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 1o2x_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 4.193 4.170 0.039 0.000 0.288 16 I C 0.000 176.118 176.117 0.001 0.000 1.063 16 I CA 0.000 61.305 61.300 0.009 0.000 1.566 16 I CB 0.000 37.968 38.000 -0.053 0.000 1.214 17 V N 5.138 125.063 119.914 0.019 0.000 2.459 17 V HA 0.262 4.379 4.120 -0.005 0.000 0.295 17 V C 0.485 176.586 176.094 0.011 0.000 1.029 17 V CA -1.678 60.628 62.300 0.010 0.000 0.874 17 V CB 1.444 33.279 31.823 0.019 0.000 0.985 17 V HN 0.958 9.064 8.190 0.040 0.108 0.438 18 G N 6.853 115.652 108.800 -0.001 0.000 2.160 18 G HA2 -0.394 3.561 3.960 -0.009 0.000 0.251 18 G HA3 -0.394 3.718 3.960 -0.024 -0.165 0.251 18 G C -0.621 174.289 174.900 0.017 0.000 1.008 18 G CA 0.503 45.599 45.100 -0.007 0.000 0.724 18 G HN 0.781 9.068 8.290 -0.005 0.000 0.514 19 G N -1.197 107.613 108.800 0.017 0.000 2.583 19 G HA2 0.497 4.514 3.960 0.114 0.000 0.280 19 G HA3 0.497 4.491 3.960 -0.072 -0.077 0.280 19 G C -1.692 173.258 174.900 0.082 0.000 1.376 19 G CA -1.050 44.066 45.100 0.028 0.000 1.043 19 G HN -0.676 7.579 8.290 -0.003 0.033 0.538 20 Y N -6.099 114.181 120.300 -0.033 0.000 2.634 20 Y HA 0.403 4.935 4.550 -0.030 0.000 0.340 20 Y C -1.761 174.111 175.900 -0.046 0.000 1.058 20 Y CA -2.975 55.105 58.100 -0.033 0.000 1.081 20 Y CB 1.128 39.571 38.460 -0.028 0.000 1.295 20 Y HN 0.409 8.278 8.280 -0.510 0.105 0.487 21 T N 2.816 117.401 114.554 0.052 0.000 2.769 21 T HA 0.087 4.489 4.350 -0.131 -0.130 0.293 21 T C -0.012 174.682 174.700 -0.011 0.000 0.931 21 T CA 1.265 63.343 62.100 -0.035 0.000 1.139 21 T CB -0.253 68.631 68.868 0.026 0.000 0.881 21 T HN 0.115 8.453 8.240 0.164 0.000 0.532 22 c N 5.793 124.289 118.600 -0.175 0.000 2.413 22 c HA -0.188 4.339 4.570 -0.071 0.000 0.276 22 c C 0.404 174.503 174.090 0.016 0.000 1.248 22 c CA 1.022 57.286 56.329 -0.109 0.000 1.742 22 c CB -0.200 42.183 42.510 -0.212 0.000 2.017 22 c HN 0.150 8.226 8.230 -0.257 0.000 0.481 23 G N -2.291 106.504 108.800 -0.009 0.000 2.885 23 G HA2 -0.181 3.793 3.960 0.022 0.000 0.685 23 G HA3 -0.181 3.797 3.960 0.030 0.000 0.685 23 G C -1.879 173.019 174.900 -0.004 0.000 1.216 23 G CA -0.823 44.285 45.100 0.015 0.000 0.790 23 G HN -0.384 7.880 8.290 -0.042 0.000 0.631 24 A N 3.874 126.700 122.820 0.011 0.000 2.567 24 A HA -0.232 4.313 4.320 0.023 -0.211 0.240 24 A C -0.127 177.461 177.584 0.007 0.000 1.053 24 A CA 1.113 53.160 52.037 0.017 0.000 0.755 24 A CB 0.124 19.140 19.000 0.028 0.000 0.978 24 A HN 0.325 8.485 8.150 0.018 0.000 0.507 25 N N -3.060 115.643 118.700 0.005 0.000 2.678 25 N HA -0.391 4.343 4.740 -0.011 0.000 0.249 25 N C 0.555 176.048 175.510 -0.027 0.000 1.119 25 N CA 1.753 54.799 53.050 -0.007 0.000 0.718 25 N CB -0.979 37.515 38.487 0.011 0.000 1.060 25 N HN 0.525 8.915 8.380 0.018 0.000 0.552 26 T N -3.677 110.852 114.554 -0.042 0.000 3.113 26 T HA -0.017 4.329 4.350 -0.008 0.000 0.256 26 T C -0.023 174.629 174.700 -0.080 0.000 1.131 26 T CA 2.083 64.163 62.100 -0.032 0.000 1.074 26 T CB 0.434 69.297 68.868 -0.010 0.000 0.944 26 T HN -0.515 7.657 8.240 -0.047 0.040 0.516 27 V N 2.170 121.977 119.914 -0.178 0.000 2.320 27 V HA 0.376 4.261 4.120 -0.392 0.000 0.257 27 V C -1.565 174.240 176.094 -0.482 0.000 0.996 27 V CA -3.385 58.661 62.300 -0.423 0.000 0.928 27 V CB 0.587 32.126 31.823 -0.474 0.000 1.169 27 V HN -0.521 7.508 8.190 -0.152 0.070 0.475 28 P HA 0.042 4.522 4.420 -0.062 -0.097 0.230 28 P C 0.108 177.388 177.300 -0.033 0.000 1.158 28 P CA 1.624 64.676 63.100 -0.080 0.000 0.769 28 P CB 0.083 31.802 31.700 0.032 0.000 0.807 29 Y N -6.029 114.298 120.300 0.045 0.000 2.457 29 Y HA 0.514 5.245 4.550 0.059 -0.146 0.263 29 Y C -0.593 175.347 175.900 0.066 0.000 1.164 29 Y CA -3.302 54.831 58.100 0.054 0.000 1.274 29 Y CB -1.211 37.277 38.460 0.046 0.000 1.097 29 Y HN -0.419 7.367 8.280 -0.721 0.061 0.523 30 Q N 2.845 122.505 119.800 -0.233 0.000 2.313 30 Q HA 0.204 4.708 4.340 0.056 -0.130 0.266 30 Q C -0.329 175.750 176.000 0.133 0.000 0.989 30 Q CA 0.151 55.922 55.803 -0.053 0.000 0.890 30 Q CB 1.118 29.723 28.738 -0.222 0.000 1.200 30 Q HN -0.573 7.238 8.270 -0.492 0.164 0.396 31 V N 1.247 121.276 119.914 0.191 0.000 3.074 31 V HA 0.808 5.146 4.120 0.179 -0.110 0.314 31 V C -2.023 174.205 176.094 0.223 0.000 1.117 31 V CA -2.938 59.467 62.300 0.174 0.000 1.014 31 V CB 3.951 35.828 31.823 0.090 0.000 1.057 31 V HN 0.404 8.703 8.190 0.182 0.000 0.438 32 S N 0.277 116.006 115.700 0.048 0.000 2.473 32 S HA 0.486 5.155 4.470 0.129 -0.121 0.307 32 S C -1.127 173.328 174.600 -0.241 0.000 1.094 32 S CA -2.029 56.132 58.200 -0.065 0.000 1.070 32 S CB 1.974 64.934 63.200 -0.400 0.000 1.019 32 S HN 0.132 8.435 8.310 -0.012 0.000 0.480 33 L N 6.972 127.914 121.223 -0.467 0.000 2.272 33 L HA 0.573 4.801 4.340 -0.409 -0.133 0.289 33 L C -1.546 174.806 176.870 -0.863 0.000 1.032 33 L CA -0.903 53.521 54.840 -0.693 0.000 0.810 33 L CB 0.769 42.197 42.059 -1.051 0.000 1.205 33 L HN 0.687 8.602 8.230 -0.525 0.000 0.422 38 G N -0.052 108.663 108.800 -0.142 0.000 2.176 38 G HA2 -0.289 3.663 3.960 -0.013 0.000 0.232 38 G HA3 -0.289 3.741 3.960 0.116 0.000 0.232 38 G C -1.514 173.490 174.900 0.173 0.000 0.986 38 G CA 0.340 45.461 45.100 0.036 0.000 0.643 38 G HN 0.247 8.721 8.290 -0.187 -0.296 0.522 39 Y N -7.701 112.571 120.300 -0.046 0.000 2.732 39 Y HA 0.191 4.699 4.550 -0.070 0.000 0.342 39 Y C -2.535 173.355 175.900 -0.016 0.000 1.203 39 Y CA -3.454 54.619 58.100 -0.044 0.000 1.092 39 Y CB 0.765 39.200 38.460 -0.042 0.000 1.345 39 Y HN -1.248 6.855 8.280 -0.329 -0.020 0.458 40 H N 2.753 121.762 119.070 -0.102 0.000 2.767 40 H HA 0.067 4.552 4.556 -0.379 -0.157 0.316 40 H C -0.407 174.875 175.328 -0.077 0.000 1.059 40 H CA -0.483 55.426 56.048 -0.233 0.000 1.461 40 H CB 0.363 29.977 29.762 -0.247 0.000 1.475 40 H HN 0.306 8.680 8.280 0.157 0.000 0.531 41 F N 2.344 121.851 119.950 -0.739 0.000 2.834 41 F HA 0.319 4.727 4.527 -0.198 0.000 0.332 41 F C -1.510 174.019 175.800 -0.452 0.000 1.056 41 F CA -0.700 57.043 58.000 -0.429 0.000 1.178 41 F CB 1.543 40.360 39.000 -0.304 0.000 1.037 41 F HN 0.265 7.811 8.300 -1.257 0.000 0.580 42 c N -1.727 116.162 118.600 -1.185 0.000 3.306 42 c HA 0.300 4.717 4.570 -0.255 0.000 0.335 42 c C -1.750 172.104 174.090 -0.392 0.000 1.382 42 c CA -0.100 55.884 56.329 -0.575 0.000 1.254 42 c CB 4.030 46.299 42.510 -0.401 0.000 1.555 42 c HN -0.792 6.425 8.230 -1.687 0.000 0.463 43 G N -1.021 107.748 108.800 -0.053 0.000 2.705 43 G HA2 0.822 5.043 3.960 0.200 0.000 0.299 43 G HA3 0.822 4.902 3.960 0.201 0.000 0.299 43 G C -2.538 172.379 174.900 0.029 0.000 1.315 43 G CA -1.693 43.477 45.100 0.115 0.000 1.045 43 G HN 0.793 9.064 8.290 -0.031 0.000 0.517 44 G N -4.054 104.800 108.800 0.089 0.000 2.506 44 G HA2 0.538 4.856 3.960 0.077 0.000 0.292 44 G HA3 0.538 4.530 3.960 0.053 0.000 0.292 44 G C -2.952 172.032 174.900 0.140 0.000 1.425 44 G CA 0.323 45.473 45.100 0.083 0.000 0.788 44 G HN -0.572 7.805 8.290 0.146 0.000 0.490 45 S N -0.564 115.226 115.700 0.150 0.000 2.521 45 S HA 0.868 5.711 4.470 0.265 -0.214 0.295 45 S C -1.306 173.399 174.600 0.175 0.000 1.098 45 S CA -0.989 57.336 58.200 0.207 0.000 0.999 45 S CB 3.872 67.189 63.200 0.196 0.000 1.034 45 S HN 0.443 8.829 8.310 0.127 0.000 0.483 46 L N 5.985 127.327 121.223 0.199 0.000 2.313 46 L HA 0.186 4.733 4.340 0.150 -0.117 0.282 46 L C -0.744 176.212 176.870 0.145 0.000 1.092 46 L CA -0.154 54.784 54.840 0.163 0.000 0.831 46 L CB 1.056 43.210 42.059 0.159 0.000 1.159 46 L HN 0.421 8.807 8.230 0.259 0.000 0.442 47 I N 0.642 121.294 120.570 0.137 0.000 4.057 47 I HA 0.532 4.901 4.170 0.069 -0.157 0.334 47 I C -1.031 175.145 176.117 0.098 0.000 1.308 47 I CA -0.730 60.629 61.300 0.097 0.000 1.125 47 I CB 0.768 38.816 38.000 0.081 0.000 1.034 47 I HN 0.304 8.613 8.210 0.166 0.000 0.401 48 N N -1.893 116.887 118.700 0.135 0.000 3.261 48 N HA 0.111 4.908 4.740 0.094 0.000 0.248 48 N C -0.427 175.163 175.510 0.133 0.000 1.498 48 N CA -0.326 52.801 53.050 0.128 0.000 0.884 48 N CB 0.547 39.121 38.487 0.146 0.000 1.428 48 N HN -0.940 7.534 8.380 0.157 0.000 0.517 49 S N -3.702 112.063 115.700 0.108 0.000 2.547 49 S HA -0.312 4.201 4.470 0.071 0.000 0.235 49 S C 0.740 175.374 174.600 0.057 0.000 0.980 49 S CA 2.640 60.887 58.200 0.077 0.000 0.941 49 S CB -0.149 63.084 63.200 0.055 0.000 0.763 49 S HN 0.379 8.750 8.310 0.101 0.000 0.532 50 Q N -0.305 119.547 119.800 0.087 0.000 2.164 50 Q HA 0.347 4.631 4.340 -0.094 0.000 0.226 50 Q C -2.111 173.752 176.000 -0.228 0.000 0.813 50 Q CA -0.363 55.396 55.803 -0.074 0.000 0.978 50 Q CB 2.818 31.490 28.738 -0.110 0.000 1.149 50 Q HN 0.193 8.880 8.270 0.182 -0.308 0.489 51 W N -2.086 119.222 121.300 0.012 0.000 2.819 51 W HA 0.731 5.597 4.660 0.010 -0.200 0.337 51 W C -1.445 175.089 176.519 0.025 0.000 1.077 51 W CA -1.139 56.213 57.345 0.011 0.000 1.226 51 W CB 3.733 33.191 29.460 -0.003 0.000 1.419 51 W HN -0.243 8.252 8.180 0.276 -0.149 0.502 52 V N 1.249 121.325 119.914 0.270 0.000 2.823 52 V HA 0.827 5.241 4.120 0.175 -0.190 0.312 52 V C -1.466 174.746 176.094 0.196 0.000 1.072 52 V CA -1.768 60.642 62.300 0.183 0.000 0.937 52 V CB 3.798 35.684 31.823 0.104 0.000 1.013 52 V HN 0.914 9.275 8.190 0.286 0.000 0.430 53 V N 5.876 125.883 119.914 0.156 0.000 2.513 53 V HA 0.731 5.112 4.120 0.163 -0.164 0.299 53 V C -1.248 174.908 176.094 0.103 0.000 1.035 53 V CA -1.227 61.157 62.300 0.140 0.000 0.889 53 V CB 1.927 33.826 31.823 0.126 0.000 0.988 53 V HN 0.722 8.999 8.190 0.144 0.000 0.440 54 S N 4.307 120.055 115.700 0.080 0.000 2.973 54 S HA 0.562 5.278 4.470 0.039 -0.223 0.317 54 S C -2.047 172.551 174.600 -0.004 0.000 1.196 54 S CA -2.490 55.729 58.200 0.033 0.000 0.894 54 S CB 2.457 65.664 63.200 0.011 0.000 1.292 54 S HN 0.713 9.081 8.310 0.097 0.000 0.614 55 A N -0.514 122.266 122.820 -0.066 0.000 2.312 55 A HA 0.467 4.889 4.320 -0.095 -0.159 0.326 55 A C 0.690 178.161 177.584 -0.189 0.000 1.172 55 A CA -1.657 50.301 52.037 -0.130 0.000 0.821 55 A CB 1.654 20.534 19.000 -0.200 0.000 1.166 55 A HN 0.225 8.327 8.150 -0.080 0.000 0.493 56 A N 5.218 127.870 122.820 -0.279 0.000 1.940 56 A HA -0.279 3.883 4.320 -0.263 0.000 0.219 56 A C 1.350 178.694 177.584 -0.400 0.000 1.176 56 A CA 2.989 54.733 52.037 -0.488 0.000 0.631 56 A CB -0.425 17.859 19.000 -1.194 0.000 0.814 56 A HN 0.627 8.622 8.150 -0.256 0.001 0.446 57 H N -4.961 113.937 119.070 -0.285 0.000 2.563 57 H HA -0.070 4.512 4.556 0.044 0.000 0.272 57 H C 0.142 175.516 175.328 0.076 0.000 1.005 57 H CA 1.370 57.417 56.048 -0.001 0.000 1.171 57 H CB -1.171 28.668 29.762 0.127 0.000 1.351 57 H HN -0.017 8.454 8.280 -0.190 -0.306 0.602 58 c N -1.806 116.708 118.600 -0.143 0.000 2.791 58 c HA 0.041 4.660 4.570 0.081 0.000 0.270 58 c C 0.280 174.446 174.090 0.126 0.000 1.257 58 c CA -0.021 56.317 56.329 0.015 0.000 1.699 58 c CB -1.384 41.109 42.510 -0.027 0.000 1.904 58 c HN -0.229 7.682 8.230 -0.201 0.198 0.603 59 Y N 3.137 123.428 120.300 -0.016 0.000 2.610 59 Y HA -0.245 4.318 4.550 0.022 0.000 0.332 59 Y C -1.169 174.702 175.900 -0.049 0.000 1.201 59 Y CA 2.049 60.143 58.100 -0.010 0.000 1.465 59 Y CB 0.792 39.236 38.460 -0.027 0.000 1.283 59 Y HN -0.451 7.740 8.280 0.149 0.179 0.563 60 K N 6.075 125.739 120.400 -1.227 0.000 2.658 60 K HA 0.201 4.035 4.320 -0.811 0.000 0.293 60 K C -2.310 173.754 176.600 -0.893 0.000 1.026 60 K CA -0.962 54.766 56.287 -0.932 0.000 0.871 60 K CB 2.436 34.565 32.500 -0.619 0.000 1.524 60 K HN -0.125 7.352 8.250 -1.288 0.000 0.400 61 S N -0.570 114.831 115.700 -0.499 0.000 2.687 61 S HA 0.145 4.439 4.470 -0.293 0.000 0.283 61 S C 0.702 175.169 174.600 -0.220 0.000 1.170 61 S CA -0.396 57.632 58.200 -0.287 0.000 1.008 61 S CB 1.328 64.448 63.200 -0.133 0.000 1.026 61 S HN -0.178 7.902 8.310 -0.383 0.000 0.541 62 G N 0.301 109.014 108.800 -0.145 0.000 2.248 62 G HA2 -0.242 3.666 3.960 -0.086 0.000 0.263 62 G HA3 -0.242 3.647 3.960 -0.118 0.000 0.263 62 G C -1.549 173.283 174.900 -0.114 0.000 1.082 62 G CA 0.143 45.174 45.100 -0.115 0.000 0.863 62 G HN 0.310 8.529 8.290 -0.118 0.000 0.495 63 I N -1.329 119.185 120.570 -0.094 0.000 2.385 63 I HA 0.137 4.432 4.170 0.000 -0.124 0.294 63 I C -1.635 174.443 176.117 -0.066 0.000 0.988 63 I CA -0.868 60.407 61.300 -0.040 0.000 1.265 63 I CB 1.107 39.107 38.000 0.000 0.000 1.388 63 I HN -0.470 7.680 8.210 -0.099 0.000 0.480 64 Q N 6.305 126.050 119.800 -0.091 0.000 3.226 64 Q HA 0.584 4.973 4.340 -0.088 -0.102 0.276 64 Q C -1.697 174.210 176.000 -0.155 0.000 1.029 64 Q CA -1.977 53.752 55.803 -0.123 0.000 0.854 64 Q CB 4.369 32.999 28.738 -0.179 0.000 1.567 64 Q HN 0.350 8.569 8.270 -0.084 0.000 0.481 65 R N -2.445 117.989 120.500 -0.110 0.000 3.321 65 R HA 0.361 4.955 4.340 0.144 -0.168 0.285 65 R C -1.450 174.879 176.300 0.050 0.000 1.149 65 R CA 0.088 56.170 56.100 -0.030 0.000 1.191 65 R CB 2.214 32.354 30.300 -0.266 0.000 1.276 65 R HN 0.663 8.846 8.270 -0.145 0.000 0.429 70 E N -0.504 119.790 120.200 0.156 0.000 2.283 70 E HA 0.152 4.578 4.350 0.127 0.000 0.271 70 E C -1.858 174.929 176.600 0.311 0.000 1.031 70 E CA 0.111 56.619 56.400 0.180 0.000 0.868 70 E CB 1.733 31.468 29.700 0.058 0.000 1.094 70 E HN -0.636 7.804 8.360 0.179 0.027 0.401 71 D N 1.058 121.617 120.400 0.264 0.000 2.957 71 D HA 0.056 4.908 4.640 0.353 0.000 0.175 71 D C -1.094 175.402 176.300 0.328 0.000 1.502 71 D CA 0.975 55.143 54.000 0.281 0.000 1.524 71 D CB 2.459 43.338 40.800 0.132 0.000 1.300 71 D HN 0.099 8.573 8.370 0.173 0.000 0.241 72 N N 1.211 120.012 118.700 0.169 0.000 2.401 72 N HA 0.166 5.140 4.740 0.173 -0.130 0.255 72 N C 2.133 177.652 175.510 0.014 0.000 1.110 72 N CA -0.492 52.629 53.050 0.117 0.000 0.949 72 N CB 0.406 38.937 38.487 0.072 0.000 1.110 72 N HN -0.399 8.356 8.380 0.124 -0.300 0.490 73 I N 0.822 121.315 120.570 -0.128 0.000 3.444 73 I HA -0.108 4.056 4.170 -0.264 -0.152 0.287 73 I C -0.590 175.443 176.117 -0.140 0.000 1.302 73 I CA 1.298 62.421 61.300 -0.295 0.000 1.368 73 I CB -0.884 36.690 38.000 -0.711 0.000 1.048 73 I HN 0.496 8.647 8.210 -0.098 0.000 0.487 74 N N -2.099 116.566 118.700 -0.059 0.000 2.220 74 N HA 0.122 4.845 4.740 -0.027 0.000 0.195 74 N C -0.790 174.727 175.510 0.012 0.000 1.123 74 N CA 0.090 53.129 53.050 -0.018 0.000 0.874 74 N CB 2.190 40.676 38.487 -0.002 0.000 0.995 74 N HN -0.026 8.614 8.380 -0.037 -0.282 0.498 75 V N 0.111 120.037 119.914 0.020 0.000 2.588 75 V HA 0.039 4.176 4.120 0.029 0.000 0.304 75 V C -1.321 174.796 176.094 0.038 0.000 1.042 75 V CA -1.146 61.172 62.300 0.030 0.000 0.877 75 V CB 2.997 34.837 31.823 0.027 0.000 0.996 75 V HN -0.781 7.483 8.190 0.013 -0.066 0.425 76 V N 7.848 127.781 119.914 0.032 0.000 2.372 76 V HA -0.173 4.190 4.120 0.027 -0.226 0.261 76 V C 0.178 176.269 176.094 -0.004 0.000 1.055 76 V CA 0.647 62.953 62.300 0.010 0.000 0.930 76 V CB -0.268 31.540 31.823 -0.024 0.000 1.031 76 V HN 0.319 8.525 8.190 0.028 0.000 0.479 77 E N 7.993 128.194 120.200 0.001 0.000 2.460 77 E HA 0.113 4.464 4.350 0.002 0.000 0.200 77 E C -0.173 176.421 176.600 -0.010 0.000 1.011 77 E CA -0.365 56.036 56.400 0.003 0.000 0.912 77 E CB 0.610 30.322 29.700 0.019 0.000 0.953 77 E HN 0.424 9.213 8.360 0.009 -0.423 0.494 78 G N 0.013 108.796 108.800 -0.028 0.000 2.539 78 G HA2 -0.231 3.692 3.960 -0.062 0.000 0.686 78 G HA3 -0.231 3.713 3.960 -0.027 0.000 0.686 78 G C -1.729 173.153 174.900 -0.029 0.000 1.258 78 G CA -0.738 44.338 45.100 -0.039 0.000 0.846 78 G HN -0.455 8.167 8.290 -0.036 -0.354 0.647 79 N N -4.140 114.537 118.700 -0.038 0.000 2.962 79 N HA -0.283 4.444 4.740 -0.022 0.000 0.206 79 N C -0.910 174.584 175.510 -0.028 0.000 0.907 79 N CA 1.371 54.408 53.050 -0.022 0.000 1.029 79 N CB -0.314 38.176 38.487 0.004 0.000 1.009 79 N HN 0.155 8.504 8.380 -0.052 0.000 0.587 80 E N -0.892 119.269 120.200 -0.065 0.000 2.383 80 E HA 0.105 4.702 4.350 0.023 -0.234 0.264 80 E C -0.106 176.402 176.600 -0.152 0.000 1.050 80 E CA 0.786 57.138 56.400 -0.079 0.000 0.896 80 E CB 0.411 29.997 29.700 -0.191 0.000 0.982 80 E HN -0.199 8.008 8.360 -0.081 0.105 0.424 81 Q N 1.889 121.670 119.800 -0.032 0.000 2.274 81 Q HA 0.269 4.541 4.340 -0.113 0.000 0.268 81 Q C -1.502 174.620 176.000 0.203 0.000 1.015 81 Q CA -1.183 54.613 55.803 -0.012 0.000 0.775 81 Q CB 2.857 31.608 28.738 0.022 0.000 1.256 81 Q HN 0.265 8.588 8.270 0.089 0.000 0.442 82 F N 3.534 123.462 119.950 -0.036 0.000 2.411 82 F HA 0.470 5.147 4.527 -0.053 -0.182 0.352 82 F C -0.101 175.673 175.800 -0.044 0.000 1.123 82 F CA -2.982 54.991 58.000 -0.046 0.000 1.044 82 F CB 1.058 40.029 39.000 -0.048 0.000 1.135 82 F HN 0.364 8.672 8.300 0.014 0.000 0.461 83 I N 3.821 124.464 120.570 0.122 0.000 2.619 83 I HA 0.241 4.436 4.170 0.043 0.000 0.292 83 I C -1.328 174.785 176.117 -0.006 0.000 1.100 83 I CA -1.385 59.939 61.300 0.039 0.000 1.043 83 I CB 4.236 42.244 38.000 0.014 0.000 1.239 83 I HN 0.860 9.129 8.210 0.098 0.000 0.420 84 S N 5.458 121.147 115.700 -0.018 0.000 2.592 84 S HA 0.048 4.489 4.470 -0.048 0.000 0.271 84 S C -0.464 174.100 174.600 -0.060 0.000 1.326 84 S CA 0.807 58.983 58.200 -0.041 0.000 1.024 84 S CB 0.896 64.074 63.200 -0.035 0.000 0.921 84 S HN 0.443 8.748 8.310 -0.009 0.000 0.527 85 A N 3.153 125.934 122.820 -0.065 0.000 2.354 85 A HA 0.205 4.567 4.320 -0.103 -0.104 0.269 85 A C -0.576 176.960 177.584 -0.081 0.000 1.109 85 A CA -0.499 51.490 52.037 -0.080 0.000 0.800 85 A CB 0.859 19.824 19.000 -0.058 0.000 1.045 85 A HN -0.228 7.886 8.150 -0.060 0.000 0.489 86 S N 3.002 118.634 115.700 -0.113 0.000 2.412 86 S HA 0.058 4.487 4.470 -0.069 0.000 0.223 86 S C 0.476 175.035 174.600 -0.067 0.000 1.048 86 S CA 1.256 59.399 58.200 -0.095 0.000 0.954 86 S CB 0.955 64.076 63.200 -0.132 0.000 0.840 86 S HN 0.833 8.931 8.310 -0.161 0.115 0.503 87 K N 0.119 120.469 120.400 -0.084 0.000 2.536 87 K HA 0.289 4.625 4.320 0.027 0.000 0.269 87 K C -2.303 174.317 176.600 0.033 0.000 0.965 87 K CA -0.804 55.479 56.287 -0.006 0.000 0.860 87 K CB 3.523 36.028 32.500 0.008 0.000 1.423 87 K HN -0.762 7.397 8.250 -0.151 0.000 0.438 88 S N 1.117 116.895 115.700 0.129 0.000 2.502 88 S HA 0.691 5.421 4.470 0.168 -0.159 0.304 88 S C -0.930 173.790 174.600 0.199 0.000 1.097 88 S CA -0.441 57.879 58.200 0.201 0.000 1.045 88 S CB 2.526 65.926 63.200 0.334 0.000 1.019 88 S HN 0.165 8.565 8.310 0.149 0.000 0.481 89 I N 7.261 127.957 120.570 0.211 0.000 2.420 89 I HA 0.124 4.376 4.170 0.135 0.000 0.282 89 I C -1.680 174.567 176.117 0.216 0.000 1.019 89 I CA -0.765 60.651 61.300 0.194 0.000 1.130 89 I CB 1.946 40.077 38.000 0.218 0.000 1.262 89 I HN 1.104 9.350 8.210 0.240 0.108 0.454 90 V N 7.825 127.800 119.914 0.102 0.000 2.546 90 V HA -0.110 4.047 4.120 0.061 0.000 0.284 90 V C -0.310 175.861 176.094 0.129 0.000 1.050 90 V CA -0.684 61.645 62.300 0.048 0.000 0.981 90 V CB 0.919 32.672 31.823 -0.117 0.000 0.990 90 V HN 0.381 8.587 8.190 0.026 0.000 0.474 91 H N 8.805 127.865 119.070 -0.017 0.000 3.094 91 H HA -0.084 4.349 4.556 -0.206 0.000 0.320 91 H C -0.283 175.028 175.328 -0.027 0.000 1.000 91 H CA 0.511 56.439 56.048 -0.201 0.000 1.413 91 H CB 1.489 30.959 29.762 -0.488 0.000 1.405 91 H HN -0.084 8.236 8.280 0.067 0.000 0.586 92 P HA -0.104 4.338 4.420 0.036 0.000 0.219 92 P C -0.435 176.935 177.300 0.117 0.000 1.146 92 P CA 1.506 64.602 63.100 -0.007 0.000 0.808 92 P CB 0.330 31.998 31.700 -0.053 0.000 0.779 93 S N -3.788 112.099 115.700 0.312 0.000 2.614 93 S HA 0.028 4.562 4.470 0.108 0.000 0.230 93 S C -0.495 174.196 174.600 0.152 0.000 0.952 93 S CA 0.053 58.380 58.200 0.212 0.000 0.949 93 S CB 0.480 63.793 63.200 0.189 0.000 0.786 93 S HN -0.358 8.296 8.310 0.633 0.035 0.478 94 Y N 3.637 123.980 120.300 0.071 0.000 2.610 94 Y HA -0.304 4.401 4.550 -0.057 -0.190 0.332 94 Y C -0.806 175.084 175.900 -0.017 0.000 1.201 94 Y CA 0.801 58.896 58.100 -0.009 0.000 1.465 94 Y CB 0.828 39.291 38.460 0.005 0.000 1.283 94 Y HN -0.735 7.579 8.280 0.350 0.175 0.563 95 N N 7.344 125.651 118.700 -0.654 0.000 2.518 95 N HA 0.213 4.659 4.740 -0.492 0.000 0.254 95 N C -0.286 174.675 175.510 -0.915 0.000 0.979 95 N CA -1.161 51.526 53.050 -0.605 0.000 0.930 95 N CB 1.496 39.805 38.487 -0.297 0.000 1.152 95 N HN -0.188 7.926 8.380 -0.443 0.000 0.505 96 S N 6.476 121.626 115.700 -0.918 0.000 2.547 96 S HA -0.101 3.995 4.470 -0.622 0.000 0.235 96 S C 0.666 175.082 174.600 -0.307 0.000 0.980 96 S CA 1.993 59.852 58.200 -0.568 0.000 0.941 96 S CB -0.213 62.850 63.200 -0.229 0.000 0.763 96 S HN 0.630 8.502 8.310 -0.731 0.000 0.532 97 N N 1.919 120.441 118.700 -0.296 0.000 2.387 97 N HA 0.049 4.665 4.740 -0.206 0.000 0.176 97 N C 1.054 176.399 175.510 -0.275 0.000 1.022 97 N CA 2.300 55.212 53.050 -0.231 0.000 0.883 97 N CB 0.812 39.191 38.487 -0.179 0.000 1.019 97 N HN 0.293 8.723 8.380 -0.330 -0.247 0.435 98 T N -4.030 110.356 114.554 -0.280 0.000 3.022 98 T HA 0.084 4.227 4.350 -0.345 0.000 0.250 98 T C 0.180 174.685 174.700 -0.325 0.000 1.060 98 T CA 0.358 62.282 62.100 -0.293 0.000 1.013 98 T CB 1.679 70.434 68.868 -0.188 0.000 0.982 98 T HN -0.339 8.020 8.240 -0.279 -0.287 0.508 99 L N -3.385 117.680 121.223 -0.264 0.000 4.089 99 L HA -0.509 3.940 4.340 0.062 -0.072 0.408 99 L C -1.865 175.038 176.870 0.056 0.000 1.184 99 L CA 0.459 55.256 54.840 -0.070 0.000 0.947 99 L CB -2.630 39.320 42.059 -0.182 0.000 2.066 99 L HN -0.021 8.025 8.230 -0.306 0.000 0.851 100 N N -0.964 117.723 118.700 -0.022 0.000 2.520 100 N HA -0.146 4.643 4.740 0.081 0.000 0.273 100 N C -0.046 175.507 175.510 0.071 0.000 1.155 100 N CA 0.587 53.656 53.050 0.032 0.000 0.967 100 N CB 1.164 39.639 38.487 -0.019 0.000 1.092 100 N HN -0.745 7.520 8.380 -0.122 0.042 0.457 101 N N -0.658 118.081 118.700 0.065 0.000 2.756 101 N HA -0.465 4.208 4.740 -0.112 0.000 0.248 101 N C -1.363 174.129 175.510 -0.030 0.000 1.062 101 N CA 1.358 54.353 53.050 -0.092 0.000 0.696 101 N CB -1.567 36.737 38.487 -0.306 0.000 0.946 101 N HN 0.623 9.067 8.380 0.107 0.000 0.548 102 D N -0.923 119.500 120.400 0.038 0.000 2.608 102 D HA 0.057 4.695 4.640 -0.003 0.000 0.224 102 D C -1.707 174.508 176.300 -0.142 0.000 1.123 102 D CA -0.385 53.632 54.000 0.030 0.000 1.030 102 D CB -0.801 40.113 40.800 0.190 0.000 1.093 102 D HN -0.089 8.317 8.370 0.061 0.000 0.497 103 I N 1.818 122.241 120.570 -0.246 0.000 2.802 103 I HA 0.583 4.847 4.170 -0.126 -0.169 0.298 103 I C -3.052 173.022 176.117 -0.072 0.000 1.176 103 I CA -1.571 59.610 61.300 -0.198 0.000 1.025 103 I CB 4.178 41.934 38.000 -0.406 0.000 1.243 103 I HN -0.002 8.007 8.210 -0.257 0.047 0.424 104 M N 6.239 125.866 119.600 0.045 0.000 2.470 104 M HA 0.752 5.533 4.480 0.231 -0.162 0.285 104 M C -2.795 173.634 176.300 0.215 0.000 1.213 104 M CA -0.997 54.393 55.300 0.150 0.000 0.901 104 M CB 4.846 37.489 32.600 0.072 0.000 1.718 104 M HN 0.496 8.808 8.290 0.037 0.000 0.469 105 L N 2.768 124.158 121.223 0.277 0.000 2.334 105 L HA 0.897 5.572 4.340 0.272 -0.172 0.276 105 L C -1.330 175.734 176.870 0.323 0.000 1.014 105 L CA -1.525 53.499 54.840 0.306 0.000 0.815 105 L CB 3.408 45.628 42.059 0.269 0.000 1.268 105 L HN 0.577 8.991 8.230 0.307 0.000 0.428 106 I N 0.239 120.985 120.570 0.295 0.000 2.498 106 I HA 0.611 5.016 4.170 0.090 -0.180 0.290 106 I C -1.687 174.368 176.117 -0.103 0.000 1.032 106 I CA -1.399 59.962 61.300 0.102 0.000 1.073 106 I CB 3.376 41.410 38.000 0.055 0.000 1.251 106 I HN 0.878 9.292 8.210 0.340 0.000 0.426 107 K N 6.369 126.511 120.400 -0.430 0.000 2.159 107 K HA 0.719 4.395 4.320 -1.351 -0.167 0.266 107 K C -1.095 175.216 176.600 -0.482 0.000 0.975 107 K CA -1.995 53.697 56.287 -0.991 0.000 0.865 107 K CB 3.236 34.974 32.500 -1.272 0.000 1.087 107 K HN 0.710 8.802 8.250 -0.263 0.000 0.446 108 L N 4.347 125.313 121.223 -0.428 0.000 2.399 108 L HA 0.252 4.606 4.340 -0.172 -0.117 0.266 108 L C 1.764 178.514 176.870 -0.200 0.000 1.114 108 L CA -0.103 54.603 54.840 -0.224 0.000 0.804 108 L CB 0.518 42.487 42.059 -0.150 0.000 1.146 108 L HN 0.851 8.642 8.230 -0.558 0.104 0.451 109 K N 2.157 122.481 120.400 -0.126 0.000 2.097 109 K HA -0.281 3.974 4.320 -0.107 0.000 0.205 109 K C -0.330 176.222 176.600 -0.080 0.000 1.050 109 K CA 2.627 58.857 56.287 -0.095 0.000 0.938 109 K CB 0.484 32.947 32.500 -0.062 0.000 0.718 109 K HN 0.395 8.583 8.250 -0.104 0.000 0.442 110 S N -3.433 112.226 115.700 -0.069 0.000 2.632 110 S HA 0.149 4.590 4.470 -0.050 0.000 0.289 110 S C -1.613 172.957 174.600 -0.050 0.000 1.115 110 S CA -1.083 57.087 58.200 -0.049 0.000 0.889 110 S CB 2.838 66.021 63.200 -0.029 0.000 1.116 110 S HN -0.662 7.608 8.310 -0.067 0.000 0.486 111 A N 0.032 122.832 122.820 -0.033 0.000 2.351 111 A HA 0.008 4.435 4.320 -0.033 -0.126 0.257 111 A C -0.599 176.981 177.584 -0.006 0.000 1.087 111 A CA -0.357 51.669 52.037 -0.019 0.000 0.798 111 A CB 0.877 19.876 19.000 -0.001 0.000 1.033 111 A HN 0.131 8.266 8.150 -0.026 0.000 0.488 112 A N 0.244 123.067 122.820 0.006 0.000 2.286 112 A HA 0.229 4.625 4.320 0.010 -0.070 0.286 112 A C -0.659 176.936 177.584 0.018 0.000 1.097 112 A CA -1.296 50.751 52.037 0.015 0.000 0.821 112 A CB 1.500 20.518 19.000 0.030 0.000 1.076 112 A HN 0.311 8.359 8.150 0.009 0.107 0.490 113 S N 0.560 116.270 115.700 0.016 0.000 2.430 113 S HA 0.113 4.593 4.470 0.015 0.000 0.289 113 S C -0.667 173.947 174.600 0.023 0.000 1.143 113 S CA -0.474 57.735 58.200 0.015 0.000 1.067 113 S CB 0.622 63.825 63.200 0.006 0.000 0.964 113 S HN 0.022 8.680 8.310 0.013 -0.341 0.485 114 L N 6.055 127.295 121.223 0.028 0.000 2.334 114 L HA 0.241 4.729 4.340 0.041 -0.124 0.277 114 L C -0.509 176.379 176.870 0.030 0.000 1.075 114 L CA -0.380 54.481 54.840 0.036 0.000 0.804 114 L CB 0.672 42.757 42.059 0.043 0.000 1.174 114 L HN 0.256 8.502 8.230 0.027 0.000 0.438 115 N N 3.433 122.153 118.700 0.033 0.000 3.526 115 N HA 0.183 4.938 4.740 0.025 0.000 0.328 115 N C -1.289 174.241 175.510 0.033 0.000 1.601 115 N CA -0.657 52.410 53.050 0.027 0.000 0.834 115 N CB 1.119 39.618 38.487 0.019 0.000 1.983 115 N HN 0.524 8.818 8.380 0.039 0.110 0.579 116 S N -2.030 113.687 115.700 0.028 0.000 2.423 116 S HA -0.209 4.283 4.470 0.037 0.000 0.231 116 S C 0.479 175.098 174.600 0.032 0.000 1.014 116 S CA 2.365 60.583 58.200 0.031 0.000 0.965 116 S CB 0.187 63.402 63.200 0.024 0.000 0.785 116 S HN 0.116 8.440 8.310 0.023 0.000 0.495 117 R N -0.430 120.086 120.500 0.028 0.000 2.210 117 R HA 0.012 4.365 4.340 0.021 0.000 0.203 117 R C -1.341 174.978 176.300 0.033 0.000 1.010 117 R CA 0.459 56.574 56.100 0.026 0.000 1.008 117 R CB 0.939 31.252 30.300 0.021 0.000 0.923 117 R HN -0.137 8.358 8.270 0.025 -0.210 0.469 118 V N -1.918 118.021 119.914 0.041 0.000 2.409 118 V HA 0.268 4.613 4.120 0.058 -0.190 0.290 118 V C -2.079 174.056 176.094 0.069 0.000 1.017 118 V CA -1.053 61.280 62.300 0.055 0.000 0.841 118 V CB 2.263 34.114 31.823 0.048 0.000 1.003 118 V HN -0.257 8.109 8.190 0.038 -0.153 0.426 119 A N 6.695 129.573 122.820 0.098 0.000 2.566 119 A HA 0.607 4.980 4.320 0.088 0.000 0.292 119 A C -3.028 174.649 177.584 0.155 0.000 1.112 119 A CA -1.473 50.632 52.037 0.112 0.000 0.707 119 A CB 2.876 21.943 19.000 0.113 0.000 1.302 119 A HN 0.105 8.200 8.150 0.108 0.120 0.409 120 S N -1.632 114.141 115.700 0.122 0.000 2.693 120 S HA 0.569 5.286 4.470 0.155 -0.154 0.276 120 S C -0.674 173.971 174.600 0.074 0.000 1.192 120 S CA -0.732 57.538 58.200 0.116 0.000 0.994 120 S CB 1.652 64.902 63.200 0.082 0.000 1.012 120 S HN -0.016 8.350 8.310 0.094 0.000 0.550 121 I N 0.322 120.891 120.570 -0.001 0.000 2.693 121 I HA 0.263 4.342 4.170 -0.151 0.000 0.303 121 I C -1.274 174.789 176.117 -0.091 0.000 1.025 121 I CA -1.618 59.581 61.300 -0.169 0.000 1.086 121 I CB 4.176 41.862 38.000 -0.524 0.000 1.268 121 I HN 0.158 8.387 8.210 0.031 0.000 0.440 122 S N 5.872 121.516 115.700 -0.094 0.000 2.584 122 S HA 0.234 4.686 4.470 -0.030 0.000 0.273 122 S C -0.737 173.834 174.600 -0.048 0.000 1.311 122 S CA -0.278 57.891 58.200 -0.052 0.000 1.034 122 S CB 0.851 64.025 63.200 -0.043 0.000 0.939 122 S HN 0.224 8.461 8.310 -0.123 0.000 0.513 123 L N 2.771 123.982 121.223 -0.021 0.000 2.399 123 L HA 0.178 4.520 4.340 0.002 0.000 0.266 123 L C -1.166 175.700 176.870 -0.006 0.000 1.114 123 L CA -2.038 52.801 54.840 -0.002 0.000 0.804 123 L CB 0.244 42.311 42.059 0.013 0.000 1.146 123 L HN 0.216 8.436 8.230 -0.016 0.000 0.451 124 P HA 0.099 4.508 4.420 -0.019 0.000 0.276 124 P C -1.199 176.099 177.300 -0.002 0.000 1.252 124 P CA -0.600 62.495 63.100 -0.008 0.000 0.802 124 P CB 0.719 32.413 31.700 -0.010 0.000 1.035 128 c N 0.597 119.170 118.600 -0.046 0.000 2.520 128 c HA 0.084 4.611 4.570 -0.072 0.000 0.376 128 c C -0.006 174.024 174.090 -0.101 0.000 1.268 128 c CA -0.684 55.602 56.329 -0.072 0.000 2.414 128 c CB 0.528 43.000 42.510 -0.064 0.000 2.521 128 c HN -0.033 8.173 8.230 -0.039 0.000 0.618 129 A N 1.019 123.742 122.820 -0.161 0.000 2.279 129 A HA 0.104 4.351 4.320 -0.121 0.000 0.303 129 A C -0.857 176.627 177.584 -0.166 0.000 1.108 129 A CA -0.400 51.535 52.037 -0.168 0.000 0.830 129 A CB 1.239 20.103 19.000 -0.226 0.000 1.106 129 A HN 0.228 8.253 8.150 -0.208 0.000 0.493 133 G N 1.165 109.928 108.800 -0.061 0.000 2.225 133 G HA2 -0.334 3.593 3.960 -0.054 0.000 0.254 133 G HA3 -0.334 3.600 3.960 -0.043 0.000 0.254 133 G C -0.063 174.800 174.900 -0.061 0.000 0.988 133 G CA 0.131 45.198 45.100 -0.054 0.000 0.625 133 G HN 0.824 8.961 8.290 -0.063 0.115 0.527 134 T N 3.133 117.639 114.554 -0.080 0.000 2.916 134 T HA -0.159 4.155 4.350 -0.062 0.000 0.303 134 T C -1.195 173.460 174.700 -0.074 0.000 1.025 134 T CA 2.346 64.398 62.100 -0.080 0.000 1.142 134 T CB 0.793 69.595 68.868 -0.111 0.000 0.947 134 T HN -0.653 7.451 8.240 -0.094 0.079 0.544 135 Q N 5.664 125.434 119.800 -0.050 0.000 2.243 135 Q HA 0.223 4.663 4.340 -0.040 -0.124 0.252 135 Q C -0.908 175.076 176.000 -0.028 0.000 0.909 135 Q CA 0.224 56.009 55.803 -0.030 0.000 0.922 135 Q CB 1.613 30.349 28.738 -0.004 0.000 1.215 135 Q HN 0.202 8.447 8.270 -0.042 0.000 0.427 136 c N 3.125 121.711 118.600 -0.023 0.000 2.971 136 c HA 0.647 5.331 4.570 -0.012 -0.121 0.310 136 c C -1.819 172.283 174.090 0.021 0.000 1.285 136 c CA -1.566 54.754 56.329 -0.016 0.000 1.593 136 c CB 4.178 46.658 42.510 -0.050 0.000 2.076 136 c HN 0.852 8.957 8.230 -0.022 0.112 0.472 137 L N 1.035 122.280 121.223 0.036 0.000 2.313 137 L HA 0.860 5.418 4.340 0.073 -0.174 0.283 137 L C -2.240 174.657 176.870 0.044 0.000 1.013 137 L CA -1.400 53.478 54.840 0.062 0.000 0.816 137 L CB 3.213 45.331 42.059 0.097 0.000 1.236 137 L HN 0.740 8.879 8.230 0.029 0.108 0.419 138 I N 7.251 127.833 120.570 0.021 0.000 2.474 138 I HA 0.882 5.310 4.170 0.033 -0.238 0.294 138 I C -1.378 174.716 176.117 -0.039 0.000 1.005 138 I CA -1.550 59.758 61.300 0.013 0.000 1.113 138 I CB 2.648 40.662 38.000 0.024 0.000 1.289 138 I HN 0.834 9.060 8.210 0.026 0.000 0.436 139 S N 2.882 118.550 115.700 -0.054 0.000 2.588 139 S HA 1.054 5.564 4.470 -0.222 -0.173 0.275 139 S C -1.144 173.345 174.600 -0.185 0.000 1.130 139 S CA -1.784 56.307 58.200 -0.182 0.000 0.855 139 S CB 3.743 66.794 63.200 -0.248 0.000 1.116 139 S HN -0.197 8.114 8.310 0.001 0.000 0.472 140 G N -1.021 107.579 108.800 -0.333 0.000 2.316 140 G HA2 0.151 3.905 3.960 -0.343 0.000 0.296 140 G HA3 0.151 4.235 3.960 -0.038 -0.147 0.296 140 G C -2.408 172.288 174.900 -0.340 0.000 1.399 140 G CA 0.559 45.497 45.100 -0.270 0.000 0.833 140 G HN 0.319 8.351 8.290 -0.431 0.000 0.565 141 W N 1.018 122.264 121.300 -0.089 0.000 3.015 141 W HA 0.373 4.973 4.660 -0.099 0.000 0.429 141 W C -0.330 176.223 176.519 0.055 0.000 0.976 141 W CA -1.001 56.247 57.345 -0.162 0.000 2.086 141 W CB 0.131 29.244 29.460 -0.579 0.000 1.125 141 W HN 0.582 8.946 8.180 0.306 0.000 0.721 142 G N 0.749 109.726 108.800 0.295 0.000 2.588 142 G HA2 -0.012 4.262 3.960 0.527 0.000 0.281 142 G HA3 -0.012 4.268 3.960 0.294 -0.144 0.281 142 G C -1.063 173.993 174.900 0.260 0.000 1.236 142 G CA -0.848 44.471 45.100 0.364 0.000 0.969 142 G HN -0.385 8.183 8.290 0.186 -0.166 0.504 143 N N -1.097 117.710 118.700 0.179 0.000 2.353 143 N HA -0.309 4.323 4.740 -0.504 -0.194 0.248 143 N C 0.577 176.038 175.510 -0.082 0.000 1.240 143 N CA 0.928 53.868 53.050 -0.182 0.000 0.862 143 N CB 0.755 39.119 38.487 -0.205 0.000 1.086 143 N HN 0.012 8.579 8.380 0.312 0.000 0.453 144 T N -0.746 113.733 114.554 -0.124 0.000 3.092 144 T HA 0.284 4.765 4.350 -0.033 -0.151 0.258 144 T C 0.324 174.989 174.700 -0.059 0.000 1.031 144 T CA 0.090 62.154 62.100 -0.060 0.000 0.925 144 T CB 1.064 69.905 68.868 -0.044 0.000 1.036 144 T HN 0.207 8.321 8.240 -0.211 0.000 0.544 145 K N 2.305 122.654 120.400 -0.085 0.000 2.270 145 K HA 0.287 4.584 4.320 -0.038 0.000 0.255 145 K C -0.519 176.058 176.600 -0.038 0.000 0.936 145 K CA -1.155 55.097 56.287 -0.058 0.000 0.809 145 K CB 2.664 35.121 32.500 -0.072 0.000 1.131 145 K HN -0.332 8.124 8.250 -0.132 -0.285 0.427 146 S N 1.049 116.739 115.700 -0.015 0.000 2.439 146 S HA -0.068 4.408 4.470 0.010 0.000 0.224 146 S C 0.169 174.772 174.600 0.004 0.000 1.029 146 S CA 1.859 60.062 58.200 0.003 0.000 0.946 146 S CB 0.815 64.022 63.200 0.012 0.000 0.797 146 S HN 0.179 8.480 8.310 -0.014 0.000 0.504 147 S N 1.674 117.371 115.700 -0.004 0.000 2.217 147 S HA 0.194 4.668 4.470 0.006 0.000 0.168 147 S C -0.781 173.813 174.600 -0.009 0.000 1.526 147 S CA -0.192 58.007 58.200 -0.001 0.000 1.150 147 S CB -0.726 62.475 63.200 0.002 0.000 1.158 147 S HN -0.388 7.894 8.310 -0.010 0.022 0.473 148 G N 0.615 109.407 108.800 -0.014 0.000 2.353 148 G HA2 -0.149 3.806 3.960 -0.007 0.000 0.424 148 G HA3 -0.149 3.797 3.960 -0.023 0.000 0.424 148 G C -2.761 172.102 174.900 -0.061 0.000 1.320 148 G CA -0.599 44.487 45.100 -0.023 0.000 0.995 148 G HN -0.583 7.701 8.290 -0.010 0.000 0.580 149 T N -3.918 110.591 114.554 -0.076 0.000 2.792 149 T HA 0.117 4.465 4.350 -0.301 -0.179 0.280 149 T C -1.384 173.169 174.700 -0.246 0.000 0.990 149 T CA -1.598 60.378 62.100 -0.207 0.000 0.960 149 T CB 1.968 70.800 68.868 -0.060 0.000 0.939 149 T HN -0.156 8.061 8.240 -0.038 0.000 0.439 150 S N 3.894 119.343 115.700 -0.420 0.000 2.720 150 S HA 0.239 4.646 4.470 -0.105 0.000 0.278 150 S C -2.196 172.183 174.600 -0.368 0.000 1.172 150 S CA -0.442 57.622 58.200 -0.227 0.000 1.019 150 S CB 1.352 64.484 63.200 -0.114 0.000 1.049 150 S HN 0.446 8.741 8.310 -0.590 -0.339 0.483 151 Y N 5.347 125.685 120.300 0.063 0.000 2.377 151 Y HA 0.283 4.888 4.550 0.092 0.000 0.339 151 Y C -1.005 174.942 175.900 0.078 0.000 1.011 151 Y CA -2.953 55.197 58.100 0.084 0.000 1.093 151 Y CB 1.368 39.889 38.460 0.100 0.000 1.201 151 Y HN 0.129 8.497 8.280 0.146 0.000 0.455 152 P HA 0.308 4.805 4.420 0.128 0.000 0.280 152 P C -1.631 175.796 177.300 0.212 0.000 1.272 152 P CA -1.208 61.994 63.100 0.170 0.000 0.819 152 P CB 1.987 33.757 31.700 0.116 0.000 1.122 153 D N -2.568 117.932 120.400 0.167 0.000 2.262 153 D HA -0.032 4.675 4.640 0.112 0.000 0.212 153 D C -0.706 175.745 176.300 0.252 0.000 0.964 153 D CA 1.808 55.897 54.000 0.149 0.000 0.875 153 D CB 0.849 41.705 40.800 0.094 0.000 0.996 153 D HN 0.392 8.840 8.370 0.130 0.000 0.497 154 V N -7.681 112.370 119.914 0.229 0.000 2.975 154 V HA 0.646 5.266 4.120 0.408 -0.255 0.318 154 V C -0.755 175.374 176.094 0.058 0.000 1.077 154 V CA -2.836 59.608 62.300 0.240 0.000 1.000 154 V CB 2.106 33.988 31.823 0.099 0.000 1.066 154 V HN -0.934 7.348 8.190 0.154 0.000 0.452 155 L N 1.557 122.683 121.223 -0.162 0.000 2.455 155 L HA -0.038 3.464 4.340 -1.397 0.000 0.272 155 L C -0.318 176.274 176.870 -0.463 0.000 1.174 155 L CA 0.721 55.107 54.840 -0.756 0.000 0.869 155 L CB 0.703 42.283 42.059 -0.797 0.000 1.130 155 L HN -0.177 8.272 8.230 0.051 -0.189 0.474 156 K N 5.470 125.575 120.400 -0.492 0.000 2.203 156 K HA 0.696 4.962 4.320 -0.367 -0.166 0.251 156 K C -1.163 175.171 176.600 -0.444 0.000 0.944 156 K CA -2.592 53.467 56.287 -0.381 0.000 0.829 156 K CB 2.406 34.757 32.500 -0.248 0.000 1.125 156 K HN -0.258 7.622 8.250 -0.618 0.000 0.430 157 c N -0.206 118.030 118.600 -0.606 0.000 2.634 157 c HA 0.969 5.480 4.570 -0.400 -0.182 0.313 157 c C -1.823 171.916 174.090 -0.585 0.000 1.198 157 c CA -0.712 55.211 56.329 -0.677 0.000 1.605 157 c CB 3.433 45.355 42.510 -0.980 0.000 2.196 157 c HN 0.817 8.618 8.230 -0.715 0.000 0.486 158 L N 0.735 121.842 121.223 -0.194 0.000 2.493 158 L HA 0.397 4.833 4.340 0.161 0.000 0.265 158 L C -2.437 174.526 176.870 0.155 0.000 0.954 158 L CA -0.040 54.836 54.840 0.060 0.000 0.844 158 L CB 4.473 46.569 42.059 0.062 0.000 1.302 158 L HN 0.936 9.077 8.230 -0.148 0.000 0.405 159 K N 6.160 126.710 120.400 0.249 0.000 2.183 159 K HA 0.844 5.465 4.320 0.145 -0.214 0.274 159 K C -0.905 175.833 176.600 0.230 0.000 1.009 159 K CA -1.423 54.983 56.287 0.198 0.000 0.888 159 K CB 1.117 33.729 32.500 0.187 0.000 1.078 159 K HN 0.315 8.749 8.250 0.305 0.000 0.459 160 A N 4.091 126.982 122.820 0.117 0.000 2.520 160 A HA 0.640 4.965 4.320 0.009 0.000 0.298 160 A C -3.395 174.131 177.584 -0.097 0.000 1.051 160 A CA -2.683 49.357 52.037 0.005 0.000 0.690 160 A CB 3.125 22.130 19.000 0.009 0.000 1.281 160 A HN 0.990 9.073 8.150 0.067 0.107 0.402 161 P HA 0.698 5.270 4.420 -0.097 -0.211 0.284 161 P C -1.091 176.139 177.300 -0.115 0.000 1.258 161 P CA -1.374 61.640 63.100 -0.144 0.000 0.824 161 P CB 1.516 33.127 31.700 -0.148 0.000 1.038 162 I N 0.166 120.687 120.570 -0.082 0.000 2.441 162 I HA 0.012 4.344 4.170 0.072 -0.119 0.287 162 I C 0.118 176.222 176.117 -0.021 0.000 1.049 162 I CA 0.271 61.553 61.300 -0.029 0.000 1.381 162 I CB 0.365 38.268 38.000 -0.161 0.000 1.409 162 I HN 0.144 8.296 8.210 -0.096 0.000 0.523 163 L N 6.751 127.996 121.223 0.036 0.000 2.416 163 L HA 0.246 4.578 4.340 -0.014 0.000 0.262 163 L C -0.407 176.482 176.870 0.031 0.000 1.093 163 L CA -0.960 53.891 54.840 0.019 0.000 0.801 163 L CB 0.668 42.748 42.059 0.035 0.000 1.191 163 L HN 0.430 8.617 8.230 0.110 0.109 0.459 164 S N -1.179 114.532 115.700 0.019 0.000 2.593 164 S HA -0.041 4.436 4.470 0.012 0.000 0.269 164 S C 0.366 174.992 174.600 0.044 0.000 1.334 164 S CA -0.481 57.731 58.200 0.020 0.000 1.015 164 S CB 1.311 64.517 63.200 0.011 0.000 0.912 164 S HN -0.010 8.306 8.310 0.010 0.000 0.541 165 D N 1.685 122.111 120.400 0.044 0.000 2.178 165 D HA -0.233 4.458 4.640 0.084 0.000 0.201 165 D C 1.522 177.855 176.300 0.055 0.000 0.980 165 D CA 3.593 57.630 54.000 0.061 0.000 0.842 165 D CB -0.384 40.448 40.800 0.052 0.000 0.948 165 D HN 0.593 8.981 8.370 0.031 0.000 0.472 166 S N -1.340 114.383 115.700 0.038 0.000 2.368 166 S HA -0.269 4.223 4.470 0.036 0.000 0.224 166 S C 2.082 176.701 174.600 0.032 0.000 1.029 166 S CA 3.271 61.491 58.200 0.032 0.000 0.988 166 S CB -0.818 62.395 63.200 0.021 0.000 0.838 166 S HN 0.031 8.345 8.310 0.031 0.014 0.462 167 S N 3.776 119.494 115.700 0.029 0.000 2.383 167 S HA -0.235 4.242 4.470 0.012 0.000 0.227 167 S C 1.856 176.476 174.600 0.033 0.000 1.026 167 S CA 4.173 62.386 58.200 0.022 0.000 0.981 167 S CB -0.116 63.094 63.200 0.016 0.000 0.818 167 S HN -0.585 7.742 8.310 0.029 0.000 0.472 168 c N 3.448 122.087 118.600 0.065 0.000 2.432 168 c HA -0.314 4.329 4.570 0.123 0.000 0.277 168 c C 1.655 175.827 174.090 0.137 0.000 1.249 168 c CA 2.668 59.066 56.329 0.115 0.000 1.725 168 c CB -1.758 40.828 42.510 0.128 0.000 2.028 168 c HN -0.163 8.105 8.230 0.064 0.000 0.477 169 K N -0.955 119.509 120.400 0.107 0.000 2.148 169 K HA -0.332 4.080 4.320 0.154 0.000 0.204 169 K C 2.454 179.099 176.600 0.074 0.000 1.050 169 K CA 2.906 59.258 56.287 0.108 0.000 0.942 169 K CB -0.308 32.240 32.500 0.081 0.000 0.724 169 K HN 0.085 8.388 8.250 0.088 0.000 0.446 170 S N -1.141 114.582 115.700 0.039 0.000 2.383 170 S HA -0.231 4.247 4.470 0.013 0.000 0.227 170 S C 1.350 175.927 174.600 -0.039 0.000 1.026 170 S CA 2.676 60.879 58.200 0.005 0.000 0.981 170 S CB 0.030 63.229 63.200 -0.002 0.000 0.818 170 S HN -0.375 7.855 8.310 0.041 0.104 0.472 171 A N -0.386 122.384 122.820 -0.083 0.000 1.929 171 A HA -0.109 4.057 4.320 -0.256 0.000 0.216 171 A C -0.122 177.189 177.584 -0.455 0.000 1.176 171 A CA 2.048 53.906 52.037 -0.298 0.000 0.628 171 A CB 0.913 19.668 19.000 -0.408 0.000 0.816 171 A HN -0.546 7.476 8.150 -0.032 0.109 0.444 172 Y N -5.716 114.619 120.300 0.058 0.000 2.495 172 Y HA 0.492 5.113 4.550 0.119 0.000 0.362 172 Y C -2.387 173.573 175.900 0.100 0.000 0.956 172 Y CA -3.607 54.559 58.100 0.111 0.000 1.127 172 Y CB -0.237 38.327 38.460 0.173 0.000 1.173 172 Y HN -0.362 7.969 8.280 0.085 0.000 0.639 173 P HA -0.059 4.532 4.420 0.109 -0.106 0.265 173 P C 0.797 178.168 177.300 0.119 0.000 1.193 173 P CA 1.206 64.373 63.100 0.112 0.000 0.765 173 P CB 0.203 31.941 31.700 0.063 0.000 0.823 174 G N 3.273 112.133 108.800 0.099 0.000 2.220 174 G HA2 -0.383 3.613 3.960 0.059 0.000 0.269 174 G HA3 -0.383 3.612 3.960 0.058 0.000 0.269 174 G C 0.115 175.066 174.900 0.084 0.000 0.977 174 G CA 0.812 45.957 45.100 0.074 0.000 0.634 174 G HN 0.334 8.680 8.290 0.093 0.000 0.539 175 Q N -1.874 118.014 119.800 0.146 0.000 2.217 175 Q HA 0.082 4.457 4.340 0.058 0.000 0.217 175 Q C -0.589 175.543 176.000 0.219 0.000 0.844 175 Q CA -0.433 55.462 55.803 0.152 0.000 0.957 175 Q CB 1.332 30.199 28.738 0.215 0.000 1.127 175 Q HN -0.331 7.965 8.270 0.192 0.089 0.503 176 I N 0.364 121.054 120.570 0.200 0.000 2.321 176 I HA 0.047 4.354 4.170 0.228 0.000 0.291 176 I C -0.423 175.769 176.117 0.125 0.000 0.998 176 I CA -2.275 59.135 61.300 0.182 0.000 1.227 176 I CB -0.771 37.328 38.000 0.165 0.000 1.368 176 I HN -0.477 7.839 8.210 0.177 0.000 0.466 177 T N 2.545 117.170 114.554 0.119 0.000 2.910 177 T HA 0.378 4.767 4.350 0.066 0.000 0.279 177 T C 0.824 175.574 174.700 0.083 0.000 0.989 177 T CA -2.090 60.058 62.100 0.081 0.000 0.968 177 T CB 2.228 71.136 68.868 0.066 0.000 1.135 177 T HN -0.400 7.927 8.240 0.145 0.000 0.562 178 S N -1.999 113.735 115.700 0.057 0.000 2.555 178 S HA -0.143 4.364 4.470 0.062 0.000 0.230 178 S C 0.178 174.816 174.600 0.064 0.000 0.978 178 S CA 1.836 60.066 58.200 0.050 0.000 0.934 178 S CB -0.183 63.027 63.200 0.016 0.000 0.766 178 S HN 0.250 8.585 8.310 0.040 0.000 0.533 179 N N -0.366 118.385 118.700 0.086 0.000 2.251 179 N HA 0.200 5.007 4.740 0.111 0.000 0.217 179 N C -1.764 173.869 175.510 0.205 0.000 1.124 179 N CA -0.088 53.047 53.050 0.141 0.000 0.843 179 N CB 0.875 39.469 38.487 0.179 0.000 1.024 179 N HN -0.646 7.702 8.380 0.083 0.082 0.501 180 M N -1.168 118.537 119.600 0.175 0.000 2.619 180 M HA 0.882 5.644 4.480 0.105 -0.219 0.297 180 M C -2.354 174.067 176.300 0.202 0.000 1.229 180 M CA -0.422 54.959 55.300 0.135 0.000 0.860 180 M CB 5.222 37.874 32.600 0.087 0.000 1.741 180 M HN -0.712 7.578 8.290 0.152 0.091 0.462 181 F N -6.270 113.725 119.950 0.074 0.000 2.668 181 F HA 0.605 5.163 4.527 0.051 0.000 0.309 181 F C -2.857 172.998 175.800 0.091 0.000 1.117 181 F CA -1.600 56.441 58.000 0.068 0.000 0.951 181 F CB 2.313 41.349 39.000 0.062 0.000 1.323 181 F HN 0.116 8.281 8.300 -0.225 0.000 0.451 182 c N 0.048 118.810 118.600 0.271 0.000 2.391 182 c HA 1.011 5.838 4.570 0.073 -0.213 0.339 182 c C -1.132 173.147 174.090 0.314 0.000 1.205 182 c CA -1.108 55.330 56.329 0.182 0.000 1.937 182 c CB 2.743 45.330 42.510 0.129 0.000 2.341 182 c HN 0.939 9.369 8.230 0.333 0.000 0.516 183 A N 3.109 126.100 122.820 0.284 0.000 2.446 183 A HA 0.712 5.239 4.320 0.087 -0.155 0.282 183 A C -2.154 175.484 177.584 0.090 0.000 1.102 183 A CA -0.623 51.498 52.037 0.140 0.000 0.737 183 A CB 2.751 21.742 19.000 -0.015 0.000 1.212 183 A HN 0.493 8.850 8.150 0.346 0.000 0.434 184 Y N 2.954 123.290 120.300 0.060 0.000 2.436 184 Y HA 0.004 4.576 4.550 0.037 0.000 0.343 184 Y C 1.100 177.019 175.900 0.032 0.000 1.008 184 Y CA -0.026 58.098 58.100 0.041 0.000 1.241 184 Y CB 0.162 38.644 38.460 0.037 0.000 1.153 184 Y HN 0.342 8.760 8.280 0.230 0.000 0.521 185 L N 4.108 125.406 121.223 0.125 0.000 2.275 185 L HA -0.342 4.031 4.340 0.054 0.000 0.215 185 L C 1.136 178.052 176.870 0.077 0.000 1.119 185 L CA 2.298 57.181 54.840 0.072 0.000 0.790 185 L CB -0.469 41.612 42.059 0.037 0.000 0.919 185 L HN 0.519 8.806 8.230 0.095 0.000 0.443 186 E N -2.261 118.005 120.200 0.110 0.000 2.418 186 E HA -0.127 4.252 4.350 0.049 0.000 0.197 186 E C 0.811 177.447 176.600 0.060 0.000 1.026 186 E CA 0.222 56.665 56.400 0.072 0.000 0.862 186 E CB -0.449 29.290 29.700 0.064 0.000 0.799 186 E HN 0.086 8.499 8.360 0.161 0.044 0.518 187 G N 0.930 109.783 108.800 0.089 0.000 3.405 187 G HA2 -0.387 3.649 3.960 0.088 0.000 0.676 187 G HA3 -0.387 3.624 3.960 0.047 -0.023 0.676 187 G C -0.835 174.089 174.900 0.039 0.000 1.039 187 G CA -0.134 45.007 45.100 0.068 0.000 0.855 187 G HN -0.497 7.701 8.290 0.136 0.174 0.443 188 K N 1.275 121.675 120.400 -0.000 0.000 6.999 188 K HA -0.604 3.982 4.320 0.013 -0.259 0.712 188 K C -1.355 175.346 176.600 0.168 0.000 2.465 188 K CA 0.456 56.759 56.287 0.026 0.000 1.780 188 K CB -0.091 32.304 32.500 -0.175 0.000 1.897 188 K HN 0.287 8.559 8.250 0.038 0.000 0.299 189 D N 0.426 120.910 120.400 0.140 0.000 2.808 189 D HA 0.276 5.047 4.640 0.217 0.000 0.294 189 D C -1.979 174.397 176.300 0.127 0.000 1.278 189 D CA -0.475 53.622 54.000 0.162 0.000 0.756 189 D CB 4.176 45.053 40.800 0.129 0.000 1.271 189 D HN 0.343 8.770 8.370 0.096 0.000 0.425 190 S N -1.628 114.159 115.700 0.145 0.000 2.707 190 S HA 0.363 4.957 4.470 0.103 -0.062 0.276 190 S C -1.384 173.269 174.600 0.087 0.000 1.179 190 S CA -0.581 57.693 58.200 0.124 0.000 0.992 190 S CB 1.805 65.114 63.200 0.181 0.000 1.030 190 S HN 0.263 8.677 8.310 0.173 0.000 0.554 191 c N -1.634 117.023 118.600 0.095 0.000 3.316 191 c HA 0.277 4.896 4.570 0.082 0.000 0.360 191 c C -1.547 172.630 174.090 0.145 0.000 1.560 191 c CA -0.632 55.756 56.329 0.098 0.000 1.229 191 c CB 2.930 45.487 42.510 0.078 0.000 1.823 191 c HN 0.305 8.907 8.230 0.110 -0.305 0.440 192 Q N 1.798 121.696 119.800 0.163 0.000 2.304 192 Q HA -0.340 4.130 4.340 0.216 0.000 0.301 192 Q C 0.945 177.121 176.000 0.294 0.000 1.063 192 Q CA 2.205 58.141 55.803 0.222 0.000 0.947 192 Q CB 0.676 29.546 28.738 0.220 0.000 1.201 192 Q HN 0.507 8.858 8.270 0.135 0.000 0.389 193 G N 6.045 115.017 108.800 0.287 0.000 2.279 193 G HA2 -0.408 3.712 3.960 0.267 0.000 0.223 193 G HA3 -0.408 3.822 3.960 0.449 0.000 0.223 193 G C 0.666 175.770 174.900 0.339 0.000 1.015 193 G CA 1.070 46.375 45.100 0.341 0.000 0.621 193 G HN 0.835 9.278 8.290 0.255 0.000 0.506 194 D N 1.686 122.239 120.400 0.255 0.000 2.346 194 D HA 0.085 4.873 4.640 0.247 0.000 0.206 194 D C 0.088 176.484 176.300 0.159 0.000 1.001 194 D CA 0.874 54.999 54.000 0.208 0.000 0.871 194 D CB 0.671 41.564 40.800 0.155 0.000 0.943 194 D HN 0.182 8.587 8.370 0.234 0.106 0.518 195 S N -0.371 115.418 115.700 0.149 0.000 2.573 195 S HA -0.583 4.104 4.470 0.119 -0.146 0.297 195 S C 0.940 175.545 174.600 0.009 0.000 1.280 195 S CA 2.600 60.858 58.200 0.097 0.000 1.061 195 S CB 0.071 63.336 63.200 0.109 0.000 0.812 195 S HN -0.447 7.926 8.310 0.181 0.046 0.500 196 G N 4.597 113.397 108.800 0.000 0.000 2.253 196 G HA2 -0.456 3.560 3.960 -0.018 0.000 0.251 196 G HA3 -0.456 3.578 3.960 -0.055 -0.107 0.251 196 G C -0.237 174.698 174.900 0.058 0.000 0.998 196 G CA 0.194 45.288 45.100 -0.010 0.000 0.621 196 G HN 0.860 9.063 8.290 0.033 0.107 0.524 197 G N 0.783 109.641 108.800 0.096 0.000 2.588 197 G HA2 0.394 4.501 3.960 0.125 0.000 0.281 197 G HA3 0.394 4.429 3.960 0.125 0.000 0.281 197 G C -2.717 172.270 174.900 0.146 0.000 1.236 197 G CA -2.030 43.145 45.100 0.124 0.000 0.969 197 G HN -0.239 8.022 8.290 0.099 0.089 0.504 198 P HA 0.369 5.001 4.420 0.154 -0.120 0.286 198 P C -1.675 175.705 177.300 0.134 0.000 1.261 198 P CA -0.917 62.288 63.100 0.175 0.000 0.821 198 P CB 1.697 33.575 31.700 0.297 0.000 1.013 199 V N 2.435 122.409 119.914 0.099 0.000 2.419 199 V HA 0.358 4.662 4.120 0.011 -0.178 0.287 199 V C -1.019 175.097 176.094 0.036 0.000 1.017 199 V CA -0.497 61.822 62.300 0.032 0.000 0.844 199 V CB 1.765 33.582 31.823 -0.010 0.000 1.011 199 V HN -0.140 8.114 8.190 0.107 0.000 0.429 200 V N 8.484 128.412 119.914 0.024 0.000 2.459 200 V HA 0.660 4.944 4.120 -0.053 -0.196 0.295 200 V C -1.440 174.640 176.094 -0.023 0.000 1.029 200 V CA -1.335 60.950 62.300 -0.026 0.000 0.874 200 V CB 3.262 35.054 31.823 -0.052 0.000 0.985 200 V HN 0.770 8.988 8.190 0.047 0.000 0.438 201 c N 7.278 125.850 118.600 -0.047 0.000 2.431 201 c HA 0.591 5.142 4.570 -0.032 0.000 0.321 201 c C 0.093 174.154 174.090 -0.048 0.000 1.202 201 c CA -1.238 55.062 56.329 -0.049 0.000 1.398 201 c CB 2.190 44.651 42.510 -0.082 0.000 2.047 201 c HN 0.846 9.040 8.230 -0.060 0.000 0.465 202 S N 5.459 121.140 115.700 -0.033 0.000 3.559 202 S HA -0.341 4.118 4.470 -0.018 0.000 0.369 202 S C 0.441 175.021 174.600 -0.034 0.000 0.987 202 S CA 1.001 59.183 58.200 -0.029 0.000 1.187 202 S CB -1.337 61.843 63.200 -0.034 0.000 0.914 202 S HN 1.113 9.409 8.310 -0.023 0.000 0.480 203 G N -4.896 103.882 108.800 -0.037 0.000 2.166 203 G HA2 -0.366 3.555 3.960 -0.064 0.000 0.260 203 G HA3 -0.366 3.570 3.960 -0.040 0.000 0.260 203 G C -0.791 174.054 174.900 -0.091 0.000 0.986 203 G CA 0.547 45.612 45.100 -0.058 0.000 0.683 203 G HN 0.330 8.596 8.290 -0.027 0.008 0.527 210 Q N 1.153 120.970 119.800 0.029 0.000 2.373 210 Q HA 0.165 4.532 4.340 0.045 0.000 0.210 210 Q C -0.169 175.981 176.000 0.249 0.000 0.913 210 Q CA 0.371 56.205 55.803 0.052 0.000 0.911 210 Q CB 2.467 31.152 28.738 -0.089 0.000 1.040 210 Q HN 0.242 8.519 8.270 0.012 0.000 0.521 211 G N -3.524 105.452 108.800 0.294 0.000 2.694 211 G HA2 0.613 5.081 3.960 0.443 0.000 0.290 211 G HA3 0.613 4.880 3.960 0.513 0.000 0.290 211 G C -3.274 171.760 174.900 0.223 0.000 1.386 211 G CA -0.708 44.626 45.100 0.390 0.000 0.872 211 G HN -0.345 8.054 8.290 0.182 0.000 0.475 212 I N -1.307 119.390 120.570 0.211 0.000 2.498 212 I HA 0.587 5.075 4.170 0.170 -0.215 0.290 212 I C -0.424 175.830 176.117 0.227 0.000 1.032 212 I CA -1.439 59.965 61.300 0.173 0.000 1.073 212 I CB 4.234 42.293 38.000 0.099 0.000 1.251 212 I HN -0.369 7.961 8.210 0.201 0.000 0.426 213 V N 7.189 127.249 119.914 0.243 0.000 2.493 213 V HA -0.204 4.005 4.120 0.148 0.000 0.292 213 V C -1.152 174.960 176.094 0.031 0.000 1.016 213 V CA 2.214 64.611 62.300 0.162 0.000 1.097 213 V CB -0.937 30.994 31.823 0.179 0.000 0.947 213 V HN 0.382 8.697 8.190 0.209 0.000 0.479 214 S N 7.615 123.236 115.700 -0.131 0.000 3.393 214 S HA 0.317 4.966 4.470 0.298 0.000 0.209 214 S C -1.067 173.639 174.600 0.177 0.000 0.897 214 S CA 0.772 59.040 58.200 0.115 0.000 0.825 214 S CB 2.688 65.948 63.200 0.100 0.000 0.898 214 S HN -0.077 7.942 8.310 -0.485 0.000 0.615 215 W N -4.018 117.133 121.300 -0.248 0.000 3.069 215 W HA 0.283 4.846 4.660 -0.162 0.000 0.390 215 W C -2.807 173.541 176.519 -0.286 0.000 1.130 215 W CA -0.901 56.305 57.345 -0.233 0.000 1.138 215 W CB 0.770 30.088 29.460 -0.236 0.000 1.497 215 W HN -0.211 7.654 8.180 -0.524 0.000 0.600 216 G N -3.372 105.477 108.800 0.082 0.000 2.322 216 G HA2 0.095 3.755 3.960 -0.501 0.000 0.295 216 G HA3 0.095 3.986 3.960 -0.115 0.000 0.295 216 G C -2.128 172.916 174.900 0.241 0.000 1.369 216 G CA 0.070 45.120 45.100 -0.084 0.000 0.821 216 G HN -0.038 8.512 8.290 0.434 0.000 0.536 220 c N 1.831 120.471 118.600 0.066 0.000 3.465 220 c HA 0.312 5.069 4.570 0.066 -0.147 0.193 220 c C -1.426 172.697 174.090 0.056 0.000 1.515 220 c CA -0.874 55.492 56.329 0.061 0.000 1.340 220 c CB -1.231 41.311 42.510 0.053 0.000 1.928 220 c HN 0.326 8.590 8.230 0.058 0.000 0.510 221 Q N -1.766 118.068 119.800 0.057 0.000 2.889 221 Q HA 0.134 4.495 4.340 0.036 0.000 0.262 221 Q C -1.567 174.456 176.000 0.039 0.000 0.966 221 Q CA -0.740 55.089 55.803 0.043 0.000 0.858 221 Q CB 2.341 31.105 28.738 0.043 0.000 1.845 221 Q HN 0.057 8.368 8.270 0.067 0.000 0.464 222 K N 3.896 124.312 120.400 0.026 0.000 2.448 222 K HA -0.261 4.210 4.320 0.035 -0.130 0.278 222 K C 0.245 176.843 176.600 -0.002 0.000 1.009 222 K CA 0.763 57.063 56.287 0.020 0.000 0.995 222 K CB 0.002 32.511 32.500 0.014 0.000 0.917 222 K HN 0.264 8.528 8.250 0.023 0.000 0.481 223 N N 2.175 120.871 118.700 -0.007 0.000 2.713 223 N HA -0.475 4.242 4.740 -0.039 0.000 0.251 223 N C -1.684 173.754 175.510 -0.120 0.000 1.117 223 N CA 1.771 54.790 53.050 -0.052 0.000 0.770 223 N CB -0.400 38.050 38.487 -0.061 0.000 1.137 223 N HN 0.742 9.004 8.380 0.015 0.127 0.566 224 K N -2.634 117.726 120.400 -0.066 0.000 2.842 224 K HA 0.546 4.675 4.320 -0.317 0.000 0.176 224 K C -2.438 174.214 176.600 0.087 0.000 1.080 224 K CA -3.481 52.764 56.287 -0.069 0.000 0.954 224 K CB -0.109 32.401 32.500 0.015 0.000 1.203 224 K HN -0.732 7.457 8.250 -0.008 0.056 0.611 225 P HA -0.028 4.458 4.420 0.111 0.000 0.275 225 P C -0.593 176.758 177.300 0.087 0.000 1.266 225 P CA -0.464 62.707 63.100 0.118 0.000 0.793 225 P CB 1.180 32.940 31.700 0.100 0.000 1.074 226 G N -2.433 106.383 108.800 0.028 0.000 2.476 226 G HA2 0.326 4.073 3.960 -0.355 0.000 0.269 226 G HA3 0.326 4.134 3.960 -0.253 0.000 0.269 226 G C -1.786 172.799 174.900 -0.525 0.000 1.195 226 G CA -0.748 44.185 45.100 -0.278 0.000 0.843 226 G HN -0.384 7.982 8.290 0.127 0.000 0.545 227 V N 1.944 121.210 119.914 -1.080 0.000 2.495 227 V HA 0.649 4.524 4.120 -0.702 -0.176 0.298 227 V C -0.975 174.357 176.094 -1.269 0.000 1.031 227 V CA -1.019 60.593 62.300 -1.146 0.000 0.871 227 V CB 2.026 32.713 31.823 -1.894 0.000 0.988 227 V HN 0.565 8.077 8.190 -1.130 0.000 0.432 228 Y N 5.346 125.224 120.300 -0.703 0.000 2.485 228 Y HA 0.593 5.048 4.550 -0.387 -0.137 0.345 228 Y C 0.253 175.865 175.900 -0.480 0.000 0.998 228 Y CA -2.282 55.419 58.100 -0.665 0.000 1.059 228 Y CB 3.745 41.522 38.460 -1.140 0.000 1.234 228 Y HN 1.027 8.924 8.280 -0.639 0.000 0.461 229 T N 4.811 119.337 114.554 -0.046 0.000 2.851 229 T HA 0.033 4.603 4.350 0.112 -0.153 0.298 229 T C -0.687 174.163 174.700 0.251 0.000 0.977 229 T CA 1.375 63.532 62.100 0.095 0.000 1.126 229 T CB 0.505 69.410 68.868 0.062 0.000 0.916 229 T HN 0.499 8.742 8.240 0.005 0.000 0.529 230 K N 8.353 128.982 120.400 0.381 0.000 2.171 230 K HA 0.067 4.817 4.320 0.718 0.000 0.274 230 K C 1.058 177.918 176.600 0.433 0.000 1.110 230 K CA -0.416 56.171 56.287 0.499 0.000 0.952 230 K CB -0.372 32.367 32.500 0.398 0.000 1.309 230 K HN 0.261 8.604 8.250 0.337 0.109 0.414 231 V N 6.250 126.397 119.914 0.389 0.000 2.380 231 V HA -0.556 3.848 4.120 0.473 0.000 0.251 231 V C 1.452 177.710 176.094 0.273 0.000 1.063 231 V CA 3.985 66.496 62.300 0.352 0.000 1.055 231 V CB -0.300 31.660 31.823 0.229 0.000 0.657 231 V HN 0.318 8.750 8.190 0.403 0.000 0.455 232 c N -3.470 115.225 118.600 0.158 0.000 2.401 232 c HA -0.245 4.370 4.570 0.075 0.000 0.286 232 c C 1.744 175.856 174.090 0.036 0.000 1.332 232 c CA 1.835 58.209 56.329 0.075 0.000 1.795 232 c CB -2.089 40.434 42.510 0.021 0.000 1.922 232 c HN 0.480 8.800 8.230 0.150 0.000 0.520 233 N N 0.076 118.769 118.700 -0.012 0.000 2.467 233 N HA -0.089 4.555 4.740 -0.159 0.000 0.184 233 N C -0.034 175.233 175.510 -0.404 0.000 1.106 233 N CA 1.171 54.071 53.050 -0.249 0.000 0.892 233 N CB -0.205 38.005 38.487 -0.461 0.000 0.969 233 N HN -0.416 7.966 8.380 0.073 0.042 0.454 234 Y N -4.844 115.524 120.300 0.114 0.000 2.531 234 Y HA 0.117 4.800 4.550 0.222 0.000 0.249 234 Y C 0.245 176.280 175.900 0.225 0.000 1.168 234 Y CA -0.263 57.959 58.100 0.204 0.000 1.226 234 Y CB 0.002 38.600 38.460 0.230 0.000 1.177 234 Y HN -0.076 8.122 8.280 0.191 0.196 0.527 235 V N 1.147 121.198 119.914 0.229 0.000 2.287 235 V HA -0.594 3.622 4.120 0.159 0.000 0.248 235 V C 1.313 177.480 176.094 0.122 0.000 1.053 235 V CA 5.104 67.495 62.300 0.152 0.000 1.027 235 V CB -0.555 31.317 31.823 0.082 0.000 0.646 235 V HN -0.847 7.439 8.190 0.161 0.000 0.447 236 S N -0.120 115.652 115.700 0.120 0.000 2.368 236 S HA -0.339 4.154 4.470 0.037 0.000 0.225 236 S C 1.631 176.302 174.600 0.118 0.000 1.030 236 S CA 3.694 61.947 58.200 0.088 0.000 0.999 236 S CB -0.537 62.711 63.200 0.080 0.000 0.844 236 S HN 0.163 8.541 8.310 0.114 0.000 0.459 237 W N 3.986 125.323 121.300 0.062 0.000 2.355 237 W HA -0.192 4.494 4.660 0.042 0.000 0.309 237 W C 1.459 177.991 176.519 0.022 0.000 1.206 237 W CA 3.149 60.541 57.345 0.078 0.000 1.284 237 W CB -0.052 29.538 29.460 0.218 0.000 1.145 237 W HN -0.418 7.990 8.180 0.380 0.000 0.502 238 I N -1.041 119.549 120.570 0.034 0.000 2.127 238 I HA -0.774 3.037 4.170 -0.599 0.000 0.241 238 I C 1.913 177.811 176.117 -0.365 0.000 1.075 238 I CA 4.609 65.751 61.300 -0.264 0.000 1.334 238 I CB -0.247 37.748 38.000 -0.008 0.000 1.040 238 I HN 0.291 8.715 8.210 0.357 0.000 0.405 239 K N -1.034 119.247 120.400 -0.199 0.000 2.032 239 K HA -0.443 3.730 4.320 -0.246 0.000 0.209 239 K C 2.767 179.217 176.600 -0.251 0.000 1.048 239 K CA 3.813 59.975 56.287 -0.208 0.000 0.927 239 K CB -0.372 32.064 32.500 -0.107 0.000 0.712 239 K HN 0.016 8.214 8.250 -0.088 0.000 0.441 240 Q N -2.224 117.441 119.800 -0.226 0.000 2.124 240 Q HA -0.289 3.955 4.340 -0.160 0.000 0.202 240 Q C 2.700 178.510 176.000 -0.318 0.000 0.977 240 Q CA 3.370 59.045 55.803 -0.213 0.000 0.850 240 Q CB 0.018 28.674 28.738 -0.136 0.000 0.901 240 Q HN 0.247 8.303 8.270 -0.179 0.107 0.429 241 T N 2.630 116.868 114.554 -0.527 0.000 2.777 241 T HA -0.237 3.860 4.350 -0.421 0.000 0.266 241 T C 2.237 176.609 174.700 -0.547 0.000 1.040 241 T CA 4.917 66.660 62.100 -0.594 0.000 1.141 241 T CB -0.109 68.135 68.868 -1.040 0.000 0.868 241 T HN 0.105 7.865 8.240 -0.624 0.105 0.444 242 I N 1.096 121.241 120.570 -0.709 0.000 2.252 242 I HA -0.446 2.966 4.170 -1.263 0.000 0.245 242 I C 1.785 177.679 176.117 -0.371 0.000 1.102 242 I CA 3.760 64.533 61.300 -0.879 0.000 1.385 242 I CB -0.389 36.997 38.000 -1.024 0.000 1.064 242 I HN 0.174 7.971 8.210 -0.689 0.000 0.414 243 A N -0.334 122.319 122.820 -0.279 0.000 1.972 243 A HA -0.221 4.036 4.320 -0.106 0.000 0.219 243 A C 1.271 178.804 177.584 -0.085 0.000 1.169 243 A CA 2.815 54.768 52.037 -0.141 0.000 0.635 243 A CB -0.507 18.419 19.000 -0.125 0.000 0.810 243 A HN 0.163 8.118 8.150 -0.325 0.000 0.446 244 S N -4.635 111.002 115.700 -0.106 0.000 2.597 244 S HA 0.102 4.556 4.470 -0.027 0.000 0.224 244 S C -0.881 173.721 174.600 0.004 0.000 0.955 244 S CA 0.630 58.801 58.200 -0.048 0.000 0.933 244 S CB 0.914 64.077 63.200 -0.063 0.000 0.788 244 S HN -0.377 7.704 8.310 -0.173 0.125 0.488 245 N N 0.000 118.731 118.700 0.052 0.000 1.763 245 N HA 0.000 4.814 4.740 0.122 0.000 0.220 245 N CA 0.000 53.160 53.050 0.183 0.000 0.885 245 N CB 0.000 38.671 38.487 0.306 0.000 1.341 245 N HN 0.000 8.221 8.380 0.015 0.168 0.667