0.000 0.249 25 N C 0.408 175.899 175.510 -0.032 0.000 1.119 25 N CA 1.683 54.726 53.050 -0.012 0.000 0.718 25 N CB -1.004 37.487 38.487 0.008 0.000 1.060 25 N HN 0.536 8.926 8.380 0.016 0.000 0.552 26 T N -3.822 110.704 114.554 -0.047 0.000 3.129 26 T HA 0.026 4.367 4.350 -0.014 0.000 0.251 26 T C -0.069 174.578 174.700 -0.089 0.000 1.117 26 T CA 1.902 63.980 62.100 -0.037 0.000 1.034 26 T CB 0.465 69.327 68.868 -0.011 0.000 0.968 26 T HN -0.527 7.646 8.240 -0.051 0.036 0.526 27 V N 2.325 122.125 119.914 -0.191 0.000 2.320 27 V HA 0.367 4.228 4.120 -0.432 0.000 0.257 27 V C -1.552 174.220 176.094 -0.535 0.000 0.996 27 V CA -3.336 58.694 62.300 -0.450 0.000 0.928 27 V CB 0.657 32.203 31.823 -0.460 0.000 1.169 27 V HN -0.532 7.490 8.190 -0.162 0.071 0.475 28 P HA 0.065 4.520 4.420 -0.095 -0.092 0.230 28 P C 0.000 177.249 177.300 -0.085 0.000 1.158 28 P CA 1.539 64.561 63.100 -0.129 0.000 0.769 28 P CB 0.096 31.798 31.700 0.004 0.000 0.807 29 Y N -6.045 114.280 120.300 0.042 0.000 2.462 29 Y HA 0.501 5.227 4.550 0.057 -0.142 0.261 29 Y C -0.482 175.455 175.900 0.062 0.000 1.146 29 Y CA -3.216 54.914 58.100 0.052 0.000 1.283 29 Y CB -1.126 37.361 38.460 0.044 0.000 1.090 29 Y HN -0.404 7.223 8.280 -0.989 0.060 0.526 30 Q N 2.924 122.586 119.800 -0.230 0.000 2.313 30 Q HA 0.145 4.668 4.340 0.080 -0.136 0.266 30 Q C -0.298 175.777 176.000 0.124 0.000 0.989 30 Q CA 0.239 56.017 55.803 -0.042 0.000 0.890 30 Q CB 0.892 29.500 28.738 -0.216 0.000 1.200 30 Q HN -0.656 7.222 8.270 -0.554 0.059 0.396 31 V N 1.155 121.180 119.914 0.185 0.000 3.074 31 V HA 0.818 5.161 4.120 0.183 -0.113 0.314 31 V C -1.921 174.311 176.094 0.230 0.000 1.117 31 V CA -2.976 59.429 62.300 0.175 0.000 1.014 31 V CB 3.908 35.786 31.823 0.092 0.000 1.057 31 V HN 0.249 8.546 8.190 0.178 0.000 0.438 32 S N 0.228 115.971 115.700 0.071 0.000 2.473 32 S HA 0.424 5.105 4.470 0.172 -0.107 0.307 32 S C -1.039 173.431 174.600 -0.217 0.000 1.094 32 S CA -1.911 56.268 58.200 -0.035 0.000 1.070 32 S CB 1.745 64.720 63.200 -0.376 0.000 1.019 32 S HN 0.141 8.456 8.310 0.008 0.000 0.480 33 L N 7.223 128.184 121.223 -0.437 0.000 2.275 33 L HA 0.491 4.714 4.340 -0.397 -0.121 0.288 33 L C -1.522 174.868 176.870 -0.801 0.000 1.046 33 L CA -0.762 53.674 54.840 -0.674 0.000 0.805 33 L CB 0.622 42.042 42.059 -1.065 0.000 1.193 33 L HN 0.902 8.843 8.230 -0.482 0.000 0.426 38 G N -0.107 108.568 108.800 -0.208 0.000 2.179 38 G HA2 -0.281 3.658 3.960 -0.035 0.000 0.220 38 G HA3 -0.281 3.726 3.960 0.078 0.000 0.220 38 G C -1.592 173.378 174.900 0.117 0.000 0.990 38 G CA 0.295 45.387 45.100 -0.012 0.000 0.646 38 G HN 0.210 8.714 8.290 -0.227 -0.351 0.517 39 Y N -7.754 112.518 120.300 -0.047 0.000 2.765 39 Y HA 0.175 4.683 4.550 -0.069 0.000 0.350 39 Y C -2.514 173.379 175.900 -0.012 0.000 1.196 39 Y CA -3.409 54.664 58.100 -0.045 0.000 1.119 39 Y CB 0.731 39.163 38.460 -0.048 0.000 1.368 39 Y HN -1.258 6.781 8.280 -0.446 -0.027 0.463 40 H N 2.469 121.494 119.070 -0.075 0.000 2.767 40 H HA -0.026 4.497 4.556 -0.329 -0.164 0.316 40 H C -0.691 174.630 175.328 -0.012 0.000 1.059 40 H CA 0.432 56.364 56.048 -0.193 0.000 1.461 40 H CB 0.242 29.862 29.762 -0.236 0.000 1.475 40 H HN 0.231 8.607 8.280 0.160 0.000 0.531 41 F N 1.380 120.904 119.950 -0.710 0.000 2.778 41 F HA 0.357 4.791 4.527 -0.156 0.000 0.314 41 F C -1.602 173.934 175.800 -0.440 0.000 1.073 41 F CA -0.352 57.414 58.000 -0.390 0.000 1.218 41 F CB 1.750 40.603 39.000 -0.245 0.000 1.037 41 F HN 0.022 7.657 8.300 -1.108 0.000 0.594 42 c N -1.821 116.070 118.600 -1.181 0.000 3.321 42 c HA 0.308 4.726 4.570 -0.254 0.000 0.329 42 c C -1.722 172.129 174.090 -0.398 0.000 1.394 42 c CA -0.179 55.800 56.329 -0.585 0.000 1.291 42 c CB 4.094 46.339 42.510 -0.442 0.000 1.606 42 c HN -0.813 6.406 8.230 -1.685 0.000 0.463 43 G N -1.021 107.750 108.800 -0.049 0.000 2.601 43 G HA2 0.819 5.061 3.960 0.218 0.000 0.317 43 G HA3 0.819 4.902 3.960 0.203 0.000 0.317 43 G C -2.527 172.388 174.900 0.025 0.000 1.246 43 G CA -1.656 43.517 45.100 0.122 0.000 1.012 43 G HN 0.732 9.002 8.290 -0.034 0.000 0.494 44 G N -3.902 104.950 108.800 0.086 0.000 2.550 44 G HA2 0.572 4.874 3.960 0.066 0.000 0.293 44 G HA3 0.572 4.560 3.960 0.046 0.000 0.293 44 G C -2.896 172.084 174.900 0.134 0.000 1.402 44 G CA 0.303 45.449 45.100 0.076 0.000 0.784 44 G HN -0.578 7.798 8.290 0.143 0.000 0.482 45 S N -0.746 115.040 115.700 0.142 0.000 2.538 45 S HA 0.855 5.701 4.470 0.257 -0.222 0.288 45 S C -1.424 173.279 174.600 0.171 0.000 1.108 45 S CA -0.910 57.409 58.200 0.199 0.000 0.971 45 S CB 4.037 67.346 63.200 0.181 0.000 1.041 45 S HN 0.446 8.828 8.310 0.119 0.000 0.483 46 L N 5.787 127.127 121.223 0.196 0.000 2.313 46 L HA 0.200 4.748 4.340 0.150 -0.118 0.282 46 L C -0.706 176.251 176.870 0.145 0.000 1.092 46 L CA -0.201 54.737 54.840 0.163 0.000 0.831 46 L CB 1.093 43.248 42.059 0.160 0.000 1.159 46 L HN 0.474 8.750 8.230 0.258 0.109 0.442 47 I N 0.436 121.086 120.570 0.134 0.000 4.070 47 I HA 0.535 4.900 4.170 0.067 -0.154 0.328 47 I C -1.009 175.164 176.117 0.093 0.000 1.298 47 I CA -0.671 60.685 61.300 0.093 0.000 1.173 47 I CB 0.918 38.961 38.000 0.073 0.000 1.051 47 I HN 0.434 8.742 8.210 0.162 0.000 0.409 48 N N -1.923 116.855 118.700 0.130 0.000 3.179 48 N HA 0.142 4.937 4.740 0.092 0.000 0.250 48 N C -0.412 175.179 175.510 0.134 0.000 1.507 48 N CA -0.403 52.720 53.050 0.123 0.000 0.883 48 N CB 0.698 39.266 38.487 0.134 0.000 1.435 48 N HN -0.885 7.590 8.380 0.158 0.000 0.532 49 S N -3.564 112.201 115.700 0.110 0.000 2.547 49 S HA -0.321 4.194 4.470 0.076 0.000 0.235 49 S C 0.799 175.438 174.600 0.066 0.000 0.980 49 S CA 2.700 60.950 58.200 0.082 0.000 0.941 49 S CB -0.173 63.062 63.200 0.060 0.000 0.763 49 S HN 0.388 8.758 8.310 0.100 0.000 0.532 50 Q N -0.419 119.441 119.800 0.100 0.000 2.164 50 Q HA 0.338 4.633 4.340 -0.075 0.000 0.226 50 Q C -2.153 173.754 176.000 -0.155 0.000 0.813 50 Q CA -0.276 55.500 55.803 -0.045 0.000 0.978 50 Q CB 2.792 31.480 28.738 -0.084 0.000 1.149 50 Q HN 0.191 8.888 8.270 0.191 -0.312 0.489 51 W N -2.362 118.945 121.300 0.012 0.000 2.936 51 W HA 0.752 5.621 4.660 0.010 -0.203 0.338 51 W C -1.504 175.030 176.519 0.025 0.000 1.121 51 W CA -1.148 56.203 57.345 0.011 0.000 1.209 51 W CB 3.855 33.313 29.460 -0.004 0.000 1.420 51 W HN -0.336 8.155 8.180 0.291 -0.136 0.516 52 V N 1.007 121.089 119.914 0.281 0.000 2.735 52 V HA 0.846 5.264 4.120 0.175 -0.193 0.310 52 V C -1.403 174.809 176.094 0.197 0.000 1.061 52 V CA -1.681 60.731 62.300 0.186 0.000 0.913 52 V CB 3.645 35.533 31.823 0.107 0.000 1.005 52 V HN 0.770 9.141 8.190 0.302 0.000 0.428 53 V N 6.034 126.039 119.914 0.152 0.000 2.513 53 V HA 0.771 5.158 4.120 0.160 -0.172 0.299 53 V C -1.247 174.904 176.094 0.095 0.000 1.035 53 V CA -1.277 61.105 62.300 0.135 0.000 0.889 53 V CB 1.905 33.800 31.823 0.121 0.000 0.988 53 V HN 0.730 9.004 8.190 0.140 0.000 0.440 54 S N 4.299 120.041 115.700 0.070 0.000 2.973 54 S HA 0.547 5.250 4.470 0.026 -0.217 0.317 54 S C -2.066 172.522 174.600 -0.021 0.000 1.196 54 S CA -2.477 55.734 58.200 0.018 0.000 0.894 54 S CB 2.414 65.611 63.200 -0.006 0.000 1.292 54 S HN 0.742 9.105 8.310 0.088 0.000 0.614 55 A N -0.533 122.232 122.820 -0.091 0.000 2.312 55 A HA 0.448 4.851 4.320 -0.119 -0.155 0.326 55 A C 0.628 178.082 177.584 -0.216 0.000 1.172 55 A CA -1.614 50.326 52.037 -0.162 0.000 0.821 55 A CB 1.629 20.478 19.000 -0.251 0.000 1.166 55 A HN 0.241 8.326 8.150 -0.108 0.000 0.493 56 A N 5.256 127.890 122.820 -0.310 0.000 1.940 56 A HA -0.283 3.874 4.320 -0.272 0.000 0.219 56 A C 1.434 178.774 177.584 -0.407 0.000 1.176 56 A CA 2.994 54.722 52.037 -0.515 0.000 0.631 56 A CB -0.448 17.811 19.000 -1.234 0.000 0.814 56 A HN 0.592 8.570 8.150 -0.293 -0.004 0.446 57 H N -5.113 113.774 119.070 -0.305 0.000 2.563 57 H HA -0.073 4.515 4.556 0.054 0.000 0.272 57 H C 0.025 175.400 175.328 0.078 0.000 1.005 57 H CA 1.388 57.433 56.048 -0.005 0.000 1.171 57 H CB -1.067 28.766 29.762 0.118 0.000 1.351 57 H HN -0.031 8.453 8.280 -0.217 -0.334 0.602 58 c N -1.441 117.077 118.600 -0.136 0.000 2.799 58 c HA 0.060 4.694 4.570 0.106 0.000 0.267 58 c C 0.100 174.272 174.090 0.136 0.000 1.257 58 c CA -0.370 55.971 56.329 0.021 0.000 1.702 58 c CB -1.555 40.925 42.510 -0.051 0.000 1.934 58 c HN -0.221 7.690 8.230 -0.205 0.196 0.594 59 Y N 3.207 123.511 120.300 0.006 0.000 2.811 59 Y HA -0.304 4.270 4.550 0.040 0.000 0.334 59 Y C -1.090 174.798 175.900 -0.020 0.000 1.247 59 Y CA 2.111 60.219 58.100 0.013 0.000 1.526 59 Y CB 0.623 39.076 38.460 -0.012 0.000 1.284 59 Y HN -0.452 7.740 8.280 0.142 0.173 0.586 60 K N 5.838 125.443 120.400 -1.324 0.000 2.711 60 K HA 0.187 4.069 4.320 -0.730 0.000 0.294 60 K C -2.357 173.708 176.600 -0.893 0.000 1.037 60 K CA -0.894 54.842 56.287 -0.918 0.000 0.858 60 K CB 2.369 34.506 32.500 -0.605 0.000 1.521 60 K HN -0.180 7.171 8.250 -1.499 0.000 0.386 61 S N -0.661 114.754 115.700 -0.474 0.000 2.713 61 S HA 0.141 4.444 4.470 -0.278 0.000 0.283 61 S C 0.680 175.148 174.600 -0.220 0.000 1.161 61 S CA -0.503 57.535 58.200 -0.270 0.000 0.999 61 S CB 1.461 64.595 63.200 -0.110 0.000 1.039 61 S HN -0.174 7.925 8.310 -0.351 0.000 0.548 62 G N -0.072 108.641 108.800 -0.145 0.000 2.256 62 G HA2 -0.257 3.649 3.960 -0.090 0.000 0.272 62 G HA3 -0.257 3.627 3.960 -0.126 0.000 0.272 62 G C -1.547 173.277 174.900 -0.126 0.000 1.076 62 G CA 0.221 45.248 45.100 -0.121 0.000 0.882 62 G HN 0.305 8.527 8.290 -0.113 0.000 0.497 63 I N -1.201 119.308 120.570 -0.102 0.000 2.353 63 I HA 0.077 4.248 4.170 0.002 0.000 0.293 63 I C -1.643 174.435 176.117 -0.066 0.000 0.992 63 I CA -0.773 60.502 61.300 -0.042 0.000 1.268 63 I CB 0.864 38.862 38.000 -0.003 0.000 1.387 63 I HN -0.480 7.667 8.210 -0.105 0.000 0.478 64 Q N 7.166 126.913 119.800 -0.088 0.000 3.184 64 Q HA 0.516 4.900 4.340 -0.087 -0.096 0.236 64 Q C -1.657 174.253 176.000 -0.151 0.000 1.038 64 Q CA -1.935 53.795 55.803 -0.121 0.000 0.857 64 Q CB 4.269 32.903 28.738 -0.174 0.000 1.957 64 Q HN 0.427 8.649 8.270 -0.079 0.000 0.453 65 R N -2.467 117.966 120.500 -0.111 0.000 3.321 65 R HA 0.370 4.942 4.340 0.108 -0.168 0.285 65 R C -1.360 174.970 176.300 0.049 0.000 1.149 65 R CA 0.043 56.116 56.100 -0.045 0.000 1.191 65 R CB 2.250 32.382 30.300 -0.280 0.000 1.276 65 R HN 0.615 8.803 8.270 -0.137 0.000 0.429 70 E N -0.411 119.886 120.200 0.161 0.000 2.283 70 E HA 0.129 4.561 4.350 0.137 0.000 0.271 70 E C -1.836 174.949 176.600 0.308 0.000 1.031 70 E CA 0.253 56.766 56.400 0.190 0.000 0.868 70 E CB 1.589 31.342 29.700 0.088 0.000 1.094 70 E HN -0.616 7.819 8.360 0.180 0.032 0.401 71 D N 1.096 121.655 120.400 0.266 0.000 2.957 71 D HA 0.056 4.907 4.640 0.351 0.000 0.175 71 D C -1.081 175.423 176.300 0.340 0.000 1.502 71 D CA 1.026 55.197 54.000 0.284 0.000 1.524 71 D CB 2.486 43.367 40.800 0.135 0.000 1.300 71 D HN 0.097 8.573 8.370 0.177 0.000 0.241 72 N N 1.147 119.954 118.700 0.178 0.000 2.401 72 N HA 0.173 5.150 4.740 0.182 -0.127 0.255 72 N C 2.111 177.632 175.510 0.018 0.000 1.110 72 N CA -0.556 52.569 53.050 0.124 0.000 0.949 72 N CB 0.383 38.916 38.487 0.077 0.000 1.110 72 N HN -0.416 8.332 8.380 0.131 -0.289 0.490 73 I N 0.086 120.578 120.570 -0.129 0.000 3.334 73 I HA -0.078 4.096 4.170 -0.261 -0.161 0.282 73 I C -0.378 175.655 176.117 -0.140 0.000 1.313 73 I CA 1.283 62.407 61.300 -0.294 0.000 1.396 73 I CB -0.788 36.772 38.000 -0.734 0.000 1.054 73 I HN 0.605 8.750 8.210 -0.108 0.000 0.495 74 N N -2.248 116.417 118.700 -0.058 0.000 2.205 74 N HA 0.137 4.862 4.740 -0.026 0.000 0.201 74 N C -0.978 174.540 175.510 0.013 0.000 1.128 74 N CA 0.012 53.051 53.050 -0.017 0.000 0.867 74 N CB 2.174 40.661 38.487 -0.001 0.000 0.996 74 N HN -0.063 8.576 8.380 -0.035 -0.280 0.503 75 V N 0.376 120.304 119.914 0.022 0.000 2.638 75 V HA 0.053 4.192 4.120 0.031 0.000 0.306 75 V C -1.412 174.706 176.094 0.040 0.000 1.052 75 V CA -0.994 61.325 62.300 0.032 0.000 0.885 75 V CB 3.285 35.126 31.823 0.029 0.000 0.999 75 V HN -0.807 7.421 8.190 0.014 -0.029 0.424 76 V N 7.807 127.742 119.914 0.035 0.000 2.387 76 V HA -0.173 4.203 4.120 0.030 -0.238 0.260 76 V C 0.220 176.313 176.094 -0.001 0.000 1.054 76 V CA 0.688 62.996 62.300 0.013 0.000 0.967 76 V CB -0.337 31.471 31.823 -0.024 0.000 1.036 76 V HN 0.328 8.536 8.190 0.030 0.000 0.481 77 E N 8.092 128.295 120.200 0.006 0.000 2.452 77 E HA 0.093 4.446 4.350 0.005 0.000 0.197 77 E C -0.112 176.484 176.600 -0.007 0.000 1.022 77 E CA -0.256 56.147 56.400 0.006 0.000 0.890 77 E CB 0.612 30.326 29.700 0.023 0.000 0.918 77 E HN 0.337 9.102 8.360 0.015 -0.396 0.496 78 G N -0.071 108.715 108.800 -0.023 0.000 2.576 78 G HA2 -0.218 3.707 3.960 -0.059 0.000 0.686 78 G HA3 -0.218 3.727 3.960 -0.025 0.000 0.686 78 G C -1.699 173.187 174.900 -0.023 0.000 1.242 78 G CA -0.728 44.351 45.100 -0.035 0.000 0.819 78 G HN -0.456 8.184 8.290 -0.028 -0.366 0.655 79 N N -3.871 114.809 118.700 -0.033 0.000 2.976 79 N HA -0.256 4.474 4.740 -0.017 0.000 0.206 79 N C -1.026 174.475 175.510 -0.015 0.000 0.910 79 N CA 1.255 54.296 53.050 -0.015 0.000 1.030 79 N CB -0.278 38.214 38.487 0.009 0.000 1.019 79 N HN 0.155 8.506 8.380 -0.049 0.000 0.577 80 E N -0.759 119.413 120.200 -0.047 0.000 2.354 80 E HA 0.132 4.754 4.350 0.050 -0.242 0.269 80 E C -0.157 176.370 176.600 -0.121 0.000 1.036 80 E CA 0.641 57.014 56.400 -0.046 0.000 0.876 80 E CB 0.462 30.081 29.700 -0.135 0.000 1.009 80 E HN -0.188 8.033 8.360 -0.069 0.097 0.416 81 Q N 2.014 121.818 119.800 0.006 0.000 2.274 81 Q HA 0.267 4.554 4.340 -0.089 0.000 0.268 81 Q C -1.504 174.641 176.000 0.242 0.000 1.015 81 Q CA -1.183 54.629 55.803 0.015 0.000 0.775 81 Q CB 2.893 31.653 28.738 0.036 0.000 1.256 81 Q HN 0.221 8.566 8.270 0.127 0.000 0.442 82 F N 3.601 123.532 119.950 -0.033 0.000 2.388 82 F HA 0.445 5.122 4.527 -0.049 -0.179 0.358 82 F C -0.105 175.670 175.800 -0.041 0.000 1.122 82 F CA -2.984 54.991 58.000 -0.043 0.000 1.056 82 F CB 0.921 39.894 39.000 -0.045 0.000 1.155 82 F HN 0.374 8.699 8.300 0.042 0.000 0.461 83 I N 4.103 124.747 120.570 0.123 0.000 2.582 83 I HA 0.239 4.437 4.170 0.047 0.000 0.292 83 I C -1.281 174.833 176.117 -0.005 0.000 1.066 83 I CA -1.400 59.926 61.300 0.043 0.000 1.053 83 I CB 4.105 42.116 38.000 0.018 0.000 1.241 83 I HN 0.849 9.116 8.210 0.096 0.000 0.421 84 S N 5.698 121.387 115.700 -0.017 0.000 2.585 84 S HA 0.042 4.594 4.470 -0.049 -0.111 0.273 84 S C -0.394 174.170 174.600 -0.060 0.000 1.339 84 S CA 0.854 59.029 58.200 -0.041 0.000 1.028 84 S CB 0.922 64.100 63.200 -0.037 0.000 0.906 84 S HN 0.430 8.736 8.310 -0.007 0.000 0.528 85 A N 3.102 125.883 122.820 -0.066 0.000 2.363 85 A HA 0.176 4.539 4.320 -0.101 -0.103 0.270 85 A C -0.494 177.040 177.584 -0.084 0.000 1.121 85 A CA -0.358 51.631 52.037 -0.081 0.000 0.800 85 A CB 0.602 19.566 19.000 -0.061 0.000 1.052 85 A HN -0.193 7.920 8.150 -0.062 0.000 0.493 86 S N 3.631 119.259 115.700 -0.119 0.000 2.404 86 S HA 0.020 4.446 4.470 -0.074 0.000 0.223 86 S C 0.468 175.024 174.600 -0.074 0.000 1.040 86 S CA 1.319 59.459 58.200 -0.102 0.000 0.957 86 S CB 0.877 63.993 63.200 -0.139 0.000 0.826 86 S HN 0.825 8.917 8.310 -0.168 0.117 0.491 87 K N -0.115 120.231 120.400 -0.091 0.000 2.551 87 K HA 0.282 4.617 4.320 0.025 0.000 0.269 87 K C -2.348 174.269 176.600 0.029 0.000 0.949 87 K CA -0.679 55.601 56.287 -0.012 0.000 0.849 87 K CB 3.493 35.991 32.500 -0.004 0.000 1.411 87 K HN -0.763 7.394 8.250 -0.155 0.000 0.432 88 S N 1.229 117.008 115.700 0.131 0.000 2.502 88 S HA 0.713 5.455 4.470 0.172 -0.169 0.304 88 S C -0.873 173.858 174.600 0.219 0.000 1.097 88 S CA -0.424 57.900 58.200 0.207 0.000 1.045 88 S CB 2.535 65.929 63.200 0.325 0.000 1.019 88 S HN 0.173 8.577 8.310 0.156 0.000 0.481 89 I N 7.406 128.116 120.570 0.234 0.000 2.437 89 I HA 0.126 4.393 4.170 0.161 0.000 0.279 89 I C -1.595 174.677 176.117 0.258 0.000 1.028 89 I CA -0.802 60.632 61.300 0.225 0.000 1.142 89 I CB 1.655 39.803 38.000 0.247 0.000 1.266 89 I HN 1.125 9.381 8.210 0.259 0.110 0.461 90 V N 7.829 127.828 119.914 0.142 0.000 2.649 90 V HA -0.132 4.035 4.120 0.079 0.000 0.292 90 V C -0.197 175.969 176.094 0.120 0.000 1.055 90 V CA -0.564 61.780 62.300 0.074 0.000 1.023 90 V CB 0.894 32.675 31.823 -0.070 0.000 0.992 90 V HN 0.377 8.609 8.190 0.069 0.000 0.480 91 H N 8.824 127.855 119.070 -0.065 0.000 3.094 91 H HA -0.067 4.239 4.556 -0.416 0.000 0.320 91 H C -0.294 174.995 175.328 -0.065 0.000 1.000 91 H CA 0.353 56.219 56.048 -0.302 0.000 1.413 91 H CB 1.473 30.899 29.762 -0.560 0.000 1.405 91 H HN -0.168 8.127 8.280 0.025 0.000 0.586 92 P HA -0.113 4.316 4.420 0.015 0.000 0.219 92 P C -0.428 176.923 177.300 0.085 0.000 1.146 92 P CA 1.537 64.612 63.100 -0.040 0.000 0.808 92 P CB 0.310 31.966 31.700 -0.073 0.000 0.779 93 S N -3.851 112.003 115.700 0.258 0.000 2.614 93 S HA 0.022 4.553 4.470 0.103 0.000 0.230 93 S C -0.510 174.190 174.600 0.168 0.000 0.952 93 S CA 0.071 58.396 58.200 0.209 0.000 0.949 93 S CB 0.421 63.748 63.200 0.212 0.000 0.786 93 S HN -0.433 8.108 8.310 0.452 0.039 0.478 94 Y N 3.571 123.917 120.300 0.076 0.000 2.610 94 Y HA -0.319 4.384 4.550 -0.047 -0.181 0.332 94 Y C -0.862 175.028 175.900 -0.015 0.000 1.201 94 Y CA 0.785 58.883 58.100 -0.003 0.000 1.465 94 Y CB 0.833 39.296 38.460 0.004 0.000 1.283 94 Y HN -0.644 7.659 8.280 0.333 0.176 0.563 95 N N 7.254 125.586 118.700 -0.614 0.000 2.518 95 N HA 0.213 4.669 4.740 -0.474 0.000 0.254 95 N C -0.329 174.657 175.510 -0.873 0.000 0.979 95 N CA -1.161 51.548 53.050 -0.569 0.000 0.930 95 N CB 1.653 39.973 38.487 -0.279 0.000 1.152 95 N HN -0.230 7.908 8.380 -0.403 0.000 0.505 96 S N 6.153 121.325 115.700 -0.881 0.000 2.515 96 S HA -0.096 3.983 4.470 -0.651 0.000 0.231 96 S C 0.686 175.101 174.600 -0.309 0.000 0.987 96 S CA 2.011 59.866 58.200 -0.575 0.000 0.936 96 S CB -0.172 62.873 63.200 -0.259 0.000 0.766 96 S HN 0.622 8.511 8.310 -0.701 0.000 0.528 97 N N 2.010 120.534 118.700 -0.293 0.000 2.336 97 N HA 0.037 4.653 4.740 -0.206 0.000 0.177 97 N C 1.105 176.454 175.510 -0.268 0.000 1.018 97 N CA 2.339 55.252 53.050 -0.229 0.000 0.878 97 N CB 0.757 39.138 38.487 -0.176 0.000 0.997 97 N HN 0.314 8.728 8.380 -0.324 -0.228 0.433 98 T N -4.024 110.370 114.554 -0.268 0.000 3.022 98 T HA 0.078 4.229 4.350 -0.332 0.000 0.250 98 T C 0.199 174.714 174.700 -0.309 0.000 1.060 98 T CA 0.326 62.259 62.100 -0.279 0.000 1.013 98 T CB 1.526 70.287 68.868 -0.178 0.000 0.982 98 T HN -0.212 8.192 8.240 -0.264 -0.322 0.508 99 L N -3.323 117.751 121.223 -0.250 0.000 4.040 99 L HA -0.517 3.950 4.340 0.084 -0.077 0.410 99 L C -1.767 175.142 176.870 0.064 0.000 1.187 99 L CA 0.453 55.258 54.840 -0.058 0.000 0.956 99 L CB -2.676 39.282 42.059 -0.169 0.000 2.022 99 L HN -0.122 7.884 8.230 -0.289 0.051 0.897 100 N N -1.064 117.629 118.700 -0.012 0.000 2.518 100 N HA -0.161 4.630 4.740 0.085 0.000 0.266 100 N C 0.069 175.629 175.510 0.083 0.000 1.196 100 N CA 0.612 53.685 53.050 0.040 0.000 0.947 100 N CB 1.178 39.659 38.487 -0.010 0.000 1.098 100 N HN -0.731 7.542 8.380 -0.108 0.041 0.450 101 N N -0.998 117.742 118.700 0.067 0.000 2.756 101 N HA -0.466 4.192 4.740 -0.137 0.000 0.248 101 N C -1.448 174.040 175.510 -0.037 0.000 1.062 101 N CA 1.400 54.390 53.050 -0.100 0.000 0.696 101 N CB -1.552 36.753 38.487 -0.303 0.000 0.946 101 N HN 0.602 9.046 8.380 0.107 0.000 0.548 102 D N -1.110 119.306 120.400 0.028 0.000 2.551 102 D HA 0.062 4.659 4.640 -0.072 0.000 0.223 102 D C -1.669 174.529 176.300 -0.170 0.000 1.144 102 D CA -0.451 53.549 54.000 0.000 0.000 1.025 102 D CB -0.689 40.214 40.800 0.172 0.000 1.085 102 D HN -0.136 8.268 8.370 0.057 0.000 0.506 103 I N 2.570 122.976 120.570 -0.274 0.000 2.827 103 I HA 0.575 4.828 4.170 -0.144 -0.170 0.298 103 I C -3.061 172.999 176.117 -0.094 0.000 1.235 103 I CA -1.391 59.776 61.300 -0.221 0.000 1.021 103 I CB 4.187 41.919 38.000 -0.447 0.000 1.259 103 I HN -0.173 7.826 8.210 -0.290 0.037 0.427 104 M N 6.138 125.760 119.600 0.037 0.000 2.470 104 M HA 0.690 5.479 4.480 0.234 -0.169 0.285 104 M C -2.803 173.630 176.300 0.221 0.000 1.213 104 M CA -1.002 54.388 55.300 0.151 0.000 0.901 104 M CB 4.861 37.505 32.600 0.074 0.000 1.718 104 M HN 0.565 8.796 8.290 0.031 0.078 0.469 105 L N 2.759 124.157 121.223 0.292 0.000 2.346 105 L HA 0.943 5.635 4.340 0.273 -0.189 0.274 105 L C -1.337 175.729 176.870 0.326 0.000 1.007 105 L CA -1.580 53.448 54.840 0.314 0.000 0.818 105 L CB 3.526 45.757 42.059 0.286 0.000 1.284 105 L HN 0.510 8.831 8.230 0.329 0.106 0.424 106 I N 0.533 121.277 120.570 0.289 0.000 2.465 106 I HA 0.609 5.011 4.170 0.090 -0.178 0.291 106 I C -1.616 174.443 176.117 -0.097 0.000 1.014 106 I CA -1.432 59.930 61.300 0.103 0.000 1.093 106 I CB 3.180 41.211 38.000 0.052 0.000 1.267 106 I HN 0.989 9.394 8.210 0.325 0.000 0.431 107 K N 6.328 126.466 120.400 -0.437 0.000 2.159 107 K HA 0.667 4.330 4.320 -1.351 -0.154 0.266 107 K C -1.132 175.179 176.600 -0.482 0.000 0.975 107 K CA -1.942 53.738 56.287 -1.013 0.000 0.865 107 K CB 3.195 34.904 32.500 -1.319 0.000 1.087 107 K HN 0.739 8.819 8.250 -0.283 0.000 0.446 108 L N 4.348 125.323 121.223 -0.414 0.000 2.375 108 L HA 0.227 4.582 4.340 -0.166 -0.114 0.271 108 L C 1.732 178.484 176.870 -0.196 0.000 1.107 108 L CA -0.111 54.600 54.840 -0.216 0.000 0.806 108 L CB 0.508 42.483 42.059 -0.139 0.000 1.146 108 L HN 0.842 8.649 8.230 -0.531 0.105 0.447 109 K N 2.689 123.013 120.400 -0.126 0.000 2.057 109 K HA -0.298 3.957 4.320 -0.109 0.000 0.207 109 K C -0.383 176.169 176.600 -0.080 0.000 1.049 109 K CA 2.708 58.938 56.287 -0.095 0.000 0.931 109 K CB 0.545 33.008 32.500 -0.062 0.000 0.714 109 K HN 0.506 8.694 8.250 -0.104 0.000 0.440 110 S N -3.703 111.957 115.700 -0.066 0.000 2.599 110 S HA 0.159 4.600 4.470 -0.047 0.000 0.287 110 S C -1.579 172.994 174.600 -0.045 0.000 1.105 110 S CA -1.080 57.092 58.200 -0.046 0.000 0.899 110 S CB 2.821 66.005 63.200 -0.027 0.000 1.100 110 S HN -0.462 7.810 8.310 -0.063 0.000 0.482 111 A N 0.499 123.301 122.820 -0.030 0.000 2.366 111 A HA 0.056 4.499 4.320 -0.025 -0.138 0.249 111 A C -0.300 177.283 177.584 -0.001 0.000 1.084 111 A CA -0.270 51.758 52.037 -0.014 0.000 0.794 111 A CB 0.466 19.468 19.000 0.004 0.000 1.034 111 A HN 0.225 8.361 8.150 -0.024 0.000 0.491 112 A N 0.183 123.010 122.820 0.012 0.000 2.302 112 A HA 0.249 4.644 4.320 0.015 -0.066 0.285 112 A C -0.673 176.925 177.584 0.022 0.000 1.105 112 A CA -1.348 50.701 52.037 0.020 0.000 0.816 112 A CB 1.565 20.586 19.000 0.035 0.000 1.067 112 A HN 0.400 8.443 8.150 0.017 0.117 0.489 113 S N 1.153 116.864 115.700 0.018 0.000 2.465 113 S HA 0.076 4.556 4.470 0.017 0.000 0.279 113 S C -0.680 173.935 174.600 0.025 0.000 1.201 113 S CA -0.246 57.964 58.200 0.017 0.000 1.053 113 S CB 0.585 63.790 63.200 0.008 0.000 0.953 113 S HN 0.072 8.729 8.310 0.016 -0.338 0.488 114 L N 5.875 127.116 121.223 0.030 0.000 2.357 114 L HA 0.202 4.677 4.340 0.042 -0.110 0.273 114 L C -0.549 176.339 176.870 0.031 0.000 1.080 114 L CA -0.389 54.473 54.840 0.037 0.000 0.803 114 L CB 0.833 42.919 42.059 0.044 0.000 1.174 114 L HN 0.222 8.469 8.230 0.028 0.000 0.443 115 N N 2.620 121.340 118.700 0.033 0.000 3.575 115 N HA 0.144 4.899 4.740 0.025 0.000 0.343 115 N C -1.370 174.159 175.510 0.032 0.000 1.574 115 N CA -0.606 52.460 53.050 0.027 0.000 0.832 115 N CB 1.026 39.525 38.487 0.020 0.000 2.151 115 N HN 0.604 8.896 8.380 0.039 0.111 0.552 116 S N -2.594 113.122 115.700 0.027 0.000 2.428 116 S HA -0.216 4.275 4.470 0.034 0.000 0.230 116 S C 0.586 175.203 174.600 0.028 0.000 1.014 116 S CA 2.525 60.742 58.200 0.028 0.000 0.957 116 S CB -0.008 63.205 63.200 0.022 0.000 0.784 116 S HN 0.059 8.382 8.310 0.022 0.000 0.499 117 R N -0.855 119.659 120.500 0.024 0.000 2.223 117 R HA 0.116 4.465 4.340 0.016 0.000 0.198 117 R C -1.068 175.248 176.300 0.027 0.000 0.984 117 R CA 0.234 56.347 56.100 0.021 0.000 1.018 117 R CB 1.012 31.324 30.300 0.019 0.000 0.945 117 R HN -0.057 8.466 8.270 0.023 -0.239 0.479 118 V N -1.696 118.240 119.914 0.037 0.000 2.409 118 V HA 0.255 4.585 4.120 0.050 -0.180 0.290 118 V C -2.163 173.969 176.094 0.064 0.000 1.017 118 V CA -1.072 61.258 62.300 0.050 0.000 0.841 118 V CB 2.510 34.361 31.823 0.047 0.000 1.003 118 V HN -0.243 8.107 8.190 0.035 -0.139 0.426 119 A N 6.647 129.521 122.820 0.091 0.000 2.556 119 A HA 0.615 4.988 4.320 0.088 0.000 0.294 119 A C -3.054 174.624 177.584 0.157 0.000 1.091 119 A CA -1.469 50.634 52.037 0.110 0.000 0.704 119 A CB 2.860 21.927 19.000 0.113 0.000 1.300 119 A HN 0.177 8.265 8.150 0.096 0.119 0.406 120 S N -1.523 114.254 115.700 0.128 0.000 2.693 120 S HA 0.568 5.279 4.470 0.167 -0.140 0.276 120 S C -0.863 173.793 174.600 0.093 0.000 1.192 120 S CA -0.880 57.397 58.200 0.128 0.000 0.994 120 S CB 1.710 64.964 63.200 0.090 0.000 1.012 120 S HN -0.032 8.337 8.310 0.099 0.000 0.550 121 I N 0.440 121.020 120.570 0.017 0.000 2.693 121 I HA 0.254 4.350 4.170 -0.124 0.000 0.303 121 I C -1.373 174.694 176.117 -0.083 0.000 1.025 121 I CA -1.639 59.572 61.300 -0.148 0.000 1.086 121 I CB 4.068 41.757 38.000 -0.519 0.000 1.268 121 I HN 0.326 8.562 8.210 0.044 0.000 0.440 122 S N 6.153 121.800 115.700 -0.087 0.000 2.584 122 S HA 0.205 4.658 4.470 -0.028 0.000 0.273 122 S C -0.643 173.929 174.600 -0.047 0.000 1.311 122 S CA -0.086 58.084 58.200 -0.049 0.000 1.034 122 S CB 0.755 63.931 63.200 -0.040 0.000 0.939 122 S HN 0.268 8.510 8.310 -0.112 0.000 0.513 123 L N 3.195 124.405 121.223 -0.021 0.000 2.418 123 L HA 0.164 4.506 4.340 0.002 0.000 0.265 123 L C -1.237 175.630 176.870 -0.005 0.000 1.143 123 L CA -1.978 52.861 54.840 -0.001 0.000 0.809 123 L CB 0.241 42.307 42.059 0.012 0.000 1.124 123 L HN 0.213 8.433 8.230 -0.016 0.000 0.456 124 P HA 0.123 4.533 4.420 -0.016 0.000 0.276 124 P C -1.199 176.100 177.300 -0.000 0.000 1.252 124 P CA -0.720 62.377 63.100 -0.005 0.000 0.802 124 P CB 0.739 32.436 31.700 -0.005 0.000 1.035 128 c N 0.562 119.137 118.600 -0.042 0.000 2.520 128 c HA 0.091 4.624 4.570 -0.061 0.000 0.376 128 c C -0.089 173.942 174.090 -0.098 0.000 1.268 128 c CA -0.700 55.589 56.329 -0.066 0.000 2.414 128 c CB 0.621 43.096 42.510 -0.058 0.000 2.521 128 c HN -0.040 8.168 8.230 -0.037 0.000 0.618 129 A N 1.014 123.739 122.820 -0.158 0.000 2.279 129 A HA 0.104 4.349 4.320 -0.125 0.000 0.303 129 A C -0.821 176.656 177.584 -0.177 0.000 1.108 129 A CA -0.412 51.521 52.037 -0.174 0.000 0.830 129 A CB 1.237 20.096 19.000 -0.235 0.000 1.106 129 A HN 0.209 8.239 8.150 -0.200 0.000 0.493 133 G N 2.006 110.761 108.800 -0.075 0.000 2.253 133 G HA2 -0.318 3.603 3.960 -0.064 0.000 0.251 133 G HA3 -0.318 3.611 3.960 -0.052 0.000 0.251 133 G C 0.258 175.115 174.900 -0.072 0.000 0.998 133 G CA 0.016 45.077 45.100 -0.065 0.000 0.621 133 G HN 0.869 8.997 8.290 -0.079 0.115 0.524 134 T N 3.362 117.861 114.554 -0.092 0.000 2.928 134 T HA -0.182 4.127 4.350 -0.068 0.000 0.305 134 T C -1.044 173.606 174.700 -0.084 0.000 1.035 134 T CA 2.340 64.386 62.100 -0.089 0.000 1.145 134 T CB 0.743 69.539 68.868 -0.120 0.000 0.963 134 T HN -0.553 7.540 8.240 -0.107 0.083 0.545 135 Q N 5.720 125.486 119.800 -0.056 0.000 2.256 135 Q HA 0.154 4.575 4.340 -0.049 -0.110 0.254 135 Q C -0.917 175.062 176.000 -0.034 0.000 0.916 135 Q CA 0.266 56.046 55.803 -0.037 0.000 0.932 135 Q CB 1.366 30.099 28.738 -0.008 0.000 1.207 135 Q HN 0.210 8.452 8.270 -0.047 0.000 0.426 136 c N 3.390 121.971 118.600 -0.031 0.000 3.044 136 c HA 0.650 5.323 4.570 -0.018 -0.114 0.315 136 c C -1.855 172.241 174.090 0.010 0.000 1.320 136 c CA -1.662 54.652 56.329 -0.024 0.000 1.582 136 c CB 4.319 46.794 42.510 -0.058 0.000 2.039 136 c HN 0.832 8.927 8.230 -0.034 0.114 0.466 137 L N 0.915 122.153 121.223 0.025 0.000 2.325 137 L HA 0.847 5.397 4.340 0.057 -0.176 0.281 137 L C -2.182 174.709 176.870 0.035 0.000 1.004 137 L CA -1.312 53.558 54.840 0.050 0.000 0.823 137 L CB 3.187 45.297 42.059 0.085 0.000 1.236 137 L HN 0.751 8.878 8.230 0.018 0.113 0.415 138 I N 7.570 128.146 120.570 0.012 0.000 2.441 138 I HA 0.894 5.323 4.170 0.032 -0.239 0.295 138 I C -1.273 174.820 176.117 -0.040 0.000 0.994 138 I CA -1.560 59.745 61.300 0.009 0.000 1.144 138 I CB 2.421 40.431 38.000 0.017 0.000 1.314 138 I HN 0.884 9.103 8.210 0.014 0.000 0.445 139 S N 2.341 118.012 115.700 -0.048 0.000 2.618 139 S HA 0.970 5.460 4.470 -0.213 -0.148 0.277 139 S C -1.191 173.299 174.600 -0.184 0.000 1.138 139 S CA -1.738 56.358 58.200 -0.174 0.000 0.844 139 S CB 3.727 66.785 63.200 -0.237 0.000 1.127 139 S HN -0.210 8.104 8.310 0.008 0.000 0.474 140 G N -1.290 107.308 108.800 -0.336 0.000 2.321 140 G HA2 0.130 3.863 3.960 -0.379 0.000 0.298 140 G HA3 0.130 4.198 3.960 -0.052 -0.139 0.298 140 G C -2.248 172.446 174.900 -0.343 0.000 1.385 140 G CA 0.529 45.458 45.100 -0.285 0.000 0.856 140 G HN 0.400 8.432 8.290 -0.430 0.000 0.584 141 W N 1.252 122.493 121.300 -0.099 0.000 3.015 141 W HA 0.359 4.964 4.660 -0.092 0.000 0.429 141 W C -0.213 176.328 176.519 0.037 0.000 0.976 141 W CA -0.935 56.319 57.345 -0.153 0.000 2.086 141 W CB 0.007 29.165 29.460 -0.503 0.000 1.125 141 W HN 0.590 8.932 8.180 0.269 0.000 0.721 142 G N 0.750 109.718 108.800 0.280 0.000 2.616 142 G HA2 -0.034 4.245 3.960 0.508 0.000 0.268 142 G HA3 -0.034 4.260 3.960 0.283 -0.165 0.268 142 G C -0.910 174.139 174.900 0.249 0.000 1.213 142 G CA -0.807 44.502 45.100 0.348 0.000 0.926 142 G HN -0.405 8.136 8.290 0.175 -0.147 0.523 143 N N -0.811 117.998 118.700 0.181 0.000 2.294 143 N HA -0.364 4.246 4.740 -0.494 -0.167 0.248 143 N C 0.570 176.033 175.510 -0.078 0.000 1.242 143 N CA 1.145 54.088 53.050 -0.179 0.000 0.848 143 N CB 0.816 39.177 38.487 -0.210 0.000 1.084 143 N HN 0.116 8.693 8.380 0.328 0.000 0.457 144 T N -0.953 113.530 114.554 -0.118 0.000 3.054 144 T HA 0.274 4.760 4.350 -0.030 -0.154 0.255 144 T C 0.394 175.061 174.700 -0.055 0.000 1.035 144 T CA 0.228 62.294 62.100 -0.056 0.000 0.941 144 T CB 1.193 70.037 68.868 -0.039 0.000 1.026 144 T HN 0.239 8.359 8.240 -0.200 0.000 0.533 145 K N 2.594 122.944 120.400 -0.083 0.000 2.221 145 K HA 0.271 4.569 4.320 -0.037 0.000 0.258 145 K C -0.561 176.016 176.600 -0.037 0.000 0.944 145 K CA -1.141 55.111 56.287 -0.057 0.000 0.823 145 K CB 2.332 34.789 32.500 -0.071 0.000 1.113 145 K HN -0.289 8.190 8.250 -0.132 -0.308 0.431 146 S N 0.603 116.295 115.700 -0.014 0.000 2.458 146 S HA -0.073 4.404 4.470 0.012 0.000 0.223 146 S C 0.024 174.627 174.600 0.005 0.000 1.019 146 S CA 1.741 59.944 58.200 0.005 0.000 0.937 146 S CB 0.918 64.126 63.200 0.014 0.000 0.788 146 S HN 0.143 8.445 8.310 -0.014 0.000 0.511 147 S N 1.589 117.287 115.700 -0.004 0.000 2.150 147 S HA 0.189 4.663 4.470 0.006 0.000 0.171 147 S C -0.807 173.787 174.600 -0.010 0.000 1.620 147 S CA -0.224 57.975 58.200 -0.001 0.000 1.190 147 S CB -0.572 62.629 63.200 0.002 0.000 1.102 147 S HN -0.463 7.812 8.310 -0.010 0.029 0.464 148 G N 0.986 109.778 108.800 -0.014 0.000 2.371 148 G HA2 -0.180 3.776 3.960 -0.007 0.000 0.663 148 G HA3 -0.180 3.766 3.960 -0.023 0.000 0.663 148 G C -2.723 172.140 174.900 -0.062 0.000 1.311 148 G CA -0.752 44.334 45.100 -0.023 0.000 0.985 148 G HN -0.478 7.807 8.290 -0.008 0.000 0.566 149 T N -3.864 110.642 114.554 -0.079 0.000 2.779 149 T HA 0.026 4.350 4.350 -0.312 -0.162 0.280 149 T C -1.432 173.098 174.700 -0.283 0.000 0.987 149 T CA -1.108 60.858 62.100 -0.222 0.000 0.966 149 T CB 1.732 70.559 68.868 -0.068 0.000 0.933 149 T HN -0.087 8.130 8.240 -0.039 0.000 0.442 150 S N 5.531 120.964 115.700 -0.446 0.000 2.775 150 S HA 0.312 4.703 4.470 -0.131 0.000 0.277 150 S C -1.917 172.469 174.600 -0.357 0.000 1.156 150 S CA -0.730 57.321 58.200 -0.248 0.000 1.081 150 S CB 1.700 64.829 63.200 -0.119 0.000 1.054 150 S HN 0.759 9.122 8.310 -0.575 -0.398 0.482 151 Y N 7.488 127.826 120.300 0.063 0.000 2.323 151 Y HA 0.179 4.784 4.550 0.092 0.000 0.331 151 Y C -1.422 174.525 175.900 0.079 0.000 1.092 151 Y CA -2.238 55.912 58.100 0.084 0.000 1.150 151 Y CB 0.422 38.940 38.460 0.097 0.000 1.200 151 Y HN 0.110 8.445 8.280 0.092 0.000 0.472 152 P HA 0.215 4.713 4.420 0.130 0.000 0.280 152 P C -1.367 176.066 177.300 0.221 0.000 1.272 152 P CA -0.984 62.221 63.100 0.175 0.000 0.819 152 P CB 1.726 33.501 31.700 0.126 0.000 1.122 153 D N -2.560 117.947 120.400 0.178 0.000 2.323 153 D HA -0.050 4.658 4.640 0.115 0.000 0.218 153 D C -1.102 175.359 176.300 0.268 0.000 0.973 153 D CA 1.238 55.332 54.000 0.157 0.000 0.890 153 D CB 1.083 41.942 40.800 0.098 0.000 1.011 153 D HN 0.382 8.836 8.370 0.140 0.000 0.499 154 V N -7.760 112.306 119.914 0.253 0.000 2.975 154 V HA 0.659 5.209 4.120 0.439 -0.166 0.318 154 V C -0.782 175.360 176.094 0.081 0.000 1.077 154 V CA -2.871 59.589 62.300 0.267 0.000 1.000 154 V CB 2.084 33.976 31.823 0.114 0.000 1.066 154 V HN -0.936 7.358 8.190 0.172 0.000 0.452 155 L N 1.626 122.744 121.223 -0.176 0.000 2.455 155 L HA -0.023 3.455 4.340 -1.436 0.000 0.272 155 L C -0.334 176.261 176.870 -0.458 0.000 1.174 155 L CA 0.637 55.004 54.840 -0.788 0.000 0.869 155 L CB 0.610 42.173 42.059 -0.827 0.000 1.130 155 L HN -0.102 8.329 8.230 0.047 -0.173 0.474 156 K N 5.786 125.898 120.400 -0.479 0.000 2.156 156 K HA 0.701 4.985 4.320 -0.337 -0.165 0.250 156 K C -1.091 175.251 176.600 -0.430 0.000 0.955 156 K CA -2.535 53.536 56.287 -0.360 0.000 0.855 156 K CB 2.307 34.665 32.500 -0.236 0.000 1.101 156 K HN -0.196 7.693 8.250 -0.602 0.000 0.434 157 c N -0.744 117.502 118.600 -0.590 0.000 2.707 157 c HA 0.999 5.510 4.570 -0.405 -0.183 0.313 157 c C -1.781 171.935 174.090 -0.622 0.000 1.209 157 c CA -0.825 55.098 56.329 -0.677 0.000 1.635 157 c CB 3.746 45.672 42.510 -0.974 0.000 2.206 157 c HN 0.825 8.538 8.230 -0.685 0.107 0.485 158 L N 0.160 121.234 121.223 -0.247 0.000 2.526 158 L HA 0.365 4.778 4.340 0.123 0.000 0.263 158 L C -2.510 174.435 176.870 0.126 0.000 0.943 158 L CA 0.331 55.186 54.840 0.024 0.000 0.859 158 L CB 4.397 46.485 42.059 0.048 0.000 1.313 158 L HN 0.632 8.751 8.230 -0.185 0.000 0.406 159 K N 6.227 126.766 120.400 0.231 0.000 2.211 159 K HA 0.762 5.362 4.320 0.134 -0.199 0.275 159 K C -0.976 175.751 176.600 0.212 0.000 1.024 159 K CA -1.311 55.089 56.287 0.188 0.000 0.887 159 K CB 0.799 33.413 32.500 0.190 0.000 1.084 159 K HN 0.352 8.780 8.250 0.297 0.000 0.463 160 A N 4.286 127.166 122.820 0.099 0.000 2.486 160 A HA 0.640 4.954 4.320 -0.011 0.000 0.300 160 A C -3.358 174.158 177.584 -0.114 0.000 1.048 160 A CA -2.718 49.310 52.037 -0.014 0.000 0.696 160 A CB 3.208 22.201 19.000 -0.012 0.000 1.278 160 A HN 1.011 9.084 8.150 0.052 0.109 0.405 161 P HA 0.689 5.255 4.420 -0.112 -0.214 0.284 161 P C -1.102 176.116 177.300 -0.137 0.000 1.258 161 P CA -1.378 61.627 63.100 -0.159 0.000 0.824 161 P CB 1.551 33.154 31.700 -0.163 0.000 1.038 162 I N 0.629 121.132 120.570 -0.112 0.000 2.496 162 I HA -0.025 4.277 4.170 0.023 -0.118 0.285 162 I C 0.058 176.146 176.117 -0.049 0.000 1.080 162 I CA 0.397 61.651 61.300 -0.077 0.000 1.404 162 I CB 0.324 38.188 38.000 -0.226 0.000 1.403 162 I HN 0.139 8.276 8.210 -0.122 0.000 0.539 163 L N 6.764 127.997 121.223 0.015 0.000 2.431 163 L HA 0.255 4.580 4.340 -0.025 0.000 0.260 163 L C -0.445 176.437 176.870 0.019 0.000 1.098 163 L CA -1.041 53.803 54.840 0.006 0.000 0.800 163 L CB 0.718 42.793 42.059 0.026 0.000 1.210 163 L HN 0.418 8.590 8.230 0.090 0.113 0.465 164 S N -1.331 114.375 115.700 0.011 0.000 2.585 164 S HA -0.022 4.450 4.470 0.003 0.000 0.273 164 S C 0.386 175.009 174.600 0.038 0.000 1.339 164 S CA -0.612 57.596 58.200 0.013 0.000 1.028 164 S CB 1.450 64.654 63.200 0.005 0.000 0.906 164 S HN -0.005 8.307 8.310 0.003 0.000 0.528 165 D N 2.282 122.706 120.400 0.039 0.000 2.149 165 D HA -0.263 4.425 4.640 0.080 0.000 0.198 165 D C 1.495 177.826 176.300 0.052 0.000 0.990 165 D CA 3.795 57.830 54.000 0.057 0.000 0.839 165 D CB -0.382 40.447 40.800 0.048 0.000 0.948 165 D HN 0.607 8.992 8.370 0.025 0.000 0.460 166 S N -1.425 114.297 115.700 0.035 0.000 2.368 166 S HA -0.210 4.281 4.470 0.035 0.000 0.224 166 S C 2.218 176.836 174.600 0.031 0.000 1.029 166 S CA 3.263 61.481 58.200 0.031 0.000 0.988 166 S CB -0.705 62.507 63.200 0.019 0.000 0.838 166 S HN -0.027 8.290 8.310 0.027 0.009 0.462 167 S N 3.925 119.642 115.700 0.027 0.000 2.383 167 S HA -0.246 4.230 4.470 0.010 0.000 0.227 167 S C 1.865 176.485 174.600 0.033 0.000 1.026 167 S CA 4.221 62.433 58.200 0.020 0.000 0.981 167 S CB -0.129 63.079 63.200 0.014 0.000 0.818 167 S HN -0.444 7.806 8.310 0.026 0.075 0.472 168 c N 3.434 122.073 118.600 0.065 0.000 2.436 168 c HA -0.317 4.328 4.570 0.125 0.000 0.277 168 c C 1.718 175.891 174.090 0.139 0.000 1.241 168 c CA 2.786 59.185 56.329 0.116 0.000 1.721 168 c CB -1.675 40.913 42.510 0.131 0.000 2.043 168 c HN 0.131 8.388 8.230 0.062 0.010 0.472 169 K N -1.242 119.223 120.400 0.109 0.000 2.211 169 K HA -0.304 4.113 4.320 0.160 0.000 0.203 169 K C 2.411 179.056 176.600 0.076 0.000 1.050 169 K CA 2.779 59.133 56.287 0.112 0.000 0.945 169 K CB -0.333 32.217 32.500 0.085 0.000 0.732 169 K HN 0.003 8.308 8.250 0.090 0.000 0.451 170 S N -0.866 114.857 115.700 0.039 0.000 2.371 170 S HA -0.212 4.266 4.470 0.013 0.000 0.224 170 S C 1.385 175.963 174.600 -0.037 0.000 1.029 170 S CA 2.671 60.874 58.200 0.005 0.000 0.978 170 S CB 0.040 63.239 63.200 -0.002 0.000 0.833 170 S HN -0.465 7.746 8.310 0.041 0.124 0.466 171 A N -0.235 122.536 122.820 -0.083 0.000 1.929 171 A HA -0.116 4.052 4.320 -0.253 0.000 0.216 171 A C -0.134 177.179 177.584 -0.452 0.000 1.176 171 A CA 2.087 53.946 52.037 -0.296 0.000 0.628 171 A CB 0.889 19.648 19.000 -0.402 0.000 0.816 171 A HN -0.522 7.513 8.150 -0.035 0.094 0.444 172 Y N -5.838 114.501 120.300 0.065 0.000 2.495 172 Y HA 0.488 5.113 4.550 0.124 0.000 0.362 172 Y C -2.432 173.531 175.900 0.105 0.000 0.956 172 Y CA -3.663 54.507 58.100 0.118 0.000 1.127 172 Y CB -0.228 38.342 38.460 0.183 0.000 1.173 172 Y HN -0.413 7.914 8.280 0.077 0.000 0.639 173 P HA -0.071 4.532 4.420 0.112 -0.116 0.264 173 P C 0.869 178.241 177.300 0.120 0.000 1.193 173 P CA 1.046 64.215 63.100 0.115 0.000 0.763 173 P CB 0.141 31.881 31.700 0.066 0.000 0.810 174 G N 3.796 112.656 108.800 0.101 0.000 2.168 174 G HA2 -0.366 3.632 3.960 0.062 0.000 0.263 174 G HA3 -0.366 3.630 3.960 0.060 0.000 0.263 174 G C 0.075 175.027 174.900 0.087 0.000 0.977 174 G CA 0.706 45.852 45.100 0.077 0.000 0.659 174 G HN 0.503 8.850 8.290 0.096 0.000 0.533 175 Q N -2.380 117.510 119.800 0.150 0.000 2.189 175 Q HA 0.103 4.477 4.340 0.057 0.000 0.223 175 Q C -0.596 175.537 176.000 0.221 0.000 0.828 175 Q CA -0.418 55.477 55.803 0.152 0.000 0.967 175 Q CB 1.627 30.494 28.738 0.213 0.000 1.139 175 Q HN -0.353 7.969 8.270 0.193 0.063 0.497 176 I N 0.614 121.308 120.570 0.207 0.000 2.321 176 I HA 0.066 4.378 4.170 0.236 0.000 0.291 176 I C -0.440 175.753 176.117 0.127 0.000 0.998 176 I CA -2.252 59.161 61.300 0.189 0.000 1.227 176 I CB -0.927 37.176 38.000 0.173 0.000 1.368 176 I HN -0.478 7.842 8.210 0.184 0.000 0.466 177 T N 2.564 117.191 114.554 0.121 0.000 2.910 177 T HA 0.374 4.764 4.350 0.067 0.000 0.279 177 T C 0.902 175.652 174.700 0.082 0.000 0.989 177 T CA -2.088 60.061 62.100 0.082 0.000 0.968 177 T CB 2.235 71.143 68.868 0.067 0.000 1.135 177 T HN -0.402 7.926 8.240 0.148 0.000 0.562 178 S N -1.936 113.797 115.700 0.056 0.000 2.547 178 S HA -0.172 4.333 4.470 0.059 0.000 0.235 178 S C 0.270 174.905 174.600 0.058 0.000 0.980 178 S CA 1.990 60.218 58.200 0.047 0.000 0.941 178 S CB -0.180 63.028 63.200 0.014 0.000 0.763 178 S HN 0.266 8.600 8.310 0.040 0.000 0.532 179 N N 0.011 118.758 118.700 0.078 0.000 2.251 179 N HA 0.178 4.972 4.740 0.090 0.000 0.217 179 N C -1.761 173.862 175.510 0.189 0.000 1.124 179 N CA -0.196 52.929 53.050 0.125 0.000 0.843 179 N CB 0.781 39.362 38.487 0.157 0.000 1.024 179 N HN -0.583 7.768 8.380 0.077 0.075 0.501 180 M N -1.333 118.366 119.600 0.165 0.000 2.631 180 M HA 0.898 5.653 4.480 0.082 -0.226 0.288 180 M C -2.366 174.050 176.300 0.193 0.000 1.260 180 M CA -0.419 54.955 55.300 0.123 0.000 0.842 180 M CB 5.298 37.950 32.600 0.087 0.000 1.743 180 M HN -0.717 7.573 8.290 0.147 0.088 0.461 181 F N -6.800 113.191 119.950 0.069 0.000 2.686 181 F HA 0.598 5.153 4.527 0.046 0.000 0.311 181 F C -2.887 172.962 175.800 0.081 0.000 1.128 181 F CA -1.515 56.522 58.000 0.061 0.000 0.946 181 F CB 2.202 41.233 39.000 0.053 0.000 1.336 181 F HN 0.072 8.238 8.300 -0.223 0.000 0.457 182 c N -0.206 118.580 118.600 0.310 0.000 2.391 182 c HA 1.003 5.855 4.570 0.119 -0.211 0.339 182 c C -1.075 173.213 174.090 0.330 0.000 1.205 182 c CA -1.042 55.415 56.329 0.214 0.000 1.937 182 c CB 2.835 45.432 42.510 0.146 0.000 2.341 182 c HN 0.911 9.355 8.230 0.356 0.000 0.516 183 A N 3.269 126.249 122.820 0.267 0.000 2.499 183 A HA 0.720 5.248 4.320 0.060 -0.172 0.280 183 A C -2.229 175.389 177.584 0.057 0.000 1.135 183 A CA -0.604 51.492 52.037 0.099 0.000 0.744 183 A CB 2.639 21.572 19.000 -0.113 0.000 1.213 183 A HN 0.503 8.851 8.150 0.330 0.000 0.434 184 Y N 2.876 123.211 120.300 0.057 0.000 2.365 184 Y HA 0.049 4.620 4.550 0.035 0.000 0.340 184 Y C 0.999 176.918 175.900 0.031 0.000 1.016 184 Y CA -0.188 57.935 58.100 0.039 0.000 1.196 184 Y CB 0.522 39.003 38.460 0.035 0.000 1.167 184 Y HN 0.249 8.674 8.280 0.241 0.000 0.509 185 L N 4.101 125.399 121.223 0.125 0.000 2.275 185 L HA -0.324 4.050 4.340 0.056 0.000 0.215 185 L C 1.147 178.064 176.870 0.079 0.000 1.119 185 L CA 2.279 57.163 54.840 0.073 0.000 0.790 185 L CB -0.419 41.662 42.059 0.037 0.000 0.919 185 L HN 0.535 8.822 8.230 0.095 0.000 0.443 186 E N -2.204 118.064 120.200 0.112 0.000 2.418 186 E HA -0.136 4.244 4.350 0.050 0.000 0.197 186 E C 0.789 177.426 176.600 0.062 0.000 1.026 186 E CA 0.290 56.733 56.400 0.073 0.000 0.862 186 E CB -0.437 29.302 29.700 0.064 0.000 0.799 186 E HN 0.096 8.517 8.360 0.163 0.037 0.518 187 G N 0.852 109.706 108.800 0.090 0.000 3.405 187 G HA2 -0.379 3.665 3.960 0.087 0.000 0.676 187 G HA3 -0.379 3.622 3.960 0.046 -0.013 0.676 187 G C -0.852 174.070 174.900 0.036 0.000 1.039 187 G CA -0.157 44.984 45.100 0.067 0.000 0.855 187 G HN -0.535 7.675 8.290 0.140 0.165 0.443 188 K N 1.201 121.597 120.400 -0.007 0.000 6.999 188 K HA -0.603 3.887 4.320 0.009 -0.165 0.712 188 K C -1.354 175.345 176.600 0.166 0.000 2.465 188 K CA 0.456 56.755 56.287 0.020 0.000 1.780 188 K CB -0.088 32.307 32.500 -0.176 0.000 1.897 188 K HN 0.290 8.559 8.250 0.031 0.000 0.299 189 D N 0.574 121.057 120.400 0.139 0.000 2.764 189 D HA 0.292 5.063 4.640 0.217 0.000 0.293 189 D C -1.962 174.416 176.300 0.130 0.000 1.287 189 D CA -0.544 53.554 54.000 0.163 0.000 0.768 189 D CB 4.224 45.104 40.800 0.132 0.000 1.288 189 D HN 0.330 8.756 8.370 0.094 0.000 0.426 190 S N -1.759 114.031 115.700 0.151 0.000 2.707 190 S HA 0.359 4.950 4.470 0.105 -0.058 0.276 190 S C -1.432 173.223 174.600 0.091 0.000 1.179 190 S CA -0.673 57.604 58.200 0.128 0.000 0.992 190 S CB 1.863 65.174 63.200 0.185 0.000 1.030 190 S HN 0.255 8.673 8.310 0.181 0.000 0.554 191 c N -1.655 117.003 118.600 0.096 0.000 3.293 191 c HA 0.259 4.880 4.570 0.085 0.000 0.362 191 c C -1.556 172.621 174.090 0.145 0.000 1.539 191 c CA -0.542 55.846 56.329 0.099 0.000 1.201 191 c CB 3.028 45.585 42.510 0.078 0.000 1.770 191 c HN 0.380 8.992 8.230 0.110 -0.316 0.440 192 Q N 1.937 121.836 119.800 0.164 0.000 2.304 192 Q HA -0.323 4.145 4.340 0.213 0.000 0.301 192 Q C 0.872 177.057 176.000 0.309 0.000 1.063 192 Q CA 2.212 58.150 55.803 0.226 0.000 0.947 192 Q CB 0.643 29.516 28.738 0.226 0.000 1.201 192 Q HN 0.598 8.949 8.270 0.136 0.000 0.389 193 G N 6.158 115.135 108.800 0.295 0.000 2.254 193 G HA2 -0.402 3.724 3.960 0.277 0.000 0.225 193 G HA3 -0.402 3.834 3.960 0.459 0.000 0.225 193 G C 0.691 175.804 174.900 0.356 0.000 1.003 193 G CA 1.002 46.316 45.100 0.356 0.000 0.622 193 G HN 0.836 9.279 8.290 0.255 0.000 0.507 194 D N 1.252 121.807 120.400 0.259 0.000 2.346 194 D HA 0.074 4.857 4.640 0.238 0.000 0.206 194 D C 0.203 176.597 176.300 0.155 0.000 1.001 194 D CA 1.001 55.124 54.000 0.205 0.000 0.871 194 D CB 0.571 41.463 40.800 0.152 0.000 0.943 194 D HN 0.146 8.554 8.370 0.238 0.104 0.518 195 S N -0.753 115.035 115.700 0.146 0.000 2.573 195 S HA -0.543 4.143 4.470 0.107 -0.153 0.297 195 S C 1.031 175.627 174.600 -0.006 0.000 1.280 195 S CA 2.641 60.896 58.200 0.090 0.000 1.061 195 S CB 0.144 63.418 63.200 0.124 0.000 0.812 195 S HN -0.381 7.999 8.310 0.180 0.038 0.500 196 G N 4.428 113.213 108.800 -0.025 0.000 2.253 196 G HA2 -0.454 3.557 3.960 -0.048 0.000 0.251 196 G HA3 -0.454 3.571 3.960 -0.079 -0.112 0.251 196 G C -0.181 174.745 174.900 0.044 0.000 0.998 196 G CA 0.171 45.250 45.100 -0.034 0.000 0.621 196 G HN 0.824 9.013 8.290 0.004 0.103 0.524 197 G N 0.929 109.780 108.800 0.085 0.000 2.588 197 G HA2 0.381 4.482 3.960 0.119 0.000 0.281 197 G HA3 0.381 4.413 3.960 0.120 0.000 0.281 197 G C -2.704 172.280 174.900 0.140 0.000 1.236 197 G CA -1.996 43.175 45.100 0.118 0.000 0.969 197 G HN -0.272 7.978 8.290 0.088 0.092 0.504 198 P HA 0.351 4.978 4.420 0.142 -0.122 0.286 198 P C -1.637 175.740 177.300 0.128 0.000 1.261 198 P CA -0.946 62.251 63.100 0.163 0.000 0.821 198 P CB 1.655 33.510 31.700 0.259 0.000 1.013 199 V N 2.666 122.637 119.914 0.095 0.000 2.380 199 V HA 0.244 4.523 4.120 0.011 -0.153 0.286 199 V C -1.335 174.777 176.094 0.030 0.000 1.015 199 V CA -0.438 61.884 62.300 0.036 0.000 0.834 199 V CB 1.534 33.367 31.823 0.017 0.000 1.009 199 V HN -0.188 8.063 8.190 0.100 0.000 0.428 200 V N 8.076 127.997 119.914 0.013 0.000 2.459 200 V HA 0.613 4.890 4.120 -0.061 -0.193 0.295 200 V C -1.309 174.768 176.094 -0.028 0.000 1.029 200 V CA -1.233 61.046 62.300 -0.035 0.000 0.874 200 V CB 2.827 34.611 31.823 -0.064 0.000 0.985 200 V HN 0.726 8.938 8.190 0.035 0.000 0.438 201 c N 7.595 126.165 118.600 -0.049 0.000 2.431 201 c HA 0.573 5.121 4.570 -0.036 0.000 0.321 201 c C 0.132 174.192 174.090 -0.050 0.000 1.202 201 c CA -1.231 55.067 56.329 -0.052 0.000 1.398 201 c CB 1.899 44.359 42.510 -0.084 0.000 2.047 201 c HN 0.850 9.043 8.230 -0.060 0.000 0.465 202 S N 5.579 121.259 115.700 -0.034 0.000 3.549 202 S HA -0.339 4.120 4.470 -0.018 0.000 0.366 202 S C 0.347 174.927 174.600 -0.033 0.000 1.012 202 S CA 0.984 59.167 58.200 -0.029 0.000 1.141 202 S CB -1.256 61.923 63.200 -0.035 0.000 0.910 202 S HN 1.127 9.422 8.310 -0.026 0.000 0.471 203 G N -5.307 103.472 108.800 -0.036 0.000 2.155 203 G HA2 -0.354 3.571 3.960 -0.058 0.000 0.257 203 G HA3 -0.354 3.585 3.960 -0.035 0.000 0.257 203 G C -0.832 174.017 174.900 -0.086 0.000 0.983 203 G CA 0.456 45.524 45.100 -0.054 0.000 0.676 203 G HN 0.323 8.586 8.290 -0.028 0.011 0.528 210 Q N 1.245 121.069 119.800 0.040 0.000 2.396 210 Q HA 0.192 4.572 4.340 0.067 0.000 0.220 210 Q C -0.162 176.005 176.000 0.278 0.000 0.900 210 Q CA 0.218 56.068 55.803 0.078 0.000 0.925 210 Q CB 2.612 31.317 28.738 -0.056 0.000 1.065 210 Q HN 0.419 8.702 8.270 0.022 0.000 0.535 211 G N -3.417 105.563 108.800 0.300 0.000 2.725 211 G HA2 0.617 5.057 3.960 0.401 0.000 0.288 211 G HA3 0.617 4.847 3.960 0.450 0.000 0.288 211 G C -3.221 171.808 174.900 0.214 0.000 1.399 211 G CA -0.785 44.533 45.100 0.364 0.000 0.859 211 G HN -0.370 8.033 8.290 0.188 0.000 0.479 212 I N -1.538 119.149 120.570 0.196 0.000 2.498 212 I HA 0.552 5.026 4.170 0.162 -0.207 0.290 212 I C -0.491 175.745 176.117 0.199 0.000 1.032 212 I CA -1.372 60.024 61.300 0.159 0.000 1.073 212 I CB 4.304 42.353 38.000 0.082 0.000 1.251 212 I HN -0.391 7.921 8.210 0.171 0.000 0.426 213 V N 7.167 127.207 119.914 0.211 0.000 2.493 213 V HA -0.177 3.922 4.120 -0.034 0.000 0.292 213 V C -1.133 174.951 176.094 -0.017 0.000 1.016 213 V CA 2.034 64.387 62.300 0.089 0.000 1.097 213 V CB -0.920 30.992 31.823 0.148 0.000 0.947 213 V HN 0.458 8.763 8.190 0.191 0.000 0.479 214 S N 7.529 123.112 115.700 -0.196 0.000 3.200 214 S HA 0.300 4.941 4.470 0.284 0.000 0.209 214 S C -0.963 173.729 174.600 0.154 0.000 0.869 214 S CA 0.744 58.992 58.200 0.080 0.000 0.820 214 S CB 2.776 66.015 63.200 0.065 0.000 0.834 214 S HN -0.076 7.877 8.310 -0.595 0.000 0.622 215 W N -4.495 116.639 121.300 -0.277 0.000 2.940 215 W HA 0.267 4.822 4.660 -0.174 0.000 0.394 215 W C -2.836 173.513 176.519 -0.284 0.000 1.155 215 W CA -0.857 56.342 57.345 -0.243 0.000 1.165 215 W CB 0.635 29.949 29.460 -0.244 0.000 1.492 215 W HN -0.062 7.760 8.180 -0.596 0.000 0.593 216 G N -3.378 105.472 108.800 0.083 0.000 2.356 216 G HA2 0.116 3.808 3.960 -0.446 0.000 0.294 216 G HA3 0.116 4.017 3.960 -0.097 0.000 0.294 216 G C -2.136 172.902 174.900 0.231 0.000 1.423 216 G CA 0.092 45.151 45.100 -0.068 0.000 0.806 216 G HN -0.031 8.498 8.290 0.397 0.000 0.527 220 c N 1.963 120.605 118.600 0.069 0.000 3.471 220 c HA 0.343 5.116 4.570 0.073 -0.160 0.191 220 c C -1.458 172.668 174.090 0.060 0.000 1.480 220 c CA -0.841 55.527 56.329 0.065 0.000 1.281 220 c CB -1.177 41.366 42.510 0.056 0.000 1.898 220 c HN 0.321 8.587 8.230 0.060 0.000 0.533 221 Q N -1.793 118.043 119.800 0.061 0.000 2.889 221 Q HA 0.147 4.510 4.340 0.038 0.000 0.262 221 Q C -1.569 174.456 176.000 0.043 0.000 0.966 221 Q CA -0.752 55.079 55.803 0.046 0.000 0.858 221 Q CB 2.297 31.063 28.738 0.047 0.000 1.845 221 Q HN 0.121 8.434 8.270 0.072 0.000 0.464 222 K N 3.694 124.112 120.400 0.030 0.000 2.436 222 K HA -0.245 4.292 4.320 0.039 -0.194 0.275 222 K C 0.227 176.829 176.600 0.003 0.000 0.999 222 K CA 0.686 56.987 56.287 0.024 0.000 0.980 222 K CB 0.113 32.623 32.500 0.017 0.000 0.919 222 K HN 0.238 8.503 8.250 0.025 0.000 0.484 223 N N 1.491 120.189 118.700 -0.003 0.000 2.713 223 N HA -0.478 4.240 4.740 -0.037 0.000 0.251 223 N C -1.657 173.782 175.510 -0.118 0.000 1.117 223 N CA 1.831 54.852 53.050 -0.049 0.000 0.770 223 N CB -0.423 38.029 38.487 -0.058 0.000 1.137 223 N HN 0.751 9.014 8.380 0.018 0.128 0.566 224 K N -2.566 117.797 120.400 -0.062 0.000 2.842 224 K HA 0.543 4.673 4.320 -0.318 0.000 0.176 224 K C -2.410 174.248 176.600 0.097 0.000 1.080 224 K CA -3.481 52.770 56.287 -0.061 0.000 0.954 224 K CB -0.157 32.361 32.500 0.029 0.000 1.203 224 K HN -0.800 7.385 8.250 -0.003 0.064 0.611 225 P HA -0.047 4.448 4.420 0.125 0.000 0.274 225 P C -0.586 176.784 177.300 0.117 0.000 1.260 225 P CA -0.424 62.758 63.100 0.136 0.000 0.793 225 P CB 1.161 32.928 31.700 0.112 0.000 1.048 226 G N -2.500 106.344 108.800 0.073 0.000 2.476 226 G HA2 0.340 4.121 3.960 -0.298 0.000 0.269 226 G HA3 0.340 4.243 3.960 -0.096 0.000 0.269 226 G C -1.860 172.799 174.900 -0.401 0.000 1.195 226 G CA -0.773 44.217 45.100 -0.184 0.000 0.843 226 G HN -0.381 8.007 8.290 0.163 0.000 0.545 227 V N 2.221 121.535 119.914 -1.000 0.000 2.495 227 V HA 0.749 4.697 4.120 -0.608 -0.193 0.298 227 V C -0.955 174.393 176.094 -1.242 0.000 1.031 227 V CA -1.149 60.504 62.300 -1.079 0.000 0.871 227 V CB 2.253 32.949 31.823 -1.878 0.000 0.988 227 V HN 0.560 8.088 8.190 -1.103 0.000 0.432 228 Y N 5.108 124.988 120.300 -0.699 0.000 2.499 228 Y HA 0.612 5.068 4.550 -0.392 -0.141 0.347 228 Y C 0.252 175.843 175.900 -0.516 0.000 0.987 228 Y CA -2.355 55.342 58.100 -0.673 0.000 1.044 228 Y CB 3.840 41.631 38.460 -1.115 0.000 1.245 228 Y HN 1.031 8.958 8.280 -0.589 0.000 0.461 229 T N 4.781 119.282 114.554 -0.088 0.000 2.870 229 T HA 0.011 4.573 4.350 0.091 -0.158 0.300 229 T C -0.640 174.181 174.700 0.202 0.000 0.989 229 T CA 1.440 63.580 62.100 0.067 0.000 1.139 229 T CB 0.507 69.407 68.868 0.053 0.000 0.920 229 T HN 0.388 8.604 8.240 -0.039 0.000 0.537 230 K N 8.230 128.835 120.400 0.341 0.000 2.127 230 K HA 0.075 4.805 4.320 0.683 0.000 0.261 230 K C 1.015 177.867 176.600 0.419 0.000 1.129 230 K CA -0.494 56.074 56.287 0.468 0.000 0.993 230 K CB -0.372 32.353 32.500 0.375 0.000 1.410 230 K HN 0.283 8.608 8.250 0.308 0.109 0.380 231 V N 6.046 126.192 119.914 0.387 0.000 2.380 231 V HA -0.548 3.872 4.120 0.500 0.000 0.251 231 V C 1.508 177.766 176.094 0.272 0.000 1.063 231 V CA 3.959 66.475 62.300 0.360 0.000 1.055 231 V CB -0.311 31.651 31.823 0.232 0.000 0.657 231 V HN 0.209 8.637 8.190 0.396 0.000 0.455 232 c N -3.097 115.599 118.600 0.160 0.000 2.403 232 c HA -0.262 4.352 4.570 0.074 0.000 0.282 232 c C 1.784 175.893 174.090 0.031 0.000 1.297 232 c CA 2.038 58.412 56.329 0.075 0.000 1.785 232 c CB -2.073 40.454 42.510 0.027 0.000 1.963 232 c HN 0.483 8.809 8.230 0.160 0.000 0.507 233 N N 0.074 118.759 118.700 -0.026 0.000 2.494 233 N HA -0.111 4.526 4.740 -0.172 0.000 0.182 233 N C -0.014 175.246 175.510 -0.416 0.000 1.076 233 N CA 1.311 54.199 53.050 -0.270 0.000 0.908 233 N CB -0.243 37.942 38.487 -0.503 0.000 0.967 233 N HN -0.370 8.004 8.380 0.053 0.038 0.449 234 Y N -5.188 115.180 120.300 0.114 0.000 2.481 234 Y HA 0.116 4.801 4.550 0.224 0.000 0.247 234 Y C 0.250 176.281 175.900 0.219 0.000 1.151 234 Y CA -0.310 57.910 58.100 0.201 0.000 1.238 234 Y CB 0.009 38.609 38.460 0.234 0.000 1.179 234 Y HN -0.097 8.081 8.280 0.168 0.202 0.524 235 V N 1.162 121.215 119.914 0.231 0.000 2.287 235 V HA -0.597 3.618 4.120 0.157 0.000 0.248 235 V C 1.328 177.494 176.094 0.119 0.000 1.053 235 V CA 5.086 67.476 62.300 0.150 0.000 1.027 235 V CB -0.573 31.299 31.823 0.081 0.000 0.646 235 V HN -0.867 7.421 8.190 0.164 0.000 0.447 236 S N -0.231 115.540 115.700 0.119 0.000 2.368 236 S HA -0.329 4.161 4.470 0.034 0.000 0.225 236 S C 1.617 176.285 174.600 0.113 0.000 1.030 236 S CA 3.643 61.893 58.200 0.085 0.000 0.999 236 S CB -0.522 62.726 63.200 0.079 0.000 0.844 236 S HN 0.161 8.540 8.310 0.115 0.000 0.459 237 W N 4.113 125.455 121.300 0.070 0.000 2.333 237 W HA -0.207 4.485 4.660 0.053 0.000 0.316 237 W C 1.460 177.993 176.519 0.025 0.000 1.215 237 W CA 3.135 60.533 57.345 0.087 0.000 1.278 237 W CB -0.098 29.507 29.460 0.243 0.000 1.154 237 W HN -0.436 7.971 8.180 0.379 0.000 0.486 238 I N -1.244 119.320 120.570 -0.009 0.000 2.127 238 I HA -0.782 3.004 4.170 -0.640 0.000 0.241 238 I C 1.974 177.861 176.117 -0.383 0.000 1.075 238 I CA 4.590 65.712 61.300 -0.298 0.000 1.334 238 I CB -0.276 37.706 38.000 -0.031 0.000 1.040 238 I HN 0.120 8.534 8.210 0.341 0.000 0.405 239 K N -1.051 119.222 120.400 -0.213 0.000 2.032 239 K HA -0.449 3.721 4.320 -0.249 0.000 0.209 239 K C 2.737 179.183 176.600 -0.256 0.000 1.048 239 K CA 3.831 59.990 56.287 -0.213 0.000 0.927 239 K CB -0.379 32.057 32.500 -0.105 0.000 0.712 239 K HN -0.056 8.135 8.250 -0.099 0.000 0.441 240 Q N -2.116 117.546 119.800 -0.231 0.000 2.084 240 Q HA -0.307 3.938 4.340 -0.158 0.000 0.202 240 Q C 2.730 178.543 176.000 -0.311 0.000 0.978 240 Q CA 3.404 59.079 55.803 -0.214 0.000 0.844 240 Q CB 0.036 28.693 28.738 -0.136 0.000 0.898 240 Q HN 0.231 8.389 8.270 -0.185 0.000 0.426 241 T N 2.683 116.925 114.554 -0.519 0.000 2.737 241 T HA -0.271 3.837 4.350 -0.404 0.000 0.265 241 T C 2.290 176.668 174.700 -0.536 0.000 1.038 241 T CA 4.947 66.696 62.100 -0.586 0.000 1.144 241 T CB -0.142 68.090 68.868 -1.059 0.000 0.866 241 T HN 0.140 7.900 8.240 -0.623 0.106 0.434 242 I N 0.989 121.126 120.570 -0.721 0.000 2.226 242 I HA -0.486 2.902 4.170 -1.305 0.000 0.245 242 I C 1.852 177.751 176.117 -0.364 0.000 1.100 242 I CA 3.862 64.629 61.300 -0.887 0.000 1.374 242 I CB -0.394 37.005 38.000 -1.003 0.000 1.057 242 I HN 0.234 8.011 8.210 -0.721 0.000 0.413 243 A N -0.682 121.973 122.820 -0.275 0.000 2.019 243 A HA -0.216 4.044 4.320 -0.100 0.000 0.219 243 A C 1.272 178.809 177.584 -0.078 0.000 1.164 243 A CA 2.772 54.728 52.037 -0.136 0.000 0.644 243 A CB -0.502 18.427 19.000 -0.119 0.000 0.805 243 A HN 0.119 8.074 8.150 -0.324 0.000 0.449 244 S N -4.694 110.949 115.700 -0.096 0.000 2.557 244 S HA 0.109 4.566 4.470 -0.020 0.000 0.223 244 S C -0.894 173.716 174.600 0.017 0.000 0.969 244 S CA 0.610 58.787 58.200 -0.038 0.000 0.927 244 S CB 0.989 64.157 63.200 -0.054 0.000 0.806 244 S HN -0.366 7.713 8.310 -0.163 0.134 0.489 245 N N 0.000 118.742 118.700 0.070 0.000 1.763 245 N HA 0.000 4.818 4.740 0.130 0.000 0.220 245 N CA 0.000 53.168 53.050 0.197 0.000 0.885 245 N CB 0.000 38.684 38.487 0.329 0.000 1.341 245 N HN 0.000 8.232 8.380 0.036 0.169 0.667