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 1o2l_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.183 4.170 0.021 0.000 0.288 16 I C 0.000 176.107 176.117 -0.017 0.000 1.063 16 I CA 0.000 61.294 61.300 -0.010 0.000 1.566 16 I CB 0.000 37.959 38.000 -0.069 0.000 1.214 17 V N 6.091 126.007 119.914 0.003 0.000 2.472 17 V HA 0.189 4.432 4.120 -0.019 -0.135 0.290 17 V C 0.676 176.770 176.094 0.000 0.000 1.037 17 V CA -1.442 60.855 62.300 -0.004 0.000 0.908 17 V CB 1.023 32.849 31.823 0.006 0.000 0.985 17 V HN 0.894 8.992 8.190 0.025 0.107 0.454 18 G N 6.691 115.486 108.800 -0.009 0.000 2.179 18 G HA2 -0.405 3.548 3.960 -0.011 0.000 0.257 18 G HA3 -0.405 3.702 3.960 -0.025 -0.162 0.257 18 G C -0.669 174.236 174.900 0.009 0.000 1.010 18 G CA 0.561 45.654 45.100 -0.011 0.000 0.736 18 G HN 0.816 9.099 8.290 -0.012 0.000 0.513 19 G N -1.092 107.709 108.800 0.003 0.000 2.702 19 G HA2 0.528 4.517 3.960 0.071 0.000 0.254 19 G HA3 0.528 4.505 3.960 -0.112 -0.085 0.254 19 G C -1.803 173.133 174.900 0.060 0.000 1.380 19 G CA -1.033 44.064 45.100 -0.006 0.000 1.042 19 G HN -0.673 7.575 8.290 -0.016 0.032 0.557 20 Y N -6.102 114.179 120.300 -0.032 0.000 2.609 20 Y HA 0.387 4.920 4.550 -0.029 0.000 0.342 20 Y C -1.763 174.111 175.900 -0.043 0.000 1.058 20 Y CA -2.808 55.273 58.100 -0.032 0.000 1.055 20 Y CB 1.155 39.598 38.460 -0.027 0.000 1.292 20 Y HN 0.312 8.185 8.280 -0.678 0.000 0.476 21 T N 2.400 117.020 114.554 0.110 0.000 2.853 21 T HA 0.086 4.521 4.350 -0.090 -0.139 0.298 21 T C 0.230 174.971 174.700 0.068 0.000 0.978 21 T CA 0.999 63.108 62.100 0.015 0.000 1.152 21 T CB -0.005 68.892 68.868 0.049 0.000 0.914 21 T HN 0.008 8.356 8.240 0.181 0.000 0.539 22 c N 5.864 124.413 118.600 -0.085 0.000 2.446 22 c HA -0.076 4.527 4.570 0.055 0.000 0.277 22 c C 0.302 174.411 174.090 0.032 0.000 1.275 22 c CA 0.519 56.825 56.329 -0.038 0.000 1.727 22 c CB 0.273 42.685 42.510 -0.163 0.000 2.010 22 c HN -0.043 8.082 8.230 -0.175 0.000 0.486 23 G N -1.527 107.277 108.800 0.006 0.000 3.233 23 G HA2 -0.189 3.787 3.960 0.026 0.000 0.686 23 G HA3 -0.189 3.788 3.960 0.029 0.000 0.686 23 G C -1.673 173.228 174.900 0.001 0.000 1.153 23 G CA -0.711 44.400 45.100 0.019 0.000 0.853 23 G HN -0.321 7.957 8.290 -0.019 0.000 0.582 24 A N 4.157 126.986 122.820 0.015 0.000 2.567 24 A HA -0.254 4.308 4.320 0.029 -0.225 0.240 24 A C -0.300 177.290 177.584 0.010 0.000 1.053 24 A CA 1.074 53.124 52.037 0.022 0.000 0.755 24 A CB 0.024 19.044 19.000 0.033 0.000 0.978 24 A HN 0.346 8.509 8.150 0.022 0.000 0.507 25 N N -2.762 115.941 118.700 0.006 0.000 2.708 25 N HA -0.382 4.350 4.740 -0.013 0.000 0.251 25 N C 0.452 175.944 175.510 -0.029 0.000 1.123 25 N CA 1.771 54.816 53.050 -0.008 0.000 0.739 25 N CB -1.124 37.368 38.487 0.009 0.000 1.113 25 N HN 0.576 8.967 8.380 0.018 0.000 0.561 26 T N -3.518 111.010 114.554 -0.042 0.000 3.100 26 T HA 0.009 4.351 4.350 -0.013 0.000 0.253 26 T C 0.022 174.674 174.700 -0.081 0.000 1.118 26 T CA 2.043 64.123 62.100 -0.034 0.000 1.058 26 T CB 0.391 69.253 68.868 -0.010 0.000 0.953 26 T HN -0.317 7.861 8.240 -0.046 0.034 0.515 27 V N 2.340 122.150 119.914 -0.174 0.000 2.320 27 V HA 0.392 4.277 4.120 -0.392 0.000 0.257 27 V C -1.535 174.283 176.094 -0.460 0.000 0.996 27 V CA -3.419 58.636 62.300 -0.407 0.000 0.928 27 V CB 0.335 31.883 31.823 -0.459 0.000 1.169 27 V HN -0.494 7.535 8.190 -0.148 0.073 0.475 28 P HA 0.008 4.509 4.420 -0.069 -0.122 0.228 28 P C 0.137 177.406 177.300 -0.051 0.000 1.151 28 P CA 1.702 64.744 63.100 -0.097 0.000 0.770 28 P CB 0.019 31.729 31.700 0.017 0.000 0.786 29 Y N -6.456 113.870 120.300 0.043 0.000 2.462 29 Y HA 0.525 5.253 4.550 0.057 -0.145 0.261 29 Y C -0.551 175.387 175.900 0.063 0.000 1.146 29 Y CA -3.249 54.882 58.100 0.052 0.000 1.283 29 Y CB -1.060 37.426 38.460 0.043 0.000 1.090 29 Y HN -0.427 7.328 8.280 -0.776 0.060 0.526 30 Q N 2.903 122.576 119.800 -0.212 0.000 2.332 30 Q HA 0.226 4.754 4.340 0.084 -0.138 0.263 30 Q C -0.348 175.736 176.000 0.140 0.000 0.979 30 Q CA 0.207 55.992 55.803 -0.030 0.000 0.885 30 Q CB 1.179 29.800 28.738 -0.195 0.000 1.218 30 Q HN -0.614 7.309 8.270 -0.489 0.054 0.405 31 V N 0.674 120.708 119.914 0.201 0.000 3.074 31 V HA 0.800 5.152 4.120 0.193 -0.117 0.314 31 V C -2.012 174.228 176.094 0.244 0.000 1.117 31 V CA -2.883 59.529 62.300 0.186 0.000 1.014 31 V CB 4.070 35.954 31.823 0.102 0.000 1.057 31 V HN 0.281 8.586 8.190 0.192 0.000 0.438 32 S N 0.624 116.372 115.700 0.080 0.000 2.472 32 S HA 0.448 5.147 4.470 0.198 -0.110 0.303 32 S C -1.162 173.324 174.600 -0.190 0.000 1.099 32 S CA -2.249 55.935 58.200 -0.025 0.000 1.077 32 S CB 1.724 64.707 63.200 -0.361 0.000 1.031 32 S HN -0.035 8.284 8.310 0.015 0.000 0.487 33 L N 6.891 127.870 121.223 -0.407 0.000 2.282 33 L HA 0.458 4.697 4.340 -0.355 -0.112 0.288 33 L C -1.714 174.728 176.870 -0.713 0.000 1.033 33 L CA -0.766 53.708 54.840 -0.610 0.000 0.807 33 L CB 1.125 42.593 42.059 -0.984 0.000 1.209 33 L HN 0.750 8.697 8.230 -0.472 0.000 0.423 38 G N 0.911 109.645 108.800 -0.110 0.000 2.179 38 G HA2 -0.346 3.612 3.960 -0.003 0.000 0.220 38 G HA3 -0.346 3.696 3.960 0.137 0.000 0.220 38 G C -1.800 173.217 174.900 0.196 0.000 0.990 38 G CA 0.241 45.375 45.100 0.057 0.000 0.646 38 G HN 0.311 8.761 8.290 -0.161 -0.257 0.517 39 Y N -6.907 113.365 120.300 -0.046 0.000 2.702 39 Y HA 0.236 4.748 4.550 -0.063 0.000 0.336 39 Y C -2.464 173.432 175.900 -0.007 0.000 1.203 39 Y CA -3.713 54.363 58.100 -0.040 0.000 1.072 39 Y CB 0.610 39.046 38.460 -0.040 0.000 1.327 39 Y HN -1.169 6.948 8.280 -0.298 -0.016 0.456 40 H N 2.463 121.475 119.070 -0.097 0.000 2.722 40 H HA 0.113 4.632 4.556 -0.346 -0.171 0.328 40 H C -0.489 174.779 175.328 -0.100 0.000 1.067 40 H CA -0.517 55.397 56.048 -0.223 0.000 1.447 40 H CB 0.551 30.171 29.762 -0.236 0.000 1.469 40 H HN 0.282 8.658 8.280 0.159 0.000 0.544 41 F N 2.055 121.499 119.950 -0.844 0.000 2.784 41 F HA 0.313 4.675 4.527 -0.275 0.000 0.316 41 F C -1.473 174.036 175.800 -0.484 0.000 1.026 41 F CA -0.485 57.212 58.000 -0.503 0.000 1.188 41 F CB 1.620 40.387 39.000 -0.388 0.000 0.999 41 F HN 0.071 7.610 8.300 -1.269 0.000 0.605 42 c N -1.660 116.241 118.600 -1.166 0.000 3.332 42 c HA 0.535 5.018 4.570 -0.240 -0.057 0.329 42 c C -1.486 172.390 174.090 -0.358 0.000 1.434 42 c CA -0.535 55.459 56.329 -0.559 0.000 1.314 42 c CB 4.163 46.413 42.510 -0.434 0.000 1.664 42 c HN -0.829 6.375 8.230 -1.710 0.000 0.457 43 G N -1.166 107.610 108.800 -0.039 0.000 2.705 43 G HA2 0.820 5.062 3.960 0.223 0.000 0.299 43 G HA3 0.820 4.903 3.960 0.204 0.000 0.299 43 G C -2.547 172.374 174.900 0.036 0.000 1.315 43 G CA -1.700 43.478 45.100 0.130 0.000 1.045 43 G HN 0.715 8.880 8.290 -0.029 0.107 0.517 44 G N -4.031 104.825 108.800 0.094 0.000 2.559 44 G HA2 0.552 4.820 3.960 0.074 0.000 0.291 44 G HA3 0.552 4.545 3.960 0.054 0.000 0.291 44 G C -2.960 172.025 174.900 0.142 0.000 1.424 44 G CA 0.282 45.432 45.100 0.084 0.000 0.786 44 G HN -0.554 7.826 8.290 0.150 0.000 0.485 45 S N -0.334 115.454 115.700 0.148 0.000 2.532 45 S HA 0.773 5.611 4.470 0.274 -0.203 0.299 45 S C -1.160 173.543 174.600 0.172 0.000 1.105 45 S CA -0.879 57.441 58.200 0.201 0.000 1.018 45 S CB 3.559 66.860 63.200 0.169 0.000 1.021 45 S HN 0.481 8.864 8.310 0.123 0.000 0.483 46 L N 6.841 128.183 121.223 0.198 0.000 2.369 46 L HA 0.114 4.659 4.340 0.149 -0.115 0.279 46 L C -0.699 176.257 176.870 0.144 0.000 1.108 46 L CA 0.035 54.973 54.840 0.163 0.000 0.852 46 L CB 0.793 42.947 42.059 0.158 0.000 1.169 46 L HN 0.500 8.777 8.230 0.258 0.108 0.452 47 I N 0.277 120.929 120.570 0.137 0.000 3.854 47 I HA 0.425 4.637 4.170 0.071 0.000 0.312 47 I C -0.831 175.347 176.117 0.103 0.000 1.273 47 I CA -0.371 60.989 61.300 0.099 0.000 1.298 47 I CB 0.869 38.916 38.000 0.079 0.000 1.071 47 I HN 0.352 8.662 8.210 0.165 0.000 0.428 48 N N -2.378 116.407 118.700 0.143 0.000 3.179 48 N HA 0.167 4.966 4.740 0.099 0.000 0.250 48 N C -0.514 175.077 175.510 0.135 0.000 1.507 48 N CA -0.550 52.581 53.050 0.134 0.000 0.883 48 N CB 0.989 39.568 38.487 0.153 0.000 1.435 48 N HN -0.910 7.572 8.380 0.170 0.000 0.532 49 S N -3.508 112.257 115.700 0.108 0.000 2.547 49 S HA -0.317 4.195 4.470 0.071 0.000 0.235 49 S C 0.769 175.402 174.600 0.054 0.000 0.980 49 S CA 2.684 60.929 58.200 0.076 0.000 0.941 49 S CB -0.201 63.033 63.200 0.056 0.000 0.763 49 S HN 0.412 8.783 8.310 0.101 0.000 0.532 50 Q N -0.813 119.034 119.800 0.079 0.000 2.127 50 Q HA 0.334 4.613 4.340 -0.102 0.000 0.222 50 Q C -2.237 173.622 176.000 -0.236 0.000 0.794 50 Q CA -0.670 55.081 55.803 -0.087 0.000 1.010 50 Q CB 2.443 31.106 28.738 -0.125 0.000 1.170 50 Q HN 0.053 8.721 8.270 0.175 -0.293 0.479 51 W N -2.089 119.219 121.300 0.014 0.000 3.022 51 W HA 0.692 5.571 4.660 0.011 -0.212 0.335 51 W C -1.465 175.069 176.519 0.026 0.000 1.133 51 W CA -0.935 56.418 57.345 0.013 0.000 1.219 51 W CB 3.790 33.248 29.460 -0.003 0.000 1.409 51 W HN -0.629 7.766 8.180 0.245 -0.069 0.507 52 V N 1.053 121.125 119.914 0.264 0.000 2.823 52 V HA 0.754 5.148 4.120 0.172 -0.171 0.312 52 V C -1.558 174.649 176.094 0.188 0.000 1.072 52 V CA -1.834 60.574 62.300 0.179 0.000 0.937 52 V CB 3.990 35.876 31.823 0.106 0.000 1.013 52 V HN 0.789 9.146 8.190 0.279 0.000 0.430 53 V N 4.879 124.882 119.914 0.148 0.000 2.555 53 V HA 0.763 5.152 4.120 0.156 -0.176 0.302 53 V C -1.273 174.879 176.094 0.096 0.000 1.038 53 V CA -1.382 60.998 62.300 0.133 0.000 0.887 53 V CB 2.485 34.380 31.823 0.120 0.000 0.991 53 V HN 0.590 8.862 8.190 0.136 0.000 0.434 54 S N 3.970 119.714 115.700 0.073 0.000 2.880 54 S HA 0.611 5.305 4.470 0.035 -0.203 0.308 54 S C -2.030 172.566 174.600 -0.006 0.000 1.195 54 S CA -2.637 55.579 58.200 0.027 0.000 0.866 54 S CB 2.627 65.827 63.200 0.000 0.000 1.254 54 S HN 0.528 8.891 8.310 0.089 0.000 0.571 55 A N -0.729 122.051 122.820 -0.066 0.000 2.303 55 A HA 0.475 4.897 4.320 -0.078 -0.149 0.317 55 A C 0.433 177.910 177.584 -0.177 0.000 1.149 55 A CA -1.706 50.261 52.037 -0.117 0.000 0.822 55 A CB 1.522 20.421 19.000 -0.169 0.000 1.131 55 A HN 0.354 8.452 8.150 -0.086 0.000 0.493 56 A N 4.079 126.741 122.820 -0.263 0.000 1.972 56 A HA -0.228 3.952 4.320 -0.234 0.000 0.219 56 A C 1.155 178.504 177.584 -0.392 0.000 1.169 56 A CA 2.792 54.553 52.037 -0.460 0.000 0.635 56 A CB -0.297 18.024 19.000 -1.131 0.000 0.810 56 A HN 0.576 8.615 8.150 -0.240 -0.033 0.446 57 H N -5.258 113.649 119.070 -0.271 0.000 2.556 57 H HA -0.025 4.551 4.556 0.033 0.000 0.268 57 H C -0.124 175.251 175.328 0.077 0.000 0.996 57 H CA 1.037 57.082 56.048 -0.005 0.000 1.157 57 H CB -1.307 28.530 29.762 0.124 0.000 1.355 57 H HN -0.157 8.277 8.280 -0.151 -0.245 0.597 58 c N -1.267 117.230 118.600 -0.172 0.000 2.855 58 c HA 0.021 4.623 4.570 0.054 0.000 0.279 58 c C -1.107 173.048 174.090 0.108 0.000 1.270 58 c CA -0.080 56.243 56.329 -0.009 0.000 1.702 58 c CB -1.324 41.157 42.510 -0.049 0.000 1.949 58 c HN -0.708 7.201 8.230 -0.210 0.196 0.618 59 Y N 2.341 122.627 120.300 -0.023 0.000 2.550 59 Y HA -0.144 4.418 4.550 0.019 0.000 0.343 59 Y C -1.600 174.274 175.900 -0.044 0.000 1.245 59 Y CA 1.387 59.480 58.100 -0.012 0.000 1.462 59 Y CB 1.281 39.722 38.460 -0.032 0.000 1.340 59 Y HN -0.467 7.718 8.280 0.143 0.180 0.604 60 K N 3.817 123.304 120.400 -1.521 0.000 3.040 60 K HA 0.116 3.876 4.320 -0.933 0.000 0.300 60 K C -2.626 173.423 176.600 -0.920 0.000 1.092 60 K CA -0.849 54.802 56.287 -1.059 0.000 0.831 60 K CB 1.633 33.766 32.500 -0.612 0.000 1.469 60 K HN -0.005 7.074 8.250 -1.952 0.000 0.365 61 S N -0.393 115.013 115.700 -0.489 0.000 2.713 61 S HA 0.122 4.441 4.470 -0.252 0.000 0.283 61 S C 0.734 175.210 174.600 -0.207 0.000 1.161 61 S CA -0.390 57.656 58.200 -0.257 0.000 0.999 61 S CB 1.293 64.433 63.200 -0.100 0.000 1.039 61 S HN -0.173 7.914 8.310 -0.372 0.000 0.548 62 G N -0.040 108.681 108.800 -0.133 0.000 2.324 62 G HA2 -0.253 3.658 3.960 -0.081 0.000 0.292 62 G HA3 -0.253 3.640 3.960 -0.111 0.000 0.292 62 G C -1.762 173.068 174.900 -0.116 0.000 1.079 62 G CA 0.219 45.253 45.100 -0.110 0.000 1.026 62 G HN 0.295 8.524 8.290 -0.102 0.000 0.506 63 I N -1.465 119.049 120.570 -0.095 0.000 2.437 63 I HA 0.185 4.465 4.170 -0.021 -0.122 0.298 63 I C -1.770 174.308 176.117 -0.065 0.000 0.984 63 I CA -1.165 60.105 61.300 -0.050 0.000 1.214 63 I CB 1.712 39.703 38.000 -0.014 0.000 1.365 63 I HN -0.524 7.631 8.210 -0.092 0.000 0.469 64 Q N 5.824 125.572 119.800 -0.087 0.000 3.226 64 Q HA 0.659 5.055 4.340 -0.077 -0.102 0.276 64 Q C -1.763 174.154 176.000 -0.138 0.000 1.029 64 Q CA -2.049 53.688 55.803 -0.111 0.000 0.854 64 Q CB 4.496 33.136 28.738 -0.163 0.000 1.567 64 Q HN 0.604 8.822 8.270 -0.086 0.000 0.481 65 R N -2.276 118.179 120.500 -0.075 0.000 3.008 65 R HA 0.389 5.015 4.340 0.202 -0.165 0.284 65 R C -1.526 174.821 176.300 0.077 0.000 1.187 65 R CA 0.103 56.212 56.100 0.014 0.000 1.139 65 R CB 2.240 32.408 30.300 -0.220 0.000 1.273 65 R HN 0.634 8.838 8.270 -0.110 0.000 0.410 70 E N -0.832 119.462 120.200 0.158 0.000 2.318 70 E HA 0.102 4.528 4.350 0.126 0.000 0.265 70 E C -1.517 175.266 176.600 0.305 0.000 1.069 70 E CA 0.478 56.984 56.400 0.177 0.000 0.893 70 E CB 1.545 31.274 29.700 0.049 0.000 1.076 70 E HN -0.604 7.825 8.360 0.178 0.038 0.414 71 D N 0.790 121.353 120.400 0.271 0.000 2.900 71 D HA 0.060 4.938 4.640 0.396 0.000 0.175 71 D C -1.220 175.286 176.300 0.344 0.000 1.476 71 D CA 1.507 55.690 54.000 0.304 0.000 1.488 71 D CB 2.414 43.300 40.800 0.143 0.000 1.426 71 D HN 0.205 8.677 8.370 0.171 0.000 0.295 72 N N 0.940 119.743 118.700 0.172 0.000 2.420 72 N HA 0.286 5.257 4.740 0.174 -0.126 0.249 72 N C 1.926 177.435 175.510 -0.001 0.000 1.033 72 N CA -1.163 51.955 53.050 0.114 0.000 0.944 72 N CB 0.579 39.110 38.487 0.073 0.000 1.113 72 N HN -0.633 7.823 8.380 0.126 0.000 0.502 73 I N 0.097 120.577 120.570 -0.150 0.000 3.176 73 I HA -0.062 4.099 4.170 -0.299 -0.170 0.275 73 I C -0.430 175.598 176.117 -0.148 0.000 1.298 73 I CA 1.414 62.529 61.300 -0.309 0.000 1.445 73 I CB -0.738 36.864 38.000 -0.664 0.000 1.075 73 I HN 0.710 8.844 8.210 -0.126 0.000 0.482 74 N N -1.982 116.679 118.700 -0.065 0.000 2.236 74 N HA 0.143 4.861 4.740 -0.036 0.000 0.196 74 N C -0.870 174.643 175.510 0.005 0.000 1.114 74 N CA 0.263 53.298 53.050 -0.025 0.000 0.859 74 N CB 1.740 40.223 38.487 -0.007 0.000 0.982 74 N HN -0.138 8.500 8.380 -0.043 -0.283 0.493 75 V N 0.433 120.356 119.914 0.015 0.000 2.709 75 V HA 0.120 4.257 4.120 0.028 0.000 0.308 75 V C -1.156 174.961 176.094 0.039 0.000 1.062 75 V CA -1.017 61.300 62.300 0.028 0.000 0.901 75 V CB 3.521 35.359 31.823 0.025 0.000 1.003 75 V HN -0.710 7.514 8.190 0.007 -0.029 0.425 76 V N 6.915 126.852 119.914 0.039 0.000 2.498 76 V HA -0.058 4.267 4.120 0.043 -0.180 0.279 76 V C -0.371 175.727 176.094 0.007 0.000 1.048 76 V CA 0.188 62.502 62.300 0.024 0.000 0.967 76 V CB 0.578 32.398 31.823 -0.006 0.000 0.988 76 V HN 0.334 8.545 8.190 0.034 0.000 0.473 77 E N 6.508 126.710 120.200 0.003 0.000 2.639 77 E HA 0.164 4.515 4.350 0.002 0.000 0.225 77 E C -0.612 175.983 176.600 -0.008 0.000 0.921 77 E CA -0.572 55.830 56.400 0.004 0.000 1.184 77 E CB 1.378 31.089 29.700 0.018 0.000 1.160 77 E HN 0.351 9.223 8.360 0.001 -0.512 0.547 78 G N 0.220 109.006 108.800 -0.023 0.000 2.525 78 G HA2 -0.218 3.708 3.960 -0.056 0.000 0.685 78 G HA3 -0.218 3.728 3.960 -0.024 0.000 0.685 78 G C -1.719 173.165 174.900 -0.026 0.000 1.285 78 G CA -0.635 44.445 45.100 -0.034 0.000 0.849 78 G HN -0.452 8.236 8.290 -0.030 -0.415 0.653 79 N N -3.857 114.820 118.700 -0.038 0.000 2.980 79 N HA -0.284 4.441 4.740 -0.025 0.000 0.213 79 N C -1.057 174.435 175.510 -0.030 0.000 0.892 79 N CA 1.296 54.332 53.050 -0.023 0.000 1.025 79 N CB -0.229 38.260 38.487 0.002 0.000 1.030 79 N HN 0.159 8.508 8.380 -0.051 0.000 0.585 80 E N -1.208 118.951 120.200 -0.069 0.000 2.366 80 E HA 0.132 4.695 4.350 0.011 -0.206 0.266 80 E C -0.133 176.359 176.600 -0.179 0.000 1.051 80 E CA 0.557 56.904 56.400 -0.089 0.000 0.884 80 E CB 0.540 30.142 29.700 -0.163 0.000 1.006 80 E HN -0.241 7.974 8.360 -0.084 0.094 0.417 81 Q N 1.712 121.472 119.800 -0.066 0.000 2.274 81 Q HA 0.286 4.530 4.340 -0.160 0.000 0.268 81 Q C -1.578 174.522 176.000 0.167 0.000 1.015 81 Q CA -1.137 54.637 55.803 -0.048 0.000 0.775 81 Q CB 3.021 31.764 28.738 0.008 0.000 1.256 81 Q HN 0.373 8.683 8.270 0.066 0.000 0.442 82 F N 4.025 123.956 119.950 -0.032 0.000 2.426 82 F HA 0.657 5.378 4.527 -0.047 -0.221 0.348 82 F C -0.136 175.640 175.800 -0.039 0.000 1.124 82 F CA -3.372 54.603 58.000 -0.041 0.000 1.008 82 F CB 1.253 40.227 39.000 -0.043 0.000 1.139 82 F HN 0.415 8.694 8.300 -0.035 0.000 0.452 83 I N 3.525 124.178 120.570 0.138 0.000 2.647 83 I HA 0.249 4.450 4.170 0.051 0.000 0.295 83 I C -1.831 174.290 176.117 0.007 0.000 1.078 83 I CA -1.449 59.881 61.300 0.050 0.000 1.048 83 I CB 3.652 41.664 38.000 0.021 0.000 1.239 83 I HN 0.731 9.010 8.210 0.116 0.000 0.421 84 S N 3.644 119.337 115.700 -0.011 0.000 2.610 84 S HA 0.204 4.766 4.470 -0.040 -0.116 0.273 84 S C -0.403 174.164 174.600 -0.054 0.000 1.274 84 S CA 0.387 58.566 58.200 -0.034 0.000 1.023 84 S CB 1.519 64.700 63.200 -0.031 0.000 0.962 84 S HN 0.328 8.634 8.310 -0.006 0.000 0.523 85 A N 2.712 125.496 122.820 -0.060 0.000 2.363 85 A HA 0.204 4.581 4.320 -0.098 -0.116 0.270 85 A C -0.507 177.030 177.584 -0.079 0.000 1.121 85 A CA -0.360 51.632 52.037 -0.076 0.000 0.800 85 A CB 0.614 19.580 19.000 -0.055 0.000 1.052 85 A HN -0.262 7.855 8.150 -0.055 0.000 0.493 86 S N 3.554 119.184 115.700 -0.116 0.000 2.356 86 S HA -0.011 4.415 4.470 -0.073 0.000 0.219 86 S C 0.397 174.958 174.600 -0.066 0.000 1.036 86 S CA 1.409 59.548 58.200 -0.101 0.000 0.965 86 S CB 0.700 63.810 63.200 -0.151 0.000 0.864 86 S HN 0.655 8.745 8.310 -0.166 0.121 0.471 87 K N -0.703 119.652 120.400 -0.076 0.000 2.509 87 K HA 0.321 4.661 4.320 0.035 0.000 0.266 87 K C -2.065 174.563 176.600 0.047 0.000 0.987 87 K CA -0.902 55.389 56.287 0.006 0.000 0.868 87 K CB 3.128 35.642 32.500 0.025 0.000 1.421 87 K HN -0.713 7.450 8.250 -0.144 0.000 0.444 88 S N 0.469 116.252 115.700 0.138 0.000 2.557 88 S HA 0.709 5.448 4.470 0.178 -0.162 0.291 88 S C -0.825 173.897 174.600 0.203 0.000 1.116 88 S CA -0.445 57.879 58.200 0.207 0.000 0.992 88 S CB 2.291 65.698 63.200 0.346 0.000 1.028 88 S HN 0.165 8.565 8.310 0.151 0.000 0.484 89 I N 7.712 128.416 120.570 0.222 0.000 2.405 89 I HA 0.104 4.363 4.170 0.148 0.000 0.280 89 I C -1.503 174.752 176.117 0.231 0.000 1.027 89 I CA -0.813 60.612 61.300 0.209 0.000 1.161 89 I CB 1.232 39.374 38.000 0.236 0.000 1.300 89 I HN 1.046 9.299 8.210 0.256 0.110 0.463 90 V N 7.742 127.722 119.914 0.109 0.000 2.649 90 V HA -0.127 4.034 4.120 0.069 0.000 0.292 90 V C -0.198 175.965 176.094 0.115 0.000 1.055 90 V CA -0.708 61.623 62.300 0.051 0.000 1.023 90 V CB 0.986 32.745 31.823 -0.108 0.000 0.992 90 V HN 0.346 8.555 8.190 0.032 0.000 0.480 91 H N 8.357 127.406 119.070 -0.035 0.000 3.034 91 H HA -0.050 4.320 4.556 -0.310 0.000 0.324 91 H C 0.049 175.345 175.328 -0.053 0.000 1.015 91 H CA 0.499 56.406 56.048 -0.235 0.000 1.429 91 H CB 1.121 30.603 29.762 -0.467 0.000 1.429 91 H HN -0.280 8.039 8.280 0.064 0.000 0.585 92 P HA -0.077 4.334 4.420 -0.016 0.000 0.220 92 P C -0.492 176.831 177.300 0.037 0.000 1.148 92 P CA 1.350 64.391 63.100 -0.097 0.000 0.803 92 P CB 0.381 32.008 31.700 -0.121 0.000 0.782 93 S N -3.430 112.387 115.700 0.195 0.000 2.583 93 S HA 0.026 4.551 4.470 0.091 0.000 0.239 93 S C -0.631 174.083 174.600 0.191 0.000 0.966 93 S CA -0.028 58.291 58.200 0.197 0.000 0.973 93 S CB 0.349 63.668 63.200 0.197 0.000 0.794 93 S HN -0.418 8.031 8.310 0.281 0.030 0.463 94 Y N 3.744 124.108 120.300 0.108 0.000 2.526 94 Y HA -0.288 4.446 4.550 -0.013 -0.192 0.330 94 Y C -0.912 174.987 175.900 -0.003 0.000 1.156 94 Y CA 0.761 58.875 58.100 0.023 0.000 1.419 94 Y CB 0.804 39.277 38.460 0.021 0.000 1.250 94 Y HN -0.781 7.519 8.280 0.340 0.184 0.540 95 N N 7.399 125.733 118.700 -0.609 0.000 2.479 95 N HA 0.218 4.680 4.740 -0.463 0.000 0.261 95 N C -0.147 174.851 175.510 -0.853 0.000 0.979 95 N CA -1.302 51.407 53.050 -0.568 0.000 0.930 95 N CB 1.616 39.934 38.487 -0.282 0.000 1.172 95 N HN -0.247 7.883 8.380 -0.416 0.000 0.499 96 S N 6.664 121.859 115.700 -0.841 0.000 2.507 96 S HA -0.137 3.945 4.470 -0.646 0.000 0.235 96 S C 0.741 175.154 174.600 -0.312 0.000 0.988 96 S CA 2.290 60.160 58.200 -0.550 0.000 0.944 96 S CB -0.197 62.858 63.200 -0.242 0.000 0.762 96 S HN 0.630 8.541 8.310 -0.666 0.000 0.526 97 N N 1.948 120.472 118.700 -0.293 0.000 2.336 97 N HA 0.014 4.630 4.740 -0.208 0.000 0.177 97 N C 1.130 176.475 175.510 -0.275 0.000 1.018 97 N CA 2.365 55.276 53.050 -0.232 0.000 0.878 97 N CB 0.569 38.950 38.487 -0.177 0.000 0.997 97 N HN 0.388 8.829 8.380 -0.319 -0.253 0.433 98 T N -4.019 110.368 114.554 -0.278 0.000 3.014 98 T HA 0.044 4.190 4.350 -0.341 0.000 0.250 98 T C 0.218 174.716 174.700 -0.337 0.000 1.060 98 T CA 0.494 62.418 62.100 -0.293 0.000 1.040 98 T CB 1.651 70.405 68.868 -0.191 0.000 0.971 98 T HN -0.455 7.879 8.240 -0.273 -0.259 0.497 99 L N -3.464 117.596 121.223 -0.272 0.000 4.089 99 L HA -0.498 3.923 4.340 -0.005 -0.083 0.408 99 L C -1.842 175.047 176.870 0.031 0.000 1.184 99 L CA 0.333 55.113 54.840 -0.099 0.000 0.947 99 L CB -2.663 39.282 42.059 -0.189 0.000 2.066 99 L HN -0.130 7.870 8.230 -0.305 0.047 0.851 100 N N -0.988 117.693 118.700 -0.032 0.000 2.530 100 N HA -0.145 4.644 4.740 0.082 0.000 0.273 100 N C 0.128 175.687 175.510 0.081 0.000 1.173 100 N CA 0.559 53.630 53.050 0.035 0.000 0.967 100 N CB 1.297 39.778 38.487 -0.009 0.000 1.109 100 N HN -0.699 7.571 8.380 -0.126 0.035 0.453 101 N N -1.078 117.667 118.700 0.075 0.000 2.758 101 N HA -0.475 4.202 4.740 -0.106 0.000 0.248 101 N C -1.452 174.034 175.510 -0.041 0.000 1.076 101 N CA 1.387 54.389 53.050 -0.079 0.000 0.696 101 N CB -1.518 36.835 38.487 -0.224 0.000 0.979 101 N HN 0.580 9.028 8.380 0.114 0.000 0.550 102 D N -1.117 119.303 120.400 0.034 0.000 2.608 102 D HA 0.020 4.692 4.640 0.052 0.000 0.224 102 D C -1.654 174.558 176.300 -0.147 0.000 1.123 102 D CA -0.221 53.803 54.000 0.040 0.000 1.030 102 D CB -0.756 40.163 40.800 0.198 0.000 1.093 102 D HN -0.112 8.293 8.370 0.058 0.000 0.497 103 I N 1.881 122.298 120.570 -0.255 0.000 2.894 103 I HA 0.586 4.827 4.170 -0.130 -0.149 0.302 103 I C -3.047 173.030 176.117 -0.067 0.000 1.188 103 I CA -1.640 59.537 61.300 -0.205 0.000 1.014 103 I CB 4.235 41.969 38.000 -0.442 0.000 1.242 103 I HN 0.018 8.033 8.210 -0.259 0.040 0.430 104 M N 5.740 125.370 119.600 0.051 0.000 2.470 104 M HA 0.704 5.492 4.480 0.222 -0.174 0.285 104 M C -2.803 173.626 176.300 0.215 0.000 1.213 104 M CA -0.973 54.417 55.300 0.149 0.000 0.901 104 M CB 4.777 37.420 32.600 0.072 0.000 1.718 104 M HN 0.349 8.666 8.290 0.045 0.000 0.469 105 L N 2.592 123.981 121.223 0.276 0.000 2.334 105 L HA 0.890 5.557 4.340 0.265 -0.169 0.273 105 L C -1.278 175.786 176.870 0.324 0.000 1.013 105 L CA -1.611 53.410 54.840 0.303 0.000 0.816 105 L CB 3.546 45.770 42.059 0.275 0.000 1.278 105 L HN 0.490 8.795 8.230 0.306 0.109 0.431 106 I N 0.009 120.758 120.570 0.299 0.000 2.466 106 I HA 0.537 4.936 4.170 0.104 -0.167 0.289 106 I C -1.618 174.452 176.117 -0.079 0.000 1.026 106 I CA -1.376 59.992 61.300 0.113 0.000 1.078 106 I CB 3.209 41.245 38.000 0.060 0.000 1.249 106 I HN 0.702 9.115 8.210 0.338 0.000 0.429 107 K N 6.121 126.271 120.400 -0.417 0.000 2.110 107 K HA 0.701 4.311 4.320 -1.446 -0.157 0.263 107 K C -1.126 175.182 176.600 -0.487 0.000 0.975 107 K CA -1.857 53.813 56.287 -1.029 0.000 0.895 107 K CB 3.129 34.879 32.500 -1.250 0.000 1.060 107 K HN 0.368 8.465 8.250 -0.254 0.000 0.448 108 L N 2.812 123.770 121.223 -0.441 0.000 2.360 108 L HA 0.315 4.654 4.340 -0.172 -0.102 0.271 108 L C 1.542 178.294 176.870 -0.197 0.000 1.057 108 L CA -0.644 54.061 54.840 -0.225 0.000 0.803 108 L CB 1.002 42.972 42.059 -0.149 0.000 1.207 108 L HN 0.714 8.497 8.230 -0.593 0.091 0.445 109 K N 2.197 122.523 120.400 -0.123 0.000 2.148 109 K HA -0.304 3.952 4.320 -0.108 0.000 0.204 109 K C -0.680 175.872 176.600 -0.080 0.000 1.050 109 K CA 2.475 58.706 56.287 -0.094 0.000 0.942 109 K CB 0.448 32.912 32.500 -0.060 0.000 0.724 109 K HN 0.642 8.833 8.250 -0.100 0.000 0.446 110 S N -4.216 111.442 115.700 -0.070 0.000 2.588 110 S HA 0.147 4.585 4.470 -0.053 0.000 0.275 110 S C -1.654 172.916 174.600 -0.050 0.000 1.130 110 S CA -1.036 57.134 58.200 -0.051 0.000 0.855 110 S CB 2.718 65.899 63.200 -0.030 0.000 1.116 110 S HN -0.587 7.677 8.310 -0.068 0.006 0.472 111 A N 0.031 122.830 122.820 -0.035 0.000 2.386 111 A HA 0.076 4.535 4.320 -0.031 -0.158 0.248 111 A C -0.119 177.461 177.584 -0.007 0.000 1.082 111 A CA -0.213 51.812 52.037 -0.019 0.000 0.789 111 A CB 0.453 19.452 19.000 -0.003 0.000 1.025 111 A HN 0.217 8.350 8.150 -0.029 0.000 0.490 112 A N 0.896 123.719 122.820 0.005 0.000 2.271 112 A HA 0.217 4.608 4.320 0.009 -0.065 0.288 112 A C -0.639 176.955 177.584 0.017 0.000 1.094 112 A CA -1.329 50.716 52.037 0.014 0.000 0.828 112 A CB 1.596 20.614 19.000 0.029 0.000 1.091 112 A HN 0.249 8.296 8.150 0.009 0.109 0.493 113 S N -0.264 115.444 115.700 0.014 0.000 2.422 113 S HA 0.143 4.622 4.470 0.015 0.000 0.298 113 S C -0.594 174.019 174.600 0.022 0.000 1.118 113 S CA -0.670 57.538 58.200 0.013 0.000 1.083 113 S CB 0.682 63.885 63.200 0.004 0.000 0.971 113 S HN -0.071 8.566 8.310 0.011 -0.320 0.478 114 L N 5.832 127.071 121.223 0.027 0.000 2.375 114 L HA 0.279 4.778 4.340 0.039 -0.135 0.271 114 L C -0.436 176.451 176.870 0.028 0.000 1.107 114 L CA -0.276 54.585 54.840 0.035 0.000 0.806 114 L CB 0.716 42.800 42.059 0.042 0.000 1.146 114 L HN 0.225 8.471 8.230 0.026 0.000 0.447 115 N N 2.595 121.313 118.700 0.031 0.000 3.622 115 N HA 0.135 4.889 4.740 0.024 0.000 0.352 115 N C -1.385 174.143 175.510 0.030 0.000 1.559 115 N CA -0.559 52.506 53.050 0.025 0.000 0.801 115 N CB 1.119 39.617 38.487 0.018 0.000 2.399 115 N HN 0.613 9.016 8.380 0.038 0.000 0.545 116 S N -2.705 113.010 115.700 0.025 0.000 2.470 116 S HA -0.107 4.383 4.470 0.034 0.000 0.225 116 S C 0.560 175.176 174.600 0.027 0.000 1.006 116 S CA 2.170 60.387 58.200 0.028 0.000 0.934 116 S CB 0.168 63.380 63.200 0.022 0.000 0.778 116 S HN 0.007 8.329 8.310 0.020 0.000 0.517 117 R N -1.115 119.400 120.500 0.023 0.000 2.254 117 R HA 0.180 4.530 4.340 0.015 0.000 0.195 117 R C -1.302 175.014 176.300 0.027 0.000 0.957 117 R CA -0.142 55.970 56.100 0.020 0.000 1.024 117 R CB 1.216 31.527 30.300 0.017 0.000 0.952 117 R HN 0.012 8.617 8.270 0.022 -0.321 0.484 118 V N -1.458 118.477 119.914 0.036 0.000 2.447 118 V HA 0.337 4.696 4.120 0.051 -0.209 0.292 118 V C -2.208 173.924 176.094 0.063 0.000 1.021 118 V CA -0.991 61.339 62.300 0.050 0.000 0.850 118 V CB 2.860 34.710 31.823 0.045 0.000 1.005 118 V HN -0.728 7.628 8.190 0.035 -0.146 0.426 119 A N 6.361 129.234 122.820 0.090 0.000 2.587 119 A HA 0.600 4.970 4.320 0.082 0.000 0.293 119 A C -3.058 174.613 177.584 0.145 0.000 1.087 119 A CA -1.298 50.800 52.037 0.103 0.000 0.692 119 A CB 2.883 21.943 19.000 0.101 0.000 1.291 119 A HN 0.260 8.347 8.150 0.100 0.123 0.407 120 S N -1.656 114.116 115.700 0.120 0.000 2.669 120 S HA 0.591 5.309 4.470 0.156 -0.155 0.270 120 S C -0.608 174.047 174.600 0.092 0.000 1.225 120 S CA -0.678 57.594 58.200 0.120 0.000 0.991 120 S CB 1.493 64.744 63.200 0.086 0.000 0.987 120 S HN 0.000 8.366 8.310 0.093 0.000 0.552 121 I N 0.089 120.670 120.570 0.019 0.000 2.693 121 I HA 0.250 4.360 4.170 -0.101 0.000 0.303 121 I C -1.268 174.803 176.117 -0.077 0.000 1.025 121 I CA -1.585 59.636 61.300 -0.132 0.000 1.086 121 I CB 4.177 41.895 38.000 -0.469 0.000 1.268 121 I HN -0.113 8.119 8.210 0.037 0.000 0.440 122 S N 5.003 120.655 115.700 -0.081 0.000 2.632 122 S HA 0.271 4.726 4.470 -0.025 0.000 0.271 122 S C -0.753 173.820 174.600 -0.045 0.000 1.260 122 S CA -0.464 57.709 58.200 -0.045 0.000 1.010 122 S CB 0.975 64.154 63.200 -0.036 0.000 0.965 122 S HN 0.207 8.454 8.310 -0.105 0.000 0.534 123 L N 1.694 122.905 121.223 -0.020 0.000 2.399 123 L HA 0.238 4.578 4.340 -0.001 0.000 0.265 123 L C -1.224 175.643 176.870 -0.005 0.000 1.089 123 L CA -2.194 52.645 54.840 -0.002 0.000 0.802 123 L CB 0.429 42.496 42.059 0.013 0.000 1.180 123 L HN 0.181 8.402 8.230 -0.015 0.000 0.454 124 P HA 0.138 4.548 4.420 -0.017 0.000 0.278 124 P C -1.331 175.969 177.300 -0.001 0.000 1.266 124 P CA -0.748 62.348 63.100 -0.006 0.000 0.807 124 P CB 0.917 32.613 31.700 -0.007 0.000 1.094 128 c N 0.148 118.721 118.600 -0.045 0.000 2.470 128 c HA 0.103 4.636 4.570 -0.062 0.000 0.350 128 c C -0.136 173.892 174.090 -0.104 0.000 1.341 128 c CA -0.677 55.610 56.329 -0.070 0.000 2.440 128 c CB 0.572 43.046 42.510 -0.059 0.000 2.295 128 c HN -0.033 8.173 8.230 -0.040 0.000 0.645 129 A N -0.271 122.447 122.820 -0.170 0.000 2.269 129 A HA 0.128 4.372 4.320 -0.127 0.000 0.327 129 A C -1.270 176.206 177.584 -0.179 0.000 1.112 129 A CA -0.593 51.337 52.037 -0.179 0.000 0.865 129 A CB 1.761 20.614 19.000 -0.245 0.000 1.227 129 A HN 0.202 8.218 8.150 -0.224 0.000 0.498 133 G N -0.401 108.362 108.800 -0.062 0.000 2.253 133 G HA2 -0.354 3.576 3.960 -0.049 0.000 0.251 133 G HA3 -0.354 3.580 3.960 -0.042 0.000 0.251 133 G C -0.185 174.679 174.900 -0.059 0.000 0.998 133 G CA 0.341 45.410 45.100 -0.052 0.000 0.621 133 G HN 0.739 8.890 8.290 -0.063 0.101 0.524 134 T N 3.525 118.031 114.554 -0.079 0.000 2.916 134 T HA -0.156 4.158 4.350 -0.059 0.000 0.303 134 T C -1.028 173.629 174.700 -0.071 0.000 1.025 134 T CA 2.308 64.361 62.100 -0.078 0.000 1.142 134 T CB 0.801 69.604 68.868 -0.109 0.000 0.947 134 T HN -0.605 7.486 8.240 -0.094 0.093 0.544 135 Q N 5.407 125.180 119.800 -0.046 0.000 2.256 135 Q HA 0.171 4.594 4.340 -0.038 -0.105 0.254 135 Q C -0.974 175.010 176.000 -0.026 0.000 0.916 135 Q CA 0.190 55.976 55.803 -0.027 0.000 0.932 135 Q CB 1.413 30.151 28.738 0.000 0.000 1.207 135 Q HN 0.214 8.461 8.270 -0.039 0.000 0.426 136 c N 3.321 121.907 118.600 -0.024 0.000 2.848 136 c HA 0.547 5.209 4.570 -0.015 -0.101 0.317 136 c C -1.833 172.263 174.090 0.010 0.000 1.260 136 c CA -1.459 54.858 56.329 -0.020 0.000 1.656 136 c CB 4.170 46.649 42.510 -0.051 0.000 2.174 136 c HN 0.958 9.055 8.230 -0.026 0.117 0.479 137 L N 1.167 122.404 121.223 0.023 0.000 2.287 137 L HA 0.861 5.408 4.340 0.051 -0.176 0.287 137 L C -2.176 174.708 176.870 0.023 0.000 1.022 137 L CA -1.301 53.565 54.840 0.044 0.000 0.814 137 L CB 2.899 45.007 42.059 0.080 0.000 1.217 137 L HN 0.844 8.975 8.230 0.018 0.111 0.420 138 I N 7.492 128.060 120.570 -0.004 0.000 2.474 138 I HA 0.823 5.214 4.170 0.007 -0.217 0.294 138 I C -1.303 174.779 176.117 -0.059 0.000 1.005 138 I CA -1.485 59.806 61.300 -0.013 0.000 1.113 138 I CB 2.445 40.438 38.000 -0.010 0.000 1.289 138 I HN 1.122 9.222 8.210 -0.002 0.109 0.436 139 S N 2.803 118.461 115.700 -0.071 0.000 2.627 139 S HA 1.038 5.525 4.470 -0.228 -0.153 0.283 139 S C -1.102 173.377 174.600 -0.201 0.000 1.127 139 S CA -1.886 56.197 58.200 -0.194 0.000 0.863 139 S CB 3.758 66.805 63.200 -0.255 0.000 1.121 139 S HN -0.197 8.102 8.310 -0.017 0.000 0.479 140 G N -1.499 107.084 108.800 -0.361 0.000 2.339 140 G HA2 0.096 3.787 3.960 -0.449 0.000 0.302 140 G HA3 0.096 4.160 3.960 -0.073 -0.147 0.302 140 G C -2.070 172.612 174.900 -0.363 0.000 1.425 140 G CA 0.430 45.338 45.100 -0.321 0.000 0.899 140 G HN 0.346 8.363 8.290 -0.456 0.000 0.619 141 W N 1.583 122.844 121.300 -0.066 0.000 3.086 141 W HA 0.325 4.941 4.660 -0.073 0.000 0.436 141 W C -0.348 176.221 176.519 0.082 0.000 0.939 141 W CA -0.905 56.373 57.345 -0.112 0.000 2.108 141 W CB -0.292 28.896 29.460 -0.453 0.000 1.093 141 W HN 0.594 8.924 8.180 0.251 0.000 0.783 142 G N 0.578 109.548 108.800 0.283 0.000 2.580 142 G HA2 -0.002 4.337 3.960 0.595 0.000 0.278 142 G HA3 -0.002 4.360 3.960 0.280 -0.234 0.278 142 G C -0.927 174.076 174.900 0.173 0.000 1.212 142 G CA -1.054 44.260 45.100 0.358 0.000 0.939 142 G HN -0.558 7.926 8.290 0.155 -0.101 0.513 143 N N -0.284 118.398 118.700 -0.029 0.000 2.292 143 N HA -0.336 4.038 4.740 -0.892 -0.169 0.242 143 N C 0.846 176.243 175.510 -0.187 0.000 1.243 143 N CA 1.216 53.976 53.050 -0.485 0.000 0.851 143 N CB 0.706 38.892 38.487 -0.502 0.000 1.093 143 N HN 0.205 8.712 8.380 0.211 0.000 0.450 144 T N -0.386 114.057 114.554 -0.185 0.000 3.085 144 T HA 0.193 4.620 4.350 -0.060 -0.113 0.264 144 T C -0.523 174.134 174.700 -0.072 0.000 1.019 144 T CA 0.058 62.106 62.100 -0.087 0.000 0.910 144 T CB 1.481 70.314 68.868 -0.058 0.000 1.059 144 T HN 0.308 8.391 8.240 -0.263 0.000 0.542 145 K N 1.525 121.867 120.400 -0.097 0.000 2.318 145 K HA 0.327 4.622 4.320 -0.040 0.000 0.249 145 K C -0.431 176.142 176.600 -0.046 0.000 0.942 145 K CA -0.896 55.354 56.287 -0.061 0.000 0.808 145 K CB 3.088 35.550 32.500 -0.064 0.000 1.189 145 K HN -0.644 7.715 8.250 -0.153 -0.201 0.428 146 S N 0.098 115.786 115.700 -0.019 0.000 2.503 146 S HA -0.040 4.432 4.470 0.003 0.000 0.215 146 S C 0.056 174.658 174.600 0.005 0.000 1.003 146 S CA 0.578 58.779 58.200 0.000 0.000 0.910 146 S CB 1.042 64.249 63.200 0.011 0.000 0.790 146 S HN 0.207 8.508 8.310 -0.016 0.000 0.514 147 S N 0.985 116.683 115.700 -0.003 0.000 2.399 147 S HA 0.191 4.667 4.470 0.011 0.000 0.215 147 S C -0.855 173.744 174.600 -0.002 0.000 1.456 147 S CA -0.150 58.052 58.200 0.003 0.000 1.199 147 S CB 0.135 63.338 63.200 0.006 0.000 1.063 147 S HN -0.460 7.795 8.310 -0.011 0.049 0.476 148 G N 1.383 110.183 108.800 0.000 0.000 2.515 148 G HA2 -0.218 3.753 3.960 0.019 0.000 0.686 148 G HA3 -0.218 3.742 3.960 0.000 0.000 0.686 148 G C -2.456 172.429 174.900 -0.025 0.000 1.274 148 G CA -0.902 44.200 45.100 0.002 0.000 0.874 148 G HN -0.288 8.006 8.290 0.006 0.000 0.631 149 T N -3.029 111.523 114.554 -0.004 0.000 2.799 149 T HA 0.033 4.373 4.350 -0.200 -0.110 0.286 149 T C -1.093 173.554 174.700 -0.088 0.000 0.973 149 T CA -1.325 60.741 62.100 -0.057 0.000 1.035 149 T CB 1.204 70.179 68.868 0.178 0.000 0.932 149 T HN -0.146 8.112 8.240 0.031 0.000 0.469 150 S N 4.029 119.559 115.700 -0.284 0.000 2.423 150 S HA 0.154 4.621 4.470 -0.005 0.000 0.213 150 S C -2.019 172.427 174.600 -0.258 0.000 1.131 150 S CA -0.114 58.003 58.200 -0.139 0.000 1.155 150 S CB 0.617 63.763 63.200 -0.090 0.000 1.202 150 S HN 0.400 8.670 8.310 -0.578 -0.307 0.441 151 Y N 4.996 125.337 120.300 0.068 0.000 2.334 151 Y HA 0.214 4.819 4.550 0.093 0.000 0.328 151 Y C -0.774 175.173 175.900 0.079 0.000 1.130 151 Y CA -2.413 55.740 58.100 0.088 0.000 1.163 151 Y CB 0.746 39.271 38.460 0.109 0.000 1.207 151 Y HN -0.001 8.436 8.280 0.262 0.000 0.471 152 P HA 0.409 4.906 4.420 0.128 0.000 0.284 152 P C -1.670 175.753 177.300 0.205 0.000 1.287 152 P CA -0.979 62.221 63.100 0.167 0.000 0.824 152 P CB 2.266 34.038 31.700 0.120 0.000 1.180 153 D N -2.486 118.014 120.400 0.166 0.000 2.323 153 D HA -0.067 4.634 4.640 0.101 0.000 0.218 153 D C -1.304 175.146 176.300 0.250 0.000 0.973 153 D CA 1.324 55.410 54.000 0.144 0.000 0.890 153 D CB 0.779 41.633 40.800 0.090 0.000 1.011 153 D HN 0.396 8.847 8.370 0.134 0.000 0.499 154 V N -6.547 113.511 119.914 0.240 0.000 2.850 154 V HA 0.761 5.403 4.120 0.398 -0.283 0.315 154 V C -0.468 175.673 176.094 0.079 0.000 1.064 154 V CA -2.492 59.958 62.300 0.249 0.000 0.979 154 V CB 2.098 33.987 31.823 0.110 0.000 1.039 154 V HN -0.964 7.324 8.190 0.164 0.000 0.452 155 L N 3.028 124.168 121.223 -0.139 0.000 2.513 155 L HA -0.074 3.436 4.340 -1.382 0.000 0.272 155 L C -0.696 175.916 176.870 -0.430 0.000 1.187 155 L CA 0.915 55.316 54.840 -0.731 0.000 0.895 155 L CB 0.304 41.934 42.059 -0.715 0.000 1.147 155 L HN -0.012 8.423 8.230 0.099 -0.145 0.483 156 K N 5.801 125.926 120.400 -0.458 0.000 2.208 156 K HA 0.629 4.900 4.320 -0.324 -0.145 0.247 156 K C -1.217 175.127 176.600 -0.427 0.000 0.953 156 K CA -2.572 53.504 56.287 -0.352 0.000 0.837 156 K CB 2.723 35.080 32.500 -0.239 0.000 1.131 156 K HN -0.159 7.745 8.250 -0.576 0.000 0.431 157 c N -0.940 117.305 118.600 -0.593 0.000 2.707 157 c HA 0.979 5.492 4.570 -0.403 -0.184 0.313 157 c C -1.745 171.958 174.090 -0.645 0.000 1.209 157 c CA -0.683 55.244 56.329 -0.670 0.000 1.635 157 c CB 3.406 45.396 42.510 -0.866 0.000 2.206 157 c HN 0.680 8.489 8.230 -0.701 0.000 0.485 158 L N 0.586 121.653 121.223 -0.260 0.000 2.482 158 L HA 0.384 4.757 4.340 0.056 0.000 0.263 158 L C -2.540 174.386 176.870 0.094 0.000 0.957 158 L CA 0.095 54.927 54.840 -0.013 0.000 0.836 158 L CB 4.548 46.626 42.059 0.032 0.000 1.324 158 L HN 0.904 9.020 8.230 -0.189 0.000 0.406 159 K N 5.637 126.159 120.400 0.203 0.000 2.213 159 K HA 0.884 5.500 4.320 0.123 -0.222 0.270 159 K C -0.977 175.753 176.600 0.216 0.000 1.002 159 K CA -1.431 54.965 56.287 0.181 0.000 0.868 159 K CB 1.069 33.687 32.500 0.197 0.000 1.093 159 K HN 0.336 8.740 8.250 0.258 0.000 0.454 160 A N 4.438 127.317 122.820 0.098 0.000 2.515 160 A HA 0.669 4.977 4.320 -0.019 0.000 0.298 160 A C -3.355 174.159 177.584 -0.117 0.000 1.059 160 A CA -2.813 49.208 52.037 -0.026 0.000 0.698 160 A CB 3.164 22.145 19.000 -0.030 0.000 1.289 160 A HN 1.038 9.109 8.150 0.048 0.108 0.404 161 P HA 0.763 5.351 4.420 -0.101 -0.229 0.284 161 P C -0.936 176.295 177.300 -0.114 0.000 1.258 161 P CA -1.365 61.644 63.100 -0.151 0.000 0.824 161 P CB 1.427 33.035 31.700 -0.153 0.000 1.038 162 I N 0.789 121.310 120.570 -0.081 0.000 2.496 162 I HA -0.033 4.315 4.170 0.086 -0.127 0.285 162 I C 0.054 176.157 176.117 -0.023 0.000 1.080 162 I CA 0.510 61.791 61.300 -0.032 0.000 1.404 162 I CB 0.212 38.105 38.000 -0.179 0.000 1.403 162 I HN 0.033 8.185 8.210 -0.097 0.000 0.539 163 L N 6.719 127.964 121.223 0.036 0.000 2.448 163 L HA 0.229 4.559 4.340 -0.017 0.000 0.258 163 L C -0.268 176.617 176.870 0.024 0.000 1.104 163 L CA -0.934 53.915 54.840 0.015 0.000 0.800 163 L CB 0.853 42.930 42.059 0.029 0.000 1.241 163 L HN 0.291 8.476 8.230 0.116 0.114 0.472 164 S N -1.537 114.171 115.700 0.014 0.000 2.603 164 S HA 0.009 4.483 4.470 0.006 0.000 0.268 164 S C 0.385 175.007 174.600 0.036 0.000 1.317 164 S CA -0.679 57.530 58.200 0.015 0.000 1.012 164 S CB 1.383 64.587 63.200 0.007 0.000 0.926 164 S HN -0.073 8.240 8.310 0.007 0.000 0.539 165 D N 1.680 122.102 120.400 0.036 0.000 2.144 165 D HA -0.225 4.459 4.640 0.073 0.000 0.199 165 D C 1.541 177.869 176.300 0.047 0.000 0.984 165 D CA 3.597 57.628 54.000 0.052 0.000 0.834 165 D CB -0.480 40.346 40.800 0.044 0.000 0.955 165 D HN 0.596 8.980 8.370 0.024 0.000 0.465 166 S N -1.529 114.189 115.700 0.031 0.000 2.383 166 S HA -0.256 4.233 4.470 0.031 0.000 0.227 166 S C 2.074 176.688 174.600 0.023 0.000 1.026 166 S CA 3.211 61.427 58.200 0.026 0.000 0.981 166 S CB -0.749 62.461 63.200 0.016 0.000 0.818 166 S HN 0.030 8.344 8.310 0.024 0.010 0.472 167 S N 3.914 119.626 115.700 0.020 0.000 2.383 167 S HA -0.221 4.249 4.470 0.001 0.000 0.227 167 S C 1.867 176.478 174.600 0.017 0.000 1.026 167 S CA 4.218 62.424 58.200 0.010 0.000 0.981 167 S CB -0.128 63.076 63.200 0.007 0.000 0.818 167 S HN -0.494 7.829 8.310 0.021 0.000 0.472 168 c N 3.543 122.173 118.600 0.049 0.000 2.436 168 c HA -0.306 4.321 4.570 0.095 0.000 0.277 168 c C 1.663 175.816 174.090 0.105 0.000 1.241 168 c CA 2.938 59.323 56.329 0.093 0.000 1.721 168 c CB -1.664 40.915 42.510 0.115 0.000 2.043 168 c HN -0.065 8.186 8.230 0.051 0.010 0.472 169 K N -1.290 119.163 120.400 0.087 0.000 2.211 169 K HA -0.328 4.071 4.320 0.132 0.000 0.203 169 K C 2.452 179.085 176.600 0.054 0.000 1.050 169 K CA 2.875 59.215 56.287 0.089 0.000 0.945 169 K CB -0.281 32.262 32.500 0.071 0.000 0.732 169 K HN 0.074 8.369 8.250 0.075 0.000 0.451 170 S N -1.324 114.387 115.700 0.020 0.000 2.406 170 S HA -0.205 4.267 4.470 0.003 0.000 0.228 170 S C 1.248 175.816 174.600 -0.053 0.000 1.020 170 S CA 2.475 60.671 58.200 -0.008 0.000 0.965 170 S CB 0.070 63.261 63.200 -0.014 0.000 0.798 170 S HN -0.342 7.869 8.310 0.021 0.111 0.488 171 A N 0.034 122.791 122.820 -0.105 0.000 1.898 171 A HA -0.091 4.069 4.320 -0.267 0.000 0.214 171 A C -0.025 177.289 177.584 -0.450 0.000 1.183 171 A CA 2.084 53.932 52.037 -0.315 0.000 0.622 171 A CB 0.928 19.671 19.000 -0.427 0.000 0.824 171 A HN -0.602 7.410 8.150 -0.061 0.101 0.444 172 Y N -5.568 114.764 120.300 0.054 0.000 2.553 172 Y HA 0.489 5.114 4.550 0.125 0.000 0.369 172 Y C -2.399 173.564 175.900 0.106 0.000 0.964 172 Y CA -3.815 54.354 58.100 0.114 0.000 1.156 172 Y CB -0.443 38.117 38.460 0.167 0.000 1.218 172 Y HN -0.322 7.983 8.280 0.042 0.000 0.630 173 P HA -0.093 4.487 4.420 0.109 -0.095 0.264 173 P C 0.836 178.208 177.300 0.120 0.000 1.193 173 P CA 1.166 64.334 63.100 0.114 0.000 0.763 173 P CB 0.053 31.792 31.700 0.065 0.000 0.810 174 G N 3.979 112.839 108.800 0.101 0.000 2.184 174 G HA2 -0.368 3.629 3.960 0.061 0.000 0.264 174 G HA3 -0.368 3.627 3.960 0.058 0.000 0.264 174 G C 0.163 175.115 174.900 0.087 0.000 0.975 174 G CA 0.598 45.744 45.100 0.076 0.000 0.642 174 G HN 0.493 8.841 8.290 0.097 0.000 0.536 175 Q N -1.896 117.996 119.800 0.153 0.000 2.217 175 Q HA 0.075 4.452 4.340 0.061 0.000 0.217 175 Q C -0.751 175.396 176.000 0.245 0.000 0.844 175 Q CA -0.448 55.454 55.803 0.165 0.000 0.957 175 Q CB 1.271 30.148 28.738 0.231 0.000 1.127 175 Q HN -0.226 8.070 8.270 0.196 0.091 0.503 176 I N -0.286 120.412 120.570 0.213 0.000 2.354 176 I HA 0.083 4.405 4.170 0.254 0.000 0.292 176 I C -0.508 175.688 176.117 0.132 0.000 0.989 176 I CA -2.185 59.233 61.300 0.198 0.000 1.188 176 I CB -0.056 38.050 38.000 0.177 0.000 1.342 176 I HN -0.449 7.869 8.210 0.180 0.000 0.457 177 T N 1.677 116.305 114.554 0.125 0.000 2.922 177 T HA 0.382 4.773 4.350 0.069 0.000 0.281 177 T C 0.679 175.430 174.700 0.086 0.000 1.005 177 T CA -2.170 59.981 62.100 0.085 0.000 0.982 177 T CB 2.374 71.284 68.868 0.070 0.000 1.158 177 T HN -0.513 7.819 8.240 0.153 0.000 0.566 178 S N -2.088 113.647 115.700 0.060 0.000 2.603 178 S HA -0.163 4.346 4.470 0.065 0.000 0.229 178 S C -0.099 174.540 174.600 0.065 0.000 0.972 178 S CA 1.582 59.813 58.200 0.053 0.000 0.935 178 S CB -0.292 62.919 63.200 0.020 0.000 0.769 178 S HN 0.264 8.600 8.310 0.043 0.000 0.536 179 N N 0.245 119.001 118.700 0.093 0.000 2.234 179 N HA 0.175 4.984 4.740 0.116 0.000 0.227 179 N C -1.935 173.696 175.510 0.201 0.000 1.151 179 N CA -0.418 52.719 53.050 0.146 0.000 0.865 179 N CB 1.185 39.785 38.487 0.189 0.000 1.066 179 N HN -0.554 7.782 8.380 0.094 0.100 0.515 180 M N -1.050 118.654 119.600 0.173 0.000 2.619 180 M HA 0.878 5.635 4.480 0.103 -0.215 0.297 180 M C -2.382 174.034 176.300 0.194 0.000 1.229 180 M CA -0.418 54.962 55.300 0.134 0.000 0.860 180 M CB 5.126 37.785 32.600 0.097 0.000 1.741 180 M HN -0.706 7.594 8.290 0.153 0.081 0.462 181 F N -6.165 113.828 119.950 0.072 0.000 2.668 181 F HA 0.615 5.172 4.527 0.050 0.000 0.309 181 F C -2.654 173.196 175.800 0.085 0.000 1.117 181 F CA -1.551 56.489 58.000 0.067 0.000 0.951 181 F CB 2.347 41.386 39.000 0.064 0.000 1.323 181 F HN 0.000 8.175 8.300 -0.209 0.000 0.451 182 c N 0.087 118.857 118.600 0.283 0.000 2.397 182 c HA 0.991 5.802 4.570 0.074 -0.197 0.343 182 c C -0.941 173.352 174.090 0.339 0.000 1.188 182 c CA -0.848 55.595 56.329 0.190 0.000 1.992 182 c CB 2.817 45.404 42.510 0.128 0.000 2.358 182 c HN 0.835 9.263 8.230 0.329 0.000 0.518 183 A N 2.351 125.342 122.820 0.286 0.000 2.497 183 A HA 0.643 5.181 4.320 0.094 -0.161 0.280 183 A C -2.285 175.351 177.584 0.087 0.000 1.065 183 A CA -0.225 51.908 52.037 0.159 0.000 0.781 183 A CB 2.771 21.814 19.000 0.071 0.000 1.289 183 A HN 0.333 8.663 8.150 0.300 0.000 0.415 184 Y N 3.020 123.353 120.300 0.055 0.000 2.452 184 Y HA 0.074 4.643 4.550 0.033 0.000 0.348 184 Y C 0.975 176.891 175.900 0.026 0.000 0.985 184 Y CA -0.209 57.912 58.100 0.036 0.000 1.214 184 Y CB 0.049 38.528 38.460 0.033 0.000 1.136 184 Y HN 0.415 8.815 8.280 0.200 0.000 0.523 185 L N 3.988 125.280 121.223 0.115 0.000 2.353 185 L HA -0.351 4.016 4.340 0.045 0.000 0.220 185 L C 1.005 177.918 176.870 0.071 0.000 1.133 185 L CA 2.287 57.165 54.840 0.064 0.000 0.798 185 L CB -0.469 41.608 42.059 0.030 0.000 0.922 185 L HN 0.519 8.799 8.230 0.083 0.000 0.445 186 E N -2.406 117.856 120.200 0.105 0.000 2.435 186 E HA -0.075 4.302 4.350 0.045 0.000 0.195 186 E C 0.820 177.455 176.600 0.059 0.000 1.029 186 E CA -0.024 56.417 56.400 0.067 0.000 0.865 186 E CB -0.405 29.331 29.700 0.059 0.000 0.833 186 E HN 0.043 8.448 8.360 0.158 0.050 0.510 187 G N 1.090 109.943 108.800 0.089 0.000 3.405 187 G HA2 -0.385 3.657 3.960 0.086 0.000 0.676 187 G HA3 -0.385 3.624 3.960 0.045 -0.022 0.676 187 G C -0.841 174.080 174.900 0.036 0.000 1.039 187 G CA -0.103 45.037 45.100 0.067 0.000 0.855 187 G HN -0.342 7.858 8.290 0.137 0.172 0.443 188 K N 1.358 121.759 120.400 0.001 0.000 6.999 188 K HA -0.605 3.955 4.320 0.009 -0.235 0.712 188 K C -1.393 175.302 176.600 0.157 0.000 2.465 188 K CA 0.468 56.770 56.287 0.024 0.000 1.780 188 K CB -0.126 32.289 32.500 -0.141 0.000 1.897 188 K HN 0.211 8.484 8.250 0.038 0.000 0.299 189 D N 0.544 121.020 120.400 0.126 0.000 2.725 189 D HA 0.311 5.074 4.640 0.204 0.000 0.292 189 D C -1.916 174.454 176.300 0.117 0.000 1.288 189 D CA -0.662 53.428 54.000 0.150 0.000 0.784 189 D CB 4.538 45.410 40.800 0.121 0.000 1.308 189 D HN 0.271 8.690 8.370 0.081 0.000 0.429 190 S N -1.623 114.160 115.700 0.139 0.000 2.707 190 S HA 0.294 4.821 4.470 0.095 0.000 0.276 190 S C -1.336 173.316 174.600 0.086 0.000 1.179 190 S CA -0.447 57.827 58.200 0.122 0.000 0.992 190 S CB 1.704 65.022 63.200 0.197 0.000 1.030 190 S HN 0.280 8.691 8.310 0.168 0.000 0.554 191 c N -1.600 117.055 118.600 0.092 0.000 3.292 191 c HA 0.299 4.917 4.570 0.079 0.000 0.369 191 c C -1.524 172.654 174.090 0.146 0.000 1.664 191 c CA -0.715 55.669 56.329 0.092 0.000 1.204 191 c CB 2.762 45.306 42.510 0.056 0.000 1.978 191 c HN 0.318 8.903 8.230 0.107 -0.291 0.435 192 Q N 1.673 121.575 119.800 0.171 0.000 2.315 192 Q HA -0.307 4.169 4.340 0.227 0.000 0.289 192 Q C 1.012 177.232 176.000 0.366 0.000 1.044 192 Q CA 2.140 58.094 55.803 0.253 0.000 0.920 192 Q CB 0.673 29.576 28.738 0.275 0.000 1.214 192 Q HN 0.447 8.797 8.270 0.134 0.000 0.392 193 G N 6.098 115.097 108.800 0.332 0.000 2.254 193 G HA2 -0.417 3.712 3.960 0.283 0.000 0.225 193 G HA3 -0.417 3.878 3.960 0.559 0.000 0.225 193 G C 0.674 175.804 174.900 0.384 0.000 1.003 193 G CA 1.130 46.469 45.100 0.398 0.000 0.622 193 G HN 0.842 9.292 8.290 0.265 0.000 0.507 194 D N 2.153 122.718 120.400 0.275 0.000 2.301 194 D HA 0.088 4.871 4.640 0.237 0.000 0.206 194 D C 0.244 176.644 176.300 0.167 0.000 0.979 194 D CA 1.159 55.285 54.000 0.211 0.000 0.874 194 D CB 0.812 41.705 40.800 0.154 0.000 0.968 194 D HN 0.090 8.497 8.370 0.257 0.116 0.510 195 S N -0.365 115.430 115.700 0.159 0.000 2.599 195 S HA -0.596 4.086 4.470 0.139 -0.129 0.303 195 S C 0.950 175.571 174.600 0.034 0.000 1.267 195 S CA 2.461 60.735 58.200 0.123 0.000 1.055 195 S CB 0.013 63.316 63.200 0.171 0.000 0.790 195 S HN -0.613 7.808 8.310 0.185 0.000 0.500 196 G N 4.354 113.166 108.800 0.020 0.000 2.241 196 G HA2 -0.445 3.572 3.960 -0.027 0.000 0.244 196 G HA3 -0.445 3.581 3.960 -0.062 -0.104 0.244 196 G C -0.239 174.692 174.900 0.053 0.000 0.998 196 G CA 0.173 45.266 45.100 -0.011 0.000 0.621 196 G HN 0.779 9.000 8.290 0.062 0.105 0.519 197 G N 0.700 109.556 108.800 0.094 0.000 2.563 197 G HA2 0.432 4.532 3.960 0.117 0.000 0.283 197 G HA3 0.432 4.464 3.960 0.121 0.000 0.283 197 G C -2.747 172.234 174.900 0.135 0.000 1.309 197 G CA -1.995 43.176 45.100 0.119 0.000 1.022 197 G HN -0.172 8.090 8.290 0.103 0.089 0.501 198 P HA 0.450 5.079 4.420 0.124 -0.134 0.284 198 P C -1.637 175.725 177.300 0.103 0.000 1.258 198 P CA -1.035 62.154 63.100 0.147 0.000 0.824 198 P CB 1.930 33.775 31.700 0.241 0.000 1.038 199 V N 1.918 121.870 119.914 0.063 0.000 2.380 199 V HA 0.264 4.522 4.120 -0.027 -0.154 0.286 199 V C -1.339 174.762 176.094 0.012 0.000 1.015 199 V CA -0.473 61.824 62.300 -0.006 0.000 0.834 199 V CB 1.739 33.519 31.823 -0.071 0.000 1.009 199 V HN -0.067 8.166 8.190 0.073 0.000 0.428 200 V N 8.037 127.953 119.914 0.002 0.000 2.459 200 V HA 0.635 4.907 4.120 -0.068 -0.193 0.295 200 V C -1.404 174.673 176.094 -0.028 0.000 1.029 200 V CA -1.350 60.925 62.300 -0.043 0.000 0.874 200 V CB 3.139 34.914 31.823 -0.080 0.000 0.985 200 V HN 0.640 8.845 8.190 0.026 0.000 0.438 201 c N 7.256 125.827 118.600 -0.048 0.000 2.482 201 c HA 0.586 5.137 4.570 -0.032 0.000 0.317 201 c C 0.185 174.247 174.090 -0.046 0.000 1.197 201 c CA -1.295 55.005 56.329 -0.048 0.000 1.432 201 c CB 2.254 44.718 42.510 -0.078 0.000 2.062 201 c HN 0.662 8.856 8.230 -0.060 0.000 0.471 202 S N 4.542 120.224 115.700 -0.031 0.000 3.549 202 S HA -0.434 4.027 4.470 -0.015 0.000 0.366 202 S C 0.337 174.919 174.600 -0.029 0.000 1.012 202 S CA 1.099 59.284 58.200 -0.026 0.000 1.141 202 S CB -1.875 61.306 63.200 -0.032 0.000 0.910 202 S HN 1.061 9.358 8.310 -0.022 0.000 0.471 203 G N -5.059 103.723 108.800 -0.030 0.000 2.153 203 G HA2 -0.508 3.425 3.960 -0.044 0.000 0.252 203 G HA3 -0.508 3.435 3.960 -0.028 0.000 0.252 203 G C -1.161 173.692 174.900 -0.078 0.000 0.994 203 G CA 0.381 45.454 45.100 -0.045 0.000 0.698 203 G HN 0.258 8.523 8.290 -0.022 0.011 0.521 210 Q N 1.355 121.175 119.800 0.033 0.000 2.396 210 Q HA 0.190 4.572 4.340 0.070 0.000 0.220 210 Q C -0.223 175.947 176.000 0.283 0.000 0.900 210 Q CA 0.260 56.112 55.803 0.082 0.000 0.925 210 Q CB 2.621 31.336 28.738 -0.039 0.000 1.065 210 Q HN 0.289 8.567 8.270 0.013 0.000 0.535 211 G N -3.215 105.759 108.800 0.291 0.000 2.680 211 G HA2 0.614 5.056 3.960 0.376 0.000 0.290 211 G HA3 0.614 4.788 3.960 0.356 0.000 0.290 211 G C -3.260 171.745 174.900 0.176 0.000 1.355 211 G CA -0.867 44.426 45.100 0.321 0.000 0.903 211 G HN -0.363 8.031 8.290 0.174 0.000 0.474 212 I N -1.124 119.549 120.570 0.172 0.000 2.466 212 I HA 0.610 5.105 4.170 0.152 -0.234 0.289 212 I C -0.390 175.859 176.117 0.220 0.000 1.026 212 I CA -1.424 59.970 61.300 0.156 0.000 1.078 212 I CB 4.256 42.309 38.000 0.088 0.000 1.249 212 I HN -0.420 7.959 8.210 0.153 -0.077 0.429 213 V N 7.431 127.494 119.914 0.248 0.000 2.493 213 V HA -0.203 4.010 4.120 0.156 0.000 0.292 213 V C -1.087 175.039 176.094 0.054 0.000 1.016 213 V CA 2.086 64.492 62.300 0.177 0.000 1.097 213 V CB -1.176 30.767 31.823 0.200 0.000 0.947 213 V HN 0.428 8.743 8.190 0.207 0.000 0.479 214 S N 7.723 123.352 115.700 -0.119 0.000 3.200 214 S HA 0.297 4.953 4.470 0.310 0.000 0.209 214 S C -0.908 173.771 174.600 0.130 0.000 0.869 214 S CA 0.923 59.183 58.200 0.101 0.000 0.820 214 S CB 2.635 65.885 63.200 0.084 0.000 0.834 214 S HN 0.016 8.043 8.310 -0.472 0.000 0.622 215 W N -4.218 116.919 121.300 -0.271 0.000 3.003 215 W HA 0.272 4.821 4.660 -0.184 0.000 0.362 215 W C -2.934 173.404 176.519 -0.301 0.000 1.213 215 W CA -0.951 56.240 57.345 -0.257 0.000 1.157 215 W CB 0.891 30.189 29.460 -0.270 0.000 1.493 215 W HN -0.407 7.457 8.180 -0.527 0.000 0.589 216 G N -3.423 105.398 108.800 0.035 0.000 2.451 216 G HA2 0.086 3.734 3.960 -0.519 0.000 0.292 216 G HA3 0.086 3.967 3.960 -0.132 0.000 0.292 216 G C -2.051 172.961 174.900 0.187 0.000 1.427 216 G CA 0.195 45.226 45.100 -0.114 0.000 0.792 216 G HN -0.053 8.413 8.290 0.292 0.000 0.498 220 c N 2.022 120.659 118.600 0.062 0.000 3.495 220 c HA 0.283 5.018 4.570 0.061 -0.129 0.201 220 c C -1.387 172.734 174.090 0.051 0.000 1.408 220 c CA -1.028 55.334 56.329 0.056 0.000 1.367 220 c CB -1.460 41.076 42.510 0.044 0.000 1.845 220 c HN 0.322 8.585 8.230 0.055 0.000 0.500 221 Q N -1.648 118.184 119.800 0.054 0.000 2.938 221 Q HA 0.079 4.440 4.340 0.034 0.000 0.230 221 Q C -1.255 174.766 176.000 0.035 0.000 1.008 221 Q CA -0.594 55.233 55.803 0.041 0.000 0.925 221 Q CB 1.906 30.669 28.738 0.043 0.000 2.116 221 Q HN 0.202 8.509 8.270 0.062 0.000 0.515 222 K N 4.428 124.842 120.400 0.024 0.000 2.489 222 K HA -0.299 4.158 4.320 0.030 -0.119 0.278 222 K C 0.220 176.817 176.600 -0.006 0.000 1.000 222 K CA 0.917 57.214 56.287 0.017 0.000 1.012 222 K CB -0.065 32.443 32.500 0.012 0.000 0.903 222 K HN 0.317 8.581 8.250 0.022 0.000 0.485 223 N N 1.772 120.464 118.700 -0.014 0.000 2.815 223 N HA -0.485 4.222 4.740 -0.055 0.000 0.247 223 N C -1.605 173.827 175.510 -0.131 0.000 1.030 223 N CA 1.867 54.879 53.050 -0.062 0.000 0.881 223 N CB -0.344 38.103 38.487 -0.067 0.000 1.134 223 N HN 0.721 8.982 8.380 0.007 0.122 0.582 224 K N -1.879 118.473 120.400 -0.079 0.000 2.624 224 K HA 0.554 4.653 4.320 -0.367 0.000 0.200 224 K C -2.436 174.196 176.600 0.054 0.000 1.036 224 K CA -3.484 52.745 56.287 -0.097 0.000 1.029 224 K CB -0.006 32.503 32.500 0.016 0.000 1.317 224 K HN -0.624 7.550 8.250 -0.019 0.064 0.555 225 P HA -0.022 4.453 4.420 0.092 0.000 0.275 225 P C -0.577 176.769 177.300 0.077 0.000 1.266 225 P CA -0.514 62.645 63.100 0.099 0.000 0.793 225 P CB 1.230 32.976 31.700 0.077 0.000 1.074 226 G N -2.490 106.319 108.800 0.015 0.000 2.476 226 G HA2 0.339 4.085 3.960 -0.356 0.000 0.269 226 G HA3 0.339 4.162 3.960 -0.229 0.000 0.269 226 G C -1.814 172.760 174.900 -0.543 0.000 1.195 226 G CA -0.665 44.264 45.100 -0.285 0.000 0.843 226 G HN -0.379 7.979 8.290 0.113 0.000 0.545 227 V N 1.692 120.954 119.914 -1.086 0.000 2.540 227 V HA 0.595 4.467 4.120 -0.684 -0.162 0.302 227 V C -1.039 174.309 176.094 -1.244 0.000 1.035 227 V CA -0.989 60.647 62.300 -1.107 0.000 0.873 227 V CB 2.568 33.290 31.823 -1.836 0.000 0.992 227 V HN 0.221 7.720 8.190 -1.151 0.000 0.428 228 Y N 4.835 124.744 120.300 -0.651 0.000 2.536 228 Y HA 0.608 5.091 4.550 -0.357 -0.147 0.347 228 Y C 0.251 175.892 175.900 -0.432 0.000 1.000 228 Y CA -2.281 55.454 58.100 -0.608 0.000 1.051 228 Y CB 3.852 41.694 38.460 -1.031 0.000 1.259 228 Y HN 0.976 8.883 8.280 -0.621 0.000 0.468 229 T N 4.447 118.975 114.554 -0.042 0.000 2.884 229 T HA 0.026 4.587 4.350 0.103 -0.150 0.298 229 T C -0.631 174.194 174.700 0.209 0.000 0.998 229 T CA 1.451 63.600 62.100 0.080 0.000 1.124 229 T CB 0.615 69.508 68.868 0.043 0.000 0.931 229 T HN 0.499 8.743 8.240 0.007 0.000 0.531 230 K N 7.969 128.577 120.400 0.345 0.000 2.150 230 K HA 0.141 4.844 4.320 0.639 0.000 0.261 230 K C 1.006 177.854 176.600 0.412 0.000 1.127 230 K CA -0.677 55.883 56.287 0.455 0.000 0.989 230 K CB -0.381 32.339 32.500 0.367 0.000 1.475 230 K HN 0.257 8.604 8.250 0.325 0.098 0.391 231 V N 5.725 125.863 119.914 0.373 0.000 2.453 231 V HA -0.547 3.855 4.120 0.471 0.000 0.252 231 V C 1.481 177.736 176.094 0.267 0.000 1.068 231 V CA 3.902 66.408 62.300 0.343 0.000 1.070 231 V CB -0.377 31.579 31.823 0.221 0.000 0.664 231 V HN 0.243 8.661 8.190 0.381 0.000 0.461 232 c N -2.888 115.811 118.600 0.164 0.000 2.410 232 c HA -0.236 4.380 4.570 0.076 0.000 0.281 232 c C 1.592 175.704 174.090 0.036 0.000 1.318 232 c CA 1.947 58.322 56.329 0.078 0.000 1.776 232 c CB -2.009 40.518 42.510 0.029 0.000 1.942 232 c HN 0.477 8.782 8.230 0.168 0.026 0.508 233 N N -0.085 118.605 118.700 -0.017 0.000 2.461 233 N HA -0.075 4.572 4.740 -0.154 0.000 0.188 233 N C -0.244 175.027 175.510 -0.399 0.000 1.134 233 N CA 0.910 53.812 53.050 -0.246 0.000 0.878 233 N CB -0.393 37.831 38.487 -0.437 0.000 0.972 233 N HN -0.237 8.153 8.380 0.064 0.028 0.456 234 Y N -4.671 115.690 120.300 0.102 0.000 2.500 234 Y HA 0.120 4.791 4.550 0.203 0.000 0.246 234 Y C 0.232 176.269 175.900 0.227 0.000 1.146 234 Y CA -0.106 58.108 58.100 0.190 0.000 1.230 234 Y CB 0.196 38.776 38.460 0.199 0.000 1.214 234 Y HN -0.139 8.039 8.280 0.176 0.208 0.526 235 V N 1.193 121.242 119.914 0.225 0.000 2.332 235 V HA -0.586 3.628 4.120 0.158 0.000 0.248 235 V C 1.340 177.507 176.094 0.122 0.000 1.055 235 V CA 5.050 67.440 62.300 0.150 0.000 1.038 235 V CB -0.562 31.311 31.823 0.083 0.000 0.651 235 V HN -0.865 7.366 8.190 0.158 0.054 0.450 236 S N -0.037 115.737 115.700 0.123 0.000 2.368 236 S HA -0.330 4.167 4.470 0.045 0.000 0.225 236 S C 1.633 176.310 174.600 0.129 0.000 1.030 236 S CA 3.587 61.844 58.200 0.094 0.000 0.999 236 S CB -0.481 62.771 63.200 0.086 0.000 0.844 236 S HN 0.177 8.557 8.310 0.117 0.000 0.459 237 W N 4.022 125.358 121.300 0.060 0.000 2.355 237 W HA -0.140 4.550 4.660 0.050 0.000 0.309 237 W C 1.518 178.056 176.519 0.031 0.000 1.206 237 W CA 3.024 60.418 57.345 0.082 0.000 1.284 237 W CB -0.002 29.586 29.460 0.214 0.000 1.145 237 W HN -0.423 7.983 8.180 0.392 0.009 0.502 238 I N -1.002 119.581 120.570 0.022 0.000 2.127 238 I HA -0.772 3.016 4.170 -0.637 0.000 0.241 238 I C 1.889 177.776 176.117 -0.384 0.000 1.075 238 I CA 4.611 65.743 61.300 -0.280 0.000 1.334 238 I CB -0.264 37.739 38.000 0.005 0.000 1.040 238 I HN 0.531 8.948 8.210 0.345 0.000 0.405 239 K N -1.040 119.236 120.400 -0.207 0.000 2.032 239 K HA -0.435 3.743 4.320 -0.237 0.000 0.209 239 K C 2.741 179.193 176.600 -0.247 0.000 1.048 239 K CA 3.785 59.949 56.287 -0.205 0.000 0.927 239 K CB -0.386 32.054 32.500 -0.100 0.000 0.712 239 K HN -0.328 7.868 8.250 -0.091 0.000 0.441 240 Q N -1.345 118.322 119.800 -0.223 0.000 2.020 240 Q HA -0.311 3.939 4.340 -0.150 0.000 0.202 240 Q C 2.675 178.486 176.000 -0.315 0.000 0.982 240 Q CA 3.293 58.973 55.803 -0.205 0.000 0.838 240 Q CB 0.012 28.677 28.738 -0.121 0.000 0.899 240 Q HN 0.235 8.292 8.270 -0.174 0.108 0.423 241 T N 3.033 117.268 114.554 -0.532 0.000 2.684 241 T HA -0.280 3.822 4.350 -0.414 0.000 0.267 241 T C 2.503 176.868 174.700 -0.559 0.000 1.036 241 T CA 5.013 66.750 62.100 -0.605 0.000 1.148 241 T CB -0.210 67.986 68.868 -1.120 0.000 0.863 241 T HN 0.192 7.933 8.240 -0.649 0.110 0.436 242 I N 0.890 121.030 120.570 -0.717 0.000 2.226 242 I HA -0.461 2.931 4.170 -1.297 0.000 0.245 242 I C 1.783 177.665 176.117 -0.391 0.000 1.100 242 I CA 3.632 64.399 61.300 -0.888 0.000 1.374 242 I CB -0.380 37.018 38.000 -1.004 0.000 1.057 242 I HN 0.248 8.036 8.210 -0.703 0.000 0.413 243 A N 0.172 122.818 122.820 -0.290 0.000 1.902 243 A HA -0.223 4.031 4.320 -0.110 0.000 0.217 243 A C 1.375 178.906 177.584 -0.088 0.000 1.181 243 A CA 3.080 55.029 52.037 -0.146 0.000 0.623 243 A CB -0.246 18.678 19.000 -0.126 0.000 0.818 243 A HN 0.040 7.981 8.150 -0.336 0.007 0.443 244 S N -4.576 111.060 115.700 -0.107 0.000 2.671 244 S HA 0.036 4.489 4.470 -0.028 0.000 0.220 244 S C 0.013 174.612 174.600 -0.003 0.000 0.951 244 S CA 0.360 58.530 58.200 -0.049 0.000 0.932 244 S CB 0.363 63.529 63.200 -0.057 0.000 0.777 244 S HN -0.249 7.875 8.310 -0.170 0.084 0.508 245 N N 0.000 118.720 118.700 0.034 0.000 1.763 245 N HA 0.000 4.808 4.740 0.113 0.000 0.220 245 N CA 0.000 53.146 53.050 0.161 0.000 0.885 245 N CB 0.000 38.652 38.487 0.274 0.000 1.341 245 N HN 0.000 8.194 8.380 -0.007 0.181 0.667