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 1c5t_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV 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 4.173 4.170 0.005 0.000 0.288 16 I C 0.000 176.096 176.117 -0.035 0.000 1.063 16 I CA 0.000 61.283 61.300 -0.028 0.000 1.566 16 I CB 0.000 37.955 38.000 -0.075 0.000 1.214 17 V N 5.673 125.581 119.914 -0.010 0.000 2.435 17 V HA 0.262 4.505 4.120 -0.027 -0.138 0.290 17 V C 0.501 176.594 176.094 -0.002 0.000 1.030 17 V CA -1.677 60.616 62.300 -0.012 0.000 0.881 17 V CB 1.107 32.930 31.823 -0.001 0.000 0.983 17 V HN 0.858 9.055 8.190 0.013 0.000 0.445 18 G N 6.936 115.731 108.800 -0.010 0.000 2.198 18 G HA2 -0.400 3.555 3.960 -0.008 0.000 0.257 18 G HA3 -0.400 3.692 3.960 -0.023 -0.145 0.257 18 G C -0.763 174.145 174.900 0.015 0.000 1.042 18 G CA 0.512 45.607 45.100 -0.008 0.000 0.791 18 G HN 0.786 9.068 8.290 -0.014 0.000 0.502 19 G N -0.960 107.846 108.800 0.010 0.000 2.828 19 G HA2 0.639 4.658 3.960 0.097 0.000 0.244 19 G HA3 0.639 4.648 3.960 -0.087 -0.101 0.244 19 G C -1.655 173.288 174.900 0.073 0.000 1.365 19 G CA -1.206 43.902 45.100 0.014 0.000 1.041 19 G HN -0.596 7.665 8.290 -0.011 0.023 0.560 20 Y N -6.011 114.270 120.300 -0.033 0.000 2.638 20 Y HA 0.454 4.986 4.550 -0.030 0.000 0.339 20 Y C -2.013 173.860 175.900 -0.045 0.000 1.084 20 Y CA -2.743 55.337 58.100 -0.033 0.000 1.068 20 Y CB 1.464 39.907 38.460 -0.027 0.000 1.294 20 Y HN 0.340 8.287 8.280 -0.554 0.000 0.480 21 T N 2.958 117.564 114.554 0.086 0.000 2.799 21 T HA 0.001 4.430 4.350 -0.101 -0.139 0.296 21 T C 0.332 175.062 174.700 0.050 0.000 0.947 21 T CA 1.773 63.871 62.100 -0.002 0.000 1.141 21 T CB -0.139 68.754 68.868 0.042 0.000 0.891 21 T HN 0.196 8.544 8.240 0.179 0.000 0.533 22 c N 6.173 124.704 118.600 -0.115 0.000 2.413 22 c HA -0.116 4.460 4.570 0.010 0.000 0.277 22 c C 0.586 174.701 174.090 0.042 0.000 1.228 22 c CA 1.360 57.654 56.329 -0.058 0.000 1.731 22 c CB -0.381 42.021 42.510 -0.180 0.000 2.042 22 c HN 0.469 8.578 8.230 -0.203 0.000 0.468 23 G N -3.992 104.809 108.800 0.001 0.000 2.627 23 G HA2 -0.194 3.781 3.960 0.024 0.000 0.680 23 G HA3 -0.194 3.783 3.960 0.029 0.000 0.680 23 G C -2.745 172.152 174.900 -0.005 0.000 1.341 23 G CA -1.042 44.068 45.100 0.017 0.000 0.835 23 G HN -0.522 7.747 8.290 -0.035 0.000 0.643 24 A N 1.825 124.651 122.820 0.010 0.000 2.546 24 A HA -0.089 4.407 4.320 0.019 -0.164 0.243 24 A C -0.028 177.557 177.584 0.002 0.000 1.063 24 A CA 0.920 52.966 52.037 0.014 0.000 0.757 24 A CB -0.018 18.998 19.000 0.027 0.000 0.991 24 A HN 0.139 8.299 8.150 0.017 0.000 0.503 25 N N -2.126 116.571 118.700 -0.004 0.000 2.721 25 N HA -0.388 4.334 4.740 -0.030 0.000 0.249 25 N C 0.195 175.681 175.510 -0.040 0.000 1.072 25 N CA 1.468 54.506 53.050 -0.020 0.000 0.710 25 N CB -1.031 37.457 38.487 0.001 0.000 0.993 25 N HN 0.548 8.932 8.380 0.007 0.000 0.547 26 T N -3.959 110.561 114.554 -0.056 0.000 3.081 26 T HA -0.013 4.325 4.350 -0.020 0.000 0.250 26 T C -0.433 174.208 174.700 -0.098 0.000 1.100 26 T CA 1.102 63.176 62.100 -0.044 0.000 1.038 26 T CB 0.684 69.544 68.868 -0.013 0.000 0.962 26 T HN -0.470 7.711 8.240 -0.063 0.021 0.516 27 V N 2.107 121.898 119.914 -0.205 0.000 2.320 27 V HA 0.358 4.198 4.120 -0.467 0.000 0.257 27 V C -1.165 174.608 176.094 -0.536 0.000 0.996 27 V CA -3.515 58.502 62.300 -0.472 0.000 0.928 27 V CB 0.792 32.318 31.823 -0.496 0.000 1.169 27 V HN -0.427 7.591 8.190 -0.177 0.065 0.475 28 P HA 0.027 4.483 4.420 -0.097 -0.094 0.226 28 P C 0.170 177.421 177.300 -0.082 0.000 1.153 28 P CA 1.682 64.705 63.100 -0.128 0.000 0.777 28 P CB 0.102 31.799 31.700 -0.005 0.000 0.794 29 Y N -5.726 114.598 120.300 0.041 0.000 2.466 29 Y HA 0.511 5.260 4.550 0.057 -0.165 0.272 29 Y C -0.545 175.393 175.900 0.063 0.000 1.169 29 Y CA -3.474 54.657 58.100 0.051 0.000 1.285 29 Y CB -1.387 37.099 38.460 0.043 0.000 1.078 29 Y HN -0.405 7.329 8.280 -0.815 0.057 0.523 30 Q N 2.328 122.004 119.800 -0.206 0.000 2.313 30 Q HA 0.220 4.748 4.340 0.090 -0.134 0.266 30 Q C -0.661 175.420 176.000 0.135 0.000 0.989 30 Q CA 0.119 55.901 55.803 -0.034 0.000 0.890 30 Q CB 0.779 29.387 28.738 -0.218 0.000 1.200 30 Q HN -0.667 7.242 8.270 -0.495 0.065 0.396 31 V N 6.421 126.459 119.914 0.207 0.000 2.864 31 V HA 0.381 4.743 4.120 0.200 -0.122 0.314 31 V C -1.558 174.707 176.094 0.285 0.000 1.073 31 V CA -1.528 60.898 62.300 0.210 0.000 0.956 31 V CB 4.054 35.957 31.823 0.132 0.000 1.023 31 V HN 0.338 8.647 8.190 0.197 0.000 0.435 32 S N 2.836 118.620 115.700 0.140 0.000 2.478 32 S HA 0.472 5.197 4.470 0.223 -0.121 0.312 32 S C -1.458 173.055 174.600 -0.144 0.000 1.094 32 S CA -1.663 56.552 58.200 0.026 0.000 1.081 32 S CB 1.465 64.466 63.200 -0.330 0.000 1.007 32 S HN 0.078 8.436 8.310 0.080 0.000 0.475 33 L N 6.529 127.544 121.223 -0.347 0.000 2.275 33 L HA 0.551 4.847 4.340 -0.293 -0.132 0.288 33 L C -1.522 174.976 176.870 -0.619 0.000 1.046 33 L CA -0.886 53.639 54.840 -0.527 0.000 0.805 33 L CB 1.071 42.610 42.059 -0.867 0.000 1.193 33 L HN 0.894 8.882 8.230 -0.403 0.000 0.426 38 G N -0.143 108.392 108.800 -0.442 0.000 2.218 38 G HA2 -0.238 3.631 3.960 -0.151 0.000 0.216 38 G HA3 -0.238 3.638 3.960 -0.140 0.000 0.216 38 G C -1.761 173.077 174.900 -0.103 0.000 0.994 38 G CA 0.194 45.155 45.100 -0.232 0.000 0.637 38 G HN 0.237 8.610 8.290 -0.354 -0.296 0.505 39 Y N -6.878 113.400 120.300 -0.036 0.000 2.677 39 Y HA 0.226 4.741 4.550 -0.058 0.000 0.334 39 Y C -2.470 173.445 175.900 0.025 0.000 1.196 39 Y CA -3.457 54.627 58.100 -0.026 0.000 1.059 39 Y CB 0.850 39.294 38.460 -0.026 0.000 1.315 39 Y HN -1.259 6.501 8.280 -0.856 0.007 0.455 40 H N 2.405 121.502 119.070 0.045 0.000 2.848 40 H HA 0.043 4.656 4.556 -0.202 -0.179 0.317 40 H C -0.310 175.124 175.328 0.178 0.000 1.046 40 H CA -0.257 55.752 56.048 -0.065 0.000 1.470 40 H CB 0.331 29.978 29.762 -0.191 0.000 1.483 40 H HN 0.298 8.710 8.280 0.220 0.000 0.548 41 F N 2.552 122.162 119.950 -0.566 0.000 2.880 41 F HA 0.332 4.781 4.527 -0.130 0.000 0.346 41 F C -1.540 174.029 175.800 -0.384 0.000 1.054 41 F CA -0.741 57.083 58.000 -0.292 0.000 1.151 41 F CB 1.511 40.492 39.000 -0.031 0.000 1.066 41 F HN 0.022 7.747 8.300 -0.958 0.000 0.566 42 c N -1.350 116.570 118.600 -1.133 0.000 3.312 42 c HA 0.329 4.826 4.570 -0.206 -0.051 0.332 42 c C -1.639 172.269 174.090 -0.303 0.000 1.340 42 c CA -0.173 55.834 56.329 -0.537 0.000 1.265 42 c CB 4.034 46.274 42.510 -0.451 0.000 1.563 42 c HN -0.820 6.476 8.230 -1.557 0.000 0.471 43 G N -0.804 108.008 108.800 0.019 0.000 2.552 43 G HA2 0.789 5.100 3.960 0.297 0.000 0.318 43 G HA3 0.789 4.897 3.960 0.247 0.000 0.318 43 G C -2.543 172.395 174.900 0.064 0.000 1.240 43 G CA -1.555 43.655 45.100 0.182 0.000 1.002 43 G HN 0.821 9.127 8.290 0.027 0.000 0.493 44 G N -4.136 104.734 108.800 0.116 0.000 2.506 44 G HA2 0.447 4.714 3.960 0.085 0.000 0.292 44 G HA3 0.447 4.447 3.960 0.067 0.000 0.292 44 G C -2.914 172.077 174.900 0.152 0.000 1.425 44 G CA 0.289 45.447 45.100 0.097 0.000 0.788 44 G HN -0.592 7.802 8.290 0.175 0.000 0.490 45 S N -0.761 115.032 115.700 0.155 0.000 2.521 45 S HA 0.881 5.727 4.470 0.274 -0.211 0.295 45 S C -1.445 173.260 174.600 0.174 0.000 1.098 45 S CA -0.944 57.379 58.200 0.205 0.000 0.999 45 S CB 3.935 67.240 63.200 0.175 0.000 1.034 45 S HN 0.289 8.677 8.310 0.130 0.000 0.483 46 L N 5.592 126.933 121.223 0.196 0.000 2.281 46 L HA 0.292 4.840 4.340 0.149 -0.119 0.285 46 L C -0.635 176.319 176.870 0.141 0.000 1.074 46 L CA -0.498 54.438 54.840 0.160 0.000 0.817 46 L CB 1.415 43.565 42.059 0.153 0.000 1.168 46 L HN 0.372 8.757 8.230 0.259 0.000 0.434 47 I N 0.130 120.780 120.570 0.134 0.000 3.854 47 I HA 0.431 4.799 4.170 0.068 -0.157 0.312 47 I C -0.858 175.319 176.117 0.099 0.000 1.273 47 I CA -0.328 61.030 61.300 0.096 0.000 1.298 47 I CB 0.814 38.861 38.000 0.078 0.000 1.071 47 I HN 0.337 8.645 8.210 0.162 0.000 0.428 48 N N -3.208 115.573 118.700 0.134 0.000 3.227 48 N HA 0.096 4.891 4.740 0.092 0.000 0.241 48 N C -0.323 175.262 175.510 0.124 0.000 1.480 48 N CA -0.410 52.714 53.050 0.122 0.000 0.886 48 N CB 0.991 39.556 38.487 0.131 0.000 1.406 48 N HN -0.959 7.516 8.380 0.158 0.000 0.514 49 S N -1.573 114.184 115.700 0.095 0.000 2.440 49 S HA -0.295 4.209 4.470 0.058 0.000 0.238 49 S C 0.733 175.354 174.600 0.035 0.000 1.010 49 S CA 3.060 61.297 58.200 0.062 0.000 0.972 49 S CB -0.020 63.206 63.200 0.045 0.000 0.774 49 S HN 0.535 8.898 8.310 0.088 0.000 0.501 50 Q N -2.335 117.496 119.800 0.052 0.000 2.246 50 Q HA 0.232 4.487 4.340 -0.142 0.000 0.222 50 Q C -1.267 174.549 176.000 -0.307 0.000 0.851 50 Q CA 0.167 55.895 55.803 -0.125 0.000 0.945 50 Q CB 1.260 29.901 28.738 -0.162 0.000 1.122 50 Q HN 0.089 8.401 8.270 0.138 0.041 0.508 51 W N -2.143 119.162 121.300 0.007 0.000 2.936 51 W HA 0.583 5.425 4.660 0.004 -0.180 0.338 51 W C -1.507 175.023 176.519 0.019 0.000 1.121 51 W CA -0.864 56.484 57.345 0.004 0.000 1.209 51 W CB 3.771 33.221 29.460 -0.016 0.000 1.420 51 W HN -0.581 7.743 8.180 0.240 0.000 0.516 52 V N 1.216 121.294 119.914 0.274 0.000 2.735 52 V HA 0.854 5.266 4.120 0.171 -0.189 0.310 52 V C -2.011 174.200 176.094 0.194 0.000 1.061 52 V CA -1.522 60.889 62.300 0.184 0.000 0.913 52 V CB 3.909 35.798 31.823 0.111 0.000 1.005 52 V HN 0.871 9.243 8.190 0.303 0.000 0.428 53 V N 6.317 126.321 119.914 0.150 0.000 2.555 53 V HA 0.926 5.313 4.120 0.153 -0.175 0.302 53 V C -2.248 173.909 176.094 0.104 0.000 1.038 53 V CA -2.633 59.748 62.300 0.134 0.000 0.887 53 V CB 3.084 34.978 31.823 0.118 0.000 0.991 53 V HN 0.463 8.737 8.190 0.140 0.000 0.434 54 S N 7.090 122.839 115.700 0.082 0.000 2.880 54 S HA 0.590 5.268 4.470 0.045 -0.181 0.308 54 S C -2.186 172.412 174.600 -0.004 0.000 1.195 54 S CA -2.608 55.613 58.200 0.035 0.000 0.866 54 S CB 2.193 65.398 63.200 0.008 0.000 1.254 54 S HN 0.670 9.039 8.310 0.098 0.000 0.571 55 A N -0.582 122.193 122.820 -0.075 0.000 2.310 55 A HA 0.421 4.834 4.320 -0.089 -0.147 0.299 55 A C 0.448 177.906 177.584 -0.209 0.000 1.147 55 A CA -1.352 50.598 52.037 -0.145 0.000 0.818 55 A CB 1.298 20.142 19.000 -0.260 0.000 1.096 55 A HN 0.388 8.482 8.150 -0.093 0.000 0.495 56 A N 4.869 127.515 122.820 -0.290 0.000 2.015 56 A HA -0.226 3.952 4.320 -0.236 0.000 0.219 56 A C 1.280 178.649 177.584 -0.359 0.000 1.163 56 A CA 2.721 54.481 52.037 -0.461 0.000 0.646 56 A CB -0.274 18.070 19.000 -1.093 0.000 0.806 56 A HN 0.569 8.598 8.150 -0.272 -0.042 0.448 57 H N -4.667 114.272 119.070 -0.217 0.000 2.559 57 H HA -0.083 4.528 4.556 0.091 0.000 0.273 57 H C 0.189 175.579 175.328 0.102 0.000 1.000 57 H CA 1.467 57.536 56.048 0.036 0.000 1.195 57 H CB -1.300 28.540 29.762 0.130 0.000 1.368 57 H HN 0.004 8.455 8.280 -0.165 -0.269 0.592 58 c N -1.503 116.987 118.600 -0.184 0.000 2.697 58 c HA 0.022 4.664 4.570 0.119 0.000 0.267 58 c C 0.342 174.522 174.090 0.150 0.000 1.278 58 c CA 0.011 56.352 56.329 0.020 0.000 1.708 58 c CB -1.660 40.823 42.510 -0.046 0.000 1.860 58 c HN -0.270 7.595 8.230 -0.276 0.199 0.589 59 Y N 2.842 123.148 120.300 0.009 0.000 2.717 59 Y HA -0.247 4.329 4.550 0.043 0.000 0.330 59 Y C -0.795 175.099 175.900 -0.010 0.000 1.217 59 Y CA 1.918 60.029 58.100 0.018 0.000 1.506 59 Y CB 0.499 38.956 38.460 -0.005 0.000 1.268 59 Y HN -0.398 7.787 8.280 0.150 0.185 0.561 60 K N 7.472 127.238 120.400 -1.056 0.000 2.575 60 K HA 0.227 4.019 4.320 -0.880 0.000 0.279 60 K C -2.219 173.880 176.600 -0.835 0.000 0.969 60 K CA -1.484 54.266 56.287 -0.895 0.000 0.868 60 K CB 3.532 35.650 32.500 -0.637 0.000 1.457 60 K HN 0.199 7.907 8.250 -0.904 0.000 0.426 61 S N -0.894 114.486 115.700 -0.533 0.000 2.578 61 S HA 0.069 4.412 4.470 -0.213 0.000 0.283 61 S C 0.461 174.941 174.600 -0.200 0.000 1.195 61 S CA -0.356 57.688 58.200 -0.261 0.000 1.050 61 S CB 0.805 63.929 63.200 -0.127 0.000 1.012 61 S HN 0.040 8.073 8.310 -0.460 0.000 0.511 62 G N 4.766 113.490 108.800 -0.127 0.000 2.291 62 G HA2 -0.330 3.580 3.960 -0.082 0.000 0.271 62 G HA3 -0.330 3.555 3.960 -0.124 0.000 0.271 62 G C -2.089 172.745 174.900 -0.110 0.000 1.099 62 G CA -0.045 44.988 45.100 -0.111 0.000 0.919 62 G HN 0.392 8.627 8.290 -0.092 0.000 0.496 63 I N -0.981 119.545 120.570 -0.073 0.000 2.385 63 I HA 0.134 4.430 4.170 0.002 -0.125 0.294 63 I C -2.001 174.088 176.117 -0.047 0.000 0.988 63 I CA -1.141 60.147 61.300 -0.021 0.000 1.265 63 I CB 1.552 39.573 38.000 0.036 0.000 1.388 63 I HN -0.465 7.704 8.210 -0.068 0.000 0.480 64 Q N 5.936 125.696 119.800 -0.067 0.000 2.340 64 Q HA 0.470 4.874 4.340 -0.063 -0.102 0.268 64 Q C -1.769 174.170 176.000 -0.101 0.000 1.031 64 Q CA -1.427 54.322 55.803 -0.089 0.000 0.804 64 Q CB 3.924 32.579 28.738 -0.139 0.000 1.286 64 Q HN 0.321 8.554 8.270 -0.062 0.000 0.448 65 V N 6.879 126.757 119.914 -0.060 0.000 2.439 65 V HA 0.294 4.492 4.120 -0.077 -0.124 0.282 65 V C -1.243 174.854 176.094 0.005 0.000 1.039 65 V CA -0.261 62.015 62.300 -0.041 0.000 0.913 65 V CB 1.228 33.044 31.823 -0.011 0.000 0.983 65 V HN 1.070 9.129 8.190 -0.037 0.108 0.460 66 R N 6.096 126.594 120.500 -0.002 0.000 2.360 66 R HA 0.675 5.393 4.340 0.331 -0.179 0.318 66 R C -1.099 175.287 176.300 0.143 0.000 0.950 66 R CA -1.291 54.884 56.100 0.125 0.000 0.837 66 R CB 1.649 31.902 30.300 -0.078 0.000 1.165 66 R HN 0.567 8.810 8.270 -0.044 0.000 0.458 70 E N -0.405 119.896 120.200 0.167 0.000 2.283 70 E HA 0.109 4.549 4.350 0.150 0.000 0.271 70 E C -1.856 174.925 176.600 0.302 0.000 1.031 70 E CA 0.266 56.791 56.400 0.209 0.000 0.868 70 E CB 1.622 31.423 29.700 0.167 0.000 1.094 70 E HN -0.642 7.803 8.360 0.192 0.030 0.401 71 D N 1.242 121.800 120.400 0.264 0.000 2.957 71 D HA 0.058 4.893 4.640 0.324 0.000 0.175 71 D C -1.097 175.406 176.300 0.338 0.000 1.502 71 D CA 1.003 55.166 54.000 0.271 0.000 1.524 71 D CB 2.474 43.352 40.800 0.130 0.000 1.300 71 D HN 0.075 8.557 8.370 0.188 0.000 0.241 72 N N 0.978 119.788 118.700 0.184 0.000 2.411 72 N HA 0.237 5.237 4.740 0.190 -0.146 0.259 72 N C 2.121 177.652 175.510 0.034 0.000 1.103 72 N CA -0.471 52.659 53.050 0.133 0.000 0.954 72 N CB 0.746 39.283 38.487 0.083 0.000 1.085 72 N HN -0.324 8.462 8.380 0.135 -0.325 0.485 73 I N 0.031 120.537 120.570 -0.106 0.000 3.444 73 I HA -0.041 4.156 4.170 -0.222 -0.161 0.287 73 I C -0.395 175.643 176.117 -0.132 0.000 1.302 73 I CA 1.105 62.247 61.300 -0.264 0.000 1.368 73 I CB -0.725 36.880 38.000 -0.659 0.000 1.048 73 I HN 0.546 8.704 8.210 -0.088 0.000 0.487 74 N N -1.875 116.793 118.700 -0.054 0.000 2.184 74 N HA 0.171 4.892 4.740 -0.031 0.000 0.206 74 N C -1.078 174.440 175.510 0.013 0.000 1.151 74 N CA -0.175 52.864 53.050 -0.019 0.000 0.878 74 N CB 2.170 40.654 38.487 -0.006 0.000 1.014 74 N HN 0.024 8.684 8.380 -0.031 -0.299 0.512 75 V N 0.422 120.352 119.914 0.027 0.000 2.577 75 V HA 0.051 4.192 4.120 0.036 0.000 0.303 75 V C -1.407 174.719 176.094 0.053 0.000 1.042 75 V CA -0.972 61.351 62.300 0.038 0.000 0.872 75 V CB 3.232 35.076 31.823 0.035 0.000 0.998 75 V HN -0.828 7.388 8.190 0.021 -0.014 0.423 76 V N 7.734 127.680 119.914 0.054 0.000 2.387 76 V HA -0.195 4.183 4.120 0.064 -0.220 0.260 76 V C 0.322 176.423 176.094 0.012 0.000 1.054 76 V CA 0.680 63.005 62.300 0.041 0.000 0.967 76 V CB -0.339 31.500 31.823 0.027 0.000 1.036 76 V HN 0.310 8.529 8.190 0.047 0.000 0.481 77 E N 9.067 129.273 120.200 0.010 0.000 2.474 77 E HA 0.035 4.389 4.350 0.008 0.000 0.195 77 E C 0.552 177.144 176.600 -0.013 0.000 1.039 77 E CA -0.048 56.356 56.400 0.006 0.000 0.881 77 E CB 0.262 29.975 29.700 0.022 0.000 0.970 77 E HN 0.323 9.105 8.360 0.018 -0.411 0.486 78 G N -1.220 107.557 108.800 -0.038 0.000 2.238 78 G HA2 -0.352 3.568 3.960 -0.067 0.000 0.217 78 G HA3 -0.352 3.587 3.960 -0.034 0.000 0.217 78 G C 0.031 174.895 174.900 -0.061 0.000 0.996 78 G CA 0.430 45.499 45.100 -0.051 0.000 0.632 78 G HN -0.073 8.320 8.290 -0.050 -0.133 0.503 79 N N 0.106 118.776 118.700 -0.049 0.000 2.214 79 N HA 0.128 4.840 4.740 -0.047 0.000 0.214 79 N C -1.292 174.180 175.510 -0.064 0.000 1.132 79 N CA -0.407 52.617 53.050 -0.043 0.000 0.856 79 N CB 0.770 39.251 38.487 -0.010 0.000 1.020 79 N HN 0.399 8.759 8.380 -0.033 0.000 0.509 80 E N -0.223 119.898 120.200 -0.130 0.000 2.318 80 E HA 0.317 4.857 4.350 -0.059 -0.226 0.265 80 E C -0.324 176.094 176.600 -0.303 0.000 1.069 80 E CA -0.385 55.898 56.400 -0.195 0.000 0.893 80 E CB 0.832 30.315 29.700 -0.362 0.000 1.076 80 E HN -0.468 7.735 8.360 -0.148 0.068 0.414 81 Q N 0.186 119.868 119.800 -0.198 0.000 2.274 81 Q HA 0.306 4.510 4.340 -0.226 0.000 0.268 81 Q C -1.407 174.642 176.000 0.083 0.000 1.015 81 Q CA -1.130 54.596 55.803 -0.129 0.000 0.775 81 Q CB 3.198 31.919 28.738 -0.029 0.000 1.256 81 Q HN 0.253 8.495 8.270 -0.047 0.000 0.442 82 F N 3.715 123.648 119.950 -0.028 0.000 2.375 82 F HA 0.820 5.506 4.527 -0.042 -0.184 0.361 82 F C 0.114 175.891 175.800 -0.038 0.000 1.117 82 F CA -1.630 56.347 58.000 -0.038 0.000 1.037 82 F CB 1.746 40.721 39.000 -0.041 0.000 1.192 82 F HN 0.308 8.579 8.300 -0.048 0.000 0.452 83 I N 3.954 124.606 120.570 0.137 0.000 2.533 83 I HA 0.326 4.524 4.170 0.047 0.000 0.290 83 I C -1.000 175.120 176.117 0.006 0.000 1.056 83 I CA -1.353 59.976 61.300 0.048 0.000 1.057 83 I CB 4.172 42.183 38.000 0.019 0.000 1.240 83 I HN 1.022 9.312 8.210 0.132 0.000 0.423 84 S N 6.438 122.132 115.700 -0.011 0.000 2.592 84 S HA 0.104 4.551 4.470 -0.038 0.000 0.271 84 S C -0.669 173.900 174.600 -0.051 0.000 1.326 84 S CA 0.859 59.039 58.200 -0.033 0.000 1.024 84 S CB 1.067 64.248 63.200 -0.032 0.000 0.921 84 S HN 0.538 8.845 8.310 -0.004 0.000 0.527 85 A N 2.839 125.626 122.820 -0.054 0.000 2.327 85 A HA 0.312 4.713 4.320 -0.096 -0.138 0.283 85 A C -0.309 177.233 177.584 -0.071 0.000 1.127 85 A CA -0.594 51.401 52.037 -0.069 0.000 0.810 85 A CB 0.972 19.946 19.000 -0.043 0.000 1.066 85 A HN -0.147 7.975 8.150 -0.047 0.000 0.492 86 S N 2.320 117.959 115.700 -0.103 0.000 2.483 86 S HA 0.116 4.551 4.470 -0.058 0.000 0.221 86 S C 0.322 174.889 174.600 -0.055 0.000 1.030 86 S CA 1.159 59.310 58.200 -0.083 0.000 0.925 86 S CB 1.234 64.366 63.200 -0.112 0.000 0.795 86 S HN 0.706 8.814 8.310 -0.151 0.112 0.511 87 K N -0.079 120.283 120.400 -0.064 0.000 2.587 87 K HA 0.257 4.599 4.320 0.036 0.000 0.276 87 K C -2.567 174.063 176.600 0.051 0.000 0.956 87 K CA -0.171 56.121 56.287 0.008 0.000 0.857 87 K CB 2.682 35.197 32.500 0.025 0.000 1.431 87 K HN -0.773 7.408 8.250 -0.114 0.000 0.420 88 S N 1.337 117.114 115.700 0.128 0.000 2.526 88 S HA 0.887 5.645 4.470 0.192 -0.173 0.293 88 S C -0.721 174.001 174.600 0.203 0.000 1.092 88 S CA -0.670 57.647 58.200 0.195 0.000 0.980 88 S CB 2.625 65.988 63.200 0.272 0.000 1.048 88 S HN 0.184 8.572 8.310 0.130 0.000 0.483 89 I N 7.246 127.954 120.570 0.231 0.000 2.476 89 I HA 0.194 4.463 4.170 0.165 0.000 0.281 89 I C -1.620 174.651 176.117 0.257 0.000 1.040 89 I CA -0.408 61.026 61.300 0.224 0.000 1.094 89 I CB 2.655 40.803 38.000 0.247 0.000 1.219 89 I HN 0.973 9.337 8.210 0.257 0.000 0.450 90 V N 7.442 127.439 119.914 0.139 0.000 2.649 90 V HA -0.117 4.056 4.120 0.088 0.000 0.292 90 V C -0.354 175.804 176.094 0.107 0.000 1.055 90 V CA -0.731 61.613 62.300 0.072 0.000 1.023 90 V CB 0.964 32.744 31.823 -0.072 0.000 0.992 90 V HN 0.272 8.502 8.190 0.067 0.000 0.480 91 H N 8.272 127.271 119.070 -0.117 0.000 3.064 91 H HA -0.096 4.046 4.556 -0.691 0.000 0.329 91 H C 0.049 175.270 175.328 -0.179 0.000 1.020 91 H CA 0.980 56.770 56.048 -0.431 0.000 1.402 91 H CB 1.631 31.019 29.762 -0.624 0.000 1.379 91 H HN -0.179 8.109 8.280 0.013 0.000 0.594 92 P HA -0.141 4.223 4.420 -0.093 0.000 0.217 92 P C -0.377 176.889 177.300 -0.056 0.000 1.148 92 P CA 1.885 64.851 63.100 -0.224 0.000 0.828 92 P CB 0.293 31.834 31.700 -0.266 0.000 0.783 93 S N -2.983 112.772 115.700 0.091 0.000 2.574 93 S HA 0.046 4.559 4.470 0.072 0.000 0.242 93 S C -1.214 173.496 174.600 0.183 0.000 0.982 93 S CA -0.619 57.687 58.200 0.178 0.000 0.977 93 S CB 0.562 63.882 63.200 0.201 0.000 0.814 93 S HN -0.529 7.771 8.310 0.044 0.036 0.464 94 Y N 3.802 124.140 120.300 0.064 0.000 2.526 94 Y HA -0.273 4.452 4.550 -0.037 -0.198 0.330 94 Y C -0.752 175.137 175.900 -0.018 0.000 1.156 94 Y CA 0.775 58.871 58.100 -0.006 0.000 1.419 94 Y CB 0.900 39.354 38.460 -0.011 0.000 1.250 94 Y HN -0.828 7.566 8.280 0.289 0.059 0.540 95 N N 7.793 126.118 118.700 -0.626 0.000 2.564 95 N HA 0.234 4.698 4.740 -0.460 0.000 0.248 95 N C -0.231 174.750 175.510 -0.882 0.000 0.986 95 N CA -1.198 51.509 53.050 -0.572 0.000 0.921 95 N CB 1.395 39.713 38.487 -0.283 0.000 1.136 95 N HN -0.148 7.964 8.380 -0.447 0.000 0.509 96 S N 6.384 121.542 115.700 -0.903 0.000 2.507 96 S HA -0.138 3.950 4.470 -0.636 0.000 0.235 96 S C 0.885 175.305 174.600 -0.300 0.000 0.988 96 S CA 2.399 60.261 58.200 -0.564 0.000 0.944 96 S CB -0.320 62.745 63.200 -0.225 0.000 0.762 96 S HN 0.637 8.513 8.310 -0.724 0.000 0.526 97 N N 1.665 120.192 118.700 -0.289 0.000 2.290 97 N HA -0.074 4.550 4.740 -0.194 0.000 0.179 97 N C 1.047 176.395 175.510 -0.269 0.000 1.016 97 N CA 2.205 55.121 53.050 -0.224 0.000 0.871 97 N CB 0.532 38.914 38.487 -0.174 0.000 0.987 97 N HN 0.072 8.457 8.380 -0.320 -0.197 0.431 98 T N -3.947 110.437 114.554 -0.283 0.000 3.022 98 T HA 0.076 4.209 4.350 -0.362 0.000 0.250 98 T C 0.161 174.640 174.700 -0.368 0.000 1.060 98 T CA -0.176 61.738 62.100 -0.310 0.000 1.013 98 T CB 1.451 70.197 68.868 -0.203 0.000 0.982 98 T HN -0.527 7.786 8.240 -0.280 -0.241 0.508 99 L N -3.582 117.465 121.223 -0.294 0.000 4.291 99 L HA -0.493 3.912 4.340 -0.004 -0.067 0.413 99 L C -1.896 174.991 176.870 0.028 0.000 1.162 99 L CA 0.569 55.338 54.840 -0.119 0.000 0.961 99 L CB -2.651 39.257 42.059 -0.253 0.000 2.095 99 L HN -0.133 7.856 8.230 -0.319 0.050 0.838 100 N N -0.795 117.883 118.700 -0.038 0.000 2.520 100 N HA -0.136 4.658 4.740 0.089 0.000 0.273 100 N C -0.119 175.441 175.510 0.083 0.000 1.155 100 N CA 0.627 53.700 53.050 0.038 0.000 0.967 100 N CB 1.194 39.678 38.487 -0.005 0.000 1.092 100 N HN -0.779 7.475 8.380 -0.136 0.044 0.457 101 N N -0.911 117.836 118.700 0.078 0.000 2.756 101 N HA -0.471 4.194 4.740 -0.124 0.000 0.248 101 N C -1.411 174.060 175.510 -0.066 0.000 1.062 101 N CA 1.337 54.327 53.050 -0.100 0.000 0.696 101 N CB -1.525 36.829 38.487 -0.222 0.000 0.946 101 N HN 0.638 9.088 8.380 0.115 0.000 0.548 102 D N -0.716 119.697 120.400 0.023 0.000 2.551 102 D HA 0.070 4.677 4.640 -0.056 0.000 0.223 102 D C -2.105 174.099 176.300 -0.161 0.000 1.144 102 D CA -0.254 53.752 54.000 0.010 0.000 1.025 102 D CB -0.695 40.225 40.800 0.201 0.000 1.085 102 D HN -0.075 8.328 8.370 0.055 0.000 0.506 103 I N 2.023 122.424 120.570 -0.282 0.000 2.827 103 I HA 0.679 4.949 4.170 -0.123 -0.173 0.298 103 I C -3.111 172.963 176.117 -0.071 0.000 1.235 103 I CA -1.477 59.699 61.300 -0.207 0.000 1.021 103 I CB 4.035 41.799 38.000 -0.394 0.000 1.259 103 I HN -0.095 7.886 8.210 -0.311 0.043 0.427 104 M N 6.019 125.661 119.600 0.070 0.000 2.520 104 M HA 0.712 5.521 4.480 0.308 -0.144 0.283 104 M C -2.856 173.586 176.300 0.237 0.000 1.237 104 M CA -0.975 54.440 55.300 0.190 0.000 0.885 104 M CB 4.954 37.606 32.600 0.087 0.000 1.727 104 M HN 0.445 8.769 8.290 0.056 0.000 0.468 105 L N 2.216 123.608 121.223 0.281 0.000 2.346 105 L HA 0.889 5.557 4.340 0.245 -0.181 0.274 105 L C -1.389 175.680 176.870 0.330 0.000 1.007 105 L CA -1.441 53.564 54.840 0.274 0.000 0.818 105 L CB 3.435 45.592 42.059 0.164 0.000 1.284 105 L HN 0.515 8.941 8.230 0.326 0.000 0.424 106 I N 0.985 121.747 120.570 0.321 0.000 2.466 106 I HA 0.510 4.922 4.170 0.139 -0.159 0.289 106 I C -1.742 174.346 176.117 -0.048 0.000 1.026 106 I CA -1.219 60.171 61.300 0.150 0.000 1.078 106 I CB 3.126 41.178 38.000 0.087 0.000 1.249 106 I HN 0.912 9.332 8.210 0.350 0.000 0.429 107 K N 6.690 126.861 120.400 -0.382 0.000 2.156 107 K HA 0.675 4.394 4.320 -1.277 -0.165 0.271 107 K C -1.078 175.246 176.600 -0.460 0.000 0.995 107 K CA -1.910 53.807 56.287 -0.949 0.000 0.890 107 K CB 3.140 34.872 32.500 -1.280 0.000 1.073 107 K HN 0.754 8.873 8.250 -0.218 0.000 0.454 108 L N 4.596 125.567 121.223 -0.421 0.000 2.375 108 L HA 0.204 4.563 4.340 -0.164 -0.117 0.271 108 L C 1.605 178.354 176.870 -0.201 0.000 1.107 108 L CA 0.046 54.753 54.840 -0.222 0.000 0.806 108 L CB 0.370 42.336 42.059 -0.154 0.000 1.146 108 L HN 0.625 8.518 8.230 -0.561 0.000 0.447 109 K N 2.007 122.331 120.400 -0.127 0.000 2.097 109 K HA -0.262 3.993 4.320 -0.108 0.000 0.205 109 K C -0.105 176.446 176.600 -0.082 0.000 1.050 109 K CA 2.819 59.048 56.287 -0.096 0.000 0.938 109 K CB 0.567 33.031 32.500 -0.061 0.000 0.718 109 K HN 0.561 8.749 8.250 -0.102 0.000 0.442 110 S N -2.562 113.095 115.700 -0.071 0.000 2.599 110 S HA 0.110 4.549 4.470 -0.051 0.000 0.294 110 S C -1.442 173.125 174.600 -0.054 0.000 1.094 110 S CA -1.737 56.432 58.200 -0.052 0.000 0.931 110 S CB 2.573 65.754 63.200 -0.032 0.000 1.093 110 S HN -0.447 7.810 8.310 -0.070 0.011 0.488 111 A N 1.668 124.464 122.820 -0.040 0.000 2.371 111 A HA -0.023 4.415 4.320 -0.042 -0.144 0.257 111 A C -0.248 177.327 177.584 -0.015 0.000 1.089 111 A CA -0.238 51.782 52.037 -0.028 0.000 0.794 111 A CB 0.494 19.488 19.000 -0.011 0.000 1.029 111 A HN -0.035 8.095 8.150 -0.033 0.000 0.488 112 A N 3.073 125.890 122.820 -0.004 0.000 2.287 112 A HA 0.152 4.539 4.320 0.001 -0.066 0.273 112 A C -0.882 176.707 177.584 0.009 0.000 1.091 112 A CA -0.638 51.403 52.037 0.006 0.000 0.817 112 A CB 1.450 20.463 19.000 0.021 0.000 1.069 112 A HN 0.255 8.295 8.150 -0.003 0.108 0.492 113 S N 0.440 116.144 115.700 0.007 0.000 2.422 113 S HA 0.102 4.577 4.470 0.009 0.000 0.308 113 S C -0.970 173.638 174.600 0.014 0.000 1.097 113 S CA -0.458 57.746 58.200 0.007 0.000 1.099 113 S CB 0.617 63.816 63.200 -0.003 0.000 0.976 113 S HN 0.039 8.701 8.310 0.003 -0.350 0.471 114 L N 6.688 127.923 121.223 0.021 0.000 2.371 114 L HA 0.116 4.606 4.340 0.034 -0.130 0.272 114 L C -0.381 176.502 176.870 0.022 0.000 1.124 114 L CA -0.191 54.666 54.840 0.029 0.000 0.816 114 L CB 0.243 42.323 42.059 0.036 0.000 1.129 114 L HN 0.327 8.570 8.230 0.020 0.000 0.448 115 N N 3.742 122.457 118.700 0.024 0.000 3.526 115 N HA 0.190 4.941 4.740 0.017 0.000 0.328 115 N C -0.501 175.023 175.510 0.023 0.000 1.601 115 N CA -0.611 52.450 53.050 0.018 0.000 0.834 115 N CB 0.723 39.216 38.487 0.010 0.000 1.983 115 N HN 0.366 8.764 8.380 0.030 0.000 0.579 116 S N -1.109 114.602 115.700 0.018 0.000 2.382 116 S HA -0.270 4.215 4.470 0.025 0.000 0.228 116 S C 0.561 175.173 174.600 0.020 0.000 1.027 116 S CA 3.101 61.313 58.200 0.020 0.000 0.991 116 S CB -0.231 62.977 63.200 0.014 0.000 0.823 116 S HN 0.288 8.606 8.310 0.013 0.000 0.469 117 R N -2.115 118.395 120.500 0.015 0.000 2.276 117 R HA -0.038 4.307 4.340 0.008 0.000 0.196 117 R C -1.215 175.096 176.300 0.018 0.000 0.961 117 R CA 0.799 56.906 56.100 0.012 0.000 1.024 117 R CB 0.976 31.282 30.300 0.009 0.000 0.940 117 R HN -0.268 8.229 8.270 0.013 -0.219 0.480 118 V N -1.250 118.681 119.914 0.028 0.000 2.409 118 V HA 0.273 4.611 4.120 0.044 -0.191 0.290 118 V C -2.060 174.068 176.094 0.058 0.000 1.017 118 V CA -1.193 61.133 62.300 0.042 0.000 0.841 118 V CB 2.186 34.031 31.823 0.036 0.000 1.003 118 V HN -0.592 7.650 8.190 0.026 -0.037 0.426 119 A N 6.929 129.800 122.820 0.085 0.000 2.515 119 A HA 0.495 4.864 4.320 0.083 0.000 0.296 119 A C -2.540 175.135 177.584 0.151 0.000 1.094 119 A CA -1.357 50.743 52.037 0.106 0.000 0.718 119 A CB 3.295 22.363 19.000 0.113 0.000 1.307 119 A HN 0.229 8.309 8.150 0.089 0.123 0.408 120 S N -1.753 114.022 115.700 0.126 0.000 2.687 120 S HA 0.650 5.343 4.470 0.164 -0.124 0.283 120 S C -0.794 173.863 174.600 0.095 0.000 1.170 120 S CA -1.657 56.619 58.200 0.127 0.000 1.008 120 S CB 1.925 65.178 63.200 0.089 0.000 1.026 120 S HN -0.033 8.336 8.310 0.098 0.000 0.541 121 I N 0.749 121.334 120.570 0.025 0.000 2.603 121 I HA 0.200 4.299 4.170 -0.118 0.000 0.300 121 I C -1.144 174.925 176.117 -0.079 0.000 1.017 121 I CA -1.862 59.356 61.300 -0.136 0.000 1.098 121 I CB 3.628 41.338 38.000 -0.483 0.000 1.279 121 I HN 0.465 8.706 8.210 0.051 0.000 0.437 122 S N 6.175 121.825 115.700 -0.084 0.000 2.580 122 S HA 0.212 4.667 4.470 -0.026 0.000 0.274 122 S C -0.646 173.927 174.600 -0.045 0.000 1.329 122 S CA 0.213 58.385 58.200 -0.047 0.000 1.036 122 S CB 0.720 63.897 63.200 -0.038 0.000 0.919 122 S HN 0.379 8.623 8.310 -0.109 0.000 0.515 123 L N 2.836 124.047 121.223 -0.021 0.000 2.399 123 L HA 0.238 4.579 4.340 0.001 0.000 0.266 123 L C -1.526 175.341 176.870 -0.006 0.000 1.114 123 L CA -2.692 52.146 54.840 -0.003 0.000 0.804 123 L CB 0.101 42.165 42.059 0.008 0.000 1.146 123 L HN 0.368 8.589 8.230 -0.016 0.000 0.451 124 P HA 0.197 4.607 4.420 -0.017 0.000 0.276 124 P C -1.274 176.026 177.300 -0.002 0.000 1.244 124 P CA -0.717 62.380 63.100 -0.005 0.000 0.801 124 P CB 0.713 32.412 31.700 -0.002 0.000 1.006 128 c N 0.781 119.355 118.600 -0.043 0.000 2.595 128 c HA 0.065 4.596 4.570 -0.065 0.000 0.384 128 c C 0.244 174.275 174.090 -0.099 0.000 1.289 128 c CA -0.295 55.993 56.329 -0.068 0.000 2.372 128 c CB 0.202 42.675 42.510 -0.061 0.000 2.593 128 c HN -0.016 8.192 8.230 -0.037 0.000 0.639 129 A N 2.058 124.783 122.820 -0.158 0.000 2.286 129 A HA 0.040 4.286 4.320 -0.123 0.000 0.286 129 A C -1.095 176.382 177.584 -0.178 0.000 1.097 129 A CA -0.172 51.762 52.037 -0.172 0.000 0.821 129 A CB 0.902 19.765 19.000 -0.228 0.000 1.076 129 A HN 0.161 8.193 8.150 -0.196 0.000 0.490 133 G N 1.287 110.044 108.800 -0.072 0.000 2.258 133 G HA2 -0.293 3.633 3.960 -0.056 0.000 0.233 133 G HA3 -0.293 3.638 3.960 -0.049 0.000 0.233 133 G C -0.193 174.668 174.900 -0.065 0.000 1.006 133 G CA 0.060 45.124 45.100 -0.060 0.000 0.620 133 G HN 0.761 8.889 8.290 -0.078 0.115 0.511 134 T N 4.204 118.708 114.554 -0.083 0.000 2.916 134 T HA -0.164 4.149 4.350 -0.061 0.000 0.303 134 T C -0.899 173.754 174.700 -0.078 0.000 1.025 134 T CA 1.746 63.797 62.100 -0.081 0.000 1.142 134 T CB 0.545 69.349 68.868 -0.107 0.000 0.947 134 T HN -0.434 7.663 8.240 -0.098 0.085 0.544 135 Q N 4.780 124.549 119.800 -0.052 0.000 2.261 135 Q HA 0.137 4.577 4.340 -0.046 -0.127 0.252 135 Q C -0.878 175.102 176.000 -0.034 0.000 0.915 135 Q CA 0.064 55.846 55.803 -0.035 0.000 0.915 135 Q CB 1.329 30.064 28.738 -0.004 0.000 1.204 135 Q HN 0.223 8.468 8.270 -0.043 0.000 0.421 136 c N 0.997 119.578 118.600 -0.031 0.000 2.913 136 c HA 0.630 5.314 4.570 -0.020 -0.126 0.322 136 c C -1.640 172.455 174.090 0.008 0.000 1.292 136 c CA -1.329 54.985 56.329 -0.025 0.000 1.649 136 c CB 4.270 46.744 42.510 -0.059 0.000 2.139 136 c HN 0.802 8.901 8.230 -0.032 0.112 0.475 137 L N 0.932 122.168 121.223 0.022 0.000 2.325 137 L HA 0.800 5.340 4.340 0.054 -0.168 0.281 137 L C -2.230 174.658 176.870 0.029 0.000 1.004 137 L CA -1.260 53.608 54.840 0.047 0.000 0.823 137 L CB 3.184 45.294 42.059 0.086 0.000 1.236 137 L HN 0.576 8.709 8.230 0.015 0.106 0.415 138 I N 7.701 128.273 120.570 0.003 0.000 2.474 138 I HA 0.873 5.293 4.170 0.021 -0.237 0.294 138 I C -1.392 174.697 176.117 -0.046 0.000 1.005 138 I CA -1.536 59.763 61.300 -0.002 0.000 1.113 138 I CB 2.640 40.639 38.000 -0.001 0.000 1.289 138 I HN 0.872 9.083 8.210 0.002 0.000 0.436 139 S N 2.732 118.400 115.700 -0.052 0.000 2.588 139 S HA 1.003 5.504 4.470 -0.214 -0.159 0.275 139 S C -1.171 173.322 174.600 -0.179 0.000 1.130 139 S CA -1.764 56.333 58.200 -0.173 0.000 0.855 139 S CB 3.765 66.825 63.200 -0.234 0.000 1.116 139 S HN -0.199 8.112 8.310 0.003 0.000 0.472 140 G N -1.105 107.500 108.800 -0.325 0.000 2.316 140 G HA2 0.157 3.902 3.960 -0.358 0.000 0.296 140 G HA3 0.157 4.229 3.960 -0.035 -0.133 0.296 140 G C -2.248 172.453 174.900 -0.333 0.000 1.399 140 G CA 0.579 45.519 45.100 -0.266 0.000 0.833 140 G HN 0.326 8.366 8.290 -0.417 0.000 0.565 141 W N 1.190 122.462 121.300 -0.047 0.000 3.067 141 W HA 0.405 5.020 4.660 -0.074 0.000 0.417 141 W C -0.137 176.424 176.519 0.070 0.000 1.029 141 W CA -0.911 56.378 57.345 -0.093 0.000 1.992 141 W CB 0.104 29.332 29.460 -0.386 0.000 1.122 141 W HN 0.583 8.959 8.180 0.326 0.000 0.681 142 G N 0.729 109.680 108.800 0.251 0.000 2.621 142 G HA2 -0.054 4.187 3.960 0.457 0.000 0.271 142 G HA3 -0.054 4.199 3.960 0.195 -0.176 0.271 142 G C -0.918 173.930 174.900 -0.087 0.000 1.236 142 G CA -0.789 44.446 45.100 0.226 0.000 0.958 142 G HN -0.396 8.148 8.290 0.162 -0.156 0.512 143 N N -0.398 118.069 118.700 -0.388 0.000 2.353 143 N HA -0.318 3.933 4.740 -1.091 -0.166 0.248 143 N C 0.786 176.134 175.510 -0.268 0.000 1.240 143 N CA 1.262 53.916 53.050 -0.660 0.000 0.862 143 N CB 0.668 38.840 38.487 -0.524 0.000 1.086 143 N HN 0.075 8.346 8.380 -0.181 0.000 0.453 144 T N -0.524 113.894 114.554 -0.228 0.000 3.092 144 T HA 0.164 4.572 4.350 -0.087 -0.110 0.258 144 T C -0.019 174.635 174.700 -0.076 0.000 1.031 144 T CA 0.296 62.330 62.100 -0.110 0.000 0.925 144 T CB 1.355 70.175 68.868 -0.079 0.000 1.036 144 T HN 0.358 8.425 8.240 -0.288 0.000 0.544 145 K N 1.878 122.226 120.400 -0.086 0.000 2.270 145 K HA 0.374 4.675 4.320 -0.032 0.000 0.255 145 K C -0.190 176.392 176.600 -0.030 0.000 0.936 145 K CA -2.057 54.203 56.287 -0.045 0.000 0.809 145 K CB 2.378 34.855 32.500 -0.038 0.000 1.131 145 K HN -0.696 7.681 8.250 -0.134 -0.207 0.427 146 S N 2.316 118.009 115.700 -0.011 0.000 2.395 146 S HA -0.160 4.313 4.470 0.006 0.000 0.225 146 S C -0.030 174.575 174.600 0.009 0.000 1.027 146 S CA 1.972 60.174 58.200 0.004 0.000 0.965 146 S CB 0.411 63.617 63.200 0.009 0.000 0.812 146 S HN 0.262 8.566 8.310 -0.010 0.000 0.482 147 S N 1.385 117.089 115.700 0.006 0.000 2.150 147 S HA 0.157 4.637 4.470 0.016 0.000 0.171 147 S C -0.949 173.657 174.600 0.010 0.000 1.620 147 S CA 0.004 58.211 58.200 0.012 0.000 1.190 147 S CB -0.240 62.967 63.200 0.011 0.000 1.102 147 S HN -0.390 7.921 8.310 0.002 0.000 0.464 148 G N 2.476 111.283 108.800 0.011 0.000 2.356 148 G HA2 -0.132 3.842 3.960 0.023 0.000 0.300 148 G HA3 -0.132 3.833 3.960 0.009 0.000 0.300 148 G C -2.772 172.133 174.900 0.008 0.000 1.331 148 G CA 0.008 45.116 45.100 0.013 0.000 0.905 148 G HN -0.434 7.864 8.290 0.013 0.000 0.587 149 T N -0.082 114.486 114.554 0.023 0.000 2.881 149 T HA 0.206 4.723 4.350 -0.043 -0.193 0.291 149 T C -1.504 173.212 174.700 0.027 0.000 0.990 149 T CA -0.347 61.771 62.100 0.030 0.000 0.976 149 T CB 2.316 71.265 68.868 0.135 0.000 0.970 149 T HN -0.085 8.174 8.240 0.031 0.000 0.438 150 S N 5.851 121.507 115.700 -0.073 0.000 2.653 150 S HA 0.195 4.721 4.470 0.094 0.000 0.268 150 S C -2.293 172.228 174.600 -0.132 0.000 1.153 150 S CA 0.108 58.303 58.200 -0.008 0.000 1.036 150 S CB 1.215 64.406 63.200 -0.014 0.000 1.103 150 S HN 0.587 9.111 8.310 -0.246 -0.362 0.466 151 Y N 5.863 126.196 120.300 0.055 0.000 2.328 151 Y HA 0.180 4.779 4.550 0.083 0.000 0.337 151 Y C -1.281 174.663 175.900 0.073 0.000 1.008 151 Y CA -2.678 55.467 58.100 0.074 0.000 1.129 151 Y CB 1.134 39.643 38.460 0.081 0.000 1.185 151 Y HN 0.061 8.528 8.280 0.311 0.000 0.476 152 P HA 0.135 4.626 4.420 0.118 0.000 0.282 152 P C -1.657 175.771 177.300 0.214 0.000 1.259 152 P CA -1.113 62.078 63.100 0.151 0.000 0.826 152 P CB 1.617 33.372 31.700 0.092 0.000 1.064 153 D N -1.228 119.276 120.400 0.173 0.000 2.355 153 D HA 0.023 4.740 4.640 0.129 0.000 0.206 153 D C -0.855 175.615 176.300 0.283 0.000 1.010 153 D CA 1.031 55.130 54.000 0.165 0.000 0.875 153 D CB 1.081 41.936 40.800 0.092 0.000 0.966 153 D HN 0.422 8.872 8.370 0.133 0.000 0.512 154 V N -7.552 112.518 119.914 0.260 0.000 2.975 154 V HA 0.578 5.173 4.120 0.395 -0.237 0.318 154 V C -0.885 175.248 176.094 0.066 0.000 1.077 154 V CA -2.810 59.640 62.300 0.250 0.000 1.000 154 V CB 2.165 34.053 31.823 0.108 0.000 1.066 154 V HN -0.956 7.342 8.190 0.180 0.000 0.452 155 L N 1.752 122.871 121.223 -0.173 0.000 2.453 155 L HA -0.032 3.537 4.340 -1.285 0.000 0.272 155 L C -0.317 176.298 176.870 -0.424 0.000 1.182 155 L CA 0.789 55.205 54.840 -0.708 0.000 0.858 155 L CB 0.799 42.416 42.059 -0.738 0.000 1.120 155 L HN -0.118 8.306 8.230 0.021 -0.182 0.474 156 K N 5.072 125.198 120.400 -0.456 0.000 2.208 156 K HA 0.717 4.994 4.320 -0.342 -0.163 0.247 156 K C -1.245 175.100 176.600 -0.426 0.000 0.953 156 K CA -2.524 53.548 56.287 -0.358 0.000 0.837 156 K CB 2.815 35.170 32.500 -0.241 0.000 1.131 156 K HN -0.096 7.811 8.250 -0.572 0.000 0.431 157 c N -0.420 117.827 118.600 -0.588 0.000 2.614 157 c HA 0.979 5.489 4.570 -0.398 -0.178 0.320 157 c C -1.775 171.955 174.090 -0.600 0.000 1.200 157 c CA -0.798 55.135 56.329 -0.659 0.000 1.700 157 c CB 3.527 45.478 42.510 -0.932 0.000 2.275 157 c HN 0.801 8.611 8.230 -0.700 0.000 0.492 158 L N 1.137 122.214 121.223 -0.242 0.000 2.493 158 L HA 0.452 4.833 4.340 0.070 0.000 0.265 158 L C -2.578 174.354 176.870 0.104 0.000 0.954 158 L CA 0.132 54.971 54.840 -0.002 0.000 0.844 158 L CB 4.397 46.469 42.059 0.022 0.000 1.302 158 L HN 0.713 8.833 8.230 -0.182 0.000 0.405 159 K N 6.477 127.000 120.400 0.204 0.000 2.183 159 K HA 0.877 5.491 4.320 0.117 -0.223 0.274 159 K C -1.035 175.682 176.600 0.196 0.000 1.009 159 K CA -0.768 55.621 56.287 0.169 0.000 0.888 159 K CB 1.330 33.936 32.500 0.177 0.000 1.078 159 K HN 0.273 8.682 8.250 0.265 0.000 0.459 160 A N 4.453 127.330 122.820 0.094 0.000 2.549 160 A HA 0.519 4.854 4.320 0.024 0.000 0.297 160 A C -3.335 174.184 177.584 -0.109 0.000 1.061 160 A CA -2.978 49.054 52.037 -0.008 0.000 0.690 160 A CB 2.979 21.974 19.000 -0.009 0.000 1.287 160 A HN 0.692 8.870 8.150 0.046 0.000 0.402 161 P HA 0.749 5.313 4.420 -0.107 -0.209 0.285 161 P C -1.110 176.110 177.300 -0.133 0.000 1.269 161 P CA -1.540 61.469 63.100 -0.152 0.000 0.844 161 P CB 1.701 33.311 31.700 -0.149 0.000 1.094 162 I N -0.285 120.223 120.570 -0.104 0.000 2.529 162 I HA -0.054 4.243 4.170 0.029 -0.110 0.284 162 I C 0.185 176.274 176.117 -0.046 0.000 1.082 162 I CA 0.563 61.824 61.300 -0.065 0.000 1.406 162 I CB 0.331 38.215 38.000 -0.193 0.000 1.405 162 I HN 0.043 8.185 8.210 -0.114 0.000 0.548 163 L N 6.991 128.223 121.223 0.015 0.000 2.387 163 L HA 0.231 4.555 4.340 -0.027 0.000 0.266 163 L C -0.221 176.662 176.870 0.022 0.000 1.059 163 L CA -0.864 53.979 54.840 0.005 0.000 0.801 163 L CB 0.783 42.856 42.059 0.023 0.000 1.223 163 L HN 0.328 8.611 8.230 0.089 0.000 0.456 164 S N -0.153 115.554 115.700 0.012 0.000 2.579 164 S HA -0.108 4.366 4.470 0.006 0.000 0.275 164 S C 0.410 175.034 174.600 0.040 0.000 1.345 164 S CA -0.535 57.674 58.200 0.016 0.000 1.031 164 S CB 0.842 64.047 63.200 0.008 0.000 0.892 164 S HN 0.244 8.556 8.310 0.004 0.000 0.529 165 D N 3.219 123.645 120.400 0.043 0.000 2.178 165 D HA -0.216 4.475 4.640 0.085 0.000 0.202 165 D C 1.903 178.236 176.300 0.056 0.000 0.974 165 D CA 3.787 57.825 54.000 0.063 0.000 0.841 165 D CB -0.168 40.667 40.800 0.058 0.000 0.953 165 D HN 0.561 8.949 8.370 0.030 0.000 0.478 166 S N -0.757 114.966 115.700 0.038 0.000 2.368 166 S HA -0.224 4.269 4.470 0.039 0.000 0.224 166 S C 1.683 176.303 174.600 0.032 0.000 1.029 166 S CA 3.122 61.342 58.200 0.034 0.000 0.988 166 S CB -0.164 63.049 63.200 0.022 0.000 0.838 166 S HN 0.069 8.388 8.310 0.030 0.008 0.462 167 S N 1.480 117.196 115.700 0.028 0.000 2.423 167 S HA -0.159 4.316 4.470 0.009 0.000 0.231 167 S C 1.724 176.343 174.600 0.031 0.000 1.014 167 S CA 2.363 60.574 58.200 0.019 0.000 0.965 167 S CB -0.055 63.152 63.200 0.012 0.000 0.785 167 S HN -0.526 7.800 8.310 0.027 0.000 0.495 168 c N 3.919 122.557 118.600 0.063 0.000 2.476 168 c HA -0.220 4.422 4.570 0.121 0.000 0.278 168 c C 1.890 176.068 174.090 0.146 0.000 1.274 168 c CA 2.751 59.149 56.329 0.114 0.000 1.713 168 c CB -1.842 40.740 42.510 0.120 0.000 2.039 168 c HN -0.313 7.834 8.230 0.061 0.120 0.484 169 K N -0.647 119.821 120.400 0.112 0.000 2.148 169 K HA -0.306 4.115 4.320 0.169 0.000 0.204 169 K C 2.199 178.848 176.600 0.081 0.000 1.050 169 K CA 3.080 59.437 56.287 0.118 0.000 0.942 169 K CB -0.062 32.490 32.500 0.087 0.000 0.724 169 K HN 0.216 8.520 8.250 0.091 0.000 0.446 170 S N -1.170 114.553 115.700 0.039 0.000 2.406 170 S HA -0.202 4.278 4.470 0.016 0.000 0.228 170 S C 1.053 175.625 174.600 -0.046 0.000 1.020 170 S CA 2.610 60.813 58.200 0.004 0.000 0.965 170 S CB -0.383 62.813 63.200 -0.006 0.000 0.798 170 S HN -0.168 8.149 8.310 0.038 0.016 0.488 171 A N -0.635 122.124 122.820 -0.102 0.000 1.968 171 A HA -0.048 4.109 4.320 -0.272 0.000 0.217 171 A C -0.832 176.472 177.584 -0.466 0.000 1.169 171 A CA 1.809 53.642 52.037 -0.341 0.000 0.638 171 A CB 0.933 19.625 19.000 -0.514 0.000 0.812 171 A HN -0.736 7.283 8.150 -0.047 0.103 0.446 172 Y N -5.095 115.241 120.300 0.060 0.000 2.658 172 Y HA 0.523 5.144 4.550 0.119 0.000 0.362 172 Y C -2.548 173.415 175.900 0.105 0.000 1.017 172 Y CA -3.187 54.983 58.100 0.116 0.000 1.134 172 Y CB -0.037 38.543 38.460 0.200 0.000 1.144 172 Y HN -0.520 7.729 8.280 0.090 0.085 0.655 173 P HA -0.029 4.567 4.420 0.107 -0.112 0.264 173 P C 0.819 178.189 177.300 0.116 0.000 1.193 173 P CA 0.867 64.035 63.100 0.113 0.000 0.763 173 P CB 0.194 31.934 31.700 0.066 0.000 0.810 174 G N 3.878 112.736 108.800 0.097 0.000 2.175 174 G HA2 -0.373 3.623 3.960 0.061 0.000 0.265 174 G HA3 -0.373 3.620 3.960 0.056 0.000 0.265 174 G C 0.128 175.077 174.900 0.083 0.000 0.979 174 G CA 0.849 45.993 45.100 0.073 0.000 0.663 174 G HN 0.538 8.884 8.290 0.092 0.000 0.533 175 Q N -2.128 117.757 119.800 0.143 0.000 2.316 175 Q HA 0.078 4.450 4.340 0.054 0.000 0.235 175 Q C -0.259 175.868 176.000 0.211 0.000 0.863 175 Q CA -0.108 55.783 55.803 0.147 0.000 0.939 175 Q CB 1.601 30.470 28.738 0.218 0.000 1.108 175 Q HN -0.365 7.946 8.270 0.185 0.070 0.522 176 I N 0.025 120.723 120.570 0.212 0.000 2.353 176 I HA 0.020 4.339 4.170 0.248 0.000 0.293 176 I C -0.037 176.158 176.117 0.130 0.000 0.992 176 I CA -2.011 59.405 61.300 0.193 0.000 1.268 176 I CB -0.633 37.468 38.000 0.169 0.000 1.387 176 I HN -0.596 7.732 8.210 0.196 0.000 0.478 177 T N 2.184 116.812 114.554 0.124 0.000 2.919 177 T HA 0.397 4.790 4.350 0.072 0.000 0.282 177 T C 0.815 175.568 174.700 0.088 0.000 1.020 177 T CA -2.194 59.958 62.100 0.087 0.000 0.994 177 T CB 2.700 71.611 68.868 0.072 0.000 1.180 177 T HN -0.392 7.938 8.240 0.150 0.000 0.566 178 S N -1.892 113.846 115.700 0.064 0.000 2.555 178 S HA -0.214 4.298 4.470 0.069 0.000 0.230 178 S C 0.242 174.884 174.600 0.071 0.000 0.978 178 S CA 1.906 60.140 58.200 0.058 0.000 0.934 178 S CB -0.286 62.929 63.200 0.026 0.000 0.766 178 S HN 0.273 8.612 8.310 0.049 0.000 0.533 179 N N 0.586 119.340 118.700 0.090 0.000 2.276 179 N HA 0.190 4.988 4.740 0.097 0.000 0.212 179 N C -1.707 173.920 175.510 0.194 0.000 1.127 179 N CA -0.394 52.737 53.050 0.135 0.000 0.834 179 N CB 0.820 39.410 38.487 0.171 0.000 1.014 179 N HN -0.549 7.807 8.380 0.088 0.077 0.491 180 M N -1.327 118.375 119.600 0.169 0.000 2.593 180 M HA 0.770 5.500 4.480 0.086 -0.199 0.290 180 M C -2.239 174.172 176.300 0.185 0.000 1.244 180 M CA -0.337 55.037 55.300 0.124 0.000 0.857 180 M CB 5.093 37.746 32.600 0.089 0.000 1.738 180 M HN -0.770 7.519 8.290 0.151 0.092 0.461 181 F N -4.796 115.197 119.950 0.071 0.000 2.645 181 F HA 0.616 5.170 4.527 0.045 0.000 0.310 181 F C -2.661 173.193 175.800 0.090 0.000 1.102 181 F CA -2.063 55.976 58.000 0.065 0.000 0.952 181 F CB 2.233 41.270 39.000 0.060 0.000 1.326 181 F HN 0.229 8.372 8.300 -0.261 0.000 0.456 182 c N 0.014 118.788 118.600 0.289 0.000 2.391 182 c HA 1.005 5.841 4.570 0.108 -0.200 0.339 182 c C -1.015 173.278 174.090 0.339 0.000 1.205 182 c CA -1.044 55.407 56.329 0.203 0.000 1.937 182 c CB 2.640 45.223 42.510 0.122 0.000 2.341 182 c HN 0.859 9.291 8.230 0.337 0.000 0.516 183 A N 3.325 126.327 122.820 0.304 0.000 2.499 183 A HA 0.672 5.185 4.320 0.080 -0.145 0.280 183 A C -2.264 175.369 177.584 0.082 0.000 1.135 183 A CA -0.584 51.534 52.037 0.134 0.000 0.744 183 A CB 2.619 21.588 19.000 -0.051 0.000 1.213 183 A HN 0.291 8.668 8.150 0.379 0.000 0.434 184 Y N 2.689 123.021 120.300 0.054 0.000 2.365 184 Y HA -0.074 4.496 4.550 0.033 0.000 0.340 184 Y C 1.139 177.056 175.900 0.028 0.000 1.016 184 Y CA -0.993 57.129 58.100 0.036 0.000 1.196 184 Y CB 0.580 39.058 38.460 0.031 0.000 1.167 184 Y HN 0.324 8.731 8.280 0.213 0.000 0.509 185 L N 4.274 125.569 121.223 0.119 0.000 2.362 185 L HA -0.340 4.032 4.340 0.053 0.000 0.219 185 L C 1.268 178.183 176.870 0.074 0.000 1.134 185 L CA 2.239 57.120 54.840 0.069 0.000 0.807 185 L CB -0.495 41.585 42.059 0.035 0.000 0.927 185 L HN 0.520 8.805 8.230 0.090 0.000 0.447 186 E N -1.956 118.307 120.200 0.106 0.000 2.274 186 E HA -0.153 4.225 4.350 0.047 0.000 0.194 186 E C 0.462 177.098 176.600 0.060 0.000 0.996 186 E CA 0.184 56.625 56.400 0.069 0.000 0.840 186 E CB -0.104 29.634 29.700 0.063 0.000 0.772 186 E HN 0.124 8.537 8.360 0.156 0.040 0.491 187 G N 0.642 109.497 108.800 0.092 0.000 3.436 187 G HA2 -0.387 3.714 3.960 0.091 0.000 0.685 187 G HA3 -0.387 3.637 3.960 0.047 -0.036 0.685 187 G C -0.716 174.210 174.900 0.043 0.000 1.039 187 G CA -0.462 44.681 45.100 0.071 0.000 0.879 187 G HN -0.562 7.659 8.290 0.146 0.156 0.478 188 K N 2.243 122.642 120.400 -0.001 0.000 5.839 188 K HA -0.590 3.994 4.320 0.019 -0.253 0.640 188 K C -1.174 175.525 176.600 0.165 0.000 2.290 188 K CA 1.025 57.336 56.287 0.040 0.000 1.667 188 K CB 0.146 32.599 32.500 -0.079 0.000 1.869 188 K HN 0.297 8.568 8.250 0.035 0.000 0.270 189 D N 0.468 120.945 120.400 0.128 0.000 2.764 189 D HA 0.260 5.017 4.640 0.195 0.000 0.293 189 D C -1.886 174.480 176.300 0.110 0.000 1.287 189 D CA -0.607 53.480 54.000 0.145 0.000 0.768 189 D CB 3.756 44.624 40.800 0.115 0.000 1.288 189 D HN 0.066 8.487 8.370 0.085 0.000 0.426 190 S N -1.509 114.270 115.700 0.133 0.000 2.713 190 S HA 0.299 4.879 4.470 0.083 -0.061 0.277 190 S C -1.421 173.219 174.600 0.066 0.000 1.168 190 S CA -0.344 57.922 58.200 0.110 0.000 0.994 190 S CB 1.762 65.070 63.200 0.180 0.000 1.054 190 S HN 0.248 8.659 8.310 0.167 0.000 0.555 191 c N -1.717 116.923 118.600 0.066 0.000 3.272 191 c HA 0.172 4.773 4.570 0.051 0.000 0.363 191 c C -1.249 172.904 174.090 0.104 0.000 1.514 191 c CA -0.545 55.819 56.329 0.059 0.000 1.185 191 c CB 2.648 45.172 42.510 0.022 0.000 1.716 191 c HN 0.179 8.681 8.230 0.084 -0.222 0.440 192 Q N 1.280 121.152 119.800 0.119 0.000 2.304 192 Q HA -0.310 4.146 4.340 0.193 0.000 0.301 192 Q C 1.085 177.256 176.000 0.286 0.000 1.063 192 Q CA 2.187 58.108 55.803 0.195 0.000 0.947 192 Q CB 0.064 28.927 28.738 0.208 0.000 1.201 192 Q HN 0.510 8.834 8.270 0.089 0.000 0.389 193 G N 3.744 112.741 108.800 0.328 0.000 2.258 193 G HA2 -0.405 3.789 3.960 0.389 0.000 0.233 193 G HA3 -0.405 3.911 3.960 0.593 0.000 0.233 193 G C 0.197 175.338 174.900 0.402 0.000 1.006 193 G CA 0.673 46.035 45.100 0.437 0.000 0.620 193 G HN 0.869 9.332 8.290 0.287 0.000 0.511 194 D N 1.264 121.831 120.400 0.278 0.000 2.354 194 D HA 0.082 4.876 4.640 0.256 0.000 0.209 194 D C 0.054 176.474 176.300 0.199 0.000 1.015 194 D CA 0.656 54.790 54.000 0.223 0.000 0.867 194 D CB 0.357 41.249 40.800 0.153 0.000 0.933 194 D HN 0.076 8.485 8.370 0.241 0.106 0.520 195 S N -0.732 115.095 115.700 0.211 0.000 2.599 195 S HA -0.535 4.215 4.470 0.240 -0.136 0.303 195 S C 1.206 175.853 174.600 0.078 0.000 1.267 195 S CA 2.880 61.204 58.200 0.206 0.000 1.055 195 S CB -0.075 63.319 63.200 0.324 0.000 0.790 195 S HN -0.394 8.016 8.310 0.237 0.042 0.500 196 G N 4.288 113.118 108.800 0.050 0.000 2.234 196 G HA2 -0.464 3.557 3.960 -0.007 0.000 0.260 196 G HA3 -0.464 3.583 3.960 -0.044 -0.113 0.260 196 G C -0.338 174.609 174.900 0.078 0.000 0.987 196 G CA 0.332 45.438 45.100 0.011 0.000 0.625 196 G HN 0.744 9.100 8.290 0.110 0.000 0.532 197 G N 0.837 109.708 108.800 0.119 0.000 2.599 197 G HA2 0.304 4.347 3.960 0.138 0.000 0.264 197 G HA3 0.304 4.346 3.960 0.136 0.000 0.264 197 G C -2.590 172.400 174.900 0.150 0.000 1.200 197 G CA -2.005 43.178 45.100 0.137 0.000 0.896 197 G HN -0.398 7.875 8.290 0.129 0.094 0.536 198 P HA 0.325 4.961 4.420 0.140 -0.132 0.281 198 P C -1.554 175.818 177.300 0.119 0.000 1.249 198 P CA -0.781 62.414 63.100 0.159 0.000 0.810 198 P CB 1.569 33.417 31.700 0.247 0.000 1.008 199 V N 1.924 121.888 119.914 0.083 0.000 2.419 199 V HA 0.323 4.621 4.120 -0.003 -0.180 0.287 199 V C -1.279 174.830 176.094 0.024 0.000 1.017 199 V CA -0.487 61.824 62.300 0.018 0.000 0.844 199 V CB 1.937 33.742 31.823 -0.030 0.000 1.011 199 V HN -0.223 8.022 8.190 0.091 0.000 0.429 200 V N 8.074 127.993 119.914 0.007 0.000 2.417 200 V HA 0.663 4.942 4.120 -0.062 -0.196 0.291 200 V C -1.279 174.796 176.094 -0.031 0.000 1.024 200 V CA -1.276 60.999 62.300 -0.041 0.000 0.861 200 V CB 2.833 34.603 31.823 -0.088 0.000 0.985 200 V HN 0.603 8.811 8.190 0.029 0.000 0.436 201 c N 6.525 125.094 118.600 -0.051 0.000 2.431 201 c HA 0.602 5.148 4.570 -0.039 0.000 0.321 201 c C 0.571 174.630 174.090 -0.053 0.000 1.202 201 c CA -1.715 54.582 56.329 -0.054 0.000 1.398 201 c CB 1.921 44.379 42.510 -0.088 0.000 2.047 201 c HN 0.659 8.853 8.230 -0.060 0.000 0.465 202 S N 4.170 119.847 115.700 -0.038 0.000 3.549 202 S HA -0.461 3.995 4.470 -0.023 0.000 0.366 202 S C 0.179 174.758 174.600 -0.035 0.000 1.012 202 S CA 1.062 59.242 58.200 -0.033 0.000 1.141 202 S CB -1.235 61.942 63.200 -0.039 0.000 0.910 202 S HN 1.161 9.452 8.310 -0.030 0.000 0.471 203 G N -4.932 103.846 108.800 -0.037 0.000 2.162 203 G HA2 -0.451 3.481 3.960 -0.047 0.000 0.260 203 G HA3 -0.451 3.489 3.960 -0.034 0.000 0.260 203 G C -0.810 174.043 174.900 -0.079 0.000 0.976 203 G CA 0.437 45.508 45.100 -0.048 0.000 0.655 203 G HN 0.371 8.627 8.290 -0.030 0.016 0.533 210 Q N 1.150 120.976 119.800 0.045 0.000 2.392 210 Q HA 0.254 4.645 4.340 0.084 0.000 0.219 210 Q C -0.302 175.876 176.000 0.296 0.000 0.895 210 Q CA 0.210 56.070 55.803 0.094 0.000 0.929 210 Q CB 2.696 31.411 28.738 -0.038 0.000 1.077 210 Q HN 0.451 8.736 8.270 0.025 0.000 0.532 211 G N -2.984 105.991 108.800 0.292 0.000 2.695 211 G HA2 0.579 5.013 3.960 0.375 0.000 0.290 211 G HA3 0.579 4.777 3.960 0.396 0.000 0.290 211 G C -3.275 171.747 174.900 0.203 0.000 1.410 211 G CA -0.498 44.803 45.100 0.336 0.000 0.844 211 G HN -0.364 8.035 8.290 0.181 0.000 0.478 212 I N -1.399 119.288 120.570 0.195 0.000 2.498 212 I HA 0.552 5.044 4.170 0.171 -0.220 0.290 212 I C -0.451 175.798 176.117 0.220 0.000 1.032 212 I CA -1.380 60.023 61.300 0.173 0.000 1.073 212 I CB 4.319 42.382 38.000 0.106 0.000 1.251 212 I HN -0.411 7.977 8.210 0.171 -0.075 0.426 213 V N 7.558 127.615 119.914 0.239 0.000 2.458 213 V HA -0.241 3.909 4.120 0.050 0.000 0.287 213 V C -1.037 175.105 176.094 0.080 0.000 1.009 213 V CA 2.061 64.449 62.300 0.146 0.000 1.091 213 V CB -1.062 30.871 31.823 0.184 0.000 0.960 213 V HN 0.413 8.732 8.190 0.215 0.000 0.476 214 S N 7.666 123.308 115.700 -0.095 0.000 3.066 214 S HA 0.409 5.097 4.470 0.363 0.000 0.235 214 S C -0.809 173.842 174.600 0.084 0.000 0.995 214 S CA 0.894 59.161 58.200 0.112 0.000 0.835 214 S CB 1.787 65.049 63.200 0.104 0.000 0.814 214 S HN -0.087 7.961 8.310 -0.436 0.000 0.594 215 W N -3.532 117.582 121.300 -0.309 0.000 2.871 215 W HA 0.287 4.799 4.660 -0.245 0.000 0.416 215 W C -2.914 173.421 176.519 -0.307 0.000 1.108 215 W CA -0.316 56.855 57.345 -0.290 0.000 1.179 215 W CB 0.706 29.997 29.460 -0.282 0.000 1.479 215 W HN -0.095 7.778 8.180 -0.511 0.000 0.598 216 G N -2.522 106.314 108.800 0.060 0.000 2.325 216 G HA2 0.187 3.863 3.960 -0.473 0.000 0.295 216 G HA3 0.187 4.073 3.960 -0.123 0.000 0.295 216 G C -2.236 172.780 174.900 0.193 0.000 1.274 216 G CA 0.129 45.168 45.100 -0.102 0.000 0.857 216 G HN -0.006 8.500 8.290 0.360 0.000 0.499 220 c N 1.445 120.077 118.600 0.052 0.000 3.359 220 c HA 0.262 4.998 4.570 0.051 -0.135 0.194 220 c C -1.541 172.576 174.090 0.044 0.000 1.659 220 c CA -0.818 55.539 56.329 0.046 0.000 1.338 220 c CB -1.175 41.354 42.510 0.032 0.000 2.109 220 c HN 0.386 8.644 8.230 0.046 0.000 0.518 221 Q N -1.833 117.996 119.800 0.050 0.000 2.939 221 Q HA 0.122 4.480 4.340 0.031 0.000 0.274 221 Q C -2.164 173.857 176.000 0.034 0.000 0.941 221 Q CA -0.499 55.327 55.803 0.037 0.000 0.824 221 Q CB 3.256 32.015 28.738 0.036 0.000 1.779 221 Q HN 0.185 8.489 8.270 0.057 0.000 0.470 222 K N 2.303 122.716 120.400 0.022 0.000 2.326 222 K HA -0.338 4.122 4.320 0.032 -0.120 0.275 222 K C 0.136 176.734 176.600 -0.004 0.000 1.018 222 K CA 1.524 57.821 56.287 0.017 0.000 0.962 222 K CB 0.182 32.690 32.500 0.012 0.000 0.953 222 K HN 0.235 8.496 8.250 0.019 0.000 0.475 223 N N 2.603 121.298 118.700 -0.008 0.000 2.693 223 N HA -0.478 4.240 4.740 -0.036 0.000 0.249 223 N C -1.602 173.840 175.510 -0.113 0.000 1.119 223 N CA 1.906 54.927 53.050 -0.049 0.000 0.717 223 N CB -0.868 37.584 38.487 -0.059 0.000 1.071 223 N HN 0.800 9.065 8.380 0.013 0.122 0.555 224 K N -1.579 118.784 120.400 -0.062 0.000 2.842 224 K HA 0.523 4.678 4.320 -0.275 0.000 0.176 224 K C -2.433 174.210 176.600 0.071 0.000 1.080 224 K CA -3.736 52.511 56.287 -0.066 0.000 0.954 224 K CB 0.483 32.989 32.500 0.011 0.000 1.203 224 K HN -0.792 7.403 8.250 -0.009 0.049 0.611 225 P HA -0.032 4.449 4.420 0.101 0.000 0.273 225 P C -0.695 176.647 177.300 0.070 0.000 1.250 225 P CA -0.430 62.733 63.100 0.105 0.000 0.793 225 P CB 1.179 32.933 31.700 0.090 0.000 1.011 226 G N -2.202 106.611 108.800 0.022 0.000 2.503 226 G HA2 0.284 4.058 3.960 -0.310 0.000 0.257 226 G HA3 0.284 4.189 3.960 -0.220 -0.077 0.257 226 G C -1.781 172.799 174.900 -0.533 0.000 1.214 226 G CA -0.630 44.316 45.100 -0.257 0.000 0.839 226 G HN -0.350 8.011 8.290 0.119 0.000 0.559 227 V N 1.792 121.073 119.914 -1.056 0.000 2.513 227 V HA 0.591 4.445 4.120 -0.713 -0.162 0.299 227 V C -0.931 174.388 176.094 -1.291 0.000 1.035 227 V CA -0.971 60.644 62.300 -1.142 0.000 0.889 227 V CB 2.001 32.688 31.823 -1.893 0.000 0.988 227 V HN 0.477 8.028 8.190 -1.064 0.000 0.440 228 Y N 5.079 124.978 120.300 -0.668 0.000 2.485 228 Y HA 0.606 5.086 4.550 -0.369 -0.152 0.345 228 Y C 0.304 175.911 175.900 -0.488 0.000 0.998 228 Y CA -2.319 55.398 58.100 -0.638 0.000 1.059 228 Y CB 3.672 41.485 38.460 -1.080 0.000 1.234 228 Y HN 1.064 8.965 8.280 -0.633 0.000 0.461 229 T N 4.837 119.353 114.554 -0.063 0.000 2.901 229 T HA -0.019 4.526 4.350 0.098 -0.136 0.301 229 T C -0.660 174.162 174.700 0.203 0.000 1.012 229 T CA 1.663 63.810 62.100 0.078 0.000 1.135 229 T CB 0.514 69.422 68.868 0.066 0.000 0.936 229 T HN 0.455 8.692 8.240 -0.006 0.000 0.539 230 K N 8.228 128.836 120.400 0.345 0.000 2.150 230 K HA 0.207 4.946 4.320 0.698 0.000 0.261 230 K C 0.870 177.724 176.600 0.423 0.000 1.127 230 K CA -1.097 55.479 56.287 0.480 0.000 0.989 230 K CB -0.263 32.479 32.500 0.404 0.000 1.475 230 K HN 0.058 8.405 8.250 0.323 0.097 0.391 231 V N 5.512 125.664 119.914 0.397 0.000 2.380 231 V HA -0.541 3.897 4.120 0.530 0.000 0.251 231 V C 1.436 177.697 176.094 0.279 0.000 1.063 231 V CA 3.726 66.251 62.300 0.375 0.000 1.055 231 V CB -0.301 31.668 31.823 0.244 0.000 0.657 231 V HN 0.163 8.593 8.190 0.400 0.000 0.455 232 c N -3.955 114.743 118.600 0.164 0.000 2.409 232 c HA -0.208 4.407 4.570 0.075 0.000 0.284 232 c C 1.527 175.630 174.090 0.022 0.000 1.354 232 c CA 1.509 57.883 56.329 0.073 0.000 1.787 232 c CB -2.102 40.423 42.510 0.025 0.000 1.900 232 c HN 0.478 8.786 8.230 0.170 0.023 0.520 233 N N 0.116 118.789 118.700 -0.045 0.000 2.463 233 N HA -0.061 4.576 4.740 -0.171 0.000 0.181 233 N C 0.006 175.263 175.510 -0.422 0.000 1.078 233 N CA 1.124 54.004 53.050 -0.282 0.000 0.902 233 N CB -0.044 38.143 38.487 -0.501 0.000 0.970 233 N HN -0.384 7.972 8.380 0.035 0.044 0.451 234 Y N -4.852 115.527 120.300 0.130 0.000 2.531 234 Y HA 0.129 4.835 4.550 0.260 0.000 0.249 234 Y C 0.387 176.432 175.900 0.242 0.000 1.168 234 Y CA -0.550 57.690 58.100 0.233 0.000 1.226 234 Y CB -0.180 38.450 38.460 0.283 0.000 1.177 234 Y HN -0.138 8.049 8.280 0.155 0.186 0.527 235 V N 0.766 120.818 119.914 0.230 0.000 2.332 235 V HA -0.553 3.655 4.120 0.146 0.000 0.248 235 V C 1.441 177.602 176.094 0.112 0.000 1.055 235 V CA 5.116 67.502 62.300 0.144 0.000 1.038 235 V CB -0.566 31.304 31.823 0.078 0.000 0.651 235 V HN -0.586 7.699 8.190 0.159 0.000 0.450 236 S N 0.168 115.940 115.700 0.120 0.000 2.368 236 S HA -0.321 4.171 4.470 0.037 0.000 0.225 236 S C 1.593 176.263 174.600 0.118 0.000 1.030 236 S CA 3.588 61.841 58.200 0.089 0.000 0.999 236 S CB -0.559 62.693 63.200 0.085 0.000 0.844 236 S HN 0.011 8.392 8.310 0.118 0.000 0.459 237 W N 3.592 124.932 121.300 0.067 0.000 2.358 237 W HA -0.262 4.417 4.660 0.031 0.000 0.303 237 W C 1.209 177.738 176.519 0.017 0.000 1.208 237 W CA 3.421 60.809 57.345 0.071 0.000 1.274 237 W CB -0.078 29.505 29.460 0.204 0.000 1.138 237 W HN -0.446 7.972 8.180 0.396 0.000 0.515 238 I N -0.645 119.858 120.570 -0.111 0.000 2.113 238 I HA -0.766 2.880 4.170 -0.873 0.000 0.238 238 I C 1.853 177.711 176.117 -0.432 0.000 1.070 238 I CA 4.565 65.609 61.300 -0.426 0.000 1.332 238 I CB -0.227 37.707 38.000 -0.109 0.000 1.044 238 I HN 0.281 8.639 8.210 0.247 0.000 0.402 239 K N -1.794 118.465 120.400 -0.234 0.000 2.063 239 K HA -0.490 3.680 4.320 -0.249 0.000 0.208 239 K C 2.603 179.055 176.600 -0.247 0.000 1.048 239 K CA 3.771 59.928 56.287 -0.217 0.000 0.928 239 K CB -0.426 32.008 32.500 -0.110 0.000 0.713 239 K HN -0.020 8.155 8.250 -0.124 0.000 0.442 240 Q N -1.494 118.171 119.800 -0.225 0.000 2.083 240 Q HA -0.273 3.979 4.340 -0.146 0.000 0.198 240 Q C 2.329 178.155 176.000 -0.290 0.000 0.969 240 Q CA 3.252 58.938 55.803 -0.195 0.000 0.838 240 Q CB -0.050 28.624 28.738 -0.107 0.000 0.900 240 Q HN 0.007 8.153 8.270 -0.192 0.009 0.436 241 T N 2.011 116.275 114.554 -0.484 0.000 2.737 241 T HA -0.308 3.828 4.350 -0.357 0.000 0.265 241 T C 2.442 176.796 174.700 -0.576 0.000 1.038 241 T CA 5.014 66.785 62.100 -0.549 0.000 1.144 241 T CB -0.176 68.135 68.868 -0.928 0.000 0.866 241 T HN -0.074 7.815 8.240 -0.585 0.000 0.434 242 I N -2.104 117.988 120.570 -0.797 0.000 2.493 242 I HA -0.217 3.070 4.170 -1.472 0.000 0.254 242 I C 1.292 177.177 176.117 -0.388 0.000 1.160 242 I CA 3.055 63.734 61.300 -1.034 0.000 1.445 242 I CB -0.667 36.507 38.000 -1.376 0.000 1.086 242 I HN 0.132 7.879 8.210 -0.772 0.000 0.433 243 A N -0.040 122.618 122.820 -0.271 0.000 2.119 243 A HA -0.065 4.215 4.320 -0.066 0.000 0.216 243 A C 0.828 178.377 177.584 -0.058 0.000 1.152 243 A CA 2.010 53.980 52.037 -0.113 0.000 0.708 243 A CB -0.421 18.519 19.000 -0.100 0.000 0.805 243 A HN -0.247 7.689 8.150 -0.322 0.020 0.460 244 S N -3.104 112.547 115.700 -0.081 0.000 2.568 244 S HA 0.134 4.600 4.470 -0.007 0.000 0.232 244 S C -0.976 173.642 174.600 0.030 0.000 0.975 244 S CA -0.078 58.107 58.200 -0.025 0.000 0.949 244 S CB 0.816 63.992 63.200 -0.041 0.000 0.829 244 S HN -0.506 7.561 8.310 -0.155 0.151 0.479 245 N N 0.000 118.754 118.700 0.090 0.000 1.763 245 N HA 0.000 4.829 4.740 0.149 0.000 0.220 245 N CA 0.000 53.184 53.050 0.222 0.000 0.885 245 N CB 0.000 38.684 38.487 0.328 0.000 1.341 245 N HN 0.000 8.354 8.380 0.063 0.064 0.667