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 1j42_1_A DATA FIRST_RESID 3 DATA SEQUENCE SKRALVILAK GAEEMETVIP VDVMRRAGIK VTVAGLAGKD PVQCSRDVVI DATA SEQUENCE CPDASLEDAK KEGPYDVVVL PGGNLGAQNL SESAAVKEIL KEQENRKGLI DATA SEQUENCE AAICAGPTAL LAHEIGCGSK VTTHPLAKDK MMNGGHYTYS ENRVEKDGLI DATA SEQUENCE LTSRGPGTSF EFALAIVEAL NGKEVAAQVK APLVL 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 3 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 3 S C 0.000 174.601 174.600 0.002 0.000 1.055 3 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 3 S CB 0.000 63.201 63.200 0.001 0.000 0.593 4 K N 2.829 123.233 120.400 0.006 0.000 2.518 4 K HA 0.250 4.570 4.320 -0.000 0.000 0.276 4 K C 0.190 176.809 176.600 0.032 0.000 0.974 4 K CA 0.683 56.979 56.287 0.014 0.000 0.986 4 K CB 0.207 32.714 32.500 0.010 0.000 0.901 4 K HN 0.577 8.827 8.250 -0.000 0.000 0.497 5 R N 0.992 121.528 120.500 0.060 0.000 2.621 5 R HA 0.707 5.047 4.340 -0.000 0.000 0.292 5 R C -1.146 175.275 176.300 0.203 0.000 0.969 5 R CA -1.005 55.173 56.100 0.131 0.000 0.887 5 R CB 2.127 32.503 30.300 0.126 0.000 1.180 5 R HN 0.590 8.860 8.270 -0.000 0.000 0.450 6 A N 3.421 126.337 122.820 0.161 0.000 2.355 6 A HA 0.505 4.825 4.320 -0.000 0.000 0.317 6 A C -1.218 176.291 177.584 -0.125 0.000 1.094 6 A CA -0.709 51.357 52.037 0.049 0.000 0.764 6 A CB 1.434 20.427 19.000 -0.011 0.000 1.230 6 A HN 0.568 8.718 8.150 -0.000 0.000 0.448 7 L N 4.020 125.022 121.223 -0.369 0.000 2.305 7 L HA 0.658 4.998 4.340 -0.000 0.000 0.284 7 L C -1.414 175.273 176.870 -0.306 0.000 1.013 7 L CA -0.375 54.060 54.840 -0.675 0.000 0.819 7 L CB 1.268 42.537 42.059 -1.316 0.000 1.227 7 L HN 0.439 8.669 8.230 -0.000 0.000 0.417 8 V N 6.774 126.560 119.914 -0.214 0.000 2.378 8 V HA 0.398 4.518 4.120 -0.000 0.000 0.288 8 V C 0.351 176.387 176.094 -0.095 0.000 1.016 8 V CA -0.526 61.706 62.300 -0.112 0.000 0.840 8 V CB 1.769 33.550 31.823 -0.068 0.000 0.994 8 V HN 0.570 8.760 8.190 -0.000 0.000 0.431 9 I N 5.969 126.496 120.570 -0.071 0.000 2.312 9 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 9 I C -0.348 175.751 176.117 -0.029 0.000 1.031 9 I CA -0.191 61.078 61.300 -0.051 0.000 1.293 9 I CB 0.969 38.945 38.000 -0.040 0.000 1.403 9 I HN 0.303 8.513 8.210 -0.000 0.000 0.484 10 L N 7.359 128.565 121.223 -0.028 0.000 2.276 10 L HA 0.694 5.034 4.340 -0.000 0.000 0.286 10 L C -0.157 176.704 176.870 -0.014 0.000 1.024 10 L CA -0.129 54.699 54.840 -0.020 0.000 0.826 10 L CB 1.002 43.048 42.059 -0.021 0.000 1.211 10 L HN 0.691 8.921 8.230 -0.000 0.000 0.422 11 A N 5.447 128.261 122.820 -0.011 0.000 2.337 11 A HA 0.616 4.936 4.320 -0.000 0.000 0.331 11 A C -0.371 177.207 177.584 -0.010 0.000 1.137 11 A CA -0.789 51.243 52.037 -0.007 0.000 0.807 11 A CB 1.069 20.067 19.000 -0.002 0.000 1.250 11 A HN 0.760 8.910 8.150 -0.000 0.000 0.468 12 K N 0.289 120.683 120.400 -0.009 0.000 2.336 12 K HA 0.459 4.779 4.320 -0.000 0.000 0.262 12 K C 0.915 177.507 176.600 -0.013 0.000 0.992 12 K CA 0.524 56.805 56.287 -0.011 0.000 0.927 12 K CB 0.194 32.689 32.500 -0.009 0.000 0.956 12 K HN 2.000 10.250 8.250 -0.000 0.000 0.495 13 G N 0.095 108.885 108.800 -0.016 0.000 2.225 13 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.254 13 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.254 13 G C 0.343 175.228 174.900 -0.025 0.000 0.988 13 G CA 0.005 45.093 45.100 -0.021 0.000 0.625 13 G HN 1.083 9.373 8.290 -0.000 0.000 0.527 14 A N 0.280 123.086 122.820 -0.023 0.000 2.483 14 A HA 0.500 4.820 4.320 -0.000 0.000 0.238 14 A C 0.653 178.219 177.584 -0.030 0.000 1.070 14 A CA 0.307 52.328 52.037 -0.026 0.000 0.770 14 A CB 0.335 19.323 19.000 -0.021 0.000 1.008 14 A HN 0.302 8.452 8.150 -0.000 0.000 0.497 15 E N 1.520 121.698 120.200 -0.037 0.000 2.166 15 E HA 0.082 4.432 4.350 -0.000 0.000 0.279 15 E C 0.726 177.306 176.600 -0.033 0.000 1.095 15 E CA 0.053 56.431 56.400 -0.038 0.000 0.888 15 E CB 0.584 30.256 29.700 -0.048 0.000 1.041 15 E HN 0.689 9.049 8.360 -0.000 0.000 0.414 16 E N 3.411 123.595 120.200 -0.027 0.000 2.048 16 E HA -0.257 4.093 4.350 -0.000 0.000 0.202 16 E C 1.863 178.444 176.600 -0.032 0.000 1.021 16 E CA 2.179 58.564 56.400 -0.025 0.000 0.825 16 E CB -0.133 29.555 29.700 -0.018 0.000 0.756 16 E HN 0.598 8.958 8.360 -0.000 0.000 0.454 17 M N 0.218 119.797 119.600 -0.035 0.000 2.108 17 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 17 M C 2.009 178.265 176.300 -0.074 0.000 1.066 17 M CA 1.578 56.847 55.300 -0.051 0.000 1.107 17 M CB -0.419 32.158 32.600 -0.037 0.000 1.356 17 M HN 0.120 8.410 8.290 -0.000 0.000 0.406 18 E N -0.354 119.812 120.200 -0.058 0.000 2.347 18 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 18 E C 2.022 178.607 176.600 -0.025 0.000 1.008 18 E CA 1.613 57.980 56.400 -0.056 0.000 0.852 18 E CB -0.061 29.596 29.700 -0.071 0.000 0.783 18 E HN 0.653 9.013 8.360 -0.000 0.000 0.505 19 T N -2.247 112.290 114.554 -0.028 0.000 2.953 19 T HA 0.010 4.360 4.350 -0.000 0.000 0.247 19 T C 2.123 176.808 174.700 -0.026 0.000 1.029 19 T CA 0.280 62.371 62.100 -0.015 0.000 1.144 19 T CB -0.416 68.441 68.868 -0.018 0.000 0.870 19 T HN -0.056 8.184 8.240 -0.000 0.000 0.446 20 V N 1.805 121.695 119.914 -0.040 0.000 2.358 20 V HA -0.029 4.091 4.120 -0.000 0.000 0.246 20 V C 2.719 178.768 176.094 -0.074 0.000 1.047 20 V CA 1.457 63.730 62.300 -0.045 0.000 1.035 20 V CB -0.718 31.082 31.823 -0.037 0.000 0.658 20 V HN 0.473 8.663 8.190 -0.000 0.000 0.452 21 I N 0.056 120.547 120.570 -0.131 0.000 2.163 21 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 21 I C -0.229 175.790 176.117 -0.163 0.000 1.085 21 I CA 1.817 62.968 61.300 -0.248 0.000 1.347 21 I CB -1.362 36.349 38.000 -0.482 0.000 1.044 21 I HN 0.379 8.589 8.210 -0.000 0.000 0.408 22 P HA -0.055 4.365 4.420 -0.000 0.000 0.218 22 P C 1.949 179.222 177.300 -0.045 0.000 1.152 22 P CA 0.911 63.983 63.100 -0.046 0.000 0.826 22 P CB 0.130 31.849 31.700 0.031 0.000 0.790 23 V N 0.533 120.426 119.914 -0.035 0.000 2.307 23 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 23 V C 2.270 178.351 176.094 -0.021 0.000 1.045 23 V CA 2.167 64.450 62.300 -0.028 0.000 1.024 23 V CB -1.125 30.684 31.823 -0.024 0.000 0.651 23 V HN 0.192 8.382 8.190 -0.000 0.000 0.449 24 D N 0.303 120.690 120.400 -0.023 0.000 2.078 24 D HA -0.149 4.491 4.640 -0.000 0.000 0.193 24 D C 2.169 178.473 176.300 0.006 0.000 0.990 24 D CA 1.805 55.802 54.000 -0.005 0.000 0.827 24 D CB -0.077 40.722 40.800 -0.002 0.000 0.975 24 D HN 0.235 8.605 8.370 -0.000 0.000 0.451 25 V N 1.204 121.119 119.914 0.001 0.000 2.231 25 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 25 V C 2.857 178.953 176.094 0.004 0.000 1.054 25 V CA 2.026 64.339 62.300 0.022 0.000 1.015 25 V CB -0.526 31.309 31.823 0.020 0.000 0.638 25 V HN 0.290 8.480 8.190 -0.000 0.000 0.444 26 M N -0.981 118.607 119.600 -0.020 0.000 2.149 26 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 26 M C 2.383 178.678 176.300 -0.008 0.000 1.064 26 M CA 1.776 57.061 55.300 -0.024 0.000 1.102 26 M CB -0.500 32.076 32.600 -0.040 0.000 1.369 26 M HN 0.250 8.540 8.290 -0.000 0.000 0.408 27 R N -0.275 120.223 120.500 -0.003 0.000 2.115 27 R HA -0.060 4.280 4.340 -0.000 0.000 0.230 27 R C 2.103 178.408 176.300 0.008 0.000 1.111 27 R CA 0.952 57.054 56.100 0.003 0.000 0.976 27 R CB -0.318 29.984 30.300 0.004 0.000 0.870 27 R HN 0.436 8.706 8.270 -0.000 0.000 0.445 28 R N 0.321 120.829 120.500 0.013 0.000 2.189 28 R HA -0.019 4.321 4.340 -0.000 0.000 0.223 28 R C 1.692 177.999 176.300 0.013 0.000 1.092 28 R CA 1.112 57.223 56.100 0.018 0.000 0.989 28 R CB -0.011 30.307 30.300 0.030 0.000 0.876 28 R HN 0.119 8.389 8.270 -0.000 0.000 0.457 29 A N -0.075 122.749 122.820 0.008 0.000 2.307 29 A HA 0.268 4.588 4.320 -0.000 0.000 0.218 29 A C 1.217 178.803 177.584 0.003 0.000 1.228 29 A CA 0.514 52.554 52.037 0.004 0.000 0.857 29 A CB -0.023 18.975 19.000 -0.002 0.000 0.897 29 A HN 0.385 8.535 8.150 -0.000 0.000 0.495 30 G N -0.309 108.494 108.800 0.005 0.000 2.153 30 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.252 30 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.252 30 G C 0.156 175.060 174.900 0.006 0.000 0.994 30 G CA 0.509 45.612 45.100 0.006 0.000 0.698 30 G HN 1.475 9.765 8.290 -0.000 0.000 0.521 31 I N -1.081 119.492 120.570 0.006 0.000 2.359 31 I HA 0.641 4.811 4.170 -0.000 0.000 0.294 31 I C 0.288 176.416 176.117 0.018 0.000 0.987 31 I CA -1.470 59.837 61.300 0.011 0.000 1.225 31 I CB 0.827 38.829 38.000 0.004 0.000 1.366 31 I HN 0.024 8.234 8.210 -0.000 0.000 0.466 32 K N 6.235 126.653 120.400 0.030 0.000 2.363 32 K HA 0.304 4.624 4.320 -0.000 0.000 0.289 32 K C -0.993 175.640 176.600 0.055 0.000 1.063 32 K CA -0.281 56.030 56.287 0.041 0.000 0.967 32 K CB 0.683 33.213 32.500 0.050 0.000 0.987 32 K HN 0.536 8.786 8.250 -0.000 0.000 0.473 33 V N 3.335 123.268 119.914 0.031 0.000 2.394 33 V HA 0.167 4.287 4.120 -0.000 0.000 0.282 33 V C 0.122 176.219 176.094 0.006 0.000 1.031 33 V CA -0.633 61.673 62.300 0.010 0.000 0.881 33 V CB 1.702 33.518 31.823 -0.011 0.000 0.982 33 V HN 0.671 8.861 8.190 -0.000 0.000 0.451 34 T N 4.384 118.925 114.554 -0.023 0.000 2.772 34 T HA 0.374 4.724 4.350 -0.000 0.000 0.288 34 T C -0.171 174.481 174.700 -0.079 0.000 0.994 34 T CA -0.303 61.779 62.100 -0.030 0.000 0.951 34 T CB 1.303 70.171 68.868 0.000 0.000 0.933 34 T HN 0.337 8.577 8.240 -0.000 0.000 0.447 35 V N 3.700 123.586 119.914 -0.046 0.000 2.322 35 V HA 0.507 4.627 4.120 -0.000 0.000 0.258 35 V C 0.567 176.635 176.094 -0.043 0.000 1.074 35 V CA -0.720 61.551 62.300 -0.047 0.000 0.909 35 V CB 0.038 31.844 31.823 -0.029 0.000 1.090 35 V HN 1.025 9.215 8.190 -0.000 0.000 0.486 36 A N 4.260 127.043 122.820 -0.061 0.000 2.260 36 A HA 0.701 5.021 4.320 -0.000 0.000 0.308 36 A C 0.760 178.324 177.584 -0.033 0.000 1.254 36 A CA -0.127 51.883 52.037 -0.045 0.000 0.874 36 A CB 0.656 19.620 19.000 -0.060 0.000 1.153 36 A HN 0.878 9.028 8.150 -0.000 0.000 0.527 37 G N 1.576 110.364 108.800 -0.020 0.000 2.354 37 G HA2 0.365 4.325 3.960 -0.000 0.000 0.266 37 G HA3 0.365 4.325 3.960 -0.000 0.000 0.266 37 G C 0.754 175.646 174.900 -0.012 0.000 1.242 37 G CA -0.236 44.855 45.100 -0.015 0.000 0.923 37 G HN 0.995 9.285 8.290 -0.000 0.000 0.476 38 L N 3.234 124.450 121.223 -0.012 0.000 2.081 38 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 38 L C 2.536 179.404 176.870 -0.003 0.000 1.080 38 L CA 2.798 57.633 54.840 -0.007 0.000 0.754 38 L CB -0.093 41.965 42.059 -0.002 0.000 0.893 38 L HN 0.525 8.755 8.230 -0.000 0.000 0.433 39 A N -1.891 120.928 122.820 -0.002 0.000 2.308 39 A HA 0.608 4.928 4.320 -0.000 0.000 0.217 39 A C 1.116 178.700 177.584 -0.000 0.000 1.216 39 A CA 0.550 52.587 52.037 -0.000 0.000 0.864 39 A CB -0.396 18.604 19.000 -0.000 0.000 0.902 39 A HN 0.678 8.828 8.150 -0.000 0.000 0.499 40 G N -2.262 106.537 108.800 -0.002 0.000 2.334 40 G HA2 0.413 4.373 3.960 -0.000 0.000 0.249 40 G HA3 0.413 4.373 3.960 -0.000 0.000 0.249 40 G C 0.439 175.338 174.900 -0.001 0.000 1.327 40 G CA 0.351 45.451 45.100 -0.000 0.000 0.979 40 G HN 0.734 9.024 8.290 -0.000 0.000 0.471 41 K N -0.436 119.964 120.400 -0.000 0.000 2.367 41 K HA 0.439 4.759 4.320 -0.000 0.000 0.194 41 K C 0.676 177.276 176.600 -0.001 0.000 1.027 41 K CA 1.375 57.662 56.287 -0.000 0.000 1.075 41 K CB -0.243 32.258 32.500 0.002 0.000 0.845 41 K HN 0.583 8.833 8.250 -0.000 0.000 0.529 42 D N 1.404 121.803 120.400 -0.001 0.000 2.400 42 D HA 0.190 4.830 4.640 -0.000 0.000 0.238 42 D C -2.381 173.917 176.300 -0.003 0.000 1.157 42 D CA -1.654 52.345 54.000 -0.002 0.000 0.889 42 D CB 0.866 41.666 40.800 -0.001 0.000 1.199 42 D HN 0.119 8.489 8.370 -0.000 0.000 0.436 43 P HA 0.042 4.462 4.420 -0.000 0.000 0.268 43 P C -0.828 176.469 177.300 -0.005 0.000 1.205 43 P CA -0.094 63.003 63.100 -0.004 0.000 0.771 43 P CB 0.616 32.315 31.700 -0.003 0.000 0.858 44 V N 3.462 123.372 119.914 -0.006 0.000 2.435 44 V HA 0.278 4.398 4.120 -0.000 0.000 0.290 44 V C 0.219 176.308 176.094 -0.008 0.000 1.030 44 V CA -0.512 61.784 62.300 -0.008 0.000 0.881 44 V CB 1.372 33.189 31.823 -0.009 0.000 0.983 44 V HN 0.472 8.662 8.190 -0.000 0.000 0.445 45 Q N 3.033 122.828 119.800 -0.008 0.000 2.349 45 Q HA 0.327 4.667 4.340 -0.000 0.000 0.254 45 Q C -0.643 175.351 176.000 -0.011 0.000 0.980 45 Q CA -0.438 55.360 55.803 -0.009 0.000 0.924 45 Q CB 0.959 29.693 28.738 -0.008 0.000 1.209 45 Q HN 0.903 9.173 8.270 -0.000 0.000 0.445 46 C N 1.603 120.895 119.300 -0.012 0.000 2.470 46 C HA 0.133 4.593 4.460 -0.000 0.000 0.350 46 C C 2.293 177.273 174.990 -0.017 0.000 1.341 46 C CA 0.029 59.038 59.018 -0.016 0.000 2.440 46 C CB 0.898 28.628 27.740 -0.017 0.000 2.295 46 C HN 1.101 9.331 8.230 -0.000 0.000 0.645 47 S N 1.143 116.830 115.700 -0.021 0.000 2.389 47 S HA -0.239 4.231 4.470 -0.000 0.000 0.231 47 S C 1.257 175.845 174.600 -0.020 0.000 1.052 47 S CA 1.710 59.895 58.200 -0.024 0.000 1.053 47 S CB -0.338 62.843 63.200 -0.032 0.000 0.886 47 S HN 0.752 9.062 8.310 -0.000 0.000 0.456 48 R N 1.088 121.577 120.500 -0.017 0.000 2.568 48 R HA 0.312 4.652 4.340 -0.000 0.000 0.288 48 R C -0.181 176.113 176.300 -0.010 0.000 1.077 48 R CA 0.364 56.456 56.100 -0.013 0.000 1.102 48 R CB -0.627 29.666 30.300 -0.011 0.000 1.278 48 R HN 0.342 8.612 8.270 -0.000 0.000 0.560 49 D N -1.798 118.596 120.400 -0.010 0.000 2.946 49 D HA -0.166 4.474 4.640 -0.000 0.000 0.202 49 D C -0.024 176.272 176.300 -0.007 0.000 1.068 49 D CA 1.356 55.352 54.000 -0.008 0.000 1.011 49 D CB -1.395 39.402 40.800 -0.006 0.000 1.105 49 D HN 0.264 8.634 8.370 -0.000 0.000 0.425 50 V N -0.961 118.948 119.914 -0.007 0.000 2.614 50 V HA 0.460 4.580 4.120 -0.000 0.000 0.291 50 V C 0.470 176.560 176.094 -0.007 0.000 1.049 50 V CA -0.481 61.816 62.300 -0.006 0.000 1.038 50 V CB 1.828 33.648 31.823 -0.006 0.000 0.980 50 V HN -0.060 8.130 8.190 -0.000 0.000 0.481 51 V N 7.013 126.924 119.914 -0.005 0.000 2.370 51 V HA 0.496 4.616 4.120 -0.000 0.000 0.283 51 V C -0.005 176.086 176.094 -0.005 0.000 1.023 51 V CA -0.318 61.978 62.300 -0.006 0.000 0.857 51 V CB 0.968 32.788 31.823 -0.004 0.000 0.985 51 V HN 0.819 9.009 8.190 -0.000 0.000 0.443 52 I N 4.113 124.679 120.570 -0.007 0.000 2.412 52 I HA 0.409 4.579 4.170 -0.000 0.000 0.296 52 I C 0.044 176.157 176.117 -0.006 0.000 0.987 52 I CA 0.088 61.384 61.300 -0.007 0.000 1.180 52 I CB 1.581 39.575 38.000 -0.010 0.000 1.340 52 I HN 0.549 8.759 8.210 -0.000 0.000 0.455 53 C N 7.474 126.771 119.300 -0.005 0.000 2.325 53 C HA 0.471 4.931 4.460 -0.000 0.000 0.347 53 C C -1.982 173.004 174.990 -0.006 0.000 1.263 53 C CA -1.051 57.965 59.018 -0.004 0.000 1.806 53 C CB -0.080 27.659 27.740 -0.002 0.000 2.405 53 C HN 0.531 8.761 8.230 -0.000 0.000 0.537 54 P HA 0.156 4.576 4.420 -0.000 0.000 0.272 54 P C 0.354 177.651 177.300 -0.005 0.000 1.230 54 P CA 0.026 63.121 63.100 -0.009 0.000 0.788 54 P CB 0.705 32.399 31.700 -0.010 0.000 0.949 55 D N -0.120 120.277 120.400 -0.006 0.000 2.224 55 D HA 0.125 4.765 4.640 -0.000 0.000 0.205 55 D C 0.677 176.980 176.300 0.004 0.000 0.965 55 D CA 1.209 55.210 54.000 0.001 0.000 0.852 55 D CB 0.176 40.977 40.800 0.002 0.000 0.947 55 D HN 0.444 8.814 8.370 -0.000 0.000 0.494 56 A N -0.589 122.231 122.820 0.001 0.000 2.515 56 A HA 0.500 4.820 4.320 -0.000 0.000 0.292 56 A C -0.828 176.756 177.584 0.000 0.000 1.065 56 A CA -0.469 51.571 52.037 0.006 0.000 0.641 56 A CB 0.637 19.647 19.000 0.016 0.000 1.306 56 A HN 0.010 8.160 8.150 -0.000 0.000 0.441 57 S N -0.122 115.580 115.700 0.004 0.000 2.610 57 S HA 0.533 5.003 4.470 -0.000 0.000 0.273 57 S C 1.089 175.690 174.600 0.002 0.000 1.274 57 S CA -0.404 57.796 58.200 0.001 0.000 1.023 57 S CB 0.906 64.108 63.200 0.003 0.000 0.962 57 S HN 0.932 9.242 8.310 -0.000 0.000 0.523 58 L N 1.351 122.572 121.223 -0.005 0.000 2.043 58 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 58 L C 3.304 180.180 176.870 0.011 0.000 1.075 58 L CA 2.518 57.355 54.840 -0.005 0.000 0.752 58 L CB -1.413 40.639 42.059 -0.011 0.000 0.891 58 L HN 1.084 9.314 8.230 -0.000 0.000 0.432 59 E N 0.200 120.405 120.200 0.009 0.000 2.068 59 E HA -0.348 4.002 4.350 -0.000 0.000 0.207 59 E C 1.710 178.322 176.600 0.021 0.000 1.032 59 E CA 2.160 58.567 56.400 0.013 0.000 0.839 59 E CB -0.933 28.773 29.700 0.009 0.000 0.758 59 E HN 0.603 8.963 8.360 -0.000 0.000 0.457 60 D N -0.255 120.158 120.400 0.023 0.000 2.091 60 D HA 0.071 4.711 4.640 -0.000 0.000 0.199 60 D C 2.362 178.693 176.300 0.052 0.000 0.980 60 D CA 1.741 55.760 54.000 0.030 0.000 0.831 60 D CB -0.766 40.049 40.800 0.026 0.000 0.987 60 D HN 0.508 8.878 8.370 -0.000 0.000 0.460 61 A N 1.433 124.291 122.820 0.062 0.000 1.927 61 A HA -0.302 4.018 4.320 -0.000 0.000 0.220 61 A C 2.087 179.780 177.584 0.182 0.000 1.185 61 A CA 2.453 54.561 52.037 0.119 0.000 0.639 61 A CB -0.732 18.302 19.000 0.056 0.000 0.820 61 A HN 0.245 8.395 8.150 -0.000 0.000 0.451 62 K N -0.181 120.287 120.400 0.115 0.000 2.113 62 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 62 K C 1.858 178.514 176.600 0.093 0.000 1.047 62 K CA 2.060 58.417 56.287 0.116 0.000 0.928 62 K CB -0.168 32.366 32.500 0.056 0.000 0.716 62 K HN 0.456 8.706 8.250 -0.000 0.000 0.446 63 K N 0.524 120.961 120.400 0.061 0.000 2.211 63 K HA -0.042 4.278 4.320 -0.000 0.000 0.203 63 K C 0.297 176.903 176.600 0.010 0.000 1.050 63 K CA 0.733 57.037 56.287 0.029 0.000 0.945 63 K CB 0.192 32.704 32.500 0.021 0.000 0.732 63 K HN 0.084 8.334 8.250 -0.000 0.000 0.451 64 E N 1.627 121.845 120.200 0.031 0.000 2.614 64 E HA 0.069 4.419 4.350 -0.000 0.000 0.321 64 E C 0.687 177.174 176.600 -0.188 0.000 1.354 64 E CA 0.254 56.633 56.400 -0.035 0.000 1.469 64 E CB -1.131 28.589 29.700 0.034 0.000 1.197 64 E HN 0.372 8.732 8.360 -0.000 0.000 0.497 65 G N 2.857 111.573 108.800 -0.140 0.000 2.625 65 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.311 65 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.311 65 G C -2.212 172.499 174.900 -0.315 0.000 1.324 65 G CA -0.751 44.240 45.100 -0.182 0.000 0.918 65 G HN 0.317 8.607 8.290 -0.000 0.000 0.556 66 P HA 0.534 4.954 4.420 -0.000 0.000 0.276 66 P C -0.851 176.161 177.300 -0.481 0.000 1.252 66 P CA -0.215 62.736 63.100 -0.250 0.000 0.802 66 P CB 0.444 32.081 31.700 -0.104 0.000 1.035 67 Y N -0.537 119.758 120.300 -0.008 0.000 2.485 67 Y HA 0.215 4.765 4.550 -0.000 0.000 0.345 67 Y C 1.444 177.338 175.900 -0.010 0.000 0.998 67 Y CA -0.223 57.872 58.100 -0.009 0.000 1.059 67 Y CB 1.237 39.692 38.460 -0.009 0.000 1.234 67 Y HN 0.355 8.635 8.280 -0.000 0.000 0.461 68 D N 0.942 121.417 120.400 0.125 0.000 2.312 68 D HA -0.035 4.605 4.640 -0.000 0.000 0.211 68 D C -0.301 176.037 176.300 0.065 0.000 0.964 68 D CA 1.210 55.249 54.000 0.065 0.000 0.877 68 D CB 0.801 41.623 40.800 0.036 0.000 0.924 68 D HN 0.175 8.545 8.370 -0.000 0.000 0.515 69 V N 0.538 120.508 119.914 0.093 0.000 2.852 69 V HA 0.270 4.390 4.120 -0.000 0.000 0.300 69 V C -1.671 174.440 176.094 0.028 0.000 1.205 69 V CA -0.865 61.461 62.300 0.043 0.000 0.940 69 V CB 2.479 34.298 31.823 -0.008 0.000 1.047 69 V HN -0.174 8.016 8.190 -0.000 0.000 0.429 70 V N 7.805 127.727 119.914 0.013 0.000 2.357 70 V HA 0.803 4.923 4.120 -0.000 0.000 0.284 70 V C -0.760 175.331 176.094 -0.006 0.000 1.018 70 V CA 0.063 62.344 62.300 -0.031 0.000 0.841 70 V CB 1.746 33.562 31.823 -0.013 0.000 0.991 70 V HN 1.387 9.577 8.190 -0.000 0.000 0.437 71 V N 8.214 128.119 119.914 -0.015 0.000 2.417 71 V HA 0.661 4.781 4.120 -0.000 0.000 0.291 71 V C -1.058 175.072 176.094 0.060 0.000 1.024 71 V CA -0.573 61.760 62.300 0.055 0.000 0.861 71 V CB 1.602 33.461 31.823 0.060 0.000 0.985 71 V HN 0.787 8.977 8.190 -0.000 0.000 0.436 72 L N 9.023 130.301 121.223 0.093 0.000 2.262 72 L HA 0.614 4.954 4.340 -0.000 0.000 0.288 72 L C -2.179 174.711 176.870 0.032 0.000 1.035 72 L CA -1.646 53.224 54.840 0.049 0.000 0.820 72 L CB 0.792 42.876 42.059 0.041 0.000 1.204 72 L HN 0.515 8.745 8.230 -0.000 0.000 0.424 73 P HA 0.259 4.679 4.420 -0.000 0.000 0.273 73 P C 0.246 177.516 177.300 -0.050 0.000 1.250 73 P CA -0.269 62.820 63.100 -0.018 0.000 0.793 73 P CB 0.763 32.456 31.700 -0.011 0.000 1.011 74 G N -0.938 107.817 108.800 -0.074 0.000 2.574 74 G HA2 0.544 4.504 3.960 -0.000 0.000 0.248 74 G HA3 0.544 4.504 3.960 -0.000 0.000 0.248 74 G C -0.213 174.652 174.900 -0.059 0.000 1.422 74 G CA -0.510 44.545 45.100 -0.075 0.000 1.051 74 G HN 0.820 9.110 8.290 -0.000 0.000 0.560 75 G N -1.156 107.602 108.800 -0.069 0.000 3.439 75 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.686 75 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.686 75 G C 0.362 175.226 174.900 -0.060 0.000 1.075 75 G CA 0.443 45.504 45.100 -0.065 0.000 0.926 75 G HN 0.767 9.057 8.290 -0.000 0.000 0.485 76 N N 0.325 118.981 118.700 -0.072 0.000 2.027 76 N HA -0.206 4.534 4.740 -0.000 0.000 0.200 76 N C 2.532 178.017 175.510 -0.042 0.000 1.042 76 N CA 2.385 55.398 53.050 -0.061 0.000 0.871 76 N CB -0.150 38.297 38.487 -0.066 0.000 1.063 76 N HN 0.532 8.912 8.380 -0.000 0.000 0.438 77 L N -0.038 121.163 121.223 -0.037 0.000 2.046 77 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 77 L C 2.433 179.290 176.870 -0.022 0.000 1.077 77 L CA 1.816 56.640 54.840 -0.027 0.000 0.747 77 L CB -1.316 40.728 42.059 -0.024 0.000 0.896 77 L HN 0.285 8.515 8.230 -0.000 0.000 0.432 78 G N -0.935 107.850 108.800 -0.024 0.000 2.446 78 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 78 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 78 G C 1.684 176.576 174.900 -0.013 0.000 1.168 78 G CA 0.940 46.029 45.100 -0.018 0.000 0.771 78 G HN 0.505 8.795 8.290 -0.000 0.000 0.551 79 A N -0.233 122.575 122.820 -0.020 0.000 2.015 79 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 79 A C 2.291 179.869 177.584 -0.010 0.000 1.163 79 A CA 2.199 54.228 52.037 -0.014 0.000 0.646 79 A CB -0.317 18.667 19.000 -0.026 0.000 0.806 79 A HN 0.415 8.565 8.150 -0.000 0.000 0.448 80 Q N 0.732 120.523 119.800 -0.015 0.000 2.083 80 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 80 Q C 1.808 177.806 176.000 -0.003 0.000 0.969 80 Q CA 1.896 57.690 55.803 -0.015 0.000 0.838 80 Q CB -0.402 28.326 28.738 -0.018 0.000 0.900 80 Q HN 0.664 8.934 8.270 -0.000 0.000 0.436 81 N N -0.079 118.622 118.700 0.002 0.000 2.069 81 N HA -0.144 4.596 4.740 -0.000 0.000 0.191 81 N C 1.805 177.335 175.510 0.033 0.000 1.031 81 N CA 1.461 54.518 53.050 0.012 0.000 0.852 81 N CB -0.291 38.200 38.487 0.007 0.000 1.018 81 N HN 0.295 8.675 8.380 -0.000 0.000 0.423 82 L N 0.793 122.040 121.223 0.040 0.000 2.017 82 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 82 L C 2.299 179.266 176.870 0.161 0.000 1.073 82 L CA 0.936 55.826 54.840 0.083 0.000 0.745 82 L CB -0.518 41.582 42.059 0.068 0.000 0.894 82 L HN 0.068 8.298 8.230 -0.000 0.000 0.432 83 S N -0.439 115.298 115.700 0.062 0.000 2.440 83 S HA -0.174 4.296 4.470 -0.000 0.000 0.238 83 S C 1.500 176.055 174.600 -0.075 0.000 1.010 83 S CA 1.220 59.377 58.200 -0.072 0.000 0.972 83 S CB -0.242 62.898 63.200 -0.100 0.000 0.774 83 S HN 0.501 8.811 8.310 -0.000 0.000 0.501 84 E N 0.560 120.778 120.200 0.030 0.000 2.481 84 E HA 0.150 4.500 4.350 -0.000 0.000 0.198 84 E C 0.171 176.829 176.600 0.096 0.000 1.027 84 E CA -0.178 56.247 56.400 0.042 0.000 0.900 84 E CB 0.451 30.162 29.700 0.018 0.000 0.993 84 E HN 0.173 8.533 8.360 -0.000 0.000 0.482 85 S N 0.395 116.187 115.700 0.154 0.000 2.452 85 S HA 0.401 4.871 4.470 -0.000 0.000 0.284 85 S C 0.976 175.637 174.600 0.102 0.000 1.171 85 S CA -0.206 58.059 58.200 0.108 0.000 1.064 85 S CB 1.322 64.563 63.200 0.068 0.000 0.967 85 S HN 0.228 8.538 8.310 -0.000 0.000 0.484 86 A N 5.386 128.240 122.820 0.057 0.000 1.930 86 A HA 0.158 4.478 4.320 -0.000 0.000 0.217 86 A C 2.338 179.896 177.584 -0.043 0.000 1.175 86 A CA 1.637 53.687 52.037 0.021 0.000 0.627 86 A CB -1.257 17.757 19.000 0.023 0.000 0.815 86 A HN 1.201 9.351 8.150 -0.000 0.000 0.443 87 A N -0.386 122.416 122.820 -0.031 0.000 1.883 87 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 87 A C 2.213 179.743 177.584 -0.089 0.000 1.186 87 A CA 1.912 53.923 52.037 -0.042 0.000 0.624 87 A CB -0.996 17.992 19.000 -0.020 0.000 0.822 87 A HN 0.422 8.572 8.150 -0.000 0.000 0.444 88 V N 0.245 120.090 119.914 -0.115 0.000 2.407 88 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 88 V C 2.514 178.360 176.094 -0.414 0.000 1.055 88 V CA 2.343 64.534 62.300 -0.182 0.000 1.049 88 V CB -0.691 31.075 31.823 -0.096 0.000 0.662 88 V HN 0.676 8.866 8.190 -0.000 0.000 0.455 89 K N 0.379 120.378 120.400 -0.670 0.000 2.063 89 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 89 K C 2.310 178.748 176.600 -0.269 0.000 1.048 89 K CA 2.001 57.827 56.287 -0.768 0.000 0.928 89 K CB -0.168 32.099 32.500 -0.388 0.000 0.713 89 K HN 0.594 8.844 8.250 -0.000 0.000 0.442 90 E N 1.110 121.214 120.200 -0.159 0.000 2.072 90 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 90 E C 1.859 178.424 176.600 -0.057 0.000 0.985 90 E CA 1.434 57.790 56.400 -0.074 0.000 0.801 90 E CB -0.660 29.014 29.700 -0.044 0.000 0.750 90 E HN 0.449 8.809 8.360 -0.000 0.000 0.452 91 I N 0.150 120.680 120.570 -0.066 0.000 2.142 91 I HA -0.205 3.965 4.170 -0.000 0.000 0.240 91 I C 2.795 178.898 176.117 -0.023 0.000 1.078 91 I CA 1.171 62.455 61.300 -0.026 0.000 1.343 91 I CB -0.223 37.764 38.000 -0.022 0.000 1.046 91 I HN 0.232 8.442 8.210 -0.000 0.000 0.405 92 L N 0.334 121.522 121.223 -0.059 0.000 2.012 92 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 92 L C 2.677 179.547 176.870 0.000 0.000 1.073 92 L CA 1.362 56.190 54.840 -0.020 0.000 0.748 92 L CB -0.731 41.313 42.059 -0.025 0.000 0.891 92 L HN 0.196 8.426 8.230 -0.000 0.000 0.431 93 K N 0.195 120.585 120.400 -0.017 0.000 2.097 93 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 93 K C 2.314 178.918 176.600 0.007 0.000 1.049 93 K CA 1.821 58.110 56.287 0.002 0.000 0.933 93 K CB -0.414 32.083 32.500 -0.006 0.000 0.717 93 K HN 0.484 8.734 8.250 -0.000 0.000 0.442 94 E N 1.257 121.459 120.200 0.004 0.000 2.047 94 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 94 E C 1.909 178.521 176.600 0.020 0.000 0.987 94 E CA 1.559 57.966 56.400 0.011 0.000 0.799 94 E CB -0.602 29.106 29.700 0.013 0.000 0.752 94 E HN 0.313 8.673 8.360 -0.000 0.000 0.449 95 Q N 0.169 119.985 119.800 0.028 0.000 2.181 95 Q HA -0.158 4.182 4.340 -0.000 0.000 0.205 95 Q C 1.973 177.992 176.000 0.032 0.000 0.980 95 Q CA 2.181 58.006 55.803 0.037 0.000 0.862 95 Q CB -0.118 28.648 28.738 0.046 0.000 0.905 95 Q HN 0.758 9.028 8.270 -0.000 0.000 0.429 96 E N -1.143 119.075 120.200 0.030 0.000 2.230 96 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 96 E C 1.235 177.850 176.600 0.025 0.000 0.987 96 E CA 0.752 57.171 56.400 0.032 0.000 0.841 96 E CB 0.038 29.761 29.700 0.039 0.000 0.783 96 E HN 0.563 8.923 8.360 -0.000 0.000 0.481 97 N N -0.525 118.187 118.700 0.019 0.000 2.173 97 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 97 N C 2.143 177.661 175.510 0.013 0.000 1.025 97 N CA 1.022 54.080 53.050 0.014 0.000 0.852 97 N CB -0.158 38.335 38.487 0.011 0.000 0.998 97 N HN 0.034 8.414 8.380 -0.000 0.000 0.427 98 R N 1.959 122.467 120.500 0.013 0.000 2.341 98 R HA 0.004 4.344 4.340 -0.000 0.000 0.213 98 R C 0.970 177.278 176.300 0.013 0.000 1.082 98 R CA 0.963 57.069 56.100 0.011 0.000 1.017 98 R CB -1.119 29.188 30.300 0.011 0.000 0.860 98 R HN 0.290 8.560 8.270 -0.000 0.000 0.473 99 K N -2.093 118.317 120.400 0.017 0.000 3.192 99 K HA -0.116 4.204 4.320 -0.000 0.000 0.278 99 K C 0.553 177.166 176.600 0.020 0.000 1.164 99 K CA 0.364 56.662 56.287 0.018 0.000 0.816 99 K CB -1.865 30.643 32.500 0.014 0.000 1.256 99 K HN 0.738 8.988 8.250 -0.000 0.000 0.497 100 G N 0.445 109.260 108.800 0.026 0.000 2.522 100 G HA2 0.506 4.466 3.960 -0.000 0.000 0.304 100 G HA3 0.506 4.466 3.960 -0.000 0.000 0.304 100 G C -0.595 174.324 174.900 0.032 0.000 1.210 100 G CA -0.778 44.340 45.100 0.029 0.000 0.960 100 G HN 0.117 8.407 8.290 -0.000 0.000 0.497 101 L N -0.170 121.071 121.223 0.029 0.000 2.397 101 L HA 0.564 4.904 4.340 -0.000 0.000 0.271 101 L C -0.278 176.611 176.870 0.032 0.000 1.148 101 L CA -0.058 54.797 54.840 0.024 0.000 0.825 101 L CB 0.659 42.722 42.059 0.007 0.000 1.117 101 L HN 0.316 8.546 8.230 -0.000 0.000 0.456 102 I N 4.796 125.390 120.570 0.039 0.000 2.466 102 I HA 0.624 4.794 4.170 -0.000 0.000 0.289 102 I C -0.596 175.565 176.117 0.073 0.000 1.026 102 I CA -0.581 60.751 61.300 0.052 0.000 1.078 102 I CB 1.811 39.848 38.000 0.061 0.000 1.249 102 I HN 0.743 8.953 8.210 -0.000 0.000 0.429 103 A N 5.133 128.013 122.820 0.101 0.000 2.371 103 A HA 0.963 5.283 4.320 -0.000 0.000 0.311 103 A C -0.983 176.799 177.584 0.330 0.000 1.068 103 A CA -0.516 51.655 52.037 0.224 0.000 0.744 103 A CB 1.691 20.742 19.000 0.085 0.000 1.239 103 A HN 0.804 8.954 8.150 -0.000 0.000 0.435 104 A N 2.160 125.160 122.820 0.300 0.000 2.427 104 A HA 0.723 5.043 4.320 -0.000 0.000 0.298 104 A C -1.000 176.428 177.584 -0.261 0.000 1.036 104 A CA -0.270 51.801 52.037 0.058 0.000 0.701 104 A CB 0.848 19.856 19.000 0.013 0.000 1.250 104 A HN 1.336 9.486 8.150 -0.000 0.000 0.412 105 I N 1.830 122.103 120.570 -0.495 0.000 2.693 105 I HA 0.560 4.730 4.170 -0.000 0.000 0.303 105 I C 0.929 176.869 176.117 -0.295 0.000 1.025 105 I CA 0.005 60.906 61.300 -0.664 0.000 1.086 105 I CB 1.591 38.917 38.000 -1.123 0.000 1.268 105 I HN 1.281 9.491 8.210 -0.000 0.000 0.440 106 C N 3.822 123.003 119.300 -0.200 0.000 1.690 106 C HA -0.340 4.120 4.460 -0.000 0.000 0.095 106 C C 2.134 177.112 174.990 -0.020 0.000 0.715 106 C CA 1.048 60.037 59.018 -0.049 0.000 0.789 106 C CB -1.700 26.005 27.740 -0.058 0.000 3.214 106 C HN 1.033 9.263 8.230 -0.000 0.000 1.074 107 A N 0.685 123.480 122.820 -0.043 0.000 2.178 107 A HA 0.411 4.731 4.320 -0.000 0.000 0.211 107 A C 2.115 179.673 177.584 -0.044 0.000 1.157 107 A CA 2.016 54.030 52.037 -0.037 0.000 0.780 107 A CB -0.954 18.012 19.000 -0.056 0.000 0.828 107 A HN 1.993 10.143 8.150 -0.000 0.000 0.476 108 G N 1.592 110.355 108.800 -0.061 0.000 2.469 108 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 108 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 108 G C -0.006 174.871 174.900 -0.038 0.000 1.150 108 G CA 1.345 46.416 45.100 -0.049 0.000 0.763 108 G HN 0.541 8.831 8.290 -0.000 0.000 0.561 109 P HA -0.107 4.313 4.420 -0.000 0.000 0.221 109 P C 1.859 179.113 177.300 -0.076 0.000 1.145 109 P CA 1.859 64.913 63.100 -0.076 0.000 0.795 109 P CB -0.492 31.138 31.700 -0.117 0.000 0.775 110 T N -3.323 111.202 114.554 -0.048 0.000 3.139 110 T HA 0.095 4.445 4.350 -0.000 0.000 0.267 110 T C 1.778 176.469 174.700 -0.015 0.000 1.164 110 T CA 0.884 62.967 62.100 -0.028 0.000 1.075 110 T CB -0.674 68.183 68.868 -0.018 0.000 0.904 110 T HN 0.045 8.285 8.240 -0.000 0.000 0.540 111 A N 1.279 124.098 122.820 -0.002 0.000 1.975 111 A HA 0.381 4.701 4.320 -0.000 0.000 0.215 111 A C 2.277 179.911 177.584 0.083 0.000 1.170 111 A CA 0.359 52.413 52.037 0.028 0.000 0.656 111 A CB -0.486 18.564 19.000 0.082 0.000 0.821 111 A HN 0.533 8.683 8.150 -0.000 0.000 0.449 112 L N -0.729 120.545 121.223 0.085 0.000 2.141 112 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 112 L C 2.502 179.494 176.870 0.203 0.000 1.094 112 L CA 0.901 55.828 54.840 0.146 0.000 0.763 112 L CB -0.586 41.533 42.059 0.100 0.000 0.908 112 L HN 0.449 8.679 8.230 -0.000 0.000 0.437 113 L N 0.603 121.932 121.223 0.178 0.000 2.005 113 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 113 L C 2.686 179.594 176.870 0.064 0.000 1.072 113 L CA 2.067 57.057 54.840 0.250 0.000 0.744 113 L CB -0.785 41.421 42.059 0.245 0.000 0.895 113 L HN 0.118 8.348 8.230 -0.000 0.000 0.433 114 A N -1.474 121.314 122.820 -0.052 0.000 1.940 114 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 114 A C 1.895 179.320 177.584 -0.265 0.000 1.176 114 A CA 1.779 53.694 52.037 -0.203 0.000 0.631 114 A CB -0.908 17.883 19.000 -0.348 0.000 0.814 114 A HN 0.716 8.866 8.150 -0.000 0.000 0.446 115 H N -0.618 118.473 119.070 0.036 0.000 2.517 115 H HA 0.201 4.757 4.556 -0.000 0.000 0.282 115 H C -0.307 175.032 175.328 0.018 0.000 1.023 115 H CA 0.486 56.548 56.048 0.023 0.000 1.169 115 H CB -0.172 29.607 29.762 0.027 0.000 1.454 115 H HN 0.660 8.940 8.280 -0.000 0.000 0.556 116 E N 0.728 120.976 120.200 0.080 0.000 2.297 116 E HA -0.159 4.191 4.350 -0.000 0.000 0.228 116 E C -0.572 176.067 176.600 0.065 0.000 1.213 116 E CA 0.048 56.459 56.400 0.018 0.000 0.712 116 E CB -0.994 28.685 29.700 -0.036 0.000 1.202 116 E HN 0.282 8.642 8.360 -0.000 0.000 0.376 117 I N 0.488 121.145 120.570 0.146 0.000 2.353 117 I HA 0.235 4.405 4.170 -0.000 0.000 0.293 117 I C 1.662 177.900 176.117 0.202 0.000 0.992 117 I CA 0.727 62.116 61.300 0.148 0.000 1.268 117 I CB 0.783 38.875 38.000 0.154 0.000 1.387 117 I HN 0.399 8.609 8.210 -0.000 0.000 0.478 118 G N 4.930 113.811 108.800 0.136 0.000 2.283 118 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.280 118 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.280 118 G C 0.549 175.536 174.900 0.144 0.000 1.029 118 G CA -0.125 45.067 45.100 0.153 0.000 0.840 118 G HN 0.677 8.967 8.290 -0.000 0.000 0.505 119 C N -0.435 118.842 119.300 -0.038 0.000 2.563 119 C HA 0.436 4.896 4.460 -0.000 0.000 0.411 119 C C 2.071 176.998 174.990 -0.105 0.000 1.386 119 C CA 1.472 60.321 59.018 -0.283 0.000 1.703 119 C CB -0.194 27.390 27.740 -0.260 0.000 2.596 119 C HN 2.180 10.410 8.230 -0.000 0.000 0.605 120 G N 3.196 111.932 108.800 -0.107 0.000 2.176 120 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.232 120 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.232 120 G C 0.112 175.070 174.900 0.096 0.000 0.986 120 G CA 0.211 45.320 45.100 0.014 0.000 0.643 120 G HN 0.793 9.083 8.290 -0.000 0.000 0.522 121 S N 0.292 116.106 115.700 0.190 0.000 2.610 121 S HA 0.532 5.002 4.470 -0.000 0.000 0.273 121 S C 0.268 174.990 174.600 0.203 0.000 1.274 121 S CA -0.305 58.009 58.200 0.189 0.000 1.023 121 S CB 1.975 65.298 63.200 0.205 0.000 0.962 121 S HN 0.561 8.871 8.310 -0.000 0.000 0.523 122 K N 1.697 122.165 120.400 0.114 0.000 2.249 122 K HA 0.490 4.810 4.320 -0.000 0.000 0.280 122 K C -0.486 176.135 176.600 0.035 0.000 1.033 122 K CA -0.425 55.907 56.287 0.076 0.000 0.946 122 K CB 0.345 32.866 32.500 0.035 0.000 1.005 122 K HN 0.532 8.782 8.250 -0.000 0.000 0.469 123 V N -0.575 119.330 119.914 -0.015 0.000 3.206 123 V HA 0.663 4.783 4.120 -0.000 0.000 0.305 123 V C -1.017 174.922 176.094 -0.258 0.000 1.257 123 V CA -0.749 61.491 62.300 -0.100 0.000 1.057 123 V CB 1.716 33.458 31.823 -0.135 0.000 1.075 123 V HN 0.817 9.007 8.190 -0.000 0.000 0.443 124 T N 0.657 115.051 114.554 -0.266 0.000 2.901 124 T HA 0.914 5.264 4.350 -0.000 0.000 0.293 124 T C -0.402 174.207 174.700 -0.152 0.000 1.084 124 T CA 0.506 62.347 62.100 -0.431 0.000 1.008 124 T CB 1.780 70.444 68.868 -0.341 0.000 1.170 124 T HN 1.966 10.206 8.240 -0.000 0.000 0.509 125 T N -0.417 114.136 114.554 -0.003 0.000 2.671 125 T HA 0.474 4.824 4.350 -0.000 0.000 0.300 125 T C -0.763 174.010 174.700 0.121 0.000 1.238 125 T CA -0.702 61.457 62.100 0.098 0.000 1.020 125 T CB 0.610 69.596 68.868 0.196 0.000 1.503 125 T HN 0.804 9.044 8.240 -0.000 0.000 0.497 126 H N 1.235 120.322 119.070 0.028 0.000 2.732 126 H HA 0.333 4.889 4.556 -0.000 0.000 0.351 126 H C -1.794 173.573 175.328 0.065 0.000 1.090 126 H CA -0.907 55.153 56.048 0.021 0.000 1.431 126 H CB 1.133 30.887 29.762 -0.014 0.000 1.447 126 H HN 0.289 8.569 8.280 -0.000 0.000 0.582 127 P HA -0.251 4.169 4.420 -0.000 0.000 0.217 127 P C 1.047 178.423 177.300 0.125 0.000 1.158 127 P CA 1.625 64.732 63.100 0.011 0.000 0.887 127 P CB 0.121 31.761 31.700 -0.101 0.000 0.792 128 L N -2.420 119.021 121.223 0.363 0.000 2.622 128 L HA 0.050 4.390 4.340 -0.000 0.000 0.233 128 L C 1.774 178.696 176.870 0.086 0.000 1.156 128 L CA 0.623 55.576 54.840 0.188 0.000 0.866 128 L CB -0.653 41.492 42.059 0.143 0.000 0.980 128 L HN -0.015 8.215 8.230 -0.000 0.000 0.448 129 A N -0.828 122.056 122.820 0.106 0.000 2.469 129 A HA 0.048 4.368 4.320 -0.000 0.000 0.245 129 A C 2.141 179.721 177.584 -0.006 0.000 1.221 129 A CA -0.229 51.831 52.037 0.038 0.000 0.946 129 A CB 0.104 19.136 19.000 0.053 0.000 1.049 129 A HN 0.182 8.332 8.150 -0.000 0.000 0.529 130 K N 0.762 121.121 120.400 -0.069 0.000 2.009 130 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 130 K C 1.032 177.489 176.600 -0.239 0.000 1.049 130 K CA 2.045 58.144 56.287 -0.314 0.000 0.929 130 K CB -0.211 31.907 32.500 -0.638 0.000 0.714 130 K HN 0.298 8.548 8.250 -0.000 0.000 0.440 131 D N 0.634 120.938 120.400 -0.160 0.000 2.133 131 D HA -0.190 4.450 4.640 -0.000 0.000 0.195 131 D C 1.853 178.123 176.300 -0.051 0.000 0.997 131 D CA 1.304 55.243 54.000 -0.101 0.000 0.840 131 D CB -0.086 40.672 40.800 -0.069 0.000 0.947 131 D HN 0.304 8.674 8.370 -0.000 0.000 0.452 132 K N -0.230 120.150 120.400 -0.034 0.000 2.026 132 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 132 K C 2.026 178.640 176.600 0.022 0.000 1.048 132 K CA 1.023 57.306 56.287 -0.006 0.000 0.929 132 K CB -0.124 32.371 32.500 -0.009 0.000 0.713 132 K HN -0.046 8.204 8.250 -0.000 0.000 0.439 133 M N 0.106 119.714 119.600 0.014 0.000 2.279 133 M HA -0.040 4.440 4.480 -0.000 0.000 0.264 133 M C 1.289 177.674 176.300 0.141 0.000 1.062 133 M CA 1.391 56.721 55.300 0.050 0.000 1.099 133 M CB 0.162 32.770 32.600 0.013 0.000 1.394 133 M HN 0.157 8.447 8.290 -0.000 0.000 0.426 134 M N -0.520 119.120 119.600 0.068 0.000 2.495 134 M HA 0.158 4.638 4.480 -0.000 0.000 0.237 134 M C 0.257 176.598 176.300 0.069 0.000 1.131 134 M CA 0.025 55.380 55.300 0.091 0.000 1.032 134 M CB -1.650 30.937 32.600 -0.021 0.000 1.513 134 M HN 0.359 8.649 8.290 -0.000 0.000 0.488 135 N N 1.046 119.785 118.700 0.065 0.000 2.414 135 N HA 0.126 4.866 4.740 -0.000 0.000 0.268 135 N C 1.065 176.610 175.510 0.059 0.000 1.286 135 N CA 0.937 54.014 53.050 0.044 0.000 0.896 135 N CB 0.313 38.828 38.487 0.047 0.000 1.093 135 N HN 0.492 8.872 8.380 -0.000 0.000 0.480 136 G N 2.363 111.142 108.800 -0.034 0.000 2.176 136 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.232 136 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.232 136 G C 0.705 175.356 174.900 -0.415 0.000 0.986 136 G CA 0.050 45.038 45.100 -0.186 0.000 0.643 136 G HN 1.352 9.642 8.290 -0.000 0.000 0.522 137 G N -0.232 108.456 108.800 -0.186 0.000 2.341 137 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.292 137 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.292 137 G C 0.636 175.411 174.900 -0.208 0.000 1.021 137 G CA 1.222 46.235 45.100 -0.144 0.000 0.905 137 G HN 0.966 9.256 8.290 -0.000 0.000 0.508 138 H N -1.781 117.246 119.070 -0.072 0.000 2.547 138 H HA 0.232 4.788 4.556 -0.000 0.000 0.266 138 H C 0.509 175.553 175.328 -0.474 0.000 0.988 138 H CA 0.936 56.813 56.048 -0.286 0.000 1.147 138 H CB 0.326 29.844 29.762 -0.407 0.000 1.365 138 H HN 0.653 8.933 8.280 -0.000 0.000 0.589 139 Y N -0.890 119.486 120.300 0.126 0.000 2.609 139 Y HA 0.294 4.844 4.550 0.000 0.000 0.342 139 Y C 0.195 176.153 175.900 0.095 0.000 1.058 139 Y CA -1.024 57.142 58.100 0.109 0.000 1.055 139 Y CB 1.528 40.063 38.460 0.125 0.000 1.292 139 Y HN -0.311 7.969 8.280 -0.000 0.000 0.476 140 T N 1.448 116.165 114.554 0.271 0.000 2.772 140 T HA 0.225 4.575 4.350 -0.000 0.000 0.288 140 T C -1.166 173.652 174.700 0.197 0.000 0.994 140 T CA -0.479 61.732 62.100 0.185 0.000 0.951 140 T CB -0.103 68.834 68.868 0.116 0.000 0.933 140 T HN 0.358 8.598 8.240 -0.000 0.000 0.447 141 Y N 2.687 123.027 120.300 0.067 0.000 2.397 141 Y HA 0.431 4.981 4.550 0.000 0.000 0.335 141 Y C 0.702 176.615 175.900 0.022 0.000 1.213 141 Y CA 0.283 58.405 58.100 0.036 0.000 1.391 141 Y CB 0.758 39.233 38.460 0.026 0.000 1.293 141 Y HN 0.593 8.873 8.280 -0.000 0.000 0.557 142 S N 2.727 118.041 115.700 -0.644 0.000 2.569 142 S HA 0.416 4.886 4.470 -0.000 0.000 0.280 142 S C -0.442 173.836 174.600 -0.537 0.000 1.111 142 S CA -0.673 57.288 58.200 -0.397 0.000 0.887 142 S CB 1.307 64.359 63.200 -0.247 0.000 1.095 142 S HN 0.782 9.092 8.310 -0.000 0.000 0.476 143 E N 1.197 121.259 120.200 -0.230 0.000 2.538 143 E HA 0.181 4.531 4.350 -0.000 0.000 0.207 143 E C -0.310 176.227 176.600 -0.106 0.000 1.002 143 E CA -0.386 55.925 56.400 -0.149 0.000 0.952 143 E CB 0.246 29.928 29.700 -0.030 0.000 1.031 143 E HN 0.505 8.865 8.360 -0.000 0.000 0.476 144 N N 1.502 120.138 118.700 -0.107 0.000 2.415 144 N HA 0.029 4.769 4.740 -0.000 0.000 0.248 144 N C 1.071 176.543 175.510 -0.063 0.000 1.271 144 N CA 0.257 53.268 53.050 -0.064 0.000 0.913 144 N CB 0.699 39.156 38.487 -0.050 0.000 1.129 144 N HN 0.156 8.536 8.380 -0.000 0.000 0.444 145 R N 0.040 120.522 120.500 -0.031 0.000 2.148 145 R HA 0.038 4.378 4.340 -0.000 0.000 0.227 145 R C -0.017 176.283 176.300 0.000 0.000 1.103 145 R CA 0.810 56.900 56.100 -0.017 0.000 0.983 145 R CB 0.080 30.385 30.300 0.008 0.000 0.874 145 R HN 0.241 8.511 8.270 -0.000 0.000 0.451 146 V N 1.119 121.040 119.914 0.013 0.000 2.623 146 V HA 0.224 4.344 4.120 -0.000 0.000 0.304 146 V C -1.113 174.991 176.094 0.016 0.000 1.054 146 V CA -0.951 61.378 62.300 0.049 0.000 0.882 146 V CB 2.265 34.142 31.823 0.089 0.000 1.002 146 V HN -0.015 8.175 8.190 -0.000 0.000 0.424 147 E N 3.505 123.714 120.200 0.014 0.000 2.210 147 E HA 0.588 4.938 4.350 -0.000 0.000 0.266 147 E C -0.991 175.622 176.600 0.021 0.000 0.883 147 E CA -0.609 55.786 56.400 -0.009 0.000 0.761 147 E CB 1.828 31.491 29.700 -0.062 0.000 1.156 147 E HN 0.613 8.973 8.360 -0.000 0.000 0.412 148 K N 3.613 124.024 120.400 0.018 0.000 2.545 148 K HA 0.315 4.635 4.320 -0.000 0.000 0.252 148 K C -1.564 175.050 176.600 0.023 0.000 0.948 148 K CA -0.619 55.684 56.287 0.027 0.000 0.827 148 K CB 1.019 33.533 32.500 0.023 0.000 1.128 148 K HN 0.394 8.644 8.250 -0.000 0.000 0.429 149 D N 3.878 124.297 120.400 0.032 0.000 2.432 149 D HA 0.321 4.961 4.640 -0.000 0.000 0.265 149 D C 0.640 176.963 176.300 0.039 0.000 1.160 149 D CA 0.865 54.886 54.000 0.036 0.000 0.911 149 D CB 0.898 41.727 40.800 0.048 0.000 1.052 149 D HN 0.871 9.241 8.370 -0.000 0.000 0.508 150 G N 3.008 111.826 108.800 0.030 0.000 2.557 150 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.292 150 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.292 150 G C 0.901 175.818 174.900 0.029 0.000 1.162 150 G CA 0.349 45.466 45.100 0.028 0.000 0.964 150 G HN 0.493 8.783 8.290 -0.000 0.000 0.541 151 L N 1.135 122.379 121.223 0.035 0.000 2.591 151 L HA 0.350 4.690 4.340 -0.000 0.000 0.228 151 L C 0.481 177.378 176.870 0.045 0.000 1.133 151 L CA -0.059 54.802 54.840 0.035 0.000 0.880 151 L CB -0.027 42.053 42.059 0.035 0.000 1.033 151 L HN 0.241 8.471 8.230 -0.000 0.000 0.450 152 I N 1.744 122.345 120.570 0.053 0.000 2.330 152 I HA 0.240 4.410 4.170 -0.000 0.000 0.286 152 I C -0.420 175.733 176.117 0.061 0.000 1.025 152 I CA -0.075 61.263 61.300 0.064 0.000 1.197 152 I CB 1.594 39.641 38.000 0.078 0.000 1.358 152 I HN 0.016 8.226 8.210 -0.000 0.000 0.467 153 L N 7.925 129.195 121.223 0.079 0.000 2.305 153 L HA 0.550 4.890 4.340 -0.000 0.000 0.284 153 L C -0.057 176.938 176.870 0.208 0.000 1.013 153 L CA -0.113 54.795 54.840 0.112 0.000 0.819 153 L CB 1.454 43.558 42.059 0.074 0.000 1.227 153 L HN 0.702 8.932 8.230 -0.000 0.000 0.417 154 T N 0.397 115.041 114.554 0.150 0.000 2.907 154 T HA 0.654 5.004 4.350 -0.000 0.000 0.292 154 T C -0.554 174.170 174.700 0.040 0.000 1.043 154 T CA -0.685 61.463 62.100 0.080 0.000 1.003 154 T CB 2.026 70.871 68.868 -0.038 0.000 1.084 154 T HN 0.465 8.705 8.240 -0.000 0.000 0.483 155 S N -0.766 114.839 115.700 -0.157 0.000 2.661 155 S HA 0.512 4.982 4.470 -0.000 0.000 0.285 155 S C 0.697 175.176 174.600 -0.203 0.000 1.138 155 S CA -0.955 57.141 58.200 -0.173 0.000 0.855 155 S CB 1.699 64.727 63.200 -0.287 0.000 1.136 155 S HN 0.779 9.089 8.310 -0.000 0.000 0.484 156 R N 0.594 121.012 120.500 -0.136 0.000 2.105 156 R HA 0.344 4.684 4.340 -0.000 0.000 0.214 156 R C 1.068 177.335 176.300 -0.056 0.000 1.091 156 R CA 0.610 56.651 56.100 -0.099 0.000 1.007 156 R CB -0.130 30.108 30.300 -0.103 0.000 0.912 156 R HN 0.646 8.916 8.270 -0.000 0.000 0.450 157 G N -0.519 108.245 108.800 -0.060 0.000 2.490 157 G HA2 0.190 4.150 3.960 -0.000 0.000 0.308 157 G HA3 0.190 4.150 3.960 -0.000 0.000 0.308 157 G C -2.520 172.372 174.900 -0.013 0.000 1.286 157 G CA -0.854 44.253 45.100 0.011 0.000 0.825 157 G HN -0.303 7.987 8.290 -0.000 0.000 0.479 158 P HA -0.058 4.362 4.420 -0.000 0.000 0.215 158 P C 1.844 179.162 177.300 0.030 0.000 1.163 158 P CA 2.231 65.335 63.100 0.006 0.000 0.894 158 P CB 0.054 31.768 31.700 0.023 0.000 0.791 159 G N -1.818 107.016 108.800 0.056 0.000 3.094 159 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.208 159 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.208 159 G C 0.732 175.692 174.900 0.100 0.000 1.189 159 G CA 1.001 46.157 45.100 0.093 0.000 0.856 159 G HN 0.394 8.684 8.290 -0.000 0.000 0.510 160 T N -4.994 109.603 114.554 0.072 0.000 3.058 160 T HA 0.196 4.546 4.350 -0.000 0.000 0.278 160 T C 2.056 176.829 174.700 0.122 0.000 0.974 160 T CA 0.624 62.775 62.100 0.084 0.000 0.893 160 T CB 0.347 69.230 68.868 0.024 0.000 1.138 160 T HN -0.019 8.221 8.240 -0.000 0.000 0.529 161 S N 1.460 117.202 115.700 0.071 0.000 2.359 161 S HA 0.009 4.479 4.470 -0.000 0.000 0.224 161 S C 1.298 175.940 174.600 0.069 0.000 1.035 161 S CA 1.368 59.598 58.200 0.050 0.000 1.018 161 S CB -0.583 62.542 63.200 -0.125 0.000 0.876 161 S HN 0.534 8.844 8.310 -0.000 0.000 0.448 162 F N 1.628 121.638 119.950 0.100 0.000 2.102 162 F HA -0.125 4.402 4.527 0.000 0.000 0.298 162 F C 2.517 178.359 175.800 0.071 0.000 1.105 162 F CA 1.328 59.370 58.000 0.070 0.000 1.239 162 F CB -0.379 38.646 39.000 0.043 0.000 0.991 162 F HN 0.217 8.517 8.300 -0.000 0.000 0.474 163 E N -0.557 119.806 120.200 0.270 0.000 2.150 163 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 163 E C 1.884 178.588 176.600 0.174 0.000 0.985 163 E CA 1.145 57.651 56.400 0.176 0.000 0.814 163 E CB -0.363 29.421 29.700 0.140 0.000 0.752 163 E HN 0.372 8.732 8.360 -0.000 0.000 0.466 164 F N 1.637 121.605 119.950 0.031 0.000 2.075 164 F HA -0.158 4.369 4.527 -0.000 0.000 0.297 164 F C 2.190 177.990 175.800 -0.000 0.000 1.113 164 F CA 1.539 59.540 58.000 0.002 0.000 1.218 164 F CB -0.661 38.328 39.000 -0.018 0.000 0.984 164 F HN -0.025 8.275 8.300 -0.000 0.000 0.472 165 A N 0.701 123.474 122.820 -0.078 0.000 1.877 165 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 165 A C 2.360 179.868 177.584 -0.126 0.000 1.186 165 A CA 1.871 53.793 52.037 -0.192 0.000 0.620 165 A CB -1.291 17.670 19.000 -0.065 0.000 0.822 165 A HN 0.511 8.661 8.150 -0.000 0.000 0.443 166 L N -0.898 120.316 121.223 -0.016 0.000 2.141 166 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 166 L C 3.060 179.908 176.870 -0.038 0.000 1.094 166 L CA 0.826 55.666 54.840 -0.001 0.000 0.763 166 L CB -0.480 41.611 42.059 0.052 0.000 0.908 166 L HN 0.464 8.694 8.230 -0.000 0.000 0.437 167 A N 0.547 123.333 122.820 -0.057 0.000 1.877 167 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 167 A C 2.188 179.706 177.584 -0.110 0.000 1.186 167 A CA 1.455 53.455 52.037 -0.063 0.000 0.620 167 A CB -0.609 18.367 19.000 -0.041 0.000 0.822 167 A HN 0.330 8.480 8.150 -0.000 0.000 0.443 168 I N -0.343 120.101 120.570 -0.210 0.000 2.151 168 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 168 I C 2.381 178.430 176.117 -0.114 0.000 1.080 168 I CA 1.431 62.608 61.300 -0.205 0.000 1.339 168 I CB -0.576 37.238 38.000 -0.310 0.000 1.039 168 I HN 0.163 8.373 8.210 -0.000 0.000 0.409 169 V N 0.882 120.739 119.914 -0.095 0.000 2.252 169 V HA -0.353 3.767 4.120 -0.000 0.000 0.249 169 V C 2.552 178.624 176.094 -0.037 0.000 1.056 169 V CA 2.432 64.700 62.300 -0.053 0.000 1.022 169 V CB -0.753 31.049 31.823 -0.034 0.000 0.641 169 V HN 0.532 8.722 8.190 -0.000 0.000 0.445 170 E N 0.262 120.441 120.200 -0.034 0.000 2.058 170 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 170 E C 2.210 178.797 176.600 -0.023 0.000 0.997 170 E CA 1.613 57.999 56.400 -0.022 0.000 0.801 170 E CB -0.313 29.377 29.700 -0.016 0.000 0.746 170 E HN 0.553 8.913 8.360 -0.000 0.000 0.450 171 A N 0.349 123.150 122.820 -0.033 0.000 1.940 171 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 171 A C 2.052 179.622 177.584 -0.022 0.000 1.176 171 A CA 1.331 53.352 52.037 -0.027 0.000 0.631 171 A CB -0.400 18.577 19.000 -0.038 0.000 0.814 171 A HN 0.314 8.464 8.150 -0.000 0.000 0.446 172 L N -1.133 120.073 121.223 -0.028 0.000 2.168 172 L HA 0.090 4.430 4.340 -0.000 0.000 0.203 172 L C 1.593 178.455 176.870 -0.013 0.000 1.078 172 L CA 1.794 56.622 54.840 -0.019 0.000 0.780 172 L CB -0.511 41.534 42.059 -0.023 0.000 0.939 172 L HN 0.457 8.687 8.230 -0.000 0.000 0.451 173 N N -1.434 117.257 118.700 -0.014 0.000 2.171 173 N HA 0.391 5.131 4.740 -0.000 0.000 0.212 173 N C 0.204 175.710 175.510 -0.008 0.000 1.184 173 N CA 0.402 53.446 53.050 -0.009 0.000 0.888 173 N CB 1.138 39.621 38.487 -0.008 0.000 1.038 173 N HN 0.291 8.671 8.380 -0.000 0.000 0.517 174 G N 1.418 110.212 108.800 -0.009 0.000 2.663 174 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.686 174 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.686 174 G C 0.052 174.949 174.900 -0.006 0.000 1.288 174 G CA -0.646 44.450 45.100 -0.007 0.000 0.836 174 G HN 0.061 8.351 8.290 -0.000 0.000 0.584 175 K N 0.458 120.856 120.400 -0.004 0.000 2.063 175 K HA 0.011 4.331 4.320 -0.000 0.000 0.208 175 K C 2.986 179.585 176.600 -0.002 0.000 1.048 175 K CA 2.746 59.032 56.287 -0.003 0.000 0.928 175 K CB -0.280 32.219 32.500 -0.002 0.000 0.713 175 K HN 0.848 9.098 8.250 -0.000 0.000 0.442 176 E N 0.949 121.148 120.200 -0.002 0.000 2.038 176 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 176 E C 2.114 178.714 176.600 -0.000 0.000 1.000 176 E CA 1.917 58.317 56.400 -0.001 0.000 0.803 176 E CB -1.116 28.583 29.700 -0.001 0.000 0.750 176 E HN 0.130 8.490 8.360 -0.000 0.000 0.448 177 V N 1.038 120.951 119.914 -0.001 0.000 2.343 177 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 177 V C 2.966 179.061 176.094 0.002 0.000 1.051 177 V CA 1.817 64.117 62.300 -0.000 0.000 1.036 177 V CB -0.882 30.940 31.823 -0.002 0.000 0.654 177 V HN 0.682 8.872 8.190 -0.000 0.000 0.451 178 A N 0.127 122.947 122.820 0.000 0.000 1.908 178 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 178 A C 2.415 180.003 177.584 0.007 0.000 1.181 178 A CA 2.254 54.293 52.037 0.003 0.000 0.627 178 A CB -0.760 18.240 19.000 -0.000 0.000 0.818 178 A HN 0.583 8.733 8.150 -0.000 0.000 0.445 179 A N -1.478 121.344 122.820 0.004 0.000 1.898 179 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 179 A C 2.128 179.713 177.584 0.002 0.000 1.181 179 A CA 1.585 53.623 52.037 0.003 0.000 0.620 179 A CB -0.410 18.590 19.000 0.000 0.000 0.819 179 A HN 0.465 8.615 8.150 -0.000 0.000 0.442 180 Q N -0.251 119.551 119.800 0.003 0.000 2.079 180 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 180 Q C 2.328 178.332 176.000 0.006 0.000 0.974 180 Q CA 1.554 57.359 55.803 0.003 0.000 0.840 180 Q CB -0.747 27.992 28.738 0.003 0.000 0.898 180 Q HN 0.475 8.745 8.270 -0.000 0.000 0.430 181 V N 1.294 121.214 119.914 0.011 0.000 2.358 181 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 181 V C 2.461 178.569 176.094 0.023 0.000 1.047 181 V CA 1.814 64.126 62.300 0.019 0.000 1.035 181 V CB -0.505 31.332 31.823 0.023 0.000 0.658 181 V HN 0.351 8.541 8.190 -0.000 0.000 0.452 182 K N 0.412 120.823 120.400 0.019 0.000 2.032 182 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 182 K C 2.240 178.834 176.600 -0.010 0.000 1.048 182 K CA 1.694 57.987 56.287 0.011 0.000 0.927 182 K CB -0.427 32.077 32.500 0.007 0.000 0.712 182 K HN 0.394 8.644 8.250 -0.000 0.000 0.441 183 A N 1.647 124.461 122.820 -0.010 0.000 1.884 183 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 183 A C -0.437 177.135 177.584 -0.021 0.000 1.197 183 A CA 1.922 53.949 52.037 -0.017 0.000 0.637 183 A CB -1.817 17.177 19.000 -0.010 0.000 0.827 183 A HN 0.422 8.572 8.150 -0.000 0.000 0.450 184 P HA -0.042 4.378 4.420 -0.000 0.000 0.225 184 P C 1.086 178.376 177.300 -0.018 0.000 1.148 184 P CA 0.581 63.675 63.100 -0.009 0.000 0.779 184 P CB -0.127 31.575 31.700 0.003 0.000 0.780 185 L N -1.559 119.646 121.223 -0.030 0.000 2.376 185 L HA -0.042 4.298 4.340 -0.000 0.000 0.219 185 L C 0.490 177.284 176.870 -0.127 0.000 1.133 185 L CA 0.257 55.058 54.840 -0.066 0.000 0.816 185 L CB -0.675 41.334 42.059 -0.083 0.000 0.933 185 L HN -0.234 7.996 8.230 -0.000 0.000 0.449 186 V N 0.142 119.995 119.914 -0.101 0.000 6.110 186 V HA -0.268 3.852 4.120 -0.000 0.000 0.322 186 V C 0.404 176.404 176.094 -0.156 0.000 0.518 186 V CA 0.444 62.683 62.300 -0.102 0.000 0.655 186 V CB -2.327 29.450 31.823 -0.077 0.000 0.283 186 V HN 0.249 8.439 8.190 -0.000 0.000 0.990 187 L N 0.000 121.117 121.223 -0.177 0.000 2.949 187 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 187 L CA 0.000 54.714 54.840 -0.210 0.000 0.813 187 L CB 0.000 41.923 42.059 -0.227 0.000 0.961 187 L HN 0.000 8.230 8.230 -0.000 0.000 0.502