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 2ps3_1_A DATA FIRST_RESID 27 DATA SEQUENCE AVVASLKPVG FIASAIADGV TETEVLLPDG ASEHDYSLRP SDVKRLQNAD DATA SEQUENCE LVVWVGPEME AFMQKPVSKL PGAKQVTIAQ LEDVKPLLMK SXXXXXXXXX DATA SEQUENCE XXXXXXXXXX HGDFNMHLWL SPEIARATAV AIHGKLVELM PQSRAKLDAN DATA SEQUENCE LKDFEAQLAS TETQVGNELA PLKGKGYFVF HDAYGYFEKQ FGLTPLGHFT DATA SEQUENCE VNPEIQPGAQ RLHEIRTQLV EQKATcVFAE PQFRPAVVES VARGTSVRMG DATA SEQUENCE TLDPLGTNIK LGKTSYSEFL SQLANQYASc LKGD 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 27 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 27 A C 0.000 177.574 177.584 -0.017 0.000 1.274 27 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 27 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 28 V N 1.422 121.326 119.914 -0.016 0.000 2.383 28 V HA 0.469 4.579 4.120 -0.017 0.000 0.275 28 V C -0.099 175.980 176.094 -0.024 0.000 1.036 28 V CA -0.450 61.839 62.300 -0.020 0.000 0.889 28 V CB 1.232 33.044 31.823 -0.019 0.000 0.985 28 V HN 0.693 8.883 8.190 -0.000 0.000 0.459 29 V N 5.032 124.929 119.914 -0.028 0.000 2.347 29 V HA 0.694 4.804 4.120 -0.017 0.000 0.280 29 V C 0.533 176.606 176.094 -0.035 0.000 1.021 29 V CA -0.395 61.885 62.300 -0.034 0.000 0.847 29 V CB 1.405 33.206 31.823 -0.036 0.000 0.990 29 V HN 0.977 9.167 8.190 -0.000 0.000 0.444 30 A N 3.708 126.500 122.820 -0.047 0.000 2.303 30 A HA 0.640 4.950 4.320 -0.017 0.000 0.317 30 A C 1.275 178.827 177.584 -0.054 0.000 1.149 30 A CA 0.207 52.211 52.037 -0.055 0.000 0.822 30 A CB 1.195 20.135 19.000 -0.100 0.000 1.131 30 A HN 0.998 9.148 8.150 -0.000 0.000 0.493 31 S N 2.037 117.722 115.700 -0.025 0.000 2.338 31 S HA 0.052 4.512 4.470 -0.017 0.000 0.218 31 S C 0.614 175.174 174.600 -0.068 0.000 1.032 31 S CA 0.851 59.055 58.200 0.006 0.000 0.999 31 S CB -0.762 62.462 63.200 0.040 0.000 0.905 31 S HN 0.577 8.887 8.310 -0.000 0.000 0.439 32 L N 0.538 121.642 121.223 -0.199 0.000 2.303 32 L HA 0.534 4.863 4.340 -0.017 0.000 0.266 32 L C 1.344 177.924 176.870 -0.484 0.000 1.011 32 L CA -0.926 53.695 54.840 -0.365 0.000 0.818 32 L CB 1.273 42.982 42.059 -0.583 0.000 1.326 32 L HN 0.015 8.245 8.230 -0.000 0.000 0.435 33 K N 1.106 121.157 120.400 -0.582 0.000 2.002 33 K HA -0.087 4.223 4.320 -0.017 0.000 0.209 33 K C -0.885 174.970 176.600 -1.241 0.000 1.048 33 K CA 1.653 57.482 56.287 -0.763 0.000 0.930 33 K CB -0.611 31.490 32.500 -0.666 0.000 0.714 33 K HN 0.444 8.694 8.250 -0.000 0.000 0.438 34 P HA -0.101 4.319 4.420 -0.000 0.000 0.220 34 P C 1.212 178.279 177.300 -0.389 0.000 1.148 34 P CA 0.775 63.203 63.100 -1.121 0.000 0.803 34 P CB 0.123 31.234 31.700 -0.981 0.000 0.782 35 V N 0.190 119.865 119.914 -0.398 0.000 2.407 35 V HA -0.186 3.924 4.120 -0.017 0.000 0.248 35 V C 2.609 178.612 176.094 -0.152 0.000 1.055 35 V CA 2.507 64.706 62.300 -0.168 0.000 1.049 35 V CB -1.868 29.866 31.823 -0.148 0.000 0.662 35 V HN 0.179 8.369 8.190 -0.000 0.000 0.455 36 G N -0.520 108.120 108.800 -0.267 0.000 2.422 36 G HA2 -0.232 3.717 3.960 -0.017 0.000 0.218 36 G HA3 -0.232 3.717 3.960 -0.017 0.000 0.218 36 G C 1.378 176.284 174.900 0.010 0.000 1.146 36 G CA 0.735 45.735 45.100 -0.167 0.000 0.769 36 G HN 0.422 8.712 8.290 -0.000 0.000 0.547 37 F N 1.489 121.436 119.950 -0.005 0.000 2.126 37 F HA -0.064 4.458 4.527 -0.008 0.000 0.299 37 F C 2.707 178.576 175.800 0.115 0.000 1.096 37 F CA -0.029 58.036 58.000 0.108 0.000 1.255 37 F CB -0.743 38.401 39.000 0.241 0.000 0.997 37 F HN 0.073 8.373 8.300 -0.000 0.000 0.479 38 I N 0.193 120.872 120.570 0.182 0.000 2.142 38 I HA -0.234 3.925 4.170 -0.017 0.000 0.240 38 I C 2.672 178.705 176.117 -0.140 0.000 1.078 38 I CA 1.472 62.708 61.300 -0.107 0.000 1.343 38 I CB -2.083 35.763 38.000 -0.256 0.000 1.046 38 I HN 0.069 8.279 8.210 -0.000 0.000 0.405 39 A N 0.680 123.457 122.820 -0.070 0.000 1.883 39 A HA -0.265 4.045 4.320 -0.017 0.000 0.217 39 A C 2.654 180.229 177.584 -0.015 0.000 1.186 39 A CA 2.501 54.504 52.037 -0.057 0.000 0.624 39 A CB -1.109 17.868 19.000 -0.038 0.000 0.822 39 A HN 0.437 8.587 8.150 -0.000 0.000 0.444 40 S N -0.523 115.204 115.700 0.045 0.000 2.380 40 S HA -0.171 4.289 4.470 -0.017 0.000 0.229 40 S C 2.082 176.729 174.600 0.079 0.000 1.043 40 S CA 1.847 60.096 58.200 0.082 0.000 1.038 40 S CB -0.469 62.826 63.200 0.159 0.000 0.872 40 S HN 0.901 9.211 8.310 -0.000 0.000 0.456 41 A N 0.683 123.555 122.820 0.086 0.000 2.014 41 A HA 0.107 4.417 4.320 -0.017 0.000 0.218 41 A C 1.937 179.542 177.584 0.035 0.000 1.163 41 A CA 1.025 53.125 52.037 0.106 0.000 0.652 41 A CB -0.321 18.823 19.000 0.240 0.000 0.808 41 A HN 0.582 8.732 8.150 -0.000 0.000 0.449 42 I N -1.046 119.503 120.570 -0.035 0.000 2.867 42 I HA 0.036 4.196 4.170 -0.017 0.000 0.265 42 I C 2.274 178.398 176.117 0.012 0.000 1.162 42 I CA 1.215 62.502 61.300 -0.023 0.000 1.471 42 I CB -1.153 36.804 38.000 -0.071 0.000 1.123 42 I HN 0.296 8.506 8.210 -0.000 0.000 0.440 43 A N 0.528 123.351 122.820 0.005 0.000 2.370 43 A HA -0.007 4.302 4.320 -0.017 0.000 0.238 43 A C 0.440 178.038 177.584 0.023 0.000 1.289 43 A CA -0.178 51.864 52.037 0.010 0.000 0.885 43 A CB -0.891 18.110 19.000 0.001 0.000 0.961 43 A HN 0.314 8.464 8.150 -0.000 0.000 0.499 44 D N -0.654 119.767 120.400 0.035 0.000 2.401 44 D HA 0.404 5.034 4.640 -0.017 0.000 0.254 44 D C 1.412 177.732 176.300 0.034 0.000 1.192 44 D CA 1.660 55.685 54.000 0.042 0.000 0.885 44 D CB 0.277 41.111 40.800 0.057 0.000 1.147 44 D HN 0.400 8.770 8.370 -0.000 0.000 0.478 45 G N 2.379 111.196 108.800 0.029 0.000 4.890 45 G HA2 -0.387 3.562 3.960 -0.017 0.000 0.221 45 G HA3 -0.387 3.562 3.960 -0.017 0.000 0.221 45 G C 1.413 176.323 174.900 0.016 0.000 1.472 45 G CA 0.115 45.229 45.100 0.023 0.000 0.962 45 G HN 0.678 8.968 8.290 -0.000 0.000 0.671 46 V N 1.073 120.996 119.914 0.015 0.000 2.311 46 V HA 0.045 4.155 4.120 -0.017 0.000 0.256 46 V C 1.523 177.619 176.094 0.003 0.000 1.077 46 V CA 3.245 65.549 62.300 0.007 0.000 1.067 46 V CB -0.932 30.894 31.823 0.004 0.000 0.659 46 V HN 1.652 9.842 8.190 -0.000 0.000 0.451 47 T N -2.686 111.871 114.554 0.005 0.000 2.733 47 T HA 0.374 4.714 4.350 -0.017 0.000 0.312 47 T C -1.437 173.266 174.700 0.005 0.000 1.590 47 T CA -0.752 61.349 62.100 0.002 0.000 1.005 47 T CB 1.608 70.473 68.868 -0.005 0.000 1.528 47 T HN 0.301 8.541 8.240 -0.000 0.000 0.496 48 E N 0.703 120.905 120.200 0.003 0.000 2.371 48 E HA 0.586 4.926 4.350 -0.017 0.000 0.257 48 E C -0.549 176.052 176.600 0.002 0.000 1.134 48 E CA -0.257 56.146 56.400 0.005 0.000 0.919 48 E CB 0.797 30.498 29.700 0.002 0.000 1.025 48 E HN 0.496 8.856 8.360 -0.000 0.000 0.438 49 T N 1.553 116.110 114.554 0.005 0.000 2.879 49 T HA 0.342 4.682 4.350 -0.017 0.000 0.290 49 T C -0.852 173.842 174.700 -0.010 0.000 0.993 49 T CA -0.775 61.324 62.100 -0.002 0.000 0.975 49 T CB 0.930 69.805 68.868 0.012 0.000 0.981 49 T HN 0.283 8.523 8.240 -0.000 0.000 0.439 50 E N 1.556 121.741 120.200 -0.025 0.000 2.299 50 E HA 0.755 5.095 4.350 -0.017 0.000 0.265 50 E C -1.044 175.522 176.600 -0.057 0.000 0.911 50 E CA -0.952 55.427 56.400 -0.034 0.000 0.789 50 E CB 2.596 32.280 29.700 -0.027 0.000 1.246 50 E HN 0.263 8.623 8.360 -0.000 0.000 0.427 51 V N 2.078 121.949 119.914 -0.073 0.000 2.962 51 V HA 0.284 4.394 4.120 -0.017 0.000 0.313 51 V C 0.554 176.590 176.094 -0.096 0.000 1.099 51 V CA -0.535 61.701 62.300 -0.107 0.000 0.971 51 V CB 1.815 33.541 31.823 -0.162 0.000 1.028 51 V HN 0.660 8.850 8.190 -0.000 0.000 0.430 52 L N 1.596 122.760 121.223 -0.098 0.000 2.467 52 L HA 0.342 4.672 4.340 -0.017 0.000 0.213 52 L C 0.581 177.256 176.870 -0.324 0.000 1.053 52 L CA 0.278 55.064 54.840 -0.089 0.000 0.847 52 L CB 0.253 42.352 42.059 0.067 0.000 1.075 52 L HN 0.401 8.631 8.230 -0.000 0.000 0.479 53 L N 3.670 124.682 121.223 -0.351 0.000 2.385 53 L HA 0.252 4.582 4.340 -0.017 0.000 0.281 53 L C -2.054 174.564 176.870 -0.419 0.000 1.106 53 L CA -1.537 52.953 54.840 -0.583 0.000 0.856 53 L CB 0.110 41.961 42.059 -0.347 0.000 1.186 53 L HN -0.150 8.080 8.230 -0.000 0.000 0.453 54 P HA 0.144 4.564 4.420 -0.000 0.000 0.281 54 P C -1.079 176.115 177.300 -0.176 0.000 1.249 54 P CA -0.603 62.357 63.100 -0.233 0.000 0.810 54 P CB 0.697 32.295 31.700 -0.169 0.000 1.008 55 D N 0.599 120.932 120.400 -0.113 0.000 2.493 55 D HA 0.246 4.876 4.640 -0.017 0.000 0.240 55 D C 1.599 177.872 176.300 -0.045 0.000 1.142 55 D CA 1.730 55.688 54.000 -0.069 0.000 0.872 55 D CB 0.033 40.813 40.800 -0.033 0.000 1.173 55 D HN 0.736 9.106 8.370 -0.000 0.000 0.467 56 G N 0.924 109.708 108.800 -0.026 0.000 2.259 56 G HA2 -0.118 3.832 3.960 -0.017 0.000 0.217 56 G HA3 -0.118 3.832 3.960 -0.017 0.000 0.217 56 G C 0.381 175.273 174.900 -0.014 0.000 1.001 56 G CA 0.158 45.254 45.100 -0.006 0.000 0.627 56 G HN 0.855 9.145 8.290 -0.000 0.000 0.501 57 A N 0.175 122.967 122.820 -0.046 0.000 2.295 57 A HA 0.834 5.144 4.320 -0.017 0.000 0.318 57 A C 0.378 177.942 177.584 -0.032 0.000 1.134 57 A CA 0.609 52.622 52.037 -0.040 0.000 0.827 57 A CB 1.087 20.044 19.000 -0.073 0.000 1.136 57 A HN 0.980 9.130 8.150 -0.000 0.000 0.493 58 S N 0.934 116.638 115.700 0.006 0.000 2.489 58 S HA 0.259 4.719 4.470 -0.017 0.000 0.291 58 S C 1.152 175.792 174.600 0.067 0.000 1.151 58 S CA -0.428 57.793 58.200 0.034 0.000 1.082 58 S CB 1.415 64.635 63.200 0.034 0.000 1.019 58 S HN 0.814 9.124 8.310 -0.000 0.000 0.492 59 E N 2.310 122.549 120.200 0.065 0.000 2.448 59 E HA -0.241 4.099 4.350 -0.017 0.000 0.203 59 E C 0.099 176.821 176.600 0.204 0.000 1.046 59 E CA 1.597 58.074 56.400 0.129 0.000 0.871 59 E CB -0.349 29.364 29.700 0.023 0.000 0.790 59 E HN 0.848 9.208 8.360 -0.000 0.000 0.545 60 H N -0.021 119.192 119.070 0.238 0.000 2.528 60 H HA 0.111 4.657 4.556 -0.016 0.000 0.282 60 H C 0.356 175.780 175.328 0.160 0.000 1.097 60 H CA 0.368 56.545 56.048 0.215 0.000 1.121 60 H CB 0.565 30.436 29.762 0.182 0.000 1.590 60 H HN 0.242 8.522 8.280 -0.000 0.000 0.553 61 D N -1.028 119.515 120.400 0.239 0.000 2.460 61 D HA -0.109 4.521 4.640 -0.017 0.000 0.263 61 D C 0.128 176.469 176.300 0.069 0.000 1.209 61 D CA -0.337 53.745 54.000 0.136 0.000 0.818 61 D CB -0.489 40.365 40.800 0.090 0.000 1.239 61 D HN 0.121 8.491 8.370 -0.000 0.000 0.530 62 Y N 2.128 122.350 120.300 -0.129 0.000 2.459 62 Y HA 0.386 4.927 4.550 -0.016 0.000 0.349 62 Y C -0.012 175.682 175.900 -0.343 0.000 1.266 62 Y CA 0.370 58.262 58.100 -0.346 0.000 1.483 62 Y CB 0.983 39.025 38.460 -0.696 0.000 1.362 62 Y HN -0.043 8.237 8.280 -0.000 0.000 0.628 63 S N 4.343 119.325 115.700 -1.197 0.000 2.548 63 S HA 0.457 4.917 4.470 -0.017 0.000 0.276 63 S C -1.552 172.477 174.600 -0.951 0.000 1.129 63 S CA -0.946 56.808 58.200 -0.744 0.000 0.931 63 S CB 0.463 63.429 63.200 -0.390 0.000 1.068 63 S HN 0.680 8.990 8.310 -0.000 0.000 0.480 64 L N 4.909 125.902 121.223 -0.383 0.000 2.477 64 L HA 0.292 4.621 4.340 -0.017 0.000 0.272 64 L C 1.057 177.831 176.870 -0.161 0.000 1.157 64 L CA -0.040 54.697 54.840 -0.172 0.000 0.889 64 L CB 0.207 42.286 42.059 0.035 0.000 1.158 64 L HN 0.638 8.868 8.230 -0.000 0.000 0.473 65 R N 4.486 124.921 120.500 -0.110 0.000 2.594 65 R HA 0.089 4.419 4.340 -0.017 0.000 0.272 65 R C -1.362 174.920 176.300 -0.029 0.000 1.074 65 R CA -1.524 54.538 56.100 -0.064 0.000 1.105 65 R CB 0.329 30.617 30.300 -0.020 0.000 1.008 65 R HN 0.379 8.649 8.270 -0.000 0.000 0.472 66 P HA -0.259 4.161 4.420 -0.000 0.000 0.218 66 P C 1.274 178.568 177.300 -0.010 0.000 1.154 66 P CA 1.501 64.590 63.100 -0.019 0.000 0.872 66 P CB 0.150 31.838 31.700 -0.020 0.000 0.790 67 S N -1.441 114.256 115.700 -0.005 0.000 2.402 67 S HA -0.149 4.310 4.470 -0.017 0.000 0.229 67 S C 1.652 176.257 174.600 0.008 0.000 1.021 67 S CA 1.316 59.516 58.200 0.000 0.000 0.974 67 S CB -1.007 62.195 63.200 0.002 0.000 0.800 67 S HN 0.056 8.366 8.310 -0.000 0.000 0.484 68 D N 0.979 121.392 120.400 0.022 0.000 2.104 68 D HA -0.085 4.544 4.640 -0.017 0.000 0.194 68 D C 2.065 178.379 176.300 0.023 0.000 0.994 68 D CA 1.244 55.269 54.000 0.042 0.000 0.830 68 D CB -0.602 40.254 40.800 0.094 0.000 0.959 68 D HN 0.296 8.666 8.370 -0.000 0.000 0.452 69 V N 0.763 120.683 119.914 0.011 0.000 2.469 69 V HA -0.222 3.887 4.120 -0.017 0.000 0.251 69 V C 2.254 178.339 176.094 -0.015 0.000 1.064 69 V CA 1.442 63.739 62.300 -0.006 0.000 1.066 69 V CB -0.287 31.529 31.823 -0.012 0.000 0.667 69 V HN 0.026 8.216 8.190 -0.000 0.000 0.461 70 K N -0.018 120.376 120.400 -0.011 0.000 2.155 70 K HA 0.004 4.314 4.320 -0.017 0.000 0.203 70 K C 2.240 178.831 176.600 -0.015 0.000 1.052 70 K CA 0.941 57.219 56.287 -0.013 0.000 0.948 70 K CB -0.300 32.193 32.500 -0.011 0.000 0.728 70 K HN 0.340 8.590 8.250 -0.000 0.000 0.448 71 R N -0.246 120.247 120.500 -0.011 0.000 2.092 71 R HA -0.075 4.255 4.340 -0.017 0.000 0.231 71 R C 1.925 178.211 176.300 -0.024 0.000 1.119 71 R CA 0.896 56.988 56.100 -0.014 0.000 0.970 71 R CB -0.340 29.955 30.300 -0.008 0.000 0.864 71 R HN 0.052 8.322 8.270 -0.000 0.000 0.440 72 L N 1.145 122.351 121.223 -0.030 0.000 1.976 72 L HA -0.197 4.132 4.340 -0.017 0.000 0.209 72 L C 2.316 179.156 176.870 -0.050 0.000 1.071 72 L CA 1.792 56.602 54.840 -0.050 0.000 0.746 72 L CB -0.536 41.483 42.059 -0.067 0.000 0.890 72 L HN 0.108 8.338 8.230 -0.000 0.000 0.432 73 Q N -0.630 119.144 119.800 -0.043 0.000 2.152 73 Q HA -0.181 4.149 4.340 -0.017 0.000 0.206 73 Q C 0.904 176.886 176.000 -0.031 0.000 0.985 73 Q CA 1.526 57.306 55.803 -0.038 0.000 0.863 73 Q CB -0.232 28.487 28.738 -0.031 0.000 0.904 73 Q HN 0.483 8.753 8.270 -0.000 0.000 0.422 74 N N -0.213 118.471 118.700 -0.027 0.000 2.295 74 N HA 0.214 4.943 4.740 -0.017 0.000 0.221 74 N C -0.842 174.654 175.510 -0.022 0.000 1.129 74 N CA 0.154 53.191 53.050 -0.022 0.000 0.836 74 N CB 0.725 39.202 38.487 -0.018 0.000 1.040 74 N HN 0.109 8.489 8.380 -0.000 0.000 0.494 75 A N -0.053 122.751 122.820 -0.027 0.000 2.312 75 A HA 0.311 4.621 4.320 -0.017 0.000 0.328 75 A C 0.831 178.399 177.584 -0.025 0.000 1.158 75 A CA -0.561 51.460 52.037 -0.027 0.000 0.821 75 A CB 1.221 20.201 19.000 -0.033 0.000 1.170 75 A HN -0.039 8.111 8.150 -0.000 0.000 0.490 76 D N -0.370 120.017 120.400 -0.022 0.000 2.097 76 D HA -0.039 4.591 4.640 -0.017 0.000 0.195 76 D C -0.066 176.221 176.300 -0.023 0.000 0.989 76 D CA 1.787 55.774 54.000 -0.021 0.000 0.827 76 D CB 0.082 40.870 40.800 -0.020 0.000 0.966 76 D HN 0.325 8.695 8.370 -0.000 0.000 0.456 77 L N 0.168 121.377 121.223 -0.023 0.000 2.493 77 L HA 0.306 4.636 4.340 -0.017 0.000 0.265 77 L C -1.368 175.489 176.870 -0.021 0.000 0.954 77 L CA -0.629 54.199 54.840 -0.020 0.000 0.844 77 L CB 2.326 44.375 42.059 -0.017 0.000 1.302 77 L HN -0.347 7.883 8.230 -0.000 0.000 0.405 78 V N 5.151 125.052 119.914 -0.021 0.000 2.435 78 V HA 0.698 4.808 4.120 -0.017 0.000 0.290 78 V C -0.586 175.532 176.094 0.039 0.000 1.030 78 V CA -0.607 61.676 62.300 -0.029 0.000 0.881 78 V CB 1.834 33.596 31.823 -0.102 0.000 0.983 78 V HN 0.522 8.712 8.190 -0.000 0.000 0.445 79 V N 4.985 124.936 119.914 0.063 0.000 2.531 79 V HA 0.669 4.779 4.120 -0.017 0.000 0.301 79 V C -0.755 175.480 176.094 0.235 0.000 1.034 79 V CA -0.457 61.928 62.300 0.142 0.000 0.865 79 V CB 1.738 33.589 31.823 0.048 0.000 0.995 79 V HN 0.998 9.188 8.190 -0.000 0.000 0.424 80 W N 3.557 124.815 121.300 -0.070 0.000 3.003 80 W HA 0.717 5.366 4.660 -0.018 0.000 0.362 80 W C -0.320 176.169 176.519 -0.049 0.000 1.213 80 W CA -1.033 56.262 57.345 -0.084 0.000 1.157 80 W CB 0.613 30.003 29.460 -0.116 0.000 1.493 80 W HN 0.188 8.368 8.180 -0.000 0.000 0.589 81 V N 1.663 121.488 119.914 -0.149 0.000 2.446 81 V HA 0.441 4.551 4.120 -0.017 0.000 0.244 81 V C 1.077 176.757 176.094 -0.691 0.000 1.039 81 V CA 2.220 64.355 62.300 -0.275 0.000 1.045 81 V CB -0.739 31.063 31.823 -0.034 0.000 0.681 81 V HN 1.157 9.347 8.190 -0.000 0.000 0.459 82 G N -1.120 107.014 108.800 -1.110 0.000 2.359 82 G HA2 0.091 4.041 3.960 -0.017 0.000 0.314 82 G HA3 0.091 4.041 3.960 -0.017 0.000 0.314 82 G C -2.608 171.797 174.900 -0.825 0.000 1.364 82 G CA -0.035 44.159 45.100 -1.509 0.000 0.978 82 G HN -0.059 8.231 8.290 -0.000 0.000 0.615 83 P HA -0.119 4.301 4.420 -0.000 0.000 0.215 83 P C 1.176 178.494 177.300 0.030 0.000 1.157 83 P CA 1.767 64.877 63.100 0.017 0.000 0.874 83 P CB 0.061 31.793 31.700 0.053 0.000 0.790 84 E N -1.856 118.333 120.200 -0.018 0.000 2.463 84 E HA -0.127 4.213 4.350 -0.017 0.000 0.201 84 E C 1.698 178.359 176.600 0.103 0.000 1.045 84 E CA 0.651 57.078 56.400 0.045 0.000 0.872 84 E CB -0.257 29.469 29.700 0.043 0.000 0.797 84 E HN 0.240 8.600 8.360 -0.000 0.000 0.538 85 M N 0.074 119.719 119.600 0.075 0.000 3.207 85 M HA 0.089 4.559 4.480 -0.017 0.000 0.202 85 M C -0.407 175.987 176.300 0.158 0.000 1.730 85 M CA 0.919 56.305 55.300 0.144 0.000 1.461 85 M CB 0.622 33.248 32.600 0.044 0.000 1.013 85 M HN -0.315 7.974 8.290 -0.000 0.000 0.592 86 E N 1.677 121.894 120.200 0.030 0.000 2.261 86 E HA 0.423 4.763 4.350 -0.017 0.000 0.308 86 E C 1.098 177.610 176.600 -0.146 0.000 1.400 86 E CA 0.437 56.704 56.400 -0.223 0.000 1.542 86 E CB -0.560 28.825 29.700 -0.524 0.000 1.369 86 E HN 0.519 8.879 8.360 -0.000 0.000 0.493 87 A N 1.708 124.597 122.820 0.114 0.000 1.985 87 A HA -0.274 4.036 4.320 -0.017 0.000 0.223 87 A C 1.640 179.301 177.584 0.128 0.000 1.189 87 A CA 1.690 53.824 52.037 0.161 0.000 0.658 87 A CB -1.071 18.048 19.000 0.199 0.000 0.820 87 A HN 0.716 8.866 8.150 -0.000 0.000 0.464 88 F N -2.792 117.262 119.950 0.174 0.000 2.772 88 F HA 0.389 4.905 4.527 -0.018 0.000 0.302 88 F C 1.231 177.065 175.800 0.056 0.000 1.225 88 F CA 0.471 58.537 58.000 0.109 0.000 1.429 88 F CB -0.340 38.739 39.000 0.132 0.000 1.104 88 F HN 0.101 8.401 8.300 -0.000 0.000 0.550 89 M N -0.656 118.815 119.600 -0.215 0.000 2.268 89 M HA 0.083 4.553 4.480 -0.017 0.000 0.355 89 M C 1.549 177.589 176.300 -0.433 0.000 0.938 89 M CA 0.087 55.179 55.300 -0.347 0.000 1.025 89 M CB 0.370 32.595 32.600 -0.625 0.000 1.773 89 M HN 0.161 8.451 8.290 -0.000 0.000 0.613 90 Q N 1.259 120.967 119.800 -0.154 0.000 1.978 90 Q HA -0.238 4.092 4.340 -0.017 0.000 0.211 90 Q C 1.764 177.696 176.000 -0.112 0.000 1.013 90 Q CA 1.736 57.517 55.803 -0.037 0.000 0.869 90 Q CB -0.265 28.533 28.738 0.099 0.000 0.953 90 Q HN 0.350 8.620 8.270 -0.000 0.000 0.415 91 K N -0.168 120.194 120.400 -0.063 0.000 1.977 91 K HA -0.164 4.146 4.320 -0.017 0.000 0.218 91 K C -0.415 176.130 176.600 -0.091 0.000 1.051 91 K CA 1.790 58.045 56.287 -0.052 0.000 0.953 91 K CB -1.760 30.726 32.500 -0.022 0.000 0.727 91 K HN 0.306 8.556 8.250 -0.000 0.000 0.445 92 P HA -0.065 4.355 4.420 -0.000 0.000 0.218 92 P C 1.823 179.021 177.300 -0.169 0.000 1.149 92 P CA 0.992 64.022 63.100 -0.118 0.000 0.817 92 P CB -0.026 31.611 31.700 -0.105 0.000 0.785 93 V N 1.458 121.199 119.914 -0.288 0.000 2.358 93 V HA -0.186 3.924 4.120 -0.017 0.000 0.246 93 V C 2.892 178.881 176.094 -0.175 0.000 1.047 93 V CA 2.375 64.467 62.300 -0.348 0.000 1.035 93 V CB -1.580 29.772 31.823 -0.784 0.000 0.658 93 V HN 0.291 8.481 8.190 -0.000 0.000 0.452 94 S N 0.248 115.874 115.700 -0.123 0.000 2.465 94 S HA -0.230 4.230 4.470 -0.017 0.000 0.241 94 S C 1.672 176.254 174.600 -0.030 0.000 1.000 94 S CA 1.429 59.609 58.200 -0.034 0.000 0.964 94 S CB -0.445 62.750 63.200 -0.009 0.000 0.763 94 S HN 0.708 9.018 8.310 -0.000 0.000 0.512 95 K N 0.342 120.711 120.400 -0.052 0.000 2.393 95 K HA 0.325 4.635 4.320 -0.017 0.000 0.193 95 K C 0.069 176.647 176.600 -0.037 0.000 1.026 95 K CA -0.048 56.216 56.287 -0.038 0.000 1.064 95 K CB 0.021 32.497 32.500 -0.040 0.000 0.833 95 K HN 0.401 8.651 8.250 -0.000 0.000 0.521 96 L N 3.354 124.548 121.223 -0.049 0.000 2.375 96 L HA 0.252 4.582 4.340 -0.017 0.000 0.271 96 L C -1.932 174.926 176.870 -0.019 0.000 1.107 96 L CA -2.224 52.592 54.840 -0.039 0.000 0.806 96 L CB 0.050 42.075 42.059 -0.056 0.000 1.146 96 L HN -0.068 8.162 8.230 -0.000 0.000 0.447 97 P HA 0.036 4.456 4.420 -0.000 0.000 0.272 97 P C 0.750 178.052 177.300 0.003 0.000 1.223 97 P CA -0.256 62.841 63.100 -0.004 0.000 0.784 97 P CB 0.852 32.548 31.700 -0.007 0.000 0.923 98 G N 2.176 110.982 108.800 0.010 0.000 2.547 98 G HA2 -0.354 3.596 3.960 -0.017 0.000 0.221 98 G HA3 -0.354 3.596 3.960 -0.017 0.000 0.221 98 G C 1.527 176.435 174.900 0.013 0.000 1.140 98 G CA 0.990 46.101 45.100 0.018 0.000 0.760 98 G HN 0.644 8.934 8.290 -0.000 0.000 0.583 99 A N -0.088 122.733 122.820 0.003 0.000 2.131 99 A HA 0.042 4.352 4.320 -0.017 0.000 0.220 99 A C 2.045 179.627 177.584 -0.004 0.000 1.158 99 A CA 1.642 53.677 52.037 -0.003 0.000 0.665 99 A CB -0.165 18.831 19.000 -0.008 0.000 0.795 99 A HN 0.414 8.564 8.150 -0.000 0.000 0.460 100 K N -0.699 119.699 120.400 -0.003 0.000 2.498 100 K HA 0.137 4.447 4.320 -0.017 0.000 0.207 100 K C 0.038 176.637 176.600 -0.002 0.000 1.033 100 K CA -0.068 56.213 56.287 -0.009 0.000 1.138 100 K CB 0.425 32.913 32.500 -0.019 0.000 0.860 100 K HN 0.468 8.718 8.250 -0.000 0.000 0.490 101 Q N 0.904 120.716 119.800 0.021 0.000 2.327 101 Q HA 0.176 4.506 4.340 -0.017 0.000 0.265 101 Q C -1.996 174.058 176.000 0.090 0.000 0.993 101 Q CA -0.488 55.349 55.803 0.058 0.000 0.885 101 Q CB 2.104 30.879 28.738 0.061 0.000 1.379 101 Q HN -0.058 8.212 8.270 -0.000 0.000 0.408 102 V N 3.464 123.453 119.914 0.125 0.000 2.376 102 V HA 0.399 4.509 4.120 -0.017 0.000 0.287 102 V C -0.349 175.836 176.094 0.152 0.000 1.015 102 V CA -0.351 62.007 62.300 0.097 0.000 0.834 102 V CB 1.786 33.636 31.823 0.045 0.000 1.001 102 V HN 0.809 8.999 8.190 -0.000 0.000 0.428 103 T N 6.696 121.291 114.554 0.069 0.000 2.891 103 T HA 0.379 4.719 4.350 -0.017 0.000 0.315 103 T C 1.551 176.121 174.700 -0.216 0.000 1.054 103 T CA -0.157 61.830 62.100 -0.188 0.000 0.958 103 T CB 0.454 69.219 68.868 -0.172 0.000 1.008 103 T HN 0.416 8.656 8.240 -0.000 0.000 0.521 104 I N 1.947 122.388 120.570 -0.216 0.000 2.151 104 I HA -0.256 3.904 4.170 -0.017 0.000 0.243 104 I C 2.722 178.736 176.117 -0.172 0.000 1.080 104 I CA 1.423 62.634 61.300 -0.149 0.000 1.339 104 I CB -0.381 37.558 38.000 -0.102 0.000 1.039 104 I HN 0.626 8.836 8.210 -0.000 0.000 0.409 105 A N -0.427 122.253 122.820 -0.234 0.000 2.172 105 A HA -0.175 4.135 4.320 -0.017 0.000 0.216 105 A C 2.128 179.595 177.584 -0.196 0.000 1.154 105 A CA 1.271 53.181 52.037 -0.212 0.000 0.701 105 A CB -0.404 18.458 19.000 -0.230 0.000 0.789 105 A HN 0.555 8.705 8.150 -0.000 0.000 0.465 106 Q N -0.851 118.839 119.800 -0.183 0.000 2.282 106 Q HA 0.307 4.637 4.340 -0.017 0.000 0.206 106 Q C -0.389 175.551 176.000 -0.101 0.000 0.878 106 Q CA -0.374 55.347 55.803 -0.137 0.000 0.944 106 Q CB 0.236 28.903 28.738 -0.119 0.000 1.100 106 Q HN 0.573 8.843 8.270 -0.000 0.000 0.509 107 L N 1.552 122.716 121.223 -0.099 0.000 2.490 107 L HA -0.068 4.262 4.340 -0.017 0.000 0.274 107 L C 1.588 178.417 176.870 -0.069 0.000 1.201 107 L CA 0.172 54.969 54.840 -0.071 0.000 0.869 107 L CB 0.422 42.441 42.059 -0.066 0.000 1.123 107 L HN 0.247 8.477 8.230 -0.000 0.000 0.484 108 E N 1.468 121.638 120.200 -0.050 0.000 2.086 108 E HA -0.277 4.063 4.350 -0.017 0.000 0.205 108 E C 1.049 177.620 176.600 -0.048 0.000 1.027 108 E CA 2.110 58.483 56.400 -0.045 0.000 0.830 108 E CB 0.191 29.873 29.700 -0.030 0.000 0.751 108 E HN 0.698 9.058 8.360 -0.000 0.000 0.456 109 D N -0.659 119.715 120.400 -0.043 0.000 2.317 109 D HA -0.066 4.564 4.640 -0.017 0.000 0.211 109 D C 1.862 178.131 176.300 -0.052 0.000 0.966 109 D CA 0.368 54.345 54.000 -0.040 0.000 0.876 109 D CB 0.307 41.089 40.800 -0.029 0.000 0.927 109 D HN 0.086 8.456 8.370 -0.000 0.000 0.519 110 V N 1.067 120.938 119.914 -0.070 0.000 2.407 110 V HA -0.178 3.932 4.120 -0.017 0.000 0.245 110 V C 2.307 178.337 176.094 -0.107 0.000 1.041 110 V CA 1.148 63.392 62.300 -0.093 0.000 1.040 110 V CB -0.244 31.513 31.823 -0.111 0.000 0.671 110 V HN 0.082 8.272 8.190 -0.000 0.000 0.455 111 K N 0.618 120.947 120.400 -0.118 0.000 2.052 111 K HA -0.191 4.119 4.320 -0.017 0.000 0.215 111 K C -0.229 176.297 176.600 -0.124 0.000 1.053 111 K CA 2.203 58.397 56.287 -0.154 0.000 0.934 111 K CB -1.431 30.986 32.500 -0.138 0.000 0.717 111 K HN 0.472 8.722 8.250 -0.000 0.000 0.450 112 P HA -0.097 4.323 4.420 -0.000 0.000 0.239 112 P C 0.667 177.966 177.300 -0.002 0.000 1.184 112 P CA 1.118 64.200 63.100 -0.030 0.000 0.760 112 P CB 0.035 31.724 31.700 -0.020 0.000 0.884 113 L N -1.569 119.646 121.223 -0.013 0.000 2.585 113 L HA 0.162 4.492 4.340 -0.017 0.000 0.226 113 L C 1.196 178.145 176.870 0.133 0.000 1.113 113 L CA -0.253 54.608 54.840 0.035 0.000 0.876 113 L CB -0.307 41.742 42.059 -0.017 0.000 1.072 113 L HN -0.122 8.108 8.230 -0.000 0.000 0.468 114 L N 0.914 122.184 121.223 0.078 0.000 2.485 114 L HA 0.076 4.406 4.340 -0.017 0.000 0.275 114 L C 0.056 177.154 176.870 0.379 0.000 1.207 114 L CA 0.685 55.647 54.840 0.204 0.000 0.855 114 L CB 0.533 42.494 42.059 -0.163 0.000 1.114 114 L HN 0.193 8.423 8.230 -0.000 0.000 0.485 115 M N 2.871 122.723 119.600 0.421 0.000 2.436 115 M HA 0.344 4.814 4.480 -0.017 0.000 0.331 115 M C -0.254 176.131 176.300 0.142 0.000 1.135 115 M CA -0.574 54.819 55.300 0.154 0.000 0.987 115 M CB 1.893 34.339 32.600 -0.257 0.000 1.687 115 M HN 0.523 8.813 8.290 -0.000 0.000 0.445 116 K N 1.151 121.555 120.400 0.006 0.000 2.273 116 K HA 0.555 4.864 4.320 -0.017 0.000 0.240 116 K C 0.050 176.584 176.600 -0.110 0.000 1.056 116 K CA 0.016 56.212 56.287 -0.152 0.000 0.910 116 K CB 0.781 33.150 32.500 -0.219 0.000 1.196 116 K HN 0.863 9.113 8.250 -0.000 0.000 0.509 138 G N 2.191 111.163 108.800 0.287 0.000 3.396 138 G HA2 -0.133 3.817 3.960 -0.017 0.000 0.682 138 G HA3 -0.133 3.817 3.960 -0.017 0.000 0.682 138 G C -0.121 174.909 174.900 0.216 0.000 0.924 138 G CA 0.604 45.822 45.100 0.195 0.000 0.770 138 G HN 0.666 8.956 8.290 -0.000 0.000 0.484 139 D N 0.648 121.100 120.400 0.086 0.000 2.473 139 D HA 0.245 4.875 4.640 -0.017 0.000 0.242 139 D C 0.512 176.676 176.300 -0.228 0.000 1.106 139 D CA -0.196 53.751 54.000 -0.088 0.000 0.854 139 D CB 0.211 40.853 40.800 -0.263 0.000 1.192 139 D HN 0.419 8.789 8.370 -0.000 0.000 0.503 140 F N 1.702 121.678 119.950 0.044 0.000 2.396 140 F HA 0.298 4.815 4.527 -0.017 0.000 0.343 140 F C 0.973 176.807 175.800 0.056 0.000 1.104 140 F CA -1.224 56.801 58.000 0.043 0.000 1.161 140 F CB 0.600 39.627 39.000 0.046 0.000 1.146 140 F HN -0.189 8.111 8.300 -0.000 0.000 0.522 141 N N 3.612 122.447 118.700 0.225 0.000 2.475 141 N HA 0.039 4.768 4.740 -0.017 0.000 0.267 141 N C 0.052 175.738 175.510 0.293 0.000 1.169 141 N CA 0.223 53.377 53.050 0.172 0.000 0.947 141 N CB 0.597 39.056 38.487 -0.047 0.000 1.061 141 N HN 0.552 8.932 8.380 -0.000 0.000 0.466 142 M N 2.497 122.196 119.600 0.165 0.000 2.405 142 M HA 0.052 4.522 4.480 -0.017 0.000 0.292 142 M C -0.427 175.805 176.300 -0.113 0.000 1.111 142 M CA -0.143 55.187 55.300 0.050 0.000 0.979 142 M CB -0.601 32.000 32.600 0.001 0.000 1.426 142 M HN 0.481 8.771 8.290 -0.000 0.000 0.509 143 H N 0.849 119.886 119.070 -0.055 0.000 2.998 143 H HA 0.220 4.766 4.556 -0.018 0.000 0.241 143 H C 1.301 176.214 175.328 -0.692 0.000 1.852 143 H CA 0.079 55.757 56.048 -0.617 0.000 1.419 143 H CB -0.247 29.181 29.762 -0.557 0.000 1.793 143 H HN 0.218 8.498 8.280 -0.000 0.000 0.553 144 L N -0.016 120.971 121.223 -0.394 0.000 2.270 144 L HA -0.039 4.291 4.340 -0.017 0.000 0.210 144 L C 1.496 178.312 176.870 -0.091 0.000 1.104 144 L CA 0.328 55.009 54.840 -0.265 0.000 0.804 144 L CB -0.245 41.737 42.059 -0.127 0.000 0.937 144 L HN 0.714 8.944 8.230 -0.000 0.000 0.450 145 W N -0.428 120.981 121.300 0.182 0.000 2.848 145 W HA 0.054 4.701 4.660 -0.021 0.000 0.241 145 W C 1.138 177.996 176.519 0.565 0.000 1.289 145 W CA 0.059 57.605 57.345 0.335 0.000 1.396 145 W CB -0.781 28.870 29.460 0.318 0.000 1.138 145 W HN -0.027 8.153 8.180 -0.000 0.000 0.677 146 L N 1.359 122.624 121.223 0.070 0.000 2.628 146 L HA 0.189 4.519 4.340 -0.017 0.000 0.229 146 L C 0.945 178.025 176.870 0.350 0.000 1.137 146 L CA 0.010 55.016 54.840 0.276 0.000 0.909 146 L CB -0.142 41.990 42.059 0.123 0.000 1.137 146 L HN -0.022 8.208 8.230 -0.000 0.000 0.470 147 S N -0.051 115.771 115.700 0.204 0.000 2.520 147 S HA 0.345 4.805 4.470 -0.017 0.000 0.324 147 S C -1.756 172.957 174.600 0.189 0.000 1.069 147 S CA -1.534 56.734 58.200 0.113 0.000 1.121 147 S CB 1.263 64.331 63.200 -0.221 0.000 0.971 147 S HN -0.120 8.190 8.310 -0.000 0.000 0.463 148 P HA -0.138 4.282 4.420 -0.000 0.000 0.215 148 P C 1.348 178.733 177.300 0.141 0.000 1.157 148 P CA 0.969 64.229 63.100 0.266 0.000 0.874 148 P CB 0.181 31.990 31.700 0.182 0.000 0.790 149 E N -0.295 119.938 120.200 0.056 0.000 2.108 149 E HA -0.215 4.125 4.350 -0.017 0.000 0.203 149 E C 1.852 178.459 176.600 0.012 0.000 1.022 149 E CA 1.515 57.926 56.400 0.018 0.000 0.823 149 E CB -1.023 28.667 29.700 -0.018 0.000 0.744 149 E HN 0.179 8.539 8.360 -0.000 0.000 0.456 150 I N -0.216 120.344 120.570 -0.018 0.000 2.286 150 I HA -0.215 3.945 4.170 -0.017 0.000 0.245 150 I C 2.377 178.495 176.117 0.002 0.000 1.104 150 I CA 0.795 62.067 61.300 -0.047 0.000 1.397 150 I CB -0.459 37.454 38.000 -0.146 0.000 1.072 150 I HN 0.180 8.390 8.210 -0.000 0.000 0.417 151 A N 0.954 123.808 122.820 0.058 0.000 1.917 151 A HA -0.289 4.021 4.320 -0.017 0.000 0.219 151 A C 2.396 180.043 177.584 0.105 0.000 1.182 151 A CA 2.048 54.108 52.037 0.038 0.000 0.633 151 A CB -0.675 18.318 19.000 -0.012 0.000 0.819 151 A HN 0.314 8.464 8.150 -0.000 0.000 0.448 152 R N -0.766 119.832 120.500 0.164 0.000 2.066 152 R HA -0.047 4.282 4.340 -0.017 0.000 0.232 152 R C 2.452 178.787 176.300 0.058 0.000 1.131 152 R CA 1.441 57.651 56.100 0.185 0.000 0.955 152 R CB -0.462 29.918 30.300 0.132 0.000 0.851 152 R HN 0.478 8.748 8.270 -0.000 0.000 0.432 153 A N -0.331 122.499 122.820 0.018 0.000 1.940 153 A HA -0.179 4.131 4.320 -0.017 0.000 0.219 153 A C 2.115 179.679 177.584 -0.034 0.000 1.176 153 A CA 2.163 54.192 52.037 -0.013 0.000 0.631 153 A CB -0.922 18.062 19.000 -0.026 0.000 0.814 153 A HN 0.443 8.593 8.150 -0.000 0.000 0.446 154 T N 0.357 114.882 114.554 -0.049 0.000 2.708 154 T HA -0.020 4.319 4.350 -0.017 0.000 0.266 154 T C 2.250 176.878 174.700 -0.120 0.000 1.037 154 T CA 1.633 63.687 62.100 -0.077 0.000 1.146 154 T CB -0.534 68.285 68.868 -0.082 0.000 0.865 154 T HN 0.618 8.858 8.240 -0.000 0.000 0.435 155 A N 1.192 123.889 122.820 -0.204 0.000 1.883 155 A HA -0.078 4.231 4.320 -0.017 0.000 0.217 155 A C 2.612 180.129 177.584 -0.112 0.000 1.186 155 A CA 1.569 53.429 52.037 -0.295 0.000 0.624 155 A CB -1.177 17.470 19.000 -0.589 0.000 0.822 155 A HN 0.342 8.492 8.150 -0.000 0.000 0.444 156 V N -0.071 119.806 119.914 -0.061 0.000 2.252 156 V HA -0.312 3.798 4.120 -0.017 0.000 0.249 156 V C 3.084 179.206 176.094 0.045 0.000 1.056 156 V CA 2.214 64.511 62.300 -0.006 0.000 1.022 156 V CB -1.402 30.414 31.823 -0.010 0.000 0.641 156 V HN 0.640 8.830 8.190 -0.000 0.000 0.445 157 A N -0.320 122.503 122.820 0.006 0.000 1.908 157 A HA -0.207 4.102 4.320 -0.017 0.000 0.218 157 A C 2.184 179.774 177.584 0.009 0.000 1.181 157 A CA 2.167 54.208 52.037 0.007 0.000 0.627 157 A CB -0.613 18.381 19.000 -0.012 0.000 0.818 157 A HN 0.537 8.687 8.150 -0.000 0.000 0.445 158 I N -1.531 119.034 120.570 -0.008 0.000 2.252 158 I HA -0.257 3.902 4.170 -0.017 0.000 0.245 158 I C 2.476 178.599 176.117 0.010 0.000 1.102 158 I CA 1.771 63.062 61.300 -0.015 0.000 1.385 158 I CB -0.471 37.496 38.000 -0.055 0.000 1.064 158 I HN 0.606 8.816 8.210 -0.000 0.000 0.414 159 H N 0.877 119.908 119.070 -0.065 0.000 2.352 159 H HA -0.143 4.404 4.556 -0.015 0.000 0.299 159 H C 2.191 177.501 175.328 -0.029 0.000 1.097 159 H CA 1.950 57.971 56.048 -0.046 0.000 1.311 159 H CB -0.442 29.294 29.762 -0.043 0.000 1.377 159 H HN 0.255 8.535 8.280 -0.000 0.000 0.504 160 G N 0.841 109.654 108.800 0.022 0.000 2.459 160 G HA2 -0.252 3.698 3.960 -0.017 0.000 0.217 160 G HA3 -0.252 3.698 3.960 -0.017 0.000 0.217 160 G C 1.608 176.465 174.900 -0.071 0.000 1.183 160 G CA 0.824 45.906 45.100 -0.030 0.000 0.776 160 G HN 0.285 8.575 8.290 -0.000 0.000 0.552 161 K N 0.238 120.611 120.400 -0.045 0.000 2.025 161 K HA 0.095 4.405 4.320 -0.017 0.000 0.207 161 K C 2.596 179.159 176.600 -0.061 0.000 1.049 161 K CA 0.541 56.803 56.287 -0.041 0.000 0.933 161 K CB -0.695 31.791 32.500 -0.022 0.000 0.714 161 K HN 0.324 8.574 8.250 -0.000 0.000 0.438 162 L N 0.556 121.733 121.223 -0.076 0.000 2.017 162 L HA -0.150 4.180 4.340 -0.017 0.000 0.208 162 L C 2.521 179.327 176.870 -0.107 0.000 1.073 162 L CA 0.799 55.590 54.840 -0.080 0.000 0.745 162 L CB -0.520 41.496 42.059 -0.072 0.000 0.894 162 L HN -0.053 8.177 8.230 -0.000 0.000 0.432 163 V N -0.288 119.518 119.914 -0.180 0.000 2.594 163 V HA -0.226 3.884 4.120 -0.017 0.000 0.253 163 V C 2.516 178.544 176.094 -0.111 0.000 1.069 163 V CA 1.545 63.732 62.300 -0.188 0.000 1.082 163 V CB -0.289 31.333 31.823 -0.336 0.000 0.680 163 V HN 0.423 8.613 8.190 -0.000 0.000 0.469 164 E N -0.255 119.890 120.200 -0.091 0.000 2.106 164 E HA -0.139 4.200 4.350 -0.017 0.000 0.192 164 E C 2.073 178.646 176.600 -0.045 0.000 0.984 164 E CA 1.298 57.664 56.400 -0.057 0.000 0.806 164 E CB -0.076 29.598 29.700 -0.044 0.000 0.750 164 E HN 0.559 8.919 8.360 -0.000 0.000 0.458 165 L N -0.864 120.330 121.223 -0.047 0.000 2.145 165 L HA 0.072 4.402 4.340 -0.017 0.000 0.201 165 L C 1.249 178.098 176.870 -0.035 0.000 1.075 165 L CA 0.508 55.326 54.840 -0.036 0.000 0.773 165 L CB 0.011 42.050 42.059 -0.033 0.000 0.936 165 L HN -0.037 8.193 8.230 -0.000 0.000 0.451 166 M N 0.635 120.209 119.600 -0.043 0.000 2.741 166 M HA 0.214 4.684 4.480 -0.017 0.000 0.283 166 M C -1.930 174.346 176.300 -0.041 0.000 1.176 166 M CA -1.340 53.938 55.300 -0.036 0.000 1.139 166 M CB 1.213 33.793 32.600 -0.034 0.000 1.234 166 M HN -0.191 8.099 8.290 -0.000 0.000 0.497 167 P HA -0.082 4.338 4.420 -0.000 0.000 0.235 167 P C 0.942 178.229 177.300 -0.022 0.000 1.177 167 P CA 0.736 63.816 63.100 -0.033 0.000 0.785 167 P CB 0.067 31.751 31.700 -0.026 0.000 0.885 168 Q N -0.292 119.498 119.800 -0.017 0.000 2.123 168 Q HA -0.021 4.309 4.340 -0.017 0.000 0.199 168 Q C 1.451 177.446 176.000 -0.008 0.000 0.966 168 Q CA 1.583 57.380 55.803 -0.010 0.000 0.845 168 Q CB -1.175 27.558 28.738 -0.008 0.000 0.907 168 Q HN 0.031 8.301 8.270 -0.000 0.000 0.439 169 S N 0.859 116.551 115.700 -0.013 0.000 2.631 169 S HA 0.068 4.528 4.470 -0.017 0.000 0.217 169 S C 1.351 175.944 174.600 -0.011 0.000 0.958 169 S CA 0.186 58.380 58.200 -0.009 0.000 0.920 169 S CB -0.072 63.120 63.200 -0.013 0.000 0.776 169 S HN 0.416 8.726 8.310 -0.000 0.000 0.517 170 R N 2.039 122.528 120.500 -0.018 0.000 2.174 170 R HA -0.232 4.098 4.340 -0.017 0.000 0.253 170 R C 2.029 178.342 176.300 0.021 0.000 1.165 170 R CA 1.717 57.807 56.100 -0.017 0.000 0.984 170 R CB -0.491 29.801 30.300 -0.013 0.000 0.873 170 R HN 0.431 8.701 8.270 -0.000 0.000 0.456 171 A N 0.806 123.639 122.820 0.023 0.000 1.872 171 A HA -0.120 4.189 4.320 -0.017 0.000 0.214 171 A C 2.078 179.688 177.584 0.044 0.000 1.187 171 A CA 1.457 53.515 52.037 0.034 0.000 0.614 171 A CB -0.405 18.609 19.000 0.024 0.000 0.826 171 A HN 0.316 8.466 8.150 -0.000 0.000 0.442 172 K N -0.144 120.277 120.400 0.035 0.000 2.147 172 K HA -0.010 4.300 4.320 -0.017 0.000 0.205 172 K C 1.696 178.332 176.600 0.060 0.000 1.049 172 K CA 1.261 57.572 56.287 0.040 0.000 0.936 172 K CB -0.419 32.098 32.500 0.028 0.000 0.722 172 K HN 0.479 8.729 8.250 -0.000 0.000 0.446 173 L N 0.038 121.301 121.223 0.067 0.000 2.095 173 L HA -0.122 4.208 4.340 -0.017 0.000 0.204 173 L C 1.872 178.887 176.870 0.242 0.000 1.080 173 L CA 1.044 55.955 54.840 0.118 0.000 0.759 173 L CB -0.393 41.680 42.059 0.024 0.000 0.914 173 L HN 0.165 8.395 8.230 -0.000 0.000 0.439 174 D N 0.309 120.851 120.400 0.236 0.000 2.123 174 D HA -0.185 4.445 4.640 -0.017 0.000 0.196 174 D C 2.165 178.521 176.300 0.094 0.000 0.992 174 D CA 1.592 55.722 54.000 0.217 0.000 0.833 174 D CB 0.055 40.944 40.800 0.147 0.000 0.954 174 D HN 0.329 8.699 8.370 -0.000 0.000 0.455 175 A N 0.995 123.865 122.820 0.083 0.000 1.872 175 A HA -0.176 4.134 4.320 -0.017 0.000 0.214 175 A C 2.028 179.653 177.584 0.069 0.000 1.187 175 A CA 1.234 53.308 52.037 0.061 0.000 0.614 175 A CB -0.497 18.534 19.000 0.052 0.000 0.826 175 A HN 0.098 8.248 8.150 -0.000 0.000 0.442 176 N N -0.012 118.738 118.700 0.082 0.000 2.060 176 N HA -0.196 4.534 4.740 -0.017 0.000 0.195 176 N C 1.580 177.151 175.510 0.102 0.000 1.028 176 N CA 1.725 54.831 53.050 0.093 0.000 0.861 176 N CB -0.649 37.890 38.487 0.087 0.000 1.029 176 N HN 0.417 8.797 8.380 -0.000 0.000 0.428 177 L N 1.549 122.810 121.223 0.063 0.000 2.046 177 L HA -0.094 4.235 4.340 -0.017 0.000 0.208 177 L C 2.076 178.976 176.870 0.051 0.000 1.077 177 L CA 1.822 56.659 54.840 -0.005 0.000 0.747 177 L CB -0.590 41.299 42.059 -0.284 0.000 0.896 177 L HN 0.104 8.334 8.230 -0.000 0.000 0.432 178 K N -0.985 119.432 120.400 0.029 0.000 2.148 178 K HA -0.172 4.138 4.320 -0.017 0.000 0.204 178 K C 1.646 178.286 176.600 0.067 0.000 1.050 178 K CA 1.519 57.827 56.287 0.036 0.000 0.942 178 K CB -0.051 32.461 32.500 0.020 0.000 0.724 178 K HN 0.348 8.598 8.250 -0.000 0.000 0.446 179 D N 0.087 120.540 120.400 0.089 0.000 2.097 179 D HA -0.156 4.474 4.640 -0.017 0.000 0.197 179 D C 1.508 177.887 176.300 0.132 0.000 0.984 179 D CA 0.930 54.988 54.000 0.097 0.000 0.826 179 D CB -0.246 40.614 40.800 0.101 0.000 0.973 179 D HN 0.182 8.552 8.370 -0.000 0.000 0.460 180 F N 1.489 121.459 119.950 0.034 0.000 2.069 180 F HA -0.208 4.320 4.527 0.000 0.000 0.298 180 F C 2.334 178.164 175.800 0.051 0.000 1.113 180 F CA 1.782 59.813 58.000 0.052 0.000 1.214 180 F CB -0.071 38.953 39.000 0.039 0.000 0.978 180 F HN -0.106 8.194 8.300 -0.000 0.000 0.474 181 E N 0.085 120.367 120.200 0.136 0.000 2.085 181 E HA -0.224 4.115 4.350 -0.017 0.000 0.194 181 E C 2.141 178.713 176.600 -0.047 0.000 0.994 181 E CA 1.409 57.828 56.400 0.032 0.000 0.801 181 E CB -0.360 29.388 29.700 0.079 0.000 0.743 181 E HN 0.477 8.837 8.360 -0.000 0.000 0.453 182 A N -0.059 122.750 122.820 -0.018 0.000 1.970 182 A HA -0.138 4.172 4.320 -0.017 0.000 0.216 182 A C 2.086 179.646 177.584 -0.040 0.000 1.170 182 A CA 1.294 53.319 52.037 -0.020 0.000 0.645 182 A CB -0.376 18.624 19.000 0.001 0.000 0.816 182 A HN 0.229 8.379 8.150 -0.000 0.000 0.447 183 Q N -0.704 119.060 119.800 -0.059 0.000 2.079 183 Q HA -0.081 4.249 4.340 -0.017 0.000 0.200 183 Q C 1.878 177.811 176.000 -0.112 0.000 0.974 183 Q CA 1.464 57.225 55.803 -0.070 0.000 0.840 183 Q CB -0.406 28.300 28.738 -0.053 0.000 0.898 183 Q HN 0.502 8.772 8.270 -0.000 0.000 0.430 184 L N 0.028 121.117 121.223 -0.223 0.000 2.056 184 L HA -0.014 4.316 4.340 -0.017 0.000 0.207 184 L C 2.010 178.839 176.870 -0.068 0.000 1.078 184 L CA 2.133 56.859 54.840 -0.190 0.000 0.749 184 L CB -1.163 40.673 42.059 -0.371 0.000 0.901 184 L HN 0.232 8.462 8.230 -0.000 0.000 0.433 185 A N -1.325 121.457 122.820 -0.063 0.000 1.892 185 A HA -0.241 4.069 4.320 -0.017 0.000 0.218 185 A C 2.390 179.967 177.584 -0.012 0.000 1.188 185 A CA 2.323 54.345 52.037 -0.026 0.000 0.631 185 A CB -1.075 17.912 19.000 -0.023 0.000 0.822 185 A HN 0.543 8.693 8.150 -0.000 0.000 0.447 186 S N -0.478 115.210 115.700 -0.020 0.000 2.348 186 S HA -0.137 4.323 4.470 -0.017 0.000 0.221 186 S C 2.085 176.677 174.600 -0.012 0.000 1.033 186 S CA 1.764 59.955 58.200 -0.015 0.000 1.010 186 S CB -0.787 62.401 63.200 -0.019 0.000 0.891 186 S HN 0.708 9.018 8.310 -0.000 0.000 0.442 187 T N 2.480 117.022 114.554 -0.020 0.000 2.624 187 T HA -0.204 4.136 4.350 -0.017 0.000 0.268 187 T C 1.696 176.402 174.700 0.011 0.000 1.041 187 T CA 1.628 63.715 62.100 -0.022 0.000 1.159 187 T CB -0.533 68.317 68.868 -0.030 0.000 0.863 187 T HN 0.488 8.728 8.240 -0.000 0.000 0.434 188 E N 0.220 120.459 120.200 0.066 0.000 2.097 188 E HA -0.149 4.191 4.350 -0.017 0.000 0.196 188 E C 2.484 179.172 176.600 0.146 0.000 1.000 188 E CA 1.534 58.038 56.400 0.173 0.000 0.804 188 E CB -0.235 29.528 29.700 0.104 0.000 0.740 188 E HN 0.435 8.795 8.360 -0.000 0.000 0.454 189 T N 0.694 115.280 114.554 0.054 0.000 2.701 189 T HA -0.208 4.132 4.350 -0.017 0.000 0.263 189 T C 1.897 176.601 174.700 0.007 0.000 1.040 189 T CA 1.427 63.544 62.100 0.029 0.000 1.147 189 T CB -0.196 68.675 68.868 0.005 0.000 0.865 189 T HN 0.255 8.495 8.240 -0.000 0.000 0.426 190 Q N 0.677 120.466 119.800 -0.018 0.000 2.096 190 Q HA -0.116 4.214 4.340 -0.017 0.000 0.204 190 Q C 2.249 178.197 176.000 -0.086 0.000 0.982 190 Q CA 1.435 57.211 55.803 -0.045 0.000 0.850 190 Q CB -0.248 28.459 28.738 -0.050 0.000 0.901 190 Q HN 0.362 8.632 8.270 -0.000 0.000 0.422 191 V N 0.713 120.544 119.914 -0.137 0.000 2.667 191 V HA -0.130 3.980 4.120 -0.017 0.000 0.252 191 V C 2.311 178.207 176.094 -0.330 0.000 1.065 191 V CA 1.615 63.715 62.300 -0.333 0.000 1.083 191 V CB -0.777 30.675 31.823 -0.618 0.000 0.692 191 V HN 0.601 8.791 8.190 -0.000 0.000 0.468 192 G N 0.253 109.025 108.800 -0.047 0.000 2.404 192 G HA2 -0.231 3.719 3.960 -0.017 0.000 0.215 192 G HA3 -0.231 3.719 3.960 -0.017 0.000 0.215 192 G C 1.429 176.325 174.900 -0.006 0.000 1.174 192 G CA 0.717 45.876 45.100 0.097 0.000 0.780 192 G HN 0.504 8.794 8.290 -0.000 0.000 0.537 193 N N 0.656 119.341 118.700 -0.024 0.000 2.069 193 N HA -0.118 4.612 4.740 -0.017 0.000 0.191 193 N C 2.039 177.520 175.510 -0.048 0.000 1.031 193 N CA 1.386 54.417 53.050 -0.031 0.000 0.852 193 N CB -0.388 38.081 38.487 -0.029 0.000 1.018 193 N HN 0.600 8.980 8.380 -0.000 0.000 0.423 194 E N 0.468 120.621 120.200 -0.078 0.000 2.150 194 E HA -0.052 4.288 4.350 -0.017 0.000 0.193 194 E C 1.659 178.208 176.600 -0.084 0.000 0.985 194 E CA 0.604 56.955 56.400 -0.081 0.000 0.814 194 E CB 0.105 29.745 29.700 -0.100 0.000 0.752 194 E HN 0.304 8.664 8.360 -0.000 0.000 0.466 195 L N -0.336 120.818 121.223 -0.116 0.000 2.416 195 L HA 0.203 4.533 4.340 -0.017 0.000 0.216 195 L C 2.491 179.325 176.870 -0.059 0.000 1.098 195 L CA 0.399 55.171 54.840 -0.113 0.000 0.840 195 L CB -0.150 41.785 42.059 -0.205 0.000 0.981 195 L HN 0.121 8.351 8.230 -0.000 0.000 0.462 196 A N 1.628 124.426 122.820 -0.037 0.000 1.908 196 A HA -0.108 4.202 4.320 -0.017 0.000 0.218 196 A C -0.148 177.427 177.584 -0.016 0.000 1.181 196 A CA 1.560 53.586 52.037 -0.019 0.000 0.627 196 A CB -1.758 17.234 19.000 -0.013 0.000 0.818 196 A HN 0.295 8.445 8.150 -0.000 0.000 0.445 197 P HA -0.017 4.403 4.420 -0.000 0.000 0.239 197 P C 0.706 178.005 177.300 -0.001 0.000 1.184 197 P CA 0.697 63.792 63.100 -0.008 0.000 0.760 197 P CB -0.079 31.615 31.700 -0.010 0.000 0.884 198 L N -1.448 119.773 121.223 -0.003 0.000 2.640 198 L HA 0.189 4.519 4.340 -0.017 0.000 0.230 198 L C 0.919 177.807 176.870 0.029 0.000 1.123 198 L CA -0.185 54.664 54.840 0.015 0.000 0.900 198 L CB -0.159 41.904 42.059 0.005 0.000 1.146 198 L HN -0.132 8.098 8.230 -0.000 0.000 0.484 199 K N 0.974 121.381 120.400 0.012 0.000 2.489 199 K HA 0.209 4.519 4.320 -0.017 0.000 0.278 199 K C 1.149 177.760 176.600 0.018 0.000 1.000 199 K CA 0.832 57.128 56.287 0.014 0.000 1.012 199 K CB 0.361 32.860 32.500 -0.003 0.000 0.903 199 K HN 0.226 8.476 8.250 -0.000 0.000 0.485 200 G N 2.327 111.137 108.800 0.017 0.000 2.157 200 G HA2 -0.284 3.666 3.960 -0.017 0.000 0.248 200 G HA3 -0.284 3.666 3.960 -0.017 0.000 0.248 200 G C -0.330 174.584 174.900 0.024 0.000 0.979 200 G CA -0.126 44.978 45.100 0.007 0.000 0.650 200 G HN 0.545 8.835 8.290 -0.000 0.000 0.529 201 K N 1.277 121.716 120.400 0.065 0.000 2.266 201 K HA 0.484 4.794 4.320 -0.017 0.000 0.274 201 K C 0.882 177.571 176.600 0.148 0.000 1.090 201 K CA -0.024 56.321 56.287 0.097 0.000 0.925 201 K CB 1.305 33.873 32.500 0.114 0.000 1.225 201 K HN 0.287 8.537 8.250 -0.000 0.000 0.458 202 G N 2.923 111.751 108.800 0.047 0.000 2.365 202 G HA2 0.169 4.119 3.960 -0.017 0.000 0.249 202 G HA3 0.169 4.119 3.960 -0.017 0.000 0.249 202 G C -0.591 174.330 174.900 0.035 0.000 1.288 202 G CA 0.036 45.093 45.100 -0.071 0.000 0.887 202 G HN 0.590 8.880 8.290 -0.000 0.000 0.524 203 Y N 0.263 120.518 120.300 -0.074 0.000 2.581 203 Y HA 0.787 5.328 4.550 -0.015 0.000 0.345 203 Y C -1.207 174.582 175.900 -0.184 0.000 1.036 203 Y CA -2.359 55.744 58.100 0.004 0.000 1.042 203 Y CB 1.322 39.934 38.460 0.255 0.000 1.289 203 Y HN 0.346 8.626 8.280 -0.000 0.000 0.471 204 F N 1.333 121.386 119.950 0.173 0.000 2.523 204 F HA 0.744 5.262 4.527 -0.016 0.000 0.329 204 F C 0.010 175.910 175.800 0.168 0.000 1.061 204 F CA -0.990 57.027 58.000 0.029 0.000 0.967 204 F CB 2.248 41.188 39.000 -0.099 0.000 1.218 204 F HN 0.567 8.867 8.300 -0.000 0.000 0.480 205 V N -1.139 118.963 119.914 0.313 0.000 3.001 205 V HA 0.460 4.569 4.120 -0.017 0.000 0.314 205 V C -0.288 175.983 176.094 0.295 0.000 1.099 205 V CA -0.745 61.715 62.300 0.268 0.000 0.989 205 V CB 1.755 33.827 31.823 0.416 0.000 1.040 205 V HN 0.668 8.858 8.190 -0.000 0.000 0.434 206 F N 0.075 120.160 119.950 0.226 0.000 2.335 206 F HA 0.253 4.771 4.527 -0.015 0.000 0.296 206 F C 1.325 177.333 175.800 0.347 0.000 1.091 206 F CA 1.193 59.326 58.000 0.221 0.000 1.399 206 F CB -0.351 38.569 39.000 -0.133 0.000 1.067 206 F HN 0.772 9.072 8.300 -0.000 0.000 0.520 207 H N 0.135 119.426 119.070 0.368 0.000 2.800 207 H HA 0.147 4.693 4.556 -0.017 0.000 0.322 207 H C -0.955 174.351 175.328 -0.037 0.000 0.979 207 H CA -0.639 55.533 56.048 0.207 0.000 1.277 207 H CB 0.926 30.835 29.762 0.245 0.000 1.484 207 H HN -0.132 8.148 8.280 -0.000 0.000 0.512 208 D N 4.307 124.524 120.400 -0.305 0.000 2.545 208 D HA 0.150 4.780 4.640 -0.017 0.000 0.227 208 D C 0.370 176.170 176.300 -0.833 0.000 1.150 208 D CA 0.188 53.897 54.000 -0.487 0.000 1.046 208 D CB -0.163 40.275 40.800 -0.603 0.000 1.098 208 D HN 0.621 8.991 8.370 -0.000 0.000 0.502 209 A N 2.344 124.353 122.820 -1.353 0.000 2.508 209 A HA 0.118 4.428 4.320 -0.017 0.000 0.250 209 A C 0.161 177.079 177.584 -1.110 0.000 1.208 209 A CA -0.279 50.756 52.037 -1.670 0.000 0.960 209 A CB -0.031 17.777 19.000 -1.986 0.000 1.099 209 A HN 0.413 8.563 8.150 -0.000 0.000 0.542 210 Y N -1.031 119.119 120.300 -0.250 0.000 2.467 210 Y HA 0.280 4.820 4.550 -0.016 0.000 0.250 210 Y C 2.204 178.123 175.900 0.033 0.000 1.155 210 Y CA -0.440 57.628 58.100 -0.052 0.000 1.249 210 Y CB -0.587 37.902 38.460 0.049 0.000 1.146 210 Y HN 0.228 8.508 8.280 -0.000 0.000 0.524 211 G N 0.473 109.265 108.800 -0.013 0.000 2.556 211 G HA2 -0.364 3.586 3.960 -0.017 0.000 0.220 211 G HA3 -0.364 3.586 3.960 -0.017 0.000 0.220 211 G C 1.327 176.195 174.900 -0.054 0.000 1.156 211 G CA 1.561 46.614 45.100 -0.078 0.000 0.766 211 G HN 0.452 8.742 8.290 -0.000 0.000 0.583 212 Y N -0.891 119.449 120.300 0.065 0.000 2.145 212 Y HA -0.002 4.537 4.550 -0.018 0.000 0.286 212 Y C 2.465 178.429 175.900 0.107 0.000 1.145 212 Y CA 1.202 59.339 58.100 0.062 0.000 1.148 212 Y CB -0.488 38.000 38.460 0.046 0.000 0.981 212 Y HN 0.206 8.486 8.280 -0.000 0.000 0.507 213 F N 1.176 121.255 119.950 0.215 0.000 2.126 213 F HA -0.247 4.267 4.527 -0.022 0.000 0.299 213 F C 2.046 177.959 175.800 0.189 0.000 1.096 213 F CA 1.927 60.064 58.000 0.228 0.000 1.255 213 F CB -0.168 38.961 39.000 0.215 0.000 0.997 213 F HN 0.069 8.369 8.300 -0.000 0.000 0.479 214 E N -0.325 120.041 120.200 0.275 0.000 2.107 214 E HA -0.207 4.132 4.350 -0.017 0.000 0.191 214 E C 1.976 178.580 176.600 0.006 0.000 0.982 214 E CA 1.052 57.525 56.400 0.123 0.000 0.809 214 E CB -0.134 29.671 29.700 0.176 0.000 0.756 214 E HN 0.197 8.557 8.360 -0.000 0.000 0.459 215 K N 1.563 121.956 120.400 -0.011 0.000 2.025 215 K HA -0.243 4.067 4.320 -0.017 0.000 0.207 215 K C 2.176 178.690 176.600 -0.143 0.000 1.049 215 K CA 1.639 57.889 56.287 -0.062 0.000 0.933 215 K CB -0.139 32.331 32.500 -0.050 0.000 0.714 215 K HN -0.068 8.182 8.250 -0.000 0.000 0.438 216 Q N -0.451 119.212 119.800 -0.229 0.000 2.061 216 Q HA -0.096 4.234 4.340 -0.017 0.000 0.204 216 Q C 1.016 176.601 176.000 -0.691 0.000 0.984 216 Q CA 2.050 57.543 55.803 -0.517 0.000 0.846 216 Q CB -0.202 28.086 28.738 -0.750 0.000 0.902 216 Q HN 0.420 8.690 8.270 -0.000 0.000 0.421 217 F N -1.126 118.644 119.950 -0.300 0.000 2.641 217 F HA 0.407 4.922 4.527 -0.020 0.000 0.302 217 F C 1.390 177.061 175.800 -0.214 0.000 1.098 217 F CA 0.296 58.108 58.000 -0.314 0.000 1.318 217 F CB 0.672 39.366 39.000 -0.509 0.000 1.035 217 F HN 0.249 8.549 8.300 -0.000 0.000 0.551 218 G N 0.499 109.267 108.800 -0.054 0.000 2.148 218 G HA2 -0.279 3.671 3.960 -0.017 0.000 0.254 218 G HA3 -0.279 3.671 3.960 -0.017 0.000 0.254 218 G C 0.059 174.947 174.900 -0.020 0.000 0.981 218 G CA -0.320 44.756 45.100 -0.040 0.000 0.670 218 G HN 0.139 8.429 8.290 -0.000 0.000 0.528 219 L N 0.612 121.826 121.223 -0.015 0.000 2.436 219 L HA 0.686 5.016 4.340 -0.017 0.000 0.265 219 L C 1.063 177.984 176.870 0.084 0.000 1.168 219 L CA 0.724 55.584 54.840 0.034 0.000 0.815 219 L CB 1.568 43.586 42.059 -0.070 0.000 1.109 219 L HN 0.214 8.444 8.230 -0.000 0.000 0.462 220 T N 4.231 118.855 114.554 0.117 0.000 3.155 220 T HA 0.470 4.810 4.350 -0.017 0.000 0.384 220 T C -2.656 171.743 174.700 -0.502 0.000 1.351 220 T CA -1.606 60.434 62.100 -0.101 0.000 1.198 220 T CB 0.428 69.246 68.868 -0.083 0.000 1.106 220 T HN 0.302 8.542 8.240 -0.000 0.000 0.564 221 P HA 0.225 4.645 4.420 -0.000 0.000 0.276 221 P C 1.064 177.969 177.300 -0.657 0.000 1.243 221 P CA -0.415 62.094 63.100 -0.985 0.000 0.768 221 P CB 1.182 32.665 31.700 -0.363 0.000 0.856 222 L N 1.835 122.541 121.223 -0.862 0.000 2.109 222 L HA 0.133 4.463 4.340 -0.017 0.000 0.207 222 L C 1.476 177.948 176.870 -0.663 0.000 1.086 222 L CA 1.603 55.953 54.840 -0.817 0.000 0.760 222 L CB -0.545 40.782 42.059 -1.220 0.000 0.910 222 L HN 0.644 8.874 8.230 -0.000 0.000 0.437 223 G N -2.048 106.359 108.800 -0.656 0.000 2.323 223 G HA2 0.238 4.188 3.960 -0.017 0.000 0.291 223 G HA3 0.238 4.188 3.960 -0.017 0.000 0.291 223 G C -1.808 173.122 174.900 0.049 0.000 1.278 223 G CA -0.512 44.501 45.100 -0.145 0.000 0.860 223 G HN 0.190 8.480 8.290 -0.000 0.000 0.504 224 H N -1.319 117.704 119.070 -0.078 0.000 2.961 224 H HA 0.781 5.327 4.556 -0.017 0.000 0.371 224 H C -2.002 173.187 175.328 -0.233 0.000 1.190 224 H CA -1.107 54.864 56.048 -0.129 0.000 1.138 224 H CB 1.812 31.603 29.762 0.047 0.000 1.816 224 H HN 0.382 8.662 8.280 -0.000 0.000 0.551 225 F N 0.343 120.518 119.950 0.375 0.000 2.532 225 F HA 0.339 4.856 4.527 -0.017 0.000 0.321 225 F C 0.770 176.744 175.800 0.290 0.000 1.089 225 F CA -0.933 57.206 58.000 0.231 0.000 0.926 225 F CB 2.339 41.459 39.000 0.200 0.000 1.168 225 F HN 0.569 8.869 8.300 -0.000 0.000 0.459 226 T N 3.748 118.530 114.554 0.380 0.000 2.762 226 T HA 0.690 5.030 4.350 -0.017 0.000 0.303 226 T C -0.559 174.244 174.700 0.172 0.000 0.977 226 T CA -0.210 62.063 62.100 0.288 0.000 0.961 226 T CB -0.373 68.639 68.868 0.240 0.000 0.944 226 T HN 0.425 8.665 8.240 -0.000 0.000 0.481 227 V N 4.820 124.819 119.914 0.141 0.000 3.139 227 V HA 0.497 4.607 4.120 -0.017 0.000 0.310 227 V C 1.691 177.808 176.094 0.040 0.000 1.260 227 V CA -1.114 61.195 62.300 0.014 0.000 1.064 227 V CB 1.559 33.244 31.823 -0.231 0.000 1.160 227 V HN 0.722 8.912 8.190 -0.000 0.000 0.470 228 N N 1.457 120.133 118.700 -0.040 0.000 2.054 228 N HA 0.012 4.742 4.740 -0.017 0.000 0.193 228 N C -1.096 174.249 175.510 -0.275 0.000 1.066 228 N CA 1.816 54.795 53.050 -0.118 0.000 0.853 228 N CB -0.644 37.786 38.487 -0.095 0.000 1.048 228 N HN 0.653 9.033 8.380 -0.000 0.000 0.431 229 P HA 0.267 4.687 4.420 -0.000 0.000 0.263 229 P C -0.214 176.952 177.300 -0.223 0.000 1.448 229 P CA 0.419 63.147 63.100 -0.620 0.000 0.983 229 P CB 0.398 31.238 31.700 -1.433 0.000 1.481 230 E N -0.487 119.625 120.200 -0.146 0.000 2.434 230 E HA 0.154 4.494 4.350 -0.017 0.000 0.207 230 E C 0.120 176.697 176.600 -0.038 0.000 0.929 230 E CA 0.053 56.411 56.400 -0.070 0.000 1.001 230 E CB 0.553 30.214 29.700 -0.066 0.000 1.016 230 E HN 0.128 8.488 8.360 -0.000 0.000 0.502 231 I N 2.242 122.786 120.570 -0.044 0.000 2.382 231 I HA 0.165 4.325 4.170 -0.017 0.000 0.286 231 I C 0.189 176.291 176.117 -0.025 0.000 1.002 231 I CA -0.666 60.617 61.300 -0.028 0.000 1.135 231 I CB 1.091 39.073 38.000 -0.029 0.000 1.288 231 I HN 0.034 8.244 8.210 -0.000 0.000 0.448 232 Q N 7.433 127.225 119.800 -0.014 0.000 2.304 232 Q HA 0.093 4.423 4.340 -0.017 0.000 0.301 232 Q C -1.989 173.997 176.000 -0.024 0.000 1.063 232 Q CA -0.885 54.909 55.803 -0.015 0.000 0.947 232 Q CB 0.680 29.415 28.738 -0.005 0.000 1.201 232 Q HN 0.372 8.642 8.270 -0.000 0.000 0.389 233 P HA 0.083 4.503 4.420 -0.000 0.000 0.272 233 P C -0.309 176.975 177.300 -0.026 0.000 1.223 233 P CA -0.236 62.842 63.100 -0.036 0.000 0.784 233 P CB 0.550 32.216 31.700 -0.057 0.000 0.923 234 G N 0.405 109.193 108.800 -0.020 0.000 2.634 234 G HA2 0.300 4.250 3.960 -0.017 0.000 0.255 234 G HA3 0.300 4.250 3.960 -0.017 0.000 0.255 234 G C 1.205 176.097 174.900 -0.013 0.000 1.205 234 G CA 0.029 45.120 45.100 -0.014 0.000 0.884 234 G HN 0.517 8.807 8.290 -0.000 0.000 0.549 235 A N -0.444 122.370 122.820 -0.010 0.000 1.883 235 A HA -0.166 4.144 4.320 -0.017 0.000 0.217 235 A C 2.250 179.844 177.584 0.017 0.000 1.186 235 A CA 2.243 54.277 52.037 -0.005 0.000 0.624 235 A CB -0.802 18.187 19.000 -0.018 0.000 0.822 235 A HN 0.754 8.904 8.150 -0.000 0.000 0.444 236 Q N -0.965 118.843 119.800 0.013 0.000 2.014 236 Q HA -0.298 4.032 4.340 -0.017 0.000 0.207 236 Q C 2.360 178.383 176.000 0.038 0.000 0.993 236 Q CA 2.297 58.121 55.803 0.035 0.000 0.850 236 Q CB -0.151 28.599 28.738 0.019 0.000 0.916 236 Q HN 0.532 8.802 8.270 -0.000 0.000 0.417 237 R N -0.004 120.498 120.500 0.002 0.000 2.081 237 R HA -0.141 4.189 4.340 -0.017 0.000 0.235 237 R C 2.135 178.392 176.300 -0.073 0.000 1.131 237 R CA 1.268 57.350 56.100 -0.030 0.000 0.960 237 R CB -0.699 29.583 30.300 -0.030 0.000 0.856 237 R HN 0.373 8.643 8.270 -0.000 0.000 0.436 238 L N -0.253 120.939 121.223 -0.052 0.000 2.093 238 L HA -0.113 4.217 4.340 -0.017 0.000 0.208 238 L C 2.062 178.893 176.870 -0.066 0.000 1.085 238 L CA 2.168 56.960 54.840 -0.079 0.000 0.755 238 L CB -0.696 41.339 42.059 -0.040 0.000 0.904 238 L HN 0.385 8.615 8.230 -0.000 0.000 0.435 239 H N -0.611 118.401 119.070 -0.097 0.000 2.423 239 H HA -0.096 4.450 4.556 -0.017 0.000 0.297 239 H C 2.054 177.321 175.328 -0.102 0.000 1.075 239 H CA 2.058 58.055 56.048 -0.086 0.000 1.342 239 H CB 0.177 29.906 29.762 -0.056 0.000 1.395 239 H HN 0.495 8.775 8.280 -0.000 0.000 0.530 240 E N -0.174 119.900 120.200 -0.211 0.000 2.072 240 E HA -0.081 4.259 4.350 -0.017 0.000 0.190 240 E C 2.292 178.712 176.600 -0.299 0.000 0.982 240 E CA 1.123 57.374 56.400 -0.248 0.000 0.803 240 E CB 0.069 29.704 29.700 -0.109 0.000 0.755 240 E HN 0.514 8.874 8.360 -0.000 0.000 0.453 241 I N 0.788 121.127 120.570 -0.384 0.000 2.226 241 I HA -0.290 3.870 4.170 -0.017 0.000 0.245 241 I C 2.495 178.261 176.117 -0.584 0.000 1.100 241 I CA 1.204 62.059 61.300 -0.743 0.000 1.374 241 I CB -0.200 37.245 38.000 -0.924 0.000 1.057 241 I HN 0.016 8.226 8.210 -0.000 0.000 0.413 242 R N 0.031 120.308 120.500 -0.371 0.000 2.075 242 R HA -0.114 4.216 4.340 -0.017 0.000 0.232 242 R C 2.351 178.523 176.300 -0.212 0.000 1.126 242 R CA 1.856 57.812 56.100 -0.241 0.000 0.963 242 R CB -0.567 29.655 30.300 -0.130 0.000 0.858 242 R HN 0.275 8.545 8.270 -0.000 0.000 0.435 243 T N 1.002 115.380 114.554 -0.293 0.000 2.737 243 T HA -0.217 4.123 4.350 -0.017 0.000 0.269 243 T C 1.704 176.330 174.700 -0.124 0.000 1.040 243 T CA 1.481 63.436 62.100 -0.241 0.000 1.142 243 T CB -0.100 68.539 68.868 -0.381 0.000 0.861 243 T HN 0.370 8.610 8.240 -0.000 0.000 0.456 244 Q N -0.093 119.626 119.800 -0.134 0.000 2.137 244 Q HA 0.164 4.494 4.340 -0.017 0.000 0.198 244 Q C 2.415 178.430 176.000 0.026 0.000 0.960 244 Q CA 0.699 56.486 55.803 -0.028 0.000 0.847 244 Q CB -0.192 28.539 28.738 -0.012 0.000 0.915 244 Q HN 0.451 8.721 8.270 -0.000 0.000 0.448 245 L N -0.076 121.099 121.223 -0.080 0.000 2.079 245 L HA -0.196 4.134 4.340 -0.017 0.000 0.210 245 L C 2.170 179.098 176.870 0.095 0.000 1.081 245 L CA 0.864 55.736 54.840 0.054 0.000 0.752 245 L CB -0.346 41.705 42.059 -0.014 0.000 0.896 245 L HN 0.122 8.352 8.230 -0.000 0.000 0.433 246 V N -0.456 119.476 119.914 0.031 0.000 2.300 246 V HA -0.210 3.900 4.120 -0.017 0.000 0.241 246 V C 2.413 178.537 176.094 0.049 0.000 1.034 246 V CA 1.620 63.940 62.300 0.033 0.000 1.021 246 V CB -0.455 31.371 31.823 0.005 0.000 0.662 246 V HN 0.499 8.689 8.190 -0.000 0.000 0.458 247 E N 0.463 120.686 120.200 0.038 0.000 2.108 247 E HA -0.336 4.004 4.350 -0.017 0.000 0.203 247 E C 1.912 178.553 176.600 0.069 0.000 1.022 247 E CA 2.139 58.566 56.400 0.045 0.000 0.823 247 E CB -0.146 29.577 29.700 0.037 0.000 0.744 247 E HN 0.680 9.040 8.360 -0.000 0.000 0.456 248 Q N -0.058 119.813 119.800 0.118 0.000 2.280 248 Q HA 0.071 4.401 4.340 -0.017 0.000 0.201 248 Q C -0.525 175.545 176.000 0.116 0.000 0.890 248 Q CA -0.046 55.835 55.803 0.131 0.000 0.947 248 Q CB 0.364 29.233 28.738 0.218 0.000 1.081 248 Q HN 0.188 8.458 8.270 -0.000 0.000 0.502 249 K N 0.865 121.328 120.400 0.106 0.000 4.075 249 K HA -0.197 4.113 4.320 -0.017 0.000 0.278 249 K C -0.482 176.179 176.600 0.101 0.000 0.862 249 K CA 0.215 56.554 56.287 0.086 0.000 0.762 249 K CB -1.338 31.194 32.500 0.052 0.000 1.660 249 K HN 0.285 8.535 8.250 -0.000 0.000 0.437 250 A N 1.104 124.022 122.820 0.163 0.000 2.371 250 A HA 0.302 4.612 4.320 -0.017 0.000 0.257 250 A C 1.386 179.038 177.584 0.113 0.000 1.089 250 A CA -0.116 52.026 52.037 0.176 0.000 0.794 250 A CB 0.597 19.823 19.000 0.377 0.000 1.029 250 A HN 0.425 8.575 8.150 -0.000 0.000 0.488 251 T N 0.285 114.895 114.554 0.094 0.000 2.939 251 T HA 0.066 4.406 4.350 -0.017 0.000 0.254 251 T C 0.489 175.194 174.700 0.009 0.000 1.041 251 T CA 0.971 63.105 62.100 0.055 0.000 1.142 251 T CB -0.205 68.701 68.868 0.065 0.000 0.874 251 T HN 0.695 8.935 8.240 -0.000 0.000 0.452 252 c N 0.523 119.124 118.600 0.003 0.000 2.913 252 c HA 0.866 5.426 4.570 -0.017 0.000 0.322 252 c C -0.599 173.422 174.090 -0.115 0.000 1.292 252 c CA -1.000 55.208 56.329 -0.201 0.000 1.649 252 c CB 2.154 44.325 42.510 -0.564 0.000 2.139 252 c HN 0.267 8.497 8.230 -0.000 0.000 0.475 253 V N 1.879 121.611 119.914 -0.303 0.000 2.569 253 V HA 0.605 4.715 4.120 -0.017 0.000 0.301 253 V C -1.622 174.168 176.094 -0.507 0.000 1.044 253 V CA -0.211 61.967 62.300 -0.204 0.000 0.874 253 V CB 1.141 32.933 31.823 -0.052 0.000 1.002 253 V HN 0.754 8.944 8.190 -0.000 0.000 0.424 254 F N 5.775 125.536 119.950 -0.316 0.000 2.415 254 F HA 0.816 5.334 4.527 -0.016 0.000 0.348 254 F C 0.770 176.204 175.800 -0.609 0.000 1.119 254 F CA 0.128 57.886 58.000 -0.403 0.000 1.069 254 F CB 1.884 40.645 39.000 -0.397 0.000 1.124 254 F HN 0.707 9.007 8.300 -0.000 0.000 0.472 255 A N 3.297 125.915 122.820 -0.336 0.000 2.263 255 A HA 0.703 5.013 4.320 -0.017 0.000 0.318 255 A C -0.440 177.100 177.584 -0.073 0.000 1.111 255 A CA -0.657 51.151 52.037 -0.380 0.000 0.901 255 A CB 0.771 19.660 19.000 -0.184 0.000 1.280 255 A HN 0.740 8.890 8.150 -0.000 0.000 0.503 256 E N -0.647 119.591 120.200 0.064 0.000 2.249 256 E HA 0.322 4.662 4.350 -0.017 0.000 0.263 256 E C -2.077 174.776 176.600 0.422 0.000 0.950 256 E CA -1.740 54.873 56.400 0.356 0.000 0.827 256 E CB 1.306 31.334 29.700 0.547 0.000 1.220 256 E HN 0.297 8.657 8.360 -0.000 0.000 0.411 257 P HA -0.186 4.234 4.420 -0.000 0.000 0.222 257 P C 1.109 178.541 177.300 0.221 0.000 1.147 257 P CA 1.001 64.234 63.100 0.221 0.000 0.790 257 P CB 0.188 31.980 31.700 0.153 0.000 0.780 258 Q N -0.716 119.225 119.800 0.235 0.000 2.482 258 Q HA -0.046 4.284 4.340 -0.017 0.000 0.209 258 Q C -0.041 175.983 176.000 0.041 0.000 0.961 258 Q CA 0.457 56.319 55.803 0.098 0.000 0.945 258 Q CB -0.827 27.918 28.738 0.011 0.000 1.012 258 Q HN 0.234 8.504 8.270 -0.000 0.000 0.515 259 F N 2.285 122.306 119.950 0.118 0.000 2.467 259 F HA 0.268 4.785 4.527 -0.017 0.000 0.362 259 F C 1.033 176.894 175.800 0.100 0.000 1.090 259 F CA -0.774 57.303 58.000 0.129 0.000 1.202 259 F CB 0.718 39.857 39.000 0.232 0.000 1.113 259 F HN -0.095 8.205 8.300 -0.000 0.000 0.541 260 R N 5.369 125.968 120.500 0.166 0.000 2.522 260 R HA 0.055 4.384 4.340 -0.017 0.000 0.284 260 R C -1.747 174.654 176.300 0.168 0.000 1.032 260 R CA -0.979 55.195 56.100 0.124 0.000 1.049 260 R CB 0.483 30.820 30.300 0.062 0.000 0.956 260 R HN 0.290 8.560 8.270 -0.000 0.000 0.422 261 P HA -0.146 4.274 4.420 -0.000 0.000 0.221 261 P C 0.392 177.755 177.300 0.105 0.000 1.145 261 P CA 1.272 64.446 63.100 0.124 0.000 0.795 261 P CB 0.193 31.945 31.700 0.087 0.000 0.775 262 A N -0.464 122.407 122.820 0.085 0.000 1.902 262 A HA -0.167 4.143 4.320 -0.017 0.000 0.217 262 A C 2.290 179.920 177.584 0.076 0.000 1.181 262 A CA 1.876 53.952 52.037 0.065 0.000 0.623 262 A CB -1.664 17.363 19.000 0.044 0.000 0.818 262 A HN 0.047 8.197 8.150 -0.000 0.000 0.443 263 V N -0.287 119.687 119.914 0.100 0.000 2.295 263 V HA -0.227 3.882 4.120 -0.017 0.000 0.246 263 V C 2.578 178.757 176.094 0.141 0.000 1.049 263 V CA 2.012 64.372 62.300 0.099 0.000 1.024 263 V CB -0.871 31.024 31.823 0.119 0.000 0.648 263 V HN 0.385 8.575 8.190 -0.000 0.000 0.447 264 V N -0.171 119.880 119.914 0.228 0.000 2.270 264 V HA -0.256 3.854 4.120 -0.017 0.000 0.245 264 V C 2.377 178.572 176.094 0.168 0.000 1.043 264 V CA 2.069 64.544 62.300 0.292 0.000 1.014 264 V CB -0.788 31.200 31.823 0.274 0.000 0.645 264 V HN 0.552 8.742 8.190 -0.000 0.000 0.447 265 E N 0.123 120.389 120.200 0.110 0.000 2.130 265 E HA -0.240 4.100 4.350 -0.017 0.000 0.196 265 E C 2.427 179.059 176.600 0.054 0.000 0.998 265 E CA 1.589 58.028 56.400 0.066 0.000 0.806 265 E CB -0.256 29.475 29.700 0.052 0.000 0.738 265 E HN 0.509 8.869 8.360 -0.000 0.000 0.459 266 S N -0.109 115.626 115.700 0.057 0.000 2.356 266 S HA -0.135 4.324 4.470 -0.017 0.000 0.223 266 S C 2.070 176.686 174.600 0.026 0.000 1.032 266 S CA 0.965 59.185 58.200 0.034 0.000 1.005 266 S CB -0.100 63.115 63.200 0.025 0.000 0.867 266 S HN 0.092 8.402 8.310 -0.000 0.000 0.449 267 V N 1.564 121.509 119.914 0.051 0.000 2.490 267 V HA -0.091 4.019 4.120 -0.017 0.000 0.250 267 V C 2.515 178.618 176.094 0.014 0.000 1.061 267 V CA 1.760 64.078 62.300 0.030 0.000 1.064 267 V CB -0.896 31.001 31.823 0.123 0.000 0.670 267 V HN 0.596 8.786 8.190 -0.000 0.000 0.461 268 A N -0.854 121.987 122.820 0.035 0.000 2.147 268 A HA 0.087 4.397 4.320 -0.017 0.000 0.211 268 A C 1.474 179.062 177.584 0.006 0.000 1.160 268 A CA -0.112 51.934 52.037 0.014 0.000 0.781 268 A CB -0.232 18.774 19.000 0.010 0.000 0.842 268 A HN 0.447 8.597 8.150 -0.000 0.000 0.475 269 R N -0.213 120.292 120.500 0.009 0.000 2.537 269 R HA 0.227 4.557 4.340 -0.017 0.000 0.281 269 R C 1.390 177.692 176.300 0.003 0.000 0.988 269 R CA 1.191 57.295 56.100 0.007 0.000 1.077 269 R CB -0.104 30.201 30.300 0.009 0.000 0.932 269 R HN 0.727 8.997 8.270 -0.000 0.000 0.409 270 G N 2.299 111.101 108.800 0.004 0.000 2.347 270 G HA2 -0.383 3.567 3.960 -0.017 0.000 0.247 270 G HA3 -0.383 3.567 3.960 -0.017 0.000 0.247 270 G C 0.352 175.255 174.900 0.005 0.000 1.037 270 G CA 0.685 45.788 45.100 0.005 0.000 0.622 270 G HN 0.829 9.119 8.290 -0.000 0.000 0.521 271 T N -0.981 113.575 114.554 0.003 0.000 2.732 271 T HA 0.568 4.908 4.350 -0.017 0.000 0.287 271 T C 1.458 176.162 174.700 0.007 0.000 0.993 271 T CA 0.946 63.050 62.100 0.005 0.000 0.966 271 T CB 1.402 70.272 68.868 0.003 0.000 1.047 271 T HN 1.142 9.382 8.240 -0.000 0.000 0.527 272 S N -1.391 114.315 115.700 0.011 0.000 2.554 272 S HA 0.301 4.761 4.470 -0.017 0.000 0.226 272 S C 0.338 174.942 174.600 0.006 0.000 0.980 272 S CA -0.711 57.494 58.200 0.009 0.000 0.939 272 S CB -0.338 62.869 63.200 0.012 0.000 0.832 272 S HN 0.578 8.887 8.310 -0.000 0.000 0.486 273 V N 3.236 123.155 119.914 0.008 0.000 2.555 273 V HA 0.278 4.388 4.120 -0.017 0.000 0.286 273 V C 0.709 176.784 176.094 -0.032 0.000 1.044 273 V CA -0.540 61.761 62.300 0.002 0.000 1.026 273 V CB 0.377 32.217 31.823 0.028 0.000 0.981 273 V HN 0.416 8.606 8.190 -0.000 0.000 0.480 274 R N 4.003 124.466 120.500 -0.063 0.000 2.582 274 R HA 0.510 4.840 4.340 -0.017 0.000 0.271 274 R C -0.461 175.734 176.300 -0.174 0.000 1.078 274 R CA -0.364 55.674 56.100 -0.103 0.000 1.127 274 R CB 0.633 30.867 30.300 -0.109 0.000 1.038 274 R HN 0.601 8.871 8.270 -0.000 0.000 0.500 275 M N 1.061 120.564 119.600 -0.162 0.000 2.180 275 M HA 0.328 4.798 4.480 -0.017 0.000 0.350 275 M C 0.282 176.430 176.300 -0.254 0.000 1.125 275 M CA -0.302 54.880 55.300 -0.197 0.000 1.031 275 M CB 2.183 34.730 32.600 -0.089 0.000 1.623 275 M HN 0.714 9.004 8.290 -0.000 0.000 0.451 276 G N 1.178 109.730 108.800 -0.413 0.000 2.600 276 G HA2 0.797 4.747 3.960 -0.017 0.000 0.303 276 G HA3 0.797 4.747 3.960 -0.017 0.000 0.303 276 G C -1.320 173.570 174.900 -0.016 0.000 1.253 276 G CA -0.449 44.470 45.100 -0.301 0.000 0.974 276 G HN 0.513 8.803 8.290 -0.000 0.000 0.483 277 T N 1.031 115.658 114.554 0.122 0.000 2.890 277 T HA 0.474 4.814 4.350 -0.017 0.000 0.295 277 T C -0.334 174.347 174.700 -0.032 0.000 0.993 277 T CA -0.209 61.928 62.100 0.062 0.000 0.979 277 T CB 0.902 69.798 68.868 0.046 0.000 0.967 277 T HN 0.305 8.545 8.240 -0.000 0.000 0.441 278 L N 2.649 123.794 121.223 -0.130 0.000 2.325 278 L HA 0.574 4.904 4.340 -0.017 0.000 0.278 278 L C -0.118 176.729 176.870 -0.039 0.000 1.023 278 L CA -0.829 53.822 54.840 -0.316 0.000 0.811 278 L CB 1.460 43.072 42.059 -0.745 0.000 1.249 278 L HN 0.541 8.771 8.230 -0.000 0.000 0.431 279 D N 3.449 123.847 120.400 -0.003 0.000 2.551 279 D HA 0.234 4.864 4.640 -0.017 0.000 0.294 279 D C -1.643 174.860 176.300 0.339 0.000 1.201 279 D CA -1.788 52.316 54.000 0.172 0.000 0.941 279 D CB 1.011 41.902 40.800 0.151 0.000 0.995 279 D HN 0.164 8.534 8.370 -0.000 0.000 0.502 280 P HA -0.024 4.396 4.420 -0.000 0.000 0.230 280 P C 0.857 178.627 177.300 0.784 0.000 1.158 280 P CA 0.439 63.946 63.100 0.679 0.000 0.769 280 P CB 0.386 32.490 31.700 0.674 0.000 0.807 281 L N -1.426 120.057 121.223 0.434 0.000 2.769 281 L HA 0.399 4.729 4.340 -0.017 0.000 0.240 281 L C 1.218 178.070 176.870 -0.030 0.000 1.163 281 L CA 0.032 54.928 54.840 0.094 0.000 0.962 281 L CB -0.698 41.376 42.059 0.024 0.000 1.258 281 L HN -0.040 8.190 8.230 -0.000 0.000 0.513 282 G N 1.324 110.254 108.800 0.217 0.000 2.416 282 G HA2 -0.386 3.564 3.960 -0.017 0.000 0.301 282 G HA3 -0.386 3.564 3.960 -0.017 0.000 0.301 282 G C 1.108 176.128 174.900 0.200 0.000 0.985 282 G CA 0.885 46.157 45.100 0.286 0.000 0.934 282 G HN 0.508 8.798 8.290 -0.000 0.000 0.513 283 T N -3.010 111.619 114.554 0.125 0.000 2.881 283 T HA -0.114 4.226 4.350 -0.017 0.000 0.270 283 T C 1.829 176.590 174.700 0.102 0.000 1.068 283 T CA 1.427 63.576 62.100 0.081 0.000 1.131 283 T CB -0.150 68.754 68.868 0.061 0.000 0.871 283 T HN 0.394 8.634 8.240 -0.000 0.000 0.479 284 N N 0.686 119.461 118.700 0.125 0.000 2.515 284 N HA 0.179 4.908 4.740 -0.017 0.000 0.185 284 N C 0.044 175.615 175.510 0.101 0.000 1.109 284 N CA 0.394 53.504 53.050 0.100 0.000 0.903 284 N CB 0.066 38.608 38.487 0.090 0.000 0.969 284 N HN 0.506 8.886 8.380 -0.000 0.000 0.450 285 I N 0.627 121.289 120.570 0.154 0.000 2.530 285 I HA 0.163 4.322 4.170 -0.017 0.000 0.297 285 I C 0.237 176.448 176.117 0.157 0.000 1.011 285 I CA -0.760 60.604 61.300 0.106 0.000 1.107 285 I CB 2.197 40.203 38.000 0.009 0.000 1.285 285 I HN -0.227 7.983 8.210 -0.000 0.000 0.436 286 K N 6.461 126.903 120.400 0.071 0.000 2.130 286 K HA 0.509 4.818 4.320 -0.017 0.000 0.268 286 K C -0.808 175.867 176.600 0.127 0.000 0.983 286 K CA -0.594 55.753 56.287 0.101 0.000 0.893 286 K CB 1.036 33.566 32.500 0.051 0.000 1.066 286 K HN 0.557 8.807 8.250 -0.000 0.000 0.450 287 L N 2.869 124.213 121.223 0.201 0.000 2.485 287 L HA 0.239 4.569 4.340 -0.017 0.000 0.275 287 L C 0.772 177.712 176.870 0.117 0.000 1.207 287 L CA 0.950 55.924 54.840 0.224 0.000 0.855 287 L CB 0.566 42.727 42.059 0.170 0.000 1.114 287 L HN 1.048 9.278 8.230 -0.000 0.000 0.485 288 G N 1.724 110.594 108.800 0.117 0.000 2.315 288 G HA2 0.035 3.985 3.960 -0.017 0.000 0.294 288 G HA3 0.035 3.985 3.960 -0.017 0.000 0.294 288 G C -0.219 174.736 174.900 0.091 0.000 1.300 288 G CA -0.452 44.694 45.100 0.078 0.000 0.843 288 G HN 0.516 8.806 8.290 -0.000 0.000 0.527 289 K N -1.040 119.408 120.400 0.080 0.000 2.113 289 K HA -0.111 4.199 4.320 -0.017 0.000 0.208 289 K C 1.905 178.587 176.600 0.136 0.000 1.047 289 K CA 2.327 58.675 56.287 0.102 0.000 0.928 289 K CB -0.183 32.366 32.500 0.081 0.000 0.716 289 K HN 0.617 8.867 8.250 -0.000 0.000 0.446 290 T N -2.482 112.127 114.554 0.092 0.000 3.182 290 T HA 0.095 4.434 4.350 -0.017 0.000 0.277 290 T C 1.303 176.021 174.700 0.030 0.000 1.013 290 T CA 0.210 62.363 62.100 0.089 0.000 0.900 290 T CB 0.514 69.410 68.868 0.046 0.000 1.098 290 T HN 0.165 8.405 8.240 -0.000 0.000 0.543 291 S N 0.608 116.294 115.700 -0.023 0.000 2.392 291 S HA -0.256 4.203 4.470 -0.017 0.000 0.232 291 S C 1.631 176.025 174.600 -0.342 0.000 1.041 291 S CA 0.923 58.931 58.200 -0.320 0.000 1.026 291 S CB -1.031 61.907 63.200 -0.438 0.000 0.845 291 S HN 0.641 8.951 8.310 -0.000 0.000 0.465 292 Y N 2.006 122.298 120.300 -0.013 0.000 2.153 292 Y HA -0.066 4.473 4.550 -0.018 0.000 0.289 292 Y C 2.849 178.865 175.900 0.193 0.000 1.127 292 Y CA 1.536 59.785 58.100 0.248 0.000 1.131 292 Y CB -0.645 38.123 38.460 0.513 0.000 0.995 292 Y HN 0.267 8.547 8.280 -0.000 0.000 0.505 293 S N 0.350 116.105 115.700 0.092 0.000 2.369 293 S HA -0.308 4.151 4.470 -0.017 0.000 0.225 293 S C 1.736 176.284 174.600 -0.085 0.000 1.043 293 S CA 2.075 60.257 58.200 -0.030 0.000 1.074 293 S CB -0.414 62.782 63.200 -0.006 0.000 0.962 293 S HN 0.575 8.885 8.310 -0.000 0.000 0.433 294 E N 0.031 120.184 120.200 -0.078 0.000 2.085 294 E HA -0.163 4.177 4.350 -0.017 0.000 0.194 294 E C 1.776 178.329 176.600 -0.077 0.000 0.994 294 E CA 1.284 57.631 56.400 -0.088 0.000 0.801 294 E CB -0.313 29.327 29.700 -0.100 0.000 0.743 294 E HN 0.643 9.003 8.360 -0.000 0.000 0.453 295 F N 1.506 121.290 119.950 -0.277 0.000 2.043 295 F HA -0.270 4.247 4.527 -0.017 0.000 0.297 295 F C 1.946 177.656 175.800 -0.149 0.000 1.121 295 F CA 1.376 59.261 58.000 -0.191 0.000 1.199 295 F CB -0.060 38.868 39.000 -0.120 0.000 0.968 295 F HN -0.072 8.228 8.300 -0.000 0.000 0.478 296 L N -0.459 120.498 121.223 -0.444 0.000 2.083 296 L HA -0.228 4.102 4.340 -0.017 0.000 0.209 296 L C 2.649 179.381 176.870 -0.230 0.000 1.083 296 L CA 1.306 55.905 54.840 -0.403 0.000 0.752 296 L CB -0.969 40.970 42.059 -0.199 0.000 0.899 296 L HN 0.191 8.421 8.230 -0.000 0.000 0.433 297 S N -0.435 115.160 115.700 -0.175 0.000 2.353 297 S HA -0.307 4.153 4.470 -0.017 0.000 0.222 297 S C 1.890 176.410 174.600 -0.132 0.000 1.035 297 S CA 1.901 60.022 58.200 -0.131 0.000 1.025 297 S CB -0.256 62.885 63.200 -0.098 0.000 0.902 297 S HN 0.492 8.802 8.310 -0.000 0.000 0.440 298 Q N 0.459 120.182 119.800 -0.129 0.000 2.045 298 Q HA -0.208 4.122 4.340 -0.017 0.000 0.206 298 Q C 2.187 178.082 176.000 -0.175 0.000 0.991 298 Q CA 1.862 57.599 55.803 -0.109 0.000 0.851 298 Q CB -0.474 28.235 28.738 -0.048 0.000 0.911 298 Q HN 0.426 8.696 8.270 -0.000 0.000 0.418 299 L N 0.662 121.706 121.223 -0.297 0.000 2.079 299 L HA -0.128 4.202 4.340 -0.017 0.000 0.210 299 L C 2.306 179.006 176.870 -0.283 0.000 1.081 299 L CA 2.222 56.798 54.840 -0.440 0.000 0.752 299 L CB -0.777 40.797 42.059 -0.807 0.000 0.896 299 L HN 0.403 8.633 8.230 -0.000 0.000 0.433 300 A N -0.995 121.748 122.820 -0.129 0.000 1.968 300 A HA -0.138 4.172 4.320 -0.017 0.000 0.217 300 A C 2.032 179.598 177.584 -0.031 0.000 1.169 300 A CA 1.393 53.434 52.037 0.007 0.000 0.638 300 A CB -0.595 18.366 19.000 -0.065 0.000 0.812 300 A HN 0.557 8.707 8.150 -0.000 0.000 0.446 301 N N 0.206 118.862 118.700 -0.072 0.000 2.188 301 N HA -0.155 4.575 4.740 -0.017 0.000 0.184 301 N C 1.838 177.318 175.510 -0.049 0.000 1.018 301 N CA 1.595 54.613 53.050 -0.054 0.000 0.858 301 N CB -0.416 38.037 38.487 -0.056 0.000 0.989 301 N HN 0.686 9.066 8.380 -0.000 0.000 0.426 302 Q N -0.630 119.104 119.800 -0.111 0.000 2.123 302 Q HA -0.054 4.276 4.340 -0.017 0.000 0.199 302 Q C 1.633 177.556 176.000 -0.129 0.000 0.966 302 Q CA 0.965 56.688 55.803 -0.134 0.000 0.845 302 Q CB -0.200 28.389 28.738 -0.248 0.000 0.907 302 Q HN 0.473 8.743 8.270 -0.000 0.000 0.439 303 Y N 0.663 120.778 120.300 -0.309 0.000 2.114 303 Y HA -0.291 4.247 4.550 -0.020 0.000 0.284 303 Y C 2.573 178.441 175.900 -0.053 0.000 1.143 303 Y CA 1.086 58.977 58.100 -0.349 0.000 1.135 303 Y CB -0.250 37.955 38.460 -0.426 0.000 0.980 303 Y HN 0.166 8.446 8.280 -0.000 0.000 0.499 304 A N -0.376 122.504 122.820 0.100 0.000 1.902 304 A HA -0.247 4.062 4.320 -0.017 0.000 0.217 304 A C 2.385 180.005 177.584 0.059 0.000 1.181 304 A CA 2.143 54.214 52.037 0.057 0.000 0.623 304 A CB -1.206 17.798 19.000 0.007 0.000 0.818 304 A HN 0.520 8.670 8.150 -0.000 0.000 0.443 305 S N -1.597 114.133 115.700 0.051 0.000 2.423 305 S HA -0.175 4.285 4.470 -0.017 0.000 0.231 305 S C 1.951 176.572 174.600 0.034 0.000 1.014 305 S CA 1.371 59.590 58.200 0.031 0.000 0.965 305 S CB -1.061 62.148 63.200 0.015 0.000 0.785 305 S HN 0.693 9.003 8.310 -0.000 0.000 0.495 306 c N 0.161 118.804 118.600 0.073 0.000 2.527 306 c HA 0.454 5.014 4.570 -0.017 0.000 0.280 306 c C 2.412 176.510 174.090 0.014 0.000 1.353 306 c CA -0.107 56.217 56.329 -0.008 0.000 1.749 306 c CB -1.417 40.995 42.510 -0.164 0.000 2.088 306 c HN 0.669 8.899 8.230 -0.000 0.000 0.508 307 L N 0.512 121.800 121.223 0.108 0.000 2.270 307 L HA 0.099 4.429 4.340 -0.017 0.000 0.210 307 L C 0.999 177.905 176.870 0.061 0.000 1.104 307 L CA 0.521 55.425 54.840 0.108 0.000 0.804 307 L CB -0.403 41.757 42.059 0.168 0.000 0.937 307 L HN 0.099 8.329 8.230 -0.000 0.000 0.450 308 K N 0.973 121.399 120.400 0.045 0.000 2.401 308 K HA 0.392 4.702 4.320 -0.017 0.000 0.278 308 K C -0.097 176.512 176.600 0.016 0.000 1.018 308 K CA 0.788 57.090 56.287 0.025 0.000 0.981 308 K CB 0.498 33.008 32.500 0.016 0.000 0.933 308 K HN 0.165 8.415 8.250 -0.000 0.000 0.477 309 G N 3.890 112.697 108.800 0.013 0.000 3.224 309 G HA2 -0.100 3.849 3.960 -0.017 0.000 0.684 309 G HA3 -0.100 3.849 3.960 -0.017 0.000 0.684 309 G C -0.883 174.024 174.900 0.011 0.000 1.180 309 G CA -0.585 44.520 45.100 0.009 0.000 1.099 309 G HN 0.616 8.906 8.290 -0.000 0.000 0.476 310 D N 0.000 120.406 120.400 0.011 0.000 6.856 310 D HA 0.000 4.630 4.640 -0.017 0.000 0.175 310 D CA 0.000 54.007 54.000 0.012 0.000 0.868 310 D CB 0.000 40.806 40.800 0.010 0.000 0.688 310 D HN 0.000 8.370 8.370 -0.000 0.000 0.683