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 1gi6_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 4.182 4.170 0.019 0.000 0.288 16 I C 0.000 176.107 176.117 -0.017 0.000 1.063 16 I CA 0.000 61.293 61.300 -0.012 0.000 1.566 16 I CB 0.000 37.958 38.000 -0.070 0.000 1.214 17 V N 5.732 125.647 119.914 0.003 0.000 2.435 17 V HA 0.257 4.506 4.120 -0.017 -0.139 0.290 17 V C 0.620 176.714 176.094 0.000 0.000 1.030 17 V CA -1.568 60.731 62.300 -0.003 0.000 0.881 17 V CB 1.262 33.090 31.823 0.008 0.000 0.983 17 V HN 0.809 9.014 8.190 0.025 0.000 0.445 18 G N 6.815 115.609 108.800 -0.009 0.000 2.160 18 G HA2 -0.395 3.557 3.960 -0.013 0.000 0.251 18 G HA3 -0.395 3.706 3.960 -0.031 -0.159 0.251 18 G C -0.686 174.219 174.900 0.009 0.000 1.008 18 G CA 0.527 45.620 45.100 -0.013 0.000 0.724 18 G HN 0.790 9.073 8.290 -0.012 0.000 0.514 19 G N -1.081 107.723 108.800 0.006 0.000 2.702 19 G HA2 0.542 4.554 3.960 0.087 0.000 0.254 19 G HA3 0.542 4.534 3.960 -0.097 -0.091 0.254 19 G C -1.761 173.179 174.900 0.067 0.000 1.380 19 G CA -1.064 44.040 45.100 0.006 0.000 1.042 19 G HN -0.674 7.575 8.290 -0.013 0.033 0.557 20 Y N -6.259 114.022 120.300 -0.032 0.000 2.609 20 Y HA 0.390 4.923 4.550 -0.029 0.000 0.342 20 Y C -1.797 174.077 175.900 -0.044 0.000 1.058 20 Y CA -2.853 55.227 58.100 -0.033 0.000 1.055 20 Y CB 1.119 39.562 38.460 -0.027 0.000 1.292 20 Y HN 0.413 8.231 8.280 -0.595 0.105 0.476 21 T N 2.569 117.181 114.554 0.098 0.000 2.817 21 T HA 0.065 4.489 4.350 -0.090 -0.128 0.295 21 T C 0.265 174.996 174.700 0.051 0.000 0.958 21 T CA 1.185 63.289 62.100 0.008 0.000 1.157 21 T CB -0.153 68.744 68.868 0.048 0.000 0.898 21 T HN 0.024 8.370 8.240 0.177 0.000 0.536 22 c N 6.365 124.902 118.600 -0.105 0.000 2.432 22 c HA -0.114 4.470 4.570 0.024 0.000 0.277 22 c C 0.179 174.294 174.090 0.041 0.000 1.249 22 c CA 0.932 57.231 56.329 -0.050 0.000 1.725 22 c CB 0.235 42.642 42.510 -0.171 0.000 2.028 22 c HN 0.010 8.124 8.230 -0.194 0.000 0.477 23 G N -2.232 106.574 108.800 0.011 0.000 2.885 23 G HA2 -0.166 3.813 3.960 0.031 0.000 0.685 23 G HA3 -0.166 3.816 3.960 0.036 0.000 0.685 23 G C -1.906 172.998 174.900 0.007 0.000 1.216 23 G CA -0.832 44.283 45.100 0.025 0.000 0.790 23 G HN -0.353 7.927 8.290 -0.017 0.000 0.631 24 A N 3.976 126.807 122.820 0.018 0.000 2.566 24 A HA -0.249 4.325 4.320 0.031 -0.236 0.245 24 A C -0.160 177.430 177.584 0.011 0.000 1.056 24 A CA 1.150 53.201 52.037 0.023 0.000 0.757 24 A CB 0.014 19.032 19.000 0.031 0.000 0.979 24 A HN 0.340 8.504 8.150 0.024 0.000 0.508 25 N N -2.530 116.174 118.700 0.007 0.000 2.714 25 N HA -0.383 4.349 4.740 -0.014 0.000 0.250 25 N C 0.371 175.864 175.510 -0.029 0.000 1.117 25 N CA 1.647 54.692 53.050 -0.008 0.000 0.719 25 N CB -0.932 37.561 38.487 0.010 0.000 1.081 25 N HN 0.566 8.957 8.380 0.019 0.000 0.557 26 T N -3.583 110.946 114.554 -0.042 0.000 3.129 26 T HA 0.023 4.365 4.350 -0.012 0.000 0.251 26 T C -0.100 174.550 174.700 -0.084 0.000 1.117 26 T CA 1.967 64.046 62.100 -0.034 0.000 1.034 26 T CB 0.459 69.323 68.868 -0.008 0.000 0.968 26 T HN -0.531 7.649 8.240 -0.045 0.033 0.526 27 V N 2.233 122.036 119.914 -0.184 0.000 2.320 27 V HA 0.372 4.248 4.120 -0.406 0.000 0.257 27 V C -1.530 174.258 176.094 -0.510 0.000 0.996 27 V CA -3.434 58.607 62.300 -0.432 0.000 0.928 27 V CB 0.578 32.128 31.823 -0.455 0.000 1.169 27 V HN -0.538 7.487 8.190 -0.155 0.071 0.475 28 P HA 0.041 4.509 4.420 -0.084 -0.098 0.226 28 P C 0.253 177.501 177.300 -0.087 0.000 1.153 28 P CA 1.658 64.688 63.100 -0.117 0.000 0.777 28 P CB 0.121 31.826 31.700 0.009 0.000 0.794 29 Y N -5.904 114.421 120.300 0.043 0.000 2.482 29 Y HA 0.435 5.155 4.550 0.057 -0.136 0.270 29 Y C -0.416 175.522 175.900 0.062 0.000 1.152 29 Y CA -3.042 55.089 58.100 0.052 0.000 1.292 29 Y CB -1.391 37.096 38.460 0.044 0.000 1.070 29 Y HN -0.433 7.262 8.280 -0.899 0.046 0.528 30 Q N 2.730 122.391 119.800 -0.232 0.000 2.313 30 Q HA 0.140 4.653 4.340 0.071 -0.130 0.266 30 Q C -0.306 175.773 176.000 0.131 0.000 0.989 30 Q CA 0.274 56.052 55.803 -0.041 0.000 0.890 30 Q CB 0.977 29.589 28.738 -0.210 0.000 1.200 30 Q HN -0.619 7.278 8.270 -0.524 0.058 0.396 31 V N 1.382 121.411 119.914 0.192 0.000 3.001 31 V HA 0.793 5.138 4.120 0.191 -0.111 0.314 31 V C -2.079 174.163 176.094 0.247 0.000 1.099 31 V CA -2.855 59.556 62.300 0.185 0.000 0.989 31 V CB 3.937 35.819 31.823 0.098 0.000 1.040 31 V HN 0.281 8.580 8.190 0.183 0.000 0.434 32 S N 0.728 116.484 115.700 0.093 0.000 2.454 32 S HA 0.443 5.145 4.470 0.211 -0.105 0.306 32 S C -1.008 173.463 174.600 -0.215 0.000 1.100 32 S CA -1.940 56.253 58.200 -0.011 0.000 1.087 32 S CB 1.702 64.694 63.200 -0.346 0.000 1.019 32 S HN 0.064 8.387 8.310 0.021 0.000 0.480 33 L N 6.996 127.945 121.223 -0.457 0.000 2.275 33 L HA 0.513 4.744 4.340 -0.383 -0.121 0.288 33 L C -1.489 174.908 176.870 -0.789 0.000 1.046 33 L CA -0.770 53.677 54.840 -0.656 0.000 0.805 33 L CB 0.869 42.329 42.059 -0.998 0.000 1.193 33 L HN 0.747 8.655 8.230 -0.536 0.000 0.426 38 G N 0.086 108.771 108.800 -0.190 0.000 2.176 38 G HA2 -0.297 3.641 3.960 -0.036 0.000 0.232 38 G HA3 -0.297 3.705 3.960 0.071 0.000 0.232 38 G C -1.478 173.486 174.900 0.107 0.000 0.986 38 G CA 0.396 45.487 45.100 -0.015 0.000 0.643 38 G HN 0.240 8.703 8.290 -0.212 -0.300 0.522 39 Y N -7.177 113.097 120.300 -0.042 0.000 2.702 39 Y HA 0.210 4.721 4.550 -0.065 0.000 0.336 39 Y C -2.527 173.366 175.900 -0.011 0.000 1.203 39 Y CA -3.406 54.669 58.100 -0.041 0.000 1.072 39 Y CB 0.719 39.153 38.460 -0.043 0.000 1.327 39 Y HN -1.170 6.868 8.280 -0.441 -0.022 0.456 40 H N 2.082 121.117 119.070 -0.058 0.000 2.690 40 H HA 0.011 4.528 4.556 -0.324 -0.156 0.314 40 H C -0.725 174.607 175.328 0.007 0.000 1.069 40 H CA 0.137 56.079 56.048 -0.177 0.000 1.436 40 H CB 0.360 29.993 29.762 -0.215 0.000 1.462 40 H HN 0.207 8.596 8.280 0.181 0.000 0.511 41 F N 1.286 120.820 119.950 -0.693 0.000 2.789 41 F HA 0.357 4.812 4.527 -0.119 0.000 0.320 41 F C -1.546 174.012 175.800 -0.404 0.000 1.079 41 F CA -0.418 57.366 58.000 -0.361 0.000 1.205 41 F CB 1.731 40.598 39.000 -0.221 0.000 1.046 41 F HN -0.324 7.308 8.300 -1.114 0.000 0.586 42 c N -1.589 116.357 118.600 -1.090 0.000 3.311 42 c HA 0.337 4.798 4.570 -0.182 0.000 0.325 42 c C -1.687 172.196 174.090 -0.344 0.000 1.352 42 c CA -0.192 55.837 56.329 -0.500 0.000 1.308 42 c CB 3.965 46.254 42.510 -0.368 0.000 1.619 42 c HN -0.828 6.441 8.230 -1.601 0.000 0.469 43 G N -0.848 107.948 108.800 -0.006 0.000 2.705 43 G HA2 0.817 5.073 3.960 0.246 0.000 0.299 43 G HA3 0.817 4.914 3.960 0.228 0.000 0.299 43 G C -2.501 172.426 174.900 0.044 0.000 1.315 43 G CA -1.628 43.563 45.100 0.152 0.000 1.045 43 G HN 0.743 9.041 8.290 0.013 0.000 0.517 44 G N -4.023 104.835 108.800 0.097 0.000 2.495 44 G HA2 0.530 4.828 3.960 0.072 0.000 0.294 44 G HA3 0.530 4.521 3.960 0.052 0.000 0.294 44 G C -2.915 172.068 174.900 0.138 0.000 1.397 44 G CA 0.320 45.469 45.100 0.082 0.000 0.790 44 G HN -0.591 7.791 8.290 0.152 0.000 0.486 45 S N -0.540 115.248 115.700 0.146 0.000 2.521 45 S HA 0.770 5.591 4.470 0.266 -0.192 0.295 45 S C -1.359 173.345 174.600 0.173 0.000 1.098 45 S CA -0.879 57.441 58.200 0.201 0.000 0.999 45 S CB 3.790 67.096 63.200 0.176 0.000 1.034 45 S HN 0.381 8.764 8.310 0.121 0.000 0.483 46 L N 6.192 127.534 121.223 0.198 0.000 2.313 46 L HA 0.170 4.713 4.340 0.149 -0.114 0.282 46 L C -0.708 176.247 176.870 0.143 0.000 1.092 46 L CA -0.179 54.758 54.840 0.163 0.000 0.831 46 L CB 0.959 43.114 42.059 0.160 0.000 1.159 46 L HN 0.379 8.766 8.230 0.261 0.000 0.442 47 I N 0.438 121.087 120.570 0.132 0.000 4.070 47 I HA 0.492 4.859 4.170 0.064 -0.159 0.328 47 I C -0.890 175.284 176.117 0.094 0.000 1.298 47 I CA -0.528 60.826 61.300 0.090 0.000 1.173 47 I CB 0.836 38.879 38.000 0.071 0.000 1.051 47 I HN 0.131 8.437 8.210 0.160 0.000 0.409 48 N N -2.258 116.521 118.700 0.132 0.000 3.179 48 N HA 0.175 4.970 4.740 0.092 0.000 0.250 48 N C -0.708 174.880 175.510 0.131 0.000 1.507 48 N CA -0.620 52.504 53.050 0.124 0.000 0.883 48 N CB 0.804 39.373 38.487 0.137 0.000 1.435 48 N HN -0.925 7.550 8.380 0.159 0.000 0.532 49 S N -3.941 111.825 115.700 0.109 0.000 2.555 49 S HA -0.260 4.255 4.470 0.075 0.000 0.230 49 S C 0.682 175.320 174.600 0.063 0.000 0.978 49 S CA 2.501 60.749 58.200 0.080 0.000 0.934 49 S CB -0.115 63.120 63.200 0.058 0.000 0.766 49 S HN 0.352 8.723 8.310 0.102 0.000 0.533 50 Q N -0.176 119.679 119.800 0.091 0.000 2.140 50 Q HA 0.352 4.643 4.340 -0.080 0.000 0.227 50 Q C -2.171 173.732 176.000 -0.161 0.000 0.798 50 Q CA -0.300 55.468 55.803 -0.058 0.000 0.987 50 Q CB 2.885 31.560 28.738 -0.106 0.000 1.161 50 Q HN 0.113 8.798 8.270 0.185 -0.303 0.480 51 W N -2.102 119.205 121.300 0.012 0.000 2.936 51 W HA 0.725 5.585 4.660 0.009 -0.194 0.338 51 W C -1.390 175.144 176.519 0.024 0.000 1.121 51 W CA -1.077 56.274 57.345 0.011 0.000 1.209 51 W CB 3.826 33.284 29.460 -0.004 0.000 1.420 51 W HN -0.270 8.238 8.180 0.293 -0.153 0.516 52 V N 0.594 120.672 119.914 0.274 0.000 2.823 52 V HA 0.812 5.216 4.120 0.172 -0.181 0.312 52 V C -1.420 174.789 176.094 0.192 0.000 1.072 52 V CA -1.816 60.593 62.300 0.182 0.000 0.937 52 V CB 3.851 35.739 31.823 0.109 0.000 1.013 52 V HN 0.625 8.995 8.190 0.299 0.000 0.430 53 V N 5.174 125.177 119.914 0.148 0.000 2.555 53 V HA 0.788 5.178 4.120 0.155 -0.176 0.302 53 V C -1.300 174.851 176.094 0.095 0.000 1.038 53 V CA -1.327 61.053 62.300 0.133 0.000 0.887 53 V CB 2.455 34.349 31.823 0.119 0.000 0.991 53 V HN 0.485 8.757 8.190 0.137 0.000 0.434 54 S N 4.152 119.893 115.700 0.069 0.000 2.880 54 S HA 0.560 5.271 4.470 0.028 -0.224 0.308 54 S C -2.091 172.495 174.600 -0.023 0.000 1.195 54 S CA -2.502 55.709 58.200 0.020 0.000 0.866 54 S CB 2.499 65.699 63.200 0.000 0.000 1.254 54 S HN 0.638 8.998 8.310 0.084 0.000 0.571 55 A N -0.554 122.208 122.820 -0.096 0.000 2.303 55 A HA 0.439 4.837 4.320 -0.124 -0.152 0.317 55 A C 0.763 178.211 177.584 -0.227 0.000 1.149 55 A CA -1.596 50.337 52.037 -0.173 0.000 0.822 55 A CB 1.581 20.412 19.000 -0.280 0.000 1.131 55 A HN 0.239 8.321 8.150 -0.112 0.000 0.493 56 A N 4.182 126.814 122.820 -0.312 0.000 1.940 56 A HA -0.268 3.885 4.320 -0.278 0.000 0.219 56 A C 1.473 178.807 177.584 -0.416 0.000 1.176 56 A CA 3.047 54.779 52.037 -0.509 0.000 0.631 56 A CB -0.556 17.727 19.000 -1.196 0.000 0.814 56 A HN 0.611 8.590 8.150 -0.291 -0.004 0.446 57 H N -4.984 113.923 119.070 -0.272 0.000 2.563 57 H HA -0.081 4.506 4.556 0.052 0.000 0.272 57 H C 0.243 175.620 175.328 0.082 0.000 1.005 57 H CA 1.421 57.472 56.048 0.005 0.000 1.171 57 H CB -1.177 28.657 29.762 0.120 0.000 1.351 57 H HN 0.022 8.463 8.280 -0.226 -0.297 0.602 58 c N -1.785 116.736 118.600 -0.130 0.000 2.697 58 c HA 0.018 4.673 4.570 0.140 0.000 0.267 58 c C 0.365 174.543 174.090 0.146 0.000 1.278 58 c CA 0.095 56.450 56.329 0.045 0.000 1.708 58 c CB -1.550 40.942 42.510 -0.029 0.000 1.860 58 c HN -0.219 7.684 8.230 -0.230 0.189 0.589 59 Y N 2.999 123.301 120.300 0.005 0.000 2.702 59 Y HA -0.264 4.308 4.550 0.037 0.000 0.336 59 Y C -1.127 174.758 175.900 -0.025 0.000 1.235 59 Y CA 2.064 60.170 58.100 0.009 0.000 1.492 59 Y CB 0.763 39.215 38.460 -0.013 0.000 1.308 59 Y HN -0.547 7.654 8.280 0.159 0.175 0.589 60 K N 5.961 125.632 120.400 -1.215 0.000 2.711 60 K HA 0.191 4.078 4.320 -0.722 0.000 0.294 60 K C -2.295 173.794 176.600 -0.851 0.000 1.037 60 K CA -0.945 54.818 56.287 -0.875 0.000 0.858 60 K CB 2.412 34.566 32.500 -0.576 0.000 1.521 60 K HN -0.137 7.297 8.250 -1.361 0.000 0.386 61 S N -0.387 115.033 115.700 -0.466 0.000 2.687 61 S HA 0.133 4.438 4.470 -0.274 0.000 0.283 61 S C 0.774 175.246 174.600 -0.214 0.000 1.170 61 S CA -0.288 57.752 58.200 -0.266 0.000 1.008 61 S CB 1.202 64.333 63.200 -0.115 0.000 1.026 61 S HN -0.164 7.940 8.310 -0.344 0.000 0.541 62 G N 0.017 108.732 108.800 -0.143 0.000 2.212 62 G HA2 -0.239 3.667 3.960 -0.089 0.000 0.255 62 G HA3 -0.239 3.645 3.960 -0.127 0.000 0.255 62 G C -1.532 173.298 174.900 -0.116 0.000 1.062 62 G CA 0.116 45.145 45.100 -0.119 0.000 0.815 62 G HN 0.314 8.536 8.290 -0.114 0.000 0.497 63 I N -1.090 119.424 120.570 -0.093 0.000 2.365 63 I HA 0.053 4.350 4.170 0.020 -0.114 0.291 63 I C -1.616 174.464 176.117 -0.063 0.000 1.004 63 I CA -0.647 60.634 61.300 -0.032 0.000 1.311 63 I CB 0.606 38.609 38.000 0.005 0.000 1.401 63 I HN -0.467 7.683 8.210 -0.100 0.000 0.491 64 Q N 7.215 126.961 119.800 -0.089 0.000 3.018 64 Q HA 0.476 4.764 4.340 -0.087 0.000 0.209 64 Q C -1.606 174.302 176.000 -0.152 0.000 1.036 64 Q CA -1.866 53.864 55.803 -0.121 0.000 0.886 64 Q CB 4.186 32.819 28.738 -0.175 0.000 2.058 64 Q HN 0.539 8.760 8.270 -0.082 0.000 0.452 65 R N -2.598 117.837 120.500 -0.108 0.000 2.937 65 R HA 0.391 4.975 4.340 0.137 -0.161 0.273 65 R C -1.396 174.942 176.300 0.062 0.000 1.176 65 R CA 0.008 56.091 56.100 -0.029 0.000 1.132 65 R CB 2.412 32.548 30.300 -0.274 0.000 1.270 65 R HN 0.541 8.726 8.270 -0.141 0.000 0.425 70 E N -0.437 119.859 120.200 0.160 0.000 2.283 70 E HA 0.130 4.560 4.350 0.133 0.000 0.271 70 E C -1.837 174.943 176.600 0.301 0.000 1.031 70 E CA 0.261 56.773 56.400 0.186 0.000 0.868 70 E CB 1.527 31.282 29.700 0.091 0.000 1.094 70 E HN -0.622 7.815 8.360 0.182 0.032 0.401 71 D N 1.049 121.606 120.400 0.261 0.000 2.912 71 D HA 0.052 4.911 4.640 0.366 0.000 0.170 71 D C -1.042 175.454 176.300 0.325 0.000 1.484 71 D CA 1.008 55.179 54.000 0.286 0.000 1.542 71 D CB 2.433 43.317 40.800 0.140 0.000 1.344 71 D HN 0.093 8.566 8.370 0.172 0.000 0.222 72 N N 1.286 120.087 118.700 0.168 0.000 2.405 72 N HA 0.138 5.101 4.740 0.164 -0.124 0.260 72 N C 2.087 177.601 175.510 0.007 0.000 1.152 72 N CA -0.404 52.714 53.050 0.112 0.000 0.948 72 N CB 0.328 38.858 38.487 0.072 0.000 1.111 72 N HN -0.484 8.249 8.380 0.125 -0.278 0.485 73 I N 0.751 121.233 120.570 -0.147 0.000 3.444 73 I HA -0.100 4.064 4.170 -0.265 -0.153 0.287 73 I C -0.678 175.353 176.117 -0.143 0.000 1.302 73 I CA 1.227 62.345 61.300 -0.304 0.000 1.368 73 I CB -0.937 36.623 38.000 -0.733 0.000 1.048 73 I HN 0.253 8.378 8.210 -0.141 0.000 0.487 74 N N -2.219 116.445 118.700 -0.060 0.000 2.184 74 N HA 0.157 4.880 4.740 -0.027 0.000 0.206 74 N C -0.925 174.591 175.510 0.011 0.000 1.151 74 N CA -0.043 52.996 53.050 -0.019 0.000 0.878 74 N CB 2.231 40.716 38.487 -0.003 0.000 1.014 74 N HN -0.078 8.567 8.380 -0.038 -0.288 0.512 75 V N 0.398 120.324 119.914 0.020 0.000 2.656 75 V HA 0.053 4.190 4.120 0.028 0.000 0.307 75 V C -1.380 174.736 176.094 0.037 0.000 1.051 75 V CA -1.069 61.249 62.300 0.029 0.000 0.893 75 V CB 3.182 35.022 31.823 0.027 0.000 0.999 75 V HN -0.834 7.395 8.190 0.012 -0.032 0.426 76 V N 7.485 127.417 119.914 0.030 0.000 2.372 76 V HA -0.158 4.195 4.120 0.020 -0.221 0.261 76 V C 0.123 176.214 176.094 -0.004 0.000 1.055 76 V CA 0.602 62.906 62.300 0.007 0.000 0.930 76 V CB -0.244 31.564 31.823 -0.025 0.000 1.031 76 V HN 0.311 8.517 8.190 0.026 0.000 0.479 77 E N 8.020 128.220 120.200 0.001 0.000 2.473 77 E HA 0.129 4.480 4.350 0.002 0.000 0.204 77 E C -0.131 176.464 176.600 -0.009 0.000 0.994 77 E CA -0.369 56.032 56.400 0.003 0.000 0.945 77 E CB 0.723 30.436 29.700 0.021 0.000 0.990 77 E HN 0.289 9.076 8.360 0.007 -0.423 0.493 78 G N 0.127 108.912 108.800 -0.025 0.000 2.576 78 G HA2 -0.216 3.710 3.960 -0.057 0.000 0.686 78 G HA3 -0.216 3.729 3.960 -0.025 0.000 0.686 78 G C -1.728 173.156 174.900 -0.025 0.000 1.242 78 G CA -0.703 44.376 45.100 -0.035 0.000 0.819 78 G HN -0.435 8.108 8.290 -0.033 -0.272 0.655 79 N N -3.649 115.031 118.700 -0.035 0.000 2.980 79 N HA -0.264 4.464 4.740 -0.020 0.000 0.213 79 N C -0.956 174.541 175.510 -0.022 0.000 0.892 79 N CA 1.244 54.283 53.050 -0.018 0.000 1.025 79 N CB -0.282 38.209 38.487 0.006 0.000 1.030 79 N HN 0.157 8.507 8.380 -0.049 0.000 0.585 80 E N -0.772 119.393 120.200 -0.058 0.000 2.373 80 E HA 0.112 4.713 4.350 0.034 -0.231 0.267 80 E C -0.135 176.384 176.600 -0.135 0.000 1.032 80 E CA 0.781 57.140 56.400 -0.067 0.000 0.889 80 E CB 0.436 30.026 29.700 -0.183 0.000 0.984 80 E HN -0.187 8.034 8.360 -0.077 0.093 0.425 81 Q N 2.156 121.947 119.800 -0.015 0.000 2.292 81 Q HA 0.269 4.547 4.340 -0.104 0.000 0.270 81 Q C -1.474 174.654 176.000 0.212 0.000 1.024 81 Q CA -1.166 54.636 55.803 -0.002 0.000 0.768 81 Q CB 2.876 31.632 28.738 0.030 0.000 1.250 81 Q HN 0.274 8.607 8.270 0.106 0.000 0.447 82 F N 3.595 123.526 119.950 -0.032 0.000 2.411 82 F HA 0.421 5.093 4.527 -0.047 -0.174 0.352 82 F C -0.136 175.640 175.800 -0.040 0.000 1.123 82 F CA -2.949 55.026 58.000 -0.042 0.000 1.044 82 F CB 0.975 39.949 39.000 -0.044 0.000 1.135 82 F HN 0.358 8.675 8.300 0.028 0.000 0.461 83 I N 3.968 124.611 120.570 0.122 0.000 2.582 83 I HA 0.246 4.444 4.170 0.046 0.000 0.292 83 I C -1.304 174.811 176.117 -0.002 0.000 1.066 83 I CA -1.422 59.904 61.300 0.043 0.000 1.053 83 I CB 4.050 42.061 38.000 0.018 0.000 1.241 83 I HN 0.791 9.059 8.210 0.096 0.000 0.421 84 S N 5.190 120.880 115.700 -0.017 0.000 2.603 84 S HA 0.075 4.517 4.470 -0.047 0.000 0.268 84 S C -0.534 174.030 174.600 -0.059 0.000 1.317 84 S CA 0.741 58.917 58.200 -0.040 0.000 1.012 84 S CB 1.038 64.217 63.200 -0.036 0.000 0.926 84 S HN 0.408 8.713 8.310 -0.008 0.000 0.539 85 A N 2.819 125.600 122.820 -0.065 0.000 2.363 85 A HA 0.152 4.505 4.320 -0.098 -0.092 0.270 85 A C -0.290 177.245 177.584 -0.083 0.000 1.121 85 A CA -0.250 51.739 52.037 -0.079 0.000 0.800 85 A CB 0.561 19.526 19.000 -0.058 0.000 1.052 85 A HN -0.195 7.918 8.150 -0.060 0.000 0.493 86 S N 3.771 119.401 115.700 -0.117 0.000 2.404 86 S HA 0.037 4.463 4.470 -0.073 0.000 0.223 86 S C 0.414 174.970 174.600 -0.074 0.000 1.040 86 S CA 1.468 59.607 58.200 -0.101 0.000 0.957 86 S CB 0.911 64.026 63.200 -0.141 0.000 0.826 86 S HN 0.845 8.942 8.310 -0.165 0.114 0.491 87 K N -0.083 120.266 120.400 -0.085 0.000 2.551 87 K HA 0.281 4.616 4.320 0.026 0.000 0.269 87 K C -2.352 174.270 176.600 0.036 0.000 0.949 87 K CA -0.640 55.643 56.287 -0.006 0.000 0.849 87 K CB 3.455 35.958 32.500 0.006 0.000 1.411 87 K HN -0.783 7.379 8.250 -0.147 0.000 0.432 88 S N 1.224 117.004 115.700 0.133 0.000 2.502 88 S HA 0.684 5.415 4.470 0.168 -0.160 0.304 88 S C -0.893 173.835 174.600 0.213 0.000 1.097 88 S CA -0.458 57.863 58.200 0.202 0.000 1.045 88 S CB 2.574 65.959 63.200 0.308 0.000 1.019 88 S HN 0.168 8.572 8.310 0.158 0.000 0.481 89 I N 7.328 128.032 120.570 0.223 0.000 2.405 89 I HA 0.113 4.373 4.170 0.150 0.000 0.280 89 I C -1.555 174.698 176.117 0.228 0.000 1.027 89 I CA -0.832 60.592 61.300 0.207 0.000 1.161 89 I CB 1.381 39.517 38.000 0.226 0.000 1.300 89 I HN 1.068 9.318 8.210 0.249 0.110 0.463 90 V N 7.897 127.882 119.914 0.117 0.000 2.649 90 V HA -0.155 4.007 4.120 0.069 0.000 0.292 90 V C -0.291 175.885 176.094 0.137 0.000 1.055 90 V CA -0.504 61.833 62.300 0.061 0.000 1.023 90 V CB 0.874 32.639 31.823 -0.097 0.000 0.992 90 V HN 0.366 8.582 8.190 0.043 0.000 0.480 91 H N 8.711 127.765 119.070 -0.026 0.000 3.094 91 H HA -0.067 4.349 4.556 -0.233 0.000 0.320 91 H C -0.363 174.939 175.328 -0.043 0.000 1.000 91 H CA 0.313 56.229 56.048 -0.220 0.000 1.413 91 H CB 1.571 31.029 29.762 -0.507 0.000 1.405 91 H HN -0.200 8.120 8.280 0.066 0.000 0.586 92 P HA -0.108 4.334 4.420 0.037 0.000 0.218 92 P C -0.377 176.992 177.300 0.116 0.000 1.148 92 P CA 1.462 64.558 63.100 -0.006 0.000 0.822 92 P CB 0.368 32.039 31.700 -0.049 0.000 0.784 93 S N -3.468 112.414 115.700 0.304 0.000 2.622 93 S HA 0.037 4.568 4.470 0.102 0.000 0.236 93 S C -0.626 174.063 174.600 0.148 0.000 0.956 93 S CA 0.020 58.340 58.200 0.201 0.000 0.971 93 S CB 0.300 63.604 63.200 0.174 0.000 0.782 93 S HN -0.359 8.284 8.310 0.605 0.030 0.468 94 Y N 3.798 124.135 120.300 0.062 0.000 2.526 94 Y HA -0.288 4.405 4.550 -0.067 -0.184 0.330 94 Y C -0.989 174.898 175.900 -0.023 0.000 1.156 94 Y CA 0.685 58.775 58.100 -0.016 0.000 1.419 94 Y CB 0.790 39.248 38.460 -0.002 0.000 1.250 94 Y HN -0.800 7.590 8.280 0.324 0.084 0.540 95 N N 7.590 125.942 118.700 -0.581 0.000 2.476 95 N HA 0.207 4.676 4.740 -0.451 0.000 0.257 95 N C -0.210 174.793 175.510 -0.846 0.000 0.970 95 N CA -1.280 51.440 53.050 -0.550 0.000 0.938 95 N CB 1.622 39.943 38.487 -0.276 0.000 1.144 95 N HN -0.150 8.007 8.380 -0.371 0.000 0.500 96 S N 6.645 121.840 115.700 -0.843 0.000 2.515 96 S HA -0.079 4.009 4.470 -0.637 0.000 0.231 96 S C 0.697 175.115 174.600 -0.304 0.000 0.987 96 S CA 2.256 60.121 58.200 -0.558 0.000 0.936 96 S CB -0.168 62.867 63.200 -0.275 0.000 0.766 96 S HN 0.630 8.540 8.310 -0.668 0.000 0.528 97 N N 1.986 120.515 118.700 -0.285 0.000 2.336 97 N HA 0.058 4.676 4.740 -0.202 0.000 0.177 97 N C 1.024 176.373 175.510 -0.267 0.000 1.018 97 N CA 2.247 55.162 53.050 -0.225 0.000 0.878 97 N CB 0.715 39.097 38.487 -0.174 0.000 0.997 97 N HN 0.329 8.777 8.380 -0.313 -0.255 0.433 98 T N -4.075 110.316 114.554 -0.271 0.000 3.022 98 T HA 0.086 4.229 4.350 -0.345 0.000 0.250 98 T C 0.141 174.649 174.700 -0.322 0.000 1.060 98 T CA 0.219 62.146 62.100 -0.288 0.000 1.013 98 T CB 1.637 70.392 68.868 -0.188 0.000 0.982 98 T HN -0.367 7.997 8.240 -0.268 -0.284 0.508 99 L N -3.581 117.486 121.223 -0.259 0.000 4.291 99 L HA -0.512 3.934 4.340 0.062 -0.069 0.413 99 L C -1.840 175.056 176.870 0.042 0.000 1.162 99 L CA 0.508 55.304 54.840 -0.074 0.000 0.961 99 L CB -2.640 39.308 42.059 -0.186 0.000 2.095 99 L HN -0.103 7.902 8.230 -0.296 0.047 0.838 100 N N -1.013 117.670 118.700 -0.028 0.000 2.530 100 N HA -0.148 4.636 4.740 0.074 0.000 0.273 100 N C -0.000 175.546 175.510 0.061 0.000 1.173 100 N CA 0.636 53.702 53.050 0.026 0.000 0.967 100 N CB 1.195 39.671 38.487 -0.018 0.000 1.109 100 N HN -0.732 7.529 8.380 -0.121 0.046 0.453 101 N N -0.772 117.957 118.700 0.048 0.000 2.756 101 N HA -0.463 4.193 4.740 -0.140 0.000 0.248 101 N C -1.381 174.090 175.510 -0.064 0.000 1.062 101 N CA 1.377 54.354 53.050 -0.123 0.000 0.696 101 N CB -1.494 36.792 38.487 -0.335 0.000 0.946 101 N HN 0.643 9.077 8.380 0.089 0.000 0.548 102 D N -1.066 119.342 120.400 0.012 0.000 2.608 102 D HA 0.045 4.655 4.640 -0.051 0.000 0.224 102 D C -1.710 174.484 176.300 -0.178 0.000 1.123 102 D CA -0.312 53.684 54.000 -0.005 0.000 1.030 102 D CB -0.762 40.135 40.800 0.161 0.000 1.093 102 D HN -0.093 8.302 8.370 0.042 0.000 0.497 103 I N 1.705 122.109 120.570 -0.277 0.000 2.802 103 I HA 0.544 4.781 4.170 -0.146 -0.154 0.298 103 I C -3.060 173.005 176.117 -0.087 0.000 1.176 103 I CA -1.487 59.681 61.300 -0.219 0.000 1.025 103 I CB 4.203 41.941 38.000 -0.437 0.000 1.243 103 I HN -0.157 7.840 8.210 -0.289 0.040 0.424 104 M N 6.290 125.911 119.600 0.035 0.000 2.421 104 M HA 0.678 5.455 4.480 0.222 -0.164 0.287 104 M C -2.738 173.688 176.300 0.210 0.000 1.183 104 M CA -1.019 54.367 55.300 0.143 0.000 0.916 104 M CB 4.806 37.447 32.600 0.067 0.000 1.701 104 M HN 0.481 8.786 8.290 0.026 0.000 0.470 105 L N 3.566 124.954 121.223 0.276 0.000 2.325 105 L HA 0.826 5.493 4.340 0.262 -0.170 0.278 105 L C -1.287 175.776 176.870 0.322 0.000 1.023 105 L CA -1.437 53.582 54.840 0.297 0.000 0.811 105 L CB 2.998 45.208 42.059 0.250 0.000 1.249 105 L HN 0.483 8.901 8.230 0.313 0.000 0.431 106 I N 1.111 121.856 120.570 0.290 0.000 2.436 106 I HA 0.550 4.947 4.170 0.104 -0.165 0.289 106 I C -1.602 174.470 176.117 -0.074 0.000 1.010 106 I CA -1.378 59.990 61.300 0.114 0.000 1.098 106 I CB 3.006 41.041 38.000 0.060 0.000 1.266 106 I HN 0.851 9.254 8.210 0.321 0.000 0.434 107 K N 6.661 126.818 120.400 -0.406 0.000 2.156 107 K HA 0.596 4.255 4.320 -1.341 -0.144 0.271 107 K C -1.112 175.195 176.600 -0.489 0.000 0.995 107 K CA -1.751 53.946 56.287 -0.983 0.000 0.890 107 K CB 2.929 34.659 32.500 -1.284 0.000 1.073 107 K HN 0.674 8.770 8.250 -0.258 0.000 0.454 108 L N 4.633 125.602 121.223 -0.422 0.000 2.418 108 L HA 0.199 4.549 4.340 -0.168 -0.111 0.265 108 L C 1.835 178.586 176.870 -0.199 0.000 1.143 108 L CA 0.054 54.761 54.840 -0.221 0.000 0.809 108 L CB 0.428 42.401 42.059 -0.143 0.000 1.124 108 L HN 0.885 8.684 8.230 -0.540 0.107 0.456 109 K N 2.909 123.233 120.400 -0.127 0.000 2.057 109 K HA -0.312 3.942 4.320 -0.110 0.000 0.207 109 K C -0.607 175.944 176.600 -0.082 0.000 1.049 109 K CA 2.554 58.783 56.287 -0.097 0.000 0.931 109 K CB 0.412 32.874 32.500 -0.063 0.000 0.714 109 K HN 0.461 8.648 8.250 -0.104 0.000 0.440 110 S N -3.112 112.548 115.700 -0.067 0.000 2.632 110 S HA 0.096 4.537 4.470 -0.050 0.000 0.289 110 S C -1.843 172.730 174.600 -0.047 0.000 1.115 110 S CA -0.974 57.198 58.200 -0.048 0.000 0.889 110 S CB 2.817 66.000 63.200 -0.028 0.000 1.116 110 S HN -0.439 7.833 8.310 -0.063 0.000 0.486 111 A N 0.101 122.903 122.820 -0.030 0.000 2.351 111 A HA 0.055 4.502 4.320 -0.027 -0.143 0.257 111 A C -0.568 177.015 177.584 -0.002 0.000 1.087 111 A CA -0.037 51.990 52.037 -0.015 0.000 0.798 111 A CB 0.805 19.806 19.000 0.002 0.000 1.033 111 A HN 0.106 8.241 8.150 -0.024 0.000 0.488 112 A N 0.540 123.367 122.820 0.010 0.000 2.304 112 A HA 0.217 4.608 4.320 0.014 -0.062 0.271 112 A C -0.562 177.035 177.584 0.021 0.000 1.091 112 A CA -1.342 50.707 52.037 0.019 0.000 0.812 112 A CB 1.450 20.470 19.000 0.034 0.000 1.056 112 A HN 0.426 8.475 8.150 0.015 0.109 0.489 113 S N 0.170 115.881 115.700 0.018 0.000 2.430 113 S HA 0.080 4.560 4.470 0.017 0.000 0.289 113 S C -0.513 174.102 174.600 0.025 0.000 1.143 113 S CA -0.501 57.709 58.200 0.017 0.000 1.067 113 S CB 0.450 63.655 63.200 0.008 0.000 0.964 113 S HN -0.050 8.587 8.310 0.016 -0.317 0.485 114 L N 6.015 127.256 121.223 0.030 0.000 2.375 114 L HA 0.199 4.685 4.340 0.043 -0.120 0.271 114 L C -0.462 176.427 176.870 0.031 0.000 1.107 114 L CA -0.205 54.658 54.840 0.038 0.000 0.806 114 L CB 0.658 42.744 42.059 0.045 0.000 1.146 114 L HN 0.211 8.458 8.230 0.028 0.000 0.447 115 N N 2.745 121.465 118.700 0.033 0.000 3.635 115 N HA 0.163 4.918 4.740 0.025 0.000 0.347 115 N C -1.382 174.147 175.510 0.032 0.000 1.596 115 N CA -0.500 52.566 53.050 0.027 0.000 0.778 115 N CB 0.533 39.032 38.487 0.020 0.000 2.436 115 N HN 0.453 8.747 8.380 0.040 0.109 0.569 116 S N -2.818 112.899 115.700 0.027 0.000 2.470 116 S HA -0.080 4.412 4.470 0.036 0.000 0.225 116 S C 0.735 175.352 174.600 0.030 0.000 1.006 116 S CA 1.797 60.015 58.200 0.030 0.000 0.934 116 S CB 0.271 63.486 63.200 0.024 0.000 0.778 116 S HN 0.015 8.338 8.310 0.022 0.000 0.517 117 R N -0.737 119.779 120.500 0.025 0.000 2.210 117 R HA 0.127 4.477 4.340 0.016 0.000 0.203 117 R C -1.038 175.279 176.300 0.028 0.000 1.010 117 R CA 0.253 56.366 56.100 0.022 0.000 1.008 117 R CB 0.877 31.188 30.300 0.019 0.000 0.923 117 R HN -0.136 8.364 8.270 0.023 -0.216 0.469 118 V N -1.629 118.308 119.914 0.038 0.000 2.409 118 V HA 0.234 4.564 4.120 0.052 -0.179 0.290 118 V C -2.197 173.936 176.094 0.066 0.000 1.017 118 V CA -1.041 61.290 62.300 0.051 0.000 0.841 118 V CB 2.435 34.287 31.823 0.048 0.000 1.003 118 V HN -0.197 8.273 8.190 0.036 -0.258 0.426 119 A N 6.485 129.360 122.820 0.093 0.000 2.556 119 A HA 0.491 4.863 4.320 0.087 0.000 0.294 119 A C -2.732 174.944 177.584 0.153 0.000 1.091 119 A CA -1.094 51.009 52.037 0.110 0.000 0.704 119 A CB 3.290 22.358 19.000 0.112 0.000 1.300 119 A HN 0.009 8.109 8.150 0.101 0.110 0.406 120 S N -1.560 114.215 115.700 0.125 0.000 2.693 120 S HA 0.571 5.268 4.470 0.165 -0.128 0.276 120 S C -0.814 173.839 174.600 0.088 0.000 1.192 120 S CA -1.235 57.040 58.200 0.125 0.000 0.994 120 S CB 1.586 64.840 63.200 0.089 0.000 1.012 120 S HN -0.027 8.341 8.310 0.097 0.000 0.550 121 I N 0.603 121.179 120.570 0.011 0.000 2.562 121 I HA 0.225 4.317 4.170 -0.130 0.000 0.301 121 I C -1.246 174.818 176.117 -0.088 0.000 1.003 121 I CA -1.628 59.579 61.300 -0.156 0.000 1.127 121 I CB 3.867 41.545 38.000 -0.536 0.000 1.304 121 I HN 0.391 8.624 8.210 0.039 0.000 0.446 122 S N 6.484 122.132 115.700 -0.086 0.000 2.580 122 S HA 0.196 4.650 4.470 -0.027 0.000 0.274 122 S C -0.625 173.948 174.600 -0.046 0.000 1.329 122 S CA -0.046 58.126 58.200 -0.048 0.000 1.036 122 S CB 0.752 63.929 63.200 -0.039 0.000 0.919 122 S HN 0.256 8.501 8.310 -0.108 0.000 0.515 123 L N 2.826 124.037 121.223 -0.020 0.000 2.418 123 L HA 0.146 4.487 4.340 0.002 0.000 0.265 123 L C -1.308 175.559 176.870 -0.004 0.000 1.143 123 L CA -2.000 52.840 54.840 -0.001 0.000 0.809 123 L CB 0.193 42.260 42.059 0.013 0.000 1.124 123 L HN 0.191 8.412 8.230 -0.016 0.000 0.456 124 P HA 0.134 4.545 4.420 -0.016 0.000 0.279 124 P C -1.232 176.068 177.300 -0.000 0.000 1.252 124 P CA -0.738 62.359 63.100 -0.005 0.000 0.811 124 P CB 0.748 32.445 31.700 -0.005 0.000 1.035 128 c N 0.827 119.403 118.600 -0.041 0.000 2.595 128 c HA 0.049 4.584 4.570 -0.059 0.000 0.384 128 c C 0.119 174.151 174.090 -0.097 0.000 1.289 128 c CA -0.586 55.704 56.329 -0.064 0.000 2.372 128 c CB 0.326 42.802 42.510 -0.056 0.000 2.593 128 c HN -0.028 8.181 8.230 -0.035 0.000 0.639 129 A N 1.382 124.108 122.820 -0.156 0.000 2.279 129 A HA 0.068 4.314 4.320 -0.124 0.000 0.303 129 A C -0.792 176.688 177.584 -0.175 0.000 1.108 129 A CA -0.311 51.622 52.037 -0.172 0.000 0.830 129 A CB 1.100 19.959 19.000 -0.235 0.000 1.106 129 A HN 0.209 8.241 8.150 -0.197 0.000 0.493 133 G N 2.295 111.052 108.800 -0.071 0.000 2.253 133 G HA2 -0.309 3.615 3.960 -0.060 0.000 0.251 133 G HA3 -0.309 3.621 3.960 -0.050 0.000 0.251 133 G C 0.297 175.155 174.900 -0.070 0.000 0.998 133 G CA -0.050 45.013 45.100 -0.062 0.000 0.621 133 G HN 0.817 8.950 8.290 -0.075 0.112 0.524 134 T N 3.381 117.881 114.554 -0.090 0.000 2.934 134 T HA -0.207 4.102 4.350 -0.069 0.000 0.306 134 T C -1.100 173.550 174.700 -0.083 0.000 1.042 134 T CA 2.480 64.526 62.100 -0.089 0.000 1.145 134 T CB 0.721 69.515 68.868 -0.123 0.000 0.982 134 T HN -0.418 7.680 8.240 -0.106 0.079 0.544 135 Q N 5.697 125.464 119.800 -0.056 0.000 2.256 135 Q HA 0.187 4.610 4.340 -0.049 -0.112 0.254 135 Q C -0.878 175.101 176.000 -0.035 0.000 0.916 135 Q CA 0.132 55.912 55.803 -0.037 0.000 0.932 135 Q CB 1.439 30.171 28.738 -0.009 0.000 1.207 135 Q HN 0.205 8.447 8.270 -0.047 0.000 0.426 136 c N 3.560 122.140 118.600 -0.033 0.000 2.848 136 c HA 0.621 5.296 4.570 -0.019 -0.117 0.317 136 c C -1.789 172.305 174.090 0.008 0.000 1.260 136 c CA -1.593 54.721 56.329 -0.025 0.000 1.656 136 c CB 4.179 46.654 42.510 -0.058 0.000 2.174 136 c HN 0.750 8.958 8.230 -0.037 0.000 0.479 137 L N 0.928 122.165 121.223 0.023 0.000 2.313 137 L HA 0.824 5.362 4.340 0.053 -0.166 0.283 137 L C -2.196 174.690 176.870 0.027 0.000 1.013 137 L CA -1.288 53.580 54.840 0.046 0.000 0.816 137 L CB 3.070 45.178 42.059 0.081 0.000 1.236 137 L HN 0.571 8.707 8.230 0.018 0.106 0.419 138 I N 7.331 127.902 120.570 0.001 0.000 2.530 138 I HA 0.891 5.305 4.170 0.020 -0.233 0.297 138 I C -1.262 174.827 176.117 -0.048 0.000 1.011 138 I CA -1.552 59.746 61.300 -0.003 0.000 1.107 138 I CB 2.712 40.714 38.000 0.002 0.000 1.285 138 I HN 0.776 8.987 8.210 0.002 0.000 0.436 139 S N 1.992 117.656 115.700 -0.060 0.000 2.618 139 S HA 1.026 5.520 4.470 -0.223 -0.158 0.277 139 S C -1.195 173.287 174.600 -0.198 0.000 1.138 139 S CA -1.721 56.368 58.200 -0.185 0.000 0.844 139 S CB 3.729 66.782 63.200 -0.246 0.000 1.127 139 S HN -0.191 8.115 8.310 -0.007 0.000 0.474 140 G N -1.511 107.075 108.800 -0.358 0.000 2.321 140 G HA2 0.124 3.834 3.960 -0.416 0.000 0.298 140 G HA3 0.124 4.178 3.960 -0.064 -0.132 0.298 140 G C -2.348 172.321 174.900 -0.385 0.000 1.385 140 G CA 0.521 45.434 45.100 -0.311 0.000 0.856 140 G HN 0.257 8.272 8.290 -0.459 0.000 0.584 141 W N 1.229 122.471 121.300 -0.097 0.000 3.015 141 W HA 0.373 4.978 4.660 -0.092 0.000 0.429 141 W C -0.259 176.285 176.519 0.041 0.000 0.976 141 W CA -1.015 56.241 57.345 -0.148 0.000 2.086 141 W CB 0.055 29.229 29.460 -0.477 0.000 1.125 141 W HN 0.593 8.933 8.180 0.266 0.000 0.721 142 G N 0.779 109.741 108.800 0.270 0.000 2.621 142 G HA2 -0.043 4.255 3.960 0.530 0.000 0.271 142 G HA3 -0.043 4.233 3.960 0.260 -0.161 0.271 142 G C -0.940 174.041 174.900 0.135 0.000 1.236 142 G CA -0.820 44.473 45.100 0.320 0.000 0.958 142 G HN -0.451 8.081 8.290 0.160 -0.146 0.512 143 N N -0.217 118.464 118.700 -0.033 0.000 2.293 143 N HA -0.330 4.100 4.740 -0.794 -0.166 0.253 143 N C 0.849 176.258 175.510 -0.167 0.000 1.248 143 N CA 1.213 54.029 53.050 -0.390 0.000 0.845 143 N CB 0.550 38.818 38.487 -0.366 0.000 1.073 143 N HN 0.109 8.576 8.380 0.145 0.000 0.464 144 T N 0.623 115.075 114.554 -0.170 0.000 3.069 144 T HA 0.181 4.628 4.350 -0.057 -0.131 0.252 144 T C 0.194 174.852 174.700 -0.070 0.000 1.053 144 T CA 0.423 62.474 62.100 -0.082 0.000 0.964 144 T CB 1.250 70.084 68.868 -0.057 0.000 1.005 144 T HN 0.423 8.518 8.240 -0.242 0.000 0.532 145 K N 2.269 122.615 120.400 -0.091 0.000 2.259 145 K HA 0.281 4.579 4.320 -0.037 0.000 0.252 145 K C -0.506 176.072 176.600 -0.038 0.000 0.936 145 K CA -1.174 55.080 56.287 -0.055 0.000 0.810 145 K CB 2.592 35.058 32.500 -0.057 0.000 1.143 145 K HN -0.456 7.992 8.250 -0.142 -0.283 0.427 146 S N 0.386 116.076 115.700 -0.016 0.000 2.446 146 S HA -0.097 4.376 4.470 0.005 0.000 0.225 146 S C 0.005 174.608 174.600 0.004 0.000 1.016 146 S CA 1.823 60.024 58.200 0.001 0.000 0.943 146 S CB 0.814 64.020 63.200 0.010 0.000 0.786 146 S HN 0.116 8.418 8.310 -0.013 0.000 0.508 147 S N 1.762 117.461 115.700 -0.002 0.000 2.328 147 S HA 0.194 4.669 4.470 0.009 0.000 0.204 147 S C -0.840 173.758 174.600 -0.003 0.000 1.475 147 S CA -0.197 58.005 58.200 0.003 0.000 1.148 147 S CB -0.416 62.787 63.200 0.005 0.000 1.077 147 S HN -0.461 7.821 8.310 -0.007 0.024 0.479 148 G N 1.343 110.140 108.800 -0.004 0.000 2.355 148 G HA2 -0.177 3.787 3.960 0.007 0.000 0.619 148 G HA3 -0.177 3.778 3.960 -0.008 0.000 0.619 148 G C -2.733 172.147 174.900 -0.033 0.000 1.337 148 G CA -0.687 44.409 45.100 -0.007 0.000 0.993 148 G HN -0.358 7.932 8.290 -0.001 0.000 0.599 149 T N -3.556 110.979 114.554 -0.032 0.000 2.791 149 T HA 0.041 4.435 4.350 -0.216 -0.174 0.288 149 T C -1.503 173.113 174.700 -0.141 0.000 0.999 149 T CA -0.946 61.087 62.100 -0.111 0.000 0.952 149 T CB 1.669 70.567 68.868 0.049 0.000 0.938 149 T HN -0.097 8.143 8.240 -0.000 0.000 0.444 150 S N 5.743 121.279 115.700 -0.273 0.000 2.756 150 S HA 0.324 4.782 4.470 -0.021 0.000 0.303 150 S C -2.060 172.386 174.600 -0.256 0.000 1.135 150 S CA -1.067 57.054 58.200 -0.131 0.000 1.066 150 S CB 1.797 64.954 63.200 -0.072 0.000 1.008 150 S HN 0.821 9.304 8.310 -0.397 -0.411 0.482 151 Y N 7.305 127.643 120.300 0.063 0.000 2.330 151 Y HA 0.284 4.889 4.550 0.092 0.000 0.336 151 Y C -1.379 174.570 175.900 0.081 0.000 1.036 151 Y CA -2.501 55.649 58.100 0.084 0.000 1.125 151 Y CB 0.881 39.400 38.460 0.098 0.000 1.194 151 Y HN 0.273 8.683 8.280 0.216 0.000 0.469 152 P HA 0.250 4.747 4.420 0.127 0.000 0.278 152 P C -1.565 175.863 177.300 0.214 0.000 1.266 152 P CA -1.069 62.133 63.100 0.170 0.000 0.807 152 P CB 1.837 33.610 31.700 0.121 0.000 1.094 153 D N -2.572 117.931 120.400 0.171 0.000 2.259 153 D HA -0.019 4.687 4.640 0.111 0.000 0.216 153 D C -0.630 175.823 176.300 0.254 0.000 0.961 153 D CA 1.766 55.856 54.000 0.150 0.000 0.878 153 D CB 0.857 41.714 40.800 0.096 0.000 1.009 153 D HN 0.391 8.842 8.370 0.136 0.000 0.490 154 V N -7.628 112.431 119.914 0.242 0.000 2.966 154 V HA 0.560 5.085 4.120 0.419 -0.154 0.317 154 V C -0.627 175.534 176.094 0.112 0.000 1.070 154 V CA -2.661 59.798 62.300 0.265 0.000 1.008 154 V CB 1.805 33.699 31.823 0.118 0.000 1.070 154 V HN -0.907 7.382 8.190 0.165 0.000 0.457 155 L N 1.775 122.925 121.223 -0.122 0.000 2.455 155 L HA -0.060 3.419 4.340 -1.435 0.000 0.272 155 L C -0.314 176.287 176.870 -0.448 0.000 1.174 155 L CA 0.828 55.224 54.840 -0.739 0.000 0.869 155 L CB 0.537 42.157 42.059 -0.732 0.000 1.130 155 L HN -0.118 8.343 8.230 0.090 -0.177 0.474 156 K N 5.849 125.965 120.400 -0.473 0.000 2.156 156 K HA 0.627 4.900 4.320 -0.331 -0.152 0.254 156 K C -1.190 175.152 176.600 -0.429 0.000 0.950 156 K CA -2.529 53.543 56.287 -0.359 0.000 0.849 156 K CB 2.337 34.694 32.500 -0.239 0.000 1.100 156 K HN -0.153 7.737 8.250 -0.600 0.000 0.434 157 c N -0.233 118.014 118.600 -0.590 0.000 2.634 157 c HA 0.921 5.420 4.570 -0.405 -0.172 0.313 157 c C -1.827 171.881 174.090 -0.637 0.000 1.198 157 c CA -0.669 55.258 56.329 -0.670 0.000 1.605 157 c CB 3.390 45.354 42.510 -0.911 0.000 2.196 157 c HN 0.805 8.511 8.230 -0.696 0.106 0.486 158 L N 0.763 121.832 121.223 -0.255 0.000 2.493 158 L HA 0.401 4.777 4.340 0.061 0.000 0.265 158 L C -2.428 174.508 176.870 0.110 0.000 0.954 158 L CA -0.023 54.813 54.840 -0.005 0.000 0.844 158 L CB 4.456 46.534 42.059 0.033 0.000 1.302 158 L HN 0.735 8.854 8.230 -0.185 0.000 0.405 159 K N 6.054 126.585 120.400 0.220 0.000 2.183 159 K HA 0.807 5.400 4.320 0.126 -0.198 0.274 159 K C -0.974 175.750 176.600 0.207 0.000 1.009 159 K CA -1.391 55.005 56.287 0.182 0.000 0.888 159 K CB 1.181 33.795 32.500 0.190 0.000 1.078 159 K HN 0.341 8.760 8.250 0.281 0.000 0.459 160 A N 3.983 126.858 122.820 0.092 0.000 2.549 160 A HA 0.659 4.952 4.320 -0.046 0.000 0.297 160 A C -3.411 174.094 177.584 -0.131 0.000 1.061 160 A CA -2.616 49.399 52.037 -0.036 0.000 0.690 160 A CB 3.105 22.084 19.000 -0.036 0.000 1.287 160 A HN 0.878 9.055 8.150 0.045 0.000 0.402 161 P HA 0.768 5.330 4.420 -0.113 -0.210 0.285 161 P C -1.094 176.127 177.300 -0.132 0.000 1.269 161 P CA -1.542 61.463 63.100 -0.159 0.000 0.844 161 P CB 1.655 33.261 31.700 -0.157 0.000 1.094 162 I N -0.033 120.474 120.570 -0.105 0.000 2.474 162 I HA -0.018 4.287 4.170 0.038 -0.111 0.287 162 I C 0.107 176.201 176.117 -0.039 0.000 1.048 162 I CA 0.384 61.645 61.300 -0.065 0.000 1.383 162 I CB 0.408 38.278 38.000 -0.217 0.000 1.412 162 I HN -0.041 8.099 8.210 -0.117 0.000 0.531 163 L N 6.486 127.724 121.223 0.025 0.000 2.431 163 L HA 0.277 4.605 4.340 -0.021 0.000 0.260 163 L C -0.075 176.809 176.870 0.023 0.000 1.098 163 L CA -1.022 53.825 54.840 0.012 0.000 0.800 163 L CB 0.691 42.769 42.059 0.030 0.000 1.210 163 L HN 0.379 8.561 8.230 0.103 0.110 0.465 164 S N -1.702 114.006 115.700 0.013 0.000 2.600 164 S HA -0.096 4.378 4.470 0.006 0.000 0.265 164 S C 0.391 175.015 174.600 0.040 0.000 1.325 164 S CA -0.874 57.335 58.200 0.016 0.000 1.002 164 S CB 1.793 64.997 63.200 0.007 0.000 0.921 164 S HN -0.071 8.242 8.310 0.006 0.000 0.554 165 D N 1.269 121.693 120.400 0.041 0.000 2.178 165 D HA -0.203 4.485 4.640 0.080 0.000 0.202 165 D C 1.495 177.826 176.300 0.052 0.000 0.974 165 D CA 3.481 57.516 54.000 0.058 0.000 0.841 165 D CB -0.420 40.410 40.800 0.049 0.000 0.953 165 D HN 0.587 8.974 8.370 0.027 0.000 0.478 166 S N -0.912 114.810 115.700 0.036 0.000 2.368 166 S HA -0.272 4.219 4.470 0.035 0.000 0.224 166 S C 2.101 176.719 174.600 0.031 0.000 1.029 166 S CA 3.258 61.477 58.200 0.031 0.000 0.988 166 S CB -0.732 62.480 63.200 0.020 0.000 0.838 166 S HN 0.015 8.326 8.310 0.028 0.016 0.462 167 S N 3.823 119.539 115.700 0.027 0.000 2.383 167 S HA -0.248 4.228 4.470 0.010 0.000 0.227 167 S C 1.834 176.455 174.600 0.034 0.000 1.026 167 S CA 4.010 62.222 58.200 0.020 0.000 0.981 167 S CB -0.140 63.068 63.200 0.014 0.000 0.818 167 S HN -0.552 7.774 8.310 0.026 0.000 0.472 168 c N 3.349 121.987 118.600 0.064 0.000 2.462 168 c HA -0.294 4.349 4.570 0.122 0.000 0.278 168 c C 1.664 175.836 174.090 0.136 0.000 1.253 168 c CA 2.653 59.050 56.329 0.113 0.000 1.713 168 c CB -1.704 40.882 42.510 0.126 0.000 2.049 168 c HN -0.190 7.991 8.230 0.062 0.086 0.477 169 K N -1.076 119.389 120.400 0.108 0.000 2.211 169 K HA -0.319 4.094 4.320 0.155 0.000 0.203 169 K C 2.356 179.002 176.600 0.076 0.000 1.050 169 K CA 2.934 59.287 56.287 0.109 0.000 0.945 169 K CB -0.289 32.261 32.500 0.082 0.000 0.732 169 K HN 0.072 8.375 8.250 0.088 0.000 0.451 170 S N -1.159 114.565 115.700 0.039 0.000 2.387 170 S HA -0.185 4.294 4.470 0.015 0.000 0.226 170 S C 1.435 176.013 174.600 -0.037 0.000 1.026 170 S CA 2.710 60.914 58.200 0.007 0.000 0.972 170 S CB 0.008 63.207 63.200 -0.002 0.000 0.814 170 S HN -0.415 7.807 8.310 0.040 0.112 0.477 171 A N -0.054 122.717 122.820 -0.082 0.000 1.929 171 A HA -0.109 4.059 4.320 -0.253 0.000 0.216 171 A C -0.192 177.128 177.584 -0.440 0.000 1.176 171 A CA 2.061 53.920 52.037 -0.296 0.000 0.628 171 A CB 0.839 19.605 19.000 -0.390 0.000 0.816 171 A HN -0.574 7.452 8.150 -0.031 0.105 0.444 172 Y N -5.728 114.607 120.300 0.059 0.000 2.495 172 Y HA 0.468 5.087 4.550 0.116 0.000 0.362 172 Y C -2.417 173.544 175.900 0.101 0.000 0.956 172 Y CA -3.583 54.584 58.100 0.111 0.000 1.127 172 Y CB -0.290 38.275 38.460 0.175 0.000 1.173 172 Y HN -0.490 7.849 8.280 0.099 0.000 0.639 173 P HA -0.123 4.488 4.420 0.108 -0.126 0.262 173 P C 0.898 178.269 177.300 0.118 0.000 1.182 173 P CA 1.225 64.393 63.100 0.113 0.000 0.761 173 P CB 0.084 31.823 31.700 0.065 0.000 0.795 174 G N 3.776 112.635 108.800 0.098 0.000 2.189 174 G HA2 -0.365 3.631 3.960 0.060 0.000 0.267 174 G HA3 -0.365 3.629 3.960 0.057 0.000 0.267 174 G C 0.125 175.077 174.900 0.085 0.000 0.975 174 G CA 0.688 45.833 45.100 0.074 0.000 0.644 174 G HN 0.509 8.855 8.290 0.092 0.000 0.537 175 Q N -2.384 117.503 119.800 0.146 0.000 2.189 175 Q HA 0.093 4.463 4.340 0.052 0.000 0.223 175 Q C -0.699 175.428 176.000 0.211 0.000 0.828 175 Q CA -0.529 55.360 55.803 0.143 0.000 0.967 175 Q CB 1.423 30.278 28.738 0.194 0.000 1.139 175 Q HN -0.241 8.077 8.270 0.192 0.067 0.497 176 I N 0.197 120.885 120.570 0.196 0.000 2.321 176 I HA 0.064 4.371 4.170 0.228 0.000 0.291 176 I C -0.138 176.053 176.117 0.123 0.000 0.998 176 I CA -2.194 59.214 61.300 0.181 0.000 1.227 176 I CB -0.832 37.267 38.000 0.164 0.000 1.368 176 I HN -0.397 7.917 8.210 0.173 0.000 0.466 177 T N 2.739 117.362 114.554 0.114 0.000 2.910 177 T HA 0.343 4.730 4.350 0.063 0.000 0.279 177 T C 0.787 175.533 174.700 0.078 0.000 0.989 177 T CA -2.074 60.072 62.100 0.077 0.000 0.968 177 T CB 2.383 71.288 68.868 0.061 0.000 1.135 177 T HN -0.369 7.955 8.240 0.140 0.000 0.562 178 S N -1.912 113.820 115.700 0.054 0.000 2.547 178 S HA -0.170 4.336 4.470 0.061 0.000 0.235 178 S C 0.249 174.885 174.600 0.061 0.000 0.980 178 S CA 1.880 60.109 58.200 0.049 0.000 0.941 178 S CB -0.209 63.002 63.200 0.017 0.000 0.763 178 S HN 0.255 8.587 8.310 0.037 0.000 0.532 179 N N -0.209 118.538 118.700 0.078 0.000 2.276 179 N HA 0.163 4.958 4.740 0.092 0.000 0.212 179 N C -1.763 173.857 175.510 0.184 0.000 1.127 179 N CA 0.019 53.145 53.050 0.126 0.000 0.834 179 N CB 0.795 39.378 38.487 0.160 0.000 1.014 179 N HN -0.669 7.677 8.380 0.075 0.079 0.491 180 M N -1.334 118.362 119.600 0.159 0.000 2.619 180 M HA 0.874 5.620 4.480 0.082 -0.216 0.297 180 M C -2.324 174.084 176.300 0.180 0.000 1.229 180 M CA -0.418 54.954 55.300 0.120 0.000 0.860 180 M CB 5.150 37.804 32.600 0.089 0.000 1.741 180 M HN -0.719 7.563 8.290 0.142 0.092 0.462 181 F N -6.025 113.971 119.950 0.077 0.000 2.662 181 F HA 0.603 5.160 4.527 0.050 0.000 0.312 181 F C -2.903 172.948 175.800 0.086 0.000 1.113 181 F CA -1.724 56.317 58.000 0.067 0.000 0.951 181 F CB 2.342 41.376 39.000 0.057 0.000 1.344 181 F HN 0.124 8.279 8.300 -0.242 0.000 0.462 182 c N -0.436 118.339 118.600 0.291 0.000 2.391 182 c HA 0.982 5.808 4.570 0.099 -0.197 0.339 182 c C -1.185 173.096 174.090 0.319 0.000 1.205 182 c CA -1.155 55.293 56.329 0.198 0.000 1.937 182 c CB 2.889 45.479 42.510 0.134 0.000 2.341 182 c HN 0.934 9.369 8.230 0.341 0.000 0.516 183 A N 3.056 126.040 122.820 0.273 0.000 2.530 183 A HA 0.691 5.207 4.320 0.075 -0.150 0.279 183 A C -2.308 175.315 177.584 0.064 0.000 1.109 183 A CA -0.449 51.661 52.037 0.122 0.000 0.763 183 A CB 2.622 21.604 19.000 -0.031 0.000 1.257 183 A HN 0.419 8.764 8.150 0.325 0.000 0.424 184 Y N 2.667 123.000 120.300 0.054 0.000 2.350 184 Y HA 0.079 4.648 4.550 0.033 0.000 0.340 184 Y C 0.994 176.911 175.900 0.028 0.000 1.006 184 Y CA -0.189 57.933 58.100 0.036 0.000 1.166 184 Y CB 0.718 39.198 38.460 0.032 0.000 1.168 184 Y HN 0.190 8.610 8.280 0.235 0.000 0.502 185 L N 3.900 125.200 121.223 0.127 0.000 2.376 185 L HA -0.269 4.104 4.340 0.055 0.000 0.219 185 L C 1.037 177.953 176.870 0.076 0.000 1.133 185 L CA 2.032 56.915 54.840 0.072 0.000 0.816 185 L CB -0.394 41.687 42.059 0.036 0.000 0.933 185 L HN 0.532 8.822 8.230 0.101 0.000 0.449 186 E N -1.971 118.292 120.200 0.104 0.000 2.427 186 E HA -0.114 4.263 4.350 0.045 0.000 0.196 186 E C 0.735 177.368 176.600 0.056 0.000 1.028 186 E CA 0.205 56.644 56.400 0.065 0.000 0.864 186 E CB -0.432 29.303 29.700 0.058 0.000 0.813 186 E HN 0.085 8.497 8.360 0.155 0.041 0.514 187 G N 0.845 109.695 108.800 0.082 0.000 3.292 187 G HA2 -0.374 3.633 3.960 0.078 0.000 0.636 187 G HA3 -0.374 3.610 3.960 0.040 0.000 0.636 187 G C -0.842 174.077 174.900 0.032 0.000 1.069 187 G CA -0.168 44.968 45.100 0.060 0.000 0.890 187 G HN -0.595 7.612 8.290 0.128 0.159 0.427 188 K N 1.222 121.619 120.400 -0.005 0.000 6.999 188 K HA -0.602 3.974 4.320 0.007 -0.252 0.712 188 K C -1.367 175.327 176.600 0.156 0.000 2.465 188 K CA 0.449 56.750 56.287 0.023 0.000 1.780 188 K CB -0.121 32.295 32.500 -0.140 0.000 1.897 188 K HN 0.144 8.417 8.250 0.037 0.000 0.299 189 D N 0.575 121.052 120.400 0.127 0.000 2.764 189 D HA 0.305 5.067 4.640 0.203 0.000 0.293 189 D C -1.905 174.466 176.300 0.118 0.000 1.287 189 D CA -0.647 53.443 54.000 0.150 0.000 0.768 189 D CB 4.412 45.283 40.800 0.118 0.000 1.288 189 D HN 0.173 8.593 8.370 0.084 0.000 0.426 190 S N -1.645 114.138 115.700 0.138 0.000 2.707 190 S HA 0.346 4.928 4.470 0.092 -0.057 0.276 190 S C -1.370 173.278 174.600 0.081 0.000 1.179 190 S CA -0.582 57.689 58.200 0.118 0.000 0.992 190 S CB 1.772 65.082 63.200 0.184 0.000 1.030 190 S HN 0.267 8.677 8.310 0.167 0.000 0.554 191 c N -1.626 117.025 118.600 0.084 0.000 3.316 191 c HA 0.255 4.867 4.570 0.070 0.000 0.360 191 c C -1.570 172.598 174.090 0.130 0.000 1.560 191 c CA -0.679 55.699 56.329 0.082 0.000 1.229 191 c CB 2.998 45.538 42.510 0.050 0.000 1.823 191 c HN 0.328 8.931 8.230 0.099 -0.313 0.440 192 Q N 1.977 121.865 119.800 0.147 0.000 2.283 192 Q HA -0.321 4.146 4.340 0.212 0.000 0.301 192 Q C 0.703 176.892 176.000 0.315 0.000 1.063 192 Q CA 2.172 58.106 55.803 0.220 0.000 0.952 192 Q CB 0.525 29.392 28.738 0.217 0.000 1.166 192 Q HN 0.616 8.954 8.270 0.114 0.000 0.381 193 G N 6.724 115.720 108.800 0.326 0.000 2.259 193 G HA2 -0.398 3.770 3.960 0.347 0.000 0.217 193 G HA3 -0.398 3.887 3.960 0.542 0.000 0.217 193 G C 0.670 175.808 174.900 0.396 0.000 1.001 193 G CA 1.042 46.391 45.100 0.414 0.000 0.627 193 G HN 0.768 9.228 8.290 0.284 0.000 0.501 194 D N 1.685 122.251 120.400 0.277 0.000 2.327 194 D HA 0.096 4.883 4.640 0.245 0.000 0.205 194 D C 0.174 176.582 176.300 0.179 0.000 0.989 194 D CA 0.957 55.087 54.000 0.216 0.000 0.873 194 D CB 0.720 41.612 40.800 0.153 0.000 0.955 194 D HN 0.150 8.572 8.370 0.248 0.097 0.515 195 S N -0.379 115.430 115.700 0.181 0.000 2.571 195 S HA -0.609 4.096 4.470 0.156 -0.141 0.298 195 S C 0.973 175.594 174.600 0.034 0.000 1.280 195 S CA 2.690 60.976 58.200 0.144 0.000 1.052 195 S CB 0.171 63.513 63.200 0.237 0.000 0.799 195 S HN -0.470 7.938 8.310 0.213 0.030 0.501 196 G N 4.209 113.006 108.800 -0.004 0.000 2.253 196 G HA2 -0.472 3.536 3.960 -0.042 0.000 0.251 196 G HA3 -0.472 3.558 3.960 -0.064 -0.108 0.251 196 G C -0.229 174.702 174.900 0.051 0.000 0.998 196 G CA 0.243 45.329 45.100 -0.023 0.000 0.621 196 G HN 0.660 8.964 8.290 0.023 0.000 0.524 197 G N 0.734 109.590 108.800 0.094 0.000 2.588 197 G HA2 0.401 4.503 3.960 0.121 0.000 0.281 197 G HA3 0.401 4.434 3.960 0.122 0.000 0.281 197 G C -2.715 172.268 174.900 0.138 0.000 1.236 197 G CA -2.054 43.118 45.100 0.121 0.000 0.969 197 G HN -0.378 7.880 8.290 0.102 0.094 0.504 198 P HA 0.347 4.969 4.420 0.136 -0.120 0.286 198 P C -1.651 175.720 177.300 0.119 0.000 1.261 198 P CA -0.928 62.266 63.100 0.157 0.000 0.821 198 P CB 1.585 33.441 31.700 0.260 0.000 1.013 199 V N 2.984 122.949 119.914 0.084 0.000 2.380 199 V HA 0.273 4.552 4.120 -0.002 -0.160 0.286 199 V C -1.285 174.825 176.094 0.027 0.000 1.015 199 V CA -0.496 61.818 62.300 0.023 0.000 0.834 199 V CB 1.595 33.414 31.823 -0.006 0.000 1.009 199 V HN -0.168 8.077 8.190 0.092 0.000 0.428 200 V N 8.074 127.995 119.914 0.011 0.000 2.417 200 V HA 0.582 4.852 4.120 -0.061 -0.187 0.291 200 V C -1.290 174.786 176.094 -0.029 0.000 1.024 200 V CA -1.171 61.108 62.300 -0.035 0.000 0.861 200 V CB 2.636 34.425 31.823 -0.057 0.000 0.985 200 V HN 0.500 8.710 8.190 0.034 0.000 0.436 201 c N 7.476 126.046 118.600 -0.050 0.000 2.441 201 c HA 0.564 5.112 4.570 -0.036 0.000 0.318 201 c C 0.217 174.278 174.090 -0.048 0.000 1.222 201 c CA -1.239 55.059 56.329 -0.052 0.000 1.474 201 c CB 2.139 44.599 42.510 -0.083 0.000 2.125 201 c HN 0.605 8.798 8.230 -0.061 0.000 0.479 202 S N 5.400 121.079 115.700 -0.034 0.000 3.549 202 S HA -0.347 4.112 4.470 -0.018 0.000 0.366 202 S C 0.318 174.899 174.600 -0.032 0.000 1.012 202 S CA 1.024 59.207 58.200 -0.028 0.000 1.141 202 S CB -1.182 61.998 63.200 -0.035 0.000 0.910 202 S HN 1.140 9.435 8.310 -0.025 0.000 0.471 203 G N -5.278 103.501 108.800 -0.035 0.000 2.155 203 G HA2 -0.362 3.565 3.960 -0.054 0.000 0.257 203 G HA3 -0.362 3.578 3.960 -0.034 0.000 0.257 203 G C -0.758 174.090 174.900 -0.085 0.000 0.983 203 G CA 0.495 45.564 45.100 -0.052 0.000 0.676 203 G HN 0.307 8.572 8.290 -0.026 0.010 0.528 210 Q N 1.097 120.920 119.800 0.038 0.000 2.392 210 Q HA 0.202 4.583 4.340 0.069 0.000 0.219 210 Q C -0.258 175.908 176.000 0.277 0.000 0.895 210 Q CA 0.112 55.962 55.803 0.078 0.000 0.929 210 Q CB 2.670 31.374 28.738 -0.057 0.000 1.077 210 Q HN 0.366 8.649 8.270 0.022 0.000 0.532 211 G N -2.991 105.982 108.800 0.289 0.000 2.695 211 G HA2 0.600 5.036 3.960 0.387 0.000 0.290 211 G HA3 0.600 4.814 3.960 0.424 0.000 0.290 211 G C -3.305 171.715 174.900 0.200 0.000 1.410 211 G CA -0.573 44.734 45.100 0.344 0.000 0.844 211 G HN -0.349 8.048 8.290 0.179 0.000 0.478 212 I N -1.139 119.543 120.570 0.186 0.000 2.498 212 I HA 0.558 5.034 4.170 0.155 -0.213 0.290 212 I C -0.425 175.818 176.117 0.212 0.000 1.032 212 I CA -1.415 59.979 61.300 0.156 0.000 1.073 212 I CB 4.203 42.253 38.000 0.084 0.000 1.251 212 I HN -0.415 7.895 8.210 0.166 0.000 0.426 213 V N 7.247 127.300 119.914 0.232 0.000 2.493 213 V HA -0.232 3.934 4.120 0.077 0.000 0.292 213 V C -1.177 174.928 176.094 0.018 0.000 1.016 213 V CA 2.214 64.598 62.300 0.139 0.000 1.097 213 V CB -1.038 30.892 31.823 0.178 0.000 0.947 213 V HN 0.322 8.633 8.190 0.202 0.000 0.479 214 S N 7.626 123.238 115.700 -0.145 0.000 3.334 214 S HA 0.310 4.971 4.470 0.318 0.000 0.224 214 S C -0.903 173.795 174.600 0.162 0.000 0.959 214 S CA 0.914 59.183 58.200 0.114 0.000 0.815 214 S CB 2.408 65.673 63.200 0.108 0.000 0.861 214 S HN -0.005 7.992 8.310 -0.522 0.000 0.596 215 W N -4.141 116.998 121.300 -0.267 0.000 2.940 215 W HA 0.272 4.823 4.660 -0.182 0.000 0.394 215 W C -2.863 173.487 176.519 -0.281 0.000 1.155 215 W CA -0.805 56.395 57.345 -0.243 0.000 1.165 215 W CB 0.678 29.995 29.460 -0.238 0.000 1.492 215 W HN -0.364 7.487 8.180 -0.548 0.000 0.593 216 G N -3.176 105.652 108.800 0.047 0.000 2.356 216 G HA2 0.083 3.733 3.960 -0.516 0.000 0.294 216 G HA3 0.083 3.965 3.960 -0.130 0.000 0.294 216 G C -2.318 172.704 174.900 0.203 0.000 1.423 216 G CA 0.278 45.309 45.100 -0.115 0.000 0.806 216 G HN -0.048 8.465 8.290 0.372 0.000 0.527 220 c N 1.979 120.614 118.600 0.059 0.000 3.370 220 c HA 0.307 5.056 4.570 0.060 -0.143 0.190 220 c C -1.564 172.556 174.090 0.050 0.000 1.647 220 c CA -0.773 55.589 56.329 0.054 0.000 1.277 220 c CB -1.256 41.279 42.510 0.043 0.000 2.037 220 c HN 0.332 8.593 8.230 0.051 0.000 0.537 221 Q N -1.947 117.885 119.800 0.053 0.000 2.889 221 Q HA 0.080 4.439 4.340 0.032 0.000 0.262 221 Q C -1.830 174.191 176.000 0.035 0.000 0.966 221 Q CA -0.516 55.311 55.803 0.039 0.000 0.858 221 Q CB 2.099 30.861 28.738 0.040 0.000 1.845 221 Q HN 0.091 8.398 8.270 0.063 0.000 0.464 222 K N 2.649 123.063 120.400 0.024 0.000 2.436 222 K HA -0.376 4.158 4.320 0.032 -0.195 0.275 222 K C 0.494 177.093 176.600 -0.003 0.000 0.999 222 K CA 1.669 57.967 56.287 0.018 0.000 0.980 222 K CB 0.103 32.610 32.500 0.012 0.000 0.919 222 K HN 0.201 8.463 8.250 0.020 0.000 0.484 223 N N 1.800 120.495 118.700 -0.008 0.000 2.713 223 N HA -0.481 4.235 4.740 -0.041 0.000 0.251 223 N C -1.657 173.781 175.510 -0.120 0.000 1.117 223 N CA 1.813 54.831 53.050 -0.053 0.000 0.770 223 N CB -0.456 37.994 38.487 -0.061 0.000 1.137 223 N HN 0.779 9.040 8.380 0.013 0.127 0.566 224 K N -2.611 117.746 120.400 -0.071 0.000 2.842 224 K HA 0.542 4.653 4.320 -0.348 0.000 0.176 224 K C -2.382 174.265 176.600 0.078 0.000 1.080 224 K CA -3.485 52.752 56.287 -0.083 0.000 0.954 224 K CB -0.067 32.439 32.500 0.010 0.000 1.203 224 K HN -0.775 7.415 8.250 -0.011 0.053 0.611 225 P HA -0.060 4.426 4.420 0.109 0.000 0.273 225 P C -0.408 176.944 177.300 0.087 0.000 1.250 225 P CA -0.376 62.795 63.100 0.119 0.000 0.793 225 P CB 1.070 32.830 31.700 0.099 0.000 1.011 226 G N -2.097 106.729 108.800 0.043 0.000 2.503 226 G HA2 0.284 4.052 3.960 -0.320 0.000 0.257 226 G HA3 0.284 4.149 3.960 -0.159 0.000 0.257 226 G C -1.803 172.815 174.900 -0.470 0.000 1.214 226 G CA -0.603 44.360 45.100 -0.229 0.000 0.839 226 G HN -0.363 8.009 8.290 0.138 0.000 0.559 227 V N 1.902 121.194 119.914 -1.036 0.000 2.555 227 V HA 0.677 4.590 4.120 -0.625 -0.169 0.302 227 V C -0.846 174.491 176.094 -1.262 0.000 1.038 227 V CA -1.068 60.584 62.300 -1.081 0.000 0.887 227 V CB 2.370 33.134 31.823 -1.765 0.000 0.991 227 V HN 0.500 8.023 8.190 -1.113 0.000 0.434 228 Y N 4.526 124.431 120.300 -0.659 0.000 2.499 228 Y HA 0.526 4.986 4.550 -0.371 -0.132 0.347 228 Y C 0.207 175.819 175.900 -0.481 0.000 0.987 228 Y CA -2.162 55.557 58.100 -0.635 0.000 1.044 228 Y CB 3.956 41.771 38.460 -1.075 0.000 1.245 228 Y HN 0.946 8.878 8.280 -0.579 0.000 0.461 229 T N 4.883 119.396 114.554 -0.069 0.000 2.851 229 T HA 0.011 4.561 4.350 0.093 -0.143 0.298 229 T C -0.681 174.137 174.700 0.197 0.000 0.977 229 T CA 1.490 63.632 62.100 0.070 0.000 1.126 229 T CB 0.483 69.380 68.868 0.048 0.000 0.916 229 T HN 0.444 8.675 8.240 -0.016 0.000 0.529 230 K N 8.403 129.001 120.400 0.331 0.000 2.171 230 K HA 0.047 4.770 4.320 0.672 0.000 0.274 230 K C 0.911 177.760 176.600 0.415 0.000 1.110 230 K CA -0.332 56.229 56.287 0.457 0.000 0.952 230 K CB -0.352 32.366 32.500 0.364 0.000 1.309 230 K HN 0.255 8.582 8.250 0.303 0.104 0.414 231 V N 6.218 126.358 119.914 0.378 0.000 2.392 231 V HA -0.517 3.899 4.120 0.493 0.000 0.249 231 V C 1.430 177.682 176.094 0.263 0.000 1.059 231 V CA 3.923 66.433 62.300 0.350 0.000 1.051 231 V CB -0.251 31.709 31.823 0.229 0.000 0.658 231 V HN 0.227 8.650 8.190 0.388 0.000 0.455 232 c N -3.426 115.267 118.600 0.154 0.000 2.403 232 c HA -0.235 4.379 4.570 0.073 0.000 0.282 232 c C 1.752 175.859 174.090 0.028 0.000 1.297 232 c CA 1.795 58.167 56.329 0.073 0.000 1.785 232 c CB -2.057 40.468 42.510 0.026 0.000 1.963 232 c HN 0.495 8.817 8.230 0.154 0.000 0.507 233 N N 0.765 119.445 118.700 -0.033 0.000 2.494 233 N HA -0.088 4.553 4.740 -0.165 0.000 0.182 233 N C 0.368 175.630 175.510 -0.413 0.000 1.076 233 N CA 1.195 54.086 53.050 -0.264 0.000 0.908 233 N CB -0.214 37.989 38.487 -0.473 0.000 0.967 233 N HN -0.427 7.940 8.380 0.043 0.039 0.449 234 Y N -4.590 115.777 120.300 0.111 0.000 2.481 234 Y HA 0.157 4.836 4.550 0.216 0.000 0.247 234 Y C 0.091 176.127 175.900 0.226 0.000 1.151 234 Y CA -0.484 57.735 58.100 0.199 0.000 1.238 234 Y CB 0.053 38.644 38.460 0.220 0.000 1.179 234 Y HN -0.078 8.115 8.280 0.165 0.186 0.524 235 V N 0.967 121.019 119.914 0.230 0.000 2.332 235 V HA -0.578 3.637 4.120 0.159 0.000 0.248 235 V C 1.367 177.534 176.094 0.122 0.000 1.055 235 V CA 4.964 67.355 62.300 0.151 0.000 1.038 235 V CB -0.597 31.276 31.823 0.083 0.000 0.651 235 V HN -0.793 7.494 8.190 0.163 0.000 0.450 236 S N -0.277 115.495 115.700 0.120 0.000 2.383 236 S HA -0.319 4.173 4.470 0.037 0.000 0.227 236 S C 1.739 176.413 174.600 0.124 0.000 1.026 236 S CA 3.167 61.420 58.200 0.087 0.000 0.981 236 S CB -0.426 62.822 63.200 0.079 0.000 0.818 236 S HN 0.150 8.529 8.310 0.115 0.000 0.472 237 W N 4.014 125.350 121.300 0.060 0.000 2.379 237 W HA -0.164 4.518 4.660 0.037 0.000 0.307 237 W C 1.619 178.150 176.519 0.020 0.000 1.200 237 W CA 2.986 60.375 57.345 0.073 0.000 1.297 237 W CB 0.031 29.614 29.460 0.206 0.000 1.140 237 W HN -0.435 7.965 8.180 0.387 0.012 0.507 238 I N -0.616 119.980 120.570 0.043 0.000 2.163 238 I HA -0.766 3.028 4.170 -0.626 0.000 0.243 238 I C 1.839 177.731 176.117 -0.375 0.000 1.085 238 I CA 4.562 65.699 61.300 -0.272 0.000 1.347 238 I CB -0.256 37.735 38.000 -0.014 0.000 1.044 238 I HN 0.363 8.788 8.210 0.359 0.000 0.408 239 K N -0.940 119.336 120.400 -0.207 0.000 2.032 239 K HA -0.429 3.743 4.320 -0.247 0.000 0.209 239 K C 2.743 179.193 176.600 -0.251 0.000 1.048 239 K CA 3.826 59.987 56.287 -0.209 0.000 0.927 239 K CB -0.354 32.083 32.500 -0.104 0.000 0.712 239 K HN -0.139 8.056 8.250 -0.091 0.000 0.441 240 Q N -2.056 117.607 119.800 -0.228 0.000 2.079 240 Q HA -0.284 3.961 4.340 -0.159 0.000 0.200 240 Q C 2.668 178.478 176.000 -0.316 0.000 0.974 240 Q CA 3.425 59.101 55.803 -0.211 0.000 0.840 240 Q CB 0.055 28.713 28.738 -0.133 0.000 0.898 240 Q HN 0.138 8.299 8.270 -0.183 0.000 0.430 241 T N 2.762 117.000 114.554 -0.526 0.000 2.746 241 T HA -0.259 3.841 4.350 -0.416 0.000 0.267 241 T C 2.276 176.651 174.700 -0.542 0.000 1.039 241 T CA 4.979 66.722 62.100 -0.594 0.000 1.142 241 T CB -0.179 68.054 68.868 -1.059 0.000 0.866 241 T HN 0.019 7.879 8.240 -0.633 0.000 0.444 242 I N 0.956 121.104 120.570 -0.703 0.000 2.252 242 I HA -0.440 2.996 4.170 -1.223 0.000 0.245 242 I C 1.748 177.647 176.117 -0.364 0.000 1.102 242 I CA 3.769 64.555 61.300 -0.857 0.000 1.385 242 I CB -0.414 36.995 38.000 -0.985 0.000 1.064 242 I HN 0.038 7.835 8.210 -0.688 0.000 0.414 243 A N -0.359 122.297 122.820 -0.272 0.000 1.972 243 A HA -0.215 4.046 4.320 -0.098 0.000 0.219 243 A C 1.357 178.892 177.584 -0.081 0.000 1.169 243 A CA 2.809 54.765 52.037 -0.134 0.000 0.635 243 A CB -0.453 18.478 19.000 -0.116 0.000 0.810 243 A HN 0.113 8.073 8.150 -0.317 0.000 0.446 244 S N -4.495 111.145 115.700 -0.099 0.000 2.577 244 S HA 0.083 4.539 4.470 -0.024 0.000 0.219 244 S C -0.731 173.875 174.600 0.010 0.000 0.962 244 S CA 0.799 58.973 58.200 -0.043 0.000 0.921 244 S CB 0.815 63.979 63.200 -0.059 0.000 0.789 244 S HN -0.376 7.723 8.310 -0.164 0.113 0.497 245 N N 0.000 118.739 118.700 0.064 0.000 1.763 245 N HA 0.000 4.816 4.740 0.126 0.000 0.220 245 N CA 0.000 53.166 53.050 0.193 0.000 0.885 245 N CB 0.000 38.681 38.487 0.324 0.000 1.341 245 N HN 0.000 8.238 8.380 0.032 0.161 0.667