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 1c2l_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 4.176 4.170 0.010 0.000 0.288 16 I C 0.000 176.099 176.117 -0.030 0.000 1.063 16 I CA 0.000 61.288 61.300 -0.021 0.000 1.566 16 I CB 0.000 37.966 38.000 -0.057 0.000 1.214 17 V N 3.031 122.941 119.914 -0.006 0.000 2.628 17 V HA 0.309 4.415 4.120 -0.022 0.000 0.306 17 V C 0.469 176.565 176.094 0.003 0.000 1.045 17 V CA -1.907 60.388 62.300 -0.008 0.000 0.905 17 V CB 1.930 33.752 31.823 -0.001 0.000 0.997 17 V HN 0.775 8.975 8.190 0.016 0.000 0.436 18 G N 5.196 113.993 108.800 -0.005 0.000 2.203 18 G HA2 -0.405 3.549 3.960 -0.009 0.000 0.263 18 G HA3 -0.405 3.670 3.960 -0.025 -0.130 0.263 18 G C -0.584 174.328 174.900 0.021 0.000 1.012 18 G CA 0.688 45.783 45.100 -0.008 0.000 0.749 18 G HN 0.732 9.016 8.290 -0.010 0.000 0.512 19 G N -1.946 106.866 108.800 0.019 0.000 2.642 19 G HA2 0.547 4.560 3.960 0.102 0.000 0.291 19 G HA3 0.547 4.538 3.960 -0.067 -0.071 0.291 19 G C -1.763 173.182 174.900 0.075 0.000 1.345 19 G CA -1.276 43.838 45.100 0.024 0.000 1.043 19 G HN -0.730 7.516 8.290 -0.002 0.043 0.528 20 Y N -5.925 114.357 120.300 -0.032 0.000 2.693 20 Y HA 0.433 4.965 4.550 -0.030 0.000 0.331 20 Y C -1.754 174.119 175.900 -0.045 0.000 1.092 20 Y CA -2.881 55.200 58.100 -0.033 0.000 1.131 20 Y CB 1.206 39.649 38.460 -0.027 0.000 1.318 20 Y HN 0.379 8.257 8.280 -0.495 0.105 0.510 21 T N 2.155 116.763 114.554 0.091 0.000 2.761 21 T HA 0.146 4.603 4.350 -0.122 -0.180 0.296 21 T C 0.276 174.981 174.700 0.009 0.000 0.934 21 T CA 1.240 63.329 62.100 -0.018 0.000 1.091 21 T CB -0.152 68.738 68.868 0.037 0.000 0.896 21 T HN 0.161 8.528 8.240 0.211 0.000 0.515 22 c N 6.013 124.507 118.600 -0.178 0.000 2.413 22 c HA -0.137 4.395 4.570 -0.062 0.000 0.277 22 c C -0.125 173.978 174.090 0.023 0.000 1.228 22 c CA 1.161 57.424 56.329 -0.111 0.000 1.731 22 c CB -0.211 42.169 42.510 -0.217 0.000 2.042 22 c HN 0.422 8.495 8.230 -0.261 0.000 0.468 23 G N -5.015 103.773 108.800 -0.021 0.000 2.335 23 G HA2 -0.165 3.806 3.960 0.018 0.000 0.592 23 G HA3 -0.165 3.808 3.960 0.022 0.000 0.592 23 G C -2.943 171.949 174.900 -0.015 0.000 1.442 23 G CA -1.009 44.095 45.100 0.006 0.000 0.976 23 G HN -0.719 7.530 8.290 -0.068 0.000 0.652 24 A N 2.047 124.870 122.820 0.005 0.000 2.505 24 A HA -0.176 4.365 4.320 0.020 -0.209 0.271 24 A C -0.325 177.260 177.584 0.001 0.000 1.112 24 A CA 1.084 53.129 52.037 0.013 0.000 0.781 24 A CB -0.519 18.496 19.000 0.025 0.000 1.059 24 A HN 0.126 8.285 8.150 0.014 0.000 0.508 25 N N -0.954 117.740 118.700 -0.011 0.000 2.780 25 N HA -0.335 4.379 4.740 -0.043 0.000 0.247 25 N C -0.675 174.805 175.510 -0.051 0.000 1.076 25 N CA 1.170 54.203 53.050 -0.029 0.000 0.688 25 N CB -1.795 36.691 38.487 -0.002 0.000 0.957 25 N HN 0.214 8.590 8.380 -0.008 0.000 0.551 26 T N -1.326 113.181 114.554 -0.078 0.000 3.040 26 T HA 0.036 4.367 4.350 -0.031 0.000 0.250 26 T C -1.054 173.572 174.700 -0.123 0.000 1.058 26 T CA 0.494 62.558 62.100 -0.060 0.000 0.988 26 T CB 0.625 69.480 68.868 -0.022 0.000 0.993 26 T HN -0.544 7.639 8.240 -0.096 0.000 0.519 27 V N -2.234 117.528 119.914 -0.255 0.000 2.271 27 V HA 0.487 4.243 4.120 -0.606 0.000 0.259 27 V C -1.189 174.510 176.094 -0.659 0.000 1.030 27 V CA -4.798 57.146 62.300 -0.593 0.000 0.957 27 V CB -0.671 30.822 31.823 -0.550 0.000 1.186 27 V HN -0.530 7.468 8.190 -0.224 0.058 0.471 28 P HA 0.019 4.463 4.420 -0.119 -0.096 0.230 28 P C -0.135 177.106 177.300 -0.100 0.000 1.158 28 P CA 1.737 64.743 63.100 -0.156 0.000 0.769 28 P CB -0.000 31.688 31.700 -0.020 0.000 0.807 29 Y N -5.807 114.516 120.300 0.038 0.000 2.466 29 Y HA 0.576 5.346 4.550 0.055 -0.187 0.272 29 Y C -0.797 175.139 175.900 0.061 0.000 1.169 29 Y CA -3.828 54.302 58.100 0.049 0.000 1.285 29 Y CB -1.580 36.905 38.460 0.041 0.000 1.078 29 Y HN -0.384 7.276 8.280 -0.921 0.068 0.523 30 Q N 2.573 122.268 119.800 -0.175 0.000 2.304 30 Q HA 0.275 4.803 4.340 0.110 -0.122 0.260 30 Q C -0.463 175.624 176.000 0.145 0.000 0.965 30 Q CA -0.070 55.724 55.803 -0.015 0.000 0.898 30 Q CB 1.543 30.157 28.738 -0.206 0.000 1.196 30 Q HN -0.486 7.349 8.270 -0.426 0.179 0.402 31 V N 1.072 121.116 119.914 0.217 0.000 2.960 31 V HA 0.841 5.212 4.120 0.215 -0.122 0.315 31 V C -1.919 174.346 176.094 0.284 0.000 1.087 31 V CA -2.906 59.524 62.300 0.216 0.000 0.982 31 V CB 4.044 35.938 31.823 0.119 0.000 1.039 31 V HN 0.552 8.868 8.190 0.209 0.000 0.437 32 S N 1.838 117.612 115.700 0.122 0.000 2.473 32 S HA 0.480 5.179 4.470 0.182 -0.120 0.307 32 S C -1.222 173.267 174.600 -0.186 0.000 1.094 32 S CA -2.307 55.882 58.200 -0.018 0.000 1.070 32 S CB 1.379 64.366 63.200 -0.355 0.000 1.019 32 S HN 0.163 8.516 8.310 0.072 0.000 0.480 33 L N 6.905 127.875 121.223 -0.423 0.000 2.295 33 L HA 0.626 4.923 4.340 -0.305 -0.139 0.285 33 L C -1.369 175.106 176.870 -0.658 0.000 1.035 33 L CA -0.911 53.589 54.840 -0.567 0.000 0.806 33 L CB 1.394 42.908 42.059 -0.909 0.000 1.214 33 L HN 0.909 8.716 8.230 -0.533 0.103 0.426 38 G N 0.281 108.868 108.800 -0.356 0.000 2.232 38 G HA2 -0.276 3.622 3.960 -0.104 0.000 0.226 38 G HA3 -0.276 3.642 3.960 -0.070 0.000 0.226 38 G C -1.821 173.059 174.900 -0.034 0.000 0.996 38 G CA 0.270 45.274 45.100 -0.159 0.000 0.626 38 G HN 0.007 8.399 8.290 -0.289 -0.275 0.509 39 Y N -6.731 113.549 120.300 -0.034 0.000 2.677 39 Y HA 0.208 4.725 4.550 -0.055 0.000 0.334 39 Y C -2.413 173.504 175.900 0.027 0.000 1.196 39 Y CA -3.596 54.489 58.100 -0.025 0.000 1.059 39 Y CB 0.830 39.273 38.460 -0.027 0.000 1.315 39 Y HN -1.261 6.531 8.280 -0.780 0.020 0.455 40 H N 2.270 121.357 119.070 0.028 0.000 2.848 40 H HA -0.081 4.524 4.556 -0.224 -0.183 0.317 40 H C -0.338 175.069 175.328 0.132 0.000 1.046 40 H CA 0.779 56.774 56.048 -0.087 0.000 1.470 40 H CB 0.155 29.800 29.762 -0.194 0.000 1.483 40 H HN 0.402 8.815 8.280 0.221 0.000 0.548 41 F N 2.793 122.425 119.950 -0.530 0.000 2.880 41 F HA 0.408 4.925 4.527 -0.017 0.000 0.346 41 F C -1.750 173.879 175.800 -0.286 0.000 1.054 41 F CA -0.549 57.322 58.000 -0.215 0.000 1.151 41 F CB 1.848 40.812 39.000 -0.060 0.000 1.066 41 F HN -0.125 7.554 8.300 -1.036 0.000 0.566 42 c N -1.833 116.043 118.600 -1.207 0.000 3.306 42 c HA 0.267 4.921 4.570 -0.221 -0.217 0.335 42 c C -1.729 172.098 174.090 -0.438 0.000 1.382 42 c CA -0.184 55.778 56.329 -0.613 0.000 1.254 42 c CB 4.124 46.322 42.510 -0.520 0.000 1.555 42 c HN -0.805 6.396 8.230 -1.716 0.000 0.463 43 G N -0.873 107.885 108.800 -0.070 0.000 2.597 43 G HA2 0.811 5.079 3.960 0.239 0.000 0.317 43 G HA3 0.811 4.904 3.960 0.222 0.000 0.317 43 G C -2.592 172.333 174.900 0.042 0.000 1.230 43 G CA -1.658 43.520 45.100 0.131 0.000 0.996 43 G HN 0.741 8.900 8.290 -0.044 0.105 0.490 44 G N -3.568 105.294 108.800 0.104 0.000 2.608 44 G HA2 0.633 4.892 3.960 0.074 0.000 0.291 44 G HA3 0.633 4.629 3.960 0.060 0.000 0.291 44 G C -3.002 171.985 174.900 0.145 0.000 1.425 44 G CA 0.014 45.167 45.100 0.088 0.000 0.787 44 G HN -0.403 7.991 8.290 0.173 0.000 0.484 45 S N -0.505 115.284 115.700 0.147 0.000 2.521 45 S HA 0.875 5.701 4.470 0.258 -0.201 0.295 45 S C -1.378 173.323 174.600 0.168 0.000 1.098 45 S CA -0.891 57.425 58.200 0.194 0.000 0.999 45 S CB 3.741 67.040 63.200 0.164 0.000 1.034 45 S HN 0.452 8.835 8.310 0.123 0.000 0.483 46 L N 6.150 127.487 121.223 0.190 0.000 2.313 46 L HA 0.211 4.759 4.340 0.148 -0.119 0.282 46 L C -0.592 176.363 176.870 0.141 0.000 1.092 46 L CA -0.306 54.629 54.840 0.159 0.000 0.831 46 L CB 1.105 43.256 42.059 0.154 0.000 1.159 46 L HN 0.473 8.850 8.230 0.246 0.000 0.442 47 I N -0.129 120.524 120.570 0.138 0.000 3.941 47 I HA 0.408 4.771 4.170 0.072 -0.150 0.321 47 I C -0.865 175.313 176.117 0.101 0.000 1.284 47 I CA -0.314 61.046 61.300 0.100 0.000 1.226 47 I CB 0.615 38.665 38.000 0.084 0.000 1.045 47 I HN 0.562 8.872 8.210 0.168 0.000 0.420 48 N N -2.181 116.600 118.700 0.135 0.000 3.355 48 N HA 0.034 4.830 4.740 0.094 0.000 0.238 48 N C -0.586 175.000 175.510 0.126 0.000 1.466 48 N CA -0.379 52.745 53.050 0.123 0.000 0.882 48 N CB 0.930 39.495 38.487 0.130 0.000 1.406 48 N HN -0.877 7.598 8.380 0.158 0.000 0.500 49 S N -1.357 114.402 115.700 0.098 0.000 2.407 49 S HA -0.389 4.116 4.470 0.059 0.000 0.235 49 S C 0.986 175.612 174.600 0.043 0.000 1.036 49 S CA 2.862 61.102 58.200 0.066 0.000 1.013 49 S CB 0.060 63.289 63.200 0.049 0.000 0.820 49 S HN 0.479 8.842 8.310 0.089 0.000 0.476 50 Q N -2.587 117.249 119.800 0.061 0.000 2.247 50 Q HA 0.205 4.465 4.340 -0.133 0.000 0.211 50 Q C -0.917 174.918 176.000 -0.274 0.000 0.861 50 Q CA 0.265 56.006 55.803 -0.104 0.000 0.949 50 Q CB 0.992 29.657 28.738 -0.121 0.000 1.115 50 Q HN 0.048 8.373 8.270 0.141 0.029 0.507 51 W N -2.365 118.940 121.300 0.009 0.000 2.936 51 W HA 0.617 5.465 4.660 0.006 -0.184 0.338 51 W C -1.540 174.991 176.519 0.021 0.000 1.121 51 W CA -0.872 56.477 57.345 0.007 0.000 1.209 51 W CB 3.829 33.282 29.460 -0.013 0.000 1.420 51 W HN -0.547 7.781 8.180 0.246 0.000 0.516 52 V N 1.272 121.351 119.914 0.276 0.000 2.735 52 V HA 0.849 5.264 4.120 0.173 -0.191 0.310 52 V C -1.425 174.788 176.094 0.198 0.000 1.061 52 V CA -1.839 60.572 62.300 0.185 0.000 0.913 52 V CB 3.783 35.670 31.823 0.107 0.000 1.005 52 V HN 0.828 9.202 8.190 0.306 0.000 0.428 53 V N 1.623 121.628 119.914 0.151 0.000 2.555 53 V HA 1.036 5.435 4.120 0.157 -0.185 0.302 53 V C -1.611 174.541 176.094 0.097 0.000 1.038 53 V CA -2.799 59.582 62.300 0.134 0.000 0.887 53 V CB 2.330 34.223 31.823 0.117 0.000 0.991 53 V HN 0.530 8.803 8.190 0.139 0.000 0.434 54 S N 4.029 119.772 115.700 0.073 0.000 2.880 54 S HA 0.575 5.240 4.470 0.029 -0.177 0.308 54 S C -1.850 172.734 174.600 -0.028 0.000 1.195 54 S CA -2.379 55.834 58.200 0.021 0.000 0.866 54 S CB 2.397 65.598 63.200 0.002 0.000 1.254 54 S HN 0.561 8.924 8.310 0.088 0.000 0.571 55 A N -0.485 122.270 122.820 -0.109 0.000 2.310 55 A HA 0.420 4.808 4.320 -0.155 -0.161 0.299 55 A C 0.539 177.973 177.584 -0.250 0.000 1.147 55 A CA -1.412 50.496 52.037 -0.214 0.000 0.818 55 A CB 1.163 19.903 19.000 -0.433 0.000 1.096 55 A HN 0.414 8.494 8.150 -0.117 0.000 0.495 56 A N 4.829 127.443 122.820 -0.344 0.000 2.015 56 A HA -0.227 3.944 4.320 -0.248 0.000 0.219 56 A C 1.300 178.652 177.584 -0.386 0.000 1.163 56 A CA 2.715 54.456 52.037 -0.494 0.000 0.646 56 A CB -0.276 18.027 19.000 -1.163 0.000 0.806 56 A HN 0.559 8.556 8.150 -0.337 -0.049 0.448 57 H N -5.183 113.738 119.070 -0.248 0.000 2.563 57 H HA -0.083 4.521 4.556 0.081 0.000 0.272 57 H C 0.048 175.440 175.328 0.105 0.000 1.005 57 H CA 1.348 57.412 56.048 0.026 0.000 1.171 57 H CB -1.250 28.592 29.762 0.133 0.000 1.351 57 H HN -0.009 8.366 8.280 -0.311 -0.282 0.602 58 c N -1.854 116.717 118.600 -0.048 0.000 2.791 58 c HA 0.042 4.767 4.570 0.259 0.000 0.270 58 c C -0.752 173.459 174.090 0.203 0.000 1.257 58 c CA 0.049 56.462 56.329 0.141 0.000 1.699 58 c CB -1.656 40.890 42.510 0.059 0.000 1.904 58 c HN -0.448 7.470 8.230 -0.177 0.205 0.603 59 Y N 2.366 122.685 120.300 0.032 0.000 2.526 59 Y HA -0.237 4.342 4.550 0.047 0.000 0.330 59 Y C -1.276 174.612 175.900 -0.020 0.000 1.156 59 Y CA 1.700 59.813 58.100 0.023 0.000 1.419 59 Y CB 0.433 38.894 38.460 0.001 0.000 1.250 59 Y HN -0.553 7.654 8.280 0.189 0.186 0.540 60 K N 7.245 127.090 120.400 -0.925 0.000 2.556 60 K HA 0.160 4.065 4.320 -0.692 0.000 0.274 60 K C -1.931 174.159 176.600 -0.850 0.000 0.966 60 K CA -1.199 54.611 56.287 -0.796 0.000 0.865 60 K CB 3.388 35.481 32.500 -0.679 0.000 1.444 60 K HN 0.144 7.879 8.250 -0.859 0.000 0.433 61 S N -0.340 115.033 115.700 -0.546 0.000 2.565 61 S HA 0.105 4.387 4.470 -0.314 0.000 0.290 61 S C 0.123 174.580 174.600 -0.238 0.000 1.150 61 S CA 0.258 58.268 58.200 -0.317 0.000 1.058 61 S CB 0.424 63.527 63.200 -0.162 0.000 1.032 61 S HN 0.152 8.197 8.310 -0.442 0.000 0.510 62 G N 3.694 112.396 108.800 -0.163 0.000 2.303 62 G HA2 -0.343 3.557 3.960 -0.101 0.000 0.260 62 G HA3 -0.343 3.530 3.960 -0.146 0.000 0.260 62 G C -1.982 172.837 174.900 -0.135 0.000 1.106 62 G CA -0.228 44.790 45.100 -0.136 0.000 0.900 62 G HN 0.399 8.609 8.290 -0.133 0.000 0.495 63 I N -0.958 119.553 120.570 -0.097 0.000 2.428 63 I HA 0.175 4.476 4.170 -0.008 -0.136 0.296 63 I C -1.918 174.169 176.117 -0.051 0.000 0.985 63 I CA -1.080 60.199 61.300 -0.035 0.000 1.260 63 I CB 1.724 39.736 38.000 0.019 0.000 1.389 63 I HN -0.448 7.705 8.210 -0.095 0.000 0.484 64 Q N 5.685 125.447 119.800 -0.064 0.000 2.353 64 Q HA 0.484 4.888 4.340 -0.060 -0.099 0.268 64 Q C -1.808 174.133 176.000 -0.098 0.000 1.045 64 Q CA -1.432 54.321 55.803 -0.084 0.000 0.811 64 Q CB 4.135 32.797 28.738 -0.128 0.000 1.305 64 Q HN 0.606 8.845 8.270 -0.051 0.000 0.447 65 V N 6.695 126.573 119.914 -0.060 0.000 2.427 65 V HA 0.466 4.687 4.120 -0.083 -0.152 0.286 65 V C -1.238 174.857 176.094 0.002 0.000 1.034 65 V CA -0.671 61.602 62.300 -0.045 0.000 0.893 65 V CB 1.403 33.217 31.823 -0.014 0.000 0.982 65 V HN 1.025 9.087 8.190 -0.035 0.106 0.452 66 R N 5.695 126.189 120.500 -0.010 0.000 2.439 66 R HA 0.798 5.535 4.340 0.322 -0.204 0.310 66 R C -1.066 175.318 176.300 0.140 0.000 0.955 66 R CA -1.413 54.757 56.100 0.117 0.000 0.853 66 R CB 2.103 32.336 30.300 -0.111 0.000 1.171 66 R HN 0.673 8.911 8.270 -0.054 0.000 0.449 70 E N 0.060 120.377 120.200 0.194 0.000 2.266 70 E HA 0.208 4.668 4.350 0.184 0.000 0.277 70 E C -1.691 175.114 176.600 0.342 0.000 1.018 70 E CA 0.070 56.619 56.400 0.248 0.000 0.840 70 E CB 1.343 31.171 29.700 0.214 0.000 1.082 70 E HN -0.312 8.148 8.360 0.213 0.028 0.395 71 D N 2.166 122.734 120.400 0.279 0.000 3.163 71 D HA 0.015 4.817 4.640 0.269 0.000 0.228 71 D C -1.052 175.460 176.300 0.353 0.000 1.521 71 D CA 1.038 55.195 54.000 0.263 0.000 1.334 71 D CB 2.140 43.016 40.800 0.126 0.000 1.126 71 D HN 0.064 8.557 8.370 0.205 0.000 0.304 72 N N 0.380 119.198 118.700 0.197 0.000 2.426 72 N HA 0.468 5.512 4.740 0.212 -0.177 0.257 72 N C 2.175 177.703 175.510 0.030 0.000 1.002 72 N CA -1.606 51.529 53.050 0.143 0.000 0.942 72 N CB 1.187 39.728 38.487 0.090 0.000 1.112 72 N HN -0.794 7.837 8.380 0.145 -0.164 0.499 73 I N 0.550 121.047 120.570 -0.122 0.000 3.001 73 I HA -0.155 3.994 4.170 -0.279 -0.146 0.268 73 I C -0.164 175.868 176.117 -0.142 0.000 1.267 73 I CA 1.811 62.936 61.300 -0.292 0.000 1.472 73 I CB -0.585 37.029 38.000 -0.643 0.000 1.089 73 I HN 0.675 8.829 8.210 -0.094 0.000 0.468 74 N N -2.137 116.526 118.700 -0.061 0.000 2.236 74 N HA 0.129 4.847 4.740 -0.036 0.000 0.196 74 N C -0.970 174.546 175.510 0.011 0.000 1.114 74 N CA -0.062 52.975 53.050 -0.023 0.000 0.859 74 N CB 1.947 40.430 38.487 -0.007 0.000 0.982 74 N HN 0.063 8.778 8.380 -0.039 -0.359 0.493 75 V N 0.558 120.488 119.914 0.027 0.000 2.531 75 V HA 0.059 4.203 4.120 0.039 0.000 0.301 75 V C -1.401 174.732 176.094 0.065 0.000 1.034 75 V CA -0.917 61.409 62.300 0.043 0.000 0.865 75 V CB 2.907 34.754 31.823 0.040 0.000 0.995 75 V HN -0.803 7.428 8.190 0.021 -0.029 0.424 76 V N 7.942 127.897 119.914 0.069 0.000 2.389 76 V HA -0.124 4.255 4.120 0.102 -0.199 0.264 76 V C 0.267 176.378 176.094 0.028 0.000 1.049 76 V CA 0.220 62.562 62.300 0.070 0.000 0.932 76 V CB -0.114 31.748 31.823 0.064 0.000 1.011 76 V HN 0.307 8.532 8.190 0.058 0.000 0.475 77 E N 8.372 128.586 120.200 0.023 0.000 2.423 77 E HA 0.118 4.475 4.350 0.011 0.000 0.198 77 E C 0.650 177.245 176.600 -0.009 0.000 1.038 77 E CA -0.681 55.726 56.400 0.012 0.000 1.011 77 E CB -0.198 29.517 29.700 0.026 0.000 1.118 77 E HN 0.298 9.066 8.360 0.035 -0.387 0.451 78 G N 0.077 108.856 108.800 -0.034 0.000 2.417 78 G HA2 -0.392 3.526 3.960 -0.069 0.000 0.233 78 G HA3 -0.392 3.546 3.960 -0.036 0.000 0.233 78 G C -0.315 174.545 174.900 -0.068 0.000 1.103 78 G CA 0.947 46.015 45.100 -0.054 0.000 0.647 78 G HN 0.132 8.344 8.290 -0.040 0.054 0.512 79 N N 1.665 120.337 118.700 -0.047 0.000 2.466 79 N HA 0.057 4.766 4.740 -0.052 0.000 0.251 79 N C -1.889 173.583 175.510 -0.062 0.000 1.164 79 N CA -0.282 52.741 53.050 -0.044 0.000 0.888 79 N CB 0.522 39.002 38.487 -0.012 0.000 1.177 79 N HN 0.015 8.317 8.380 -0.026 0.063 0.498 80 E N -0.802 119.312 120.200 -0.143 0.000 2.232 80 E HA 0.512 5.023 4.350 -0.054 -0.192 0.264 80 E C -0.508 175.912 176.600 -0.301 0.000 0.973 80 E CA -1.268 55.013 56.400 -0.199 0.000 0.849 80 E CB 2.129 31.616 29.700 -0.356 0.000 1.198 80 E HN -0.528 7.645 8.360 -0.180 0.079 0.407 81 Q N -0.096 119.590 119.800 -0.189 0.000 2.274 81 Q HA 0.331 4.535 4.340 -0.225 0.000 0.268 81 Q C -1.477 174.586 176.000 0.105 0.000 1.015 81 Q CA -1.035 54.695 55.803 -0.121 0.000 0.775 81 Q CB 3.308 32.034 28.738 -0.019 0.000 1.256 81 Q HN 0.168 8.423 8.270 -0.025 0.000 0.442 82 F N 3.715 123.650 119.950 -0.026 0.000 2.403 82 F HA 0.891 5.600 4.527 -0.039 -0.206 0.355 82 F C 0.042 175.820 175.800 -0.036 0.000 1.119 82 F CA -1.734 56.245 58.000 -0.035 0.000 1.007 82 F CB 1.715 40.692 39.000 -0.038 0.000 1.194 82 F HN 0.301 8.576 8.300 -0.041 0.000 0.443 83 I N 4.159 124.808 120.570 0.133 0.000 2.569 83 I HA 0.335 4.532 4.170 0.046 0.000 0.296 83 I C -0.934 175.188 176.117 0.008 0.000 1.028 83 I CA -1.461 59.867 61.300 0.047 0.000 1.082 83 I CB 4.033 42.042 38.000 0.016 0.000 1.264 83 I HN 0.854 9.141 8.210 0.128 0.000 0.429 84 S N 5.704 121.398 115.700 -0.011 0.000 2.601 84 S HA 0.189 4.638 4.470 -0.036 0.000 0.271 84 S C -0.683 173.885 174.600 -0.053 0.000 1.305 84 S CA -0.025 58.155 58.200 -0.033 0.000 1.022 84 S CB 1.029 64.210 63.200 -0.032 0.000 0.940 84 S HN 0.465 8.772 8.310 -0.006 0.000 0.525 85 A N 2.932 125.716 122.820 -0.059 0.000 2.354 85 A HA 0.345 4.741 4.320 -0.104 -0.138 0.269 85 A C -0.422 177.115 177.584 -0.078 0.000 1.109 85 A CA -0.705 51.286 52.037 -0.078 0.000 0.800 85 A CB 0.819 19.785 19.000 -0.055 0.000 1.045 85 A HN -0.259 7.859 8.150 -0.052 0.000 0.489 86 S N 2.660 118.294 115.700 -0.111 0.000 2.475 86 S HA 0.088 4.519 4.470 -0.065 0.000 0.224 86 S C 0.365 174.926 174.600 -0.065 0.000 1.042 86 S CA 1.167 59.313 58.200 -0.091 0.000 0.935 86 S CB 1.101 64.229 63.200 -0.120 0.000 0.801 86 S HN 0.696 8.795 8.310 -0.160 0.114 0.509 87 K N -0.319 120.033 120.400 -0.080 0.000 2.579 87 K HA 0.277 4.613 4.320 0.026 0.000 0.284 87 K C -2.484 174.141 176.600 0.041 0.000 0.990 87 K CA -0.392 55.893 56.287 -0.004 0.000 0.880 87 K CB 2.804 35.311 32.500 0.012 0.000 1.488 87 K HN -0.761 7.406 8.250 -0.138 0.000 0.425 88 S N 0.418 116.197 115.700 0.132 0.000 2.536 88 S HA 0.911 5.681 4.470 0.192 -0.185 0.287 88 S C -0.793 173.936 174.600 0.215 0.000 1.101 88 S CA -0.649 57.675 58.200 0.206 0.000 0.950 88 S CB 2.870 66.256 63.200 0.310 0.000 1.056 88 S HN 0.139 8.533 8.310 0.140 0.000 0.481 89 I N 6.762 127.474 120.570 0.238 0.000 2.468 89 I HA 0.208 4.480 4.170 0.170 0.000 0.284 89 I C -1.585 174.690 176.117 0.264 0.000 1.038 89 I CA -0.461 60.977 61.300 0.230 0.000 1.083 89 I CB 2.566 40.715 38.000 0.247 0.000 1.223 89 I HN 0.941 9.309 8.210 0.263 0.000 0.443 90 V N 7.101 127.104 119.914 0.148 0.000 2.785 90 V HA -0.105 4.073 4.120 0.097 0.000 0.300 90 V C -0.318 175.853 176.094 0.128 0.000 1.062 90 V CA -0.931 61.419 62.300 0.083 0.000 1.029 90 V CB 1.101 32.884 31.823 -0.067 0.000 1.024 90 V HN 0.247 8.482 8.190 0.076 0.000 0.477 91 H N 7.353 126.366 119.070 -0.096 0.000 3.001 91 H HA -0.034 4.146 4.556 -0.627 0.000 0.334 91 H C 0.684 175.923 175.328 -0.147 0.000 1.034 91 H CA 0.389 56.197 56.048 -0.400 0.000 1.420 91 H CB 1.350 30.753 29.762 -0.597 0.000 1.405 91 H HN -0.266 8.026 8.280 0.021 0.000 0.593 92 P HA -0.148 4.215 4.420 -0.096 0.000 0.217 92 P C -0.284 176.980 177.300 -0.061 0.000 1.148 92 P CA 1.783 64.739 63.100 -0.241 0.000 0.828 92 P CB 0.281 31.820 31.700 -0.268 0.000 0.783 93 S N -2.573 113.187 115.700 0.099 0.000 2.583 93 S HA 0.047 4.563 4.470 0.075 0.000 0.239 93 S C -1.082 173.641 174.600 0.205 0.000 0.966 93 S CA -0.082 58.229 58.200 0.185 0.000 0.973 93 S CB 0.662 63.988 63.200 0.210 0.000 0.794 93 S HN -0.410 7.931 8.310 0.100 0.029 0.463 94 Y N 3.989 124.344 120.300 0.091 0.000 2.526 94 Y HA -0.285 4.545 4.550 -0.000 -0.280 0.330 94 Y C -0.837 175.063 175.900 -0.000 0.000 1.156 94 Y CA 0.795 58.908 58.100 0.022 0.000 1.419 94 Y CB 0.847 39.313 38.460 0.010 0.000 1.250 94 Y HN -0.695 7.694 8.280 0.294 0.067 0.540 95 N N 7.772 126.112 118.700 -0.601 0.000 2.518 95 N HA 0.238 4.704 4.740 -0.457 0.000 0.254 95 N C -0.208 174.791 175.510 -0.851 0.000 0.979 95 N CA -1.152 51.565 53.050 -0.555 0.000 0.930 95 N CB 1.350 39.678 38.487 -0.265 0.000 1.152 95 N HN -0.118 8.037 8.380 -0.375 0.000 0.505 96 S N 6.585 121.756 115.700 -0.882 0.000 2.507 96 S HA -0.136 3.976 4.470 -0.597 0.000 0.235 96 S C 0.917 175.348 174.600 -0.282 0.000 0.988 96 S CA 2.493 60.364 58.200 -0.547 0.000 0.944 96 S CB -0.200 62.861 63.200 -0.232 0.000 0.762 96 S HN 0.735 8.618 8.310 -0.712 0.000 0.526 97 N N 1.284 119.820 118.700 -0.273 0.000 2.251 97 N HA -0.056 4.573 4.740 -0.186 0.000 0.181 97 N C 1.152 176.510 175.510 -0.252 0.000 1.019 97 N CA 2.324 55.246 53.050 -0.212 0.000 0.862 97 N CB 0.670 39.056 38.487 -0.167 0.000 0.992 97 N HN 0.101 8.498 8.380 -0.307 -0.201 0.429 98 T N -3.774 110.625 114.554 -0.257 0.000 3.022 98 T HA 0.066 4.213 4.350 -0.338 0.000 0.250 98 T C 0.146 174.658 174.700 -0.314 0.000 1.060 98 T CA 0.067 62.000 62.100 -0.279 0.000 1.013 98 T CB 1.332 70.093 68.868 -0.178 0.000 0.982 98 T HN -0.344 8.042 8.240 -0.252 -0.297 0.508 99 L N -3.825 117.261 121.223 -0.228 0.000 4.089 99 L HA -0.498 3.981 4.340 0.124 -0.065 0.408 99 L C -1.842 175.089 176.870 0.102 0.000 1.184 99 L CA 0.519 55.345 54.840 -0.022 0.000 0.947 99 L CB -2.779 39.216 42.059 -0.107 0.000 2.066 99 L HN -0.097 7.928 8.230 -0.263 0.047 0.851 100 N N -0.752 117.959 118.700 0.018 0.000 2.520 100 N HA -0.111 4.700 4.740 0.120 0.000 0.273 100 N C -0.183 175.395 175.510 0.112 0.000 1.155 100 N CA 0.378 53.470 53.050 0.070 0.000 0.967 100 N CB 1.228 39.725 38.487 0.016 0.000 1.092 100 N HN -0.776 7.509 8.380 -0.085 0.044 0.457 101 N N -0.378 118.384 118.700 0.104 0.000 2.746 101 N HA -0.464 4.233 4.740 -0.070 0.000 0.250 101 N C -1.447 174.054 175.510 -0.016 0.000 1.055 101 N CA 1.362 54.382 53.050 -0.050 0.000 0.699 101 N CB -1.460 36.930 38.487 -0.162 0.000 0.919 101 N HN 0.623 9.084 8.380 0.134 0.000 0.548 102 D N -0.805 119.614 120.400 0.032 0.000 2.619 102 D HA 0.112 4.701 4.640 -0.085 0.000 0.224 102 D C -2.079 174.112 176.300 -0.181 0.000 1.133 102 D CA -0.604 53.394 54.000 -0.004 0.000 1.017 102 D CB -0.629 40.287 40.800 0.193 0.000 1.077 102 D HN -0.025 8.380 8.370 0.058 0.000 0.503 103 I N 1.878 122.275 120.570 -0.287 0.000 2.827 103 I HA 0.720 4.971 4.170 -0.147 -0.170 0.298 103 I C -3.090 172.978 176.117 -0.082 0.000 1.235 103 I CA -1.539 59.627 61.300 -0.222 0.000 1.021 103 I CB 4.034 41.783 38.000 -0.419 0.000 1.259 103 I HN -0.397 7.590 8.210 -0.302 0.041 0.427 104 M N 5.846 125.482 119.600 0.059 0.000 2.520 104 M HA 0.718 5.526 4.480 0.297 -0.149 0.283 104 M C -2.825 173.616 176.300 0.235 0.000 1.237 104 M CA -0.982 54.427 55.300 0.182 0.000 0.885 104 M CB 4.943 37.593 32.600 0.083 0.000 1.727 104 M HN 0.431 8.749 8.290 0.046 0.000 0.468 105 L N 2.266 123.662 121.223 0.289 0.000 2.346 105 L HA 0.873 5.552 4.340 0.262 -0.182 0.276 105 L C -1.425 175.643 176.870 0.330 0.000 1.006 105 L CA -1.409 53.607 54.840 0.295 0.000 0.817 105 L CB 3.477 45.657 42.059 0.201 0.000 1.272 105 L HN 0.547 8.973 8.230 0.327 0.000 0.421 106 I N 1.206 121.955 120.570 0.298 0.000 2.466 106 I HA 0.528 4.929 4.170 0.110 -0.164 0.289 106 I C -1.679 174.381 176.117 -0.095 0.000 1.026 106 I CA -1.280 60.091 61.300 0.118 0.000 1.078 106 I CB 3.184 41.227 38.000 0.072 0.000 1.249 106 I HN 0.947 9.354 8.210 0.329 0.000 0.429 107 K N 6.475 126.629 120.400 -0.411 0.000 2.138 107 K HA 0.696 4.422 4.320 -1.272 -0.169 0.263 107 K C -1.058 175.263 176.600 -0.465 0.000 0.965 107 K CA -2.046 53.672 56.287 -0.948 0.000 0.868 107 K CB 3.296 35.037 32.500 -1.265 0.000 1.083 107 K HN 0.654 8.755 8.250 -0.248 0.000 0.443 108 L N 4.295 125.261 121.223 -0.428 0.000 2.350 108 L HA 0.194 4.538 4.340 -0.167 -0.104 0.275 108 L C 1.571 178.321 176.870 -0.200 0.000 1.099 108 L CA -0.091 54.615 54.840 -0.224 0.000 0.808 108 L CB 0.407 42.374 42.059 -0.153 0.000 1.149 108 L HN 0.554 8.441 8.230 -0.572 0.000 0.442 109 K N 2.566 122.889 120.400 -0.129 0.000 2.148 109 K HA -0.247 4.006 4.320 -0.113 0.000 0.204 109 K C 0.079 176.630 176.600 -0.081 0.000 1.050 109 K CA 2.498 58.726 56.287 -0.098 0.000 0.942 109 K CB 0.432 32.893 32.500 -0.064 0.000 0.724 109 K HN 0.576 8.763 8.250 -0.105 0.000 0.446 110 S N -3.707 111.950 115.700 -0.071 0.000 2.599 110 S HA 0.124 4.564 4.470 -0.049 0.000 0.287 110 S C -1.776 172.793 174.600 -0.052 0.000 1.105 110 S CA -1.314 56.855 58.200 -0.050 0.000 0.899 110 S CB 2.195 65.376 63.200 -0.031 0.000 1.100 110 S HN -0.521 7.726 8.310 -0.072 0.020 0.482 111 A N 1.328 124.126 122.820 -0.037 0.000 2.388 111 A HA 0.045 4.469 4.320 -0.037 -0.126 0.257 111 A C -0.691 176.886 177.584 -0.011 0.000 1.095 111 A CA -0.139 51.884 52.037 -0.024 0.000 0.791 111 A CB 0.903 19.898 19.000 -0.009 0.000 1.029 111 A HN 0.226 8.358 8.150 -0.030 0.000 0.489 112 A N 2.751 125.570 122.820 -0.000 0.000 2.371 112 A HA 0.202 4.625 4.320 0.004 -0.100 0.257 112 A C -0.390 177.201 177.584 0.013 0.000 1.089 112 A CA -1.046 50.997 52.037 0.010 0.000 0.794 112 A CB 1.063 20.078 19.000 0.026 0.000 1.029 112 A HN 0.218 8.262 8.150 0.000 0.106 0.488 113 S N 1.825 117.530 115.700 0.008 0.000 2.411 113 S HA 0.089 4.565 4.470 0.010 0.000 0.294 113 S C -0.916 173.694 174.600 0.016 0.000 1.115 113 S CA -0.614 57.591 58.200 0.008 0.000 1.071 113 S CB -0.003 63.196 63.200 -0.002 0.000 0.967 113 S HN 0.144 8.828 8.310 0.004 -0.371 0.488 114 L N 7.270 128.506 121.223 0.023 0.000 2.367 114 L HA -0.011 4.469 4.340 0.035 -0.119 0.275 114 L C -0.321 176.564 176.870 0.025 0.000 1.129 114 L CA 0.044 54.902 54.840 0.031 0.000 0.839 114 L CB -0.091 41.992 42.059 0.039 0.000 1.133 114 L HN 0.278 8.521 8.230 0.022 0.000 0.453 115 N N 4.493 123.208 118.700 0.025 0.000 3.387 115 N HA 0.228 4.979 4.740 0.019 0.000 0.322 115 N C 0.093 175.618 175.510 0.024 0.000 1.588 115 N CA -0.762 52.300 53.050 0.020 0.000 0.778 115 N CB 1.181 39.674 38.487 0.011 0.000 1.883 115 N HN 0.297 8.593 8.380 0.030 0.102 0.628 116 S N -0.885 114.826 115.700 0.019 0.000 2.400 116 S HA -0.327 4.159 4.470 0.026 0.000 0.232 116 S C 0.584 175.195 174.600 0.019 0.000 1.025 116 S CA 3.331 61.543 58.200 0.020 0.000 0.993 116 S CB -0.423 62.786 63.200 0.015 0.000 0.808 116 S HN 0.374 8.693 8.310 0.015 0.000 0.478 117 R N -2.706 117.803 120.500 0.015 0.000 2.290 117 R HA 0.047 4.389 4.340 0.004 0.000 0.197 117 R C -1.210 175.101 176.300 0.017 0.000 0.913 117 R CA 0.389 56.495 56.100 0.011 0.000 1.040 117 R CB 1.269 31.575 30.300 0.011 0.000 0.992 117 R HN -0.121 8.442 8.270 0.014 -0.284 0.500 118 V N -0.811 119.120 119.914 0.029 0.000 2.419 118 V HA 0.318 4.662 4.120 0.046 -0.196 0.287 118 V C -2.055 174.074 176.094 0.058 0.000 1.017 118 V CA -1.111 61.215 62.300 0.044 0.000 0.844 118 V CB 2.054 33.901 31.823 0.040 0.000 1.011 118 V HN -0.618 7.627 8.190 0.027 -0.039 0.429 119 A N 7.215 130.086 122.820 0.084 0.000 2.527 119 A HA 0.629 4.998 4.320 0.082 0.000 0.293 119 A C -2.650 175.024 177.584 0.149 0.000 1.117 119 A CA -1.858 50.242 52.037 0.105 0.000 0.723 119 A CB 3.033 22.100 19.000 0.111 0.000 1.313 119 A HN 0.342 8.424 8.150 0.089 0.122 0.411 120 S N -0.941 114.835 115.700 0.125 0.000 2.722 120 S HA 0.657 5.347 4.470 0.160 -0.124 0.292 120 S C -0.858 173.802 174.600 0.098 0.000 1.135 120 S CA -1.432 56.843 58.200 0.125 0.000 1.003 120 S CB 1.918 65.171 63.200 0.088 0.000 1.067 120 S HN -0.010 8.358 8.310 0.098 0.000 0.546 121 I N 0.591 121.180 120.570 0.032 0.000 2.693 121 I HA 0.330 4.440 4.170 -0.100 0.000 0.303 121 I C -1.881 174.194 176.117 -0.071 0.000 1.025 121 I CA -1.971 59.259 61.300 -0.117 0.000 1.086 121 I CB 3.794 41.539 38.000 -0.425 0.000 1.268 121 I HN -0.018 8.223 8.210 0.052 0.000 0.440 122 S N 6.065 121.717 115.700 -0.080 0.000 2.584 122 S HA 0.243 4.698 4.470 -0.025 0.000 0.273 122 S C -0.864 173.708 174.600 -0.046 0.000 1.311 122 S CA -0.482 57.691 58.200 -0.046 0.000 1.034 122 S CB 0.738 63.915 63.200 -0.038 0.000 0.939 122 S HN 0.265 8.511 8.310 -0.106 0.000 0.513 123 L N 2.465 123.675 121.223 -0.022 0.000 2.375 123 L HA 0.202 4.539 4.340 -0.005 0.000 0.271 123 L C -1.020 175.844 176.870 -0.010 0.000 1.107 123 L CA -2.328 52.508 54.840 -0.007 0.000 0.806 123 L CB 0.341 42.404 42.059 0.007 0.000 1.146 123 L HN 0.234 8.454 8.230 -0.017 0.000 0.447 124 P HA 0.082 4.488 4.420 -0.023 0.000 0.274 124 P C -1.083 176.213 177.300 -0.007 0.000 1.231 124 P CA -0.334 62.759 63.100 -0.012 0.000 0.790 124 P CB 0.406 32.097 31.700 -0.014 0.000 0.951 128 c N 0.547 119.117 118.600 -0.050 0.000 2.520 128 c HA 0.074 4.596 4.570 -0.080 0.000 0.376 128 c C 0.101 174.128 174.090 -0.106 0.000 1.268 128 c CA -0.444 55.838 56.329 -0.079 0.000 2.414 128 c CB 0.483 42.950 42.510 -0.071 0.000 2.521 128 c HN -0.031 8.173 8.230 -0.043 0.000 0.618 129 A N 1.995 124.716 122.820 -0.165 0.000 2.304 129 A HA 0.102 4.348 4.320 -0.124 0.000 0.301 129 A C -0.885 176.596 177.584 -0.172 0.000 1.132 129 A CA -0.217 51.717 52.037 -0.172 0.000 0.819 129 A CB 0.983 19.848 19.000 -0.226 0.000 1.094 129 A HN 0.214 8.238 8.150 -0.212 0.000 0.492 133 G N 0.542 109.305 108.800 -0.061 0.000 2.279 133 G HA2 -0.236 3.693 3.960 -0.051 0.000 0.223 133 G HA3 -0.236 3.698 3.960 -0.044 0.000 0.223 133 G C 0.278 175.142 174.900 -0.060 0.000 1.015 133 G CA -0.109 44.959 45.100 -0.053 0.000 0.621 133 G HN 0.555 8.691 8.290 -0.065 0.115 0.506 134 T N 4.366 118.875 114.554 -0.076 0.000 2.940 134 T HA -0.151 4.165 4.350 -0.057 0.000 0.309 134 T C -0.701 173.955 174.700 -0.073 0.000 1.056 134 T CA 2.234 64.289 62.100 -0.075 0.000 1.137 134 T CB 0.423 69.231 68.868 -0.099 0.000 0.976 134 T HN -0.481 7.623 8.240 -0.086 0.084 0.547 135 Q N 4.243 124.013 119.800 -0.050 0.000 2.243 135 Q HA 0.104 4.546 4.340 -0.045 -0.129 0.252 135 Q C -0.855 175.124 176.000 -0.034 0.000 0.909 135 Q CA 0.077 55.860 55.803 -0.034 0.000 0.922 135 Q CB 1.275 30.012 28.738 -0.002 0.000 1.215 135 Q HN 0.236 8.481 8.270 -0.041 0.000 0.427 136 c N 1.413 119.994 118.600 -0.033 0.000 2.848 136 c HA 0.621 5.294 4.570 -0.027 -0.119 0.317 136 c C -1.732 172.360 174.090 0.003 0.000 1.260 136 c CA -1.210 55.101 56.329 -0.030 0.000 1.656 136 c CB 4.165 46.636 42.510 -0.064 0.000 2.174 136 c HN 0.749 8.847 8.230 -0.033 0.112 0.479 137 L N 0.859 122.091 121.223 0.015 0.000 2.333 137 L HA 0.758 5.288 4.340 0.051 -0.160 0.280 137 L C -2.366 174.517 176.870 0.021 0.000 1.004 137 L CA -1.336 53.529 54.840 0.042 0.000 0.820 137 L CB 3.341 45.448 42.059 0.080 0.000 1.247 137 L HN 0.876 8.998 8.230 0.006 0.112 0.416 138 I N 7.752 128.321 120.570 -0.002 0.000 2.433 138 I HA 0.810 5.208 4.170 0.010 -0.223 0.292 138 I C -1.260 174.832 176.117 -0.041 0.000 1.001 138 I CA -1.350 59.946 61.300 -0.007 0.000 1.119 138 I CB 2.075 40.070 38.000 -0.009 0.000 1.289 138 I HN 0.796 9.007 8.210 0.002 0.000 0.438 139 S N 3.459 119.132 115.700 -0.046 0.000 2.667 139 S HA 1.124 5.656 4.470 -0.207 -0.186 0.292 139 S C -0.849 173.649 174.600 -0.170 0.000 1.126 139 S CA -2.123 55.979 58.200 -0.165 0.000 0.881 139 S CB 3.880 66.947 63.200 -0.221 0.000 1.132 139 S HN -0.173 8.142 8.310 0.008 0.000 0.492 140 G N -2.074 106.521 108.800 -0.341 0.000 2.356 140 G HA2 0.010 3.731 3.960 -0.399 0.000 0.300 140 G HA3 0.010 4.076 3.960 -0.042 -0.132 0.300 140 G C -2.409 172.271 174.900 -0.366 0.000 1.331 140 G CA 0.336 45.260 45.100 -0.292 0.000 0.905 140 G HN -0.082 7.934 8.290 -0.455 0.000 0.587 141 W N 1.082 122.369 121.300 -0.021 0.000 2.937 141 W HA 0.410 5.034 4.660 -0.060 0.000 0.435 141 W C -0.125 176.431 176.519 0.060 0.000 0.912 141 W CA -1.069 56.237 57.345 -0.064 0.000 2.209 141 W CB -0.407 28.881 29.460 -0.285 0.000 1.144 141 W HN 0.374 8.812 8.180 0.430 0.000 0.762 142 G N 0.611 109.549 108.800 0.230 0.000 2.563 142 G HA2 0.007 4.211 3.960 0.407 0.000 0.283 142 G HA3 0.007 4.403 3.960 0.165 -0.337 0.283 142 G C -1.013 173.819 174.900 -0.114 0.000 1.309 142 G CA -0.862 44.351 45.100 0.190 0.000 1.022 142 G HN -0.470 8.078 8.290 0.138 -0.175 0.501 143 N N -0.681 117.774 118.700 -0.407 0.000 2.353 143 N HA -0.250 4.064 4.740 -1.061 -0.211 0.248 143 N C 0.738 176.089 175.510 -0.265 0.000 1.240 143 N CA 1.141 53.795 53.050 -0.660 0.000 0.862 143 N CB 0.702 38.883 38.487 -0.511 0.000 1.086 143 N HN 0.013 8.264 8.380 -0.216 0.000 0.453 144 T N -0.614 113.810 114.554 -0.218 0.000 3.084 144 T HA 0.205 4.636 4.350 -0.082 -0.130 0.270 144 T C -0.226 174.431 174.700 -0.073 0.000 1.008 144 T CA 0.024 62.062 62.100 -0.105 0.000 0.900 144 T CB 1.353 70.176 68.868 -0.075 0.000 1.084 144 T HN 0.109 8.188 8.240 -0.269 0.000 0.538 145 K N 1.593 121.943 120.400 -0.084 0.000 2.316 145 K HA 0.366 4.668 4.320 -0.031 0.000 0.251 145 K C -0.277 176.304 176.600 -0.031 0.000 0.934 145 K CA -2.117 54.143 56.287 -0.045 0.000 0.802 145 K CB 2.565 35.041 32.500 -0.039 0.000 1.171 145 K HN -0.814 7.530 8.250 -0.130 -0.171 0.426 146 S N 1.816 117.509 115.700 -0.012 0.000 2.336 146 S HA -0.165 4.308 4.470 0.005 0.000 0.216 146 S C 0.399 175.003 174.600 0.007 0.000 1.032 146 S CA 2.166 60.367 58.200 0.003 0.000 0.973 146 S CB 0.338 63.545 63.200 0.010 0.000 0.888 146 S HN 0.303 8.607 8.310 -0.009 0.000 0.455 147 S N 1.539 117.243 115.700 0.006 0.000 2.921 147 S HA 0.098 4.577 4.470 0.015 0.000 0.244 147 S C -1.013 173.591 174.600 0.007 0.000 1.291 147 S CA -0.001 58.206 58.200 0.010 0.000 1.010 147 S CB -0.963 62.244 63.200 0.011 0.000 1.255 147 S HN -0.307 8.005 8.310 0.003 0.000 0.492 148 G N 2.357 111.162 108.800 0.007 0.000 2.350 148 G HA2 -0.136 3.834 3.960 0.017 0.000 0.304 148 G HA3 -0.136 3.826 3.960 0.004 0.000 0.304 148 G C -2.735 172.166 174.900 0.001 0.000 1.421 148 G CA -0.069 45.036 45.100 0.008 0.000 0.934 148 G HN -0.715 7.580 8.290 0.009 0.000 0.632 149 T N 0.558 115.121 114.554 0.016 0.000 2.815 149 T HA 0.215 4.722 4.350 -0.040 -0.181 0.289 149 T C -1.383 173.327 174.700 0.016 0.000 1.000 149 T CA -0.496 61.618 62.100 0.023 0.000 0.958 149 T CB 1.887 70.823 68.868 0.114 0.000 0.944 149 T HN -0.049 8.207 8.240 0.026 0.000 0.442 150 S N 6.197 121.848 115.700 -0.081 0.000 2.776 150 S HA 0.235 4.737 4.470 0.053 0.000 0.284 150 S C -2.184 172.334 174.600 -0.136 0.000 1.160 150 S CA -0.445 57.737 58.200 -0.031 0.000 1.051 150 S CB 1.356 64.535 63.200 -0.036 0.000 1.037 150 S HN 0.735 9.321 8.310 -0.222 -0.409 0.485 151 Y N 5.930 126.259 120.300 0.048 0.000 2.342 151 Y HA 0.230 4.825 4.550 0.074 0.000 0.338 151 Y C -1.194 174.743 175.900 0.062 0.000 0.965 151 Y CA -2.778 55.360 58.100 0.063 0.000 1.159 151 Y CB 1.294 39.794 38.460 0.066 0.000 1.157 151 Y HN 0.135 8.561 8.280 0.244 0.000 0.486 152 P HA 0.267 4.751 4.420 0.107 0.000 0.278 152 P C -1.843 175.574 177.300 0.194 0.000 1.258 152 P CA -1.090 62.091 63.100 0.134 0.000 0.811 152 P CB 2.479 34.227 31.700 0.080 0.000 1.063 153 D N -2.752 117.748 120.400 0.165 0.000 2.423 153 D HA 0.028 4.748 4.640 0.132 0.000 0.208 153 D C -0.999 175.475 176.300 0.290 0.000 1.068 153 D CA 0.858 54.956 54.000 0.164 0.000 0.860 153 D CB 1.100 41.952 40.800 0.087 0.000 0.992 153 D HN 0.345 8.792 8.370 0.128 0.000 0.504 154 V N -6.298 113.768 119.914 0.254 0.000 2.850 154 V HA 0.733 5.341 4.120 0.365 -0.270 0.315 154 V C -0.692 175.424 176.094 0.036 0.000 1.064 154 V CA -3.041 59.395 62.300 0.226 0.000 0.979 154 V CB 2.489 34.369 31.823 0.095 0.000 1.039 154 V HN -0.940 7.353 8.190 0.173 0.000 0.452 155 L N 1.902 123.012 121.223 -0.188 0.000 2.525 155 L HA -0.152 3.478 4.340 -1.184 0.000 0.278 155 L C -0.218 176.413 176.870 -0.399 0.000 1.218 155 L CA 0.969 55.424 54.840 -0.642 0.000 0.878 155 L CB 0.182 41.880 42.059 -0.602 0.000 1.127 155 L HN -0.074 8.304 8.230 0.003 -0.146 0.492 156 K N 3.138 123.276 120.400 -0.437 0.000 2.318 156 K HA 0.770 5.085 4.320 -0.330 -0.193 0.249 156 K C -1.447 174.906 176.600 -0.411 0.000 0.942 156 K CA -2.512 53.570 56.287 -0.342 0.000 0.808 156 K CB 3.208 35.575 32.500 -0.222 0.000 1.189 156 K HN 0.075 7.990 8.250 -0.558 0.000 0.428 157 c N 0.168 118.422 118.600 -0.578 0.000 2.614 157 c HA 0.919 5.432 4.570 -0.388 -0.175 0.320 157 c C -1.732 172.050 174.090 -0.514 0.000 1.200 157 c CA -0.922 55.022 56.329 -0.641 0.000 1.700 157 c CB 3.550 45.453 42.510 -1.011 0.000 2.275 157 c HN 0.854 8.566 8.230 -0.680 0.110 0.492 158 L N 1.168 122.272 121.223 -0.198 0.000 2.516 158 L HA 0.442 4.842 4.340 0.100 0.000 0.267 158 L C -2.562 174.378 176.870 0.116 0.000 0.957 158 L CA 0.269 55.125 54.840 0.027 0.000 0.860 158 L CB 4.204 46.288 42.059 0.043 0.000 1.265 158 L HN 0.594 8.728 8.230 -0.161 0.000 0.403 159 K N 7.027 127.556 120.400 0.215 0.000 2.234 159 K HA 0.815 5.429 4.320 0.124 -0.219 0.277 159 K C -0.953 175.774 176.600 0.212 0.000 1.038 159 K CA -0.559 55.836 56.287 0.180 0.000 0.888 159 K CB 0.944 33.555 32.500 0.185 0.000 1.091 159 K HN 0.302 8.718 8.250 0.276 0.000 0.467 160 A N 5.006 127.888 122.820 0.103 0.000 2.549 160 A HA 0.500 4.820 4.320 0.000 0.000 0.297 160 A C -3.322 174.193 177.584 -0.116 0.000 1.061 160 A CA -2.916 49.111 52.037 -0.018 0.000 0.690 160 A CB 2.967 21.956 19.000 -0.018 0.000 1.287 160 A HN 0.718 8.900 8.150 0.053 0.000 0.402 161 P HA 0.698 5.262 4.420 -0.101 -0.205 0.281 161 P C -1.129 176.099 177.300 -0.120 0.000 1.264 161 P CA -1.379 61.632 63.100 -0.148 0.000 0.824 161 P CB 1.597 33.210 31.700 -0.146 0.000 1.092 162 I N -0.851 119.669 120.570 -0.084 0.000 2.474 162 I HA -0.010 4.309 4.170 0.060 -0.112 0.287 162 I C 0.264 176.368 176.117 -0.022 0.000 1.048 162 I CA 0.268 61.551 61.300 -0.029 0.000 1.383 162 I CB 0.522 38.443 38.000 -0.132 0.000 1.412 162 I HN 0.124 8.277 8.210 -0.095 0.000 0.531 163 L N 5.708 126.952 121.223 0.034 0.000 2.416 163 L HA 0.438 4.768 4.340 -0.018 0.000 0.262 163 L C -0.688 176.201 176.870 0.031 0.000 1.093 163 L CA -1.031 53.819 54.840 0.016 0.000 0.801 163 L CB 0.634 42.710 42.059 0.028 0.000 1.191 163 L HN 0.341 8.637 8.230 0.109 0.000 0.459 164 S N 0.128 115.838 115.700 0.016 0.000 2.579 164 S HA -0.056 4.421 4.470 0.012 0.000 0.275 164 S C 0.569 175.194 174.600 0.041 0.000 1.345 164 S CA -0.643 57.568 58.200 0.019 0.000 1.031 164 S CB 1.118 64.324 63.200 0.010 0.000 0.892 164 S HN 0.172 8.486 8.310 0.006 0.000 0.529 165 D N 2.925 123.352 120.400 0.045 0.000 2.178 165 D HA -0.283 4.407 4.640 0.083 0.000 0.201 165 D C 2.039 178.370 176.300 0.053 0.000 0.980 165 D CA 4.124 58.161 54.000 0.061 0.000 0.842 165 D CB -0.279 40.555 40.800 0.056 0.000 0.948 165 D HN 0.583 8.973 8.370 0.033 0.000 0.472 166 S N -0.157 115.565 115.700 0.036 0.000 2.359 166 S HA -0.341 4.149 4.470 0.033 0.000 0.224 166 S C 1.851 176.467 174.600 0.028 0.000 1.035 166 S CA 3.474 61.692 58.200 0.030 0.000 1.018 166 S CB -0.145 63.066 63.200 0.019 0.000 0.876 166 S HN 0.101 8.416 8.310 0.030 0.013 0.448 167 S N 1.410 117.124 115.700 0.024 0.000 2.453 167 S HA -0.194 4.278 4.470 0.003 0.000 0.231 167 S C 1.956 176.568 174.600 0.020 0.000 1.005 167 S CA 2.848 61.056 58.200 0.013 0.000 0.949 167 S CB -0.161 63.044 63.200 0.008 0.000 0.774 167 S HN -0.497 7.828 8.310 0.024 0.000 0.510 168 c N 3.617 122.249 118.600 0.053 0.000 2.476 168 c HA -0.200 4.426 4.570 0.094 0.000 0.278 168 c C 1.718 175.884 174.090 0.126 0.000 1.274 168 c CA 2.508 58.894 56.329 0.096 0.000 1.713 168 c CB -1.621 40.954 42.510 0.109 0.000 2.039 168 c HN -0.376 7.759 8.230 0.055 0.128 0.484 169 K N -0.873 119.587 120.400 0.101 0.000 2.217 169 K HA -0.285 4.133 4.320 0.163 0.000 0.202 169 K C 1.998 178.641 176.600 0.071 0.000 1.051 169 K CA 2.954 59.307 56.287 0.110 0.000 0.952 169 K CB -0.048 32.503 32.500 0.084 0.000 0.736 169 K HN 0.253 8.552 8.250 0.082 0.000 0.453 170 S N -1.024 114.693 115.700 0.029 0.000 2.428 170 S HA -0.208 4.270 4.470 0.012 0.000 0.230 170 S C 0.885 175.451 174.600 -0.055 0.000 1.014 170 S CA 2.872 61.070 58.200 -0.003 0.000 0.957 170 S CB -0.105 63.089 63.200 -0.011 0.000 0.784 170 S HN -0.391 7.935 8.310 0.027 0.000 0.499 171 A N -0.704 122.041 122.820 -0.124 0.000 1.970 171 A HA -0.050 4.092 4.320 -0.295 0.000 0.216 171 A C -0.935 176.337 177.584 -0.520 0.000 1.170 171 A CA 1.692 53.505 52.037 -0.374 0.000 0.645 171 A CB 0.797 19.480 19.000 -0.529 0.000 0.816 171 A HN -0.773 7.311 8.150 -0.072 0.024 0.447 172 Y N -5.279 115.062 120.300 0.068 0.000 2.658 172 Y HA 0.469 5.096 4.550 0.129 0.000 0.362 172 Y C -2.533 173.432 175.900 0.109 0.000 1.017 172 Y CA -3.229 54.947 58.100 0.126 0.000 1.134 172 Y CB 0.171 38.760 38.460 0.216 0.000 1.144 172 Y HN -0.665 7.560 8.280 0.063 0.092 0.655 173 P HA -0.004 4.569 4.420 0.106 -0.089 0.263 173 P C 0.497 177.867 177.300 0.116 0.000 1.195 173 P CA 0.506 63.675 63.100 0.115 0.000 0.762 173 P CB 0.141 31.882 31.700 0.068 0.000 0.799 174 G N 5.148 114.007 108.800 0.099 0.000 2.168 174 G HA2 -0.248 3.750 3.960 0.064 0.000 0.263 174 G HA3 -0.248 3.745 3.960 0.055 0.000 0.263 174 G C 0.081 175.031 174.900 0.083 0.000 0.977 174 G CA 0.844 45.989 45.100 0.075 0.000 0.659 174 G HN 0.487 8.834 8.290 0.095 0.000 0.533 175 Q N -2.072 117.814 119.800 0.144 0.000 2.280 175 Q HA 0.074 4.449 4.340 0.058 0.000 0.228 175 Q C -0.251 175.888 176.000 0.231 0.000 0.857 175 Q CA -0.107 55.789 55.803 0.155 0.000 0.939 175 Q CB 1.510 30.382 28.738 0.224 0.000 1.114 175 Q HN -0.400 7.907 8.270 0.184 0.073 0.514 176 I N -0.014 120.689 120.570 0.222 0.000 2.331 176 I HA 0.020 4.344 4.170 0.256 0.000 0.292 176 I C 0.000 176.199 176.117 0.136 0.000 0.998 176 I CA -1.910 59.511 61.300 0.200 0.000 1.267 176 I CB -0.690 37.414 38.000 0.174 0.000 1.386 176 I HN -0.544 7.785 8.210 0.198 0.000 0.476 177 T N 2.378 117.010 114.554 0.130 0.000 2.889 177 T HA 0.359 4.754 4.350 0.075 0.000 0.278 177 T C 0.702 175.456 174.700 0.089 0.000 0.995 177 T CA -2.041 60.113 62.100 0.091 0.000 0.966 177 T CB 2.426 71.342 68.868 0.079 0.000 1.237 177 T HN -0.389 7.945 8.240 0.157 0.000 0.591 178 S N -2.322 113.416 115.700 0.063 0.000 2.555 178 S HA -0.200 4.309 4.470 0.065 0.000 0.230 178 S C 0.217 174.857 174.600 0.068 0.000 0.978 178 S CA 1.947 60.179 58.200 0.055 0.000 0.934 178 S CB -0.204 63.008 63.200 0.021 0.000 0.766 178 S HN 0.254 8.593 8.310 0.048 0.000 0.533 179 N N 0.370 119.124 118.700 0.090 0.000 2.251 179 N HA 0.177 4.982 4.740 0.108 0.000 0.217 179 N C -1.695 173.935 175.510 0.199 0.000 1.124 179 N CA -0.529 52.605 53.050 0.139 0.000 0.843 179 N CB 0.734 39.322 38.487 0.168 0.000 1.024 179 N HN -0.617 7.741 8.380 0.089 0.075 0.501 180 M N -1.367 118.338 119.600 0.174 0.000 2.593 180 M HA 0.827 5.592 4.480 0.094 -0.228 0.290 180 M C -2.146 174.269 176.300 0.193 0.000 1.244 180 M CA -0.373 55.002 55.300 0.126 0.000 0.857 180 M CB 5.240 37.884 32.600 0.073 0.000 1.738 180 M HN -0.810 7.486 8.290 0.155 0.087 0.461 181 F N -5.389 114.598 119.950 0.062 0.000 2.645 181 F HA 0.605 5.158 4.527 0.043 0.000 0.310 181 F C -2.985 172.869 175.800 0.090 0.000 1.102 181 F CA -1.906 56.131 58.000 0.062 0.000 0.952 181 F CB 2.170 41.205 39.000 0.058 0.000 1.326 181 F HN -0.064 8.078 8.300 -0.263 0.000 0.456 182 c N -0.471 118.269 118.600 0.234 0.000 2.454 182 c HA 1.005 5.794 4.570 0.063 -0.181 0.336 182 c C -1.231 173.035 174.090 0.294 0.000 1.189 182 c CA -1.257 55.168 56.329 0.161 0.000 1.877 182 c CB 3.285 45.855 42.510 0.099 0.000 2.348 182 c HN 0.850 9.271 8.230 0.320 0.000 0.508 183 A N 1.875 124.860 122.820 0.275 0.000 2.466 183 A HA 0.684 5.181 4.320 0.072 -0.134 0.284 183 A C -2.307 175.332 177.584 0.092 0.000 1.049 183 A CA -0.319 51.798 52.037 0.133 0.000 0.760 183 A CB 2.848 21.846 19.000 -0.003 0.000 1.274 183 A HN 0.236 8.586 8.150 0.334 0.000 0.412 184 Y N 2.830 123.162 120.300 0.052 0.000 2.304 184 Y HA 0.062 4.631 4.550 0.033 0.000 0.328 184 Y C 0.365 176.281 175.900 0.028 0.000 1.123 184 Y CA 0.311 58.432 58.100 0.035 0.000 1.218 184 Y CB 0.986 39.464 38.460 0.031 0.000 1.207 184 Y HN -0.095 8.355 8.280 0.283 0.000 0.495 185 L N 2.225 123.525 121.223 0.128 0.000 2.179 185 L HA -0.286 4.086 4.340 0.053 0.000 0.208 185 L C 1.405 178.321 176.870 0.076 0.000 1.096 185 L CA 2.487 57.369 54.840 0.070 0.000 0.779 185 L CB -0.308 41.771 42.059 0.034 0.000 0.922 185 L HN 0.391 8.688 8.230 0.111 0.000 0.443 186 E N -1.024 119.238 120.200 0.103 0.000 2.171 186 E HA -0.219 4.158 4.350 0.046 0.000 0.197 186 E C 0.815 177.451 176.600 0.058 0.000 0.997 186 E CA 1.245 57.685 56.400 0.067 0.000 0.810 186 E CB -0.299 29.437 29.700 0.060 0.000 0.738 186 E HN 0.360 8.788 8.360 0.142 0.017 0.467 187 G N -0.569 108.286 108.800 0.092 0.000 3.355 187 G HA2 -0.296 3.783 3.960 0.099 0.000 0.686 187 G HA3 -0.296 3.715 3.960 0.050 -0.021 0.686 187 G C -1.230 173.698 174.900 0.047 0.000 1.097 187 G CA -0.611 44.533 45.100 0.075 0.000 0.881 187 G HN -0.462 7.803 8.290 0.148 0.113 0.550 188 K N 2.223 122.629 120.400 0.010 0.000 7.194 188 K HA -0.600 3.952 4.320 0.024 -0.218 0.590 188 K C -1.229 175.461 176.600 0.151 0.000 2.578 188 K CA 1.113 57.430 56.287 0.049 0.000 2.000 188 K CB 0.281 32.747 32.500 -0.056 0.000 1.952 188 K HN 0.375 8.651 8.250 0.042 0.000 0.278 189 D N -1.706 118.771 120.400 0.129 0.000 2.993 189 D HA 0.178 4.929 4.640 0.186 0.000 0.284 189 D C -1.740 174.623 176.300 0.106 0.000 1.172 189 D CA -0.408 53.676 54.000 0.139 0.000 0.729 189 D CB 3.216 44.081 40.800 0.108 0.000 1.270 189 D HN -0.106 8.321 8.370 0.094 0.000 0.436 190 S N -1.189 114.585 115.700 0.124 0.000 2.632 190 S HA 0.094 4.617 4.470 0.088 0.000 0.267 190 S C -1.510 173.129 174.600 0.064 0.000 1.193 190 S CA -0.036 58.227 58.200 0.105 0.000 1.003 190 S CB 1.270 64.568 63.200 0.163 0.000 1.073 190 S HN 0.324 8.723 8.310 0.148 0.000 0.553 191 c N -1.590 117.049 118.600 0.064 0.000 3.292 191 c HA 0.088 4.689 4.570 0.051 0.000 0.338 191 c C -1.422 172.725 174.090 0.095 0.000 1.323 191 c CA -0.546 55.815 56.329 0.053 0.000 1.232 191 c CB 2.689 45.205 42.510 0.010 0.000 1.517 191 c HN -0.096 8.329 8.230 0.083 -0.146 0.470 192 Q N 1.513 121.382 119.800 0.115 0.000 2.428 192 Q HA -0.222 4.233 4.340 0.191 0.000 0.276 192 Q C 0.671 176.842 176.000 0.284 0.000 1.059 192 Q CA 1.197 57.117 55.803 0.193 0.000 0.923 192 Q CB 0.024 28.885 28.738 0.206 0.000 1.283 192 Q HN 0.351 8.675 8.270 0.090 0.000 0.447 193 G N 3.278 112.278 108.800 0.333 0.000 3.349 193 G HA2 -0.448 3.752 3.960 0.400 0.000 0.202 193 G HA3 -0.448 3.870 3.960 0.597 0.000 0.202 193 G C 0.248 175.357 174.900 0.349 0.000 1.588 193 G CA 0.387 45.750 45.100 0.438 0.000 1.198 193 G HN 0.628 9.091 8.290 0.288 0.000 0.588 194 D N 3.188 123.763 120.400 0.292 0.000 2.369 194 D HA -0.346 4.455 4.640 0.268 0.000 0.213 194 D C 0.271 176.688 176.300 0.196 0.000 0.982 194 D CA 1.972 56.111 54.000 0.231 0.000 0.931 194 D CB -0.206 40.688 40.800 0.156 0.000 0.889 194 D HN -0.314 8.156 8.370 0.265 0.059 0.487 195 S N -4.777 111.046 115.700 0.205 0.000 2.558 195 S HA -0.258 4.442 4.470 0.180 -0.122 0.293 195 S C 1.485 176.118 174.600 0.056 0.000 1.292 195 S CA 1.116 59.424 58.200 0.180 0.000 1.063 195 S CB -0.632 62.792 63.200 0.372 0.000 0.831 195 S HN -0.373 7.999 8.310 0.235 0.078 0.499 196 G N 4.741 113.548 108.800 0.011 0.000 2.217 196 G HA2 -0.411 3.589 3.960 -0.050 0.000 0.246 196 G HA3 -0.411 3.651 3.960 -0.058 -0.137 0.246 196 G C -0.285 174.650 174.900 0.059 0.000 0.990 196 G CA 0.276 45.365 45.100 -0.019 0.000 0.627 196 G HN 0.584 8.899 8.290 0.042 0.000 0.522 197 G N 1.023 109.885 108.800 0.103 0.000 2.634 197 G HA2 0.308 4.347 3.960 0.132 0.000 0.255 197 G HA3 0.308 4.346 3.960 0.130 0.000 0.255 197 G C -2.612 172.372 174.900 0.139 0.000 1.205 197 G CA -1.955 43.222 45.100 0.128 0.000 0.884 197 G HN -0.539 7.731 8.290 0.112 0.088 0.549 198 P HA 0.391 5.033 4.420 0.128 -0.145 0.281 198 P C -1.478 175.887 177.300 0.109 0.000 1.249 198 P CA -0.935 62.253 63.100 0.147 0.000 0.810 198 P CB 1.608 33.441 31.700 0.223 0.000 1.008 199 V N 1.570 121.527 119.914 0.071 0.000 2.419 199 V HA 0.369 4.675 4.120 -0.013 -0.194 0.287 199 V C -1.256 174.842 176.094 0.006 0.000 1.017 199 V CA -0.426 61.878 62.300 0.006 0.000 0.844 199 V CB 1.909 33.710 31.823 -0.037 0.000 1.011 199 V HN -0.238 7.999 8.190 0.078 0.000 0.429 200 V N 7.962 127.869 119.914 -0.011 0.000 2.513 200 V HA 0.703 4.966 4.120 -0.083 -0.193 0.299 200 V C -1.417 174.650 176.094 -0.045 0.000 1.035 200 V CA -1.462 60.800 62.300 -0.063 0.000 0.889 200 V CB 3.361 35.110 31.823 -0.124 0.000 0.988 200 V HN 0.863 9.063 8.190 0.016 0.000 0.440 201 c N 5.745 124.307 118.600 -0.065 0.000 2.482 201 c HA 0.587 5.131 4.570 -0.044 0.000 0.317 201 c C 0.581 174.635 174.090 -0.060 0.000 1.197 201 c CA -1.529 54.762 56.329 -0.063 0.000 1.432 201 c CB 2.214 44.666 42.510 -0.098 0.000 2.062 201 c HN 0.625 8.808 8.230 -0.078 0.000 0.471 202 S N 3.355 119.029 115.700 -0.043 0.000 3.521 202 S HA -0.431 4.024 4.470 -0.024 0.000 0.362 202 S C -0.195 174.382 174.600 -0.038 0.000 1.044 202 S CA 1.134 59.313 58.200 -0.036 0.000 1.091 202 S CB -1.208 61.968 63.200 -0.041 0.000 0.908 202 S HN 1.196 9.486 8.310 -0.033 0.000 0.473 203 G N -4.186 104.589 108.800 -0.042 0.000 2.148 203 G HA2 -0.443 3.484 3.960 -0.054 0.000 0.254 203 G HA3 -0.443 3.495 3.960 -0.037 0.000 0.254 203 G C -1.457 173.392 174.900 -0.086 0.000 0.981 203 G CA 0.126 45.193 45.100 -0.054 0.000 0.670 203 G HN -0.009 8.233 8.290 -0.037 0.025 0.528 210 Q N 1.277 121.086 119.800 0.015 0.000 2.378 210 Q HA 0.214 4.578 4.340 0.039 0.000 0.229 210 Q C -0.345 175.799 176.000 0.239 0.000 0.882 210 Q CA 0.095 55.924 55.803 0.043 0.000 0.936 210 Q CB 2.882 31.560 28.738 -0.100 0.000 1.092 210 Q HN 0.437 8.708 8.270 0.000 0.000 0.535 211 G N -2.980 105.984 108.800 0.274 0.000 2.695 211 G HA2 0.595 5.045 3.960 0.429 0.000 0.290 211 G HA3 0.595 4.858 3.960 0.505 0.000 0.290 211 G C -3.293 171.734 174.900 0.212 0.000 1.410 211 G CA -0.541 44.783 45.100 0.374 0.000 0.844 211 G HN -0.315 8.072 8.290 0.162 0.000 0.478 212 I N -1.318 119.371 120.570 0.198 0.000 2.498 212 I HA 0.532 4.996 4.170 0.152 -0.202 0.290 212 I C -0.460 175.776 176.117 0.198 0.000 1.032 212 I CA -1.368 60.026 61.300 0.155 0.000 1.073 212 I CB 4.233 42.283 38.000 0.084 0.000 1.251 212 I HN -0.435 7.890 8.210 0.191 0.000 0.426 213 V N 6.997 127.039 119.914 0.214 0.000 2.493 213 V HA -0.232 3.937 4.120 0.081 0.000 0.292 213 V C -1.061 175.066 176.094 0.054 0.000 1.016 213 V CA 2.156 64.537 62.300 0.136 0.000 1.097 213 V CB -0.934 30.989 31.823 0.167 0.000 0.947 213 V HN 0.622 8.818 8.190 0.190 0.107 0.479 214 S N 8.008 123.661 115.700 -0.079 0.000 3.066 214 S HA 0.396 5.176 4.470 0.379 -0.082 0.235 214 S C -1.181 173.552 174.600 0.222 0.000 0.995 214 S CA 0.519 58.821 58.200 0.169 0.000 0.835 214 S CB 2.277 65.542 63.200 0.108 0.000 0.814 214 S HN 0.026 8.097 8.310 -0.399 0.000 0.594 215 W N -3.782 117.381 121.300 -0.227 0.000 2.923 215 W HA 0.295 4.849 4.660 -0.175 0.000 0.373 215 W C -2.941 173.411 176.519 -0.278 0.000 1.205 215 W CA -1.041 56.166 57.345 -0.230 0.000 1.180 215 W CB 1.733 31.051 29.460 -0.236 0.000 1.477 215 W HN -0.063 7.826 8.180 -0.484 0.000 0.581 216 G N -2.914 105.920 108.800 0.057 0.000 2.548 216 G HA2 0.358 4.087 3.960 -0.384 0.000 0.301 216 G HA3 0.358 4.266 3.960 -0.085 0.000 0.301 216 G C -2.282 172.725 174.900 0.178 0.000 1.349 216 G CA -0.103 44.947 45.100 -0.084 0.000 0.792 216 G HN -0.002 8.450 8.290 0.271 0.000 0.481 220 c N 1.985 120.620 118.600 0.058 0.000 3.276 220 c HA 0.445 5.175 4.570 0.056 -0.126 0.226 220 c C -0.994 173.126 174.090 0.050 0.000 1.502 220 c CA -1.561 54.798 56.329 0.050 0.000 1.488 220 c CB -1.771 40.758 42.510 0.033 0.000 2.014 220 c HN 0.329 8.590 8.230 0.052 0.000 0.492 221 Q N -1.922 117.909 119.800 0.051 0.000 3.059 221 Q HA 0.115 4.474 4.340 0.031 0.000 0.299 221 Q C -2.065 173.955 176.000 0.035 0.000 0.900 221 Q CA -0.433 55.393 55.803 0.038 0.000 0.813 221 Q CB 2.140 30.900 28.738 0.036 0.000 1.696 221 Q HN -0.138 8.168 8.270 0.060 0.000 0.504 222 K N 1.021 121.435 120.400 0.022 0.000 2.270 222 K HA -0.113 4.407 4.320 0.031 -0.181 0.276 222 K C 0.355 176.952 176.600 -0.005 0.000 1.023 222 K CA 1.246 57.543 56.287 0.017 0.000 0.955 222 K CB 0.520 33.027 32.500 0.012 0.000 0.975 222 K HN 0.250 8.511 8.250 0.019 0.000 0.471 223 N N 1.749 120.443 118.700 -0.011 0.000 2.713 223 N HA -0.365 4.351 4.740 -0.040 0.000 0.251 223 N C -1.383 174.058 175.510 -0.116 0.000 1.117 223 N CA 2.009 55.028 53.050 -0.053 0.000 0.770 223 N CB -0.702 37.748 38.487 -0.061 0.000 1.137 223 N HN 0.755 9.020 8.380 0.010 0.121 0.566 224 K N -1.043 119.318 120.400 -0.064 0.000 2.679 224 K HA 0.528 4.693 4.320 -0.258 0.000 0.188 224 K C -2.404 174.233 176.600 0.062 0.000 1.055 224 K CA -3.791 52.459 56.287 -0.062 0.000 1.006 224 K CB 0.417 32.928 32.500 0.017 0.000 1.317 224 K HN -0.815 7.356 8.250 -0.012 0.072 0.584 225 P HA -0.029 4.451 4.420 0.100 0.000 0.275 225 P C -0.792 176.550 177.300 0.071 0.000 1.266 225 P CA -0.500 62.659 63.100 0.099 0.000 0.793 225 P CB 1.306 33.056 31.700 0.082 0.000 1.074 226 G N -2.884 105.923 108.800 0.011 0.000 2.476 226 G HA2 0.347 4.125 3.960 -0.304 0.000 0.286 226 G HA3 0.347 4.205 3.960 -0.279 -0.065 0.286 226 G C -1.665 172.881 174.900 -0.590 0.000 1.177 226 G CA -0.871 44.055 45.100 -0.289 0.000 0.870 226 G HN -0.453 7.907 8.290 0.117 0.000 0.528 227 V N 0.866 120.120 119.914 -1.101 0.000 2.555 227 V HA 0.606 4.429 4.120 -0.768 -0.164 0.302 227 V C -1.035 174.269 176.094 -1.316 0.000 1.038 227 V CA -1.053 60.541 62.300 -1.177 0.000 0.887 227 V CB 2.574 33.256 31.823 -1.902 0.000 0.991 227 V HN 0.569 8.105 8.190 -1.091 0.000 0.434 228 Y N 5.090 124.963 120.300 -0.712 0.000 2.485 228 Y HA 0.596 5.068 4.550 -0.383 -0.151 0.345 228 Y C 0.197 175.819 175.900 -0.463 0.000 0.998 228 Y CA -2.315 55.389 58.100 -0.659 0.000 1.059 228 Y CB 3.563 41.354 38.460 -1.115 0.000 1.234 228 Y HN 1.036 8.885 8.280 -0.718 0.000 0.461 229 T N 4.771 119.296 114.554 -0.048 0.000 2.870 229 T HA -0.041 4.507 4.350 0.106 -0.134 0.300 229 T C -0.621 174.229 174.700 0.250 0.000 0.989 229 T CA 1.745 63.899 62.100 0.090 0.000 1.139 229 T CB 0.466 69.366 68.868 0.053 0.000 0.920 229 T HN 0.330 8.567 8.240 -0.003 0.000 0.537 230 K N 8.229 128.858 120.400 0.382 0.000 2.150 230 K HA 0.130 4.872 4.320 0.704 0.000 0.261 230 K C 1.079 177.932 176.600 0.422 0.000 1.127 230 K CA -0.685 55.897 56.287 0.492 0.000 0.989 230 K CB -0.315 32.425 32.500 0.399 0.000 1.475 230 K HN 0.105 8.458 8.250 0.341 0.101 0.391 231 V N 5.908 126.050 119.914 0.380 0.000 2.380 231 V HA -0.551 3.854 4.120 0.475 0.000 0.251 231 V C 1.371 177.624 176.094 0.265 0.000 1.063 231 V CA 4.007 66.513 62.300 0.345 0.000 1.055 231 V CB -0.296 31.656 31.823 0.216 0.000 0.657 231 V HN 0.183 8.609 8.190 0.393 0.000 0.455 232 c N -3.714 114.977 118.600 0.151 0.000 2.409 232 c HA -0.227 4.384 4.570 0.069 0.000 0.284 232 c C 1.645 175.753 174.090 0.030 0.000 1.354 232 c CA 1.625 57.995 56.329 0.068 0.000 1.787 232 c CB -2.103 40.415 42.510 0.013 0.000 1.900 232 c HN 0.485 8.784 8.230 0.141 0.016 0.520 233 N N 0.950 119.638 118.700 -0.019 0.000 2.467 233 N HA -0.071 4.572 4.740 -0.161 0.000 0.184 233 N C 0.259 175.538 175.510 -0.385 0.000 1.106 233 N CA 1.040 53.937 53.050 -0.254 0.000 0.892 233 N CB 0.019 38.220 38.487 -0.477 0.000 0.969 233 N HN -0.295 8.078 8.380 0.066 0.046 0.454 234 Y N -4.460 115.907 120.300 0.110 0.000 2.612 234 Y HA 0.186 4.871 4.550 0.225 0.000 0.250 234 Y C -0.235 175.800 175.900 0.226 0.000 1.175 234 Y CA -0.986 57.238 58.100 0.207 0.000 1.205 234 Y CB -0.395 38.215 38.460 0.249 0.000 1.201 234 Y HN -0.114 8.105 8.280 0.205 0.184 0.532 235 V N 1.129 121.179 119.914 0.226 0.000 2.295 235 V HA -0.562 3.648 4.120 0.151 0.000 0.246 235 V C 1.300 177.463 176.094 0.115 0.000 1.049 235 V CA 4.924 67.311 62.300 0.145 0.000 1.024 235 V CB -0.505 31.364 31.823 0.077 0.000 0.648 235 V HN -0.721 7.563 8.190 0.156 0.000 0.447 236 S N -0.176 115.594 115.700 0.117 0.000 2.382 236 S HA -0.333 4.159 4.470 0.037 0.000 0.228 236 S C 1.795 176.466 174.600 0.119 0.000 1.027 236 S CA 3.156 61.408 58.200 0.087 0.000 0.991 236 S CB -0.446 62.803 63.200 0.081 0.000 0.823 236 S HN 0.148 8.526 8.310 0.113 0.000 0.469 237 W N 3.579 124.918 121.300 0.065 0.000 2.381 237 W HA -0.171 4.512 4.660 0.038 0.000 0.301 237 W C 1.233 177.765 176.519 0.022 0.000 1.205 237 W CA 3.050 60.440 57.345 0.076 0.000 1.285 237 W CB 0.071 29.659 29.460 0.213 0.000 1.133 237 W HN -0.457 7.946 8.180 0.384 0.007 0.521 238 I N -0.484 120.063 120.570 -0.037 0.000 2.142 238 I HA -0.759 2.952 4.170 -0.766 0.000 0.240 238 I C 1.868 177.741 176.117 -0.408 0.000 1.078 238 I CA 4.602 65.689 61.300 -0.355 0.000 1.343 238 I CB -0.198 37.763 38.000 -0.064 0.000 1.046 238 I HN 0.349 8.731 8.210 0.287 0.000 0.405 239 K N -1.905 118.361 120.400 -0.223 0.000 2.103 239 K HA -0.473 3.697 4.320 -0.251 0.000 0.207 239 K C 2.591 179.041 176.600 -0.249 0.000 1.048 239 K CA 3.761 59.918 56.287 -0.215 0.000 0.930 239 K CB -0.412 32.023 32.500 -0.109 0.000 0.716 239 K HN -0.050 8.135 8.250 -0.110 0.000 0.444 240 Q N -1.142 118.520 119.800 -0.230 0.000 2.083 240 Q HA -0.269 3.980 4.340 -0.153 0.000 0.198 240 Q C 2.135 177.956 176.000 -0.299 0.000 0.969 240 Q CA 3.598 59.279 55.803 -0.202 0.000 0.838 240 Q CB -0.093 28.576 28.738 -0.116 0.000 0.900 240 Q HN -0.111 8.029 8.270 -0.196 0.013 0.436 241 T N 2.957 117.214 114.554 -0.496 0.000 2.737 241 T HA -0.361 3.765 4.350 -0.372 0.000 0.265 241 T C 1.964 176.316 174.700 -0.580 0.000 1.038 241 T CA 5.426 67.188 62.100 -0.562 0.000 1.144 241 T CB -0.254 68.034 68.868 -0.966 0.000 0.866 241 T HN -0.037 7.847 8.240 -0.593 0.000 0.434 242 I N -3.097 116.983 120.570 -0.817 0.000 2.361 242 I HA -0.280 2.927 4.170 -1.604 0.000 0.251 242 I C 1.832 177.684 176.117 -0.441 0.000 1.133 242 I CA 3.150 63.789 61.300 -1.102 0.000 1.413 242 I CB -0.642 36.529 38.000 -1.382 0.000 1.073 242 I HN -0.091 7.645 8.210 -0.790 0.000 0.424 243 A N -0.173 122.462 122.820 -0.308 0.000 2.014 243 A HA -0.145 4.120 4.320 -0.092 0.000 0.218 243 A C 0.807 178.347 177.584 -0.074 0.000 1.163 243 A CA 2.065 54.020 52.037 -0.138 0.000 0.652 243 A CB -0.310 18.618 19.000 -0.120 0.000 0.808 243 A HN -0.249 7.669 8.150 -0.357 0.018 0.449 244 S N -3.626 112.016 115.700 -0.097 0.000 2.556 244 S HA 0.071 4.532 4.470 -0.015 0.000 0.216 244 S C -0.834 173.780 174.600 0.024 0.000 0.970 244 S CA 0.745 58.925 58.200 -0.035 0.000 0.912 244 S CB 0.656 63.825 63.200 -0.052 0.000 0.790 244 S HN -0.416 7.651 8.310 -0.173 0.139 0.504 245 N N 0.000 118.749 118.700 0.082 0.000 1.763 245 N HA 0.000 4.826 4.740 0.143 0.000 0.220 245 N CA 0.000 53.180 53.050 0.217 0.000 0.885 245 N CB 0.000 38.676 38.487 0.315 0.000 1.341 245 N HN 0.000 8.239 8.380 0.043 0.167 0.667