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 1c1p_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 0.000 176.095 176.117 -0.037 0.000 1.063 16 I CA 0.000 61.282 61.300 -0.029 0.000 1.566 16 I CB 0.000 37.952 38.000 -0.080 0.000 1.214 17 V N 5.432 125.339 119.914 -0.011 0.000 2.459 17 V HA 0.270 4.508 4.120 -0.029 -0.135 0.295 17 V C 0.479 176.571 176.094 -0.003 0.000 1.029 17 V CA -1.680 60.612 62.300 -0.013 0.000 0.874 17 V CB 1.222 33.045 31.823 -0.000 0.000 0.985 17 V HN 0.812 9.010 8.190 0.013 0.000 0.438 18 G N 6.821 115.614 108.800 -0.011 0.000 2.160 18 G HA2 -0.392 3.562 3.960 -0.010 0.000 0.251 18 G HA3 -0.392 3.713 3.960 -0.021 -0.157 0.251 18 G C -0.694 174.212 174.900 0.011 0.000 1.008 18 G CA 0.493 45.587 45.100 -0.010 0.000 0.724 18 G HN 0.774 9.054 8.290 -0.016 0.000 0.514 19 G N -1.193 107.608 108.800 0.001 0.000 2.702 19 G HA2 0.543 4.530 3.960 0.080 0.000 0.254 19 G HA3 0.543 4.545 3.960 -0.113 -0.110 0.254 19 G C -1.800 173.133 174.900 0.055 0.000 1.380 19 G CA -1.116 43.982 45.100 -0.004 0.000 1.042 19 G HN -0.657 7.589 8.290 -0.020 0.032 0.557 20 Y N -6.117 114.163 120.300 -0.033 0.000 2.638 20 Y HA 0.406 4.938 4.550 -0.031 0.000 0.339 20 Y C -1.866 174.007 175.900 -0.046 0.000 1.084 20 Y CA -2.749 55.330 58.100 -0.034 0.000 1.068 20 Y CB 1.222 39.665 38.460 -0.028 0.000 1.294 20 Y HN 0.297 8.194 8.280 -0.638 0.000 0.480 21 T N 2.837 117.453 114.554 0.102 0.000 2.799 21 T HA -0.002 4.428 4.350 -0.099 -0.139 0.296 21 T C 0.320 175.064 174.700 0.072 0.000 0.947 21 T CA 1.704 63.809 62.100 0.008 0.000 1.141 21 T CB -0.138 68.757 68.868 0.046 0.000 0.891 21 T HN 0.186 8.540 8.240 0.189 0.000 0.533 22 c N 6.376 124.917 118.600 -0.099 0.000 2.413 22 c HA -0.083 4.523 4.570 0.060 0.000 0.277 22 c C 0.471 174.592 174.090 0.052 0.000 1.228 22 c CA 0.767 57.076 56.329 -0.035 0.000 1.731 22 c CB -0.470 41.942 42.510 -0.163 0.000 2.042 22 c HN 0.477 8.588 8.230 -0.197 0.000 0.468 23 G N -2.451 106.354 108.800 0.007 0.000 2.592 23 G HA2 -0.179 3.796 3.960 0.026 0.000 0.685 23 G HA3 -0.179 3.800 3.960 0.031 0.000 0.685 23 G C -1.881 173.018 174.900 -0.002 0.000 1.278 23 G CA -0.959 44.153 45.100 0.020 0.000 0.822 23 G HN -0.385 7.888 8.290 -0.030 0.000 0.652 24 A N 3.010 125.837 122.820 0.012 0.000 2.545 24 A HA -0.216 4.272 4.320 0.026 -0.152 0.253 24 A C -0.236 177.351 177.584 0.005 0.000 1.074 24 A CA 1.019 53.066 52.037 0.018 0.000 0.760 24 A CB -0.020 18.996 19.000 0.027 0.000 1.005 24 A HN 0.299 8.460 8.150 0.019 0.000 0.506 25 N N -2.336 116.364 118.700 -0.000 0.000 2.708 25 N HA -0.388 4.337 4.740 -0.025 0.000 0.249 25 N C 0.264 175.751 175.510 -0.039 0.000 1.097 25 N CA 1.506 54.546 53.050 -0.017 0.000 0.710 25 N CB -1.183 37.306 38.487 0.003 0.000 1.032 25 N HN 0.529 8.917 8.380 0.013 0.000 0.551 26 T N -4.178 110.344 114.554 -0.054 0.000 3.100 26 T HA -0.031 4.306 4.350 -0.022 0.000 0.253 26 T C -0.537 174.103 174.700 -0.100 0.000 1.118 26 T CA 1.115 63.189 62.100 -0.044 0.000 1.058 26 T CB 0.694 69.555 68.868 -0.012 0.000 0.953 26 T HN -0.447 7.734 8.240 -0.058 0.024 0.515 27 V N 2.101 121.891 119.914 -0.206 0.000 2.320 27 V HA 0.358 4.202 4.120 -0.460 0.000 0.257 27 V C -1.747 174.016 176.094 -0.553 0.000 0.996 27 V CA -3.304 58.714 62.300 -0.470 0.000 0.928 27 V CB 1.022 32.558 31.823 -0.479 0.000 1.169 27 V HN -0.434 7.585 8.190 -0.177 0.065 0.475 28 P HA 0.057 4.506 4.420 -0.104 -0.091 0.226 28 P C 0.189 177.430 177.300 -0.099 0.000 1.153 28 P CA 1.566 64.579 63.100 -0.144 0.000 0.777 28 P CB 0.077 31.770 31.700 -0.012 0.000 0.794 29 Y N -6.540 113.786 120.300 0.042 0.000 2.466 29 Y HA 0.489 5.240 4.550 0.057 -0.166 0.272 29 Y C -0.576 175.363 175.900 0.064 0.000 1.169 29 Y CA -3.570 54.562 58.100 0.052 0.000 1.285 29 Y CB -1.337 37.149 38.460 0.043 0.000 1.078 29 Y HN -0.411 7.287 8.280 -0.875 0.057 0.523 30 Q N 2.663 122.350 119.800 -0.189 0.000 2.304 30 Q HA 0.223 4.763 4.340 0.113 -0.132 0.260 30 Q C -0.328 175.761 176.000 0.149 0.000 0.965 30 Q CA -0.030 55.768 55.803 -0.008 0.000 0.898 30 Q CB 1.227 29.851 28.738 -0.189 0.000 1.196 30 Q HN -0.628 7.301 8.270 -0.458 0.066 0.402 31 V N 1.097 121.135 119.914 0.207 0.000 2.960 31 V HA 0.819 5.194 4.120 0.200 -0.134 0.315 31 V C -1.810 174.441 176.094 0.261 0.000 1.087 31 V CA -3.006 59.413 62.300 0.199 0.000 0.982 31 V CB 3.934 35.823 31.823 0.110 0.000 1.039 31 V HN 0.434 8.742 8.190 0.197 0.000 0.437 32 S N 2.098 117.865 115.700 0.111 0.000 2.473 32 S HA 0.407 5.107 4.470 0.193 -0.114 0.307 32 S C -1.199 173.298 174.600 -0.172 0.000 1.094 32 S CA -1.773 56.425 58.200 -0.003 0.000 1.070 32 S CB 1.635 64.620 63.200 -0.359 0.000 1.019 32 S HN 0.159 8.501 8.310 0.052 0.000 0.480 33 L N 6.461 127.456 121.223 -0.380 0.000 2.275 33 L HA 0.568 4.855 4.340 -0.312 -0.134 0.288 33 L C -1.503 174.974 176.870 -0.654 0.000 1.046 33 L CA -0.893 53.615 54.840 -0.554 0.000 0.805 33 L CB 0.866 42.382 42.059 -0.904 0.000 1.193 33 L HN 0.886 8.850 8.230 -0.444 0.000 0.426 38 G N 0.293 108.869 108.800 -0.373 0.000 2.218 38 G HA2 -0.268 3.630 3.960 -0.103 0.000 0.216 38 G HA3 -0.268 3.671 3.960 -0.034 0.000 0.216 38 G C -1.761 173.132 174.900 -0.012 0.000 0.994 38 G CA 0.268 45.281 45.100 -0.145 0.000 0.637 38 G HN 0.259 8.652 8.290 -0.317 -0.293 0.505 39 Y N -7.053 113.225 120.300 -0.037 0.000 2.702 39 Y HA 0.223 4.739 4.550 -0.057 0.000 0.336 39 Y C -2.469 173.447 175.900 0.026 0.000 1.203 39 Y CA -3.530 54.554 58.100 -0.026 0.000 1.072 39 Y CB 0.836 39.280 38.460 -0.026 0.000 1.327 39 Y HN -1.260 6.561 8.280 -0.764 0.000 0.456 40 H N 2.428 121.500 119.070 0.005 0.000 2.803 40 H HA 0.005 4.582 4.556 -0.243 -0.166 0.330 40 H C -0.374 175.029 175.328 0.126 0.000 1.057 40 H CA -0.168 55.819 56.048 -0.102 0.000 1.458 40 H CB 0.390 30.036 29.762 -0.193 0.000 1.470 40 H HN 0.287 8.690 8.280 0.205 0.000 0.560 41 F N 2.376 121.950 119.950 -0.627 0.000 2.876 41 F HA 0.326 4.778 4.527 -0.126 0.000 0.344 41 F C -1.552 174.010 175.800 -0.396 0.000 1.029 41 F CA -0.706 57.101 58.000 -0.321 0.000 1.154 41 F CB 1.561 40.503 39.000 -0.096 0.000 1.040 41 F HN 0.059 7.704 8.300 -1.093 0.000 0.576 42 c N -1.394 116.502 118.600 -1.173 0.000 3.312 42 c HA 0.337 4.819 4.570 -0.224 -0.047 0.332 42 c C -1.692 172.187 174.090 -0.352 0.000 1.340 42 c CA -0.164 55.828 56.329 -0.563 0.000 1.265 42 c CB 4.050 46.291 42.510 -0.449 0.000 1.563 42 c HN -0.803 6.439 8.230 -1.647 0.000 0.471 43 G N -0.781 108.012 108.800 -0.013 0.000 2.552 43 G HA2 0.788 5.073 3.960 0.255 0.000 0.318 43 G HA3 0.788 4.882 3.960 0.222 0.000 0.318 43 G C -2.462 172.465 174.900 0.045 0.000 1.240 43 G CA -1.524 43.668 45.100 0.152 0.000 1.002 43 G HN 0.785 9.076 8.290 0.001 0.000 0.493 44 G N -3.838 105.024 108.800 0.102 0.000 2.559 44 G HA2 0.599 4.864 3.960 0.073 0.000 0.291 44 G HA3 0.599 4.592 3.960 0.055 0.000 0.291 44 G C -2.898 172.089 174.900 0.144 0.000 1.424 44 G CA 0.142 45.294 45.100 0.086 0.000 0.786 44 G HN -0.513 7.875 8.290 0.163 0.000 0.485 45 S N -0.576 115.213 115.700 0.148 0.000 2.521 45 S HA 0.874 5.715 4.470 0.271 -0.209 0.295 45 S C -1.465 173.236 174.600 0.168 0.000 1.098 45 S CA -0.902 57.417 58.200 0.199 0.000 0.999 45 S CB 3.902 67.201 63.200 0.165 0.000 1.034 45 S HN 0.398 8.781 8.310 0.123 0.000 0.483 46 L N 5.845 127.184 121.223 0.193 0.000 2.281 46 L HA 0.278 4.823 4.340 0.144 -0.119 0.285 46 L C -0.658 176.295 176.870 0.139 0.000 1.074 46 L CA -0.491 54.443 54.840 0.157 0.000 0.817 46 L CB 1.299 43.450 42.059 0.152 0.000 1.168 46 L HN 0.399 8.783 8.230 0.257 0.000 0.434 47 I N 0.085 120.734 120.570 0.132 0.000 3.941 47 I HA 0.423 4.788 4.170 0.065 -0.156 0.321 47 I C -0.848 175.328 176.117 0.097 0.000 1.284 47 I CA -0.392 60.964 61.300 0.094 0.000 1.226 47 I CB 0.685 38.730 38.000 0.076 0.000 1.045 47 I HN 0.335 8.640 8.210 0.159 0.000 0.420 48 N N -2.144 116.635 118.700 0.132 0.000 3.355 48 N HA 0.044 4.839 4.740 0.092 0.000 0.238 48 N C -0.636 174.949 175.510 0.125 0.000 1.466 48 N CA -0.373 52.750 53.050 0.121 0.000 0.882 48 N CB 0.964 39.527 38.487 0.128 0.000 1.406 48 N HN -0.872 7.600 8.380 0.154 0.000 0.500 49 S N -1.761 113.997 115.700 0.097 0.000 2.440 49 S HA -0.368 4.137 4.470 0.058 0.000 0.240 49 S C 0.881 175.504 174.600 0.038 0.000 1.014 49 S CA 2.667 60.906 58.200 0.065 0.000 0.980 49 S CB 0.063 63.291 63.200 0.047 0.000 0.775 49 S HN 0.491 8.854 8.310 0.089 0.000 0.499 50 Q N -2.668 117.166 119.800 0.057 0.000 2.189 50 Q HA 0.249 4.504 4.340 -0.141 0.000 0.223 50 Q C -1.049 174.756 176.000 -0.324 0.000 0.828 50 Q CA -0.021 55.710 55.803 -0.120 0.000 0.967 50 Q CB 1.261 29.925 28.738 -0.123 0.000 1.139 50 Q HN 0.017 8.328 8.270 0.147 0.046 0.497 51 W N -1.967 119.336 121.300 0.005 0.000 2.915 51 W HA 0.582 5.422 4.660 0.001 -0.180 0.337 51 W C -1.589 174.939 176.519 0.015 0.000 1.102 51 W CA -0.780 56.566 57.345 0.001 0.000 1.224 51 W CB 3.796 33.244 29.460 -0.020 0.000 1.416 51 W HN -0.499 7.819 8.180 0.229 0.000 0.503 52 V N 1.687 121.758 119.914 0.261 0.000 2.735 52 V HA 0.858 5.266 4.120 0.166 -0.189 0.310 52 V C -1.490 174.717 176.094 0.189 0.000 1.061 52 V CA -1.843 60.563 62.300 0.176 0.000 0.913 52 V CB 3.821 35.704 31.823 0.100 0.000 1.005 52 V HN 0.808 9.167 8.190 0.281 0.000 0.428 53 V N 1.820 121.822 119.914 0.147 0.000 2.628 53 V HA 1.021 5.400 4.120 0.153 -0.167 0.306 53 V C -1.703 174.450 176.094 0.099 0.000 1.045 53 V CA -2.830 59.548 62.300 0.131 0.000 0.905 53 V CB 2.506 34.398 31.823 0.115 0.000 0.997 53 V HN 0.530 8.802 8.190 0.135 0.000 0.436 54 S N 3.982 119.730 115.700 0.079 0.000 2.880 54 S HA 0.542 5.229 4.470 0.039 -0.192 0.308 54 S C -1.852 172.747 174.600 -0.003 0.000 1.195 54 S CA -2.270 55.949 58.200 0.032 0.000 0.866 54 S CB 2.298 65.503 63.200 0.009 0.000 1.254 54 S HN 0.614 8.981 8.310 0.096 0.000 0.571 55 A N -0.486 122.294 122.820 -0.067 0.000 2.306 55 A HA 0.444 4.867 4.320 -0.090 -0.156 0.314 55 A C 0.488 177.961 177.584 -0.185 0.000 1.164 55 A CA -1.492 50.466 52.037 -0.132 0.000 0.822 55 A CB 1.396 20.257 19.000 -0.232 0.000 1.130 55 A HN 0.305 8.406 8.150 -0.082 0.000 0.496 56 A N 5.120 127.773 122.820 -0.277 0.000 1.972 56 A HA -0.245 3.933 4.320 -0.237 0.000 0.219 56 A C 1.274 178.632 177.584 -0.376 0.000 1.169 56 A CA 2.793 54.549 52.037 -0.468 0.000 0.635 56 A CB -0.371 17.960 19.000 -1.113 0.000 0.810 56 A HN 0.627 8.644 8.150 -0.261 -0.023 0.446 57 H N -4.625 114.295 119.070 -0.250 0.000 2.563 57 H HA -0.066 4.540 4.556 0.083 0.000 0.272 57 H C 0.105 175.492 175.328 0.098 0.000 1.005 57 H CA 1.368 57.432 56.048 0.026 0.000 1.171 57 H CB -1.262 28.585 29.762 0.142 0.000 1.351 57 H HN 0.071 8.543 8.280 -0.178 -0.299 0.602 58 c N -1.452 117.071 118.600 -0.129 0.000 2.697 58 c HA 0.029 4.676 4.570 0.128 0.000 0.267 58 c C 0.297 174.485 174.090 0.164 0.000 1.278 58 c CA -0.039 56.319 56.329 0.048 0.000 1.708 58 c CB -1.663 40.840 42.510 -0.012 0.000 1.860 58 c HN -0.252 7.661 8.230 -0.204 0.194 0.589 59 Y N 2.480 122.788 120.300 0.015 0.000 2.610 59 Y HA -0.228 4.347 4.550 0.042 0.000 0.332 59 Y C -1.203 174.688 175.900 -0.015 0.000 1.201 59 Y CA 2.019 60.129 58.100 0.017 0.000 1.465 59 Y CB 0.584 39.040 38.460 -0.007 0.000 1.283 59 Y HN -0.581 7.607 8.280 0.165 0.191 0.563 60 K N 7.009 126.767 120.400 -1.070 0.000 2.575 60 K HA 0.149 3.933 4.320 -0.894 0.000 0.279 60 K C -2.178 173.900 176.600 -0.869 0.000 0.969 60 K CA -1.144 54.591 56.287 -0.919 0.000 0.868 60 K CB 4.044 36.152 32.500 -0.653 0.000 1.457 60 K HN 0.090 7.789 8.250 -0.918 0.000 0.426 61 S N -0.050 115.326 115.700 -0.541 0.000 2.578 61 S HA 0.124 4.464 4.470 -0.216 0.000 0.283 61 S C 0.831 175.312 174.600 -0.199 0.000 1.195 61 S CA -0.690 57.352 58.200 -0.263 0.000 1.050 61 S CB 0.603 63.733 63.200 -0.116 0.000 1.012 61 S HN -0.001 8.035 8.310 -0.458 0.000 0.511 62 G N 2.954 111.679 108.800 -0.125 0.000 2.341 62 G HA2 -0.220 3.692 3.960 -0.080 0.000 0.278 62 G HA3 -0.220 3.668 3.960 -0.120 0.000 0.278 62 G C -1.526 173.307 174.900 -0.112 0.000 1.111 62 G CA -0.045 44.989 45.100 -0.110 0.000 0.982 62 G HN 0.248 8.485 8.290 -0.089 0.000 0.502 63 I N -1.094 119.430 120.570 -0.075 0.000 2.437 63 I HA 0.161 4.450 4.170 -0.006 -0.123 0.298 63 I C -2.056 174.031 176.117 -0.050 0.000 0.984 63 I CA -1.301 59.983 61.300 -0.026 0.000 1.214 63 I CB 1.901 39.920 38.000 0.032 0.000 1.365 63 I HN -0.486 7.683 8.210 -0.068 0.000 0.469 64 Q N 5.635 125.393 119.800 -0.070 0.000 2.340 64 Q HA 0.444 4.845 4.340 -0.065 -0.101 0.268 64 Q C -1.770 174.164 176.000 -0.111 0.000 1.031 64 Q CA -1.409 54.339 55.803 -0.093 0.000 0.804 64 Q CB 3.863 32.516 28.738 -0.142 0.000 1.286 64 Q HN 0.318 8.550 8.270 -0.064 0.000 0.448 65 V N 7.233 127.105 119.914 -0.071 0.000 2.407 65 V HA 0.228 4.410 4.120 -0.090 -0.116 0.278 65 V C -1.271 174.814 176.094 -0.015 0.000 1.037 65 V CA -0.017 62.251 62.300 -0.054 0.000 0.900 65 V CB 0.954 32.764 31.823 -0.022 0.000 0.983 65 V HN 1.038 9.093 8.190 -0.046 0.108 0.459 66 R N 6.688 127.167 120.500 -0.034 0.000 2.360 66 R HA 0.631 5.314 4.340 0.274 -0.178 0.318 66 R C -1.008 175.361 176.300 0.115 0.000 0.950 66 R CA -1.283 54.862 56.100 0.075 0.000 0.837 66 R CB 1.349 31.557 30.300 -0.153 0.000 1.165 66 R HN 0.781 9.006 8.270 -0.075 0.000 0.458 70 E N -0.795 119.507 120.200 0.171 0.000 2.319 70 E HA 0.143 4.583 4.350 0.150 0.000 0.268 70 E C -1.803 174.983 176.600 0.309 0.000 1.050 70 E CA 0.015 56.540 56.400 0.209 0.000 0.878 70 E CB 1.470 31.256 29.700 0.142 0.000 1.066 70 E HN -0.607 7.833 8.360 0.193 0.037 0.406 71 D N 1.330 121.890 120.400 0.266 0.000 3.093 71 D HA 0.059 4.892 4.640 0.322 0.000 0.206 71 D C -1.087 175.418 176.300 0.341 0.000 1.512 71 D CA 1.113 55.277 54.000 0.273 0.000 1.420 71 D CB 2.501 43.380 40.800 0.132 0.000 1.166 71 D HN 0.091 8.572 8.370 0.185 0.000 0.285 72 N N 0.967 119.777 118.700 0.185 0.000 2.408 72 N HA 0.291 5.293 4.740 0.196 -0.144 0.257 72 N C 2.058 177.586 175.510 0.031 0.000 1.064 72 N CA -0.762 52.369 53.050 0.135 0.000 0.952 72 N CB 0.785 39.322 38.487 0.083 0.000 1.093 72 N HN -0.275 8.502 8.380 0.135 -0.316 0.490 73 I N 0.440 120.941 120.570 -0.114 0.000 3.444 73 I HA -0.065 4.130 4.170 -0.227 -0.161 0.287 73 I C -0.709 175.325 176.117 -0.138 0.000 1.302 73 I CA 1.192 62.324 61.300 -0.280 0.000 1.368 73 I CB -0.879 36.707 38.000 -0.691 0.000 1.048 73 I HN 0.583 8.739 8.210 -0.089 0.000 0.487 74 N N -1.842 116.825 118.700 -0.056 0.000 2.184 74 N HA 0.178 4.900 4.740 -0.030 0.000 0.206 74 N C -1.112 174.406 175.510 0.013 0.000 1.151 74 N CA -0.209 52.829 53.050 -0.019 0.000 0.878 74 N CB 2.177 40.661 38.487 -0.004 0.000 1.014 74 N HN -0.058 8.581 8.380 -0.032 -0.278 0.512 75 V N 0.482 120.412 119.914 0.026 0.000 2.623 75 V HA 0.058 4.199 4.120 0.035 0.000 0.304 75 V C -1.412 174.712 176.094 0.051 0.000 1.054 75 V CA -0.913 61.410 62.300 0.037 0.000 0.882 75 V CB 3.305 35.149 31.823 0.034 0.000 1.002 75 V HN -0.765 7.432 8.190 0.022 0.007 0.424 76 V N 7.878 127.822 119.914 0.051 0.000 2.387 76 V HA -0.208 4.159 4.120 0.062 -0.210 0.260 76 V C 0.371 176.471 176.094 0.010 0.000 1.054 76 V CA 0.789 63.111 62.300 0.037 0.000 0.967 76 V CB -0.455 31.379 31.823 0.017 0.000 1.036 76 V HN 0.346 8.564 8.190 0.045 0.000 0.481 77 E N 9.053 129.260 120.200 0.012 0.000 2.479 77 E HA 0.009 4.364 4.350 0.008 0.000 0.193 77 E C 0.544 177.137 176.600 -0.011 0.000 1.049 77 E CA 0.067 56.471 56.400 0.008 0.000 0.870 77 E CB 0.247 29.961 29.700 0.024 0.000 0.944 77 E HN 0.473 9.243 8.360 0.023 -0.396 0.492 78 G N -1.413 107.367 108.800 -0.034 0.000 2.253 78 G HA2 -0.345 3.577 3.960 -0.064 0.000 0.209 78 G HA3 -0.345 3.596 3.960 -0.032 0.000 0.209 78 G C -0.012 174.854 174.900 -0.057 0.000 0.997 78 G CA 0.357 45.428 45.100 -0.048 0.000 0.640 78 G HN 0.101 8.524 8.290 -0.045 -0.161 0.496 79 N N 0.276 118.951 118.700 -0.042 0.000 2.238 79 N HA 0.079 4.794 4.740 -0.043 0.000 0.222 79 N C -1.560 173.919 175.510 -0.052 0.000 1.133 79 N CA -0.639 52.389 53.050 -0.037 0.000 0.854 79 N CB 0.642 39.125 38.487 -0.006 0.000 1.041 79 N HN 0.321 8.686 8.380 -0.025 0.000 0.510 80 E N -0.149 119.984 120.200 -0.112 0.000 2.318 80 E HA 0.262 4.814 4.350 -0.032 -0.221 0.265 80 E C -0.177 176.272 176.600 -0.251 0.000 1.069 80 E CA -0.283 56.020 56.400 -0.161 0.000 0.893 80 E CB 0.898 30.407 29.700 -0.317 0.000 1.076 80 E HN -0.479 7.728 8.360 -0.133 0.074 0.414 81 Q N 0.433 120.150 119.800 -0.138 0.000 2.275 81 Q HA 0.303 4.530 4.340 -0.188 0.000 0.266 81 Q C -1.408 174.672 176.000 0.133 0.000 1.002 81 Q CA -1.101 54.650 55.803 -0.086 0.000 0.761 81 Q CB 2.996 31.727 28.738 -0.011 0.000 1.255 81 Q HN 0.297 8.572 8.270 0.008 0.000 0.446 82 F N 3.946 123.877 119.950 -0.031 0.000 2.375 82 F HA 0.839 5.533 4.527 -0.046 -0.195 0.361 82 F C 0.111 175.887 175.800 -0.041 0.000 1.117 82 F CA -1.679 56.296 58.000 -0.041 0.000 1.037 82 F CB 1.647 40.621 39.000 -0.044 0.000 1.192 82 F HN 0.314 8.591 8.300 -0.038 0.000 0.452 83 I N 4.685 125.331 120.570 0.128 0.000 2.498 83 I HA 0.308 4.504 4.170 0.043 0.000 0.290 83 I C -0.940 175.178 176.117 0.002 0.000 1.032 83 I CA -1.307 60.018 61.300 0.043 0.000 1.073 83 I CB 3.829 41.838 38.000 0.015 0.000 1.251 83 I HN 1.007 9.287 8.210 0.117 0.000 0.426 84 S N 6.538 122.230 115.700 -0.014 0.000 2.603 84 S HA 0.117 4.677 4.470 -0.040 -0.114 0.268 84 S C -0.655 173.912 174.600 -0.054 0.000 1.317 84 S CA 0.824 59.002 58.200 -0.036 0.000 1.012 84 S CB 0.977 64.157 63.200 -0.033 0.000 0.926 84 S HN 0.501 8.807 8.310 -0.006 0.000 0.539 85 A N 2.201 124.986 122.820 -0.058 0.000 2.354 85 A HA 0.395 4.795 4.320 -0.105 -0.143 0.269 85 A C -0.382 177.157 177.584 -0.075 0.000 1.109 85 A CA -0.738 51.253 52.037 -0.076 0.000 0.800 85 A CB 0.847 19.818 19.000 -0.049 0.000 1.045 85 A HN -0.214 7.906 8.150 -0.050 0.000 0.489 86 S N 2.442 118.077 115.700 -0.108 0.000 2.475 86 S HA 0.069 4.503 4.470 -0.059 0.000 0.224 86 S C 0.428 174.993 174.600 -0.058 0.000 1.042 86 S CA 1.248 59.397 58.200 -0.085 0.000 0.935 86 S CB 1.383 64.516 63.200 -0.111 0.000 0.801 86 S HN 0.706 8.809 8.310 -0.159 0.111 0.509 87 K N 0.845 121.201 120.400 -0.074 0.000 2.568 87 K HA 0.241 4.579 4.320 0.029 0.000 0.273 87 K C -2.438 174.184 176.600 0.035 0.000 0.951 87 K CA 0.273 56.559 56.287 -0.002 0.000 0.854 87 K CB 2.993 35.500 32.500 0.012 0.000 1.424 87 K HN -0.820 7.351 8.250 -0.132 0.000 0.427 88 S N 2.444 118.214 115.700 0.117 0.000 2.526 88 S HA 0.938 5.691 4.470 0.175 -0.179 0.293 88 S C -0.934 173.782 174.600 0.194 0.000 1.092 88 S CA -0.789 57.520 58.200 0.181 0.000 0.980 88 S CB 2.594 65.949 63.200 0.258 0.000 1.048 88 S HN 0.112 8.495 8.310 0.122 0.000 0.483 89 I N 5.500 126.206 120.570 0.226 0.000 2.468 89 I HA 0.291 4.559 4.170 0.162 0.000 0.284 89 I C -2.048 174.222 176.117 0.254 0.000 1.038 89 I CA -0.752 60.683 61.300 0.225 0.000 1.083 89 I CB 2.673 40.831 38.000 0.263 0.000 1.223 89 I HN 1.018 9.379 8.210 0.252 0.000 0.443 90 V N 7.225 127.220 119.914 0.135 0.000 2.686 90 V HA -0.107 4.068 4.120 0.093 0.000 0.295 90 V C -0.343 175.814 176.094 0.105 0.000 1.057 90 V CA -0.811 61.532 62.300 0.071 0.000 1.012 90 V CB 1.033 32.808 31.823 -0.079 0.000 1.006 90 V HN 0.268 8.497 8.190 0.064 0.000 0.477 91 H N 8.081 127.089 119.070 -0.104 0.000 3.064 91 H HA -0.091 4.010 4.556 -0.758 0.000 0.329 91 H C 0.023 175.238 175.328 -0.188 0.000 1.020 91 H CA 0.930 56.718 56.048 -0.433 0.000 1.402 91 H CB 1.589 31.007 29.762 -0.573 0.000 1.379 91 H HN -0.184 8.119 8.280 0.038 0.000 0.594 92 P HA -0.132 4.226 4.420 -0.103 0.000 0.217 92 P C -0.317 176.947 177.300 -0.059 0.000 1.148 92 P CA 1.791 64.747 63.100 -0.241 0.000 0.828 92 P CB 0.301 31.838 31.700 -0.272 0.000 0.783 93 S N -2.870 112.891 115.700 0.102 0.000 2.575 93 S HA 0.051 4.564 4.470 0.072 0.000 0.237 93 S C -1.075 173.640 174.600 0.191 0.000 0.975 93 S CA -0.203 58.104 58.200 0.178 0.000 0.960 93 S CB 0.827 64.140 63.200 0.189 0.000 0.822 93 S HN -0.455 7.897 8.310 0.124 0.032 0.472 94 Y N 3.959 124.312 120.300 0.088 0.000 2.620 94 Y HA -0.295 4.446 4.550 -0.019 -0.202 0.330 94 Y C -0.742 175.153 175.900 -0.008 0.000 1.186 94 Y CA 0.879 58.986 58.100 0.011 0.000 1.467 94 Y CB 0.747 39.211 38.460 0.005 0.000 1.262 94 Y HN -0.771 7.537 8.280 0.317 0.162 0.550 95 N N 7.685 126.023 118.700 -0.604 0.000 2.518 95 N HA 0.234 4.697 4.740 -0.462 0.000 0.254 95 N C -0.217 174.759 175.510 -0.889 0.000 0.979 95 N CA -1.248 51.459 53.050 -0.570 0.000 0.930 95 N CB 1.333 39.654 38.487 -0.276 0.000 1.152 95 N HN -0.163 7.969 8.380 -0.414 0.000 0.505 96 S N 6.377 121.530 115.700 -0.912 0.000 2.507 96 S HA -0.120 3.955 4.470 -0.657 0.000 0.235 96 S C 0.955 175.372 174.600 -0.303 0.000 0.988 96 S CA 2.353 60.210 58.200 -0.573 0.000 0.944 96 S CB -0.226 62.837 63.200 -0.229 0.000 0.762 96 S HN 0.729 8.606 8.310 -0.721 0.000 0.526 97 N N 0.891 119.417 118.700 -0.290 0.000 2.336 97 N HA -0.016 4.605 4.740 -0.197 0.000 0.177 97 N C 0.957 176.307 175.510 -0.267 0.000 1.018 97 N CA 2.263 55.179 53.050 -0.224 0.000 0.878 97 N CB 0.774 39.157 38.487 -0.173 0.000 0.997 97 N HN 0.007 8.419 8.380 -0.321 -0.226 0.433 98 T N -3.798 110.589 114.554 -0.279 0.000 3.001 98 T HA 0.091 4.233 4.350 -0.347 0.000 0.251 98 T C 0.107 174.597 174.700 -0.350 0.000 1.040 98 T CA -0.287 61.635 62.100 -0.298 0.000 0.985 98 T CB 1.548 70.301 68.868 -0.190 0.000 1.011 98 T HN -0.623 7.655 8.240 -0.279 -0.205 0.509 99 L N -3.233 117.822 121.223 -0.279 0.000 4.089 99 L HA -0.496 3.925 4.340 0.019 -0.070 0.408 99 L C -1.923 174.976 176.870 0.047 0.000 1.184 99 L CA 0.450 55.232 54.840 -0.097 0.000 0.947 99 L CB -2.608 39.320 42.059 -0.218 0.000 2.066 99 L HN -0.174 7.871 8.230 -0.309 0.000 0.851 100 N N -0.764 117.922 118.700 -0.024 0.000 2.520 100 N HA -0.116 4.683 4.740 0.097 0.000 0.273 100 N C -0.175 175.390 175.510 0.092 0.000 1.155 100 N CA 0.521 53.598 53.050 0.046 0.000 0.967 100 N CB 1.203 39.689 38.487 -0.002 0.000 1.092 100 N HN -0.740 7.528 8.380 -0.126 0.036 0.457 101 N N -0.610 118.142 118.700 0.088 0.000 2.780 101 N HA -0.466 4.228 4.740 -0.076 0.000 0.247 101 N C -1.391 174.098 175.510 -0.035 0.000 1.076 101 N CA 1.327 54.333 53.050 -0.073 0.000 0.688 101 N CB -1.473 36.879 38.487 -0.224 0.000 0.957 101 N HN 0.638 9.091 8.380 0.120 0.000 0.551 102 D N -0.744 119.682 120.400 0.044 0.000 2.551 102 D HA 0.065 4.704 4.640 -0.002 0.000 0.223 102 D C -2.040 174.175 176.300 -0.143 0.000 1.144 102 D CA -0.241 53.779 54.000 0.033 0.000 1.025 102 D CB -0.733 40.191 40.800 0.208 0.000 1.085 102 D HN -0.044 8.370 8.370 0.073 0.000 0.506 103 I N 1.772 122.191 120.570 -0.252 0.000 2.827 103 I HA 0.770 5.047 4.170 -0.115 -0.176 0.298 103 I C -3.052 173.038 176.117 -0.046 0.000 1.235 103 I CA -1.574 59.615 61.300 -0.186 0.000 1.021 103 I CB 3.876 41.651 38.000 -0.376 0.000 1.259 103 I HN -0.124 7.882 8.210 -0.270 0.042 0.427 104 M N 3.811 123.462 119.600 0.085 0.000 2.578 104 M HA 0.769 5.570 4.480 0.332 -0.121 0.276 104 M C -2.834 173.610 176.300 0.241 0.000 1.245 104 M CA -0.928 54.493 55.300 0.202 0.000 0.871 104 M CB 4.691 37.355 32.600 0.106 0.000 1.722 104 M HN 0.494 8.825 8.290 0.068 0.000 0.473 105 L N -0.121 121.275 121.223 0.288 0.000 2.346 105 L HA 0.932 5.613 4.340 0.256 -0.187 0.274 105 L C -1.264 175.800 176.870 0.324 0.000 1.007 105 L CA -1.485 53.528 54.840 0.289 0.000 0.818 105 L CB 3.589 45.770 42.059 0.202 0.000 1.284 105 L HN 0.560 8.989 8.230 0.332 0.000 0.424 106 I N 0.870 121.616 120.570 0.293 0.000 2.466 106 I HA 0.543 4.940 4.170 0.101 -0.167 0.289 106 I C -1.768 174.278 176.117 -0.119 0.000 1.026 106 I CA -1.275 60.089 61.300 0.107 0.000 1.078 106 I CB 3.228 41.266 38.000 0.062 0.000 1.249 106 I HN 0.886 9.293 8.210 0.328 0.000 0.429 107 K N 6.546 126.672 120.400 -0.456 0.000 2.159 107 K HA 0.700 4.375 4.320 -1.357 -0.170 0.266 107 K C -1.078 175.231 176.600 -0.485 0.000 0.975 107 K CA -2.058 53.617 56.287 -1.019 0.000 0.865 107 K CB 3.255 34.954 32.500 -1.335 0.000 1.087 107 K HN 0.754 8.837 8.250 -0.277 0.000 0.446 108 L N 4.798 125.762 121.223 -0.433 0.000 2.375 108 L HA 0.173 4.525 4.340 -0.170 -0.114 0.271 108 L C 1.785 178.534 176.870 -0.201 0.000 1.107 108 L CA 0.099 54.803 54.840 -0.228 0.000 0.806 108 L CB 0.330 42.295 42.059 -0.158 0.000 1.146 108 L HN 0.660 8.549 8.230 -0.570 0.000 0.447 109 K N 2.428 122.751 120.400 -0.128 0.000 2.148 109 K HA -0.266 3.989 4.320 -0.109 0.000 0.204 109 K C 0.058 176.610 176.600 -0.080 0.000 1.050 109 K CA 2.629 58.858 56.287 -0.096 0.000 0.942 109 K CB 0.419 32.882 32.500 -0.061 0.000 0.724 109 K HN 0.565 8.752 8.250 -0.105 0.000 0.446 110 S N -4.024 111.633 115.700 -0.071 0.000 2.570 110 S HA 0.129 4.569 4.470 -0.049 0.000 0.286 110 S C -1.767 172.800 174.600 -0.054 0.000 1.099 110 S CA -1.176 56.993 58.200 -0.051 0.000 0.913 110 S CB 2.218 65.399 63.200 -0.031 0.000 1.085 110 S HN -0.522 7.721 8.310 -0.074 0.023 0.480 111 A N 2.458 125.255 122.820 -0.039 0.000 2.371 111 A HA 0.005 4.444 4.320 -0.041 -0.144 0.257 111 A C -0.838 176.738 177.584 -0.013 0.000 1.089 111 A CA -0.177 51.844 52.037 -0.027 0.000 0.794 111 A CB 0.750 19.745 19.000 -0.008 0.000 1.029 111 A HN 0.267 8.398 8.150 -0.031 0.000 0.488 112 A N 3.602 126.421 122.820 -0.003 0.000 2.287 112 A HA 0.190 4.586 4.320 0.002 -0.075 0.273 112 A C -0.715 176.876 177.584 0.011 0.000 1.091 112 A CA -0.744 51.297 52.037 0.007 0.000 0.817 112 A CB 1.490 20.503 19.000 0.022 0.000 1.069 112 A HN 0.455 8.493 8.150 -0.002 0.111 0.492 113 S N 0.273 115.978 115.700 0.009 0.000 2.422 113 S HA 0.096 4.572 4.470 0.011 0.000 0.308 113 S C -1.107 173.504 174.600 0.017 0.000 1.097 113 S CA -0.210 57.995 58.200 0.009 0.000 1.099 113 S CB 0.450 63.650 63.200 -0.000 0.000 0.976 113 S HN 0.081 8.749 8.310 0.006 -0.355 0.471 114 L N 6.116 127.353 121.223 0.024 0.000 2.371 114 L HA 0.125 4.610 4.340 0.036 -0.124 0.272 114 L C -0.334 176.551 176.870 0.024 0.000 1.124 114 L CA -0.061 54.798 54.840 0.031 0.000 0.816 114 L CB 0.567 42.649 42.059 0.038 0.000 1.129 114 L HN 0.310 8.553 8.230 0.023 0.000 0.448 115 N N 3.111 121.827 118.700 0.026 0.000 3.449 115 N HA 0.151 4.903 4.740 0.019 0.000 0.312 115 N C -0.572 174.952 175.510 0.024 0.000 1.557 115 N CA -0.510 52.552 53.050 0.020 0.000 0.864 115 N CB 0.666 39.160 38.487 0.012 0.000 1.799 115 N HN 0.498 8.788 8.380 0.032 0.110 0.554 116 S N -1.000 114.711 115.700 0.019 0.000 2.370 116 S HA -0.303 4.182 4.470 0.025 0.000 0.226 116 S C 0.572 175.184 174.600 0.020 0.000 1.033 116 S CA 3.231 61.444 58.200 0.020 0.000 1.011 116 S CB -0.302 62.907 63.200 0.015 0.000 0.852 116 S HN 0.291 8.610 8.310 0.015 0.000 0.457 117 R N -1.931 118.579 120.500 0.016 0.000 2.240 117 R HA -0.076 4.269 4.340 0.008 0.000 0.203 117 R C -1.152 175.159 176.300 0.019 0.000 1.011 117 R CA 1.173 57.281 56.100 0.014 0.000 1.007 117 R CB 0.992 31.299 30.300 0.011 0.000 0.911 117 R HN -0.333 8.145 8.270 0.014 -0.199 0.468 118 V N -1.777 118.154 119.914 0.029 0.000 2.482 118 V HA 0.284 4.627 4.120 0.044 -0.197 0.295 118 V C -2.053 174.076 176.094 0.058 0.000 1.026 118 V CA -1.242 61.084 62.300 0.043 0.000 0.856 118 V CB 2.507 34.354 31.823 0.039 0.000 1.001 118 V HN -0.578 7.672 8.190 0.027 -0.044 0.424 119 A N 6.977 129.848 122.820 0.085 0.000 2.566 119 A HA 0.640 5.011 4.320 0.084 0.000 0.292 119 A C -2.825 174.851 177.584 0.154 0.000 1.112 119 A CA -1.727 50.374 52.037 0.107 0.000 0.707 119 A CB 2.907 21.974 19.000 0.112 0.000 1.302 119 A HN 0.094 8.177 8.150 0.089 0.121 0.409 120 S N -1.617 114.161 115.700 0.128 0.000 2.687 120 S HA 0.704 5.414 4.470 0.165 -0.141 0.283 120 S C -0.850 173.809 174.600 0.098 0.000 1.170 120 S CA -1.094 57.182 58.200 0.127 0.000 1.008 120 S CB 1.884 65.137 63.200 0.088 0.000 1.026 120 S HN -0.031 8.338 8.310 0.099 0.000 0.541 121 I N 0.644 121.228 120.570 0.024 0.000 2.562 121 I HA 0.250 4.347 4.170 -0.121 0.000 0.301 121 I C -1.543 174.523 176.117 -0.084 0.000 1.003 121 I CA -1.803 59.409 61.300 -0.146 0.000 1.127 121 I CB 3.735 41.431 38.000 -0.505 0.000 1.304 121 I HN 0.456 8.695 8.210 0.049 0.000 0.446 122 S N 6.550 122.199 115.700 -0.086 0.000 2.580 122 S HA 0.207 4.660 4.470 -0.028 0.000 0.274 122 S C -0.762 173.808 174.600 -0.049 0.000 1.329 122 S CA -0.139 58.032 58.200 -0.049 0.000 1.036 122 S CB 0.685 63.861 63.200 -0.039 0.000 0.919 122 S HN 0.332 8.577 8.310 -0.109 0.000 0.515 123 L N 2.427 123.635 121.223 -0.025 0.000 2.399 123 L HA 0.206 4.543 4.340 -0.006 0.000 0.266 123 L C -1.210 175.654 176.870 -0.010 0.000 1.114 123 L CA -2.425 52.410 54.840 -0.008 0.000 0.804 123 L CB 0.354 42.415 42.059 0.004 0.000 1.146 123 L HN 0.228 8.447 8.230 -0.019 0.000 0.451 124 P HA 0.109 4.517 4.420 -0.021 0.000 0.277 124 P C -1.134 176.163 177.300 -0.005 0.000 1.240 124 P CA -0.491 62.603 63.100 -0.009 0.000 0.798 124 P CB 0.471 32.166 31.700 -0.008 0.000 0.979 128 c N 0.653 119.225 118.600 -0.047 0.000 2.443 128 c HA 0.127 4.653 4.570 -0.073 0.000 0.369 128 c C 0.086 174.114 174.090 -0.103 0.000 1.241 128 c CA -0.401 55.883 56.329 -0.074 0.000 2.413 128 c CB 0.577 43.047 42.510 -0.067 0.000 2.451 128 c HN -0.039 8.166 8.230 -0.041 0.000 0.595 129 A N 1.736 124.458 122.820 -0.163 0.000 2.279 129 A HA 0.080 4.326 4.320 -0.123 0.000 0.303 129 A C -1.007 176.472 177.584 -0.175 0.000 1.108 129 A CA -0.313 51.621 52.037 -0.172 0.000 0.830 129 A CB 0.886 19.751 19.000 -0.226 0.000 1.106 129 A HN 0.141 8.166 8.150 -0.207 0.000 0.493 133 G N 0.950 109.712 108.800 -0.064 0.000 2.258 133 G HA2 -0.313 3.617 3.960 -0.050 0.000 0.233 133 G HA3 -0.313 3.621 3.960 -0.043 0.000 0.233 133 G C -0.222 174.643 174.900 -0.059 0.000 1.006 133 G CA -0.049 45.019 45.100 -0.053 0.000 0.620 133 G HN 0.731 8.862 8.290 -0.068 0.118 0.511 134 T N 4.349 118.857 114.554 -0.077 0.000 2.928 134 T HA -0.147 4.169 4.350 -0.057 0.000 0.305 134 T C -0.672 173.986 174.700 -0.071 0.000 1.035 134 T CA 2.262 64.316 62.100 -0.076 0.000 1.145 134 T CB 0.449 69.255 68.868 -0.103 0.000 0.963 134 T HN -0.414 7.693 8.240 -0.092 0.078 0.545 135 Q N 4.537 124.309 119.800 -0.046 0.000 2.235 135 Q HA 0.138 4.580 4.340 -0.039 -0.126 0.250 135 Q C -0.897 175.086 176.000 -0.028 0.000 0.909 135 Q CA 0.067 55.853 55.803 -0.028 0.000 0.910 135 Q CB 1.587 30.326 28.738 0.002 0.000 1.223 135 Q HN 0.228 8.476 8.270 -0.037 0.000 0.432 136 c N 0.506 119.092 118.600 -0.024 0.000 3.044 136 c HA 0.609 5.282 4.570 -0.015 -0.112 0.315 136 c C -1.748 172.350 174.090 0.013 0.000 1.320 136 c CA -1.286 55.031 56.329 -0.020 0.000 1.582 136 c CB 4.368 46.847 42.510 -0.052 0.000 2.039 136 c HN 0.800 8.903 8.230 -0.024 0.112 0.466 137 L N 0.902 122.141 121.223 0.026 0.000 2.325 137 L HA 0.857 5.409 4.340 0.057 -0.178 0.281 137 L C -2.248 174.640 176.870 0.030 0.000 1.004 137 L CA -1.331 53.539 54.840 0.051 0.000 0.823 137 L CB 3.168 45.280 42.059 0.088 0.000 1.236 137 L HN 0.674 8.808 8.230 0.019 0.107 0.415 138 I N 7.681 128.253 120.570 0.004 0.000 2.474 138 I HA 0.867 5.277 4.170 0.019 -0.228 0.294 138 I C -1.379 174.710 176.117 -0.046 0.000 1.005 138 I CA -1.565 59.733 61.300 -0.003 0.000 1.113 138 I CB 2.611 40.610 38.000 -0.001 0.000 1.289 138 I HN 0.935 9.147 8.210 0.004 0.000 0.436 139 S N 2.501 118.170 115.700 -0.052 0.000 2.588 139 S HA 0.990 5.492 4.470 -0.213 -0.161 0.275 139 S C -1.196 173.296 174.600 -0.179 0.000 1.130 139 S CA -1.700 56.397 58.200 -0.171 0.000 0.855 139 S CB 3.763 66.828 63.200 -0.226 0.000 1.116 139 S HN -0.196 8.116 8.310 0.003 0.000 0.472 140 G N -1.116 107.487 108.800 -0.327 0.000 2.316 140 G HA2 0.161 3.902 3.960 -0.365 0.000 0.296 140 G HA3 0.161 4.230 3.960 -0.042 -0.134 0.296 140 G C -2.355 172.342 174.900 -0.339 0.000 1.399 140 G CA 0.596 45.533 45.100 -0.272 0.000 0.833 140 G HN 0.393 8.434 8.290 -0.416 0.000 0.565 141 W N 1.266 122.535 121.300 -0.051 0.000 3.015 141 W HA 0.395 5.008 4.660 -0.078 0.000 0.429 141 W C -0.323 176.234 176.519 0.063 0.000 0.976 141 W CA -0.936 56.345 57.345 -0.107 0.000 2.086 141 W CB 0.029 29.240 29.460 -0.416 0.000 1.125 141 W HN 0.580 8.954 8.180 0.323 0.000 0.721 142 G N 0.690 109.643 108.800 0.254 0.000 2.588 142 G HA2 -0.014 4.260 3.960 0.508 0.000 0.281 142 G HA3 -0.014 4.247 3.960 0.225 -0.166 0.281 142 G C -0.925 173.963 174.900 -0.020 0.000 1.236 142 G CA -0.923 44.336 45.100 0.266 0.000 0.969 142 G HN -0.342 8.189 8.290 0.151 -0.150 0.504 143 N N -0.285 118.237 118.700 -0.296 0.000 2.294 143 N HA -0.318 3.880 4.740 -1.177 -0.164 0.248 143 N C 0.792 176.139 175.510 -0.271 0.000 1.242 143 N CA 1.278 53.935 53.050 -0.656 0.000 0.848 143 N CB 0.562 38.740 38.487 -0.514 0.000 1.084 143 N HN 0.223 8.571 8.380 -0.053 0.000 0.457 144 T N -0.480 113.930 114.554 -0.241 0.000 3.044 144 T HA 0.175 4.594 4.350 -0.090 -0.122 0.260 144 T C 0.045 174.695 174.700 -0.083 0.000 1.019 144 T CA 0.275 62.306 62.100 -0.116 0.000 0.921 144 T CB 1.448 70.266 68.868 -0.083 0.000 1.053 144 T HN 0.366 8.418 8.240 -0.315 0.000 0.533 145 K N 2.004 122.346 120.400 -0.097 0.000 2.221 145 K HA 0.363 4.661 4.320 -0.037 0.000 0.258 145 K C -0.257 176.323 176.600 -0.034 0.000 0.944 145 K CA -2.192 54.064 56.287 -0.052 0.000 0.823 145 K CB 2.060 34.532 32.500 -0.046 0.000 1.113 145 K HN -0.691 7.683 8.250 -0.150 -0.215 0.431 146 S N 2.184 117.877 115.700 -0.013 0.000 2.371 146 S HA -0.201 4.336 4.470 0.006 -0.063 0.224 146 S C -0.011 174.594 174.600 0.008 0.000 1.029 146 S CA 2.213 60.415 58.200 0.003 0.000 0.978 146 S CB 0.454 63.661 63.200 0.010 0.000 0.833 146 S HN 0.253 8.557 8.310 -0.011 0.000 0.466 147 S N 1.075 116.778 115.700 0.005 0.000 2.532 147 S HA 0.111 4.590 4.470 0.015 0.000 0.256 147 S C -1.086 173.518 174.600 0.007 0.000 1.298 147 S CA -0.106 58.100 58.200 0.010 0.000 1.166 147 S CB -0.219 62.987 63.200 0.011 0.000 1.022 147 S HN -0.450 7.860 8.310 0.000 0.000 0.480 148 G N 3.455 112.260 108.800 0.008 0.000 2.369 148 G HA2 -0.156 3.816 3.960 0.020 0.000 0.295 148 G HA3 -0.156 3.807 3.960 0.005 0.000 0.295 148 G C -2.631 172.271 174.900 0.002 0.000 1.298 148 G CA -0.270 44.836 45.100 0.010 0.000 0.940 148 G HN -0.295 8.002 8.290 0.012 0.000 0.536 149 T N -0.033 114.529 114.554 0.014 0.000 2.879 149 T HA 0.179 4.671 4.350 -0.065 -0.180 0.290 149 T C -1.484 173.219 174.700 0.006 0.000 0.993 149 T CA -0.216 61.892 62.100 0.014 0.000 0.975 149 T CB 2.438 71.383 68.868 0.128 0.000 0.981 149 T HN -0.078 8.176 8.240 0.024 0.000 0.439 150 S N 5.883 121.520 115.700 -0.105 0.000 2.653 150 S HA 0.196 4.708 4.470 0.070 0.000 0.268 150 S C -2.302 172.200 174.600 -0.164 0.000 1.153 150 S CA 0.518 58.697 58.200 -0.035 0.000 1.036 150 S CB 1.194 64.374 63.200 -0.033 0.000 1.103 150 S HN 0.504 8.973 8.310 -0.300 -0.338 0.466 151 Y N 5.729 126.062 120.300 0.055 0.000 2.331 151 Y HA 0.282 4.880 4.550 0.080 0.000 0.338 151 Y C -1.211 174.731 175.900 0.070 0.000 0.992 151 Y CA -2.791 55.353 58.100 0.073 0.000 1.121 151 Y CB 0.956 39.465 38.460 0.082 0.000 1.184 151 Y HN 0.143 8.593 8.280 0.284 0.000 0.469 152 P HA 0.387 4.877 4.420 0.116 0.000 0.278 152 P C -1.667 175.759 177.300 0.210 0.000 1.258 152 P CA -0.728 62.461 63.100 0.149 0.000 0.811 152 P CB 2.182 33.936 31.700 0.091 0.000 1.063 153 D N -1.694 118.811 120.400 0.175 0.000 2.388 153 D HA -0.059 4.659 4.640 0.130 0.000 0.208 153 D C -1.424 175.050 176.300 0.289 0.000 1.035 153 D CA 0.981 55.081 54.000 0.167 0.000 0.875 153 D CB 0.922 41.778 40.800 0.094 0.000 0.984 153 D HN 0.424 8.875 8.370 0.134 0.000 0.508 154 V N -7.441 112.628 119.914 0.258 0.000 2.850 154 V HA 0.626 5.233 4.120 0.394 -0.251 0.315 154 V C -0.817 175.308 176.094 0.052 0.000 1.064 154 V CA -2.812 59.634 62.300 0.244 0.000 0.979 154 V CB 2.164 34.050 31.823 0.105 0.000 1.039 154 V HN -0.944 7.351 8.190 0.176 0.000 0.452 155 L N 2.061 123.173 121.223 -0.185 0.000 2.455 155 L HA -0.044 3.516 4.340 -1.299 0.000 0.272 155 L C -0.273 176.341 176.870 -0.426 0.000 1.174 155 L CA 0.817 55.228 54.840 -0.715 0.000 0.869 155 L CB 0.730 42.345 42.059 -0.740 0.000 1.130 155 L HN -0.110 8.309 8.230 0.018 -0.178 0.474 156 K N 5.490 125.615 120.400 -0.459 0.000 2.203 156 K HA 0.712 4.995 4.320 -0.343 -0.168 0.251 156 K C -1.170 175.172 176.600 -0.430 0.000 0.944 156 K CA -2.632 53.438 56.287 -0.361 0.000 0.829 156 K CB 2.468 34.822 32.500 -0.244 0.000 1.125 156 K HN -0.131 7.771 8.250 -0.580 0.000 0.430 157 c N -0.156 118.084 118.600 -0.600 0.000 2.614 157 c HA 1.003 5.516 4.570 -0.400 -0.183 0.320 157 c C -1.745 171.969 174.090 -0.627 0.000 1.200 157 c CA -0.813 55.114 56.329 -0.669 0.000 1.700 157 c CB 3.596 45.551 42.510 -0.925 0.000 2.275 157 c HN 0.762 8.559 8.230 -0.720 0.000 0.492 158 L N 0.967 122.036 121.223 -0.255 0.000 2.493 158 L HA 0.447 4.818 4.340 0.051 0.000 0.265 158 L C -2.588 174.345 176.870 0.104 0.000 0.954 158 L CA 0.107 54.940 54.840 -0.012 0.000 0.844 158 L CB 4.442 46.512 42.059 0.018 0.000 1.302 158 L HN 0.678 8.796 8.230 -0.187 0.000 0.405 159 K N 6.170 126.695 120.400 0.209 0.000 2.185 159 K HA 0.928 5.549 4.320 0.124 -0.227 0.269 159 K C -1.004 175.727 176.600 0.218 0.000 0.987 159 K CA -1.002 55.392 56.287 0.179 0.000 0.865 159 K CB 1.800 34.410 32.500 0.183 0.000 1.090 159 K HN 0.331 8.739 8.250 0.265 0.000 0.450 160 A N 3.565 126.450 122.820 0.108 0.000 2.574 160 A HA 0.681 5.011 4.320 0.017 0.000 0.297 160 A C -3.450 174.068 177.584 -0.110 0.000 1.062 160 A CA -2.473 49.557 52.037 -0.012 0.000 0.686 160 A CB 3.019 22.005 19.000 -0.023 0.000 1.285 160 A HN 0.785 8.968 8.150 0.056 0.000 0.403 161 P HA 0.740 5.308 4.420 -0.099 -0.207 0.282 161 P C -1.117 176.107 177.300 -0.126 0.000 1.259 161 P CA -1.506 61.505 63.100 -0.148 0.000 0.826 161 P CB 1.704 33.319 31.700 -0.141 0.000 1.064 162 I N -0.446 120.071 120.570 -0.088 0.000 2.529 162 I HA -0.042 4.271 4.170 0.062 -0.106 0.284 162 I C 0.133 176.232 176.117 -0.030 0.000 1.082 162 I CA 0.491 61.767 61.300 -0.039 0.000 1.406 162 I CB 0.404 38.306 38.000 -0.164 0.000 1.405 162 I HN 0.027 8.177 8.210 -0.100 0.000 0.548 163 L N 6.438 127.678 121.223 0.029 0.000 2.387 163 L HA 0.287 4.615 4.340 -0.019 0.000 0.266 163 L C -0.485 176.404 176.870 0.031 0.000 1.059 163 L CA -1.102 53.747 54.840 0.014 0.000 0.801 163 L CB 0.770 42.845 42.059 0.026 0.000 1.223 163 L HN 0.322 8.617 8.230 0.108 0.000 0.456 164 S N -0.814 114.897 115.700 0.018 0.000 2.572 164 S HA -0.059 4.418 4.470 0.013 0.000 0.279 164 S C 0.650 175.276 174.600 0.044 0.000 1.341 164 S CA -0.638 57.575 58.200 0.021 0.000 1.043 164 S CB 1.165 64.372 63.200 0.011 0.000 0.887 164 S HN 0.104 8.419 8.310 0.008 0.000 0.516 165 D N 3.153 123.581 120.400 0.047 0.000 2.178 165 D HA -0.265 4.428 4.640 0.088 0.000 0.201 165 D C 1.926 178.260 176.300 0.056 0.000 0.980 165 D CA 3.608 57.648 54.000 0.065 0.000 0.842 165 D CB -0.400 40.437 40.800 0.060 0.000 0.948 165 D HN 0.538 8.928 8.370 0.034 0.000 0.472 166 S N -0.622 115.102 115.700 0.039 0.000 2.356 166 S HA -0.333 4.159 4.470 0.036 0.000 0.223 166 S C 1.952 176.571 174.600 0.031 0.000 1.032 166 S CA 3.464 61.684 58.200 0.032 0.000 1.005 166 S CB -0.265 62.948 63.200 0.021 0.000 0.867 166 S HN 0.146 8.460 8.310 0.032 0.016 0.449 167 S N 2.319 118.035 115.700 0.027 0.000 2.402 167 S HA -0.194 4.281 4.470 0.008 0.000 0.229 167 S C 2.024 176.640 174.600 0.027 0.000 1.021 167 S CA 3.052 61.263 58.200 0.018 0.000 0.974 167 S CB -0.251 62.957 63.200 0.013 0.000 0.800 167 S HN -0.447 7.880 8.310 0.027 0.000 0.484 168 c N 3.854 122.490 118.600 0.059 0.000 2.462 168 c HA -0.262 4.376 4.570 0.112 0.000 0.278 168 c C 2.067 176.238 174.090 0.135 0.000 1.253 168 c CA 3.060 59.452 56.329 0.106 0.000 1.713 168 c CB -1.852 40.726 42.510 0.113 0.000 2.049 168 c HN -0.265 7.898 8.230 0.058 0.102 0.477 169 K N -1.081 119.383 120.400 0.107 0.000 2.148 169 K HA -0.320 4.097 4.320 0.162 0.000 0.204 169 K C 2.282 178.926 176.600 0.074 0.000 1.050 169 K CA 3.109 59.463 56.287 0.112 0.000 0.942 169 K CB -0.086 32.465 32.500 0.084 0.000 0.724 169 K HN 0.240 8.543 8.250 0.087 0.000 0.446 170 S N -0.895 114.825 115.700 0.033 0.000 2.402 170 S HA -0.248 4.229 4.470 0.011 0.000 0.229 170 S C 0.849 175.417 174.600 -0.054 0.000 1.021 170 S CA 2.887 61.087 58.200 -0.001 0.000 0.974 170 S CB -0.022 63.173 63.200 -0.008 0.000 0.800 170 S HN -0.314 8.000 8.310 0.034 0.017 0.484 171 A N -0.659 122.093 122.820 -0.114 0.000 1.929 171 A HA -0.080 4.065 4.320 -0.291 0.000 0.216 171 A C -0.761 176.518 177.584 -0.508 0.000 1.176 171 A CA 1.787 53.606 52.037 -0.364 0.000 0.628 171 A CB 0.855 19.541 19.000 -0.523 0.000 0.816 171 A HN -0.744 7.265 8.150 -0.060 0.105 0.444 172 Y N -5.295 115.042 120.300 0.062 0.000 2.658 172 Y HA 0.508 5.131 4.550 0.122 0.000 0.362 172 Y C -2.534 173.428 175.900 0.104 0.000 1.017 172 Y CA -3.180 54.991 58.100 0.119 0.000 1.134 172 Y CB -0.124 38.461 38.460 0.208 0.000 1.144 172 Y HN -0.554 7.679 8.280 0.060 0.082 0.655 173 P HA 0.013 4.600 4.420 0.103 -0.105 0.264 173 P C 0.529 177.897 177.300 0.114 0.000 1.193 173 P CA 0.415 63.580 63.100 0.109 0.000 0.763 173 P CB 0.244 31.982 31.700 0.062 0.000 0.810 174 G N 4.691 113.549 108.800 0.096 0.000 2.175 174 G HA2 -0.243 3.755 3.960 0.063 0.000 0.265 174 G HA3 -0.243 3.751 3.960 0.056 0.000 0.265 174 G C 0.085 175.037 174.900 0.087 0.000 0.979 174 G CA 0.939 46.084 45.100 0.074 0.000 0.663 174 G HN 0.463 8.807 8.290 0.090 0.000 0.533 175 Q N -2.341 117.548 119.800 0.148 0.000 2.246 175 Q HA 0.081 4.463 4.340 0.069 0.000 0.222 175 Q C -0.477 175.657 176.000 0.224 0.000 0.851 175 Q CA -0.284 55.614 55.803 0.158 0.000 0.945 175 Q CB 1.515 30.388 28.738 0.225 0.000 1.122 175 Q HN -0.279 8.042 8.270 0.188 0.062 0.508 176 I N -0.068 120.629 120.570 0.211 0.000 2.353 176 I HA 0.062 4.378 4.170 0.243 0.000 0.293 176 I C -0.109 176.087 176.117 0.131 0.000 0.992 176 I CA -2.151 59.264 61.300 0.192 0.000 1.268 176 I CB -0.375 37.725 38.000 0.167 0.000 1.387 176 I HN -0.517 7.806 8.210 0.188 0.000 0.478 177 T N 2.113 116.742 114.554 0.125 0.000 2.922 177 T HA 0.383 4.777 4.350 0.073 0.000 0.281 177 T C 0.682 175.436 174.700 0.090 0.000 1.005 177 T CA -2.118 60.035 62.100 0.089 0.000 0.982 177 T CB 2.537 71.450 68.868 0.075 0.000 1.158 177 T HN -0.378 7.953 8.240 0.151 0.000 0.566 178 S N -1.851 113.888 115.700 0.065 0.000 2.555 178 S HA -0.204 4.308 4.470 0.070 0.000 0.230 178 S C 0.360 175.005 174.600 0.074 0.000 0.978 178 S CA 2.078 60.314 58.200 0.059 0.000 0.934 178 S CB -0.232 62.983 63.200 0.026 0.000 0.766 178 S HN 0.288 8.628 8.310 0.050 0.000 0.533 179 N N 0.603 119.359 118.700 0.094 0.000 2.276 179 N HA 0.147 4.955 4.740 0.112 0.000 0.212 179 N C -1.683 173.950 175.510 0.205 0.000 1.127 179 N CA -0.304 52.834 53.050 0.145 0.000 0.834 179 N CB 0.759 39.353 38.487 0.177 0.000 1.014 179 N HN -0.559 7.800 8.380 0.090 0.076 0.491 180 M N -1.457 118.249 119.600 0.176 0.000 2.593 180 M HA 0.832 5.588 4.480 0.104 -0.213 0.290 180 M C -2.142 174.275 176.300 0.195 0.000 1.244 180 M CA -0.368 55.012 55.300 0.133 0.000 0.857 180 M CB 5.218 37.868 32.600 0.085 0.000 1.738 180 M HN -0.720 7.571 8.290 0.155 0.092 0.461 181 F N -4.999 114.991 119.950 0.067 0.000 2.668 181 F HA 0.632 5.184 4.527 0.042 0.000 0.309 181 F C -2.654 173.196 175.800 0.084 0.000 1.117 181 F CA -1.867 56.169 58.000 0.061 0.000 0.951 181 F CB 2.287 41.321 39.000 0.057 0.000 1.323 181 F HN 0.143 8.305 8.300 -0.230 0.000 0.451 182 c N -0.137 118.610 118.600 0.244 0.000 2.391 182 c HA 1.031 5.839 4.570 0.056 -0.204 0.339 182 c C -1.118 173.153 174.090 0.302 0.000 1.205 182 c CA -1.134 55.291 56.329 0.161 0.000 1.937 182 c CB 2.916 45.488 42.510 0.104 0.000 2.341 182 c HN 0.861 9.286 8.230 0.325 0.000 0.516 183 A N 2.750 125.733 122.820 0.271 0.000 2.476 183 A HA 0.649 5.145 4.320 0.077 -0.129 0.280 183 A C -2.296 175.331 177.584 0.072 0.000 1.081 183 A CA -0.522 51.592 52.037 0.128 0.000 0.753 183 A CB 2.770 21.749 19.000 -0.035 0.000 1.248 183 A HN 0.423 8.772 8.150 0.332 0.000 0.424 184 Y N 2.856 123.189 120.300 0.056 0.000 2.404 184 Y HA 0.060 4.666 4.550 0.035 -0.035 0.344 184 Y C 1.184 177.102 175.900 0.030 0.000 0.995 184 Y CA -0.351 57.772 58.100 0.038 0.000 1.201 184 Y CB 0.262 38.742 38.460 0.033 0.000 1.151 184 Y HN 0.335 8.732 8.280 0.196 0.000 0.517 185 L N 4.318 125.613 121.223 0.120 0.000 2.275 185 L HA -0.364 4.009 4.340 0.054 0.000 0.215 185 L C 0.982 177.897 176.870 0.077 0.000 1.119 185 L CA 2.482 57.364 54.840 0.070 0.000 0.790 185 L CB -0.485 41.596 42.059 0.037 0.000 0.919 185 L HN 0.567 8.852 8.230 0.091 0.000 0.443 186 E N -2.681 117.585 120.200 0.110 0.000 2.347 186 E HA -0.116 4.264 4.350 0.050 0.000 0.196 186 E C 0.834 177.473 176.600 0.065 0.000 1.008 186 E CA 0.225 56.670 56.400 0.074 0.000 0.852 186 E CB -0.435 29.308 29.700 0.070 0.000 0.783 186 E HN 0.158 8.570 8.360 0.159 0.043 0.505 187 G N 0.905 109.764 108.800 0.098 0.000 3.436 187 G HA2 -0.386 3.631 3.960 0.095 0.000 0.685 187 G HA3 -0.386 3.641 3.960 0.050 -0.037 0.685 187 G C -0.859 174.071 174.900 0.050 0.000 1.039 187 G CA -0.264 44.881 45.100 0.076 0.000 0.879 187 G HN -0.462 7.742 8.290 0.150 0.176 0.478 188 K N 2.099 122.507 120.400 0.013 0.000 7.008 188 K HA -0.599 3.982 4.320 0.027 -0.245 0.643 188 K C -1.250 175.458 176.600 0.180 0.000 2.544 188 K CA 0.898 57.219 56.287 0.056 0.000 1.902 188 K CB 0.174 32.627 32.500 -0.078 0.000 1.909 188 K HN 0.218 8.497 8.250 0.050 0.000 0.285 189 D N 0.281 120.763 120.400 0.136 0.000 2.807 189 D HA 0.249 5.007 4.640 0.197 0.000 0.279 189 D C -1.887 174.480 176.300 0.111 0.000 1.247 189 D CA -0.530 53.558 54.000 0.147 0.000 0.749 189 D CB 3.709 44.578 40.800 0.115 0.000 1.264 189 D HN -0.011 8.414 8.370 0.092 0.000 0.421 190 S N -1.351 114.428 115.700 0.132 0.000 2.686 190 S HA 0.282 4.854 4.470 0.083 -0.053 0.270 190 S C -1.432 173.210 174.600 0.070 0.000 1.194 190 S CA -0.233 58.033 58.200 0.110 0.000 0.990 190 S CB 1.679 64.983 63.200 0.174 0.000 1.029 190 S HN 0.231 8.641 8.310 0.166 0.000 0.560 191 c N -1.717 116.926 118.600 0.072 0.000 3.293 191 c HA 0.260 4.867 4.570 0.062 0.000 0.362 191 c C -1.255 172.906 174.090 0.118 0.000 1.539 191 c CA -0.836 55.534 56.329 0.069 0.000 1.201 191 c CB 2.798 45.326 42.510 0.030 0.000 1.770 191 c HN 0.281 8.817 8.230 0.088 -0.252 0.440 192 Q N 1.089 120.973 119.800 0.140 0.000 2.364 192 Q HA -0.092 4.375 4.340 0.212 0.000 0.267 192 Q C 0.752 176.939 176.000 0.312 0.000 0.999 192 Q CA 0.815 56.748 55.803 0.217 0.000 0.886 192 Q CB 0.006 28.876 28.738 0.219 0.000 1.243 192 Q HN 0.520 8.857 8.270 0.111 0.000 0.415 193 G N 3.802 112.803 108.800 0.335 0.000 2.259 193 G HA2 -0.405 3.783 3.960 0.379 0.000 0.217 193 G HA3 -0.405 3.919 3.960 0.606 0.000 0.217 193 G C 0.392 175.536 174.900 0.407 0.000 1.001 193 G CA 0.991 46.357 45.100 0.443 0.000 0.627 193 G HN 0.840 9.301 8.290 0.284 0.000 0.501 194 D N 1.388 121.955 120.400 0.279 0.000 2.346 194 D HA 0.101 4.893 4.640 0.253 0.000 0.206 194 D C 0.142 176.547 176.300 0.175 0.000 1.001 194 D CA 0.720 54.850 54.000 0.217 0.000 0.871 194 D CB 0.544 41.434 40.800 0.149 0.000 0.943 194 D HN -0.046 8.360 8.370 0.247 0.112 0.518 195 S N -0.727 115.075 115.700 0.170 0.000 2.561 195 S HA -0.495 4.203 4.470 0.142 -0.143 0.294 195 S C 0.973 175.589 174.600 0.026 0.000 1.294 195 S CA 3.022 61.295 58.200 0.122 0.000 1.055 195 S CB -0.029 63.269 63.200 0.164 0.000 0.819 195 S HN -0.475 7.915 8.310 0.202 0.041 0.503 196 G N 4.051 112.855 108.800 0.006 0.000 2.253 196 G HA2 -0.452 3.566 3.960 -0.026 0.000 0.251 196 G HA3 -0.452 3.591 3.960 -0.056 -0.117 0.251 196 G C -0.069 174.868 174.900 0.061 0.000 0.998 196 G CA 0.198 45.291 45.100 -0.011 0.000 0.621 196 G HN 0.750 8.958 8.290 0.041 0.106 0.524 197 G N 1.006 109.867 108.800 0.100 0.000 2.616 197 G HA2 0.319 4.356 3.960 0.130 0.000 0.268 197 G HA3 0.319 4.355 3.960 0.127 0.000 0.268 197 G C -2.608 172.376 174.900 0.140 0.000 1.213 197 G CA -1.981 43.195 45.100 0.126 0.000 0.926 197 G HN -0.398 7.864 8.290 0.106 0.092 0.523 198 P HA 0.319 4.945 4.420 0.130 -0.128 0.281 198 P C -1.581 175.786 177.300 0.113 0.000 1.249 198 P CA -0.777 62.416 63.100 0.154 0.000 0.810 198 P CB 1.537 33.388 31.700 0.253 0.000 1.008 199 V N 2.050 122.009 119.914 0.074 0.000 2.419 199 V HA 0.302 4.592 4.120 -0.008 -0.175 0.287 199 V C -1.323 174.782 176.094 0.017 0.000 1.017 199 V CA -0.436 61.871 62.300 0.011 0.000 0.844 199 V CB 1.962 33.762 31.823 -0.038 0.000 1.011 199 V HN -0.221 8.017 8.190 0.079 0.000 0.429 200 V N 8.046 127.962 119.914 0.003 0.000 2.417 200 V HA 0.663 4.938 4.120 -0.068 -0.196 0.291 200 V C -1.359 174.717 176.094 -0.030 0.000 1.024 200 V CA -1.265 61.009 62.300 -0.043 0.000 0.861 200 V CB 2.882 34.656 31.823 -0.081 0.000 0.985 200 V HN 0.599 8.806 8.190 0.028 0.000 0.436 201 c N 6.461 125.030 118.600 -0.052 0.000 2.482 201 c HA 0.612 5.160 4.570 -0.037 0.000 0.317 201 c C 0.626 174.685 174.090 -0.052 0.000 1.197 201 c CA -1.707 54.590 56.329 -0.054 0.000 1.432 201 c CB 2.077 44.534 42.510 -0.088 0.000 2.062 201 c HN 0.677 8.869 8.230 -0.063 0.000 0.471 202 S N 5.334 121.012 115.700 -0.037 0.000 3.549 202 S HA -0.391 4.067 4.470 -0.020 0.000 0.366 202 S C 0.124 174.704 174.600 -0.033 0.000 1.012 202 S CA 1.274 59.456 58.200 -0.031 0.000 1.141 202 S CB -0.945 62.232 63.200 -0.038 0.000 0.910 202 S HN 1.205 9.498 8.310 -0.028 0.000 0.471 203 G N -5.001 103.779 108.800 -0.034 0.000 2.148 203 G HA2 -0.363 3.572 3.960 -0.041 0.000 0.254 203 G HA3 -0.363 3.579 3.960 -0.030 0.000 0.254 203 G C -0.785 174.069 174.900 -0.078 0.000 0.981 203 G CA 0.375 45.448 45.100 -0.045 0.000 0.670 203 G HN 0.412 8.666 8.290 -0.027 0.020 0.528 210 Q N 1.120 120.938 119.800 0.031 0.000 2.392 210 Q HA 0.211 4.588 4.340 0.062 0.000 0.219 210 Q C -0.267 175.895 176.000 0.270 0.000 0.895 210 Q CA 0.099 55.944 55.803 0.069 0.000 0.929 210 Q CB 2.727 31.424 28.738 -0.068 0.000 1.077 210 Q HN 0.418 8.697 8.270 0.014 0.000 0.532 211 G N -2.874 106.093 108.800 0.278 0.000 2.695 211 G HA2 0.605 5.060 3.960 0.404 0.000 0.290 211 G HA3 0.605 4.817 3.960 0.420 0.000 0.290 211 G C -3.256 171.764 174.900 0.199 0.000 1.410 211 G CA -0.590 44.717 45.100 0.346 0.000 0.844 211 G HN -0.310 8.080 8.290 0.166 0.000 0.478 212 I N -1.277 119.410 120.570 0.195 0.000 2.533 212 I HA 0.535 5.015 4.170 0.160 -0.214 0.290 212 I C -0.527 175.722 176.117 0.220 0.000 1.056 212 I CA -1.339 60.060 61.300 0.165 0.000 1.057 212 I CB 4.322 42.380 38.000 0.097 0.000 1.240 212 I HN -0.416 7.906 8.210 0.185 0.000 0.423 213 V N 7.301 127.357 119.914 0.237 0.000 2.493 213 V HA -0.224 3.962 4.120 0.110 0.000 0.292 213 V C -1.158 174.967 176.094 0.053 0.000 1.016 213 V CA 2.098 64.491 62.300 0.155 0.000 1.097 213 V CB -1.037 30.894 31.823 0.181 0.000 0.947 213 V HN 0.481 8.793 8.190 0.204 0.000 0.479 214 S N 8.312 123.952 115.700 -0.101 0.000 3.142 214 S HA 0.343 5.023 4.470 0.350 0.000 0.223 214 S C -1.108 173.602 174.600 0.184 0.000 0.939 214 S CA 0.604 58.887 58.200 0.138 0.000 0.826 214 S CB 2.016 65.284 63.200 0.114 0.000 0.823 214 S HN -0.056 7.988 8.310 -0.444 0.000 0.612 215 W N -3.504 117.640 121.300 -0.260 0.000 2.962 215 W HA 0.313 4.862 4.660 -0.184 0.000 0.405 215 W C -2.730 173.612 176.519 -0.295 0.000 1.121 215 W CA -0.902 56.292 57.345 -0.251 0.000 1.164 215 W CB 1.692 30.995 29.460 -0.261 0.000 1.489 215 W HN 0.118 7.995 8.180 -0.505 0.000 0.599 216 G N -2.284 106.555 108.800 0.065 0.000 2.325 216 G HA2 0.118 3.779 3.960 -0.499 0.000 0.295 216 G HA3 0.118 4.011 3.960 -0.112 0.000 0.295 216 G C -2.256 172.771 174.900 0.212 0.000 1.274 216 G CA 0.235 45.272 45.100 -0.104 0.000 0.857 216 G HN -0.016 8.523 8.290 0.416 0.000 0.499 220 c N 1.749 120.384 118.600 0.058 0.000 3.465 220 c HA 0.307 5.058 4.570 0.057 -0.147 0.193 220 c C -1.351 172.768 174.090 0.048 0.000 1.515 220 c CA -1.072 55.287 56.329 0.051 0.000 1.340 220 c CB -1.399 41.133 42.510 0.037 0.000 1.928 220 c HN 0.317 8.577 8.230 0.051 0.000 0.510 221 Q N -1.844 117.988 119.800 0.053 0.000 2.920 221 Q HA 0.089 4.449 4.340 0.033 0.000 0.255 221 Q C -1.441 174.581 176.000 0.037 0.000 0.976 221 Q CA -0.744 55.084 55.803 0.040 0.000 0.862 221 Q CB 2.101 30.863 28.738 0.040 0.000 1.952 221 Q HN -0.079 8.228 8.270 0.061 0.000 0.489 222 K N 2.917 123.333 120.400 0.025 0.000 2.382 222 K HA -0.252 4.208 4.320 0.034 -0.119 0.275 222 K C 0.052 176.652 176.600 -0.001 0.000 1.009 222 K CA 0.834 57.133 56.287 0.020 0.000 0.970 222 K CB 0.102 32.610 32.500 0.014 0.000 0.934 222 K HN 0.241 8.504 8.250 0.022 0.000 0.479 223 N N 1.848 120.545 118.700 -0.005 0.000 2.713 223 N HA -0.360 4.359 4.740 -0.035 0.000 0.251 223 N C -1.211 174.235 175.510 -0.106 0.000 1.117 223 N CA 1.935 54.957 53.050 -0.047 0.000 0.770 223 N CB -0.870 37.581 38.487 -0.059 0.000 1.137 223 N HN 0.653 8.926 8.380 0.015 0.116 0.566 224 K N -1.404 118.964 120.400 -0.053 0.000 2.877 224 K HA 0.526 4.702 4.320 -0.240 0.000 0.176 224 K C -2.326 174.325 176.600 0.084 0.000 1.075 224 K CA -3.698 52.563 56.287 -0.044 0.000 0.939 224 K CB 0.273 32.791 32.500 0.030 0.000 1.237 224 K HN -0.732 7.453 8.250 -0.004 0.063 0.607 225 P HA -0.055 4.423 4.420 0.097 0.000 0.273 225 P C -0.652 176.683 177.300 0.057 0.000 1.250 225 P CA -0.399 62.759 63.100 0.098 0.000 0.793 225 P CB 1.113 32.862 31.700 0.081 0.000 1.011 226 G N -2.409 106.396 108.800 0.009 0.000 2.503 226 G HA2 0.294 4.058 3.960 -0.327 0.000 0.257 226 G HA3 0.294 4.173 3.960 -0.242 -0.065 0.257 226 G C -1.786 172.789 174.900 -0.541 0.000 1.214 226 G CA -0.684 44.251 45.100 -0.276 0.000 0.839 226 G HN -0.382 7.973 8.290 0.108 0.000 0.559 227 V N 1.983 121.261 119.914 -1.061 0.000 2.495 227 V HA 0.631 4.492 4.120 -0.715 -0.170 0.298 227 V C -0.974 174.355 176.094 -1.275 0.000 1.031 227 V CA -0.964 60.654 62.300 -1.137 0.000 0.871 227 V CB 2.005 32.688 31.823 -1.900 0.000 0.988 227 V HN 0.510 8.049 8.190 -1.086 0.000 0.432 228 Y N 5.163 125.052 120.300 -0.685 0.000 2.536 228 Y HA 0.592 5.059 4.550 -0.366 -0.136 0.347 228 Y C 0.253 175.882 175.900 -0.452 0.000 1.000 228 Y CA -2.307 55.417 58.100 -0.628 0.000 1.051 228 Y CB 3.822 41.651 38.460 -1.052 0.000 1.259 228 Y HN 1.081 8.977 8.280 -0.641 0.000 0.468 229 T N 4.752 119.282 114.554 -0.040 0.000 2.870 229 T HA 0.011 4.573 4.350 0.112 -0.144 0.300 229 T C -0.672 174.171 174.700 0.239 0.000 0.989 229 T CA 1.537 63.694 62.100 0.094 0.000 1.139 229 T CB 0.464 69.368 68.868 0.061 0.000 0.920 229 T HN 0.411 8.656 8.240 0.008 0.000 0.537 230 K N 8.308 128.933 120.400 0.374 0.000 2.171 230 K HA 0.119 4.876 4.320 0.727 0.000 0.274 230 K C 1.023 177.886 176.600 0.439 0.000 1.110 230 K CA -0.574 56.013 56.287 0.501 0.000 0.952 230 K CB -0.341 32.407 32.500 0.414 0.000 1.309 230 K HN 0.188 8.535 8.250 0.337 0.105 0.414 231 V N 5.977 126.128 119.914 0.395 0.000 2.469 231 V HA -0.523 3.910 4.120 0.521 0.000 0.251 231 V C 1.379 177.644 176.094 0.284 0.000 1.064 231 V CA 3.796 66.318 62.300 0.370 0.000 1.066 231 V CB -0.319 31.643 31.823 0.233 0.000 0.667 231 V HN 0.276 8.707 8.190 0.403 0.000 0.461 232 c N -3.952 114.746 118.600 0.164 0.000 2.409 232 c HA -0.189 4.427 4.570 0.077 0.000 0.288 232 c C 1.431 175.540 174.090 0.033 0.000 1.395 232 c CA 1.384 57.758 56.329 0.076 0.000 1.792 232 c CB -2.119 40.405 42.510 0.022 0.000 1.847 232 c HN 0.485 8.788 8.230 0.159 0.022 0.534 233 N N 0.717 119.404 118.700 -0.021 0.000 2.467 233 N HA -0.057 4.592 4.740 -0.151 0.000 0.184 233 N C 0.227 175.510 175.510 -0.379 0.000 1.106 233 N CA 1.036 53.938 53.050 -0.247 0.000 0.892 233 N CB -0.044 38.162 38.487 -0.468 0.000 0.969 233 N HN -0.453 7.917 8.380 0.062 0.048 0.454 234 Y N -4.504 115.877 120.300 0.135 0.000 2.531 234 Y HA 0.169 4.881 4.550 0.269 0.000 0.249 234 Y C 0.157 176.200 175.900 0.239 0.000 1.168 234 Y CA -0.712 57.532 58.100 0.240 0.000 1.226 234 Y CB -0.052 38.591 38.460 0.305 0.000 1.177 234 Y HN -0.133 8.076 8.280 0.190 0.186 0.527 235 V N 0.660 120.711 119.914 0.228 0.000 2.332 235 V HA -0.542 3.663 4.120 0.141 0.000 0.248 235 V C 1.556 177.713 176.094 0.105 0.000 1.055 235 V CA 5.060 67.444 62.300 0.139 0.000 1.038 235 V CB -0.597 31.270 31.823 0.073 0.000 0.651 235 V HN -0.576 7.711 8.190 0.163 0.000 0.450 236 S N -0.047 115.721 115.700 0.113 0.000 2.368 236 S HA -0.338 4.150 4.470 0.031 0.000 0.225 236 S C 1.905 176.568 174.600 0.105 0.000 1.030 236 S CA 2.798 61.046 58.200 0.081 0.000 0.999 236 S CB -0.451 62.797 63.200 0.080 0.000 0.844 236 S HN -0.085 8.293 8.310 0.113 0.000 0.459 237 W N 4.274 125.610 121.300 0.059 0.000 2.358 237 W HA -0.161 4.514 4.660 0.025 0.000 0.303 237 W C 1.736 178.264 176.519 0.014 0.000 1.208 237 W CA 2.922 60.305 57.345 0.065 0.000 1.274 237 W CB -0.160 29.416 29.460 0.193 0.000 1.138 237 W HN -0.370 8.034 8.180 0.373 0.000 0.515 238 I N -0.586 119.902 120.570 -0.137 0.000 2.142 238 I HA -0.764 2.876 4.170 -0.884 0.000 0.240 238 I C 1.795 177.650 176.117 -0.436 0.000 1.078 238 I CA 4.575 65.613 61.300 -0.437 0.000 1.343 238 I CB -0.244 37.683 38.000 -0.121 0.000 1.046 238 I HN 0.322 8.667 8.210 0.225 0.000 0.405 239 K N -1.339 118.917 120.400 -0.240 0.000 2.063 239 K HA -0.493 3.674 4.320 -0.255 0.000 0.208 239 K C 2.852 179.298 176.600 -0.257 0.000 1.048 239 K CA 3.833 59.986 56.287 -0.223 0.000 0.928 239 K CB -0.298 32.133 32.500 -0.115 0.000 0.713 239 K HN 0.002 8.174 8.250 -0.129 0.000 0.442 240 Q N -2.097 117.565 119.800 -0.230 0.000 2.079 240 Q HA -0.282 3.968 4.340 -0.150 0.000 0.200 240 Q C 2.582 178.406 176.000 -0.294 0.000 0.974 240 Q CA 3.496 59.179 55.803 -0.200 0.000 0.840 240 Q CB 0.023 28.695 28.738 -0.111 0.000 0.898 240 Q HN 0.111 8.266 8.270 -0.192 0.000 0.430 241 T N 2.308 116.570 114.554 -0.486 0.000 2.737 241 T HA -0.294 3.841 4.350 -0.358 0.000 0.265 241 T C 2.336 176.677 174.700 -0.598 0.000 1.038 241 T CA 4.861 66.628 62.100 -0.555 0.000 1.144 241 T CB -0.215 68.087 68.868 -0.943 0.000 0.866 241 T HN 0.014 7.903 8.240 -0.585 0.000 0.434 242 I N -2.584 117.486 120.570 -0.834 0.000 2.394 242 I HA -0.207 2.997 4.170 -1.610 0.000 0.251 242 I C 1.388 177.242 176.117 -0.439 0.000 1.136 242 I CA 3.060 63.694 61.300 -1.110 0.000 1.425 242 I CB -0.621 36.528 38.000 -1.418 0.000 1.079 242 I HN -0.055 7.679 8.210 -0.795 0.000 0.425 243 A N -0.122 122.517 122.820 -0.303 0.000 2.066 243 A HA -0.151 4.118 4.320 -0.086 0.000 0.218 243 A C 0.778 178.319 177.584 -0.071 0.000 1.157 243 A CA 2.062 54.020 52.037 -0.132 0.000 0.670 243 A CB -0.305 18.626 19.000 -0.115 0.000 0.804 243 A HN -0.233 7.696 8.150 -0.350 0.011 0.453 244 S N -3.627 112.016 115.700 -0.095 0.000 2.557 244 S HA 0.132 4.594 4.470 -0.014 0.000 0.223 244 S C -0.795 173.818 174.600 0.022 0.000 0.969 244 S CA 0.637 58.817 58.200 -0.034 0.000 0.927 244 S CB 0.598 63.768 63.200 -0.050 0.000 0.806 244 S HN -0.509 7.551 8.310 -0.173 0.146 0.489 245 N N 0.000 118.746 118.700 0.077 0.000 1.763 245 N HA 0.000 4.830 4.740 0.149 0.000 0.220 245 N CA 0.000 53.183 53.050 0.221 0.000 0.885 245 N CB 0.000 38.683 38.487 0.327 0.000 1.341 245 N HN 0.000 8.237 8.380 0.041 0.168 0.667