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 1o3b_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 4.176 4.170 0.009 0.000 0.288 16 I C 0.000 176.101 176.117 -0.026 0.000 1.063 16 I CA 0.000 61.287 61.300 -0.022 0.000 1.566 16 I CB 0.000 37.953 38.000 -0.079 0.000 1.214 17 V N 5.493 125.403 119.914 -0.006 0.000 2.483 17 V HA 0.250 4.485 4.120 -0.023 -0.129 0.295 17 V C 0.616 176.706 176.094 -0.008 0.000 1.035 17 V CA -1.664 60.629 62.300 -0.010 0.000 0.896 17 V CB 1.307 33.131 31.823 0.001 0.000 0.986 17 V HN 0.868 9.068 8.190 0.016 0.000 0.447 18 G N 6.452 115.243 108.800 -0.016 0.000 2.168 18 G HA2 -0.400 3.549 3.960 -0.018 0.000 0.257 18 G HA3 -0.400 3.712 3.960 -0.039 -0.175 0.257 18 G C -0.602 174.297 174.900 -0.001 0.000 0.997 18 G CA 0.568 45.656 45.100 -0.020 0.000 0.708 18 G HN 0.787 9.067 8.290 -0.017 0.000 0.520 19 G N -1.059 107.739 108.800 -0.004 0.000 2.606 19 G HA2 0.479 4.455 3.960 0.065 0.000 0.262 19 G HA3 0.479 4.475 3.960 -0.103 -0.098 0.262 19 G C -1.686 173.246 174.900 0.053 0.000 1.394 19 G CA -1.016 44.080 45.100 -0.008 0.000 1.044 19 G HN -0.698 7.536 8.290 -0.021 0.043 0.553 20 Y N -6.211 114.068 120.300 -0.035 0.000 2.638 20 Y HA 0.394 4.926 4.550 -0.030 0.000 0.339 20 Y C -1.812 174.062 175.900 -0.044 0.000 1.084 20 Y CA -2.880 55.200 58.100 -0.034 0.000 1.068 20 Y CB 1.186 39.629 38.460 -0.028 0.000 1.294 20 Y HN 0.408 8.240 8.280 -0.571 0.106 0.480 21 T N 2.765 117.376 114.554 0.094 0.000 2.769 21 T HA 0.090 4.517 4.350 -0.094 -0.134 0.293 21 T C 0.011 174.737 174.700 0.042 0.000 0.931 21 T CA 1.294 63.397 62.100 0.004 0.000 1.139 21 T CB -0.330 68.567 68.868 0.047 0.000 0.881 21 T HN 0.117 8.468 8.240 0.187 0.000 0.532 22 c N 5.672 124.199 118.600 -0.121 0.000 2.413 22 c HA -0.187 4.384 4.570 0.001 0.000 0.276 22 c C 0.421 174.532 174.090 0.035 0.000 1.248 22 c CA 0.921 57.212 56.329 -0.063 0.000 1.742 22 c CB -0.181 42.224 42.510 -0.174 0.000 2.017 22 c HN 0.043 8.145 8.230 -0.212 0.000 0.481 23 G N -2.201 106.604 108.800 0.009 0.000 2.885 23 G HA2 -0.175 3.803 3.960 0.030 0.000 0.685 23 G HA3 -0.175 3.806 3.960 0.036 0.000 0.685 23 G C -1.838 173.065 174.900 0.006 0.000 1.216 23 G CA -0.796 44.319 45.100 0.024 0.000 0.790 23 G HN -0.366 7.913 8.290 -0.018 0.000 0.631 24 A N 4.056 126.886 122.820 0.018 0.000 2.561 24 A HA -0.254 4.306 4.320 0.030 -0.222 0.251 24 A C -0.166 177.425 177.584 0.011 0.000 1.062 24 A CA 1.149 53.200 52.037 0.022 0.000 0.761 24 A CB -0.053 18.965 19.000 0.030 0.000 0.986 24 A HN 0.342 8.507 8.150 0.024 0.000 0.510 25 N N -2.513 116.191 118.700 0.006 0.000 2.741 25 N HA -0.391 4.341 4.740 -0.014 0.000 0.250 25 N C 0.319 175.811 175.510 -0.030 0.000 1.115 25 N CA 1.565 54.610 53.050 -0.008 0.000 0.724 25 N CB -1.177 37.316 38.487 0.010 0.000 1.090 25 N HN 0.551 8.941 8.380 0.017 0.000 0.558 26 T N -3.607 110.921 114.554 -0.043 0.000 3.113 26 T HA -0.002 4.342 4.350 -0.011 0.000 0.256 26 T C -0.029 174.622 174.700 -0.082 0.000 1.131 26 T CA 2.079 64.158 62.100 -0.034 0.000 1.074 26 T CB 0.444 69.307 68.868 -0.008 0.000 0.944 26 T HN -0.413 7.769 8.240 -0.045 0.030 0.516 27 V N 1.848 121.652 119.914 -0.184 0.000 2.361 27 V HA 0.394 4.270 4.120 -0.406 0.000 0.252 27 V C -1.632 174.143 176.094 -0.532 0.000 0.986 27 V CA -3.439 58.599 62.300 -0.437 0.000 1.033 27 V CB 0.263 31.805 31.823 -0.468 0.000 1.282 27 V HN -0.511 7.512 8.190 -0.157 0.072 0.514 28 P HA 0.003 4.462 4.420 -0.087 -0.091 0.228 28 P C -0.127 177.125 177.300 -0.080 0.000 1.151 28 P CA 1.637 64.666 63.100 -0.119 0.000 0.770 28 P CB -0.022 31.683 31.700 0.010 0.000 0.786 29 Y N -6.478 113.846 120.300 0.040 0.000 2.457 29 Y HA 0.560 5.277 4.550 0.055 -0.134 0.263 29 Y C -0.632 175.303 175.900 0.059 0.000 1.164 29 Y CA -3.471 54.658 58.100 0.049 0.000 1.274 29 Y CB -1.114 37.371 38.460 0.041 0.000 1.097 29 Y HN -0.453 7.123 8.280 -1.056 0.071 0.523 30 Q N 3.036 122.691 119.800 -0.242 0.000 2.304 30 Q HA 0.246 4.755 4.340 0.046 -0.141 0.260 30 Q C -0.398 175.673 176.000 0.118 0.000 0.965 30 Q CA 0.090 55.855 55.803 -0.063 0.000 0.898 30 Q CB 1.135 29.736 28.738 -0.229 0.000 1.196 30 Q HN -0.447 7.346 8.270 -0.511 0.171 0.402 31 V N 1.514 121.538 119.914 0.183 0.000 3.001 31 V HA 0.825 5.177 4.120 0.183 -0.123 0.314 31 V C -2.099 174.139 176.094 0.239 0.000 1.099 31 V CA -2.807 59.600 62.300 0.177 0.000 0.989 31 V CB 3.963 35.843 31.823 0.094 0.000 1.040 31 V HN 0.143 8.437 8.190 0.173 0.000 0.434 32 S N 0.717 116.470 115.700 0.087 0.000 2.472 32 S HA 0.476 5.203 4.470 0.239 -0.113 0.303 32 S C -1.070 173.418 174.600 -0.186 0.000 1.099 32 S CA -2.063 56.138 58.200 0.002 0.000 1.077 32 S CB 1.861 64.852 63.200 -0.349 0.000 1.031 32 S HN 0.173 8.491 8.310 0.014 0.000 0.487 33 L N 6.663 127.645 121.223 -0.400 0.000 2.282 33 L HA 0.529 4.768 4.340 -0.374 -0.123 0.288 33 L C -1.564 174.839 176.870 -0.779 0.000 1.033 33 L CA -0.842 53.612 54.840 -0.642 0.000 0.807 33 L CB 0.949 42.397 42.059 -1.019 0.000 1.209 33 L HN 0.675 8.643 8.230 -0.436 0.000 0.423 38 G N 0.105 108.837 108.800 -0.113 0.000 2.195 38 G HA2 -0.298 3.666 3.960 0.007 0.000 0.224 38 G HA3 -0.298 3.748 3.960 0.143 0.000 0.224 38 G C -1.412 173.594 174.900 0.176 0.000 0.990 38 G CA 0.397 45.531 45.100 0.056 0.000 0.639 38 G HN 0.203 8.734 8.290 -0.159 -0.336 0.514 39 Y N -6.918 113.363 120.300 -0.031 0.000 2.741 39 Y HA 0.235 4.752 4.550 -0.054 0.000 0.339 39 Y C -2.501 173.404 175.900 0.008 0.000 1.226 39 Y CA -3.552 54.531 58.100 -0.029 0.000 1.072 39 Y CB 0.746 39.185 38.460 -0.034 0.000 1.331 39 Y HN -1.164 6.902 8.280 -0.361 -0.003 0.453 40 H N 1.952 120.963 119.070 -0.099 0.000 2.690 40 H HA 0.130 4.649 4.556 -0.356 -0.176 0.314 40 H C -0.389 174.908 175.328 -0.051 0.000 1.069 40 H CA -0.297 55.623 56.048 -0.212 0.000 1.436 40 H CB 0.421 30.052 29.762 -0.218 0.000 1.462 40 H HN 0.325 8.708 8.280 0.171 0.000 0.511 41 F N 2.661 122.161 119.950 -0.751 0.000 2.789 41 F HA 0.432 4.846 4.527 -0.188 0.000 0.320 41 F C -1.455 174.095 175.800 -0.417 0.000 1.079 41 F CA -0.612 57.133 58.000 -0.423 0.000 1.205 41 F CB 1.748 40.569 39.000 -0.299 0.000 1.046 41 F HN -0.129 7.465 8.300 -1.177 0.000 0.586 42 c N -1.510 116.426 118.600 -1.106 0.000 3.306 42 c HA 0.319 4.772 4.570 -0.195 0.000 0.335 42 c C -1.726 172.184 174.090 -0.301 0.000 1.382 42 c CA -0.195 55.834 56.329 -0.499 0.000 1.254 42 c CB 3.986 46.283 42.510 -0.355 0.000 1.555 42 c HN -0.829 6.439 8.230 -1.604 0.000 0.463 43 G N -1.005 107.801 108.800 0.010 0.000 2.705 43 G HA2 0.822 5.096 3.960 0.270 0.000 0.299 43 G HA3 0.822 4.914 3.960 0.219 0.000 0.299 43 G C -2.506 172.423 174.900 0.049 0.000 1.315 43 G CA -1.630 43.566 45.100 0.161 0.000 1.045 43 G HN 0.692 8.991 8.290 0.015 0.000 0.517 44 G N -4.047 104.811 108.800 0.096 0.000 2.550 44 G HA2 0.531 4.819 3.960 0.070 0.000 0.293 44 G HA3 0.531 4.524 3.960 0.054 0.000 0.293 44 G C -2.906 172.076 174.900 0.137 0.000 1.402 44 G CA 0.311 45.460 45.100 0.081 0.000 0.784 44 G HN -0.584 7.794 8.290 0.146 0.000 0.482 45 S N -0.564 115.223 115.700 0.146 0.000 2.557 45 S HA 0.824 5.666 4.470 0.271 -0.209 0.291 45 S C -1.319 173.386 174.600 0.174 0.000 1.116 45 S CA -0.847 57.475 58.200 0.204 0.000 0.992 45 S CB 3.800 67.108 63.200 0.179 0.000 1.028 45 S HN 0.364 8.747 8.310 0.121 0.000 0.484 46 L N 6.250 127.593 121.223 0.201 0.000 2.313 46 L HA 0.169 4.710 4.340 0.151 -0.110 0.282 46 L C -0.757 176.199 176.870 0.144 0.000 1.092 46 L CA -0.201 54.738 54.840 0.164 0.000 0.831 46 L CB 0.972 43.128 42.059 0.161 0.000 1.159 46 L HN 0.630 8.909 8.230 0.265 0.109 0.442 47 I N 0.388 121.038 120.570 0.132 0.000 4.057 47 I HA 0.512 4.880 4.170 0.062 -0.160 0.334 47 I C -0.954 175.219 176.117 0.092 0.000 1.308 47 I CA -0.708 60.645 61.300 0.089 0.000 1.125 47 I CB 0.547 38.587 38.000 0.067 0.000 1.034 47 I HN 0.286 8.593 8.210 0.161 0.000 0.401 48 N N -2.096 116.682 118.700 0.130 0.000 3.261 48 N HA 0.163 4.959 4.740 0.093 0.000 0.248 48 N C -0.659 174.930 175.510 0.132 0.000 1.498 48 N CA -0.546 52.578 53.050 0.124 0.000 0.884 48 N CB 0.640 39.211 38.487 0.140 0.000 1.428 48 N HN -0.918 7.555 8.380 0.154 0.000 0.517 49 S N -3.618 112.149 115.700 0.111 0.000 2.515 49 S HA -0.286 4.229 4.470 0.075 0.000 0.231 49 S C 0.769 175.406 174.600 0.062 0.000 0.987 49 S CA 2.686 60.934 58.200 0.081 0.000 0.936 49 S CB -0.061 63.175 63.200 0.059 0.000 0.766 49 S HN 0.363 8.736 8.310 0.104 0.000 0.528 50 Q N -0.445 119.408 119.800 0.088 0.000 2.149 50 Q HA 0.334 4.625 4.340 -0.082 0.000 0.221 50 Q C -2.170 173.730 176.000 -0.166 0.000 0.807 50 Q CA -0.437 55.329 55.803 -0.062 0.000 1.000 50 Q CB 2.667 31.337 28.738 -0.113 0.000 1.157 50 Q HN 0.067 8.745 8.270 0.180 -0.300 0.487 51 W N -2.302 119.006 121.300 0.014 0.000 3.022 51 W HA 0.693 5.562 4.660 0.011 -0.202 0.335 51 W C -1.540 174.995 176.519 0.026 0.000 1.133 51 W CA -1.034 56.319 57.345 0.012 0.000 1.219 51 W CB 3.802 33.261 29.460 -0.003 0.000 1.409 51 W HN -0.406 8.036 8.180 0.264 -0.104 0.507 52 V N 0.934 121.013 119.914 0.275 0.000 2.864 52 V HA 0.815 5.214 4.120 0.173 -0.176 0.314 52 V C -1.402 174.808 176.094 0.193 0.000 1.073 52 V CA -1.901 60.509 62.300 0.184 0.000 0.956 52 V CB 3.704 35.593 31.823 0.110 0.000 1.023 52 V HN 0.839 9.207 8.190 0.296 0.000 0.435 53 V N 4.824 124.827 119.914 0.147 0.000 2.540 53 V HA 0.758 5.144 4.120 0.154 -0.173 0.302 53 V C -1.365 174.784 176.094 0.093 0.000 1.035 53 V CA -1.238 61.140 62.300 0.131 0.000 0.873 53 V CB 2.607 34.499 31.823 0.115 0.000 0.992 53 V HN 0.589 8.860 8.190 0.136 0.000 0.428 54 S N 4.353 120.094 115.700 0.068 0.000 2.880 54 S HA 0.579 5.267 4.470 0.024 -0.204 0.308 54 S C -2.047 172.534 174.600 -0.030 0.000 1.195 54 S CA -2.610 55.601 58.200 0.017 0.000 0.866 54 S CB 2.646 65.845 63.200 -0.001 0.000 1.254 54 S HN 0.791 9.153 8.310 0.086 0.000 0.571 55 A N -0.469 122.288 122.820 -0.106 0.000 2.306 55 A HA 0.422 4.811 4.320 -0.144 -0.155 0.314 55 A C 0.635 178.070 177.584 -0.247 0.000 1.164 55 A CA -1.437 50.481 52.037 -0.198 0.000 0.822 55 A CB 1.414 20.209 19.000 -0.340 0.000 1.130 55 A HN 0.304 8.385 8.150 -0.115 0.000 0.496 56 A N 4.809 127.435 122.820 -0.323 0.000 1.972 56 A HA -0.252 3.914 4.320 -0.255 0.000 0.219 56 A C 1.327 178.655 177.584 -0.427 0.000 1.169 56 A CA 2.857 54.599 52.037 -0.490 0.000 0.635 56 A CB -0.364 17.975 19.000 -1.102 0.000 0.810 56 A HN 0.609 8.591 8.150 -0.300 -0.012 0.446 57 H N -5.688 113.203 119.070 -0.298 0.000 2.563 57 H HA -0.031 4.537 4.556 0.019 0.000 0.272 57 H C 0.066 175.439 175.328 0.074 0.000 1.005 57 H CA 1.235 57.272 56.048 -0.019 0.000 1.171 57 H CB -0.863 28.967 29.762 0.113 0.000 1.351 57 H HN -0.165 8.211 8.280 -0.308 -0.280 0.602 58 c N -0.864 117.658 118.600 -0.129 0.000 2.791 58 c HA 0.047 4.719 4.570 0.169 0.000 0.270 58 c C 0.010 174.194 174.090 0.156 0.000 1.257 58 c CA -0.446 55.920 56.329 0.061 0.000 1.699 58 c CB -1.809 40.696 42.510 -0.009 0.000 1.904 58 c HN -0.274 7.614 8.230 -0.235 0.200 0.603 59 Y N 3.048 123.353 120.300 0.008 0.000 2.610 59 Y HA -0.244 4.329 4.550 0.038 0.000 0.332 59 Y C -1.067 174.819 175.900 -0.024 0.000 1.201 59 Y CA 2.058 60.164 58.100 0.011 0.000 1.465 59 Y CB 0.668 39.121 38.460 -0.011 0.000 1.283 59 Y HN -0.543 7.655 8.280 0.166 0.181 0.563 60 K N 6.461 126.186 120.400 -1.125 0.000 2.672 60 K HA 0.211 4.180 4.320 -0.584 0.000 0.295 60 K C -2.320 173.789 176.600 -0.819 0.000 1.042 60 K CA -0.957 54.858 56.287 -0.787 0.000 0.869 60 K CB 2.545 34.719 32.500 -0.543 0.000 1.541 60 K HN -0.144 7.324 8.250 -1.303 0.000 0.396 61 S N -0.313 115.126 115.700 -0.435 0.000 2.681 61 S HA 0.165 4.463 4.470 -0.286 0.000 0.299 61 S C 0.709 175.186 174.600 -0.204 0.000 1.113 61 S CA -0.372 57.670 58.200 -0.263 0.000 1.013 61 S CB 1.381 64.511 63.200 -0.116 0.000 1.076 61 S HN -0.170 7.949 8.310 -0.319 0.000 0.534 62 G N 0.172 108.890 108.800 -0.137 0.000 2.289 62 G HA2 -0.173 3.739 3.960 -0.081 0.000 0.280 62 G HA3 -0.173 3.722 3.960 -0.109 0.000 0.280 62 G C -1.574 173.262 174.900 -0.107 0.000 1.089 62 G CA 0.119 45.154 45.100 -0.108 0.000 0.939 62 G HN 0.321 8.543 8.290 -0.113 0.000 0.499 63 I N -1.129 119.388 120.570 -0.088 0.000 2.359 63 I HA 0.201 4.522 4.170 0.015 -0.142 0.294 63 I C -1.665 174.416 176.117 -0.060 0.000 0.987 63 I CA -1.075 60.205 61.300 -0.033 0.000 1.225 63 I CB 1.203 39.203 38.000 -0.001 0.000 1.366 63 I HN -0.528 7.625 8.210 -0.095 0.000 0.466 64 Q N 7.085 126.835 119.800 -0.083 0.000 3.106 64 Q HA 0.735 5.132 4.340 -0.085 -0.108 0.247 64 Q C -1.677 174.231 176.000 -0.152 0.000 1.033 64 Q CA -2.110 53.622 55.803 -0.118 0.000 0.888 64 Q CB 4.439 33.073 28.738 -0.172 0.000 1.586 64 Q HN 0.678 8.904 8.270 -0.074 0.000 0.482 65 R N -2.639 117.788 120.500 -0.121 0.000 3.321 65 R HA 0.385 4.941 4.340 0.088 -0.163 0.285 65 R C -1.371 174.958 176.300 0.048 0.000 1.149 65 R CA 0.053 56.117 56.100 -0.060 0.000 1.191 65 R CB 2.343 32.455 30.300 -0.313 0.000 1.276 65 R HN 0.701 8.886 8.270 -0.142 0.000 0.429 70 E N -0.745 119.545 120.200 0.151 0.000 2.283 70 E HA 0.133 4.555 4.350 0.120 0.000 0.267 70 E C -1.726 175.042 176.600 0.281 0.000 1.045 70 E CA 0.278 56.780 56.400 0.171 0.000 0.884 70 E CB 1.679 31.416 29.700 0.062 0.000 1.106 70 E HN -0.589 7.841 8.360 0.172 0.033 0.408 71 D N 0.693 121.238 120.400 0.243 0.000 2.957 71 D HA 0.054 4.914 4.640 0.366 0.000 0.175 71 D C -1.124 175.360 176.300 0.306 0.000 1.502 71 D CA 0.958 55.123 54.000 0.276 0.000 1.524 71 D CB 2.313 43.193 40.800 0.134 0.000 1.300 71 D HN 0.104 8.566 8.370 0.153 0.000 0.241 72 N N 1.241 120.031 118.700 0.150 0.000 2.405 72 N HA 0.137 5.089 4.740 0.141 -0.127 0.260 72 N C 2.082 177.580 175.510 -0.019 0.000 1.152 72 N CA -0.321 52.785 53.050 0.092 0.000 0.948 72 N CB 0.394 38.916 38.487 0.058 0.000 1.111 72 N HN -0.547 8.159 8.380 0.113 -0.259 0.485 73 I N -0.015 120.448 120.570 -0.179 0.000 3.444 73 I HA -0.021 4.144 4.170 -0.287 -0.166 0.287 73 I C -0.531 175.493 176.117 -0.155 0.000 1.302 73 I CA 1.011 62.115 61.300 -0.327 0.000 1.368 73 I CB -0.830 36.731 38.000 -0.732 0.000 1.048 73 I HN 0.493 8.599 8.210 -0.173 0.000 0.487 74 N N -2.249 116.408 118.700 -0.071 0.000 2.220 74 N HA 0.138 4.861 4.740 -0.028 0.000 0.195 74 N C -0.854 174.660 175.510 0.007 0.000 1.123 74 N CA 0.029 53.065 53.050 -0.023 0.000 0.874 74 N CB 2.134 40.616 38.487 -0.007 0.000 0.995 74 N HN -0.037 8.594 8.380 -0.053 -0.283 0.498 75 V N 0.355 120.277 119.914 0.014 0.000 2.656 75 V HA 0.045 4.178 4.120 0.023 0.000 0.307 75 V C -1.395 174.716 176.094 0.028 0.000 1.051 75 V CA -1.124 61.190 62.300 0.023 0.000 0.893 75 V CB 3.089 34.924 31.823 0.021 0.000 0.999 75 V HN -0.864 7.429 8.190 0.005 -0.100 0.426 76 V N 7.185 127.111 119.914 0.019 0.000 2.408 76 V HA -0.155 4.192 4.120 0.005 -0.225 0.267 76 V C 0.079 176.165 176.094 -0.014 0.000 1.047 76 V CA 0.491 62.786 62.300 -0.008 0.000 0.937 76 V CB -0.013 31.782 31.823 -0.047 0.000 0.999 76 V HN 0.265 8.464 8.190 0.015 0.000 0.472 77 E N 7.941 128.136 120.200 -0.009 0.000 2.473 77 E HA 0.132 4.479 4.350 -0.004 0.000 0.204 77 E C -0.216 176.375 176.600 -0.015 0.000 0.994 77 E CA -0.415 55.983 56.400 -0.004 0.000 0.945 77 E CB 0.787 30.496 29.700 0.015 0.000 0.990 77 E HN 0.266 9.050 8.360 -0.004 -0.427 0.493 78 G N -0.015 108.765 108.800 -0.032 0.000 2.539 78 G HA2 -0.223 3.699 3.960 -0.064 0.000 0.686 78 G HA3 -0.223 3.719 3.960 -0.029 0.000 0.686 78 G C -1.761 173.121 174.900 -0.029 0.000 1.258 78 G CA -0.716 44.360 45.100 -0.041 0.000 0.846 78 G HN -0.454 8.084 8.290 -0.042 -0.273 0.647 79 N N -4.073 114.606 118.700 -0.036 0.000 2.962 79 N HA -0.273 4.456 4.740 -0.018 0.000 0.206 79 N C -0.875 174.624 175.510 -0.019 0.000 0.907 79 N CA 1.359 54.399 53.050 -0.017 0.000 1.029 79 N CB -0.293 38.198 38.487 0.006 0.000 1.009 79 N HN 0.157 8.508 8.380 -0.049 0.000 0.587 80 E N -0.960 119.208 120.200 -0.053 0.000 2.383 80 E HA 0.131 4.750 4.350 0.041 -0.244 0.264 80 E C -0.130 176.404 176.600 -0.110 0.000 1.050 80 E CA 0.733 57.101 56.400 -0.054 0.000 0.896 80 E CB 0.491 30.093 29.700 -0.163 0.000 0.982 80 E HN -0.185 8.027 8.360 -0.075 0.104 0.424 81 Q N 1.281 121.090 119.800 0.015 0.000 2.274 81 Q HA 0.269 4.569 4.340 -0.067 0.000 0.268 81 Q C -1.604 174.548 176.000 0.254 0.000 1.015 81 Q CA -1.130 54.691 55.803 0.030 0.000 0.775 81 Q CB 3.108 31.872 28.738 0.044 0.000 1.256 81 Q HN 0.203 8.552 8.270 0.132 0.000 0.442 82 F N 3.457 123.388 119.950 -0.030 0.000 2.402 82 F HA 0.440 5.112 4.527 -0.045 -0.172 0.355 82 F C -0.274 175.504 175.800 -0.037 0.000 1.123 82 F CA -2.825 55.151 58.000 -0.039 0.000 1.021 82 F CB 1.022 39.997 39.000 -0.041 0.000 1.160 82 F HN 0.372 8.726 8.300 0.090 0.000 0.451 83 I N 3.607 124.248 120.570 0.119 0.000 2.608 83 I HA 0.256 4.455 4.170 0.047 0.000 0.295 83 I C -1.463 174.652 176.117 -0.004 0.000 1.049 83 I CA -1.514 59.811 61.300 0.042 0.000 1.063 83 I CB 4.124 42.135 38.000 0.018 0.000 1.248 83 I HN 0.842 9.106 8.210 0.090 0.000 0.424 84 S N 4.142 119.831 115.700 -0.017 0.000 2.610 84 S HA 0.199 4.750 4.470 -0.046 -0.109 0.273 84 S C -0.607 173.959 174.600 -0.057 0.000 1.274 84 S CA 0.123 58.300 58.200 -0.039 0.000 1.023 84 S CB 1.324 64.504 63.200 -0.034 0.000 0.962 84 S HN 0.347 8.651 8.310 -0.010 0.000 0.523 85 A N 3.448 126.230 122.820 -0.063 0.000 2.401 85 A HA 0.166 4.540 4.320 -0.097 -0.112 0.259 85 A C -0.217 177.318 177.584 -0.081 0.000 1.103 85 A CA -0.211 51.780 52.037 -0.077 0.000 0.789 85 A CB 0.489 19.454 19.000 -0.058 0.000 1.035 85 A HN -0.104 8.011 8.150 -0.059 0.000 0.491 86 S N 3.463 119.094 115.700 -0.114 0.000 2.441 86 S HA 0.048 4.475 4.470 -0.071 0.000 0.224 86 S C 0.317 174.874 174.600 -0.072 0.000 1.043 86 S CA 1.367 59.508 58.200 -0.098 0.000 0.948 86 S CB 0.858 63.976 63.200 -0.137 0.000 0.810 86 S HN 0.775 8.867 8.310 -0.162 0.121 0.504 87 K N -0.788 119.562 120.400 -0.082 0.000 2.568 87 K HA 0.294 4.633 4.320 0.031 0.000 0.273 87 K C -2.678 173.945 176.600 0.037 0.000 0.951 87 K CA -0.558 55.728 56.287 -0.003 0.000 0.854 87 K CB 2.594 35.098 32.500 0.007 0.000 1.424 87 K HN -0.747 7.420 8.250 -0.138 0.000 0.427 88 S N 1.226 117.011 115.700 0.140 0.000 2.502 88 S HA 0.710 5.451 4.470 0.177 -0.165 0.304 88 S C -0.818 173.919 174.600 0.228 0.000 1.097 88 S CA -0.458 57.872 58.200 0.216 0.000 1.045 88 S CB 2.569 65.963 63.200 0.324 0.000 1.019 88 S HN 0.208 8.619 8.310 0.167 0.000 0.481 89 I N 7.554 128.265 120.570 0.234 0.000 2.371 89 I HA 0.109 4.372 4.170 0.156 0.000 0.282 89 I C -1.517 174.744 176.117 0.240 0.000 1.031 89 I CA -0.837 60.593 61.300 0.215 0.000 1.180 89 I CB 1.263 39.402 38.000 0.232 0.000 1.336 89 I HN 0.991 9.251 8.210 0.262 0.107 0.467 90 V N 7.836 127.824 119.914 0.123 0.000 2.649 90 V HA -0.156 4.012 4.120 0.080 0.000 0.292 90 V C -0.355 175.824 176.094 0.141 0.000 1.055 90 V CA -0.616 61.725 62.300 0.068 0.000 1.023 90 V CB 0.995 32.764 31.823 -0.089 0.000 0.992 90 V HN 0.352 8.570 8.190 0.046 0.000 0.480 91 H N 8.674 127.738 119.070 -0.010 0.000 3.070 91 H HA -0.044 4.406 4.556 -0.178 0.000 0.313 91 H C 0.041 175.357 175.328 -0.020 0.000 0.997 91 H CA 0.330 56.262 56.048 -0.193 0.000 1.438 91 H CB 1.070 30.535 29.762 -0.495 0.000 1.455 91 H HN -0.306 8.017 8.280 0.072 0.000 0.575 92 P HA -0.110 4.310 4.420 -0.000 0.000 0.219 92 P C -0.475 176.850 177.300 0.042 0.000 1.146 92 P CA 1.441 64.497 63.100 -0.074 0.000 0.808 92 P CB 0.269 31.913 31.700 -0.094 0.000 0.779 93 S N -3.414 112.402 115.700 0.193 0.000 2.582 93 S HA 0.048 4.577 4.470 0.099 0.000 0.234 93 S C -0.390 174.331 174.600 0.201 0.000 0.961 93 S CA -0.144 58.183 58.200 0.212 0.000 0.953 93 S CB 0.431 63.766 63.200 0.226 0.000 0.800 93 S HN -0.459 7.968 8.310 0.264 0.041 0.471 94 Y N 4.851 125.215 120.300 0.107 0.000 2.610 94 Y HA -0.274 4.442 4.550 -0.013 -0.174 0.332 94 Y C -1.009 174.892 175.900 0.001 0.000 1.201 94 Y CA 0.984 59.098 58.100 0.023 0.000 1.465 94 Y CB 0.719 39.191 38.460 0.020 0.000 1.283 94 Y HN -0.398 7.904 8.280 0.336 0.180 0.563 95 N N 6.987 125.315 118.700 -0.620 0.000 2.483 95 N HA 0.218 4.683 4.740 -0.458 0.000 0.267 95 N C -0.322 174.682 175.510 -0.844 0.000 0.998 95 N CA -1.220 51.499 53.050 -0.553 0.000 0.918 95 N CB 1.932 40.260 38.487 -0.264 0.000 1.215 95 N HN -0.212 7.915 8.380 -0.422 0.000 0.500 96 S N 6.661 121.875 115.700 -0.810 0.000 2.515 96 S HA -0.035 4.080 4.470 -0.592 0.000 0.231 96 S C 0.671 175.104 174.600 -0.280 0.000 0.987 96 S CA 2.157 60.041 58.200 -0.528 0.000 0.936 96 S CB -0.160 62.884 63.200 -0.260 0.000 0.766 96 S HN 0.616 8.549 8.310 -0.627 0.000 0.528 97 N N 1.915 120.455 118.700 -0.267 0.000 2.368 97 N HA -0.004 4.622 4.740 -0.190 0.000 0.176 97 N C 0.991 176.354 175.510 -0.246 0.000 1.021 97 N CA 2.222 55.146 53.050 -0.210 0.000 0.888 97 N CB 0.595 38.984 38.487 -0.163 0.000 0.995 97 N HN 0.414 8.839 8.380 -0.296 -0.222 0.437 98 T N -4.052 110.354 114.554 -0.246 0.000 3.015 98 T HA 0.067 4.238 4.350 -0.299 0.000 0.250 98 T C 0.155 174.692 174.700 -0.272 0.000 1.057 98 T CA 0.621 62.570 62.100 -0.251 0.000 1.066 98 T CB 1.859 70.633 68.868 -0.157 0.000 0.959 98 T HN -0.288 8.102 8.240 -0.247 -0.299 0.488 99 L N -3.824 117.281 121.223 -0.198 0.000 4.351 99 L HA -0.494 4.001 4.340 0.129 -0.078 0.410 99 L C -1.916 175.011 176.870 0.095 0.000 1.150 99 L CA 0.274 55.113 54.840 -0.002 0.000 0.961 99 L CB -2.676 39.343 42.059 -0.067 0.000 2.130 99 L HN -0.160 7.923 8.230 -0.244 0.000 0.787 100 N N -0.806 117.900 118.700 0.010 0.000 2.513 100 N HA -0.141 4.655 4.740 0.094 0.000 0.268 100 N C -0.037 175.524 175.510 0.086 0.000 1.180 100 N CA 0.734 53.815 53.050 0.052 0.000 0.948 100 N CB 1.204 39.693 38.487 0.003 0.000 1.083 100 N HN -0.643 7.645 8.380 -0.083 0.042 0.455 101 N N -0.923 117.817 118.700 0.066 0.000 2.783 101 N HA -0.470 4.179 4.740 -0.152 0.000 0.247 101 N C -1.451 174.034 175.510 -0.041 0.000 1.089 101 N CA 1.380 54.369 53.050 -0.101 0.000 0.690 101 N CB -1.424 36.914 38.487 -0.249 0.000 0.991 101 N HN 0.636 9.075 8.380 0.099 0.000 0.552 102 D N -0.961 119.454 120.400 0.026 0.000 2.608 102 D HA 0.067 4.675 4.640 -0.054 0.000 0.224 102 D C -1.697 174.500 176.300 -0.172 0.000 1.123 102 D CA -0.375 53.624 54.000 -0.002 0.000 1.030 102 D CB -0.762 40.139 40.800 0.169 0.000 1.093 102 D HN -0.180 8.223 8.370 0.055 0.000 0.497 103 I N 2.082 122.490 120.570 -0.271 0.000 2.802 103 I HA 0.613 4.855 4.170 -0.150 -0.162 0.298 103 I C -3.078 172.985 176.117 -0.090 0.000 1.176 103 I CA -1.561 59.606 61.300 -0.222 0.000 1.025 103 I CB 4.112 41.844 38.000 -0.447 0.000 1.243 103 I HN -0.081 7.918 8.210 -0.280 0.044 0.424 104 M N 6.221 125.842 119.600 0.035 0.000 2.470 104 M HA 0.711 5.501 4.480 0.235 -0.169 0.285 104 M C -2.752 173.675 176.300 0.212 0.000 1.213 104 M CA -1.086 54.303 55.300 0.149 0.000 0.901 104 M CB 4.872 37.518 32.600 0.076 0.000 1.718 104 M HN 0.626 8.850 8.290 0.025 0.081 0.469 105 L N 3.122 124.512 121.223 0.278 0.000 2.334 105 L HA 0.836 5.497 4.340 0.262 -0.164 0.276 105 L C -1.307 175.759 176.870 0.328 0.000 1.014 105 L CA -1.449 53.571 54.840 0.300 0.000 0.815 105 L CB 3.110 45.323 42.059 0.257 0.000 1.268 105 L HN 0.392 8.811 8.230 0.314 0.000 0.428 106 I N 0.945 121.697 120.570 0.303 0.000 2.436 106 I HA 0.519 4.912 4.170 0.109 -0.158 0.289 106 I C -1.617 174.463 176.117 -0.062 0.000 1.010 106 I CA -1.316 60.057 61.300 0.122 0.000 1.098 106 I CB 3.130 41.169 38.000 0.064 0.000 1.266 106 I HN 0.928 9.242 8.210 0.338 0.099 0.434 107 K N 6.497 126.662 120.400 -0.391 0.000 2.156 107 K HA 0.630 4.310 4.320 -1.320 -0.152 0.271 107 K C -1.087 175.239 176.600 -0.456 0.000 0.995 107 K CA -1.778 53.938 56.287 -0.952 0.000 0.890 107 K CB 3.010 34.796 32.500 -1.190 0.000 1.073 107 K HN 0.784 8.889 8.250 -0.243 0.000 0.454 108 L N 3.954 124.933 121.223 -0.406 0.000 2.357 108 L HA 0.264 4.615 4.340 -0.161 -0.107 0.273 108 L C 1.748 178.503 176.870 -0.191 0.000 1.080 108 L CA -0.375 54.339 54.840 -0.211 0.000 0.803 108 L CB 0.584 42.561 42.059 -0.137 0.000 1.174 108 L HN 0.607 8.514 8.230 -0.538 0.000 0.443 109 K N 3.312 123.639 120.400 -0.122 0.000 2.063 109 K HA -0.338 3.920 4.320 -0.103 0.000 0.208 109 K C -0.546 176.006 176.600 -0.079 0.000 1.048 109 K CA 2.764 58.996 56.287 -0.091 0.000 0.928 109 K CB 0.371 32.836 32.500 -0.058 0.000 0.713 109 K HN 0.704 8.894 8.250 -0.100 0.000 0.442 110 S N -3.500 112.161 115.700 -0.066 0.000 2.632 110 S HA 0.086 4.526 4.470 -0.050 0.000 0.289 110 S C -1.891 172.682 174.600 -0.046 0.000 1.115 110 S CA -0.956 57.216 58.200 -0.047 0.000 0.889 110 S CB 2.780 65.964 63.200 -0.027 0.000 1.116 110 S HN -0.425 7.849 8.310 -0.061 0.000 0.486 111 A N -0.042 122.760 122.820 -0.030 0.000 2.386 111 A HA -0.008 4.438 4.320 -0.025 -0.141 0.248 111 A C -0.521 177.063 177.584 -0.001 0.000 1.082 111 A CA 0.110 52.139 52.037 -0.014 0.000 0.789 111 A CB 0.740 19.741 19.000 0.001 0.000 1.025 111 A HN 0.106 8.241 8.150 -0.025 0.000 0.490 112 A N 0.634 123.461 122.820 0.012 0.000 2.286 112 A HA 0.254 4.657 4.320 0.017 -0.073 0.286 112 A C -0.581 177.017 177.584 0.023 0.000 1.097 112 A CA -1.481 50.569 52.037 0.022 0.000 0.821 112 A CB 1.561 20.583 19.000 0.036 0.000 1.076 112 A HN 0.349 8.399 8.150 0.016 0.109 0.490 113 S N 0.587 116.299 115.700 0.021 0.000 2.430 113 S HA 0.093 4.574 4.470 0.019 0.000 0.289 113 S C -0.513 174.103 174.600 0.027 0.000 1.143 113 S CA -0.435 57.776 58.200 0.019 0.000 1.067 113 S CB 0.445 63.651 63.200 0.010 0.000 0.964 113 S HN 0.138 8.832 8.310 0.019 -0.373 0.485 114 L N 6.203 127.445 121.223 0.031 0.000 2.350 114 L HA 0.222 4.719 4.340 0.043 -0.130 0.275 114 L C -0.381 176.508 176.870 0.032 0.000 1.099 114 L CA -0.247 54.616 54.840 0.039 0.000 0.808 114 L CB 0.554 42.640 42.059 0.045 0.000 1.149 114 L HN 0.217 8.464 8.230 0.030 0.000 0.442 115 N N 3.187 121.907 118.700 0.034 0.000 3.588 115 N HA 0.177 4.932 4.740 0.025 0.000 0.340 115 N C -1.335 174.195 175.510 0.032 0.000 1.609 115 N CA -0.614 52.453 53.050 0.028 0.000 0.811 115 N CB 1.042 39.541 38.487 0.020 0.000 2.184 115 N HN 0.457 8.861 8.380 0.040 0.000 0.577 116 S N -2.831 112.885 115.700 0.027 0.000 2.461 116 S HA -0.136 4.355 4.470 0.036 0.000 0.228 116 S C 0.558 175.176 174.600 0.030 0.000 1.005 116 S CA 2.352 60.570 58.200 0.030 0.000 0.942 116 S CB 0.134 63.348 63.200 0.024 0.000 0.776 116 S HN 0.002 8.325 8.310 0.022 0.000 0.514 117 R N -1.066 119.450 120.500 0.026 0.000 2.254 117 R HA 0.148 4.498 4.340 0.018 0.000 0.195 117 R C -1.145 175.172 176.300 0.029 0.000 0.957 117 R CA -0.048 56.066 56.100 0.023 0.000 1.024 117 R CB 0.935 31.247 30.300 0.020 0.000 0.952 117 R HN -0.069 8.469 8.270 0.024 -0.253 0.484 118 V N -1.669 118.269 119.914 0.039 0.000 2.482 118 V HA 0.277 4.614 4.120 0.053 -0.185 0.295 118 V C -2.199 173.936 176.094 0.067 0.000 1.026 118 V CA -1.005 61.326 62.300 0.053 0.000 0.856 118 V CB 2.545 34.398 31.823 0.049 0.000 1.001 118 V HN -0.357 8.072 8.190 0.038 -0.217 0.424 119 A N 6.780 129.658 122.820 0.095 0.000 2.587 119 A HA 0.589 4.962 4.320 0.089 0.000 0.293 119 A C -3.019 174.660 177.584 0.158 0.000 1.087 119 A CA -1.310 50.795 52.037 0.112 0.000 0.692 119 A CB 2.971 22.038 19.000 0.112 0.000 1.291 119 A HN 0.280 8.377 8.150 0.103 0.115 0.407 120 S N -1.501 114.274 115.700 0.125 0.000 2.693 120 S HA 0.596 5.309 4.470 0.166 -0.143 0.276 120 S C -0.510 174.139 174.600 0.081 0.000 1.192 120 S CA -1.300 56.974 58.200 0.123 0.000 0.994 120 S CB 1.617 64.869 63.200 0.087 0.000 1.012 120 S HN -0.022 8.346 8.310 0.097 0.000 0.550 121 I N 0.207 120.777 120.570 0.000 0.000 2.693 121 I HA 0.224 4.312 4.170 -0.137 0.000 0.303 121 I C -1.200 174.861 176.117 -0.093 0.000 1.025 121 I CA -1.564 59.635 61.300 -0.169 0.000 1.086 121 I CB 4.184 41.841 38.000 -0.572 0.000 1.268 121 I HN 0.044 8.272 8.210 0.029 0.000 0.440 122 S N 6.031 121.676 115.700 -0.092 0.000 2.584 122 S HA 0.233 4.685 4.470 -0.031 0.000 0.273 122 S C -0.644 173.926 174.600 -0.049 0.000 1.311 122 S CA -0.346 57.824 58.200 -0.052 0.000 1.034 122 S CB 0.816 63.991 63.200 -0.041 0.000 0.939 122 S HN 0.258 8.499 8.310 -0.116 0.000 0.513 123 L N 3.047 124.256 121.223 -0.023 0.000 2.418 123 L HA 0.137 4.477 4.340 -0.001 0.000 0.265 123 L C -1.298 175.567 176.870 -0.007 0.000 1.143 123 L CA -1.875 52.963 54.840 -0.004 0.000 0.809 123 L CB -0.002 42.063 42.059 0.010 0.000 1.124 123 L HN 0.220 8.439 8.230 -0.018 0.000 0.456 124 P HA 0.122 4.531 4.420 -0.018 0.000 0.276 124 P C -1.169 176.130 177.300 -0.002 0.000 1.252 124 P CA -0.725 62.371 63.100 -0.006 0.000 0.802 124 P CB 0.721 32.417 31.700 -0.007 0.000 1.035 128 c N 0.520 119.094 118.600 -0.042 0.000 2.580 128 c HA 0.043 4.576 4.570 -0.061 0.000 0.371 128 c C 0.026 174.058 174.090 -0.096 0.000 1.308 128 c CA -0.608 55.682 56.329 -0.065 0.000 2.428 128 c CB 0.378 42.853 42.510 -0.059 0.000 2.529 128 c HN -0.028 8.180 8.230 -0.036 0.000 0.657 129 A N 0.513 123.240 122.820 -0.155 0.000 2.282 129 A HA 0.101 4.347 4.320 -0.124 0.000 0.319 129 A C -0.974 176.507 177.584 -0.171 0.000 1.121 129 A CA -0.418 51.517 52.037 -0.170 0.000 0.836 129 A CB 1.345 20.205 19.000 -0.234 0.000 1.146 129 A HN 0.212 8.244 8.150 -0.195 0.000 0.494 133 G N 1.382 110.136 108.800 -0.077 0.000 2.284 133 G HA2 -0.319 3.601 3.960 -0.066 0.000 0.247 133 G HA3 -0.319 3.608 3.960 -0.055 0.000 0.247 133 G C 0.156 175.011 174.900 -0.074 0.000 1.012 133 G CA 0.134 45.193 45.100 -0.067 0.000 0.618 133 G HN 0.807 8.943 8.290 -0.082 0.106 0.521 134 T N 3.923 118.421 114.554 -0.093 0.000 2.934 134 T HA -0.203 4.104 4.350 -0.070 0.000 0.306 134 T C -0.950 173.698 174.700 -0.087 0.000 1.042 134 T CA 2.486 64.531 62.100 -0.091 0.000 1.145 134 T CB 0.719 69.514 68.868 -0.122 0.000 0.982 134 T HN -0.321 7.765 8.240 -0.106 0.090 0.544 135 Q N 5.443 125.207 119.800 -0.060 0.000 2.243 135 Q HA 0.220 4.653 4.340 -0.051 -0.124 0.252 135 Q C -0.898 175.081 176.000 -0.036 0.000 0.909 135 Q CA 0.104 55.884 55.803 -0.039 0.000 0.922 135 Q CB 1.660 30.392 28.738 -0.011 0.000 1.215 135 Q HN 0.188 8.428 8.270 -0.050 0.000 0.427 136 c N 3.316 121.897 118.600 -0.032 0.000 2.971 136 c HA 0.604 5.273 4.570 -0.017 -0.109 0.310 136 c C -1.938 172.158 174.090 0.010 0.000 1.285 136 c CA -1.562 54.753 56.329 -0.024 0.000 1.593 136 c CB 4.364 46.840 42.510 -0.056 0.000 2.076 136 c HN 0.907 9.003 8.230 -0.032 0.114 0.472 137 L N 0.959 122.197 121.223 0.024 0.000 2.313 137 L HA 0.921 5.483 4.340 0.052 -0.191 0.283 137 L C -2.167 174.719 176.870 0.027 0.000 1.013 137 L CA -1.407 53.460 54.840 0.046 0.000 0.816 137 L CB 3.099 45.206 42.059 0.080 0.000 1.236 137 L HN 0.643 8.885 8.230 0.020 0.000 0.419 138 I N 7.485 128.056 120.570 0.001 0.000 2.474 138 I HA 0.884 5.309 4.170 0.018 -0.244 0.294 138 I C -1.299 174.784 176.117 -0.058 0.000 1.005 138 I CA -1.532 59.765 61.300 -0.005 0.000 1.113 138 I CB 2.504 40.506 38.000 0.003 0.000 1.289 138 I HN 0.982 9.192 8.210 0.001 0.000 0.436 139 S N 2.892 118.548 115.700 -0.074 0.000 2.627 139 S HA 1.063 5.561 4.470 -0.238 -0.171 0.283 139 S C -1.096 173.372 174.600 -0.221 0.000 1.127 139 S CA -1.882 56.196 58.200 -0.203 0.000 0.863 139 S CB 3.756 66.796 63.200 -0.268 0.000 1.121 139 S HN -0.202 8.096 8.310 -0.020 0.000 0.479 140 G N -1.256 107.313 108.800 -0.385 0.000 2.321 140 G HA2 0.133 3.806 3.960 -0.479 0.000 0.298 140 G HA3 0.133 4.197 3.960 -0.096 -0.161 0.298 140 G C -2.182 172.468 174.900 -0.417 0.000 1.385 140 G CA 0.529 45.417 45.100 -0.353 0.000 0.856 140 G HN 0.385 8.392 8.290 -0.473 0.000 0.584 141 W N 0.987 122.239 121.300 -0.080 0.000 3.067 141 W HA 0.349 4.960 4.660 -0.081 0.000 0.417 141 W C -0.080 176.492 176.519 0.087 0.000 1.029 141 W CA -0.945 56.331 57.345 -0.116 0.000 1.992 141 W CB 0.163 29.349 29.460 -0.457 0.000 1.122 141 W HN 0.581 8.901 8.180 0.233 0.000 0.681 142 G N 0.688 109.654 108.800 0.277 0.000 2.621 142 G HA2 -0.049 4.238 3.960 0.510 0.000 0.271 142 G HA3 -0.049 4.153 3.960 0.235 -0.101 0.271 142 G C -0.939 174.004 174.900 0.072 0.000 1.236 142 G CA -0.768 44.507 45.100 0.291 0.000 0.958 142 G HN -0.636 7.880 8.290 0.166 -0.127 0.512 143 N N -0.307 118.315 118.700 -0.130 0.000 2.293 143 N HA -0.307 4.140 4.740 -0.798 -0.186 0.253 143 N C 0.820 176.220 175.510 -0.183 0.000 1.248 143 N CA 1.188 53.978 53.050 -0.433 0.000 0.845 143 N CB 0.590 38.836 38.487 -0.401 0.000 1.073 143 N HN 0.277 8.673 8.380 0.025 0.000 0.464 144 T N 0.429 114.878 114.554 -0.174 0.000 3.092 144 T HA 0.201 4.632 4.350 -0.063 -0.119 0.258 144 T C 0.101 174.760 174.700 -0.068 0.000 1.031 144 T CA 0.232 62.281 62.100 -0.085 0.000 0.925 144 T CB 1.348 70.181 68.868 -0.059 0.000 1.036 144 T HN 0.139 8.236 8.240 -0.238 0.000 0.544 145 K N 2.282 122.630 120.400 -0.087 0.000 2.270 145 K HA 0.278 4.577 4.320 -0.035 0.000 0.255 145 K C -0.660 175.917 176.600 -0.038 0.000 0.936 145 K CA -1.144 55.111 56.287 -0.052 0.000 0.809 145 K CB 2.663 35.133 32.500 -0.051 0.000 1.131 145 K HN -0.684 7.704 8.250 -0.137 -0.220 0.427 146 S N 0.410 116.101 115.700 -0.015 0.000 2.458 146 S HA -0.094 4.379 4.470 0.004 0.000 0.223 146 S C -0.064 174.540 174.600 0.007 0.000 1.019 146 S CA 1.734 59.936 58.200 0.002 0.000 0.937 146 S CB 0.924 64.130 63.200 0.011 0.000 0.788 146 S HN 0.095 8.397 8.310 -0.012 0.000 0.511 147 S N 1.716 117.417 115.700 0.002 0.000 2.269 147 S HA 0.204 4.681 4.470 0.013 0.000 0.194 147 S C -0.930 173.671 174.600 0.002 0.000 1.547 147 S CA -0.193 58.011 58.200 0.007 0.000 1.186 147 S CB -0.255 62.950 63.200 0.009 0.000 1.069 147 S HN -0.478 7.801 8.310 -0.004 0.028 0.473 148 G N 1.560 110.362 108.800 0.002 0.000 2.353 148 G HA2 -0.180 3.789 3.960 0.016 0.000 0.424 148 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.424 148 G C -2.758 172.131 174.900 -0.018 0.000 1.320 148 G CA -0.582 44.520 45.100 0.002 0.000 0.995 148 G HN -0.352 7.941 8.290 0.006 0.000 0.580 149 T N -3.714 110.835 114.554 -0.009 0.000 2.815 149 T HA 0.117 4.521 4.350 -0.176 -0.159 0.289 149 T C -1.491 173.167 174.700 -0.069 0.000 1.000 149 T CA -1.145 60.923 62.100 -0.052 0.000 0.958 149 T CB 1.768 70.713 68.868 0.129 0.000 0.944 149 T HN -0.165 8.085 8.240 0.017 0.000 0.442 150 S N 4.794 120.357 115.700 -0.229 0.000 2.779 150 S HA 0.240 4.729 4.470 0.032 0.000 0.293 150 S C -2.134 172.342 174.600 -0.206 0.000 1.150 150 S CA -0.712 57.433 58.200 -0.091 0.000 1.057 150 S CB 1.193 64.358 63.200 -0.058 0.000 1.021 150 S HN 0.722 9.193 8.310 -0.414 -0.410 0.485 151 Y N 5.698 126.039 120.300 0.069 0.000 2.341 151 Y HA 0.236 4.846 4.550 0.100 0.000 0.337 151 Y C -0.914 175.039 175.900 0.088 0.000 1.014 151 Y CA -2.773 55.382 58.100 0.092 0.000 1.111 151 Y CB 0.986 39.512 38.460 0.110 0.000 1.194 151 Y HN 0.108 8.576 8.280 0.314 0.000 0.462 152 P HA 0.255 4.754 4.420 0.131 0.000 0.278 152 P C -1.559 175.870 177.300 0.216 0.000 1.266 152 P CA -1.027 62.177 63.100 0.173 0.000 0.807 152 P CB 1.887 33.661 31.700 0.123 0.000 1.094 153 D N -2.736 117.767 120.400 0.172 0.000 2.323 153 D HA -0.013 4.692 4.640 0.108 0.000 0.218 153 D C -0.731 175.715 176.300 0.243 0.000 0.973 153 D CA 1.765 55.853 54.000 0.146 0.000 0.890 153 D CB 0.901 41.755 40.800 0.090 0.000 1.011 153 D HN 0.391 8.843 8.370 0.137 0.000 0.499 154 V N -6.908 113.151 119.914 0.243 0.000 2.966 154 V HA 0.703 5.247 4.120 0.419 -0.172 0.317 154 V C -0.461 175.723 176.094 0.150 0.000 1.070 154 V CA -2.529 59.938 62.300 0.277 0.000 1.008 154 V CB 2.057 33.956 31.823 0.126 0.000 1.070 154 V HN -0.976 7.316 8.190 0.170 0.000 0.457 155 L N 1.836 123.029 121.223 -0.049 0.000 2.490 155 L HA -0.062 3.460 4.340 -1.364 0.000 0.274 155 L C -0.550 176.071 176.870 -0.416 0.000 1.201 155 L CA 0.912 55.348 54.840 -0.672 0.000 0.869 155 L CB 0.517 42.177 42.059 -0.666 0.000 1.123 155 L HN -0.318 8.185 8.230 0.151 -0.183 0.484 156 K N 5.092 125.212 120.400 -0.466 0.000 2.208 156 K HA 0.663 4.933 4.320 -0.329 -0.148 0.247 156 K C -1.235 175.110 176.600 -0.424 0.000 0.953 156 K CA -2.527 53.547 56.287 -0.355 0.000 0.837 156 K CB 2.949 35.303 32.500 -0.242 0.000 1.131 156 K HN -0.175 7.709 8.250 -0.610 0.000 0.431 157 c N -0.913 117.347 118.600 -0.566 0.000 2.707 157 c HA 1.015 5.548 4.570 -0.388 -0.195 0.313 157 c C -1.844 171.898 174.090 -0.579 0.000 1.209 157 c CA -0.790 55.160 56.329 -0.631 0.000 1.635 157 c CB 3.747 45.725 42.510 -0.886 0.000 2.206 157 c HN 0.765 8.602 8.230 -0.656 0.000 0.485 158 L N 0.063 121.143 121.223 -0.238 0.000 2.482 158 L HA 0.384 4.765 4.340 0.068 0.000 0.263 158 L C -2.470 174.461 176.870 0.102 0.000 0.957 158 L CA -0.028 54.812 54.840 -0.000 0.000 0.836 158 L CB 4.525 46.605 42.059 0.035 0.000 1.324 158 L HN 0.828 8.950 8.230 -0.180 0.000 0.406 159 K N 5.621 126.145 120.400 0.206 0.000 2.213 159 K HA 0.872 5.471 4.320 0.124 -0.205 0.270 159 K C -1.050 175.676 176.600 0.209 0.000 1.002 159 K CA -1.420 54.973 56.287 0.178 0.000 0.868 159 K CB 1.315 33.927 32.500 0.186 0.000 1.093 159 K HN 0.341 8.744 8.250 0.254 0.000 0.454 160 A N 3.968 126.849 122.820 0.102 0.000 2.549 160 A HA 0.673 5.011 4.320 0.030 0.000 0.297 160 A C -3.431 174.089 177.584 -0.107 0.000 1.061 160 A CA -2.513 49.526 52.037 0.004 0.000 0.690 160 A CB 3.189 22.201 19.000 0.019 0.000 1.287 160 A HN 1.081 9.152 8.150 0.049 0.109 0.402 161 P HA 0.806 5.379 4.420 -0.114 -0.221 0.287 161 P C -1.046 176.174 177.300 -0.133 0.000 1.270 161 P CA -1.467 61.537 63.100 -0.160 0.000 0.844 161 P CB 1.628 33.228 31.700 -0.165 0.000 1.068 162 I N 0.154 120.658 120.570 -0.111 0.000 2.529 162 I HA 0.008 4.326 4.170 0.036 -0.127 0.284 162 I C 0.177 176.265 176.117 -0.048 0.000 1.082 162 I CA 0.395 61.651 61.300 -0.073 0.000 1.406 162 I CB 0.458 38.318 38.000 -0.233 0.000 1.405 162 I HN 0.166 8.301 8.210 -0.125 0.000 0.548 163 L N 5.783 127.016 121.223 0.018 0.000 2.431 163 L HA 0.296 4.619 4.340 -0.029 0.000 0.260 163 L C -0.005 176.873 176.870 0.014 0.000 1.098 163 L CA -1.086 53.757 54.840 0.005 0.000 0.800 163 L CB 0.754 42.829 42.059 0.026 0.000 1.210 163 L HN 0.323 8.501 8.230 0.098 0.111 0.465 164 S N -1.892 113.812 115.700 0.007 0.000 2.603 164 S HA -0.058 4.412 4.470 -0.000 0.000 0.268 164 S C 0.436 175.056 174.600 0.033 0.000 1.317 164 S CA -0.940 57.266 58.200 0.009 0.000 1.012 164 S CB 1.880 65.081 63.200 0.002 0.000 0.926 164 S HN -0.065 8.245 8.310 0.000 0.000 0.539 165 D N 1.298 121.719 120.400 0.035 0.000 2.218 165 D HA -0.214 4.471 4.640 0.075 0.000 0.204 165 D C 1.660 177.989 176.300 0.048 0.000 0.976 165 D CA 3.004 57.036 54.000 0.053 0.000 0.853 165 D CB -0.258 40.569 40.800 0.045 0.000 0.939 165 D HN 0.558 8.941 8.370 0.021 0.000 0.481 166 S N -1.229 114.490 115.700 0.032 0.000 2.371 166 S HA -0.268 4.221 4.470 0.032 0.000 0.224 166 S C 1.998 176.614 174.600 0.026 0.000 1.029 166 S CA 3.565 61.781 58.200 0.027 0.000 0.978 166 S CB -0.085 63.125 63.200 0.016 0.000 0.833 166 S HN -0.017 8.290 8.310 0.024 0.018 0.466 167 S N 3.533 119.246 115.700 0.022 0.000 2.368 167 S HA -0.265 4.207 4.470 0.003 0.000 0.224 167 S C 1.801 176.415 174.600 0.023 0.000 1.029 167 S CA 3.937 62.145 58.200 0.013 0.000 0.988 167 S CB -0.152 63.053 63.200 0.007 0.000 0.838 167 S HN -0.575 7.747 8.310 0.021 0.000 0.462 168 c N 3.154 121.787 118.600 0.056 0.000 2.413 168 c HA -0.330 4.305 4.570 0.109 0.000 0.277 168 c C 1.761 175.927 174.090 0.126 0.000 1.228 168 c CA 2.982 59.375 56.329 0.106 0.000 1.731 168 c CB -1.691 40.894 42.510 0.126 0.000 2.042 168 c HN -0.113 8.150 8.230 0.056 0.000 0.468 169 K N -1.520 118.941 120.400 0.102 0.000 2.211 169 K HA -0.303 4.109 4.320 0.153 0.000 0.203 169 K C 2.298 178.939 176.600 0.069 0.000 1.050 169 K CA 2.929 59.280 56.287 0.105 0.000 0.945 169 K CB -0.277 32.272 32.500 0.081 0.000 0.732 169 K HN -0.050 8.250 8.250 0.085 0.000 0.451 170 S N -1.477 114.242 115.700 0.032 0.000 2.436 170 S HA -0.147 4.331 4.470 0.013 0.000 0.228 170 S C 1.241 175.815 174.600 -0.043 0.000 1.014 170 S CA 2.265 60.466 58.200 0.003 0.000 0.950 170 S CB -0.121 63.075 63.200 -0.005 0.000 0.784 170 S HN -0.273 7.937 8.310 0.033 0.119 0.504 171 A N 0.307 123.073 122.820 -0.091 0.000 1.930 171 A HA -0.068 4.101 4.320 -0.252 0.000 0.215 171 A C -0.124 177.187 177.584 -0.454 0.000 1.176 171 A CA 1.950 53.800 52.037 -0.311 0.000 0.632 171 A CB 0.893 19.628 19.000 -0.442 0.000 0.819 171 A HN -0.489 7.497 8.150 -0.040 0.140 0.445 172 Y N -5.199 115.143 120.300 0.070 0.000 2.553 172 Y HA 0.467 5.094 4.550 0.128 0.000 0.369 172 Y C -2.367 173.597 175.900 0.107 0.000 0.964 172 Y CA -3.632 54.543 58.100 0.125 0.000 1.156 172 Y CB -0.458 38.128 38.460 0.210 0.000 1.218 172 Y HN -0.407 7.909 8.280 0.060 0.000 0.630 173 P HA -0.151 4.454 4.420 0.110 -0.119 0.262 173 P C 0.896 178.270 177.300 0.122 0.000 1.182 173 P CA 1.221 64.390 63.100 0.115 0.000 0.761 173 P CB -0.007 31.732 31.700 0.066 0.000 0.795 174 G N 4.100 112.962 108.800 0.103 0.000 2.189 174 G HA2 -0.375 3.624 3.960 0.064 0.000 0.267 174 G HA3 -0.375 3.622 3.960 0.060 0.000 0.267 174 G C 0.189 175.142 174.900 0.088 0.000 0.975 174 G CA 0.632 45.779 45.100 0.079 0.000 0.644 174 G HN 0.536 8.885 8.290 0.098 0.000 0.537 175 Q N -2.159 117.731 119.800 0.150 0.000 2.217 175 Q HA 0.079 4.455 4.340 0.060 0.000 0.217 175 Q C -0.752 175.383 176.000 0.224 0.000 0.844 175 Q CA -0.507 55.386 55.803 0.150 0.000 0.957 175 Q CB 1.282 30.131 28.738 0.184 0.000 1.127 175 Q HN -0.229 8.083 8.270 0.197 0.077 0.503 176 I N -0.163 120.530 120.570 0.205 0.000 2.354 176 I HA 0.069 4.381 4.170 0.238 0.000 0.292 176 I C -0.272 175.922 176.117 0.129 0.000 0.989 176 I CA -2.154 59.261 61.300 0.191 0.000 1.188 176 I CB -0.304 37.802 38.000 0.177 0.000 1.342 176 I HN -0.411 7.906 8.210 0.179 0.000 0.457 177 T N 2.097 116.724 114.554 0.121 0.000 2.922 177 T HA 0.349 4.740 4.350 0.068 0.000 0.281 177 T C 0.720 175.469 174.700 0.082 0.000 1.005 177 T CA -2.137 60.012 62.100 0.082 0.000 0.982 177 T CB 2.396 71.304 68.868 0.068 0.000 1.158 177 T HN -0.414 7.913 8.240 0.146 0.000 0.566 178 S N -2.272 113.462 115.700 0.056 0.000 2.603 178 S HA -0.192 4.315 4.470 0.061 0.000 0.229 178 S C -0.113 174.523 174.600 0.060 0.000 0.972 178 S CA 1.745 59.975 58.200 0.049 0.000 0.935 178 S CB -0.276 62.933 63.200 0.016 0.000 0.769 178 S HN 0.255 8.590 8.310 0.040 0.000 0.536 179 N N -0.177 118.572 118.700 0.082 0.000 2.238 179 N HA 0.156 4.956 4.740 0.098 0.000 0.222 179 N C -1.798 173.820 175.510 0.180 0.000 1.133 179 N CA -0.297 52.830 53.050 0.128 0.000 0.854 179 N CB 1.021 39.605 38.487 0.161 0.000 1.041 179 N HN -0.635 7.710 8.380 0.082 0.084 0.510 180 M N -1.119 118.574 119.600 0.156 0.000 2.619 180 M HA 0.925 5.673 4.480 0.070 -0.226 0.297 180 M C -2.318 174.091 176.300 0.182 0.000 1.229 180 M CA -0.441 54.927 55.300 0.113 0.000 0.860 180 M CB 5.115 37.761 32.600 0.077 0.000 1.741 180 M HN -0.671 7.616 8.290 0.140 0.087 0.462 181 F N -6.198 113.791 119.950 0.066 0.000 2.668 181 F HA 0.613 5.169 4.527 0.047 0.000 0.309 181 F C -2.763 173.087 175.800 0.084 0.000 1.117 181 F CA -1.609 56.429 58.000 0.062 0.000 0.951 181 F CB 2.319 41.353 39.000 0.056 0.000 1.323 181 F HN 0.179 8.347 8.300 -0.219 0.000 0.451 182 c N -0.371 118.413 118.600 0.308 0.000 2.397 182 c HA 1.015 5.861 4.570 0.123 -0.202 0.343 182 c C -1.010 173.289 174.090 0.349 0.000 1.188 182 c CA -1.021 55.439 56.329 0.218 0.000 1.992 182 c CB 2.937 45.532 42.510 0.142 0.000 2.358 182 c HN 0.872 9.305 8.230 0.338 0.000 0.518 183 A N 2.441 125.435 122.820 0.289 0.000 2.476 183 A HA 0.708 5.248 4.320 0.071 -0.177 0.280 183 A C -2.311 175.320 177.584 0.079 0.000 1.081 183 A CA -0.391 51.720 52.037 0.122 0.000 0.753 183 A CB 2.667 21.632 19.000 -0.057 0.000 1.248 183 A HN 0.331 8.685 8.150 0.340 0.000 0.424 184 Y N 2.653 122.984 120.300 0.053 0.000 2.350 184 Y HA 0.082 4.651 4.550 0.031 0.000 0.340 184 Y C 0.940 176.857 175.900 0.028 0.000 1.006 184 Y CA -0.334 57.788 58.100 0.035 0.000 1.166 184 Y CB 0.830 39.309 38.460 0.031 0.000 1.168 184 Y HN 0.214 8.652 8.280 0.264 0.000 0.502 185 L N 3.650 124.945 121.223 0.120 0.000 2.376 185 L HA -0.257 4.115 4.340 0.054 0.000 0.219 185 L C 1.012 177.926 176.870 0.074 0.000 1.133 185 L CA 1.972 56.853 54.840 0.068 0.000 0.816 185 L CB -0.405 41.672 42.059 0.030 0.000 0.933 185 L HN 0.539 8.822 8.230 0.089 0.000 0.449 186 E N -1.923 118.341 120.200 0.107 0.000 2.358 186 E HA -0.102 4.277 4.350 0.049 0.000 0.195 186 E C 0.769 177.405 176.600 0.061 0.000 1.010 186 E CA 0.240 56.682 56.400 0.070 0.000 0.856 186 E CB -0.276 29.462 29.700 0.065 0.000 0.795 186 E HN 0.078 8.484 8.360 0.160 0.051 0.504 187 G N 0.777 109.631 108.800 0.089 0.000 3.391 187 G HA2 -0.351 3.691 3.960 0.084 0.000 0.683 187 G HA3 -0.351 3.635 3.960 0.045 0.000 0.683 187 G C -0.877 174.044 174.900 0.034 0.000 1.071 187 G CA -0.272 44.867 45.100 0.066 0.000 0.904 187 G HN -0.560 7.653 8.290 0.139 0.159 0.452 188 K N 1.369 121.761 120.400 -0.012 0.000 7.396 188 K HA -0.602 3.957 4.320 -0.003 -0.240 0.647 188 K C -1.333 175.351 176.600 0.139 0.000 2.584 188 K CA 0.519 56.812 56.287 0.009 0.000 1.938 188 K CB 0.025 32.429 32.500 -0.159 0.000 1.962 188 K HN 0.170 8.440 8.250 0.033 0.000 0.295 189 D N -0.155 120.316 120.400 0.119 0.000 2.808 189 D HA 0.272 5.031 4.640 0.198 0.000 0.294 189 D C -1.967 174.399 176.300 0.110 0.000 1.278 189 D CA -0.447 53.640 54.000 0.144 0.000 0.756 189 D CB 4.229 45.098 40.800 0.116 0.000 1.271 189 D HN 0.057 8.473 8.370 0.076 0.000 0.425 190 S N -1.499 114.279 115.700 0.131 0.000 2.693 190 S HA 0.346 4.921 4.470 0.081 -0.056 0.276 190 S C -1.366 173.277 174.600 0.072 0.000 1.192 190 S CA -0.494 57.771 58.200 0.107 0.000 0.994 190 S CB 1.681 64.982 63.200 0.168 0.000 1.012 190 S HN 0.282 8.690 8.310 0.163 0.000 0.550 191 c N -1.041 117.601 118.600 0.071 0.000 3.335 191 c HA 0.376 4.984 4.570 0.062 0.000 0.356 191 c C -1.274 172.882 174.090 0.111 0.000 1.570 191 c CA -1.167 55.202 56.329 0.067 0.000 1.271 191 c CB 3.136 45.665 42.510 0.031 0.000 1.873 191 c HN 0.530 9.173 8.230 0.082 -0.363 0.439 192 Q N 1.446 121.321 119.800 0.125 0.000 2.286 192 Q HA -0.186 4.271 4.340 0.194 0.000 0.290 192 Q C 0.475 176.653 176.000 0.297 0.000 1.049 192 Q CA 1.369 57.292 55.803 0.201 0.000 0.923 192 Q CB -0.181 28.680 28.738 0.204 0.000 1.183 192 Q HN 0.522 8.849 8.270 0.095 0.000 0.383 193 G N 5.110 114.099 108.800 0.315 0.000 2.253 193 G HA2 -0.392 3.773 3.960 0.342 0.000 0.209 193 G HA3 -0.392 3.894 3.960 0.544 0.000 0.209 193 G C 0.214 175.338 174.900 0.373 0.000 0.997 193 G CA 0.849 46.193 45.100 0.406 0.000 0.640 193 G HN 0.764 9.215 8.290 0.267 0.000 0.496 194 D N 1.170 121.724 120.400 0.257 0.000 2.327 194 D HA 0.121 4.899 4.640 0.231 0.000 0.205 194 D C 0.249 176.646 176.300 0.163 0.000 0.989 194 D CA 0.956 55.076 54.000 0.200 0.000 0.873 194 D CB 0.870 41.754 40.800 0.139 0.000 0.955 194 D HN 0.073 8.489 8.370 0.228 0.091 0.515 195 S N -0.370 115.429 115.700 0.165 0.000 2.643 195 S HA -0.611 4.082 4.470 0.136 -0.141 0.310 195 S C 1.005 175.625 174.600 0.034 0.000 1.253 195 S CA 2.713 60.993 58.200 0.135 0.000 1.047 195 S CB 0.131 63.480 63.200 0.249 0.000 0.767 195 S HN -0.351 8.076 8.310 0.194 0.000 0.498 196 G N 4.232 113.027 108.800 -0.009 0.000 2.253 196 G HA2 -0.470 3.531 3.960 -0.054 0.000 0.251 196 G HA3 -0.470 3.554 3.960 -0.064 -0.103 0.251 196 G C -0.226 174.700 174.900 0.044 0.000 0.998 196 G CA 0.229 45.312 45.100 -0.028 0.000 0.621 196 G HN 0.741 8.936 8.290 0.010 0.101 0.524 197 G N 0.704 109.555 108.800 0.085 0.000 2.588 197 G HA2 0.403 4.501 3.960 0.111 0.000 0.281 197 G HA3 0.403 4.429 3.960 0.110 0.000 0.281 197 G C -2.719 172.259 174.900 0.129 0.000 1.236 197 G CA -2.031 43.135 45.100 0.110 0.000 0.969 197 G HN -0.211 8.043 8.290 0.092 0.091 0.504 198 P HA 0.396 5.028 4.420 0.134 -0.132 0.284 198 P C -1.654 175.717 177.300 0.118 0.000 1.258 198 P CA -0.989 62.204 63.100 0.156 0.000 0.824 198 P CB 1.741 33.599 31.700 0.263 0.000 1.038 199 V N 2.335 122.301 119.914 0.087 0.000 2.419 199 V HA 0.303 4.597 4.120 0.004 -0.171 0.287 199 V C -1.266 174.847 176.094 0.031 0.000 1.017 199 V CA -0.479 61.840 62.300 0.030 0.000 0.844 199 V CB 1.708 33.537 31.823 0.009 0.000 1.011 199 V HN -0.188 8.058 8.190 0.094 0.000 0.429 200 V N 7.979 127.901 119.914 0.014 0.000 2.417 200 V HA 0.584 4.854 4.120 -0.060 -0.185 0.291 200 V C -1.386 174.692 176.094 -0.027 0.000 1.024 200 V CA -1.164 61.116 62.300 -0.033 0.000 0.861 200 V CB 2.730 34.521 31.823 -0.053 0.000 0.985 200 V HN 0.510 8.721 8.190 0.035 0.000 0.436 201 c N 7.775 126.346 118.600 -0.049 0.000 2.397 201 c HA 0.565 5.112 4.570 -0.038 0.000 0.325 201 c C 0.092 174.151 174.090 -0.050 0.000 1.201 201 c CA -1.183 55.114 56.329 -0.053 0.000 1.377 201 c CB 1.653 44.112 42.510 -0.084 0.000 2.038 201 c HN 0.782 8.976 8.230 -0.060 0.000 0.457 202 S N 5.541 121.220 115.700 -0.035 0.000 3.614 202 S HA -0.335 4.124 4.470 -0.019 0.000 0.360 202 S C 0.369 174.949 174.600 -0.034 0.000 1.023 202 S CA 0.974 59.157 58.200 -0.030 0.000 1.114 202 S CB -1.152 62.026 63.200 -0.035 0.000 0.907 202 S HN 1.091 9.385 8.310 -0.026 0.000 0.470 203 G N -5.134 103.644 108.800 -0.037 0.000 2.168 203 G HA2 -0.357 3.565 3.960 -0.063 0.000 0.257 203 G HA3 -0.357 3.581 3.960 -0.038 0.000 0.257 203 G C -0.756 174.091 174.900 -0.088 0.000 0.997 203 G CA 0.517 45.584 45.100 -0.056 0.000 0.708 203 G HN 0.320 8.586 8.290 -0.028 0.008 0.520 210 Q N 1.195 121.018 119.800 0.038 0.000 2.396 210 Q HA 0.193 4.575 4.340 0.069 0.000 0.220 210 Q C -0.177 175.991 176.000 0.279 0.000 0.900 210 Q CA 0.218 56.069 55.803 0.080 0.000 0.925 210 Q CB 2.671 31.375 28.738 -0.056 0.000 1.065 210 Q HN 0.451 8.733 8.270 0.021 0.000 0.535 211 G N -3.174 105.800 108.800 0.290 0.000 2.694 211 G HA2 0.644 5.092 3.960 0.392 0.000 0.290 211 G HA3 0.644 4.857 3.960 0.422 0.000 0.290 211 G C -3.200 171.814 174.900 0.191 0.000 1.386 211 G CA -0.883 44.424 45.100 0.344 0.000 0.872 211 G HN -0.241 8.156 8.290 0.179 0.000 0.475 212 I N -1.291 119.381 120.570 0.171 0.000 2.533 212 I HA 0.605 5.094 4.170 0.143 -0.233 0.290 212 I C -0.451 175.774 176.117 0.181 0.000 1.056 212 I CA -1.417 59.966 61.300 0.139 0.000 1.057 212 I CB 4.378 42.418 38.000 0.067 0.000 1.240 212 I HN -0.402 7.970 8.210 0.143 -0.076 0.423 213 V N 7.102 127.136 119.914 0.200 0.000 2.540 213 V HA -0.210 3.945 4.120 0.058 0.000 0.297 213 V C -1.120 174.968 176.094 -0.009 0.000 1.024 213 V CA 2.224 64.590 62.300 0.109 0.000 1.105 213 V CB -0.811 31.103 31.823 0.151 0.000 0.938 213 V HN 0.471 8.662 8.190 0.178 0.107 0.482 214 S N 7.411 123.009 115.700 -0.170 0.000 3.334 214 S HA 0.304 4.934 4.470 0.268 0.000 0.224 214 S C -0.916 173.794 174.600 0.183 0.000 0.959 214 S CA 0.802 59.059 58.200 0.094 0.000 0.815 214 S CB 2.590 65.838 63.200 0.081 0.000 0.861 214 S HN -0.048 7.943 8.310 -0.532 0.000 0.596 215 W N -3.941 117.212 121.300 -0.246 0.000 3.069 215 W HA 0.291 4.854 4.660 -0.161 0.000 0.390 215 W C -2.711 173.645 176.519 -0.271 0.000 1.130 215 W CA -0.925 56.286 57.345 -0.225 0.000 1.138 215 W CB 0.655 29.981 29.460 -0.223 0.000 1.497 215 W HN -0.455 7.417 8.180 -0.513 0.000 0.600 216 G N -3.003 105.911 108.800 0.189 0.000 2.349 216 G HA2 0.124 3.869 3.960 -0.360 0.000 0.294 216 G HA3 0.124 4.045 3.960 -0.066 0.000 0.294 216 G C -2.250 172.796 174.900 0.243 0.000 1.380 216 G CA 0.258 45.350 45.100 -0.013 0.000 0.811 216 G HN -0.038 8.537 8.290 0.476 0.000 0.519 220 c N 1.822 120.459 118.600 0.062 0.000 3.370 220 c HA 0.329 5.103 4.570 0.062 -0.167 0.190 220 c C -1.415 172.706 174.090 0.052 0.000 1.647 220 c CA -1.044 55.318 56.329 0.055 0.000 1.277 220 c CB -1.387 41.146 42.510 0.038 0.000 2.037 220 c HN 0.307 8.570 8.230 0.055 0.000 0.537 221 Q N -2.083 117.753 119.800 0.060 0.000 2.889 221 Q HA 0.130 4.493 4.340 0.039 0.000 0.262 221 Q C -1.448 174.579 176.000 0.045 0.000 0.966 221 Q CA -1.036 54.796 55.803 0.048 0.000 0.858 221 Q CB 2.027 30.796 28.738 0.051 0.000 1.845 221 Q HN -0.096 8.216 8.270 0.071 0.000 0.464 222 K N 3.505 123.924 120.400 0.031 0.000 2.448 222 K HA -0.257 4.201 4.320 0.037 -0.116 0.278 222 K C 0.164 176.767 176.600 0.004 0.000 1.009 222 K CA 0.694 56.995 56.287 0.024 0.000 0.995 222 K CB -0.053 32.457 32.500 0.017 0.000 0.917 222 K HN 0.255 8.521 8.250 0.027 0.000 0.481 223 N N 2.302 121.001 118.700 -0.002 0.000 2.732 223 N HA -0.470 4.249 4.740 -0.036 0.000 0.250 223 N C -1.578 173.866 175.510 -0.110 0.000 1.097 223 N CA 1.843 54.865 53.050 -0.047 0.000 0.812 223 N CB -0.390 38.062 38.487 -0.057 0.000 1.148 223 N HN 0.704 8.970 8.380 0.018 0.125 0.572 224 K N -1.953 118.414 120.400 -0.054 0.000 2.679 224 K HA 0.532 4.672 4.320 -0.299 0.000 0.188 224 K C -2.297 174.363 176.600 0.100 0.000 1.055 224 K CA -3.483 52.774 56.287 -0.050 0.000 1.006 224 K CB -0.251 32.279 32.500 0.050 0.000 1.317 224 K HN -0.752 7.430 8.250 0.000 0.068 0.584 225 P HA -0.059 4.431 4.420 0.116 0.000 0.273 225 P C -0.499 176.864 177.300 0.105 0.000 1.250 225 P CA -0.384 62.792 63.100 0.126 0.000 0.793 225 P CB 1.117 32.878 31.700 0.102 0.000 1.011 226 G N -2.384 106.448 108.800 0.053 0.000 2.476 226 G HA2 0.350 4.119 3.960 -0.319 0.000 0.269 226 G HA3 0.350 4.206 3.960 -0.174 0.000 0.269 226 G C -1.881 172.742 174.900 -0.462 0.000 1.195 226 G CA -0.845 44.119 45.100 -0.227 0.000 0.843 226 G HN -0.380 7.998 8.290 0.147 0.000 0.545 227 V N 1.345 120.629 119.914 -1.049 0.000 2.555 227 V HA 0.719 4.646 4.120 -0.627 -0.183 0.302 227 V C -0.902 174.416 176.094 -1.294 0.000 1.038 227 V CA -1.086 60.554 62.300 -1.100 0.000 0.887 227 V CB 2.279 33.031 31.823 -1.786 0.000 0.991 227 V HN 0.123 7.633 8.190 -1.132 0.000 0.434 228 Y N 4.587 124.463 120.300 -0.707 0.000 2.570 228 Y HA 0.563 4.994 4.550 -0.416 -0.130 0.345 228 Y C 0.183 175.763 175.900 -0.533 0.000 1.014 228 Y CA -2.194 55.487 58.100 -0.700 0.000 1.063 228 Y CB 3.969 41.708 38.460 -1.202 0.000 1.272 228 Y HN 1.034 8.948 8.280 -0.611 0.000 0.477 229 T N 4.191 118.676 114.554 -0.115 0.000 2.832 229 T HA 0.136 4.680 4.350 0.066 -0.154 0.296 229 T C -0.811 173.996 174.700 0.180 0.000 0.968 229 T CA 0.917 63.042 62.100 0.043 0.000 1.107 229 T CB 0.655 69.541 68.868 0.030 0.000 0.916 229 T HN 0.498 8.708 8.240 -0.051 0.000 0.517 230 K N 8.250 128.843 120.400 0.323 0.000 2.171 230 K HA 0.094 4.809 4.320 0.658 0.000 0.274 230 K C 1.104 177.946 176.600 0.404 0.000 1.110 230 K CA -0.439 56.120 56.287 0.453 0.000 0.952 230 K CB -0.320 32.399 32.500 0.366 0.000 1.309 230 K HN 0.294 8.610 8.250 0.288 0.107 0.414 231 V N 6.342 126.474 119.914 0.363 0.000 2.392 231 V HA -0.527 3.869 4.120 0.460 0.000 0.249 231 V C 1.387 177.639 176.094 0.263 0.000 1.059 231 V CA 3.948 66.449 62.300 0.336 0.000 1.051 231 V CB -0.271 31.683 31.823 0.218 0.000 0.658 231 V HN 0.349 8.765 8.190 0.377 0.000 0.455 232 c N -3.980 114.715 118.600 0.157 0.000 2.409 232 c HA -0.203 4.410 4.570 0.072 0.000 0.284 232 c C 1.350 175.457 174.090 0.028 0.000 1.354 232 c CA 1.510 57.883 56.329 0.073 0.000 1.787 232 c CB -2.099 40.426 42.510 0.024 0.000 1.900 232 c HN 0.488 8.796 8.230 0.158 0.017 0.520 233 N N 0.608 119.296 118.700 -0.021 0.000 2.463 233 N HA -0.064 4.571 4.740 -0.176 0.000 0.181 233 N C 0.366 175.618 175.510 -0.429 0.000 1.078 233 N CA 1.217 54.103 53.050 -0.272 0.000 0.902 233 N CB 0.042 38.227 38.487 -0.504 0.000 0.970 233 N HN -0.396 7.970 8.380 0.069 0.055 0.451 234 Y N -4.170 116.189 120.300 0.099 0.000 2.481 234 Y HA 0.154 4.828 4.550 0.206 0.000 0.247 234 Y C 0.379 176.417 175.900 0.230 0.000 1.151 234 Y CA -0.266 57.949 58.100 0.192 0.000 1.238 234 Y CB 0.045 38.632 38.460 0.211 0.000 1.179 234 Y HN -0.173 8.045 8.280 0.196 0.179 0.524 235 V N 1.058 121.114 119.914 0.237 0.000 2.332 235 V HA -0.551 3.666 4.120 0.162 0.000 0.248 235 V C 1.427 177.594 176.094 0.122 0.000 1.055 235 V CA 4.997 67.390 62.300 0.155 0.000 1.038 235 V CB -0.845 31.028 31.823 0.085 0.000 0.651 235 V HN -0.384 7.907 8.190 0.169 0.000 0.450 236 S N -0.365 115.410 115.700 0.125 0.000 2.406 236 S HA -0.283 4.210 4.470 0.038 0.000 0.228 236 S C 1.747 176.420 174.600 0.122 0.000 1.020 236 S CA 2.893 61.146 58.200 0.088 0.000 0.965 236 S CB -0.318 62.930 63.200 0.081 0.000 0.798 236 S HN -0.041 8.343 8.310 0.124 0.000 0.488 237 W N 4.221 125.561 121.300 0.066 0.000 2.355 237 W HA -0.178 4.516 4.660 0.057 0.000 0.309 237 W C 1.645 178.183 176.519 0.031 0.000 1.206 237 W CA 3.024 60.424 57.345 0.090 0.000 1.284 237 W CB 0.024 29.628 29.460 0.239 0.000 1.145 237 W HN -0.454 7.943 8.180 0.384 0.014 0.502 238 I N -0.807 119.789 120.570 0.043 0.000 2.127 238 I HA -0.769 3.028 4.170 -0.622 0.000 0.241 238 I C 1.818 177.711 176.117 -0.374 0.000 1.075 238 I CA 4.552 65.687 61.300 -0.274 0.000 1.334 238 I CB -0.284 37.707 38.000 -0.015 0.000 1.040 238 I HN 0.516 8.948 8.210 0.370 0.000 0.405 239 K N -1.138 119.141 120.400 -0.202 0.000 2.063 239 K HA -0.416 3.759 4.320 -0.242 0.000 0.208 239 K C 2.930 179.387 176.600 -0.239 0.000 1.048 239 K CA 3.681 59.846 56.287 -0.204 0.000 0.928 239 K CB -0.357 32.082 32.500 -0.102 0.000 0.713 239 K HN -0.165 8.034 8.250 -0.086 0.000 0.442 240 Q N -2.061 117.605 119.800 -0.223 0.000 2.083 240 Q HA -0.245 4.005 4.340 -0.151 0.000 0.198 240 Q C 2.550 178.370 176.000 -0.300 0.000 0.969 240 Q CA 3.229 58.911 55.803 -0.201 0.000 0.838 240 Q CB 0.113 28.776 28.738 -0.125 0.000 0.900 240 Q HN 0.118 8.276 8.270 -0.186 0.000 0.436 241 T N 3.045 117.298 114.554 -0.502 0.000 2.708 241 T HA -0.293 3.826 4.350 -0.386 0.000 0.266 241 T C 2.294 176.692 174.700 -0.504 0.000 1.037 241 T CA 5.023 66.787 62.100 -0.560 0.000 1.146 241 T CB -0.181 68.088 68.868 -0.998 0.000 0.865 241 T HN -0.008 7.863 8.240 -0.615 0.000 0.435 242 I N 0.590 120.744 120.570 -0.693 0.000 2.286 242 I HA -0.441 3.016 4.170 -1.187 0.000 0.248 242 I C 1.850 177.767 176.117 -0.333 0.000 1.115 242 I CA 3.731 64.527 61.300 -0.841 0.000 1.392 242 I CB -0.447 36.954 38.000 -0.998 0.000 1.065 242 I HN 0.035 7.821 8.210 -0.707 0.000 0.418 243 A N -1.336 121.330 122.820 -0.256 0.000 2.067 243 A HA -0.146 4.122 4.320 -0.086 0.000 0.219 243 A C 0.767 178.311 177.584 -0.068 0.000 1.158 243 A CA 2.532 54.495 52.037 -0.122 0.000 0.661 243 A CB -0.486 18.449 19.000 -0.109 0.000 0.801 243 A HN -0.190 7.768 8.150 -0.305 0.009 0.452 244 S N -4.240 111.410 115.700 -0.084 0.000 2.554 244 S HA 0.135 4.596 4.470 -0.014 0.000 0.226 244 S C -0.864 173.750 174.600 0.024 0.000 0.980 244 S CA 0.320 58.502 58.200 -0.030 0.000 0.939 244 S CB 1.224 64.395 63.200 -0.048 0.000 0.832 244 S HN -0.403 7.665 8.310 -0.151 0.152 0.486 245 N N 0.000 118.748 118.700 0.081 0.000 1.763 245 N HA 0.000 4.820 4.740 0.133 0.000 0.220 245 N CA 0.000 53.173 53.050 0.205 0.000 0.885 245 N CB 0.000 38.686 38.487 0.332 0.000 1.341 245 N HN 0.000 8.244 8.380 0.050 0.166 0.667