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 1gj6_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 4.181 4.170 0.018 0.000 0.288 16 I C 0.000 176.107 176.117 -0.017 0.000 1.063 16 I CA 0.000 61.293 61.300 -0.012 0.000 1.566 16 I CB 0.000 37.958 38.000 -0.071 0.000 1.214 17 V N 5.716 125.632 119.914 0.002 0.000 2.435 17 V HA 0.274 4.531 4.120 -0.015 -0.146 0.290 17 V C 0.635 176.729 176.094 0.001 0.000 1.030 17 V CA -1.593 60.706 62.300 -0.002 0.000 0.881 17 V CB 1.293 33.121 31.823 0.009 0.000 0.983 17 V HN 0.823 9.027 8.190 0.023 0.000 0.445 18 G N 7.017 115.812 108.800 -0.008 0.000 2.179 18 G HA2 -0.400 3.554 3.960 -0.010 0.000 0.257 18 G HA3 -0.400 3.695 3.960 -0.026 -0.150 0.257 18 G C -0.703 174.203 174.900 0.009 0.000 1.010 18 G CA 0.562 45.655 45.100 -0.011 0.000 0.736 18 G HN 0.786 9.070 8.290 -0.011 0.000 0.513 19 G N -1.218 107.585 108.800 0.005 0.000 2.702 19 G HA2 0.492 4.483 3.960 0.082 0.000 0.254 19 G HA3 0.492 4.492 3.960 -0.096 -0.098 0.254 19 G C -1.711 173.230 174.900 0.069 0.000 1.380 19 G CA -1.066 44.038 45.100 0.006 0.000 1.042 19 G HN -0.681 7.568 8.290 -0.013 0.033 0.557 20 Y N -6.075 114.205 120.300 -0.034 0.000 2.634 20 Y HA 0.400 4.932 4.550 -0.030 0.000 0.340 20 Y C -1.785 174.088 175.900 -0.046 0.000 1.058 20 Y CA -2.887 55.192 58.100 -0.034 0.000 1.081 20 Y CB 1.107 39.550 38.460 -0.029 0.000 1.295 20 Y HN 0.286 8.231 8.280 -0.558 0.000 0.487 21 T N 2.218 116.833 114.554 0.102 0.000 2.834 21 T HA 0.081 4.498 4.350 -0.093 -0.123 0.298 21 T C 0.179 174.906 174.700 0.044 0.000 0.966 21 T CA 1.016 63.119 62.100 0.005 0.000 1.141 21 T CB -0.027 68.868 68.868 0.045 0.000 0.905 21 T HN 0.002 8.353 8.240 0.185 0.000 0.535 22 c N 6.253 124.785 118.600 -0.112 0.000 2.429 22 c HA -0.111 4.465 4.570 0.010 0.000 0.277 22 c C 0.178 174.289 174.090 0.034 0.000 1.262 22 c CA 0.917 57.212 56.329 -0.058 0.000 1.733 22 c CB 0.237 42.642 42.510 -0.176 0.000 2.010 22 c HN 0.168 8.281 8.230 -0.195 0.000 0.483 23 G N -2.160 106.643 108.800 0.005 0.000 2.885 23 G HA2 -0.174 3.801 3.960 0.026 0.000 0.685 23 G HA3 -0.174 3.804 3.960 0.031 0.000 0.685 23 G C -1.905 172.996 174.900 0.002 0.000 1.216 23 G CA -0.794 44.319 45.100 0.020 0.000 0.790 23 G HN -0.386 7.889 8.290 -0.024 0.000 0.631 24 A N 3.897 126.725 122.820 0.014 0.000 2.567 24 A HA -0.224 4.315 4.320 0.024 -0.204 0.240 24 A C -0.149 177.439 177.584 0.007 0.000 1.053 24 A CA 1.108 53.156 52.037 0.018 0.000 0.755 24 A CB 0.092 19.109 19.000 0.028 0.000 0.978 24 A HN 0.325 8.487 8.150 0.021 0.000 0.507 25 N N -2.734 115.968 118.700 0.002 0.000 2.714 25 N HA -0.372 4.358 4.740 -0.016 0.000 0.250 25 N C 0.401 175.892 175.510 -0.031 0.000 1.117 25 N CA 1.627 54.670 53.050 -0.011 0.000 0.719 25 N CB -1.052 37.439 38.487 0.007 0.000 1.081 25 N HN 0.544 8.932 8.380 0.014 0.000 0.557 26 T N -3.578 110.950 114.554 -0.045 0.000 3.129 26 T HA 0.018 4.360 4.350 -0.013 0.000 0.251 26 T C -0.109 174.540 174.700 -0.084 0.000 1.117 26 T CA 1.947 64.025 62.100 -0.036 0.000 1.034 26 T CB 0.443 69.305 68.868 -0.010 0.000 0.968 26 T HN -0.536 7.643 8.240 -0.049 0.032 0.526 27 V N 2.001 121.805 119.914 -0.183 0.000 2.384 27 V HA 0.359 4.224 4.120 -0.425 0.000 0.257 27 V C -1.515 174.279 176.094 -0.500 0.000 0.969 27 V CA -3.309 58.728 62.300 -0.439 0.000 0.910 27 V CB 0.615 32.159 31.823 -0.465 0.000 1.150 27 V HN -0.564 7.452 8.190 -0.154 0.082 0.481 28 P HA 0.044 4.518 4.420 -0.081 -0.103 0.226 28 P C 0.168 177.427 177.300 -0.068 0.000 1.153 28 P CA 1.633 64.666 63.100 -0.111 0.000 0.777 28 P CB 0.107 31.815 31.700 0.014 0.000 0.794 29 Y N -6.203 114.121 120.300 0.040 0.000 2.482 29 Y HA 0.469 5.194 4.550 0.055 -0.142 0.270 29 Y C -0.494 175.442 175.900 0.060 0.000 1.152 29 Y CA -3.099 55.031 58.100 0.049 0.000 1.292 29 Y CB -1.227 37.257 38.460 0.041 0.000 1.070 29 Y HN -0.409 7.298 8.280 -0.868 0.052 0.528 30 Q N 2.790 122.447 119.800 -0.238 0.000 2.313 30 Q HA 0.132 4.646 4.340 0.075 -0.129 0.266 30 Q C -0.263 175.815 176.000 0.130 0.000 0.989 30 Q CA 0.344 56.120 55.803 -0.044 0.000 0.890 30 Q CB 0.949 29.557 28.738 -0.216 0.000 1.200 30 Q HN -0.677 7.099 8.270 -0.550 0.164 0.396 31 V N 1.122 121.151 119.914 0.192 0.000 3.074 31 V HA 0.798 5.140 4.120 0.184 -0.111 0.314 31 V C -2.039 174.195 176.094 0.233 0.000 1.117 31 V CA -2.904 59.503 62.300 0.178 0.000 1.014 31 V CB 3.966 35.844 31.823 0.092 0.000 1.057 31 V HN 0.399 8.700 8.190 0.185 0.000 0.438 32 S N 0.234 115.973 115.700 0.064 0.000 2.473 32 S HA 0.464 5.146 4.470 0.173 -0.108 0.307 32 S C -1.110 173.351 174.600 -0.232 0.000 1.094 32 S CA -1.952 56.221 58.200 -0.045 0.000 1.070 32 S CB 1.816 64.790 63.200 -0.376 0.000 1.019 32 S HN 0.021 8.330 8.310 -0.001 0.000 0.480 33 L N 6.834 127.777 121.223 -0.466 0.000 2.275 33 L HA 0.519 4.742 4.340 -0.395 -0.121 0.288 33 L C -1.602 174.772 176.870 -0.826 0.000 1.046 33 L CA -0.818 53.621 54.840 -0.668 0.000 0.805 33 L CB 0.983 42.454 42.059 -0.979 0.000 1.193 33 L HN 0.883 8.786 8.230 -0.546 0.000 0.426 38 G N 0.820 109.511 108.800 -0.182 0.000 2.179 38 G HA2 -0.342 3.603 3.960 -0.025 0.000 0.220 38 G HA3 -0.342 3.683 3.960 0.107 0.000 0.220 38 G C -1.823 173.161 174.900 0.140 0.000 0.990 38 G CA 0.239 45.346 45.100 0.012 0.000 0.646 38 G HN 0.300 8.754 8.290 -0.217 -0.294 0.517 39 Y N -7.246 113.026 120.300 -0.046 0.000 2.732 39 Y HA 0.213 4.721 4.550 -0.071 0.000 0.342 39 Y C -2.524 173.365 175.900 -0.019 0.000 1.203 39 Y CA -3.445 54.627 58.100 -0.047 0.000 1.092 39 Y CB 0.692 39.123 38.460 -0.049 0.000 1.345 39 Y HN -1.174 6.857 8.280 -0.454 -0.024 0.458 40 H N 2.370 121.380 119.070 -0.100 0.000 2.690 40 H HA 0.086 4.577 4.556 -0.360 -0.151 0.314 40 H C -0.464 174.837 175.328 -0.045 0.000 1.069 40 H CA -0.641 55.276 56.048 -0.219 0.000 1.436 40 H CB 0.433 30.051 29.762 -0.241 0.000 1.462 40 H HN 0.256 8.628 8.280 0.153 0.000 0.511 41 F N 3.185 122.702 119.950 -0.721 0.000 2.778 41 F HA 0.292 4.721 4.527 -0.164 0.000 0.314 41 F C -2.013 173.531 175.800 -0.427 0.000 1.073 41 F CA -1.125 56.638 58.000 -0.395 0.000 1.218 41 F CB 1.425 40.268 39.000 -0.262 0.000 1.037 41 F HN 0.030 7.628 8.300 -1.170 0.000 0.594 42 c N -1.568 116.353 118.600 -1.132 0.000 3.311 42 c HA 0.408 4.899 4.570 -0.219 -0.053 0.325 42 c C -1.620 172.255 174.090 -0.358 0.000 1.352 42 c CA -0.290 55.714 56.329 -0.541 0.000 1.308 42 c CB 4.028 46.293 42.510 -0.408 0.000 1.619 42 c HN -0.790 6.452 8.230 -1.647 0.000 0.469 43 G N -0.891 107.899 108.800 -0.017 0.000 2.552 43 G HA2 0.801 5.067 3.960 0.246 0.000 0.318 43 G HA3 0.801 4.891 3.960 0.216 0.000 0.318 43 G C -2.481 172.443 174.900 0.041 0.000 1.240 43 G CA -1.595 43.592 45.100 0.145 0.000 1.002 43 G HN 0.741 9.031 8.290 0.001 0.000 0.493 44 G N -4.003 104.855 108.800 0.095 0.000 2.506 44 G HA2 0.511 4.788 3.960 0.071 0.000 0.292 44 G HA3 0.511 4.500 3.960 0.049 0.000 0.292 44 G C -2.948 172.034 174.900 0.136 0.000 1.425 44 G CA 0.360 45.508 45.100 0.080 0.000 0.788 44 G HN -0.616 7.764 8.290 0.151 0.000 0.490 45 S N -0.435 115.350 115.700 0.142 0.000 2.532 45 S HA 0.775 5.598 4.470 0.262 -0.196 0.299 45 S C -1.252 173.449 174.600 0.168 0.000 1.105 45 S CA -0.882 57.435 58.200 0.196 0.000 1.018 45 S CB 3.685 66.987 63.200 0.170 0.000 1.021 45 S HN 0.491 8.872 8.310 0.118 0.000 0.483 46 L N 6.319 127.658 121.223 0.194 0.000 2.313 46 L HA 0.128 4.669 4.340 0.147 -0.112 0.282 46 L C -0.757 176.197 176.870 0.139 0.000 1.092 46 L CA -0.008 54.928 54.840 0.160 0.000 0.831 46 L CB 1.016 43.169 42.059 0.157 0.000 1.159 46 L HN 0.441 8.823 8.230 0.254 0.000 0.442 47 I N 0.084 120.733 120.570 0.132 0.000 4.070 47 I HA 0.521 4.884 4.170 0.064 -0.155 0.328 47 I C -0.942 175.232 176.117 0.096 0.000 1.298 47 I CA -0.671 60.685 61.300 0.092 0.000 1.173 47 I CB 0.874 38.917 38.000 0.072 0.000 1.051 47 I HN 0.345 8.652 8.210 0.162 0.000 0.409 48 N N -2.288 116.492 118.700 0.134 0.000 3.261 48 N HA 0.162 4.958 4.740 0.094 0.000 0.248 48 N C -0.658 174.932 175.510 0.132 0.000 1.498 48 N CA -0.517 52.609 53.050 0.127 0.000 0.884 48 N CB 0.768 39.342 38.487 0.145 0.000 1.428 48 N HN -0.928 7.547 8.380 0.158 0.000 0.517 49 S N -3.555 112.210 115.700 0.107 0.000 2.547 49 S HA -0.319 4.193 4.470 0.071 0.000 0.235 49 S C 0.765 175.398 174.600 0.055 0.000 0.980 49 S CA 2.650 60.896 58.200 0.076 0.000 0.941 49 S CB -0.170 63.063 63.200 0.055 0.000 0.763 49 S HN 0.388 8.758 8.310 0.100 0.000 0.532 50 Q N -0.579 119.269 119.800 0.081 0.000 2.140 50 Q HA 0.342 4.625 4.340 -0.096 0.000 0.227 50 Q C -2.178 173.702 176.000 -0.200 0.000 0.798 50 Q CA -0.376 55.382 55.803 -0.075 0.000 0.987 50 Q CB 2.801 31.472 28.738 -0.113 0.000 1.161 50 Q HN 0.224 8.918 8.270 0.175 -0.320 0.480 51 W N -2.312 118.995 121.300 0.012 0.000 2.915 51 W HA 0.724 5.590 4.660 0.009 -0.201 0.337 51 W C -1.483 175.049 176.519 0.023 0.000 1.102 51 W CA -1.090 56.261 57.345 0.010 0.000 1.224 51 W CB 3.839 33.296 29.460 -0.005 0.000 1.416 51 W HN -0.446 8.008 8.180 0.269 -0.113 0.503 52 V N 0.828 120.904 119.914 0.270 0.000 2.769 52 V HA 0.795 5.195 4.120 0.170 -0.178 0.312 52 V C -1.437 174.771 176.094 0.190 0.000 1.061 52 V CA -1.798 60.610 62.300 0.180 0.000 0.931 52 V CB 3.734 35.620 31.823 0.106 0.000 1.010 52 V HN 0.810 9.173 8.190 0.288 0.000 0.433 53 V N 5.072 125.074 119.914 0.146 0.000 2.555 53 V HA 0.758 5.136 4.120 0.154 -0.166 0.302 53 V C -1.303 174.848 176.094 0.094 0.000 1.038 53 V CA -1.293 61.086 62.300 0.131 0.000 0.887 53 V CB 2.466 34.358 31.823 0.116 0.000 0.991 53 V HN 0.590 8.860 8.190 0.134 0.000 0.434 54 S N 3.885 119.629 115.700 0.072 0.000 2.880 54 S HA 0.607 5.310 4.470 0.032 -0.214 0.308 54 S C -2.080 172.513 174.600 -0.012 0.000 1.195 54 S CA -2.457 55.758 58.200 0.025 0.000 0.866 54 S CB 2.525 65.726 63.200 0.002 0.000 1.254 54 S HN 0.673 9.036 8.310 0.089 0.000 0.571 55 A N -0.648 122.127 122.820 -0.075 0.000 2.303 55 A HA 0.489 4.907 4.320 -0.097 -0.157 0.317 55 A C 0.431 177.902 177.584 -0.189 0.000 1.149 55 A CA -1.762 50.193 52.037 -0.136 0.000 0.822 55 A CB 1.622 20.497 19.000 -0.209 0.000 1.131 55 A HN 0.346 8.441 8.150 -0.092 0.000 0.493 56 A N 4.150 126.805 122.820 -0.276 0.000 1.933 56 A HA -0.255 3.916 4.320 -0.249 0.000 0.218 56 A C 1.328 178.694 177.584 -0.364 0.000 1.175 56 A CA 2.910 54.666 52.037 -0.468 0.000 0.628 56 A CB -0.342 17.944 19.000 -1.189 0.000 0.814 56 A HN 0.596 8.610 8.150 -0.259 -0.019 0.444 57 H N -4.877 114.038 119.070 -0.258 0.000 2.563 57 H HA -0.065 4.519 4.556 0.046 0.000 0.272 57 H C 0.113 175.493 175.328 0.087 0.000 1.005 57 H CA 1.383 57.435 56.048 0.007 0.000 1.171 57 H CB -1.164 28.674 29.762 0.127 0.000 1.351 57 H HN 0.128 8.628 8.280 -0.168 -0.320 0.602 58 c N -1.755 116.765 118.600 -0.134 0.000 2.791 58 c HA 0.038 4.670 4.570 0.103 0.000 0.270 58 c C 0.316 174.486 174.090 0.132 0.000 1.257 58 c CA 0.085 56.428 56.329 0.025 0.000 1.699 58 c CB -1.414 41.080 42.510 -0.027 0.000 1.904 58 c HN -0.279 7.637 8.230 -0.198 0.195 0.603 59 Y N 2.974 123.274 120.300 -0.001 0.000 2.597 59 Y HA -0.244 4.328 4.550 0.036 0.000 0.336 59 Y C -1.089 174.793 175.900 -0.030 0.000 1.216 59 Y CA 2.050 60.154 58.100 0.006 0.000 1.463 59 Y CB 0.910 39.361 38.460 -0.014 0.000 1.303 59 Y HN -0.405 7.789 8.280 0.157 0.180 0.576 60 K N 5.752 125.399 120.400 -1.255 0.000 2.711 60 K HA 0.178 4.069 4.320 -0.716 0.000 0.294 60 K C -2.366 173.709 176.600 -0.875 0.000 1.037 60 K CA -0.808 54.944 56.287 -0.892 0.000 0.858 60 K CB 2.329 34.482 32.500 -0.579 0.000 1.521 60 K HN -0.116 7.235 8.250 -1.499 0.000 0.386 61 S N -0.467 114.951 115.700 -0.469 0.000 2.713 61 S HA 0.130 4.432 4.470 -0.280 0.000 0.283 61 S C 0.689 175.164 174.600 -0.208 0.000 1.161 61 S CA -0.440 57.599 58.200 -0.267 0.000 0.999 61 S CB 1.403 64.537 63.200 -0.110 0.000 1.039 61 S HN -0.169 7.937 8.310 -0.340 0.000 0.548 62 G N -0.156 108.563 108.800 -0.135 0.000 2.298 62 G HA2 -0.255 3.655 3.960 -0.083 0.000 0.287 62 G HA3 -0.255 3.638 3.960 -0.112 0.000 0.287 62 G C -1.729 173.102 174.900 -0.115 0.000 1.075 62 G CA 0.246 45.280 45.100 -0.111 0.000 0.960 62 G HN 0.295 8.521 8.290 -0.107 0.000 0.502 63 I N -1.369 119.144 120.570 -0.094 0.000 2.392 63 I HA 0.121 4.406 4.170 -0.002 -0.115 0.295 63 I C -1.761 174.315 176.117 -0.068 0.000 0.985 63 I CA -1.082 60.193 61.300 -0.042 0.000 1.221 63 I CB 1.324 39.322 38.000 -0.003 0.000 1.366 63 I HN -0.527 7.626 8.210 -0.095 0.000 0.467 64 Q N 6.522 126.265 119.800 -0.095 0.000 3.106 64 Q HA 0.586 4.969 4.340 -0.092 -0.099 0.247 64 Q C -1.672 174.231 176.000 -0.163 0.000 1.033 64 Q CA -2.037 53.689 55.803 -0.128 0.000 0.888 64 Q CB 4.362 32.991 28.738 -0.182 0.000 1.586 64 Q HN 0.559 8.775 8.270 -0.090 0.000 0.482 65 R N -2.380 118.051 120.500 -0.116 0.000 3.321 65 R HA 0.365 4.940 4.340 0.118 -0.164 0.285 65 R C -1.322 175.009 176.300 0.052 0.000 1.149 65 R CA 0.039 56.115 56.100 -0.040 0.000 1.191 65 R CB 2.189 32.318 30.300 -0.284 0.000 1.276 65 R HN 0.574 8.756 8.270 -0.147 0.000 0.429 70 E N -0.402 119.892 120.200 0.157 0.000 2.283 70 E HA 0.129 4.557 4.350 0.130 0.000 0.271 70 E C -1.847 174.931 176.600 0.296 0.000 1.031 70 E CA 0.250 56.759 56.400 0.182 0.000 0.868 70 E CB 1.525 31.272 29.700 0.079 0.000 1.094 70 E HN -0.609 7.825 8.360 0.178 0.033 0.401 71 D N 0.879 121.434 120.400 0.258 0.000 2.957 71 D HA 0.056 4.902 4.640 0.342 0.000 0.175 71 D C -1.081 175.416 176.300 0.328 0.000 1.502 71 D CA 1.040 55.205 54.000 0.276 0.000 1.524 71 D CB 2.463 43.342 40.800 0.132 0.000 1.300 71 D HN 0.092 8.565 8.370 0.172 0.000 0.241 72 N N 1.135 119.937 118.700 0.171 0.000 2.401 72 N HA 0.168 5.132 4.740 0.175 -0.120 0.255 72 N C 2.146 177.669 175.510 0.022 0.000 1.110 72 N CA -0.501 52.621 53.050 0.121 0.000 0.949 72 N CB 0.457 38.989 38.487 0.074 0.000 1.110 72 N HN -0.435 8.302 8.380 0.126 -0.282 0.490 73 I N 0.330 120.830 120.570 -0.117 0.000 3.291 73 I HA -0.093 4.077 4.170 -0.257 -0.154 0.279 73 I C -0.321 175.714 176.117 -0.137 0.000 1.294 73 I CA 1.437 62.564 61.300 -0.287 0.000 1.428 73 I CB -0.612 36.957 38.000 -0.719 0.000 1.070 73 I HN 0.613 8.771 8.210 -0.088 0.000 0.478 74 N N -2.294 116.372 118.700 -0.057 0.000 2.205 74 N HA 0.126 4.850 4.740 -0.027 0.000 0.201 74 N C -0.918 174.600 175.510 0.012 0.000 1.128 74 N CA 0.028 53.068 53.050 -0.018 0.000 0.867 74 N CB 1.930 40.416 38.487 -0.002 0.000 0.996 74 N HN -0.121 8.508 8.380 -0.035 -0.269 0.503 75 V N 0.392 120.319 119.914 0.021 0.000 2.588 75 V HA 0.041 4.178 4.120 0.028 0.000 0.304 75 V C -1.432 174.683 176.094 0.036 0.000 1.042 75 V CA -1.088 61.230 62.300 0.029 0.000 0.877 75 V CB 3.231 35.070 31.823 0.027 0.000 0.996 75 V HN -0.851 7.386 8.190 0.015 -0.038 0.425 76 V N 7.444 127.375 119.914 0.028 0.000 2.408 76 V HA -0.173 4.197 4.120 0.019 -0.239 0.267 76 V C 0.106 176.197 176.094 -0.005 0.000 1.047 76 V CA 0.581 62.883 62.300 0.004 0.000 0.937 76 V CB -0.069 31.734 31.823 -0.034 0.000 0.999 76 V HN 0.272 8.476 8.190 0.024 0.000 0.472 77 E N 7.906 128.105 120.200 -0.001 0.000 2.473 77 E HA 0.137 4.488 4.350 0.001 0.000 0.204 77 E C -0.250 176.344 176.600 -0.011 0.000 0.994 77 E CA -0.451 55.950 56.400 0.002 0.000 0.945 77 E CB 0.831 30.542 29.700 0.019 0.000 0.990 77 E HN 0.311 9.130 8.360 0.003 -0.456 0.493 78 G N 0.107 108.890 108.800 -0.027 0.000 2.576 78 G HA2 -0.224 3.699 3.960 -0.061 0.000 0.686 78 G HA3 -0.224 3.720 3.960 -0.027 0.000 0.686 78 G C -1.666 173.219 174.900 -0.026 0.000 1.242 78 G CA -0.691 44.387 45.100 -0.038 0.000 0.819 78 G HN -0.443 8.083 8.290 -0.035 -0.257 0.655 79 N N -3.829 114.850 118.700 -0.035 0.000 2.980 79 N HA -0.271 4.456 4.740 -0.020 0.000 0.213 79 N C -0.962 174.535 175.510 -0.022 0.000 0.892 79 N CA 1.295 54.334 53.050 -0.018 0.000 1.025 79 N CB -0.249 38.241 38.487 0.006 0.000 1.030 79 N HN 0.155 8.506 8.380 -0.049 0.000 0.585 80 E N -0.923 119.243 120.200 -0.056 0.000 2.373 80 E HA 0.103 4.702 4.350 0.034 -0.229 0.267 80 E C -0.139 176.382 176.600 -0.132 0.000 1.032 80 E CA 0.778 57.139 56.400 -0.065 0.000 0.889 80 E CB 0.425 30.020 29.700 -0.174 0.000 0.984 80 E HN -0.188 8.025 8.360 -0.074 0.102 0.425 81 Q N 2.130 121.924 119.800 -0.010 0.000 2.274 81 Q HA 0.269 4.552 4.340 -0.095 0.000 0.268 81 Q C -1.526 174.607 176.000 0.222 0.000 1.015 81 Q CA -1.194 54.611 55.803 0.004 0.000 0.775 81 Q CB 2.949 31.706 28.738 0.030 0.000 1.256 81 Q HN 0.218 8.551 8.270 0.106 0.000 0.442 82 F N 3.642 123.571 119.950 -0.035 0.000 2.402 82 F HA 0.404 5.071 4.527 -0.051 -0.170 0.355 82 F C -0.244 175.531 175.800 -0.043 0.000 1.123 82 F CA -2.966 55.007 58.000 -0.045 0.000 1.021 82 F CB 0.879 39.851 39.000 -0.047 0.000 1.160 82 F HN 0.382 8.704 8.300 0.036 0.000 0.451 83 I N 4.136 124.780 120.570 0.122 0.000 2.582 83 I HA 0.245 4.442 4.170 0.044 0.000 0.292 83 I C -1.292 174.821 176.117 -0.006 0.000 1.066 83 I CA -1.412 59.912 61.300 0.041 0.000 1.053 83 I CB 4.008 42.017 38.000 0.015 0.000 1.241 83 I HN 0.854 9.122 8.210 0.096 0.000 0.421 84 S N 5.444 121.133 115.700 -0.018 0.000 2.592 84 S HA 0.077 4.517 4.470 -0.049 0.000 0.271 84 S C -0.437 174.127 174.600 -0.060 0.000 1.326 84 S CA 0.759 58.934 58.200 -0.041 0.000 1.024 84 S CB 0.975 64.153 63.200 -0.037 0.000 0.921 84 S HN 0.431 8.736 8.310 -0.008 0.000 0.527 85 A N 3.158 125.939 122.820 -0.065 0.000 2.363 85 A HA 0.192 4.553 4.320 -0.100 -0.101 0.270 85 A C -0.332 177.203 177.584 -0.082 0.000 1.121 85 A CA -0.382 51.608 52.037 -0.080 0.000 0.800 85 A CB 0.710 19.674 19.000 -0.060 0.000 1.052 85 A HN -0.209 7.905 8.150 -0.061 0.000 0.493 86 S N 3.405 119.036 115.700 -0.116 0.000 2.387 86 S HA 0.010 4.437 4.470 -0.073 0.000 0.221 86 S C 0.434 174.993 174.600 -0.068 0.000 1.041 86 S CA 1.434 59.574 58.200 -0.099 0.000 0.959 86 S CB 0.802 63.917 63.200 -0.142 0.000 0.843 86 S HN 0.832 8.921 8.310 -0.165 0.122 0.488 87 K N -0.031 120.321 120.400 -0.081 0.000 2.551 87 K HA 0.289 4.628 4.320 0.032 0.000 0.269 87 K C -2.314 174.313 176.600 0.045 0.000 0.949 87 K CA -0.777 55.511 56.287 0.001 0.000 0.849 87 K CB 3.516 36.026 32.500 0.016 0.000 1.411 87 K HN -0.773 7.389 8.250 -0.146 0.000 0.432 88 S N 1.164 116.949 115.700 0.142 0.000 2.500 88 S HA 0.737 5.489 4.470 0.182 -0.172 0.301 88 S C -0.841 173.891 174.600 0.221 0.000 1.092 88 S CA -0.484 57.845 58.200 0.214 0.000 1.030 88 S CB 2.661 66.060 63.200 0.331 0.000 1.031 88 S HN 0.168 8.576 8.310 0.164 0.000 0.483 89 I N 7.289 127.999 120.570 0.232 0.000 2.437 89 I HA 0.117 4.380 4.170 0.155 0.000 0.279 89 I C -1.567 174.694 176.117 0.240 0.000 1.028 89 I CA -0.820 60.609 61.300 0.214 0.000 1.142 89 I CB 1.433 39.572 38.000 0.231 0.000 1.266 89 I HN 1.046 9.304 8.210 0.258 0.107 0.461 90 V N 7.754 127.743 119.914 0.125 0.000 2.649 90 V HA -0.159 4.011 4.120 0.084 0.000 0.292 90 V C -0.220 175.957 176.094 0.139 0.000 1.055 90 V CA -0.485 61.855 62.300 0.068 0.000 1.023 90 V CB 0.912 32.678 31.823 -0.096 0.000 0.992 90 V HN 0.357 8.575 8.190 0.046 0.000 0.480 91 H N 8.586 127.645 119.070 -0.018 0.000 3.034 91 H HA -0.026 4.380 4.556 -0.250 0.000 0.324 91 H C -0.434 174.873 175.328 -0.035 0.000 1.015 91 H CA 0.389 56.306 56.048 -0.218 0.000 1.429 91 H CB 1.544 31.007 29.762 -0.498 0.000 1.429 91 H HN -0.200 8.121 8.280 0.069 0.000 0.585 92 P HA -0.116 4.309 4.420 0.009 0.000 0.219 92 P C -0.390 176.952 177.300 0.070 0.000 1.146 92 P CA 1.500 64.567 63.100 -0.055 0.000 0.808 92 P CB 0.324 31.970 31.700 -0.090 0.000 0.779 93 S N -3.674 112.167 115.700 0.235 0.000 2.583 93 S HA 0.037 4.567 4.470 0.100 0.000 0.239 93 S C -0.613 174.094 174.600 0.179 0.000 0.966 93 S CA 0.010 58.334 58.200 0.207 0.000 0.973 93 S CB 0.375 63.695 63.200 0.200 0.000 0.794 93 S HN -0.419 8.086 8.310 0.383 0.035 0.463 94 Y N 3.727 124.080 120.300 0.089 0.000 2.526 94 Y HA -0.287 4.431 4.550 -0.030 -0.186 0.330 94 Y C -0.888 175.006 175.900 -0.009 0.000 1.156 94 Y CA 0.732 58.838 58.100 0.010 0.000 1.419 94 Y CB 0.849 39.318 38.460 0.016 0.000 1.250 94 Y HN -0.735 7.660 8.280 0.334 0.085 0.540 95 N N 7.428 125.763 118.700 -0.609 0.000 2.518 95 N HA 0.221 4.680 4.740 -0.468 0.000 0.254 95 N C -0.184 174.813 175.510 -0.856 0.000 0.979 95 N CA -1.314 51.395 53.050 -0.569 0.000 0.930 95 N CB 1.440 39.760 38.487 -0.279 0.000 1.152 95 N HN -0.182 7.954 8.380 -0.406 0.000 0.505 96 S N 6.589 121.771 115.700 -0.863 0.000 2.507 96 S HA -0.137 3.937 4.470 -0.660 0.000 0.235 96 S C 0.729 175.141 174.600 -0.313 0.000 0.988 96 S CA 2.279 60.139 58.200 -0.566 0.000 0.944 96 S CB -0.216 62.831 63.200 -0.256 0.000 0.762 96 S HN 0.644 8.539 8.310 -0.691 0.000 0.526 97 N N 1.841 120.366 118.700 -0.293 0.000 2.336 97 N HA 0.035 4.649 4.740 -0.210 0.000 0.177 97 N C 1.055 176.398 175.510 -0.278 0.000 1.018 97 N CA 2.266 55.176 53.050 -0.233 0.000 0.878 97 N CB 0.663 39.043 38.487 -0.179 0.000 0.997 97 N HN 0.360 8.798 8.380 -0.318 -0.249 0.433 98 T N -3.785 110.600 114.554 -0.281 0.000 3.014 98 T HA 0.053 4.190 4.350 -0.355 0.000 0.250 98 T C 0.233 174.726 174.700 -0.346 0.000 1.060 98 T CA 0.520 62.439 62.100 -0.301 0.000 1.040 98 T CB 1.674 70.423 68.868 -0.198 0.000 0.971 98 T HN -0.333 8.029 8.240 -0.275 -0.286 0.497 99 L N -3.569 117.494 121.223 -0.266 0.000 4.140 99 L HA -0.494 3.945 4.340 0.035 -0.078 0.406 99 L C -1.913 174.985 176.870 0.047 0.000 1.175 99 L CA 0.380 55.174 54.840 -0.077 0.000 0.939 99 L CB -2.654 39.306 42.059 -0.166 0.000 2.105 99 L HN -0.052 7.957 8.230 -0.300 0.041 0.803 100 N N -0.913 117.771 118.700 -0.027 0.000 2.530 100 N HA -0.120 4.668 4.740 0.081 0.000 0.273 100 N C -0.074 175.482 175.510 0.077 0.000 1.173 100 N CA 0.574 53.644 53.050 0.033 0.000 0.967 100 N CB 1.300 39.778 38.487 -0.014 0.000 1.109 100 N HN -0.730 7.538 8.380 -0.123 0.038 0.453 101 N N -0.899 117.843 118.700 0.069 0.000 2.780 101 N HA -0.468 4.217 4.740 -0.093 0.000 0.247 101 N C -1.439 174.054 175.510 -0.028 0.000 1.076 101 N CA 1.369 54.371 53.050 -0.079 0.000 0.688 101 N CB -1.519 36.817 38.487 -0.253 0.000 0.957 101 N HN 0.612 9.054 8.380 0.104 0.000 0.551 102 D N -1.030 119.393 120.400 0.038 0.000 2.551 102 D HA 0.057 4.678 4.640 -0.032 0.000 0.223 102 D C -1.677 174.531 176.300 -0.152 0.000 1.144 102 D CA -0.312 53.700 54.000 0.020 0.000 1.025 102 D CB -0.694 40.220 40.800 0.190 0.000 1.085 102 D HN -0.161 8.245 8.370 0.061 0.000 0.506 103 I N 2.584 123.004 120.570 -0.250 0.000 2.802 103 I HA 0.607 4.873 4.170 -0.129 -0.173 0.298 103 I C -3.060 173.018 176.117 -0.065 0.000 1.176 103 I CA -1.481 59.700 61.300 -0.198 0.000 1.025 103 I CB 4.201 41.948 38.000 -0.422 0.000 1.243 103 I HN -0.055 7.960 8.210 -0.261 0.038 0.424 104 M N 6.268 125.900 119.600 0.054 0.000 2.470 104 M HA 0.694 5.490 4.480 0.243 -0.171 0.285 104 M C -2.779 173.652 176.300 0.218 0.000 1.213 104 M CA -1.039 54.357 55.300 0.159 0.000 0.901 104 M CB 4.838 37.489 32.600 0.085 0.000 1.718 104 M HN 0.491 8.806 8.290 0.042 0.000 0.469 105 L N 2.923 124.314 121.223 0.279 0.000 2.334 105 L HA 0.872 5.537 4.340 0.259 -0.169 0.276 105 L C -1.272 175.792 176.870 0.323 0.000 1.014 105 L CA -1.529 53.488 54.840 0.296 0.000 0.815 105 L CB 3.179 45.389 42.059 0.250 0.000 1.268 105 L HN 0.400 8.819 8.230 0.315 0.000 0.428 106 I N 0.465 121.215 120.570 0.300 0.000 2.465 106 I HA 0.589 4.997 4.170 0.114 -0.170 0.291 106 I C -1.602 174.480 176.117 -0.059 0.000 1.014 106 I CA -1.413 59.961 61.300 0.124 0.000 1.093 106 I CB 3.170 41.206 38.000 0.061 0.000 1.267 106 I HN 0.934 9.342 8.210 0.331 0.000 0.431 107 K N 6.230 126.398 120.400 -0.386 0.000 2.159 107 K HA 0.669 4.325 4.320 -1.360 -0.152 0.266 107 K C -1.108 175.209 176.600 -0.473 0.000 0.975 107 K CA -1.920 53.781 56.287 -0.978 0.000 0.865 107 K CB 3.198 34.955 32.500 -1.239 0.000 1.087 107 K HN 0.752 8.862 8.250 -0.233 0.000 0.446 108 L N 4.044 125.014 121.223 -0.422 0.000 2.399 108 L HA 0.270 4.621 4.340 -0.168 -0.111 0.266 108 L C 1.698 178.449 176.870 -0.198 0.000 1.114 108 L CA -0.304 54.404 54.840 -0.220 0.000 0.804 108 L CB 0.613 42.583 42.059 -0.148 0.000 1.146 108 L HN 0.769 8.665 8.230 -0.557 0.000 0.451 109 K N 2.442 122.766 120.400 -0.126 0.000 2.097 109 K HA -0.299 3.955 4.320 -0.109 0.000 0.206 109 K C -0.349 176.201 176.600 -0.083 0.000 1.049 109 K CA 2.738 58.968 56.287 -0.096 0.000 0.933 109 K CB 0.468 32.930 32.500 -0.063 0.000 0.717 109 K HN 0.513 8.700 8.250 -0.103 0.000 0.442 110 S N -3.189 112.468 115.700 -0.071 0.000 2.627 110 S HA 0.111 4.550 4.470 -0.053 0.000 0.283 110 S C -1.598 172.971 174.600 -0.051 0.000 1.127 110 S CA -0.860 57.310 58.200 -0.051 0.000 0.863 110 S CB 2.803 65.985 63.200 -0.030 0.000 1.121 110 S HN -0.590 7.680 8.310 -0.067 0.000 0.479 111 A N 0.135 122.934 122.820 -0.035 0.000 2.351 111 A HA -0.008 4.436 4.320 -0.033 -0.143 0.257 111 A C -0.602 176.979 177.584 -0.006 0.000 1.087 111 A CA -0.171 51.854 52.037 -0.020 0.000 0.798 111 A CB 0.834 19.832 19.000 -0.003 0.000 1.033 111 A HN 0.144 8.277 8.150 -0.029 0.000 0.488 112 A N 0.542 123.366 122.820 0.006 0.000 2.286 112 A HA 0.251 4.649 4.320 0.011 -0.072 0.286 112 A C -0.652 176.944 177.584 0.019 0.000 1.097 112 A CA -1.437 50.610 52.037 0.016 0.000 0.821 112 A CB 1.624 20.642 19.000 0.030 0.000 1.076 112 A HN 0.378 8.422 8.150 0.010 0.112 0.490 113 S N 0.478 116.188 115.700 0.016 0.000 2.452 113 S HA 0.105 4.584 4.470 0.016 0.000 0.284 113 S C -0.559 174.055 174.600 0.024 0.000 1.171 113 S CA -0.394 57.816 58.200 0.016 0.000 1.064 113 S CB 0.612 63.816 63.200 0.007 0.000 0.967 113 S HN -0.050 8.581 8.310 0.014 -0.312 0.484 114 L N 5.836 127.076 121.223 0.028 0.000 2.357 114 L HA 0.216 4.687 4.340 0.040 -0.107 0.273 114 L C -0.660 176.228 176.870 0.029 0.000 1.080 114 L CA -0.396 54.465 54.840 0.036 0.000 0.803 114 L CB 0.796 42.881 42.059 0.043 0.000 1.174 114 L HN 0.226 8.472 8.230 0.027 0.000 0.443 115 N N 3.126 121.844 118.700 0.032 0.000 3.667 115 N HA 0.228 4.982 4.740 0.024 0.000 0.347 115 N C -1.268 174.261 175.510 0.031 0.000 1.550 115 N CA -0.391 52.675 53.050 0.026 0.000 0.731 115 N CB 0.647 39.145 38.487 0.019 0.000 2.741 115 N HN 0.495 8.898 8.380 0.038 0.000 0.555 116 S N -1.772 113.944 115.700 0.026 0.000 2.421 116 S HA -0.046 4.445 4.470 0.035 0.000 0.224 116 S C 0.725 175.342 174.600 0.029 0.000 1.035 116 S CA 1.639 59.857 58.200 0.029 0.000 0.953 116 S CB 0.585 63.799 63.200 0.022 0.000 0.810 116 S HN 0.005 8.328 8.310 0.021 0.000 0.497 117 R N -0.075 120.439 120.500 0.024 0.000 2.153 117 R HA -0.085 4.264 4.340 0.015 0.000 0.218 117 R C -1.315 175.001 176.300 0.027 0.000 1.072 117 R CA 1.056 57.168 56.100 0.020 0.000 0.990 117 R CB 0.649 30.960 30.300 0.018 0.000 0.889 117 R HN -0.038 8.453 8.270 0.021 -0.208 0.452 118 V N -2.457 117.479 119.914 0.036 0.000 2.483 118 V HA 0.251 4.590 4.120 0.050 -0.190 0.297 118 V C -2.133 173.999 176.094 0.063 0.000 1.027 118 V CA -1.119 61.211 62.300 0.049 0.000 0.855 118 V CB 2.975 34.826 31.823 0.046 0.000 0.995 118 V HN -0.395 8.052 8.190 0.034 -0.236 0.424 119 A N 6.149 129.024 122.820 0.091 0.000 2.587 119 A HA 0.475 4.845 4.320 0.084 0.000 0.293 119 A C -2.908 174.766 177.584 0.150 0.000 1.087 119 A CA -0.847 51.254 52.037 0.106 0.000 0.692 119 A CB 3.258 22.323 19.000 0.108 0.000 1.291 119 A HN 0.153 8.254 8.150 0.101 0.109 0.407 120 S N -1.555 114.218 115.700 0.122 0.000 2.672 120 S HA 0.536 5.229 4.470 0.162 -0.125 0.276 120 S C -0.679 173.971 174.600 0.083 0.000 1.207 120 S CA -1.051 57.222 58.200 0.122 0.000 1.002 120 S CB 1.697 64.949 63.200 0.088 0.000 0.998 120 S HN -0.010 8.356 8.310 0.094 0.000 0.542 121 I N 0.407 120.981 120.570 0.007 0.000 2.648 121 I HA 0.234 4.329 4.170 -0.126 0.000 0.304 121 I C -1.089 174.976 176.117 -0.087 0.000 1.009 121 I CA -1.602 59.605 61.300 -0.155 0.000 1.114 121 I CB 3.980 41.660 38.000 -0.534 0.000 1.293 121 I HN 0.235 8.466 8.210 0.035 0.000 0.449 122 S N 5.495 121.141 115.700 -0.089 0.000 2.584 122 S HA 0.230 4.683 4.470 -0.029 0.000 0.273 122 S C -0.710 173.861 174.600 -0.048 0.000 1.311 122 S CA -0.255 57.915 58.200 -0.050 0.000 1.034 122 S CB 0.862 64.038 63.200 -0.040 0.000 0.939 122 S HN 0.204 8.446 8.310 -0.114 0.000 0.513 123 L N 2.586 123.796 121.223 -0.022 0.000 2.399 123 L HA 0.181 4.520 4.340 -0.001 0.000 0.266 123 L C -1.228 175.639 176.870 -0.006 0.000 1.114 123 L CA -1.985 52.853 54.840 -0.003 0.000 0.804 123 L CB 0.264 42.330 42.059 0.011 0.000 1.146 123 L HN 0.213 8.433 8.230 -0.017 0.000 0.451 124 P HA 0.124 4.534 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 -0.700 62.397 63.100 -0.005 0.000 0.802 124 P CB 0.743 32.440 31.700 -0.005 0.000 1.035 128 c N 0.483 119.059 118.600 -0.040 0.000 2.500 128 c HA 0.082 4.615 4.570 -0.062 0.000 0.367 128 c C -0.030 174.001 174.090 -0.098 0.000 1.283 128 c CA -0.675 55.615 56.329 -0.065 0.000 2.456 128 c CB 0.461 42.939 42.510 -0.054 0.000 2.457 128 c HN -0.039 8.171 8.230 -0.034 0.000 0.632 129 A N 0.709 123.433 122.820 -0.160 0.000 2.279 129 A HA 0.109 4.356 4.320 -0.121 0.000 0.303 129 A C -0.938 176.544 177.584 -0.171 0.000 1.108 129 A CA -0.441 51.494 52.037 -0.170 0.000 0.830 129 A CB 1.339 20.202 19.000 -0.228 0.000 1.106 129 A HN 0.218 8.243 8.150 -0.208 0.000 0.493 133 G N 1.645 110.408 108.800 -0.061 0.000 2.253 133 G HA2 -0.320 3.609 3.960 -0.051 0.000 0.251 133 G HA3 -0.320 3.614 3.960 -0.042 0.000 0.251 133 G C 0.279 175.143 174.900 -0.061 0.000 0.998 133 G CA 0.018 45.086 45.100 -0.053 0.000 0.621 133 G HN 0.801 8.944 8.290 -0.062 0.109 0.524 134 T N 4.022 118.529 114.554 -0.080 0.000 2.928 134 T HA -0.164 4.149 4.350 -0.061 0.000 0.305 134 T C -0.834 173.822 174.700 -0.073 0.000 1.035 134 T CA 2.340 64.392 62.100 -0.079 0.000 1.145 134 T CB 0.450 69.252 68.868 -0.110 0.000 0.963 134 T HN -0.406 7.693 8.240 -0.093 0.084 0.545 135 Q N 4.656 124.427 119.800 -0.049 0.000 2.256 135 Q HA 0.128 4.554 4.340 -0.042 -0.112 0.254 135 Q C -0.996 174.986 176.000 -0.030 0.000 0.916 135 Q CA 0.081 55.865 55.803 -0.031 0.000 0.932 135 Q CB 1.402 30.138 28.738 -0.004 0.000 1.207 135 Q HN 0.266 8.511 8.270 -0.041 0.000 0.426 136 c N 1.370 119.953 118.600 -0.028 0.000 3.044 136 c HA 0.653 5.318 4.570 -0.018 -0.106 0.315 136 c C -1.844 172.249 174.090 0.006 0.000 1.320 136 c CA -1.306 55.009 56.329 -0.024 0.000 1.582 136 c CB 4.360 46.837 42.510 -0.055 0.000 2.039 136 c HN 0.788 8.890 8.230 -0.030 0.110 0.466 137 L N 0.815 122.049 121.223 0.018 0.000 2.333 137 L HA 0.948 5.510 4.340 0.045 -0.195 0.280 137 L C -2.184 174.696 176.870 0.017 0.000 1.004 137 L CA -1.421 53.442 54.840 0.039 0.000 0.820 137 L CB 3.314 45.419 42.059 0.077 0.000 1.247 137 L HN 0.737 8.866 8.230 0.014 0.109 0.416 138 I N 7.471 128.034 120.570 -0.011 0.000 2.474 138 I HA 0.853 5.249 4.170 -0.005 -0.229 0.294 138 I C -1.313 174.766 176.117 -0.064 0.000 1.005 138 I CA -1.502 59.783 61.300 -0.024 0.000 1.113 138 I CB 2.500 40.483 38.000 -0.030 0.000 1.289 138 I HN 0.882 9.087 8.210 -0.007 0.000 0.436 139 S N 2.562 118.219 115.700 -0.073 0.000 2.618 139 S HA 1.003 5.489 4.470 -0.233 -0.156 0.277 139 S C -1.148 173.328 174.600 -0.206 0.000 1.138 139 S CA -1.777 56.306 58.200 -0.194 0.000 0.844 139 S CB 3.730 66.781 63.200 -0.248 0.000 1.127 139 S HN -0.208 8.089 8.310 -0.021 0.000 0.474 140 G N -1.196 107.383 108.800 -0.367 0.000 2.321 140 G HA2 0.110 3.789 3.960 -0.468 0.000 0.298 140 G HA3 0.110 4.146 3.960 -0.076 -0.122 0.298 140 G C -2.171 172.493 174.900 -0.394 0.000 1.385 140 G CA 0.466 45.363 45.100 -0.337 0.000 0.856 140 G HN 0.378 8.392 8.290 -0.459 0.000 0.584 141 W N 1.199 122.445 121.300 -0.089 0.000 3.015 141 W HA 0.345 4.952 4.660 -0.087 0.000 0.429 141 W C -0.232 176.327 176.519 0.067 0.000 0.976 141 W CA -0.982 56.278 57.345 -0.140 0.000 2.086 141 W CB -0.073 29.084 29.460 -0.505 0.000 1.125 141 W HN 0.576 8.914 8.180 0.263 0.000 0.721 142 G N 0.802 109.774 108.800 0.287 0.000 2.580 142 G HA2 -0.030 4.278 3.960 0.554 0.000 0.278 142 G HA3 -0.030 4.258 3.960 0.268 -0.167 0.278 142 G C -0.891 174.105 174.900 0.161 0.000 1.212 142 G CA -0.850 44.454 45.100 0.339 0.000 0.939 142 G HN -0.442 8.109 8.290 0.172 -0.158 0.513 143 N N -0.219 118.479 118.700 -0.003 0.000 2.294 143 N HA -0.320 4.169 4.740 -0.708 -0.174 0.248 143 N C 0.858 176.282 175.510 -0.144 0.000 1.242 143 N CA 1.261 54.101 53.050 -0.349 0.000 0.848 143 N CB 0.583 38.861 38.487 -0.348 0.000 1.084 143 N HN 0.062 8.541 8.380 0.164 0.000 0.457 144 T N -0.032 114.428 114.554 -0.156 0.000 3.054 144 T HA 0.199 4.651 4.350 -0.050 -0.132 0.255 144 T C 0.232 174.893 174.700 -0.065 0.000 1.035 144 T CA 0.494 62.549 62.100 -0.075 0.000 0.941 144 T CB 1.566 70.403 68.868 -0.052 0.000 1.026 144 T HN 0.315 8.415 8.240 -0.233 0.000 0.533 145 K N 2.420 122.766 120.400 -0.089 0.000 2.207 145 K HA 0.280 4.578 4.320 -0.037 0.000 0.255 145 K C -0.556 176.020 176.600 -0.041 0.000 0.941 145 K CA -1.195 55.058 56.287 -0.056 0.000 0.825 145 K CB 2.461 34.926 32.500 -0.058 0.000 1.119 145 K HN -0.335 8.140 8.250 -0.142 -0.311 0.430 146 S N 0.317 116.007 115.700 -0.017 0.000 2.478 146 S HA -0.085 4.386 4.470 0.003 0.000 0.222 146 S C 0.253 174.854 174.600 0.002 0.000 1.008 146 S CA 1.419 59.619 58.200 -0.000 0.000 0.928 146 S CB 0.811 64.016 63.200 0.009 0.000 0.781 146 S HN 0.170 8.472 8.310 -0.015 0.000 0.518 147 S N 1.794 117.492 115.700 -0.004 0.000 2.269 147 S HA 0.187 4.661 4.470 0.007 0.000 0.194 147 S C -0.945 173.652 174.600 -0.005 0.000 1.547 147 S CA -0.199 58.002 58.200 0.001 0.000 1.186 147 S CB -0.233 62.970 63.200 0.004 0.000 1.069 147 S HN -0.435 7.837 8.310 -0.009 0.032 0.473 148 G N 1.191 109.986 108.800 -0.007 0.000 2.354 148 G HA2 -0.177 3.786 3.960 0.004 0.000 0.582 148 G HA3 -0.177 3.777 3.960 -0.010 0.000 0.582 148 G C -2.647 172.229 174.900 -0.040 0.000 1.316 148 G CA -0.747 44.347 45.100 -0.010 0.000 0.995 148 G HN -0.321 7.967 8.290 -0.004 0.000 0.573 149 T N -3.620 110.911 114.554 -0.038 0.000 2.786 149 T HA 0.106 4.471 4.350 -0.232 -0.154 0.283 149 T C -1.338 173.280 174.700 -0.138 0.000 0.992 149 T CA -1.360 60.669 62.100 -0.119 0.000 0.954 149 T CB 1.671 70.563 68.868 0.039 0.000 0.934 149 T HN -0.154 8.083 8.240 -0.005 0.000 0.440 150 S N 4.675 120.203 115.700 -0.286 0.000 2.776 150 S HA 0.230 4.690 4.470 -0.017 0.000 0.284 150 S C -2.121 172.332 174.600 -0.245 0.000 1.160 150 S CA -0.593 57.527 58.200 -0.133 0.000 1.051 150 S CB 1.148 64.305 63.200 -0.072 0.000 1.037 150 S HN 0.555 8.973 8.310 -0.448 -0.376 0.485 151 Y N 5.609 125.948 120.300 0.066 0.000 2.342 151 Y HA 0.224 4.831 4.550 0.095 0.000 0.334 151 Y C -0.932 175.016 175.900 0.082 0.000 1.067 151 Y CA -2.706 55.446 58.100 0.087 0.000 1.128 151 Y CB 1.186 39.708 38.460 0.104 0.000 1.200 151 Y HN 0.098 8.522 8.280 0.241 0.000 0.464 152 P HA 0.302 4.803 4.420 0.135 0.000 0.280 152 P C -1.640 175.791 177.300 0.218 0.000 1.272 152 P CA -1.173 62.033 63.100 0.178 0.000 0.819 152 P CB 2.037 33.814 31.700 0.128 0.000 1.122 153 D N -2.549 117.955 120.400 0.172 0.000 2.259 153 D HA -0.034 4.672 4.640 0.110 0.000 0.216 153 D C -0.677 175.779 176.300 0.260 0.000 0.961 153 D CA 1.848 55.938 54.000 0.152 0.000 0.878 153 D CB 0.841 41.698 40.800 0.095 0.000 1.009 153 D HN 0.395 8.847 8.370 0.136 0.000 0.490 154 V N -7.592 112.466 119.914 0.241 0.000 2.966 154 V HA 0.685 5.233 4.120 0.420 -0.176 0.317 154 V C -0.685 175.459 176.094 0.083 0.000 1.070 154 V CA -2.789 59.665 62.300 0.257 0.000 1.008 154 V CB 2.023 33.914 31.823 0.112 0.000 1.070 154 V HN -0.922 7.367 8.190 0.164 0.000 0.457 155 L N 1.536 122.674 121.223 -0.142 0.000 2.455 155 L HA -0.031 3.487 4.340 -1.371 0.000 0.272 155 L C -0.360 176.244 176.870 -0.443 0.000 1.174 155 L CA 0.717 55.120 54.840 -0.729 0.000 0.869 155 L CB 0.577 42.192 42.059 -0.740 0.000 1.130 155 L HN -0.126 8.323 8.230 0.067 -0.179 0.474 156 K N 5.767 125.882 120.400 -0.475 0.000 2.156 156 K HA 0.674 4.945 4.320 -0.332 -0.150 0.250 156 K C -1.138 175.202 176.600 -0.432 0.000 0.955 156 K CA -2.507 53.564 56.287 -0.361 0.000 0.855 156 K CB 2.470 34.825 32.500 -0.241 0.000 1.101 156 K HN -0.179 7.709 8.250 -0.603 0.000 0.434 157 c N -0.995 117.256 118.600 -0.582 0.000 2.707 157 c HA 0.975 5.478 4.570 -0.405 -0.176 0.313 157 c C -1.798 171.923 174.090 -0.614 0.000 1.209 157 c CA -0.703 55.228 56.329 -0.662 0.000 1.635 157 c CB 3.641 45.598 42.510 -0.922 0.000 2.206 157 c HN 0.743 8.572 8.230 -0.668 0.000 0.485 158 L N 0.141 121.211 121.223 -0.254 0.000 2.513 158 L HA 0.377 4.761 4.340 0.073 0.000 0.261 158 L C -2.498 174.434 176.870 0.104 0.000 0.945 158 L CA 0.118 54.956 54.840 -0.003 0.000 0.848 158 L CB 4.529 46.608 42.059 0.033 0.000 1.334 158 L HN 0.770 8.886 8.230 -0.191 0.000 0.407 159 K N 5.562 126.089 120.400 0.212 0.000 2.213 159 K HA 0.789 5.375 4.320 0.122 -0.193 0.270 159 K C -1.046 175.678 176.600 0.206 0.000 1.002 159 K CA -1.378 55.017 56.287 0.179 0.000 0.868 159 K CB 1.088 33.701 32.500 0.189 0.000 1.093 159 K HN 0.335 8.747 8.250 0.270 0.000 0.454 160 A N 4.409 127.281 122.820 0.087 0.000 2.515 160 A HA 0.662 4.951 4.320 -0.051 0.000 0.298 160 A C -3.373 174.137 177.584 -0.124 0.000 1.059 160 A CA -2.704 49.309 52.037 -0.040 0.000 0.698 160 A CB 3.141 22.121 19.000 -0.032 0.000 1.289 160 A HN 1.005 9.073 8.150 0.041 0.107 0.404 161 P HA 0.720 5.287 4.420 -0.101 -0.208 0.284 161 P C -1.056 176.175 177.300 -0.114 0.000 1.258 161 P CA -1.427 61.584 63.100 -0.148 0.000 0.824 161 P CB 1.570 33.182 31.700 -0.147 0.000 1.038 162 I N 0.213 120.733 120.570 -0.084 0.000 2.529 162 I HA -0.033 4.295 4.170 0.075 -0.113 0.284 162 I C 0.089 176.194 176.117 -0.020 0.000 1.082 162 I CA 0.451 61.730 61.300 -0.035 0.000 1.406 162 I CB 0.314 38.208 38.000 -0.177 0.000 1.405 162 I HN 0.117 8.267 8.210 -0.099 0.000 0.548 163 L N 6.726 127.974 121.223 0.043 0.000 2.431 163 L HA 0.230 4.564 4.340 -0.011 0.000 0.260 163 L C -0.291 176.598 176.870 0.033 0.000 1.098 163 L CA -0.883 53.971 54.840 0.023 0.000 0.800 163 L CB 0.751 42.833 42.059 0.039 0.000 1.210 163 L HN 0.441 8.631 8.230 0.123 0.115 0.465 164 S N -1.107 114.605 115.700 0.019 0.000 2.593 164 S HA -0.004 4.473 4.470 0.012 0.000 0.269 164 S C 0.421 175.046 174.600 0.042 0.000 1.334 164 S CA -0.593 57.619 58.200 0.020 0.000 1.015 164 S CB 1.418 64.624 63.200 0.010 0.000 0.912 164 S HN -0.036 8.280 8.310 0.011 0.000 0.541 165 D N 1.978 122.404 120.400 0.043 0.000 2.182 165 D HA -0.243 4.446 4.640 0.082 0.000 0.201 165 D C 1.497 177.828 176.300 0.053 0.000 0.986 165 D CA 3.613 57.648 54.000 0.059 0.000 0.847 165 D CB -0.443 40.387 40.800 0.051 0.000 0.942 165 D HN 0.607 8.994 8.370 0.029 0.000 0.467 166 S N -1.371 114.350 115.700 0.036 0.000 2.368 166 S HA -0.264 4.226 4.470 0.034 0.000 0.224 166 S C 2.097 176.713 174.600 0.028 0.000 1.029 166 S CA 3.212 61.430 58.200 0.030 0.000 0.988 166 S CB -0.746 62.465 63.200 0.019 0.000 0.838 166 S HN 0.004 8.315 8.310 0.029 0.016 0.462 167 S N 3.898 119.613 115.700 0.025 0.000 2.383 167 S HA -0.245 4.228 4.470 0.005 0.000 0.227 167 S C 1.834 176.447 174.600 0.023 0.000 1.026 167 S CA 4.147 62.356 58.200 0.015 0.000 0.981 167 S CB -0.115 63.092 63.200 0.011 0.000 0.818 167 S HN -0.474 7.852 8.310 0.025 0.000 0.472 168 c N 3.376 122.009 118.600 0.056 0.000 2.436 168 c HA -0.319 4.311 4.570 0.099 0.000 0.277 168 c C 1.673 175.834 174.090 0.119 0.000 1.241 168 c CA 2.783 59.173 56.329 0.101 0.000 1.721 168 c CB -1.659 40.926 42.510 0.125 0.000 2.043 168 c HN -0.028 8.227 8.230 0.058 0.010 0.472 169 K N -1.242 119.218 120.400 0.100 0.000 2.211 169 K HA -0.309 4.101 4.320 0.151 0.000 0.203 169 K C 2.387 179.027 176.600 0.067 0.000 1.050 169 K CA 2.811 59.160 56.287 0.103 0.000 0.945 169 K CB -0.323 32.225 32.500 0.080 0.000 0.732 169 K HN 0.022 8.323 8.250 0.084 0.000 0.451 170 S N -1.236 114.482 115.700 0.029 0.000 2.406 170 S HA -0.193 4.282 4.470 0.008 0.000 0.228 170 S C 1.301 175.872 174.600 -0.049 0.000 1.020 170 S CA 2.582 60.780 58.200 -0.002 0.000 0.965 170 S CB 0.019 63.213 63.200 -0.009 0.000 0.798 170 S HN -0.492 7.718 8.310 0.031 0.118 0.488 171 A N -0.075 122.684 122.820 -0.101 0.000 1.930 171 A HA -0.075 4.086 4.320 -0.266 0.000 0.215 171 A C -0.202 177.104 177.584 -0.463 0.000 1.176 171 A CA 1.972 53.815 52.037 -0.324 0.000 0.632 171 A CB 0.968 19.695 19.000 -0.456 0.000 0.819 171 A HN -0.594 7.406 8.150 -0.053 0.118 0.445 172 Y N -5.616 114.720 120.300 0.060 0.000 2.495 172 Y HA 0.492 5.115 4.550 0.123 0.000 0.362 172 Y C -2.408 173.554 175.900 0.103 0.000 0.956 172 Y CA -3.796 54.374 58.100 0.116 0.000 1.127 172 Y CB -0.288 38.283 38.460 0.185 0.000 1.173 172 Y HN -0.456 7.849 8.280 0.042 0.000 0.639 173 P HA -0.070 4.540 4.420 0.108 -0.125 0.264 173 P C 0.883 178.252 177.300 0.116 0.000 1.193 173 P CA 1.057 64.224 63.100 0.112 0.000 0.763 173 P CB 0.122 31.860 31.700 0.064 0.000 0.810 174 G N 4.091 112.949 108.800 0.097 0.000 2.189 174 G HA2 -0.366 3.628 3.960 0.057 0.000 0.267 174 G HA3 -0.366 3.626 3.960 0.054 0.000 0.267 174 G C 0.156 175.104 174.900 0.079 0.000 0.975 174 G CA 0.601 45.743 45.100 0.071 0.000 0.644 174 G HN 0.518 8.864 8.290 0.093 0.000 0.537 175 Q N -2.077 117.808 119.800 0.141 0.000 2.217 175 Q HA 0.092 4.455 4.340 0.039 0.000 0.217 175 Q C -0.533 175.591 176.000 0.206 0.000 0.844 175 Q CA -0.418 55.466 55.803 0.134 0.000 0.957 175 Q CB 1.452 30.294 28.738 0.173 0.000 1.127 175 Q HN -0.294 8.020 8.270 0.190 0.070 0.503 176 I N 0.482 121.174 120.570 0.203 0.000 2.315 176 I HA 0.045 4.360 4.170 0.242 0.000 0.291 176 I C -0.348 175.844 176.117 0.126 0.000 1.006 176 I CA -2.240 59.175 61.300 0.190 0.000 1.265 176 I CB -1.008 37.098 38.000 0.177 0.000 1.387 176 I HN -0.486 7.833 8.210 0.182 0.000 0.475 177 T N 2.646 117.271 114.554 0.118 0.000 2.893 177 T HA 0.367 4.755 4.350 0.064 0.000 0.279 177 T C 0.764 175.514 174.700 0.082 0.000 0.991 177 T CA -2.029 60.119 62.100 0.080 0.000 0.950 177 T CB 2.249 71.154 68.868 0.063 0.000 1.223 177 T HN -0.416 7.911 8.240 0.146 0.000 0.585 178 S N -2.562 113.171 115.700 0.056 0.000 2.607 178 S HA -0.167 4.343 4.470 0.066 0.000 0.224 178 S C -0.043 174.597 174.600 0.067 0.000 0.969 178 S CA 1.549 59.781 58.200 0.053 0.000 0.927 178 S CB -0.143 63.069 63.200 0.020 0.000 0.772 178 S HN 0.227 8.560 8.310 0.039 0.000 0.533 179 N N 0.404 119.157 118.700 0.088 0.000 2.273 179 N HA 0.146 4.956 4.740 0.116 0.000 0.231 179 N C -1.839 173.789 175.510 0.196 0.000 1.134 179 N CA -0.445 52.689 53.050 0.141 0.000 0.856 179 N CB 0.841 39.431 38.487 0.173 0.000 1.068 179 N HN -0.516 7.833 8.380 0.084 0.082 0.510 180 M N -1.208 118.494 119.600 0.169 0.000 2.593 180 M HA 0.847 5.595 4.480 0.086 -0.217 0.290 180 M C -2.402 174.011 176.300 0.188 0.000 1.244 180 M CA -0.414 54.962 55.300 0.126 0.000 0.857 180 M CB 5.257 37.913 32.600 0.094 0.000 1.738 180 M HN -0.829 7.459 8.290 0.153 0.093 0.461 181 F N -6.396 113.600 119.950 0.076 0.000 2.686 181 F HA 0.609 5.170 4.527 0.058 0.000 0.311 181 F C -2.858 172.997 175.800 0.091 0.000 1.128 181 F CA -1.544 56.500 58.000 0.074 0.000 0.946 181 F CB 2.281 41.323 39.000 0.071 0.000 1.336 181 F HN 0.019 8.170 8.300 -0.249 0.000 0.457 182 c N -0.342 118.438 118.600 0.301 0.000 2.435 182 c HA 0.992 5.808 4.570 0.084 -0.196 0.333 182 c C -1.110 173.194 174.090 0.357 0.000 1.202 182 c CA -1.102 55.351 56.329 0.206 0.000 1.830 182 c CB 2.976 45.568 42.510 0.136 0.000 2.326 182 c HN 0.893 9.336 8.230 0.354 0.000 0.507 183 A N 2.591 125.604 122.820 0.321 0.000 2.476 183 A HA 0.706 5.249 4.320 0.109 -0.156 0.280 183 A C -2.244 175.396 177.584 0.095 0.000 1.081 183 A CA -0.537 51.604 52.037 0.174 0.000 0.753 183 A CB 2.794 21.820 19.000 0.042 0.000 1.248 183 A HN 0.388 8.755 8.150 0.362 0.000 0.424 184 Y N 2.990 123.323 120.300 0.055 0.000 2.404 184 Y HA 0.082 4.652 4.550 0.033 0.000 0.344 184 Y C 1.021 176.937 175.900 0.026 0.000 0.995 184 Y CA -0.193 57.929 58.100 0.036 0.000 1.201 184 Y CB 0.380 38.860 38.460 0.032 0.000 1.151 184 Y HN 0.258 8.663 8.280 0.209 0.000 0.517 185 L N 4.026 125.322 121.223 0.122 0.000 2.362 185 L HA -0.321 4.048 4.340 0.049 0.000 0.219 185 L C 1.047 177.961 176.870 0.073 0.000 1.134 185 L CA 2.188 57.069 54.840 0.068 0.000 0.807 185 L CB -0.451 41.627 42.059 0.033 0.000 0.927 185 L HN 0.526 8.813 8.230 0.095 0.000 0.447 186 E N -2.243 118.019 120.200 0.104 0.000 2.427 186 E HA -0.111 4.266 4.350 0.045 0.000 0.196 186 E C 0.795 177.428 176.600 0.055 0.000 1.028 186 E CA 0.183 56.622 56.400 0.065 0.000 0.864 186 E CB -0.415 29.318 29.700 0.056 0.000 0.813 186 E HN 0.072 8.483 8.360 0.155 0.041 0.514 187 G N 0.898 109.748 108.800 0.083 0.000 3.405 187 G HA2 -0.380 3.657 3.960 0.083 0.000 0.676 187 G HA3 -0.380 3.630 3.960 0.042 -0.025 0.676 187 G C -0.751 174.169 174.900 0.034 0.000 1.039 187 G CA -0.185 44.953 45.100 0.063 0.000 0.855 187 G HN -0.521 7.680 8.290 0.130 0.167 0.443 188 K N 1.574 121.966 120.400 -0.013 0.000 6.706 188 K HA -0.606 3.960 4.320 0.004 -0.243 0.669 188 K C -1.277 175.416 176.600 0.155 0.000 2.465 188 K CA 0.611 56.905 56.287 0.012 0.000 1.801 188 K CB -0.128 32.272 32.500 -0.167 0.000 1.883 188 K HN 0.166 8.425 8.250 0.015 0.000 0.285 189 D N 0.477 120.953 120.400 0.127 0.000 2.769 189 D HA 0.294 5.058 4.640 0.206 0.000 0.309 189 D C -1.969 174.401 176.300 0.116 0.000 1.315 189 D CA -0.575 53.516 54.000 0.152 0.000 0.780 189 D CB 4.423 45.297 40.800 0.124 0.000 1.312 189 D HN 0.324 8.743 8.370 0.081 0.000 0.437 190 S N -1.774 114.010 115.700 0.140 0.000 2.730 190 S HA 0.443 5.038 4.470 0.092 -0.071 0.284 190 S C -1.390 173.265 174.600 0.090 0.000 1.153 190 S CA -0.789 57.485 58.200 0.124 0.000 0.995 190 S CB 1.955 65.276 63.200 0.201 0.000 1.058 190 S HN 0.283 8.697 8.310 0.173 0.000 0.552 191 c N -1.761 116.894 118.600 0.091 0.000 3.293 191 c HA 0.257 4.871 4.570 0.074 0.000 0.362 191 c C -1.551 172.619 174.090 0.133 0.000 1.539 191 c CA -0.514 55.867 56.329 0.086 0.000 1.201 191 c CB 2.856 45.398 42.510 0.054 0.000 1.770 191 c HN 0.285 8.858 8.230 0.107 -0.279 0.440 192 Q N 1.862 121.751 119.800 0.148 0.000 2.283 192 Q HA -0.372 4.098 4.340 0.218 0.000 0.301 192 Q C 1.008 177.191 176.000 0.306 0.000 1.063 192 Q CA 2.034 57.969 55.803 0.219 0.000 0.952 192 Q CB 0.495 29.364 28.738 0.219 0.000 1.166 192 Q HN 0.481 8.820 8.270 0.115 0.000 0.381 193 G N 6.624 115.614 108.800 0.316 0.000 2.284 193 G HA2 -0.429 3.730 3.960 0.332 0.000 0.216 193 G HA3 -0.429 3.852 3.960 0.536 0.000 0.216 193 G C 0.649 175.781 174.900 0.388 0.000 1.009 193 G CA 0.943 46.284 45.100 0.402 0.000 0.625 193 G HN 0.506 8.961 8.290 0.274 0.000 0.501 194 D N 2.620 123.185 120.400 0.276 0.000 2.305 194 D HA 0.023 4.806 4.640 0.238 0.000 0.206 194 D C 0.202 176.608 176.300 0.177 0.000 0.974 194 D CA 1.142 55.269 54.000 0.213 0.000 0.871 194 D CB 0.437 41.328 40.800 0.151 0.000 0.947 194 D HN 0.002 8.416 8.370 0.248 0.105 0.516 195 S N -0.465 115.339 115.700 0.174 0.000 2.715 195 S HA -0.584 4.112 4.470 0.157 -0.132 0.318 195 S C 0.888 175.509 174.600 0.036 0.000 1.242 195 S CA 2.557 60.837 58.200 0.133 0.000 1.044 195 S CB -0.457 62.849 63.200 0.176 0.000 0.760 195 S HN -0.600 7.871 8.310 0.205 -0.039 0.501 196 G N 4.906 113.712 108.800 0.010 0.000 2.253 196 G HA2 -0.467 3.539 3.960 -0.036 0.000 0.251 196 G HA3 -0.467 3.549 3.960 -0.064 -0.095 0.251 196 G C -0.115 174.816 174.900 0.051 0.000 0.998 196 G CA 0.244 45.334 45.100 -0.017 0.000 0.621 196 G HN 0.744 8.958 8.290 0.049 0.106 0.524 197 G N 0.606 109.462 108.800 0.093 0.000 2.543 197 G HA2 0.460 4.557 3.960 0.116 0.000 0.290 197 G HA3 0.460 4.492 3.960 0.119 0.000 0.290 197 G C -2.806 172.170 174.900 0.127 0.000 1.310 197 G CA -2.073 43.096 45.100 0.116 0.000 1.025 197 G HN -0.071 8.197 8.290 0.104 0.085 0.502 198 P HA 0.405 5.024 4.420 0.119 -0.128 0.284 198 P C -1.607 175.747 177.300 0.091 0.000 1.258 198 P CA -1.011 62.172 63.100 0.138 0.000 0.824 198 P CB 1.660 33.502 31.700 0.236 0.000 1.038 199 V N 2.085 122.033 119.914 0.058 0.000 2.419 199 V HA 0.259 4.522 4.120 -0.029 -0.160 0.287 199 V C -1.319 174.783 176.094 0.013 0.000 1.017 199 V CA -0.383 61.914 62.300 -0.005 0.000 0.844 199 V CB 1.793 33.585 31.823 -0.052 0.000 1.011 199 V HN -0.208 8.024 8.190 0.070 0.000 0.429 200 V N 8.018 127.932 119.914 0.000 0.000 2.459 200 V HA 0.663 4.939 4.120 -0.066 -0.196 0.295 200 V C -1.353 174.722 176.094 -0.031 0.000 1.029 200 V CA -1.293 60.982 62.300 -0.042 0.000 0.874 200 V CB 2.994 34.776 31.823 -0.069 0.000 0.985 200 V HN 0.545 8.747 8.190 0.021 0.000 0.438 201 c N 7.459 126.028 118.600 -0.051 0.000 2.431 201 c HA 0.571 5.119 4.570 -0.036 0.000 0.321 201 c C 0.124 174.185 174.090 -0.049 0.000 1.202 201 c CA -1.211 55.087 56.329 -0.052 0.000 1.398 201 c CB 2.053 44.513 42.510 -0.082 0.000 2.047 201 c HN 0.764 8.956 8.230 -0.063 0.000 0.465 202 S N 5.497 121.177 115.700 -0.034 0.000 3.549 202 S HA -0.342 4.117 4.470 -0.017 0.000 0.366 202 S C 0.333 174.913 174.600 -0.033 0.000 1.012 202 S CA 0.967 59.150 58.200 -0.028 0.000 1.141 202 S CB -1.266 61.913 63.200 -0.034 0.000 0.910 202 S HN 1.126 9.421 8.310 -0.025 0.000 0.471 203 G N -5.072 103.707 108.800 -0.036 0.000 2.168 203 G HA2 -0.361 3.563 3.960 -0.060 0.000 0.257 203 G HA3 -0.361 3.578 3.960 -0.035 0.000 0.257 203 G C -0.769 174.079 174.900 -0.088 0.000 0.997 203 G CA 0.527 45.595 45.100 -0.054 0.000 0.708 203 G HN 0.315 8.579 8.290 -0.026 0.010 0.520 210 Q N 1.239 121.060 119.800 0.035 0.000 2.392 210 Q HA 0.207 4.588 4.340 0.069 0.000 0.219 210 Q C -0.230 175.936 176.000 0.278 0.000 0.895 210 Q CA 0.150 56.001 55.803 0.080 0.000 0.929 210 Q CB 2.796 31.504 28.738 -0.050 0.000 1.077 210 Q HN 0.478 8.759 8.270 0.018 0.000 0.532 211 G N -2.951 106.021 108.800 0.287 0.000 2.694 211 G HA2 0.632 5.070 3.960 0.383 0.000 0.290 211 G HA3 0.632 4.832 3.960 0.401 0.000 0.290 211 G C -3.249 171.758 174.900 0.178 0.000 1.386 211 G CA -0.760 44.539 45.100 0.332 0.000 0.872 211 G HN -0.268 8.125 8.290 0.172 0.000 0.475 212 I N -1.428 119.243 120.570 0.168 0.000 2.533 212 I HA 0.542 5.019 4.170 0.144 -0.220 0.290 212 I C -0.461 175.786 176.117 0.216 0.000 1.056 212 I CA -1.371 60.017 61.300 0.148 0.000 1.057 212 I CB 4.345 42.392 38.000 0.078 0.000 1.240 212 I HN -0.398 7.902 8.210 0.150 0.000 0.423 213 V N 7.393 127.453 119.914 0.243 0.000 2.458 213 V HA -0.201 4.068 4.120 0.248 0.000 0.287 213 V C -1.135 174.998 176.094 0.065 0.000 1.009 213 V CA 2.036 64.457 62.300 0.201 0.000 1.091 213 V CB -1.296 30.654 31.823 0.213 0.000 0.960 213 V HN 0.338 8.647 8.190 0.198 0.000 0.476 214 S N 8.024 123.665 115.700 -0.099 0.000 3.200 214 S HA 0.306 4.966 4.470 0.317 0.000 0.209 214 S C -0.919 173.777 174.600 0.161 0.000 0.869 214 S CA 0.967 59.237 58.200 0.118 0.000 0.820 214 S CB 2.612 65.868 63.200 0.093 0.000 0.834 214 S HN -0.018 8.031 8.310 -0.435 0.000 0.622 215 W N -3.966 117.185 121.300 -0.249 0.000 2.961 215 W HA 0.266 4.823 4.660 -0.171 0.000 0.368 215 W C -3.162 173.176 176.519 -0.300 0.000 1.213 215 W CA -0.842 56.359 57.345 -0.240 0.000 1.173 215 W CB 0.823 30.137 29.460 -0.243 0.000 1.487 215 W HN -0.321 7.505 8.180 -0.590 0.000 0.585 216 G N -3.323 105.479 108.800 0.004 0.000 2.451 216 G HA2 0.063 3.639 3.960 -0.639 0.000 0.292 216 G HA3 0.063 3.905 3.960 -0.196 0.000 0.292 216 G C -2.146 172.857 174.900 0.171 0.000 1.427 216 G CA 0.269 45.266 45.100 -0.173 0.000 0.792 216 G HN -0.052 8.419 8.290 0.302 0.000 0.498 220 c N 1.847 120.482 118.600 0.058 0.000 3.465 220 c HA 0.307 5.050 4.570 0.058 -0.138 0.193 220 c C -1.335 172.785 174.090 0.050 0.000 1.515 220 c CA -1.066 55.295 56.329 0.053 0.000 1.340 220 c CB -1.436 41.099 42.510 0.043 0.000 1.928 220 c HN 0.331 8.592 8.230 0.051 0.000 0.510 221 Q N -1.355 118.476 119.800 0.053 0.000 2.896 221 Q HA 0.100 4.460 4.340 0.033 0.000 0.241 221 Q C -1.257 174.765 176.000 0.036 0.000 0.999 221 Q CA -0.628 55.200 55.803 0.040 0.000 0.912 221 Q CB 2.214 30.977 28.738 0.042 0.000 2.012 221 Q HN 0.202 8.509 8.270 0.062 0.000 0.489 222 K N 3.880 124.295 120.400 0.024 0.000 2.436 222 K HA -0.267 4.202 4.320 0.031 -0.131 0.275 222 K C 0.329 176.927 176.600 -0.005 0.000 0.999 222 K CA 0.773 57.071 56.287 0.018 0.000 0.980 222 K CB 0.024 32.532 32.500 0.012 0.000 0.919 222 K HN 0.266 8.529 8.250 0.022 0.000 0.484 223 N N 2.014 120.707 118.700 -0.012 0.000 2.732 223 N HA -0.477 4.235 4.740 -0.047 0.000 0.250 223 N C -1.579 173.854 175.510 -0.128 0.000 1.097 223 N CA 1.941 54.956 53.050 -0.058 0.000 0.812 223 N CB -0.377 38.071 38.487 -0.065 0.000 1.148 223 N HN 0.786 9.049 8.380 0.009 0.123 0.572 224 K N -2.155 118.198 120.400 -0.078 0.000 2.762 224 K HA 0.536 4.644 4.320 -0.353 0.000 0.180 224 K C -2.265 174.375 176.600 0.066 0.000 1.067 224 K CA -3.491 52.745 56.287 -0.086 0.000 0.973 224 K CB -0.339 32.175 32.500 0.024 0.000 1.290 224 K HN -0.716 7.454 8.250 -0.018 0.070 0.604 225 P HA -0.084 4.394 4.420 0.096 0.000 0.272 225 P C -0.605 176.739 177.300 0.073 0.000 1.254 225 P CA -0.298 62.863 63.100 0.101 0.000 0.795 225 P CB 1.079 32.830 31.700 0.084 0.000 1.022 226 G N -2.699 106.102 108.800 0.001 0.000 2.448 226 G HA2 0.419 4.134 3.960 -0.408 0.000 0.285 226 G HA3 0.419 4.186 3.960 -0.322 0.000 0.285 226 G C -1.908 172.611 174.900 -0.636 0.000 1.176 226 G CA -0.885 44.008 45.100 -0.345 0.000 0.852 226 G HN -0.406 7.954 8.290 0.116 0.000 0.530 227 V N 1.583 120.786 119.914 -1.185 0.000 2.495 227 V HA 0.725 4.595 4.120 -0.725 -0.185 0.298 227 V C -1.013 174.298 176.094 -1.306 0.000 1.031 227 V CA -1.208 60.395 62.300 -1.160 0.000 0.871 227 V CB 2.433 33.211 31.823 -1.741 0.000 0.988 227 V HN 0.454 7.901 8.190 -1.238 0.000 0.432 228 Y N 5.107 125.001 120.300 -0.676 0.000 2.485 228 Y HA 0.611 5.083 4.550 -0.382 -0.151 0.345 228 Y C 0.395 176.007 175.900 -0.481 0.000 0.998 228 Y CA -2.326 55.386 58.100 -0.647 0.000 1.059 228 Y CB 3.508 41.331 38.460 -1.062 0.000 1.234 228 Y HN 0.997 8.870 8.280 -0.678 0.000 0.461 229 T N 5.043 119.554 114.554 -0.071 0.000 2.870 229 T HA -0.036 4.524 4.350 0.087 -0.157 0.300 229 T C -0.575 174.239 174.700 0.191 0.000 0.989 229 T CA 1.620 63.757 62.100 0.062 0.000 1.139 229 T CB 0.451 69.336 68.868 0.028 0.000 0.920 229 T HN 0.387 8.616 8.240 -0.019 0.000 0.537 230 K N 8.317 128.917 120.400 0.334 0.000 2.171 230 K HA 0.091 4.817 4.320 0.678 0.000 0.274 230 K C 0.995 177.850 176.600 0.424 0.000 1.110 230 K CA -0.534 56.035 56.287 0.469 0.000 0.952 230 K CB -0.369 32.364 32.500 0.390 0.000 1.309 230 K HN 0.123 8.450 8.250 0.308 0.107 0.414 231 V N 6.118 126.257 119.914 0.375 0.000 2.380 231 V HA -0.545 3.853 4.120 0.463 0.000 0.251 231 V C 1.463 177.723 176.094 0.277 0.000 1.063 231 V CA 3.964 66.470 62.300 0.344 0.000 1.055 231 V CB -0.322 31.631 31.823 0.217 0.000 0.657 231 V HN 0.284 8.704 8.190 0.383 0.000 0.455 232 c N -3.428 115.274 118.600 0.171 0.000 2.409 232 c HA -0.236 4.384 4.570 0.083 0.000 0.284 232 c C 1.769 175.889 174.090 0.050 0.000 1.354 232 c CA 1.779 58.160 56.329 0.087 0.000 1.787 232 c CB -2.129 40.402 42.510 0.035 0.000 1.900 232 c HN 0.481 8.795 8.230 0.167 0.016 0.520 233 N N 0.146 118.852 118.700 0.011 0.000 2.463 233 N HA -0.090 4.566 4.740 -0.140 0.000 0.181 233 N C -0.041 175.256 175.510 -0.354 0.000 1.078 233 N CA 1.213 54.132 53.050 -0.218 0.000 0.902 233 N CB -0.177 38.055 38.487 -0.426 0.000 0.970 233 N HN -0.354 8.042 8.380 0.097 0.042 0.451 234 Y N -4.880 115.486 120.300 0.110 0.000 2.531 234 Y HA 0.111 4.793 4.550 0.220 0.000 0.249 234 Y C 0.310 176.346 175.900 0.226 0.000 1.168 234 Y CA -0.228 57.992 58.100 0.200 0.000 1.226 234 Y CB -0.124 38.469 38.460 0.223 0.000 1.177 234 Y HN -0.109 8.116 8.280 0.229 0.192 0.527 235 V N 1.142 121.196 119.914 0.232 0.000 2.287 235 V HA -0.584 3.629 4.120 0.156 0.000 0.248 235 V C 1.336 177.502 176.094 0.119 0.000 1.053 235 V CA 5.059 67.450 62.300 0.151 0.000 1.027 235 V CB -0.568 31.305 31.823 0.083 0.000 0.646 235 V HN -0.842 7.449 8.190 0.167 0.000 0.447 236 S N -0.089 115.681 115.700 0.118 0.000 2.382 236 S HA -0.335 4.157 4.470 0.036 0.000 0.228 236 S C 1.645 176.314 174.600 0.115 0.000 1.027 236 S CA 3.593 61.843 58.200 0.085 0.000 0.991 236 S CB -0.514 62.733 63.200 0.078 0.000 0.823 236 S HN 0.162 8.540 8.310 0.112 0.000 0.469 237 W N 3.891 125.227 121.300 0.060 0.000 2.355 237 W HA -0.181 4.508 4.660 0.048 0.000 0.309 237 W C 1.678 178.214 176.519 0.029 0.000 1.206 237 W CA 3.039 60.433 57.345 0.082 0.000 1.284 237 W CB -0.006 29.589 29.460 0.225 0.000 1.145 237 W HN -0.433 7.960 8.180 0.372 0.011 0.502 238 I N -0.690 119.886 120.570 0.009 0.000 2.127 238 I HA -0.767 3.013 4.170 -0.649 0.000 0.241 238 I C 1.840 177.728 176.117 -0.382 0.000 1.075 238 I CA 4.569 65.692 61.300 -0.294 0.000 1.334 238 I CB -0.248 37.734 38.000 -0.030 0.000 1.040 238 I HN 0.378 8.788 8.210 0.335 0.000 0.405 239 K N -1.012 119.263 120.400 -0.209 0.000 2.063 239 K HA -0.425 3.746 4.320 -0.247 0.000 0.208 239 K C 2.784 179.235 176.600 -0.248 0.000 1.048 239 K CA 3.786 59.947 56.287 -0.210 0.000 0.928 239 K CB -0.365 32.072 32.500 -0.105 0.000 0.713 239 K HN -0.043 8.150 8.250 -0.095 0.000 0.442 240 Q N -2.030 117.634 119.800 -0.227 0.000 2.079 240 Q HA -0.284 3.964 4.340 -0.154 0.000 0.200 240 Q C 2.662 178.479 176.000 -0.306 0.000 0.974 240 Q CA 3.378 59.056 55.803 -0.207 0.000 0.840 240 Q CB 0.045 28.706 28.738 -0.129 0.000 0.898 240 Q HN 0.241 8.294 8.270 -0.183 0.108 0.430 241 T N 2.776 117.023 114.554 -0.512 0.000 2.708 241 T HA -0.277 3.833 4.350 -0.400 0.000 0.266 241 T C 2.270 176.655 174.700 -0.525 0.000 1.037 241 T CA 4.983 66.738 62.100 -0.575 0.000 1.146 241 T CB -0.165 68.096 68.868 -1.011 0.000 0.865 241 T HN 0.049 7.915 8.240 -0.622 0.000 0.435 242 I N 0.967 121.118 120.570 -0.698 0.000 2.226 242 I HA -0.482 2.956 4.170 -1.220 0.000 0.245 242 I C 1.825 177.732 176.117 -0.350 0.000 1.100 242 I CA 3.854 64.645 61.300 -0.848 0.000 1.374 242 I CB -0.407 37.010 38.000 -0.972 0.000 1.057 242 I HN 0.055 7.845 8.210 -0.699 0.000 0.413 243 A N -0.573 122.086 122.820 -0.269 0.000 1.978 243 A HA -0.231 4.032 4.320 -0.096 0.000 0.220 243 A C 1.320 178.857 177.584 -0.078 0.000 1.170 243 A CA 2.813 54.770 52.037 -0.133 0.000 0.636 243 A CB -0.506 18.424 19.000 -0.117 0.000 0.810 243 A HN 0.042 8.000 8.150 -0.319 0.000 0.448 244 S N -4.831 110.811 115.700 -0.097 0.000 2.557 244 S HA 0.109 4.566 4.470 -0.022 0.000 0.223 244 S C -1.006 173.600 174.600 0.010 0.000 0.969 244 S CA 0.782 58.958 58.200 -0.040 0.000 0.927 244 S CB 0.881 64.048 63.200 -0.055 0.000 0.806 244 S HN -0.408 7.676 8.310 -0.163 0.128 0.489 245 N N 0.000 118.734 118.700 0.056 0.000 1.763 245 N HA 0.000 4.813 4.740 0.122 0.000 0.220 245 N CA 0.000 53.158 53.050 0.180 0.000 0.885 245 N CB 0.000 38.667 38.487 0.300 0.000 1.341 245 N HN 0.000 8.221 8.380 0.021 0.171 0.667