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 1o3a_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 0.000 176.102 176.117 -0.026 0.000 1.063 16 I CA 0.000 61.286 61.300 -0.024 0.000 1.566 16 I CB 0.000 37.952 38.000 -0.080 0.000 1.214 17 V N 5.547 125.459 119.914 -0.004 0.000 2.459 17 V HA 0.329 4.435 4.120 -0.023 0.000 0.295 17 V C 0.136 176.227 176.094 -0.004 0.000 1.029 17 V CA -1.628 60.667 62.300 -0.008 0.000 0.874 17 V CB 1.674 33.499 31.823 0.003 0.000 0.985 17 V HN 0.825 9.026 8.190 0.019 0.000 0.438 18 G N 5.849 114.641 108.800 -0.013 0.000 2.143 18 G HA2 -0.372 3.578 3.960 -0.016 0.000 0.248 18 G HA3 -0.372 3.718 3.960 -0.031 -0.149 0.248 18 G C -0.507 174.396 174.900 0.005 0.000 0.991 18 G CA 0.269 45.360 45.100 -0.016 0.000 0.689 18 G HN 0.510 8.791 8.290 -0.016 0.000 0.522 19 G N -1.260 107.540 108.800 -0.001 0.000 2.671 19 G HA2 0.488 4.470 3.960 0.079 0.000 0.275 19 G HA3 0.488 4.500 3.960 -0.099 -0.111 0.275 19 G C -1.704 173.231 174.900 0.057 0.000 1.368 19 G CA -1.119 43.981 45.100 -0.000 0.000 1.044 19 G HN -0.700 7.541 8.290 -0.019 0.037 0.543 20 Y N -6.123 114.154 120.300 -0.039 0.000 2.634 20 Y HA 0.401 4.930 4.550 -0.034 0.000 0.340 20 Y C -1.691 174.180 175.900 -0.049 0.000 1.058 20 Y CA -3.024 55.053 58.100 -0.038 0.000 1.081 20 Y CB 1.233 39.675 38.460 -0.031 0.000 1.295 20 Y HN 0.321 8.179 8.280 -0.523 0.108 0.487 21 T N 2.550 117.157 114.554 0.088 0.000 2.769 21 T HA 0.088 4.538 4.350 -0.095 -0.157 0.293 21 T C 0.023 174.739 174.700 0.027 0.000 0.931 21 T CA 1.226 63.325 62.100 -0.001 0.000 1.139 21 T CB -0.430 68.463 68.868 0.041 0.000 0.881 21 T HN 0.115 8.458 8.240 0.172 0.000 0.532 22 c N 5.473 123.998 118.600 -0.124 0.000 2.401 22 c HA -0.189 4.365 4.570 -0.027 0.000 0.276 22 c C 0.415 174.520 174.090 0.025 0.000 1.233 22 c CA 0.944 57.229 56.329 -0.074 0.000 1.753 22 c CB -0.167 42.235 42.510 -0.180 0.000 2.029 22 c HN 0.015 8.118 8.230 -0.212 0.000 0.478 23 G N -2.234 106.568 108.800 0.005 0.000 2.885 23 G HA2 -0.168 3.810 3.960 0.029 0.000 0.685 23 G HA3 -0.168 3.813 3.960 0.034 0.000 0.685 23 G C -1.984 172.920 174.900 0.006 0.000 1.216 23 G CA -0.801 44.313 45.100 0.023 0.000 0.790 23 G HN -0.375 7.902 8.290 -0.021 0.000 0.631 24 A N 3.910 126.741 122.820 0.019 0.000 2.566 24 A HA -0.256 4.175 4.320 0.033 -0.091 0.245 24 A C -0.057 177.536 177.584 0.014 0.000 1.056 24 A CA 1.108 53.160 52.037 0.024 0.000 0.757 24 A CB -0.005 19.014 19.000 0.032 0.000 0.979 24 A HN 0.334 8.499 8.150 0.024 0.000 0.508 25 N N -2.613 116.094 118.700 0.012 0.000 2.693 25 N HA -0.404 4.333 4.740 -0.005 0.000 0.249 25 N C 0.284 175.777 175.510 -0.027 0.000 1.119 25 N CA 1.586 54.635 53.050 -0.003 0.000 0.717 25 N CB -1.134 37.363 38.487 0.015 0.000 1.071 25 N HN 0.542 8.938 8.380 0.026 0.000 0.555 26 T N -3.762 110.767 114.554 -0.043 0.000 3.113 26 T HA -0.000 4.342 4.350 -0.012 0.000 0.256 26 T C -0.111 174.536 174.700 -0.088 0.000 1.131 26 T CA 2.024 64.101 62.100 -0.037 0.000 1.074 26 T CB 0.446 69.306 68.868 -0.013 0.000 0.944 26 T HN -0.548 7.635 8.240 -0.045 0.030 0.516 27 V N 1.815 121.616 119.914 -0.187 0.000 2.384 27 V HA 0.364 4.198 4.120 -0.477 0.000 0.257 27 V C -1.630 174.173 176.094 -0.484 0.000 0.969 27 V CA -3.299 58.725 62.300 -0.460 0.000 0.910 27 V CB 0.578 32.107 31.823 -0.490 0.000 1.150 27 V HN -0.550 7.463 8.190 -0.153 0.085 0.481 28 P HA 0.076 4.521 4.420 -0.070 -0.067 0.234 28 P C -0.241 177.035 177.300 -0.039 0.000 1.167 28 P CA 1.388 64.431 63.100 -0.095 0.000 0.763 28 P CB -0.017 31.687 31.700 0.007 0.000 0.835 29 Y N -5.975 114.351 120.300 0.043 0.000 2.462 29 Y HA 0.505 5.240 4.550 0.055 -0.152 0.261 29 Y C -0.629 175.307 175.900 0.060 0.000 1.146 29 Y CA -3.005 55.124 58.100 0.050 0.000 1.283 29 Y CB -0.918 37.566 38.460 0.040 0.000 1.090 29 Y HN -0.440 7.283 8.280 -0.785 0.085 0.526 30 Q N 2.813 122.518 119.800 -0.159 0.000 2.313 30 Q HA 0.213 4.749 4.340 0.088 -0.143 0.266 30 Q C -0.266 175.815 176.000 0.135 0.000 0.989 30 Q CA 0.263 56.059 55.803 -0.012 0.000 0.890 30 Q CB 0.993 29.623 28.738 -0.181 0.000 1.200 30 Q HN -0.659 7.301 8.270 -0.427 0.054 0.396 31 V N 1.740 121.762 119.914 0.180 0.000 2.960 31 V HA 0.798 5.119 4.120 0.156 -0.108 0.315 31 V C -2.010 174.209 176.094 0.208 0.000 1.087 31 V CA -2.851 59.542 62.300 0.156 0.000 0.982 31 V CB 3.886 35.755 31.823 0.078 0.000 1.039 31 V HN 0.449 8.647 8.190 0.172 0.096 0.437 32 S N 0.642 116.373 115.700 0.052 0.000 2.472 32 S HA 0.517 5.235 4.470 0.216 -0.118 0.303 32 S C -1.187 173.288 174.600 -0.208 0.000 1.099 32 S CA -2.192 55.994 58.200 -0.022 0.000 1.077 32 S CB 2.023 64.993 63.200 -0.384 0.000 1.031 32 S HN 0.203 8.498 8.310 -0.025 0.000 0.487 33 L N 6.127 127.100 121.223 -0.417 0.000 2.282 33 L HA 0.661 4.925 4.340 -0.357 -0.138 0.288 33 L C -1.560 174.881 176.870 -0.715 0.000 1.033 33 L CA -0.984 53.497 54.840 -0.599 0.000 0.807 33 L CB 1.220 42.702 42.059 -0.963 0.000 1.209 33 L HN 0.225 8.157 8.230 -0.497 0.000 0.423 38 G N 0.068 108.865 108.800 -0.005 0.000 2.238 38 G HA2 -0.283 3.717 3.960 0.067 0.000 0.217 38 G HA3 -0.283 3.819 3.960 0.236 0.000 0.217 38 G C -1.428 173.631 174.900 0.266 0.000 0.996 38 G CA 0.314 45.506 45.100 0.154 0.000 0.632 38 G HN 0.272 8.796 8.290 -0.084 -0.284 0.503 39 Y N -6.478 113.810 120.300 -0.019 0.000 2.788 39 Y HA 0.266 4.787 4.550 -0.048 0.000 0.335 39 Y C -2.524 173.384 175.900 0.012 0.000 1.287 39 Y CA -3.529 54.559 58.100 -0.020 0.000 1.068 39 Y CB 0.747 39.194 38.460 -0.021 0.000 1.340 39 Y HN -1.153 6.997 8.280 -0.211 0.003 0.449 40 H N 1.705 120.697 119.070 -0.130 0.000 2.580 40 H HA 0.284 4.788 4.556 -0.401 -0.189 0.322 40 H C -0.335 174.907 175.328 -0.144 0.000 1.082 40 H CA -1.317 54.575 56.048 -0.259 0.000 1.383 40 H CB 0.810 30.433 29.762 -0.231 0.000 1.450 40 H HN 0.174 8.555 8.280 0.169 0.000 0.505 41 F N 2.059 121.546 119.950 -0.771 0.000 2.880 41 F HA 0.354 4.749 4.527 -0.221 0.000 0.346 41 F C -1.376 174.175 175.800 -0.415 0.000 1.054 41 F CA -0.783 56.949 58.000 -0.447 0.000 1.151 41 F CB 1.344 40.137 39.000 -0.346 0.000 1.066 41 F HN -0.120 7.338 8.300 -1.403 0.000 0.566 42 c N -1.507 116.424 118.600 -1.116 0.000 3.306 42 c HA 0.294 4.733 4.570 -0.217 0.000 0.335 42 c C -1.868 171.980 174.090 -0.403 0.000 1.382 42 c CA -0.136 55.871 56.329 -0.536 0.000 1.254 42 c CB 4.086 46.371 42.510 -0.374 0.000 1.555 42 c HN -0.838 6.399 8.230 -1.654 0.000 0.463 43 G N -1.197 107.578 108.800 -0.042 0.000 2.735 43 G HA2 0.848 5.052 3.960 0.202 0.000 0.301 43 G HA3 0.848 4.958 3.960 0.250 0.000 0.301 43 G C -2.621 172.302 174.900 0.040 0.000 1.279 43 G CA -1.678 43.506 45.100 0.141 0.000 1.019 43 G HN 0.467 8.746 8.290 -0.019 0.000 0.497 44 G N -3.817 105.037 108.800 0.089 0.000 2.548 44 G HA2 0.608 4.823 3.960 0.061 0.000 0.301 44 G HA3 0.608 4.593 3.960 0.042 0.000 0.301 44 G C -2.907 172.068 174.900 0.126 0.000 1.349 44 G CA 0.168 45.312 45.100 0.072 0.000 0.792 44 G HN -0.302 8.076 8.290 0.147 0.000 0.481 45 S N -0.529 115.250 115.700 0.132 0.000 2.521 45 S HA 0.758 5.555 4.470 0.244 -0.180 0.295 45 S C -1.444 173.253 174.600 0.162 0.000 1.098 45 S CA -0.770 57.541 58.200 0.185 0.000 0.999 45 S CB 3.751 67.050 63.200 0.165 0.000 1.034 45 S HN 0.459 8.833 8.310 0.108 0.000 0.483 46 L N 6.326 127.661 121.223 0.188 0.000 2.315 46 L HA 0.156 4.581 4.340 0.142 0.000 0.283 46 L C -0.787 176.165 176.870 0.137 0.000 1.089 46 L CA -0.193 54.740 54.840 0.155 0.000 0.833 46 L CB 0.875 43.026 42.059 0.152 0.000 1.170 46 L HN 0.680 8.946 8.230 0.247 0.112 0.442 47 I N 0.176 120.823 120.570 0.128 0.000 4.070 47 I HA 0.430 4.775 4.170 0.060 -0.139 0.328 47 I C -0.998 175.173 176.117 0.090 0.000 1.298 47 I CA -0.567 60.785 61.300 0.087 0.000 1.173 47 I CB 0.633 38.673 38.000 0.067 0.000 1.051 47 I HN 0.419 8.723 8.210 0.156 0.000 0.409 48 N N -2.261 116.516 118.700 0.129 0.000 3.179 48 N HA 0.216 5.011 4.740 0.092 0.000 0.250 48 N C -0.418 175.171 175.510 0.131 0.000 1.507 48 N CA -0.701 52.423 53.050 0.124 0.000 0.883 48 N CB 1.030 39.603 38.487 0.144 0.000 1.435 48 N HN -0.859 7.614 8.380 0.155 0.000 0.532 49 S N -3.060 112.705 115.700 0.109 0.000 2.469 49 S HA -0.349 4.164 4.470 0.071 0.000 0.238 49 S C 0.788 175.422 174.600 0.058 0.000 0.998 49 S CA 2.892 61.139 58.200 0.078 0.000 0.957 49 S CB -0.077 63.158 63.200 0.059 0.000 0.764 49 S HN 0.398 8.770 8.310 0.103 0.000 0.514 50 Q N -0.914 118.934 119.800 0.080 0.000 2.118 50 Q HA 0.332 4.625 4.340 -0.079 0.000 0.219 50 Q C -2.280 173.612 176.000 -0.181 0.000 0.794 50 Q CA -0.696 55.069 55.803 -0.064 0.000 1.035 50 Q CB 2.502 31.175 28.738 -0.108 0.000 1.177 50 Q HN 0.072 8.765 8.270 0.167 -0.323 0.478 51 W N -2.623 118.685 121.300 0.013 0.000 2.998 51 W HA 0.598 5.451 4.660 0.010 -0.187 0.335 51 W C -1.581 174.951 176.519 0.023 0.000 1.110 51 W CA -0.981 56.370 57.345 0.011 0.000 1.230 51 W CB 3.632 33.090 29.460 -0.004 0.000 1.405 51 W HN -0.690 7.695 8.180 0.234 -0.065 0.493 52 V N 1.438 121.510 119.914 0.264 0.000 2.864 52 V HA 0.848 5.258 4.120 0.164 -0.192 0.314 52 V C -1.280 174.926 176.094 0.187 0.000 1.073 52 V CA -1.856 60.549 62.300 0.175 0.000 0.956 52 V CB 3.585 35.471 31.823 0.104 0.000 1.023 52 V HN 0.793 9.150 8.190 0.279 0.000 0.435 53 V N 5.470 125.468 119.914 0.140 0.000 2.540 53 V HA 0.746 5.127 4.120 0.148 -0.173 0.302 53 V C -1.445 174.699 176.094 0.084 0.000 1.035 53 V CA -1.195 61.178 62.300 0.123 0.000 0.873 53 V CB 2.738 34.626 31.823 0.108 0.000 0.992 53 V HN 0.665 8.931 8.190 0.127 0.000 0.428 54 S N 4.554 120.289 115.700 0.059 0.000 2.903 54 S HA 0.553 5.215 4.470 0.015 -0.184 0.314 54 S C -2.062 172.515 174.600 -0.038 0.000 1.177 54 S CA -2.711 55.494 58.200 0.008 0.000 0.859 54 S CB 2.552 65.748 63.200 -0.007 0.000 1.265 54 S HN 0.782 9.030 8.310 0.077 0.108 0.584 55 A N -0.367 122.385 122.820 -0.113 0.000 2.312 55 A HA 0.486 4.867 4.320 -0.174 -0.166 0.326 55 A C 0.628 178.041 177.584 -0.284 0.000 1.172 55 A CA -1.613 50.292 52.037 -0.220 0.000 0.821 55 A CB 1.826 20.614 19.000 -0.354 0.000 1.166 55 A HN 0.284 8.364 8.150 -0.117 0.000 0.493 56 A N 5.108 127.709 122.820 -0.365 0.000 1.978 56 A HA -0.273 3.859 4.320 -0.314 0.000 0.220 56 A C 1.023 178.346 177.584 -0.435 0.000 1.170 56 A CA 2.860 54.570 52.037 -0.545 0.000 0.636 56 A CB -0.536 17.717 19.000 -1.244 0.000 0.810 56 A HN 0.673 8.612 8.150 -0.341 0.007 0.448 57 H N -5.627 113.304 119.070 -0.232 0.000 2.556 57 H HA -0.011 4.580 4.556 0.059 0.000 0.268 57 H C 0.128 175.503 175.328 0.079 0.000 0.996 57 H CA 0.928 56.984 56.048 0.014 0.000 1.157 57 H CB -0.782 29.063 29.762 0.137 0.000 1.355 57 H HN -0.267 7.965 8.280 -0.405 -0.195 0.597 58 c N -1.140 117.383 118.600 -0.129 0.000 2.625 58 c HA 0.015 4.715 4.570 0.217 0.000 0.285 58 c C -0.839 173.350 174.090 0.165 0.000 1.279 58 c CA 0.263 56.649 56.329 0.095 0.000 1.698 58 c CB -2.031 40.503 42.510 0.039 0.000 1.821 58 c HN -0.264 7.615 8.230 -0.273 0.188 0.600 59 Y N 2.157 122.463 120.300 0.011 0.000 2.411 59 Y HA -0.187 4.384 4.550 0.034 0.000 0.333 59 Y C -1.147 174.735 175.900 -0.029 0.000 1.186 59 Y CA 1.712 59.816 58.100 0.008 0.000 1.381 59 Y CB 1.126 39.578 38.460 -0.013 0.000 1.273 59 Y HN -0.646 7.647 8.280 0.176 0.093 0.546 60 K N 6.145 125.858 120.400 -1.145 0.000 2.755 60 K HA 0.195 4.078 4.320 -0.728 0.000 0.294 60 K C -2.339 173.765 176.600 -0.827 0.000 1.060 60 K CA -0.825 54.952 56.287 -0.851 0.000 0.845 60 K CB 2.214 34.380 32.500 -0.557 0.000 1.539 60 K HN -0.085 7.360 8.250 -1.343 0.000 0.379 61 S N -0.571 114.859 115.700 -0.450 0.000 2.621 61 S HA 0.172 4.485 4.470 -0.263 0.000 0.302 61 S C 0.633 175.116 174.600 -0.195 0.000 1.093 61 S CA -0.431 57.613 58.200 -0.259 0.000 1.017 61 S CB 1.446 64.568 63.200 -0.130 0.000 1.077 61 S HN -0.177 7.922 8.310 -0.352 0.000 0.517 62 G N 0.327 109.051 108.800 -0.126 0.000 2.248 62 G HA2 -0.150 3.769 3.960 -0.068 0.000 0.252 62 G HA3 -0.150 3.752 3.960 -0.098 0.000 0.252 62 G C -1.523 173.326 174.900 -0.085 0.000 1.085 62 G CA 0.024 45.068 45.100 -0.094 0.000 0.845 62 G HN 0.321 8.549 8.290 -0.104 0.000 0.494 63 I N -1.171 119.357 120.570 -0.069 0.000 2.359 63 I HA 0.126 4.444 4.170 0.033 -0.128 0.294 63 I C -1.657 174.433 176.117 -0.046 0.000 0.987 63 I CA -0.971 60.320 61.300 -0.016 0.000 1.225 63 I CB 1.004 39.015 38.000 0.017 0.000 1.366 63 I HN -0.499 7.663 8.210 -0.080 0.000 0.466 64 Q N 7.160 126.918 119.800 -0.069 0.000 3.184 64 Q HA 0.676 5.074 4.340 -0.068 -0.099 0.236 64 Q C -1.599 174.317 176.000 -0.139 0.000 1.038 64 Q CA -2.043 53.701 55.803 -0.099 0.000 0.857 64 Q CB 4.288 32.944 28.738 -0.136 0.000 1.957 64 Q HN 0.370 8.601 8.270 -0.064 0.000 0.453 65 R N -2.779 117.625 120.500 -0.161 0.000 2.937 65 R HA 0.389 4.863 4.340 -0.017 -0.144 0.273 65 R C -1.410 174.888 176.300 -0.002 0.000 1.176 65 R CA 0.096 56.108 56.100 -0.147 0.000 1.132 65 R CB 2.648 32.666 30.300 -0.470 0.000 1.270 65 R HN 0.741 8.906 8.270 -0.175 0.000 0.425 70 E N -0.978 119.305 120.200 0.138 0.000 2.312 70 E HA 0.098 4.516 4.350 0.113 0.000 0.259 70 E C -1.768 174.985 176.600 0.256 0.000 1.122 70 E CA 0.327 56.816 56.400 0.148 0.000 0.922 70 E CB 1.709 31.424 29.700 0.025 0.000 1.109 70 E HN -0.543 7.863 8.360 0.148 0.043 0.442 71 D N -0.658 119.889 120.400 0.244 0.000 2.573 71 D HA 0.022 4.903 4.640 0.402 0.000 0.118 71 D C -1.208 175.274 176.300 0.304 0.000 1.480 71 D CA 1.128 55.303 54.000 0.291 0.000 1.470 71 D CB 2.150 43.035 40.800 0.143 0.000 2.083 71 D HN 0.059 8.517 8.370 0.147 0.000 0.220 72 N N 1.398 120.186 118.700 0.146 0.000 2.401 72 N HA 0.131 5.063 4.740 0.146 -0.105 0.255 72 N C 1.919 177.414 175.510 -0.025 0.000 1.110 72 N CA -0.383 52.722 53.050 0.092 0.000 0.949 72 N CB 0.393 38.916 38.487 0.060 0.000 1.110 72 N HN -0.629 8.053 8.380 0.112 -0.235 0.490 73 I N 0.602 121.059 120.570 -0.189 0.000 3.444 73 I HA -0.076 3.909 4.170 -0.309 0.000 0.287 73 I C -0.801 175.220 176.117 -0.161 0.000 1.302 73 I CA 0.962 62.059 61.300 -0.339 0.000 1.368 73 I CB -1.113 36.453 38.000 -0.725 0.000 1.048 73 I HN 0.354 8.455 8.210 -0.182 0.000 0.487 74 N N -2.037 116.621 118.700 -0.070 0.000 2.197 74 N HA 0.160 4.884 4.740 -0.027 0.000 0.201 74 N C -0.667 174.849 175.510 0.010 0.000 1.148 74 N CA -0.028 53.009 53.050 -0.022 0.000 0.883 74 N CB 2.227 40.711 38.487 -0.006 0.000 1.012 74 N HN 0.105 8.762 8.380 -0.051 -0.308 0.507 75 V N 0.092 120.015 119.914 0.016 0.000 2.680 75 V HA 0.038 4.173 4.120 0.026 0.000 0.309 75 V C -1.288 174.827 176.094 0.035 0.000 1.052 75 V CA -1.238 61.077 62.300 0.026 0.000 0.908 75 V CB 2.914 34.751 31.823 0.024 0.000 1.001 75 V HN -0.786 7.541 8.190 0.006 -0.133 0.431 76 V N 6.327 126.257 119.914 0.027 0.000 2.364 76 V HA -0.080 4.290 4.120 0.032 -0.231 0.272 76 V C -0.046 176.048 176.094 -0.001 0.000 1.036 76 V CA 0.100 62.406 62.300 0.009 0.000 0.880 76 V CB 0.255 32.060 31.823 -0.030 0.000 0.991 76 V HN 0.222 8.424 8.190 0.019 0.000 0.460 77 E N 7.727 127.930 120.200 0.004 0.000 2.447 77 E HA 0.142 4.494 4.350 0.004 0.000 0.204 77 E C -0.171 176.426 176.600 -0.005 0.000 0.977 77 E CA -0.369 56.035 56.400 0.005 0.000 0.950 77 E CB 0.887 30.600 29.700 0.021 0.000 0.975 77 E HN 0.199 8.982 8.360 0.012 -0.415 0.496 78 G N -0.035 108.754 108.800 -0.018 0.000 2.525 78 G HA2 -0.211 3.720 3.960 -0.049 0.000 0.685 78 G HA3 -0.211 3.738 3.960 -0.019 0.000 0.685 78 G C -1.795 173.097 174.900 -0.013 0.000 1.285 78 G CA -0.709 44.375 45.100 -0.027 0.000 0.849 78 G HN -0.444 8.100 8.290 -0.022 -0.266 0.653 79 N N -3.898 114.790 118.700 -0.020 0.000 2.980 79 N HA -0.267 4.469 4.740 -0.007 0.000 0.213 79 N C -0.954 174.558 175.510 0.003 0.000 0.892 79 N CA 1.321 54.369 53.050 -0.003 0.000 1.025 79 N CB -0.221 38.277 38.487 0.017 0.000 1.030 79 N HN 0.152 8.511 8.380 -0.035 0.000 0.585 80 E N -0.911 119.280 120.200 -0.017 0.000 2.366 80 E HA 0.168 4.816 4.350 0.084 -0.247 0.266 80 E C -0.192 176.378 176.600 -0.051 0.000 1.051 80 E CA 0.626 57.032 56.400 0.009 0.000 0.884 80 E CB 0.479 30.169 29.700 -0.017 0.000 1.006 80 E HN -0.181 8.049 8.360 -0.039 0.106 0.417 81 Q N 1.333 121.175 119.800 0.070 0.000 2.305 81 Q HA 0.285 4.598 4.340 -0.046 0.000 0.271 81 Q C -1.605 174.565 176.000 0.284 0.000 1.046 81 Q CA -1.195 54.642 55.803 0.057 0.000 0.798 81 Q CB 3.336 32.107 28.738 0.055 0.000 1.286 81 Q HN 0.160 8.537 8.270 0.177 0.000 0.435 82 F N 1.878 121.810 119.950 -0.030 0.000 2.449 82 F HA 0.416 5.075 4.527 -0.044 -0.158 0.342 82 F C -0.519 175.260 175.800 -0.035 0.000 1.127 82 F CA -2.834 55.143 58.000 -0.038 0.000 0.975 82 F CB 1.618 40.594 39.000 -0.040 0.000 1.146 82 F HN 0.339 8.705 8.300 0.111 0.000 0.444 83 I N 1.708 122.346 120.570 0.114 0.000 2.730 83 I HA 0.235 4.434 4.170 0.048 0.000 0.298 83 I C -1.908 174.210 176.117 0.002 0.000 1.089 83 I CA -1.815 59.511 61.300 0.042 0.000 1.041 83 I CB 3.915 41.925 38.000 0.017 0.000 1.235 83 I HN 0.781 9.038 8.210 0.079 0.000 0.423 84 S N 3.618 119.311 115.700 -0.011 0.000 2.610 84 S HA 0.168 4.617 4.470 -0.036 0.000 0.273 84 S C -0.509 174.061 174.600 -0.050 0.000 1.274 84 S CA 0.360 58.542 58.200 -0.031 0.000 1.023 84 S CB 1.508 64.693 63.200 -0.024 0.000 0.962 84 S HN 0.283 8.590 8.310 -0.005 0.000 0.523 85 A N 2.544 125.332 122.820 -0.054 0.000 2.388 85 A HA 0.213 4.610 4.320 -0.090 -0.131 0.257 85 A C -0.172 177.369 177.584 -0.073 0.000 1.095 85 A CA -0.326 51.669 52.037 -0.069 0.000 0.791 85 A CB 0.645 19.617 19.000 -0.047 0.000 1.029 85 A HN -0.093 8.028 8.150 -0.048 0.000 0.489 86 S N 2.395 118.031 115.700 -0.108 0.000 2.475 86 S HA 0.074 4.505 4.470 -0.066 0.000 0.224 86 S C 0.177 174.738 174.600 -0.065 0.000 1.042 86 S CA 1.192 59.336 58.200 -0.093 0.000 0.935 86 S CB 0.913 64.032 63.200 -0.135 0.000 0.801 86 S HN 0.595 8.691 8.310 -0.155 0.121 0.509 87 K N -0.937 119.420 120.400 -0.072 0.000 2.625 87 K HA 0.266 4.607 4.320 0.035 0.000 0.284 87 K C -2.764 173.858 176.600 0.036 0.000 0.984 87 K CA -0.372 55.915 56.287 -0.000 0.000 0.865 87 K CB 2.227 34.731 32.500 0.006 0.000 1.468 87 K HN -0.836 7.343 8.250 -0.120 0.000 0.407 88 S N 0.819 116.600 115.700 0.136 0.000 2.513 88 S HA 0.749 5.483 4.470 0.166 -0.164 0.299 88 S C -0.853 173.864 174.600 0.196 0.000 1.087 88 S CA -0.577 57.746 58.200 0.204 0.000 1.012 88 S CB 2.917 66.320 63.200 0.337 0.000 1.044 88 S HN 0.161 8.568 8.310 0.162 0.000 0.485 89 I N 6.375 127.068 120.570 0.205 0.000 2.420 89 I HA 0.105 4.350 4.170 0.125 0.000 0.282 89 I C -1.567 174.670 176.117 0.200 0.000 1.019 89 I CA -0.754 60.658 61.300 0.186 0.000 1.130 89 I CB 1.649 39.778 38.000 0.215 0.000 1.262 89 I HN 0.823 9.175 8.210 0.235 0.000 0.454 90 V N 7.819 127.776 119.914 0.072 0.000 2.649 90 V HA -0.147 3.998 4.120 0.041 0.000 0.292 90 V C -0.338 175.833 176.094 0.128 0.000 1.055 90 V CA -0.511 61.805 62.300 0.027 0.000 1.023 90 V CB 0.930 32.665 31.823 -0.147 0.000 0.992 90 V HN 0.347 8.528 8.190 -0.016 0.000 0.480 91 H N 8.807 127.874 119.070 -0.004 0.000 3.064 91 H HA -0.100 4.376 4.556 -0.133 0.000 0.329 91 H C -0.128 175.192 175.328 -0.014 0.000 1.020 91 H CA 0.784 56.726 56.048 -0.178 0.000 1.402 91 H CB 1.100 30.591 29.762 -0.452 0.000 1.379 91 H HN -0.380 7.945 8.280 0.075 0.000 0.594 92 P HA -0.070 4.340 4.420 -0.017 0.000 0.220 92 P C -0.523 176.779 177.300 0.003 0.000 1.148 92 P CA 1.340 64.373 63.100 -0.112 0.000 0.803 92 P CB 0.449 32.072 31.700 -0.128 0.000 0.782 93 S N -3.130 112.634 115.700 0.107 0.000 2.618 93 S HA 0.031 4.554 4.470 0.088 0.000 0.242 93 S C -0.642 174.095 174.600 0.229 0.000 0.972 93 S CA -0.035 58.279 58.200 0.189 0.000 1.004 93 S CB 0.105 63.431 63.200 0.210 0.000 0.778 93 S HN -0.493 7.793 8.310 0.004 0.027 0.459 94 Y N 3.329 123.694 120.300 0.109 0.000 2.511 94 Y HA -0.311 4.414 4.550 0.025 -0.160 0.332 94 Y C -1.075 174.835 175.900 0.018 0.000 1.177 94 Y CA 0.691 58.818 58.100 0.045 0.000 1.422 94 Y CB 0.940 39.420 38.460 0.032 0.000 1.271 94 Y HN -0.833 7.543 8.280 0.313 0.092 0.550 95 N N 6.759 125.151 118.700 -0.513 0.000 2.443 95 N HA 0.225 4.703 4.740 -0.438 0.000 0.269 95 N C -0.229 174.794 175.510 -0.811 0.000 0.985 95 N CA -1.284 51.461 53.050 -0.509 0.000 0.921 95 N CB 2.076 40.424 38.487 -0.231 0.000 1.195 95 N HN 0.012 8.231 8.380 -0.269 0.000 0.492 96 S N 6.595 121.810 115.700 -0.808 0.000 2.453 96 S HA -0.051 4.037 4.470 -0.637 0.000 0.231 96 S C 0.799 175.229 174.600 -0.283 0.000 1.005 96 S CA 2.444 60.314 58.200 -0.550 0.000 0.949 96 S CB -0.085 62.943 63.200 -0.288 0.000 0.774 96 S HN 0.627 8.560 8.310 -0.629 0.000 0.510 97 N N 1.802 120.347 118.700 -0.259 0.000 2.333 97 N HA -0.025 4.604 4.740 -0.185 0.000 0.178 97 N C 0.922 176.295 175.510 -0.228 0.000 1.018 97 N CA 2.191 55.120 53.050 -0.201 0.000 0.882 97 N CB 0.484 38.877 38.487 -0.156 0.000 0.984 97 N HN 0.343 8.746 8.380 -0.282 -0.192 0.434 98 T N -4.699 109.721 114.554 -0.222 0.000 2.990 98 T HA 0.111 4.303 4.350 -0.264 0.000 0.250 98 T C 0.014 174.592 174.700 -0.203 0.000 1.041 98 T CA 0.278 62.251 62.100 -0.212 0.000 1.010 98 T CB 1.850 70.643 68.868 -0.125 0.000 1.003 98 T HN -0.303 8.091 8.240 -0.228 -0.291 0.499 99 L N -3.295 117.839 121.223 -0.148 0.000 4.089 99 L HA -0.518 4.012 4.340 0.191 -0.076 0.408 99 L C -1.848 175.108 176.870 0.142 0.000 1.184 99 L CA 0.395 55.270 54.840 0.059 0.000 0.947 99 L CB -2.719 39.360 42.059 0.033 0.000 2.066 99 L HN 0.003 8.014 8.230 -0.214 0.090 0.851 100 N N -1.013 117.719 118.700 0.054 0.000 2.530 100 N HA -0.112 4.702 4.740 0.122 0.000 0.273 100 N C -0.130 175.453 175.510 0.122 0.000 1.173 100 N CA 0.393 53.493 53.050 0.084 0.000 0.967 100 N CB 1.331 39.836 38.487 0.031 0.000 1.109 100 N HN -0.732 7.582 8.380 -0.042 0.040 0.453 101 N N -0.869 117.890 118.700 0.098 0.000 2.783 101 N HA -0.475 4.216 4.740 -0.083 0.000 0.247 101 N C -1.444 174.053 175.510 -0.021 0.000 1.089 101 N CA 1.358 54.382 53.050 -0.044 0.000 0.690 101 N CB -1.519 36.901 38.487 -0.111 0.000 0.991 101 N HN 0.659 9.111 8.380 0.120 0.000 0.552 102 D N -1.108 119.304 120.400 0.021 0.000 2.619 102 D HA 0.081 4.678 4.640 -0.071 0.000 0.224 102 D C -1.614 174.565 176.300 -0.201 0.000 1.133 102 D CA -0.321 53.665 54.000 -0.023 0.000 1.017 102 D CB -0.585 40.307 40.800 0.154 0.000 1.077 102 D HN -0.144 8.258 8.370 0.053 0.000 0.503 103 I N 2.032 122.425 120.570 -0.295 0.000 2.865 103 I HA 0.570 4.763 4.170 -0.179 -0.131 0.302 103 I C -3.002 173.056 176.117 -0.100 0.000 1.140 103 I CA -1.769 59.383 61.300 -0.247 0.000 1.021 103 I CB 4.184 41.884 38.000 -0.500 0.000 1.233 103 I HN -0.137 7.853 8.210 -0.293 0.043 0.427 104 M N 5.035 124.650 119.600 0.024 0.000 2.465 104 M HA 0.688 5.459 4.480 0.213 -0.163 0.284 104 M C -2.760 173.659 176.300 0.198 0.000 1.212 104 M CA -0.842 54.536 55.300 0.131 0.000 0.910 104 M CB 4.866 37.499 32.600 0.055 0.000 1.725 104 M HN 0.680 8.910 8.290 0.020 0.072 0.477 105 L N 3.144 124.525 121.223 0.263 0.000 2.329 105 L HA 0.824 5.486 4.340 0.259 -0.167 0.279 105 L C -1.367 175.691 176.870 0.314 0.000 1.014 105 L CA -1.386 53.632 54.840 0.297 0.000 0.814 105 L CB 2.947 45.174 42.059 0.281 0.000 1.257 105 L HN 0.156 8.560 8.230 0.291 0.000 0.424 106 I N 1.232 121.962 120.570 0.267 0.000 2.509 106 I HA 0.527 4.905 4.170 0.096 -0.151 0.293 106 I C -1.624 174.452 176.117 -0.068 0.000 1.020 106 I CA -1.387 59.974 61.300 0.101 0.000 1.088 106 I CB 3.440 41.473 38.000 0.056 0.000 1.267 106 I HN 0.945 9.220 8.210 0.289 0.108 0.430 107 K N 5.180 125.365 120.400 -0.359 0.000 2.123 107 K HA 0.679 4.453 4.320 -1.160 -0.150 0.259 107 K C -1.040 175.307 176.600 -0.421 0.000 0.960 107 K CA -2.031 53.742 56.287 -0.856 0.000 0.872 107 K CB 3.350 35.198 32.500 -1.086 0.000 1.079 107 K HN 0.614 8.728 8.250 -0.227 0.000 0.440 108 L N 2.296 123.283 121.223 -0.393 0.000 2.360 108 L HA 0.393 4.757 4.340 -0.156 -0.118 0.271 108 L C 1.637 178.396 176.870 -0.185 0.000 1.057 108 L CA -0.800 53.917 54.840 -0.206 0.000 0.803 108 L CB 0.973 42.950 42.059 -0.137 0.000 1.207 108 L HN 0.360 8.270 8.230 -0.534 0.000 0.445 109 K N 2.665 122.995 120.400 -0.116 0.000 2.025 109 K HA -0.311 3.949 4.320 -0.099 0.000 0.207 109 K C -0.598 175.956 176.600 -0.076 0.000 1.049 109 K CA 2.700 58.935 56.287 -0.088 0.000 0.933 109 K CB 0.409 32.876 32.500 -0.055 0.000 0.714 109 K HN 0.378 8.573 8.250 -0.093 0.000 0.438 110 S N -4.237 111.426 115.700 -0.062 0.000 2.709 110 S HA 0.122 4.564 4.470 -0.047 0.000 0.302 110 S C -1.885 172.688 174.600 -0.045 0.000 1.127 110 S CA -1.051 57.122 58.200 -0.045 0.000 0.905 110 S CB 2.845 66.029 63.200 -0.026 0.000 1.151 110 S HN -0.349 7.927 8.310 -0.057 0.000 0.510 111 A N -1.112 121.692 122.820 -0.027 0.000 2.322 111 A HA 0.199 4.627 4.320 -0.026 -0.123 0.269 111 A C -0.415 177.168 177.584 -0.001 0.000 1.094 111 A CA -0.595 51.433 52.037 -0.014 0.000 0.807 111 A CB 0.791 19.792 19.000 0.001 0.000 1.047 111 A HN 0.148 8.285 8.150 -0.021 0.000 0.487 112 A N 0.278 123.104 122.820 0.011 0.000 2.304 112 A HA 0.240 4.657 4.320 0.018 -0.086 0.271 112 A C -0.583 177.015 177.584 0.024 0.000 1.091 112 A CA -1.420 50.630 52.037 0.022 0.000 0.812 112 A CB 1.434 20.455 19.000 0.035 0.000 1.056 112 A HN 0.358 8.411 8.150 0.014 0.105 0.489 113 S N 0.259 115.973 115.700 0.022 0.000 2.430 113 S HA 0.105 4.586 4.470 0.019 0.000 0.289 113 S C -0.537 174.080 174.600 0.028 0.000 1.143 113 S CA -0.513 57.699 58.200 0.020 0.000 1.067 113 S CB 0.554 63.761 63.200 0.012 0.000 0.964 113 S HN 0.161 8.874 8.310 0.021 -0.390 0.485 114 L N 6.053 127.295 121.223 0.032 0.000 2.375 114 L HA 0.286 4.811 4.340 0.044 -0.158 0.271 114 L C -0.271 176.618 176.870 0.032 0.000 1.107 114 L CA -0.179 54.685 54.840 0.039 0.000 0.806 114 L CB 0.600 42.685 42.059 0.044 0.000 1.146 114 L HN 0.218 8.465 8.230 0.030 0.000 0.447 115 N N 2.348 121.069 118.700 0.035 0.000 3.517 115 N HA 0.132 4.888 4.740 0.027 0.000 0.329 115 N C -1.478 174.052 175.510 0.034 0.000 1.569 115 N CA -0.639 52.428 53.050 0.029 0.000 0.852 115 N CB 0.673 39.174 38.487 0.023 0.000 1.955 115 N HN 0.318 8.613 8.380 0.042 0.110 0.555 116 S N -3.626 112.092 115.700 0.029 0.000 2.489 116 S HA -0.170 4.322 4.470 0.037 0.000 0.228 116 S C 0.618 175.238 174.600 0.032 0.000 0.995 116 S CA 2.123 60.342 58.200 0.032 0.000 0.934 116 S CB -0.009 63.206 63.200 0.025 0.000 0.771 116 S HN 0.092 8.417 8.310 0.024 0.000 0.522 117 R N -1.391 119.127 120.500 0.030 0.000 2.265 117 R HA 0.208 4.561 4.340 0.022 0.000 0.194 117 R C -1.245 175.076 176.300 0.035 0.000 0.931 117 R CA -0.290 55.826 56.100 0.028 0.000 1.032 117 R CB 1.138 31.453 30.300 0.025 0.000 0.980 117 R HN -0.040 8.509 8.270 0.028 -0.261 0.497 118 V N -1.548 118.392 119.914 0.044 0.000 2.419 118 V HA 0.272 4.643 4.120 0.059 -0.216 0.287 118 V C -2.094 174.041 176.094 0.068 0.000 1.017 118 V CA -0.989 61.346 62.300 0.057 0.000 0.844 118 V CB 2.133 33.988 31.823 0.053 0.000 1.011 118 V HN -0.241 8.199 8.190 0.041 -0.226 0.429 119 A N 6.766 129.641 122.820 0.092 0.000 2.485 119 A HA 0.520 4.890 4.320 0.084 0.000 0.292 119 A C -2.476 175.194 177.584 0.143 0.000 1.147 119 A CA -1.411 50.689 52.037 0.105 0.000 0.750 119 A CB 3.136 22.201 19.000 0.108 0.000 1.331 119 A HN 0.035 8.128 8.150 0.101 0.118 0.419 120 S N -2.186 113.585 115.700 0.119 0.000 2.718 120 S HA 0.664 5.340 4.470 0.164 -0.108 0.292 120 S C -0.785 173.864 174.600 0.083 0.000 1.125 120 S CA -1.459 56.814 58.200 0.121 0.000 1.013 120 S CB 2.016 65.267 63.200 0.086 0.000 1.192 120 S HN -0.013 8.352 8.310 0.093 0.000 0.535 121 I N -0.078 120.493 120.570 0.000 0.000 2.785 121 I HA 0.197 4.298 4.170 -0.115 0.000 0.302 121 I C -1.376 174.692 176.117 -0.081 0.000 1.069 121 I CA -1.453 59.763 61.300 -0.141 0.000 1.045 121 I CB 4.381 42.102 38.000 -0.465 0.000 1.236 121 I HN -0.290 7.933 8.210 0.021 0.000 0.429 122 S N 5.754 121.406 115.700 -0.081 0.000 2.584 122 S HA 0.253 4.707 4.470 -0.028 0.000 0.273 122 S C -0.614 173.956 174.600 -0.049 0.000 1.311 122 S CA -0.340 57.832 58.200 -0.046 0.000 1.034 122 S CB 0.864 64.041 63.200 -0.037 0.000 0.939 122 S HN 0.248 8.498 8.310 -0.100 0.000 0.513 123 L N 2.758 123.966 121.223 -0.025 0.000 2.418 123 L HA 0.147 4.482 4.340 -0.008 0.000 0.265 123 L C -1.321 175.542 176.870 -0.011 0.000 1.143 123 L CA -1.973 52.861 54.840 -0.008 0.000 0.809 123 L CB -0.028 42.035 42.059 0.008 0.000 1.124 123 L HN 0.205 8.423 8.230 -0.019 0.000 0.456 124 P HA 0.117 4.523 4.420 -0.024 0.000 0.276 124 P C -1.148 176.147 177.300 -0.008 0.000 1.252 124 P CA -0.685 62.407 63.100 -0.014 0.000 0.802 124 P CB 0.706 32.396 31.700 -0.017 0.000 1.035 128 c N 0.633 119.202 118.600 -0.051 0.000 2.649 128 c HA 0.020 4.545 4.570 -0.076 0.000 0.377 128 c C 0.116 174.141 174.090 -0.109 0.000 1.321 128 c CA -0.541 55.741 56.329 -0.078 0.000 2.368 128 c CB 0.332 42.797 42.510 -0.074 0.000 2.597 128 c HN -0.024 8.179 8.230 -0.044 0.000 0.678 129 A N 0.502 123.219 122.820 -0.171 0.000 2.264 129 A HA 0.046 4.289 4.320 -0.128 0.000 0.304 129 A C -0.943 176.538 177.584 -0.171 0.000 1.100 129 A CA -0.286 51.645 52.037 -0.177 0.000 0.839 129 A CB 1.232 20.087 19.000 -0.240 0.000 1.121 129 A HN 0.206 8.223 8.150 -0.222 0.000 0.496 133 G N 0.754 109.515 108.800 -0.065 0.000 2.383 133 G HA2 -0.303 3.623 3.960 -0.056 0.000 0.229 133 G HA3 -0.303 3.628 3.960 -0.048 0.000 0.229 133 G C 0.149 175.010 174.900 -0.065 0.000 1.089 133 G CA 0.076 45.141 45.100 -0.058 0.000 0.640 133 G HN 0.749 8.891 8.290 -0.065 0.109 0.510 134 T N 4.773 119.280 114.554 -0.079 0.000 2.891 134 T HA -0.288 4.025 4.350 -0.062 0.000 0.296 134 T C -0.791 173.864 174.700 -0.076 0.000 1.025 134 T CA 2.745 64.797 62.100 -0.080 0.000 1.149 134 T CB 0.472 69.275 68.868 -0.108 0.000 1.007 134 T HN -0.448 7.646 8.240 -0.088 0.093 0.528 135 Q N 5.883 125.652 119.800 -0.052 0.000 2.243 135 Q HA 0.197 4.635 4.340 -0.045 -0.125 0.252 135 Q C -0.785 175.198 176.000 -0.029 0.000 0.909 135 Q CA 0.364 56.147 55.803 -0.033 0.000 0.922 135 Q CB 1.624 30.357 28.738 -0.008 0.000 1.215 135 Q HN 0.132 8.376 8.270 -0.044 0.000 0.427 136 c N 3.263 121.849 118.600 -0.023 0.000 3.154 136 c HA 0.466 5.106 4.570 -0.009 -0.075 0.312 136 c C -2.113 171.984 174.090 0.012 0.000 1.349 136 c CA -1.473 54.847 56.329 -0.015 0.000 1.518 136 c CB 4.330 46.814 42.510 -0.043 0.000 1.934 136 c HN 0.925 9.031 8.230 -0.024 0.110 0.462 137 L N 0.482 121.721 121.223 0.026 0.000 2.307 137 L HA 0.820 5.356 4.340 0.047 -0.168 0.284 137 L C -2.150 174.731 176.870 0.018 0.000 1.023 137 L CA -1.356 53.509 54.840 0.042 0.000 0.810 137 L CB 3.106 45.211 42.059 0.077 0.000 1.231 137 L HN 0.394 8.638 8.230 0.024 0.000 0.423 138 I N 6.908 127.470 120.570 -0.014 0.000 2.474 138 I HA 0.809 5.211 4.170 0.001 -0.232 0.294 138 I C -1.379 174.694 176.117 -0.073 0.000 1.005 138 I CA -1.437 59.850 61.300 -0.023 0.000 1.113 138 I CB 2.555 40.540 38.000 -0.024 0.000 1.289 138 I HN 0.663 8.864 8.210 -0.017 0.000 0.436 139 S N 2.818 118.467 115.700 -0.085 0.000 2.595 139 S HA 1.058 5.554 4.470 -0.250 -0.176 0.281 139 S C -1.109 173.348 174.600 -0.237 0.000 1.117 139 S CA -1.931 56.140 58.200 -0.214 0.000 0.873 139 S CB 3.678 66.710 63.200 -0.280 0.000 1.108 139 S HN -0.226 8.066 8.310 -0.030 0.000 0.477 140 G N -0.786 107.771 108.800 -0.404 0.000 2.358 140 G HA2 0.088 3.738 3.960 -0.517 0.000 0.301 140 G HA3 0.088 4.120 3.960 -0.105 -0.134 0.301 140 G C -1.422 173.240 174.900 -0.396 0.000 1.539 140 G CA 0.377 45.256 45.100 -0.369 0.000 0.893 140 G HN 0.177 8.175 8.290 -0.486 0.000 0.636 141 W N 1.746 122.983 121.300 -0.104 0.000 3.391 141 W HA 0.196 4.798 4.660 -0.098 0.000 0.372 141 W C -0.091 176.464 176.519 0.061 0.000 1.171 141 W CA -0.606 56.652 57.345 -0.145 0.000 1.862 141 W CB -0.608 28.546 29.460 -0.511 0.000 1.048 141 W HN 0.597 8.879 8.180 0.170 0.000 0.726 142 G N 0.657 109.606 108.800 0.248 0.000 2.621 142 G HA2 -0.051 4.243 3.960 0.502 0.000 0.271 142 G HA3 -0.051 4.165 3.960 0.228 -0.120 0.271 142 G C -1.057 173.877 174.900 0.056 0.000 1.236 142 G CA -0.799 44.468 45.100 0.278 0.000 0.958 142 G HN -0.624 7.817 8.290 0.135 -0.071 0.512 143 N N -0.473 118.153 118.700 -0.123 0.000 2.353 143 N HA -0.244 4.266 4.740 -0.752 -0.221 0.248 143 N C 0.852 176.260 175.510 -0.169 0.000 1.240 143 N CA 1.031 53.831 53.050 -0.417 0.000 0.862 143 N CB 0.770 39.029 38.487 -0.380 0.000 1.086 143 N HN 0.219 8.631 8.380 0.053 0.000 0.453 144 T N 0.063 114.516 114.554 -0.169 0.000 3.085 144 T HA 0.202 4.667 4.350 -0.063 -0.153 0.264 144 T C -0.368 174.291 174.700 -0.068 0.000 1.019 144 T CA 0.023 62.072 62.100 -0.086 0.000 0.910 144 T CB 1.512 70.340 68.868 -0.067 0.000 1.059 144 T HN -0.076 8.021 8.240 -0.238 0.000 0.542 145 K N 1.570 121.920 120.400 -0.084 0.000 2.316 145 K HA 0.277 4.577 4.320 -0.034 0.000 0.251 145 K C -0.476 176.105 176.600 -0.032 0.000 0.934 145 K CA -1.278 54.979 56.287 -0.049 0.000 0.802 145 K CB 2.991 35.461 32.500 -0.051 0.000 1.171 145 K HN -0.708 7.671 8.250 -0.128 -0.206 0.426 146 S N 0.708 116.401 115.700 -0.012 0.000 2.425 146 S HA -0.097 4.378 4.470 0.009 0.000 0.225 146 S C 0.081 174.686 174.600 0.009 0.000 1.024 146 S CA 1.885 60.089 58.200 0.005 0.000 0.951 146 S CB 0.822 64.029 63.200 0.013 0.000 0.796 146 S HN 0.139 8.443 8.310 -0.010 0.000 0.498 147 S N 1.955 117.658 115.700 0.004 0.000 2.252 147 S HA 0.203 4.681 4.470 0.014 0.000 0.180 147 S C -0.861 173.742 174.600 0.004 0.000 1.534 147 S CA -0.193 58.013 58.200 0.008 0.000 1.141 147 S CB -0.550 62.655 63.200 0.009 0.000 1.122 147 S HN -0.406 7.904 8.310 -0.001 0.000 0.475 148 G N 1.224 110.026 108.800 0.003 0.000 2.361 148 G HA2 -0.160 3.809 3.960 0.016 0.000 0.331 148 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.331 148 G C -2.764 172.128 174.900 -0.015 0.000 1.324 148 G CA -0.427 44.674 45.100 0.003 0.000 0.984 148 G HN -0.464 7.830 8.290 0.007 0.000 0.586 149 T N -3.475 111.075 114.554 -0.007 0.000 2.833 149 T HA 0.062 4.475 4.350 -0.149 -0.153 0.297 149 T C -1.649 173.008 174.700 -0.072 0.000 1.015 149 T CA -0.704 61.370 62.100 -0.043 0.000 0.963 149 T CB 1.584 70.524 68.868 0.120 0.000 0.955 149 T HN -0.103 8.146 8.240 0.015 0.000 0.449 150 S N 5.663 121.224 115.700 -0.232 0.000 2.733 150 S HA 0.323 4.798 4.470 0.009 0.000 0.294 150 S C -2.112 172.325 174.600 -0.272 0.000 1.149 150 S CA -0.951 57.179 58.200 -0.116 0.000 1.034 150 S CB 1.954 65.113 63.200 -0.068 0.000 1.015 150 S HN 0.807 9.311 8.310 -0.377 -0.421 0.486 151 Y N 6.798 127.139 120.300 0.068 0.000 2.341 151 Y HA 0.303 4.911 4.550 0.096 0.000 0.337 151 Y C -1.407 174.543 175.900 0.083 0.000 1.014 151 Y CA -2.571 55.582 58.100 0.090 0.000 1.111 151 Y CB 1.076 39.601 38.460 0.108 0.000 1.194 151 Y HN 0.241 8.670 8.280 0.248 0.000 0.462 152 P HA 0.253 4.743 4.420 0.117 0.000 0.282 152 P C -1.597 175.824 177.300 0.202 0.000 1.287 152 P CA -0.996 62.197 63.100 0.156 0.000 0.792 152 P CB 1.885 33.649 31.700 0.106 0.000 1.163 153 D N -3.060 117.440 120.400 0.166 0.000 2.431 153 D HA 0.015 4.724 4.640 0.115 0.000 0.235 153 D C -0.716 175.733 176.300 0.249 0.000 0.980 153 D CA 1.721 55.810 54.000 0.148 0.000 0.912 153 D CB 0.930 41.785 40.800 0.091 0.000 1.056 153 D HN 0.379 8.828 8.370 0.131 0.000 0.494 154 V N -6.365 113.688 119.914 0.231 0.000 3.096 154 V HA 0.758 5.315 4.120 0.413 -0.189 0.319 154 V C -0.292 175.879 176.094 0.128 0.000 1.082 154 V CA -2.435 60.025 62.300 0.267 0.000 1.022 154 V CB 1.838 33.734 31.823 0.122 0.000 1.103 154 V HN -0.954 7.330 8.190 0.156 0.000 0.455 155 L N 1.015 122.197 121.223 -0.069 0.000 2.461 155 L HA -0.042 3.498 4.340 -1.333 0.000 0.272 155 L C -0.381 176.242 176.870 -0.412 0.000 1.197 155 L CA 0.770 55.203 54.840 -0.679 0.000 0.836 155 L CB 0.588 42.226 42.059 -0.701 0.000 1.105 155 L HN -0.290 8.231 8.230 0.133 -0.211 0.477 156 K N 3.481 123.598 120.400 -0.471 0.000 2.267 156 K HA 0.661 4.949 4.320 -0.326 -0.164 0.246 156 K C -1.229 175.109 176.600 -0.436 0.000 0.954 156 K CA -2.372 53.698 56.287 -0.361 0.000 0.824 156 K CB 3.055 35.404 32.500 -0.252 0.000 1.167 156 K HN -0.476 7.401 8.250 -0.622 0.000 0.431 157 c N -1.108 117.140 118.600 -0.588 0.000 2.889 157 c HA 1.019 5.535 4.570 -0.413 -0.194 0.307 157 c C -1.771 171.955 174.090 -0.608 0.000 1.251 157 c CA -0.937 54.989 56.329 -0.671 0.000 1.593 157 c CB 3.934 45.876 42.510 -0.947 0.000 2.104 157 c HN 0.837 8.560 8.230 -0.668 0.106 0.476 158 L N -0.226 120.836 121.223 -0.268 0.000 2.526 158 L HA 0.359 4.745 4.340 0.077 0.000 0.263 158 L C -2.491 174.440 176.870 0.102 0.000 0.943 158 L CA 0.254 55.090 54.840 -0.006 0.000 0.859 158 L CB 4.407 46.482 42.059 0.026 0.000 1.313 158 L HN 0.554 8.659 8.230 -0.208 0.000 0.406 159 K N 6.030 126.562 120.400 0.220 0.000 2.240 159 K HA 0.740 5.334 4.320 0.127 -0.198 0.271 159 K C -1.015 175.716 176.600 0.218 0.000 1.018 159 K CA -1.223 55.176 56.287 0.187 0.000 0.874 159 K CB 0.972 33.591 32.500 0.198 0.000 1.098 159 K HN 0.362 8.782 8.250 0.283 0.000 0.458 160 A N 4.703 127.585 122.820 0.105 0.000 2.539 160 A HA 0.656 4.974 4.320 -0.002 0.000 0.296 160 A C -3.454 174.066 177.584 -0.108 0.000 1.073 160 A CA -2.853 49.181 52.037 -0.004 0.000 0.700 160 A CB 3.074 22.081 19.000 0.012 0.000 1.296 160 A HN 0.963 9.144 8.150 0.051 0.000 0.405 161 P HA 0.749 5.301 4.420 -0.100 -0.193 0.283 161 P C -1.111 176.126 177.300 -0.106 0.000 1.271 161 P CA -1.582 61.430 63.100 -0.146 0.000 0.841 161 P CB 1.760 33.366 31.700 -0.157 0.000 1.122 162 I N -1.013 119.511 120.570 -0.076 0.000 2.474 162 I HA 0.005 4.335 4.170 0.098 -0.101 0.287 162 I C 0.178 176.285 176.117 -0.017 0.000 1.048 162 I CA 0.179 61.468 61.300 -0.020 0.000 1.383 162 I CB 0.434 38.341 38.000 -0.156 0.000 1.412 162 I HN 0.246 8.400 8.210 -0.094 0.000 0.531 163 L N 6.077 127.325 121.223 0.042 0.000 2.431 163 L HA 0.277 4.607 4.340 -0.017 0.000 0.260 163 L C 0.080 176.965 176.870 0.024 0.000 1.098 163 L CA -0.962 53.889 54.840 0.017 0.000 0.800 163 L CB 0.679 42.759 42.059 0.035 0.000 1.210 163 L HN 0.359 8.557 8.230 0.124 0.106 0.465 164 S N -1.846 113.861 115.700 0.013 0.000 2.624 164 S HA -0.075 4.398 4.470 0.005 0.000 0.263 164 S C 0.525 175.146 174.600 0.035 0.000 1.287 164 S CA -0.788 57.420 58.200 0.013 0.000 0.990 164 S CB 1.734 64.937 63.200 0.005 0.000 0.950 164 S HN -0.050 8.263 8.310 0.005 0.000 0.561 165 D N 1.110 121.530 120.400 0.035 0.000 2.178 165 D HA -0.184 4.500 4.640 0.073 0.000 0.202 165 D C 1.530 177.857 176.300 0.046 0.000 0.974 165 D CA 3.355 57.386 54.000 0.051 0.000 0.841 165 D CB -0.468 40.358 40.800 0.044 0.000 0.953 165 D HN 0.590 8.973 8.370 0.022 0.000 0.478 166 S N -0.931 114.788 115.700 0.031 0.000 2.383 166 S HA -0.279 4.209 4.470 0.030 0.000 0.227 166 S C 2.052 176.666 174.600 0.023 0.000 1.026 166 S CA 3.176 61.391 58.200 0.026 0.000 0.981 166 S CB -0.518 62.691 63.200 0.016 0.000 0.818 166 S HN 0.034 8.347 8.310 0.024 0.011 0.472 167 S N 4.029 119.740 115.700 0.020 0.000 2.355 167 S HA -0.299 4.170 4.470 -0.001 0.000 0.222 167 S C 1.658 176.267 174.600 0.015 0.000 1.031 167 S CA 3.841 62.046 58.200 0.009 0.000 0.993 167 S CB -0.111 63.093 63.200 0.006 0.000 0.859 167 S HN -0.698 7.624 8.310 0.020 0.000 0.453 168 c N 3.399 122.029 118.600 0.049 0.000 2.386 168 c HA -0.379 4.249 4.570 0.097 0.000 0.279 168 c C 1.864 176.020 174.090 0.109 0.000 1.208 168 c CA 3.282 59.668 56.329 0.095 0.000 1.747 168 c CB -1.657 40.924 42.510 0.118 0.000 2.046 168 c HN -0.477 7.784 8.230 0.052 0.000 0.453 169 K N -1.787 118.672 120.400 0.097 0.000 2.152 169 K HA -0.383 4.026 4.320 0.148 0.000 0.206 169 K C 2.339 178.977 176.600 0.063 0.000 1.048 169 K CA 3.223 59.570 56.287 0.100 0.000 0.933 169 K CB -0.217 32.329 32.500 0.077 0.000 0.721 169 K HN -0.128 8.173 8.250 0.084 0.000 0.447 170 S N -2.031 113.684 115.700 0.024 0.000 2.461 170 S HA -0.187 4.287 4.470 0.007 0.000 0.228 170 S C 0.316 174.880 174.600 -0.060 0.000 1.005 170 S CA 2.572 60.768 58.200 -0.007 0.000 0.942 170 S CB 0.006 63.198 63.200 -0.013 0.000 0.776 170 S HN -0.262 7.935 8.310 0.025 0.127 0.514 171 A N -0.221 122.524 122.820 -0.124 0.000 1.903 171 A HA 0.000 4.146 4.320 -0.290 0.000 0.213 171 A C -0.240 177.040 177.584 -0.507 0.000 1.185 171 A CA 1.752 53.567 52.037 -0.371 0.000 0.628 171 A CB 0.839 19.520 19.000 -0.532 0.000 0.830 171 A HN -0.378 7.570 8.150 -0.070 0.161 0.446 172 Y N -5.198 115.146 120.300 0.072 0.000 2.553 172 Y HA 0.474 5.106 4.550 0.137 0.000 0.369 172 Y C -2.374 173.592 175.900 0.110 0.000 0.964 172 Y CA -3.754 54.425 58.100 0.131 0.000 1.156 172 Y CB -0.624 37.968 38.460 0.220 0.000 1.218 172 Y HN -0.223 8.057 8.280 -0.000 0.000 0.630 173 P HA -0.156 4.448 4.420 0.110 -0.118 0.262 173 P C 0.906 178.279 177.300 0.123 0.000 1.182 173 P CA 1.261 64.430 63.100 0.116 0.000 0.761 173 P CB -0.037 31.702 31.700 0.065 0.000 0.795 174 G N 4.045 112.908 108.800 0.105 0.000 2.189 174 G HA2 -0.370 3.629 3.960 0.066 0.000 0.267 174 G HA3 -0.370 3.627 3.960 0.062 0.000 0.267 174 G C 0.137 175.093 174.900 0.093 0.000 0.975 174 G CA 0.589 45.737 45.100 0.081 0.000 0.644 174 G HN 0.529 8.878 8.290 0.099 0.000 0.537 175 Q N -2.192 117.703 119.800 0.158 0.000 2.171 175 Q HA 0.075 4.459 4.340 0.073 0.000 0.218 175 Q C -0.932 175.222 176.000 0.256 0.000 0.822 175 Q CA -0.511 55.391 55.803 0.166 0.000 0.987 175 Q CB 1.331 30.182 28.738 0.189 0.000 1.144 175 Q HN -0.125 8.199 8.270 0.206 0.069 0.494 176 I N -0.858 119.844 120.570 0.219 0.000 2.404 176 I HA 0.122 4.437 4.170 0.243 0.000 0.293 176 I C -0.557 175.640 176.117 0.134 0.000 0.992 176 I CA -1.919 59.500 61.300 0.198 0.000 1.149 176 I CB 0.602 38.708 38.000 0.177 0.000 1.315 176 I HN -0.392 7.928 8.210 0.184 0.000 0.446 177 T N 0.614 115.243 114.554 0.125 0.000 2.919 177 T HA 0.365 4.759 4.350 0.073 0.000 0.282 177 T C 0.573 175.325 174.700 0.086 0.000 1.020 177 T CA -2.113 60.040 62.100 0.088 0.000 0.994 177 T CB 2.511 71.426 68.868 0.079 0.000 1.180 177 T HN -0.521 7.807 8.240 0.147 0.000 0.566 178 S N -2.510 113.227 115.700 0.061 0.000 2.603 178 S HA -0.176 4.332 4.470 0.065 0.000 0.229 178 S C -0.086 174.555 174.600 0.068 0.000 0.972 178 S CA 1.624 59.857 58.200 0.054 0.000 0.935 178 S CB -0.109 63.103 63.200 0.021 0.000 0.769 178 S HN 0.227 8.564 8.310 0.046 0.000 0.536 179 N N 0.343 119.097 118.700 0.091 0.000 2.273 179 N HA 0.149 4.964 4.740 0.125 0.000 0.231 179 N C -1.853 173.774 175.510 0.194 0.000 1.134 179 N CA -0.566 52.571 53.050 0.144 0.000 0.856 179 N CB 0.827 39.420 38.487 0.176 0.000 1.068 179 N HN -0.520 7.829 8.380 0.089 0.084 0.510 180 M N -1.317 118.384 119.600 0.168 0.000 2.531 180 M HA 0.705 5.427 4.480 0.094 -0.186 0.286 180 M C -2.458 173.955 176.300 0.189 0.000 1.232 180 M CA -0.242 55.133 55.300 0.125 0.000 0.877 180 M CB 5.157 37.801 32.600 0.073 0.000 1.726 180 M HN -0.835 7.444 8.290 0.151 0.101 0.463 181 F N -5.184 114.796 119.950 0.049 0.000 2.626 181 F HA 0.627 5.177 4.527 0.039 0.000 0.311 181 F C -2.793 173.047 175.800 0.067 0.000 1.088 181 F CA -1.941 56.090 58.000 0.052 0.000 0.949 181 F CB 2.526 41.559 39.000 0.054 0.000 1.322 181 F HN 0.556 8.742 8.300 -0.191 0.000 0.461 182 c N -0.236 118.514 118.600 0.250 0.000 2.391 182 c HA 0.968 5.753 4.570 0.040 -0.191 0.339 182 c C -1.134 173.137 174.090 0.302 0.000 1.205 182 c CA -0.910 55.514 56.329 0.158 0.000 1.937 182 c CB 2.772 45.353 42.510 0.119 0.000 2.341 182 c HN 0.858 9.274 8.230 0.311 0.000 0.516 183 A N 3.303 126.293 122.820 0.285 0.000 2.446 183 A HA 0.727 5.240 4.320 0.102 -0.132 0.282 183 A C -2.274 175.368 177.584 0.097 0.000 1.102 183 A CA -0.613 51.512 52.037 0.146 0.000 0.737 183 A CB 2.847 21.831 19.000 -0.026 0.000 1.212 183 A HN 0.500 8.857 8.150 0.345 0.000 0.434 184 Y N 2.627 122.960 120.300 0.055 0.000 2.350 184 Y HA 0.056 4.626 4.550 0.034 0.000 0.340 184 Y C 1.013 176.932 175.900 0.030 0.000 1.006 184 Y CA -0.036 58.087 58.100 0.038 0.000 1.166 184 Y CB 0.937 39.417 38.460 0.033 0.000 1.168 184 Y HN 0.172 8.607 8.280 0.259 0.000 0.502 185 L N 3.806 125.103 121.223 0.124 0.000 2.376 185 L HA -0.234 4.140 4.340 0.056 0.000 0.219 185 L C 1.019 177.933 176.870 0.073 0.000 1.133 185 L CA 1.917 56.799 54.840 0.070 0.000 0.816 185 L CB -0.338 41.741 42.059 0.032 0.000 0.933 185 L HN 0.530 8.819 8.230 0.099 0.000 0.449 186 E N -1.909 118.353 120.200 0.104 0.000 2.427 186 E HA -0.120 4.258 4.350 0.047 0.000 0.196 186 E C 0.666 177.301 176.600 0.060 0.000 1.028 186 E CA 0.238 56.678 56.400 0.068 0.000 0.864 186 E CB -0.418 29.318 29.700 0.060 0.000 0.813 186 E HN 0.138 8.547 8.360 0.152 0.042 0.514 187 G N 0.644 109.497 108.800 0.087 0.000 3.391 187 G HA2 -0.379 3.783 3.960 0.081 0.000 0.683 187 G HA3 -0.379 3.608 3.960 0.045 0.000 0.683 187 G C -0.771 174.153 174.900 0.039 0.000 1.071 187 G CA -0.281 44.858 45.100 0.065 0.000 0.904 187 G HN -0.660 7.552 8.290 0.133 0.158 0.452 188 K N 1.753 122.152 120.400 -0.000 0.000 6.987 188 K HA -0.595 3.982 4.320 0.011 -0.250 0.613 188 K C -1.079 175.608 176.600 0.144 0.000 2.559 188 K CA 0.746 57.051 56.287 0.031 0.000 1.952 188 K CB 0.037 32.487 32.500 -0.084 0.000 1.920 188 K HN 0.144 8.416 8.250 0.037 0.000 0.278 189 D N -0.500 119.973 120.400 0.122 0.000 2.807 189 D HA 0.238 4.993 4.640 0.192 0.000 0.279 189 D C -2.091 174.276 176.300 0.111 0.000 1.247 189 D CA -0.376 53.709 54.000 0.141 0.000 0.749 189 D CB 4.214 45.082 40.800 0.113 0.000 1.264 189 D HN 0.156 8.576 8.370 0.083 0.000 0.421 190 S N -1.226 114.552 115.700 0.131 0.000 2.646 190 S HA 0.409 5.011 4.470 0.084 -0.082 0.276 190 S C -1.194 173.451 174.600 0.075 0.000 1.222 190 S CA -0.603 57.663 58.200 0.109 0.000 1.014 190 S CB 1.523 64.826 63.200 0.172 0.000 0.991 190 S HN 0.227 8.632 8.310 0.159 0.000 0.533 191 c N -0.024 118.620 118.600 0.075 0.000 3.321 191 c HA 0.412 5.021 4.570 0.066 0.000 0.363 191 c C -1.216 172.944 174.090 0.117 0.000 1.705 191 c CA -1.660 54.712 56.329 0.073 0.000 1.298 191 c CB 3.244 45.777 42.510 0.038 0.000 2.086 191 c HN 0.485 9.112 8.230 0.082 -0.347 0.438 192 Q N 1.156 121.036 119.800 0.133 0.000 2.286 192 Q HA -0.238 4.218 4.340 0.193 0.000 0.290 192 Q C 0.535 176.724 176.000 0.314 0.000 1.049 192 Q CA 1.275 57.202 55.803 0.208 0.000 0.923 192 Q CB -0.306 28.558 28.738 0.211 0.000 1.183 192 Q HN 0.440 8.772 8.270 0.103 0.000 0.383 193 G N 4.891 113.885 108.800 0.323 0.000 2.231 193 G HA2 -0.380 3.792 3.960 0.354 0.000 0.206 193 G HA3 -0.380 3.918 3.960 0.565 0.000 0.206 193 G C 0.056 175.188 174.900 0.386 0.000 0.996 193 G CA 0.786 46.139 45.100 0.422 0.000 0.645 193 G HN 0.876 9.326 8.290 0.268 0.000 0.498 194 D N 0.924 121.480 120.400 0.261 0.000 2.388 194 D HA 0.194 4.970 4.640 0.227 0.000 0.208 194 D C 0.186 176.587 176.300 0.167 0.000 1.035 194 D CA 0.468 54.589 54.000 0.201 0.000 0.875 194 D CB 1.027 41.912 40.800 0.141 0.000 0.984 194 D HN 0.019 8.440 8.370 0.233 0.089 0.508 195 S N -0.390 115.415 115.700 0.176 0.000 2.593 195 S HA -0.593 4.119 4.470 0.158 -0.147 0.303 195 S C 1.071 175.701 174.600 0.050 0.000 1.267 195 S CA 2.591 60.887 58.200 0.160 0.000 1.047 195 S CB 0.121 63.517 63.200 0.327 0.000 0.777 195 S HN -0.325 8.106 8.310 0.202 0.000 0.498 196 G N 4.428 113.228 108.800 0.000 0.000 2.320 196 G HA2 -0.465 3.539 3.960 -0.058 0.000 0.242 196 G HA3 -0.465 3.575 3.960 -0.055 -0.113 0.242 196 G C 0.108 175.032 174.900 0.041 0.000 1.033 196 G CA 0.182 45.267 45.100 -0.025 0.000 0.620 196 G HN 0.903 9.100 8.290 0.014 0.101 0.517 197 G N 1.275 110.124 108.800 0.082 0.000 2.621 197 G HA2 0.339 4.363 3.960 0.107 0.000 0.271 197 G HA3 0.339 4.362 3.960 0.105 0.000 0.271 197 G C -2.686 172.284 174.900 0.117 0.000 1.236 197 G CA -1.723 43.439 45.100 0.105 0.000 0.958 197 G HN -0.214 8.031 8.290 0.090 0.100 0.512 198 P HA 0.514 5.169 4.420 0.116 -0.165 0.285 198 P C -1.540 175.820 177.300 0.100 0.000 1.269 198 P CA -1.367 61.815 63.100 0.137 0.000 0.844 198 P CB 2.154 33.990 31.700 0.228 0.000 1.094 199 V N 1.022 120.977 119.914 0.069 0.000 2.462 199 V HA 0.361 4.672 4.120 -0.008 -0.196 0.288 199 V C -1.022 175.084 176.094 0.020 0.000 1.020 199 V CA -0.368 61.941 62.300 0.014 0.000 0.857 199 V CB 1.891 33.706 31.823 -0.013 0.000 1.013 199 V HN -0.306 7.929 8.190 0.076 0.000 0.431 200 V N 8.195 128.112 119.914 0.005 0.000 2.459 200 V HA 0.670 4.945 4.120 -0.072 -0.198 0.295 200 V C -1.501 174.574 176.094 -0.031 0.000 1.029 200 V CA -1.234 61.037 62.300 -0.047 0.000 0.874 200 V CB 3.040 34.809 31.823 -0.090 0.000 0.985 200 V HN 0.268 8.476 8.190 0.031 0.000 0.438 201 c N 7.407 125.976 118.600 -0.051 0.000 2.396 201 c HA 0.553 5.102 4.570 -0.035 0.000 0.321 201 c C 0.194 174.254 174.090 -0.049 0.000 1.233 201 c CA -1.146 55.153 56.329 -0.051 0.000 1.440 201 c CB 1.862 44.324 42.510 -0.079 0.000 2.110 201 c HN 0.835 9.027 8.230 -0.064 0.000 0.473 202 S N 4.451 120.130 115.700 -0.034 0.000 3.533 202 S HA -0.428 4.031 4.470 -0.018 0.000 0.347 202 S C 0.225 174.805 174.600 -0.033 0.000 1.101 202 S CA 1.136 59.319 58.200 -0.029 0.000 1.009 202 S CB -1.683 61.496 63.200 -0.035 0.000 0.916 202 S HN 1.048 9.343 8.310 -0.025 0.000 0.496 203 G N -5.239 103.539 108.800 -0.038 0.000 2.143 203 G HA2 -0.499 3.423 3.960 -0.062 0.000 0.248 203 G HA3 -0.499 3.439 3.960 -0.036 0.000 0.248 203 G C -1.228 173.619 174.900 -0.087 0.000 0.991 203 G CA 0.277 45.344 45.100 -0.056 0.000 0.689 203 G HN 0.243 8.491 8.290 -0.031 0.024 0.522 210 Q N 0.925 120.738 119.800 0.021 0.000 2.392 210 Q HA 0.200 4.563 4.340 0.039 0.000 0.219 210 Q C -0.166 175.977 176.000 0.238 0.000 0.895 210 Q CA 0.139 55.971 55.803 0.048 0.000 0.929 210 Q CB 2.667 31.351 28.738 -0.091 0.000 1.077 210 Q HN 0.386 8.661 8.270 0.009 0.000 0.532 211 G N -2.790 106.171 108.800 0.268 0.000 2.725 211 G HA2 0.672 5.099 3.960 0.393 0.000 0.288 211 G HA3 0.672 4.881 3.960 0.414 0.000 0.288 211 G C -3.094 171.910 174.900 0.173 0.000 1.399 211 G CA -0.825 44.475 45.100 0.334 0.000 0.859 211 G HN -0.284 8.102 8.290 0.160 0.000 0.479 212 I N -1.880 118.783 120.570 0.156 0.000 2.619 212 I HA 0.596 5.070 4.170 0.120 -0.232 0.292 212 I C -0.670 175.550 176.117 0.171 0.000 1.100 212 I CA -1.373 59.999 61.300 0.120 0.000 1.043 212 I CB 4.765 42.796 38.000 0.051 0.000 1.239 212 I HN -0.448 7.849 8.210 0.146 0.000 0.420 213 V N 5.898 125.921 119.914 0.182 0.000 2.485 213 V HA -0.151 4.064 4.120 0.157 0.000 0.287 213 V C -1.194 174.912 176.094 0.020 0.000 1.022 213 V CA 1.829 64.207 62.300 0.130 0.000 1.067 213 V CB -0.801 31.122 31.823 0.165 0.000 0.967 213 V HN 0.496 8.673 8.190 0.153 0.104 0.479 214 S N 7.553 123.183 115.700 -0.118 0.000 3.142 214 S HA 0.360 4.992 4.470 0.270 0.000 0.223 214 S C -0.741 173.982 174.600 0.205 0.000 0.939 214 S CA 0.938 59.212 58.200 0.123 0.000 0.826 214 S CB 2.472 65.727 63.200 0.093 0.000 0.823 214 S HN 0.119 8.169 8.310 -0.433 0.000 0.612 215 W N -3.981 117.185 121.300 -0.224 0.000 3.179 215 W HA 0.292 4.857 4.660 -0.158 0.000 0.372 215 W C -2.628 173.722 176.519 -0.283 0.000 1.137 215 W CA -0.986 56.227 57.345 -0.222 0.000 1.100 215 W CB 0.621 29.949 29.460 -0.220 0.000 1.503 215 W HN -0.547 7.355 8.180 -0.464 0.000 0.601 216 G N -3.049 105.877 108.800 0.211 0.000 2.356 216 G HA2 0.096 3.878 3.960 -0.297 0.000 0.294 216 G HA3 0.096 4.025 3.960 -0.052 0.000 0.294 216 G C -2.274 172.766 174.900 0.235 0.000 1.423 216 G CA 0.257 45.364 45.100 0.012 0.000 0.806 216 G HN -0.044 8.532 8.290 0.477 0.000 0.527 220 c N 1.946 120.584 118.600 0.064 0.000 3.370 220 c HA 0.353 5.150 4.570 0.065 -0.188 0.190 220 c C -1.398 172.725 174.090 0.054 0.000 1.647 220 c CA -1.094 55.269 56.329 0.057 0.000 1.277 220 c CB -1.528 41.008 42.510 0.042 0.000 2.037 220 c HN 0.301 8.565 8.230 0.057 0.000 0.537 221 Q N -2.287 117.550 119.800 0.063 0.000 2.994 221 Q HA 0.135 4.500 4.340 0.041 0.000 0.287 221 Q C -1.591 174.437 176.000 0.048 0.000 0.916 221 Q CA -1.102 54.732 55.803 0.051 0.000 0.806 221 Q CB 1.872 30.644 28.738 0.057 0.000 1.711 221 Q HN -0.201 8.114 8.270 0.074 0.000 0.477 222 K N 2.890 123.309 120.400 0.033 0.000 2.350 222 K HA -0.176 4.283 4.320 0.036 -0.117 0.279 222 K C 0.106 176.709 176.600 0.006 0.000 1.027 222 K CA 0.370 56.672 56.287 0.025 0.000 0.969 222 K CB 0.043 32.554 32.500 0.018 0.000 0.954 222 K HN 0.216 8.484 8.250 0.029 0.000 0.474 223 N N 2.674 121.374 118.700 -0.001 0.000 2.732 223 N HA -0.459 4.260 4.740 -0.034 0.000 0.250 223 N C -1.539 173.905 175.510 -0.110 0.000 1.097 223 N CA 1.833 54.856 53.050 -0.045 0.000 0.812 223 N CB -0.431 38.023 38.487 -0.055 0.000 1.148 223 N HN 0.689 8.961 8.380 0.018 0.119 0.572 224 K N -2.376 117.992 120.400 -0.052 0.000 2.800 224 K HA 0.513 4.654 4.320 -0.300 0.000 0.185 224 K C -1.862 174.811 176.600 0.121 0.000 1.082 224 K CA -3.506 52.759 56.287 -0.036 0.000 0.978 224 K CB -0.588 31.954 32.500 0.070 0.000 1.364 224 K HN -0.801 7.378 8.250 0.003 0.072 0.592 225 P HA -0.129 4.360 4.420 0.116 0.000 0.271 225 P C -0.475 176.886 177.300 0.102 0.000 1.238 225 P CA -0.151 63.025 63.100 0.126 0.000 0.794 225 P CB 0.917 32.677 31.700 0.099 0.000 0.959 226 G N -2.605 106.213 108.800 0.030 0.000 2.448 226 G HA2 0.396 4.150 3.960 -0.342 0.000 0.285 226 G HA3 0.396 4.202 3.960 -0.256 0.000 0.285 226 G C -2.030 172.507 174.900 -0.604 0.000 1.176 226 G CA -0.966 43.960 45.100 -0.290 0.000 0.852 226 G HN -0.383 7.988 8.290 0.135 0.000 0.530 227 V N 1.877 121.102 119.914 -1.149 0.000 2.513 227 V HA 0.784 4.654 4.120 -0.733 -0.189 0.299 227 V C -0.983 174.283 176.094 -1.380 0.000 1.035 227 V CA -1.222 60.370 62.300 -1.180 0.000 0.889 227 V CB 2.159 32.939 31.823 -1.740 0.000 0.988 227 V HN 0.249 7.749 8.190 -1.150 0.000 0.440 228 Y N 4.103 123.970 120.300 -0.721 0.000 2.536 228 Y HA 0.626 5.070 4.550 -0.411 -0.140 0.347 228 Y C 0.153 175.744 175.900 -0.514 0.000 1.000 228 Y CA -2.183 55.504 58.100 -0.687 0.000 1.051 228 Y CB 3.809 41.562 38.460 -1.178 0.000 1.259 228 Y HN 0.942 8.809 8.280 -0.689 0.000 0.468 229 T N 4.332 118.833 114.554 -0.088 0.000 2.884 229 T HA 0.087 4.633 4.350 0.072 -0.152 0.298 229 T C -0.847 173.978 174.700 0.210 0.000 0.998 229 T CA 1.261 63.392 62.100 0.052 0.000 1.124 229 T CB 0.657 69.534 68.868 0.015 0.000 0.931 229 T HN 0.253 8.470 8.240 -0.037 0.000 0.531 230 K N 7.600 128.210 120.400 0.350 0.000 2.219 230 K HA 0.153 4.860 4.320 0.645 0.000 0.280 230 K C 1.088 177.931 176.600 0.406 0.000 1.104 230 K CA -0.727 55.835 56.287 0.458 0.000 0.925 230 K CB -0.087 32.635 32.500 0.369 0.000 1.261 230 K HN 0.014 8.349 8.250 0.314 0.104 0.445 231 V N 6.739 126.860 119.914 0.345 0.000 2.407 231 V HA -0.499 3.886 4.120 0.441 0.000 0.248 231 V C 1.285 177.527 176.094 0.246 0.000 1.055 231 V CA 3.946 66.435 62.300 0.317 0.000 1.049 231 V CB -0.112 31.827 31.823 0.193 0.000 0.662 231 V HN 0.279 8.680 8.190 0.351 0.000 0.455 232 c N -4.280 114.403 118.600 0.138 0.000 2.400 232 c HA -0.189 4.415 4.570 0.057 0.000 0.291 232 c C 1.129 175.232 174.090 0.021 0.000 1.372 232 c CA 1.392 57.756 56.329 0.059 0.000 1.800 232 c CB -2.068 40.446 42.510 0.007 0.000 1.869 232 c HN 0.512 8.820 8.230 0.130 0.000 0.533 233 N N 0.292 118.985 118.700 -0.012 0.000 2.422 233 N HA -0.029 4.608 4.740 -0.170 0.000 0.181 233 N C 0.224 175.475 175.510 -0.431 0.000 1.080 233 N CA 1.034 53.934 53.050 -0.250 0.000 0.893 233 N CB 0.176 38.397 38.487 -0.443 0.000 0.973 233 N HN -0.519 7.843 8.380 0.082 0.067 0.456 234 Y N -3.820 116.524 120.300 0.074 0.000 2.481 234 Y HA 0.154 4.800 4.550 0.161 0.000 0.247 234 Y C 0.445 176.465 175.900 0.200 0.000 1.151 234 Y CA -0.007 58.185 58.100 0.154 0.000 1.238 234 Y CB 0.201 38.760 38.460 0.166 0.000 1.179 234 Y HN -0.034 8.171 8.280 0.186 0.187 0.524 235 V N 1.026 121.065 119.914 0.208 0.000 2.332 235 V HA -0.559 3.652 4.120 0.152 0.000 0.248 235 V C 1.411 177.577 176.094 0.121 0.000 1.055 235 V CA 5.035 67.421 62.300 0.143 0.000 1.038 235 V CB -0.888 30.979 31.823 0.074 0.000 0.651 235 V HN -0.410 7.864 8.190 0.141 0.000 0.450 236 S N -0.123 115.648 115.700 0.118 0.000 2.383 236 S HA -0.314 4.180 4.470 0.041 0.000 0.227 236 S C 1.765 176.443 174.600 0.129 0.000 1.026 236 S CA 2.967 61.221 58.200 0.090 0.000 0.981 236 S CB -0.399 62.848 63.200 0.078 0.000 0.818 236 S HN -0.036 8.339 8.310 0.108 0.000 0.472 237 W N 3.910 125.243 121.300 0.056 0.000 2.381 237 W HA -0.155 4.537 4.660 0.054 0.000 0.301 237 W C 1.514 178.055 176.519 0.037 0.000 1.205 237 W CA 3.184 60.581 57.345 0.086 0.000 1.285 237 W CB 0.046 29.640 29.460 0.224 0.000 1.133 237 W HN -0.409 7.983 8.180 0.376 0.014 0.521 238 I N -0.793 119.849 120.570 0.121 0.000 2.179 238 I HA -0.752 3.109 4.170 -0.515 0.000 0.242 238 I C 1.829 177.739 176.117 -0.345 0.000 1.088 238 I CA 4.556 65.733 61.300 -0.206 0.000 1.357 238 I CB -0.240 37.769 38.000 0.015 0.000 1.051 238 I HN 0.382 8.816 8.210 0.375 0.000 0.409 239 K N -0.893 119.396 120.400 -0.185 0.000 2.063 239 K HA -0.419 3.763 4.320 -0.229 0.000 0.208 239 K C 3.024 179.482 176.600 -0.237 0.000 1.048 239 K CA 3.703 59.873 56.287 -0.195 0.000 0.928 239 K CB -0.350 32.092 32.500 -0.097 0.000 0.713 239 K HN -0.130 8.080 8.250 -0.068 0.000 0.442 240 Q N -2.325 117.341 119.800 -0.224 0.000 2.123 240 Q HA -0.227 4.020 4.340 -0.156 0.000 0.199 240 Q C 2.505 178.320 176.000 -0.307 0.000 0.966 240 Q CA 3.172 58.851 55.803 -0.208 0.000 0.845 240 Q CB 0.151 28.811 28.738 -0.130 0.000 0.907 240 Q HN 0.153 8.313 8.270 -0.184 0.000 0.439 241 T N 3.170 117.418 114.554 -0.510 0.000 2.674 241 T HA -0.276 3.838 4.350 -0.393 0.000 0.265 241 T C 2.305 176.695 174.700 -0.516 0.000 1.039 241 T CA 4.912 66.672 62.100 -0.566 0.000 1.150 241 T CB -0.157 68.118 68.868 -0.988 0.000 0.864 241 T HN -0.270 7.596 8.240 -0.622 0.000 0.427 242 I N 0.526 120.654 120.570 -0.738 0.000 2.248 242 I HA -0.480 2.866 4.170 -1.374 0.000 0.248 242 I C 1.972 177.865 176.117 -0.372 0.000 1.107 242 I CA 3.712 64.450 61.300 -0.938 0.000 1.373 242 I CB -0.476 36.876 38.000 -1.080 0.000 1.055 242 I HN -0.071 7.682 8.210 -0.762 0.000 0.418 243 A N -1.390 121.265 122.820 -0.276 0.000 2.015 243 A HA -0.157 4.105 4.320 -0.097 0.000 0.219 243 A C 0.930 178.470 177.584 -0.073 0.000 1.163 243 A CA 2.575 54.532 52.037 -0.133 0.000 0.646 243 A CB -0.523 18.406 19.000 -0.119 0.000 0.806 243 A HN -0.280 7.581 8.150 -0.326 0.093 0.448 244 S N -4.482 111.163 115.700 -0.091 0.000 2.556 244 S HA 0.122 4.581 4.470 -0.019 0.000 0.216 244 S C -0.338 174.273 174.600 0.019 0.000 0.970 244 S CA 0.650 58.828 58.200 -0.036 0.000 0.912 244 S CB 1.225 64.393 63.200 -0.054 0.000 0.790 244 S HN -0.386 7.683 8.310 -0.159 0.146 0.504 245 N N 0.000 118.744 118.700 0.073 0.000 1.763 245 N HA 0.000 4.817 4.740 0.128 0.000 0.220 245 N CA 0.000 53.170 53.050 0.200 0.000 0.885 245 N CB 0.000 38.679 38.487 0.320 0.000 1.341 245 N HN 0.000 8.236 8.380 0.031 0.162 0.667