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 1dgg_1_B DATA FIRST_RESID 5 DATA SEQUENCE RDPASDQMQH WKEQRAAQKA DVLTTGAGNP VGDKLNVITV GPRGPLLVQD DATA SEQUENCE VVFTDEMAHF DRERIPERVV HAKGAGAFGY FEVTHDITKY SKAKVFEHIG DATA SEQUENCE KKTPIAVRFS TVAGESGSAD TVRDPRGFAV KFYTEDGNWD LVGNNTPIFF DATA SEQUENCE IRDPILFPSF IHSQKRNPQT HLKDPDMVWD FWSLRPESLH QVSFLFSDRG DATA SEQUENCE IPDGHRHMNG YGSHTFKLVN ANGEAVYCKF HYKTDQGIKN LSVEDAARLS DATA SEQUENCE QEDPDYGIRD LFNAIATGKY PSWTFYIQVM TFNQAETFPF NPFDLTKVWP DATA SEQUENCE HKDYPLIPVG KLVLNRNPVN YFAEVEQIAF DPSNMPPGIE ASPDKMLQGR DATA SEQUENCE LFAYPDTHRH RLGPNYLHIP VNCPYRARVA NYQRDGPMCM QDNQGGAPNY DATA SEQUENCE YPNSFGAPEQ QPSALEHSIQ YSGEVRRFNT ANDDNVTQVR AFYVNVLNEE DATA SEQUENCE QRKRLCENIA GHLKDAQIFI QKKAVKNFTE VHPDYGSHIQ ALLDKYN 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 5 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 5 R C 0.000 176.335 176.300 0.058 0.000 0.893 5 R CA 0.000 56.123 56.100 0.038 0.000 0.921 5 R CB 0.000 30.312 30.300 0.021 0.000 0.687 6 D N 1.109 121.542 120.400 0.056 0.000 2.360 6 D HA 0.133 4.799 4.640 0.044 0.000 0.242 6 D C -1.728 174.641 176.300 0.116 0.000 1.184 6 D CA -1.329 52.723 54.000 0.086 0.000 0.930 6 D CB 0.478 41.325 40.800 0.077 0.000 1.161 6 D HN 0.067 8.437 8.370 -0.000 0.000 0.447 7 P HA -0.143 4.277 4.420 -0.000 0.000 0.215 7 P C 1.347 178.805 177.300 0.262 0.000 1.153 7 P CA 2.482 65.766 63.100 0.307 0.000 0.853 7 P CB -0.026 31.894 31.700 0.367 0.000 0.788 8 A N -0.673 122.268 122.820 0.202 0.000 1.865 8 A HA -0.222 4.125 4.320 0.044 0.000 0.217 8 A C 2.389 179.905 177.584 -0.114 0.000 1.191 8 A CA 2.426 54.402 52.037 -0.102 0.000 0.623 8 A CB -1.627 17.294 19.000 -0.131 0.000 0.826 8 A HN 0.119 8.269 8.150 -0.000 0.000 0.444 9 S N 0.193 115.861 115.700 -0.053 0.000 2.370 9 S HA -0.137 4.360 4.470 0.044 0.000 0.226 9 S C 1.139 175.679 174.600 -0.100 0.000 1.033 9 S CA 1.432 59.593 58.200 -0.066 0.000 1.011 9 S CB -0.410 62.770 63.200 -0.033 0.000 0.852 9 S HN 0.604 8.914 8.310 -0.000 0.000 0.457 10 D N 1.150 121.460 120.400 -0.150 0.000 2.324 10 D HA 0.012 4.679 4.640 0.044 0.000 0.235 10 D C 1.738 177.823 176.300 -0.358 0.000 1.095 10 D CA 0.029 53.824 54.000 -0.341 0.000 0.871 10 D CB -0.207 40.197 40.800 -0.661 0.000 0.906 10 D HN 0.292 8.662 8.370 -0.000 0.000 0.522 11 Q N 0.609 120.331 119.800 -0.130 0.000 2.029 11 Q HA -0.202 4.165 4.340 0.044 0.000 0.209 11 Q C 1.906 177.945 176.000 0.066 0.000 0.999 11 Q CA 1.375 57.183 55.803 0.009 0.000 0.857 11 Q CB -0.115 28.601 28.738 -0.037 0.000 0.926 11 Q HN 0.358 8.628 8.270 -0.000 0.000 0.415 12 M N -0.103 119.504 119.600 0.011 0.000 2.132 12 M HA -0.184 4.322 4.480 0.044 0.000 0.263 12 M C 2.250 178.636 176.300 0.144 0.000 1.065 12 M CA 1.276 56.615 55.300 0.064 0.000 1.122 12 M CB -0.352 32.241 32.600 -0.012 0.000 1.365 12 M HN 0.144 8.434 8.290 -0.000 0.000 0.411 13 Q N 0.216 120.041 119.800 0.042 0.000 2.061 13 Q HA -0.195 4.171 4.340 0.044 0.000 0.204 13 Q C 1.734 177.848 176.000 0.190 0.000 0.984 13 Q CA 1.962 57.807 55.803 0.069 0.000 0.846 13 Q CB -0.669 28.052 28.738 -0.028 0.000 0.902 13 Q HN 0.683 8.953 8.270 -0.000 0.000 0.421 14 H N -2.317 116.844 119.070 0.151 0.000 2.387 14 H HA -0.166 4.416 4.556 0.044 0.000 0.299 14 H C 1.714 177.141 175.328 0.166 0.000 1.090 14 H CA 0.853 56.985 56.048 0.140 0.000 1.332 14 H CB -0.156 29.693 29.762 0.145 0.000 1.386 14 H HN 0.346 8.626 8.280 -0.000 0.000 0.516 15 W N 2.547 123.942 121.300 0.158 0.000 2.358 15 W HA -0.162 4.524 4.660 0.044 0.000 0.303 15 W C 2.520 179.083 176.519 0.073 0.000 1.208 15 W CA 1.483 58.888 57.345 0.101 0.000 1.274 15 W CB 0.087 29.591 29.460 0.074 0.000 1.138 15 W HN -0.032 8.148 8.180 -0.000 0.000 0.515 16 K N 0.504 121.140 120.400 0.393 0.000 2.026 16 K HA -0.239 4.108 4.320 0.044 0.000 0.208 16 K C 1.816 178.440 176.600 0.041 0.000 1.048 16 K CA 2.126 58.558 56.287 0.241 0.000 0.929 16 K CB -0.380 32.264 32.500 0.240 0.000 0.713 16 K HN 0.181 8.431 8.250 -0.000 0.000 0.439 17 E N 0.367 120.609 120.200 0.071 0.000 2.110 17 E HA -0.223 4.153 4.350 0.044 0.000 0.193 17 E C 2.082 178.654 176.600 -0.047 0.000 0.988 17 E CA 1.278 57.694 56.400 0.028 0.000 0.804 17 E CB 0.019 29.763 29.700 0.074 0.000 0.745 17 E HN 0.391 8.751 8.360 -0.000 0.000 0.458 18 Q N -0.051 119.689 119.800 -0.100 0.000 2.437 18 Q HA -0.034 4.333 4.340 0.044 0.000 0.210 18 Q C 1.653 177.508 176.000 -0.241 0.000 0.972 18 Q CA 0.544 56.246 55.803 -0.169 0.000 0.903 18 Q CB 0.288 28.907 28.738 -0.199 0.000 0.967 18 Q HN 0.011 8.281 8.270 -0.000 0.000 0.486 19 R N -0.395 119.934 120.500 -0.286 0.000 2.276 19 R HA 0.196 4.563 4.340 0.044 0.000 0.196 19 R C 1.123 177.343 176.300 -0.134 0.000 0.961 19 R CA 0.685 56.622 56.100 -0.272 0.000 1.024 19 R CB -0.434 29.671 30.300 -0.325 0.000 0.940 19 R HN 0.221 8.491 8.270 -0.000 0.000 0.480 20 A N 1.184 123.948 122.820 -0.094 0.000 5.328 20 A HA -0.332 4.014 4.320 0.044 0.000 0.346 20 A C 0.827 178.391 177.584 -0.035 0.000 1.675 20 A CA 1.752 53.759 52.037 -0.051 0.000 0.717 20 A CB -1.674 17.296 19.000 -0.051 0.000 1.467 20 A HN 0.448 8.598 8.150 -0.000 0.000 0.409 21 A N 0.846 123.649 122.820 -0.030 0.000 3.126 21 A HA 0.536 4.882 4.320 0.044 0.000 0.268 21 A C 0.276 177.847 177.584 -0.021 0.000 1.605 21 A CA 0.835 52.861 52.037 -0.019 0.000 1.305 21 A CB -0.953 18.038 19.000 -0.014 0.000 1.160 21 A HN 1.201 9.351 8.150 -0.000 0.000 0.609 22 Q N 0.005 119.791 119.800 -0.024 0.000 2.284 22 Q HA 0.495 4.862 4.340 0.044 0.000 0.269 22 Q C -0.784 175.212 176.000 -0.007 0.000 1.026 22 Q CA -1.028 54.763 55.803 -0.021 0.000 0.831 22 Q CB 1.329 30.044 28.738 -0.037 0.000 1.322 22 Q HN 0.244 8.514 8.270 -0.000 0.000 0.419 23 K N 1.543 121.944 120.400 0.002 0.000 2.485 23 K HA 0.301 4.647 4.320 0.044 0.000 0.277 23 K C -0.348 176.266 176.600 0.025 0.000 0.990 23 K CA 0.550 56.845 56.287 0.015 0.000 0.994 23 K CB 0.575 33.082 32.500 0.012 0.000 0.906 23 K HN 0.707 8.957 8.250 -0.000 0.000 0.488 24 A N 3.965 126.812 122.820 0.044 0.000 2.425 24 A HA 0.086 4.432 4.320 0.044 0.000 0.242 24 A C -0.347 177.270 177.584 0.056 0.000 1.077 24 A CA -0.358 51.720 52.037 0.070 0.000 0.781 24 A CB 0.105 19.157 19.000 0.087 0.000 1.020 24 A HN 0.889 9.039 8.150 -0.000 0.000 0.494 25 D N 0.064 120.506 120.400 0.070 0.000 2.362 25 D HA 0.223 4.889 4.640 0.044 0.000 0.238 25 D C 0.150 176.475 176.300 0.041 0.000 1.212 25 D CA 0.182 54.213 54.000 0.052 0.000 0.902 25 D CB 0.719 41.557 40.800 0.063 0.000 1.180 25 D HN 0.191 8.561 8.370 -0.000 0.000 0.445 26 V N 1.931 121.862 119.914 0.028 0.000 2.555 26 V HA -0.016 4.130 4.120 0.044 0.000 0.286 26 V C 0.439 176.544 176.094 0.018 0.000 1.044 26 V CA -0.545 61.768 62.300 0.021 0.000 1.026 26 V CB 1.133 32.964 31.823 0.014 0.000 0.981 26 V HN 0.283 8.473 8.190 -0.000 0.000 0.480 27 L N 6.925 128.157 121.223 0.014 0.000 2.361 27 L HA 0.518 4.885 4.340 0.044 0.000 0.278 27 L C 0.450 177.322 176.870 0.003 0.000 1.113 27 L CA 0.842 55.686 54.840 0.007 0.000 0.849 27 L CB 0.672 42.734 42.059 0.005 0.000 1.155 27 L HN 0.971 9.201 8.230 -0.000 0.000 0.452 28 T N 0.627 115.180 114.554 -0.003 0.000 2.888 28 T HA 0.737 5.114 4.350 0.044 0.000 0.288 28 T C 0.279 174.971 174.700 -0.012 0.000 1.063 28 T CA -0.110 61.987 62.100 -0.004 0.000 1.010 28 T CB 1.124 69.990 68.868 -0.003 0.000 1.214 28 T HN 0.729 8.969 8.240 -0.000 0.000 0.533 29 T N -1.677 112.871 114.554 -0.009 0.000 2.771 29 T HA 0.474 4.850 4.350 0.044 0.000 0.290 29 T C 1.806 176.492 174.700 -0.023 0.000 1.005 29 T CA -0.109 61.982 62.100 -0.014 0.000 0.944 29 T CB -0.081 68.785 68.868 -0.003 0.000 1.147 29 T HN 0.949 9.189 8.240 -0.000 0.000 0.534 30 G N -0.358 108.426 108.800 -0.028 0.000 2.432 30 G HA2 0.084 4.070 3.960 0.044 0.000 0.219 30 G HA3 0.084 4.070 3.960 0.044 0.000 0.219 30 G C 1.424 176.315 174.900 -0.015 0.000 1.135 30 G CA 0.421 45.502 45.100 -0.033 0.000 0.767 30 G HN 1.070 9.360 8.290 -0.000 0.000 0.550 31 A N -0.193 122.624 122.820 -0.005 0.000 2.276 31 A HA 0.483 4.830 4.320 0.044 0.000 0.212 31 A C 1.945 179.528 177.584 -0.001 0.000 1.230 31 A CA 1.138 53.175 52.037 -0.000 0.000 0.844 31 A CB -0.594 18.408 19.000 0.005 0.000 0.860 31 A HN 1.538 9.688 8.150 -0.000 0.000 0.486 32 G N -0.384 108.413 108.800 -0.005 0.000 2.148 32 G HA2 -0.281 3.705 3.960 0.044 0.000 0.254 32 G HA3 -0.281 3.705 3.960 0.044 0.000 0.254 32 G C -0.115 174.785 174.900 0.000 0.000 0.981 32 G CA 0.208 45.306 45.100 -0.003 0.000 0.670 32 G HN 0.682 8.972 8.290 -0.000 0.000 0.528 33 N N 1.899 120.600 118.700 0.001 0.000 2.430 33 N HA 0.470 5.236 4.740 0.044 0.000 0.265 33 N C -2.622 172.891 175.510 0.004 0.000 1.100 33 N CA -1.461 51.591 53.050 0.004 0.000 0.961 33 N CB 1.088 39.579 38.487 0.006 0.000 1.075 33 N HN 0.079 8.459 8.380 -0.000 0.000 0.478 34 P HA -0.055 4.365 4.420 -0.000 0.000 0.264 34 P C -0.742 176.563 177.300 0.008 0.000 1.183 34 P CA 0.102 63.206 63.100 0.006 0.000 0.763 34 P CB 0.641 32.345 31.700 0.006 0.000 0.807 35 V N 3.591 123.510 119.914 0.008 0.000 2.394 35 V HA 0.339 4.486 4.120 0.044 0.000 0.282 35 V C 1.531 177.631 176.094 0.010 0.000 1.031 35 V CA 0.342 62.648 62.300 0.010 0.000 0.881 35 V CB 1.090 32.919 31.823 0.010 0.000 0.982 35 V HN 0.785 8.975 8.190 -0.000 0.000 0.451 36 G N 2.668 111.475 108.800 0.011 0.000 2.494 36 G HA2 0.017 4.003 3.960 0.044 0.000 0.216 36 G HA3 0.017 4.003 3.960 0.044 0.000 0.216 36 G C 0.198 175.103 174.900 0.008 0.000 1.140 36 G CA 0.539 45.644 45.100 0.009 0.000 0.801 36 G HN 0.665 8.955 8.290 -0.000 0.000 0.536 37 D N -1.249 119.157 120.400 0.010 0.000 2.419 37 D HA 0.141 4.808 4.640 0.044 0.000 0.219 37 D C -0.347 175.962 176.300 0.015 0.000 1.349 37 D CA -0.523 53.483 54.000 0.009 0.000 0.964 37 D CB 0.939 41.743 40.800 0.006 0.000 1.463 37 D HN -0.049 8.321 8.370 -0.000 0.000 0.573 38 K N 3.816 124.224 120.400 0.014 0.000 2.576 38 K HA 0.283 4.630 4.320 0.044 0.000 0.209 38 K C 0.560 177.171 176.600 0.018 0.000 1.049 38 K CA -0.105 56.195 56.287 0.022 0.000 1.140 38 K CB 0.340 32.848 32.500 0.013 0.000 0.871 38 K HN 0.472 8.722 8.250 -0.000 0.000 0.479 39 L N -0.387 120.842 121.223 0.010 0.000 2.817 39 L HA 0.235 4.601 4.340 0.044 0.000 0.248 39 L C -0.579 176.288 176.870 -0.005 0.000 1.133 39 L CA 0.020 54.861 54.840 0.002 0.000 0.935 39 L CB 0.420 42.476 42.059 -0.004 0.000 1.266 39 L HN 0.063 8.293 8.230 -0.000 0.000 0.535 40 N N -0.795 117.902 118.700 -0.005 0.000 2.277 40 N HA 0.436 5.202 4.740 0.044 0.000 0.286 40 N C -0.769 174.723 175.510 -0.030 0.000 1.140 40 N CA -0.550 52.486 53.050 -0.024 0.000 0.799 40 N CB 2.976 41.449 38.487 -0.024 0.000 1.596 40 N HN -0.143 8.237 8.380 -0.000 0.000 0.473 41 V N -1.039 118.831 119.914 -0.075 0.000 3.109 41 V HA 0.603 4.749 4.120 0.044 0.000 0.317 41 V C 0.130 176.174 176.094 -0.084 0.000 1.074 41 V CA -0.827 61.408 62.300 -0.108 0.000 1.033 41 V CB 0.801 32.460 31.823 -0.274 0.000 1.111 41 V HN 0.538 8.728 8.190 -0.000 0.000 0.458 42 I N 2.922 123.449 120.570 -0.073 0.000 2.352 42 I HA 0.470 4.667 4.170 0.044 0.000 0.290 42 I C 0.471 176.549 176.117 -0.064 0.000 1.036 42 I CA 0.235 61.506 61.300 -0.050 0.000 1.336 42 I CB 1.096 39.082 38.000 -0.024 0.000 1.407 42 I HN 1.013 9.223 8.210 -0.000 0.000 0.497 43 T N 2.417 116.940 114.554 -0.053 0.000 2.906 43 T HA 0.391 4.768 4.350 0.044 0.000 0.295 43 T C -0.560 174.119 174.700 -0.034 0.000 1.075 43 T CA -0.801 61.268 62.100 -0.051 0.000 1.005 43 T CB 2.084 70.917 68.868 -0.058 0.000 1.136 43 T HN 0.239 8.479 8.240 -0.000 0.000 0.498 44 V N 2.456 122.352 119.914 -0.029 0.000 2.338 44 V HA 0.614 4.761 4.120 0.044 0.000 0.255 44 V C 0.655 176.736 176.094 -0.021 0.000 1.082 44 V CA 1.364 63.651 62.300 -0.021 0.000 0.951 44 V CB -0.696 31.117 31.823 -0.017 0.000 1.102 44 V HN 1.766 9.956 8.190 -0.000 0.000 0.489 45 G N 7.237 116.025 108.800 -0.020 0.000 2.705 45 G HA2 -0.106 3.880 3.960 0.044 0.000 0.686 45 G HA3 -0.106 3.880 3.960 0.044 0.000 0.686 45 G C -1.539 173.347 174.900 -0.023 0.000 1.285 45 G CA -0.245 44.844 45.100 -0.018 0.000 0.800 45 G HN 0.563 8.853 8.290 -0.000 0.000 0.611 46 P HA -0.133 4.287 4.420 -0.000 0.000 0.218 46 P C 1.016 178.299 177.300 -0.027 0.000 1.146 46 P CA 1.318 64.404 63.100 -0.023 0.000 0.813 46 P CB 0.114 31.803 31.700 -0.019 0.000 0.778 47 R N -0.378 120.108 120.500 -0.025 0.000 2.662 47 R HA 0.363 4.729 4.340 0.044 0.000 0.396 47 R C 1.022 177.306 176.300 -0.027 0.000 1.096 47 R CA -0.285 55.800 56.100 -0.026 0.000 1.081 47 R CB 0.923 31.211 30.300 -0.021 0.000 1.382 47 R HN 0.137 8.407 8.270 -0.000 0.000 0.580 48 G N 1.394 110.176 108.800 -0.029 0.000 2.557 48 G HA2 0.460 4.447 3.960 0.044 0.000 0.302 48 G HA3 0.460 4.447 3.960 0.044 0.000 0.302 48 G C -2.530 172.348 174.900 -0.037 0.000 1.311 48 G CA -1.155 43.928 45.100 -0.029 0.000 1.030 48 G HN -0.115 8.175 8.290 -0.000 0.000 0.509 49 P HA 0.303 4.723 4.420 -0.000 0.000 0.276 49 P C -0.521 176.746 177.300 -0.055 0.000 1.261 49 P CA -0.673 62.402 63.100 -0.042 0.000 0.800 49 P CB 0.767 32.450 31.700 -0.030 0.000 1.066 50 L N 1.434 122.614 121.223 -0.071 0.000 2.349 50 L HA 0.302 4.668 4.340 0.044 0.000 0.275 50 L C -1.022 175.815 176.870 -0.056 0.000 1.115 50 L CA 0.007 54.790 54.840 -0.095 0.000 0.820 50 L CB -0.227 41.738 42.059 -0.158 0.000 1.135 50 L HN 0.092 8.322 8.230 -0.000 0.000 0.445 51 L N 4.963 126.159 121.223 -0.045 0.000 2.343 51 L HA 0.333 4.699 4.340 0.044 0.000 0.275 51 L C 1.101 177.978 176.870 0.012 0.000 1.056 51 L CA -0.118 54.714 54.840 -0.013 0.000 0.804 51 L CB 1.599 43.652 42.059 -0.009 0.000 1.203 51 L HN 0.497 8.727 8.230 -0.000 0.000 0.440 52 V N 1.188 121.117 119.914 0.025 0.000 2.626 52 V HA -0.214 3.932 4.120 0.044 0.000 0.252 52 V C 2.043 178.167 176.094 0.051 0.000 1.067 52 V CA 1.641 63.969 62.300 0.047 0.000 1.081 52 V CB -0.819 31.026 31.823 0.038 0.000 0.686 52 V HN 1.028 9.218 8.190 -0.000 0.000 0.468 53 Q N 0.085 119.906 119.800 0.034 0.000 2.515 53 Q HA -0.102 4.264 4.340 0.044 0.000 0.212 53 Q C 0.591 176.617 176.000 0.043 0.000 0.970 53 Q CA 0.787 56.611 55.803 0.033 0.000 0.941 53 Q CB -0.299 28.452 28.738 0.021 0.000 0.998 53 Q HN 0.484 8.754 8.270 -0.000 0.000 0.518 54 D N 1.111 121.546 120.400 0.059 0.000 2.558 54 D HA 0.075 4.742 4.640 0.044 0.000 0.221 54 D C 0.623 177.002 176.300 0.132 0.000 1.143 54 D CA -0.269 53.781 54.000 0.083 0.000 1.010 54 D CB 0.858 41.701 40.800 0.071 0.000 1.068 54 D HN 0.015 8.385 8.370 -0.000 0.000 0.511 55 V N 2.479 122.445 119.914 0.088 0.000 2.667 55 V HA -0.183 3.963 4.120 0.044 0.000 0.252 55 V C 2.501 178.636 176.094 0.069 0.000 1.065 55 V CA 0.791 63.135 62.300 0.073 0.000 1.083 55 V CB -0.042 31.808 31.823 0.045 0.000 0.692 55 V HN 0.391 8.581 8.190 -0.000 0.000 0.468 56 V N -0.225 119.736 119.914 0.079 0.000 2.332 56 V HA -0.290 3.857 4.120 0.044 0.000 0.248 56 V C 2.147 178.292 176.094 0.084 0.000 1.055 56 V CA 2.549 64.888 62.300 0.066 0.000 1.038 56 V CB -0.770 31.093 31.823 0.067 0.000 0.651 56 V HN 0.595 8.785 8.190 -0.000 0.000 0.450 57 F N 1.554 121.504 119.950 -0.000 0.000 2.084 57 F HA -0.185 4.368 4.527 0.044 0.000 0.296 57 F C 2.487 178.294 175.800 0.012 0.000 1.111 57 F CA 2.357 60.356 58.000 -0.002 0.000 1.224 57 F CB -0.819 38.178 39.000 -0.006 0.000 0.991 57 F HN 0.116 8.416 8.300 -0.000 0.000 0.471 58 T N -0.190 114.302 114.554 -0.104 0.000 2.684 58 T HA -0.269 4.107 4.350 0.044 0.000 0.267 58 T C 1.502 176.103 174.700 -0.163 0.000 1.036 58 T CA 1.839 63.831 62.100 -0.179 0.000 1.148 58 T CB -0.695 68.186 68.868 0.023 0.000 0.863 58 T HN 0.428 8.668 8.240 -0.000 0.000 0.436 59 D N 0.763 121.120 120.400 -0.073 0.000 2.116 59 D HA -0.170 4.496 4.640 0.044 0.000 0.193 59 D C 2.170 178.443 176.300 -0.045 0.000 0.998 59 D CA 1.643 55.621 54.000 -0.036 0.000 0.836 59 D CB -0.107 40.685 40.800 -0.012 0.000 0.951 59 D HN 0.579 8.949 8.370 -0.000 0.000 0.449 60 E N -1.212 118.931 120.200 -0.095 0.000 2.046 60 E HA -0.192 4.185 4.350 0.044 0.000 0.190 60 E C 2.019 178.566 176.600 -0.089 0.000 0.982 60 E CA 0.745 57.098 56.400 -0.079 0.000 0.800 60 E CB -0.160 29.484 29.700 -0.094 0.000 0.756 60 E HN 0.228 8.588 8.360 -0.000 0.000 0.449 61 M N 1.042 120.457 119.600 -0.308 0.000 2.117 61 M HA -0.075 4.431 4.480 0.044 0.000 0.262 61 M C 2.036 178.303 176.300 -0.055 0.000 1.065 61 M CA 1.937 57.067 55.300 -0.283 0.000 1.114 61 M CB -0.484 31.661 32.600 -0.759 0.000 1.361 61 M HN 0.200 8.490 8.290 -0.000 0.000 0.408 62 A N -1.586 121.179 122.820 -0.092 0.000 1.908 62 A HA -0.247 4.100 4.320 0.044 0.000 0.218 62 A C 2.127 179.703 177.584 -0.013 0.000 1.181 62 A CA 2.242 54.256 52.037 -0.038 0.000 0.627 62 A CB -1.259 17.720 19.000 -0.036 0.000 0.818 62 A HN 0.761 8.911 8.150 -0.000 0.000 0.445 63 H N -2.074 116.975 119.070 -0.035 0.000 2.357 63 H HA -0.102 4.480 4.556 0.044 0.000 0.301 63 H C 1.686 176.997 175.328 -0.027 0.000 1.082 63 H CA 1.919 57.947 56.048 -0.033 0.000 1.342 63 H CB -0.285 29.460 29.762 -0.028 0.000 1.389 63 H HN 0.475 8.755 8.280 -0.000 0.000 0.511 64 F N 1.435 121.391 119.950 0.009 0.000 2.126 64 F HA -0.207 4.346 4.527 0.044 0.000 0.299 64 F C 1.569 177.314 175.800 -0.091 0.000 1.096 64 F CA 1.750 59.728 58.000 -0.036 0.000 1.255 64 F CB -0.301 38.668 39.000 -0.053 0.000 0.997 64 F HN 0.187 8.488 8.300 -0.000 0.000 0.479 65 D N 0.141 120.457 120.400 -0.141 0.000 2.350 65 D HA -0.082 4.584 4.640 0.044 0.000 0.216 65 D C 1.577 177.716 176.300 -0.269 0.000 0.968 65 D CA 0.898 54.766 54.000 -0.219 0.000 0.894 65 D CB -0.212 40.552 40.800 -0.059 0.000 0.909 65 D HN 0.434 8.804 8.370 -0.000 0.000 0.520 66 R N -0.126 120.187 120.500 -0.311 0.000 2.565 66 R HA 0.185 4.551 4.340 0.044 0.000 0.347 66 R C 1.225 177.310 176.300 -0.358 0.000 1.010 66 R CA -0.121 55.794 56.100 -0.308 0.000 1.126 66 R CB 0.629 30.747 30.300 -0.303 0.000 1.331 66 R HN 0.123 8.393 8.270 -0.000 0.000 0.552 67 E N 0.893 120.857 120.200 -0.395 0.000 2.153 67 E HA -0.086 4.290 4.350 0.044 0.000 0.194 67 E C 0.255 176.680 176.600 -0.291 0.000 0.988 67 E CA 0.915 57.093 56.400 -0.370 0.000 0.811 67 E CB 0.233 29.718 29.700 -0.359 0.000 0.746 67 E HN 0.084 8.444 8.360 -0.000 0.000 0.466 68 R N 1.284 121.660 120.500 -0.207 0.000 2.410 68 R HA 0.344 4.710 4.340 0.044 0.000 0.288 68 R C 0.471 176.762 176.300 -0.015 0.000 1.051 68 R CA -0.181 55.870 56.100 -0.082 0.000 1.021 68 R CB 0.555 30.805 30.300 -0.084 0.000 1.032 68 R HN 0.178 8.448 8.270 -0.000 0.000 0.481 69 I N -1.025 119.593 120.570 0.080 0.000 2.846 69 I HA 0.589 4.786 4.170 0.044 0.000 0.307 69 I C -2.285 173.852 176.117 0.034 0.000 1.053 69 I CA -3.002 58.331 61.300 0.056 0.000 1.050 69 I CB 1.925 39.994 38.000 0.114 0.000 1.239 69 I HN 0.238 8.448 8.210 -0.000 0.000 0.439 70 P HA 0.095 4.515 4.420 -0.000 0.000 0.265 70 P C -0.902 176.417 177.300 0.032 0.000 1.193 70 P CA -0.034 63.066 63.100 0.001 0.000 0.765 70 P CB 0.431 32.107 31.700 -0.041 0.000 0.823 71 E N 2.610 122.843 120.200 0.054 0.000 2.369 71 E HA 0.208 4.584 4.350 0.044 0.000 0.255 71 E C -0.440 176.201 176.600 0.068 0.000 1.172 71 E CA -0.882 55.560 56.400 0.069 0.000 0.932 71 E CB 0.581 30.326 29.700 0.076 0.000 1.040 71 E HN 0.256 8.616 8.360 -0.000 0.000 0.454 72 R N 0.537 121.085 120.500 0.081 0.000 2.585 72 R HA -0.033 4.333 4.340 0.044 0.000 0.275 72 R C 1.043 177.389 176.300 0.077 0.000 1.018 72 R CA 0.047 56.198 56.100 0.085 0.000 1.072 72 R CB 0.646 31.017 30.300 0.119 0.000 0.953 72 R HN 0.540 8.810 8.270 -0.000 0.000 0.419 73 V N 3.834 123.783 119.914 0.059 0.000 2.568 73 V HA -0.125 4.021 4.120 0.044 0.000 0.253 73 V C 0.512 176.638 176.094 0.053 0.000 1.072 73 V CA 1.754 64.083 62.300 0.047 0.000 1.084 73 V CB 0.116 31.957 31.823 0.030 0.000 0.676 73 V HN 0.540 8.730 8.190 -0.000 0.000 0.469 74 V N -4.574 115.404 119.914 0.107 0.000 3.114 74 V HA 0.575 4.721 4.120 0.044 0.000 0.308 74 V C 0.211 176.468 176.094 0.272 0.000 1.168 74 V CA -0.628 61.763 62.300 0.151 0.000 1.015 74 V CB 1.468 33.443 31.823 0.253 0.000 1.050 74 V HN 0.413 8.603 8.190 -0.000 0.000 0.433 75 H N 0.345 119.470 119.070 0.093 0.000 2.899 75 H HA -0.229 4.353 4.556 0.043 0.000 0.282 75 H C 1.573 176.959 175.328 0.096 0.000 1.198 75 H CA 0.843 56.955 56.048 0.106 0.000 1.140 75 H CB -1.112 28.721 29.762 0.119 0.000 1.317 75 H HN 1.224 9.504 8.280 -0.000 0.000 0.375 76 A N 0.518 123.431 122.820 0.154 0.000 1.972 76 A HA -0.116 4.230 4.320 0.044 0.000 0.219 76 A C 1.559 179.229 177.584 0.145 0.000 1.169 76 A CA 1.523 53.639 52.037 0.132 0.000 0.635 76 A CB 0.002 19.055 19.000 0.089 0.000 0.810 76 A HN 0.195 8.345 8.150 -0.000 0.000 0.446 77 K N 0.274 120.754 120.400 0.134 0.000 2.262 77 K HA 0.522 4.868 4.320 0.044 0.000 0.282 77 K C -0.003 176.712 176.600 0.191 0.000 1.066 77 K CA 0.654 57.030 56.287 0.149 0.000 0.901 77 K CB 0.459 33.026 32.500 0.112 0.000 1.089 77 K HN 0.353 8.603 8.250 -0.000 0.000 0.476 78 G N 1.140 110.082 108.800 0.237 0.000 2.606 78 G HA2 0.742 4.728 3.960 0.044 0.000 0.300 78 G HA3 0.742 4.728 3.960 0.044 0.000 0.300 78 G C -1.766 173.333 174.900 0.332 0.000 1.360 78 G CA -0.336 44.911 45.100 0.245 0.000 0.783 78 G HN 0.702 8.992 8.290 -0.000 0.000 0.484 79 A N -1.564 121.408 122.820 0.254 0.000 2.515 79 A HA 0.994 5.341 4.320 0.044 0.000 0.296 79 A C -0.073 177.597 177.584 0.145 0.000 1.094 79 A CA 0.020 52.250 52.037 0.323 0.000 0.718 79 A CB 1.833 21.063 19.000 0.384 0.000 1.307 79 A HN 2.094 10.244 8.150 -0.000 0.000 0.408 80 G N -1.044 107.827 108.800 0.118 0.000 2.605 80 G HA2 0.916 4.902 3.960 0.044 0.000 0.296 80 G HA3 0.916 4.902 3.960 0.044 0.000 0.296 80 G C -0.669 174.186 174.900 -0.076 0.000 1.304 80 G CA -0.021 45.021 45.100 -0.096 0.000 0.941 80 G HN 2.019 10.309 8.290 -0.000 0.000 0.475 81 A N -0.554 122.044 122.820 -0.370 0.000 2.599 81 A HA 0.873 5.219 4.320 0.044 0.000 0.290 81 A C -1.973 175.166 177.584 -0.742 0.000 1.101 81 A CA -0.703 51.169 52.037 -0.274 0.000 0.674 81 A CB 1.065 20.077 19.000 0.019 0.000 1.277 81 A HN 0.749 8.899 8.150 -0.000 0.000 0.419 82 F N -0.734 119.229 119.950 0.022 0.000 2.603 82 F HA 0.845 5.399 4.527 0.045 0.000 0.317 82 F C 0.917 176.719 175.800 0.003 0.000 1.066 82 F CA 0.509 58.517 58.000 0.013 0.000 0.941 82 F CB 2.642 41.654 39.000 0.019 0.000 1.291 82 F HN 1.171 9.471 8.300 -0.000 0.000 0.472 83 G N 0.269 109.188 108.800 0.198 0.000 2.637 83 G HA2 0.450 4.437 3.960 0.044 0.000 0.112 83 G HA3 0.450 4.437 3.960 0.044 0.000 0.112 83 G C -2.063 172.983 174.900 0.243 0.000 1.181 83 G CA -0.214 44.972 45.100 0.144 0.000 1.150 83 G HN 0.856 9.146 8.290 -0.000 0.000 0.561 84 Y N -1.646 118.694 120.300 0.068 0.000 2.670 84 Y HA 0.819 5.395 4.550 0.044 0.000 0.334 84 Y C -1.823 174.155 175.900 0.130 0.000 1.185 84 Y CA -2.039 56.115 58.100 0.091 0.000 1.053 84 Y CB 1.661 40.161 38.460 0.066 0.000 1.298 84 Y HN 0.804 9.084 8.280 -0.000 0.000 0.459 85 F N 1.890 121.959 119.950 0.199 0.000 2.482 85 F HA 0.630 5.183 4.527 0.043 0.000 0.331 85 F C -0.881 175.072 175.800 0.255 0.000 1.115 85 F CA -0.660 57.414 58.000 0.123 0.000 0.955 85 F CB 1.799 40.895 39.000 0.160 0.000 1.136 85 F HN 0.772 9.072 8.300 -0.000 0.000 0.452 86 E N 5.120 124.924 120.200 -0.661 0.000 2.210 86 E HA 0.522 4.898 4.350 0.044 0.000 0.266 86 E C -1.627 174.523 176.600 -0.750 0.000 0.883 86 E CA -0.951 55.185 56.400 -0.439 0.000 0.761 86 E CB 1.965 31.661 29.700 -0.007 0.000 1.156 86 E HN 0.549 8.909 8.360 -0.000 0.000 0.412 87 V N 4.254 123.917 119.914 -0.418 0.000 2.455 87 V HA 0.084 4.230 4.120 0.044 0.000 0.273 87 V C 1.233 177.294 176.094 -0.055 0.000 1.045 87 V CA 0.436 62.637 62.300 -0.166 0.000 0.976 87 V CB 0.832 32.674 31.823 0.032 0.000 0.993 87 V HN 0.955 9.145 8.190 -0.000 0.000 0.475 88 T N 0.562 115.137 114.554 0.035 0.000 2.990 88 T HA 0.221 4.597 4.350 0.044 0.000 0.249 88 T C 0.478 175.151 174.700 -0.045 0.000 1.039 88 T CA 0.270 62.394 62.100 0.040 0.000 1.036 88 T CB 0.073 69.022 68.868 0.136 0.000 0.994 88 T HN 0.652 8.892 8.240 -0.000 0.000 0.489 89 H N 0.129 119.233 119.070 0.057 0.000 2.894 89 H HA 0.646 5.229 4.556 0.045 0.000 0.368 89 H C -1.423 173.950 175.328 0.076 0.000 1.181 89 H CA -1.013 55.075 56.048 0.068 0.000 1.146 89 H CB 1.396 31.204 29.762 0.077 0.000 1.839 89 H HN 0.003 8.283 8.280 -0.000 0.000 0.557 90 D N 1.785 122.297 120.400 0.186 0.000 2.317 90 D HA 0.141 4.807 4.640 0.044 0.000 0.234 90 D C 0.314 176.669 176.300 0.092 0.000 1.112 90 D CA -0.262 53.808 54.000 0.117 0.000 0.840 90 D CB 0.561 41.405 40.800 0.073 0.000 1.078 90 D HN 0.644 9.014 8.370 -0.000 0.000 0.486 91 I N 1.016 121.627 120.570 0.068 0.000 3.817 91 I HA 0.145 4.341 4.170 0.044 0.000 0.325 91 I C 1.468 177.585 176.117 0.001 0.000 1.550 91 I CA -0.434 60.894 61.300 0.048 0.000 1.100 91 I CB 0.340 38.391 38.000 0.085 0.000 1.216 91 I HN 0.152 8.362 8.210 -0.000 0.000 0.481 92 T N -0.557 114.003 114.554 0.011 0.000 2.977 92 T HA -0.155 4.221 4.350 0.044 0.000 0.271 92 T C 1.589 176.262 174.700 -0.046 0.000 1.105 92 T CA 1.562 63.680 62.100 0.030 0.000 1.116 92 T CB -0.463 68.434 68.868 0.049 0.000 0.878 92 T HN 0.690 8.930 8.240 -0.000 0.000 0.509 93 K N -0.122 120.166 120.400 -0.188 0.000 2.283 93 K HA -0.078 4.269 4.320 0.044 0.000 0.202 93 K C 1.461 177.887 176.600 -0.291 0.000 1.048 93 K CA 1.204 57.309 56.287 -0.304 0.000 0.948 93 K CB -0.439 31.767 32.500 -0.489 0.000 0.742 93 K HN 0.543 8.793 8.250 -0.000 0.000 0.458 94 Y N 0.493 120.797 120.300 0.007 0.000 2.464 94 Y HA 0.164 4.741 4.550 0.045 0.000 0.288 94 Y C 1.100 177.005 175.900 0.008 0.000 1.133 94 Y CA -0.483 57.617 58.100 0.000 0.000 1.223 94 Y CB 0.948 39.398 38.460 -0.017 0.000 1.187 94 Y HN -0.061 8.219 8.280 -0.000 0.000 0.539 95 S N 0.387 116.194 115.700 0.178 0.000 2.557 95 S HA 0.254 4.751 4.470 0.044 0.000 0.291 95 S C 0.060 174.759 174.600 0.166 0.000 1.116 95 S CA -0.913 57.388 58.200 0.168 0.000 0.992 95 S CB 1.026 64.369 63.200 0.239 0.000 1.028 95 S HN 0.380 8.690 8.310 -0.000 0.000 0.484 96 K N 2.859 123.320 120.400 0.102 0.000 2.444 96 K HA 0.436 4.782 4.320 0.044 0.000 0.193 96 K C 0.598 177.216 176.600 0.030 0.000 1.024 96 K CA 0.016 56.342 56.287 0.066 0.000 1.077 96 K CB 0.030 32.549 32.500 0.032 0.000 0.833 96 K HN 0.497 8.747 8.250 -0.000 0.000 0.517 97 A N 2.325 125.155 122.820 0.017 0.000 2.566 97 A HA 0.003 4.350 4.320 0.044 0.000 0.245 97 A C 0.695 178.144 177.584 -0.225 0.000 1.056 97 A CA -0.083 51.836 52.037 -0.197 0.000 0.757 97 A CB 0.197 18.910 19.000 -0.478 0.000 0.979 97 A HN 0.393 8.543 8.150 -0.000 0.000 0.508 98 K N 2.088 122.363 120.400 -0.209 0.000 2.173 98 K HA -0.171 4.176 4.320 0.044 0.000 0.207 98 K C 1.717 178.193 176.600 -0.207 0.000 1.046 98 K CA 1.519 57.717 56.287 -0.149 0.000 0.929 98 K CB -0.291 32.138 32.500 -0.118 0.000 0.720 98 K HN 0.611 8.861 8.250 -0.000 0.000 0.453 99 V N 0.654 120.312 119.914 -0.427 0.000 2.688 99 V HA -0.205 3.941 4.120 0.044 0.000 0.256 99 V C 1.027 176.936 176.094 -0.308 0.000 1.084 99 V CA 1.707 63.723 62.300 -0.473 0.000 1.103 99 V CB -0.286 31.031 31.823 -0.844 0.000 0.688 99 V HN 0.192 8.382 8.190 -0.000 0.000 0.480 100 F N 0.492 120.417 119.950 -0.042 0.000 2.682 100 F HA 0.241 4.795 4.527 0.045 0.000 0.308 100 F C 2.042 177.845 175.800 0.006 0.000 1.093 100 F CA -0.013 58.002 58.000 0.026 0.000 1.244 100 F CB -0.699 38.323 39.000 0.037 0.000 1.052 100 F HN 0.342 8.642 8.300 -0.000 0.000 0.573 101 E N 1.950 122.221 120.200 0.119 0.000 2.169 101 E HA -0.273 4.103 4.350 0.044 0.000 0.202 101 E C -0.056 176.650 176.600 0.177 0.000 1.016 101 E CA 2.141 58.614 56.400 0.121 0.000 0.817 101 E CB -0.889 28.871 29.700 0.100 0.000 0.736 101 E HN 0.622 8.982 8.360 -0.000 0.000 0.462 102 H N -2.071 117.057 119.070 0.096 0.000 2.974 102 H HA 0.464 5.046 4.556 0.044 0.000 0.366 102 H C -0.783 174.588 175.328 0.071 0.000 1.155 102 H CA -1.036 55.053 56.048 0.070 0.000 1.186 102 H CB 0.532 30.317 29.762 0.039 0.000 1.799 102 H HN -0.015 8.265 8.280 -0.000 0.000 0.541 103 I N 2.692 123.367 120.570 0.175 0.000 2.775 103 I HA 0.172 4.369 4.170 0.044 0.000 0.290 103 I C 1.391 177.593 176.117 0.142 0.000 1.203 103 I CA 1.772 63.131 61.300 0.099 0.000 1.433 103 I CB 0.463 38.500 38.000 0.060 0.000 1.354 103 I HN 1.153 9.363 8.210 -0.000 0.000 0.579 104 G N 4.566 113.388 108.800 0.037 0.000 2.217 104 G HA2 -0.290 3.697 3.960 0.044 0.000 0.246 104 G HA3 -0.290 3.697 3.960 0.044 0.000 0.246 104 G C 0.431 175.332 174.900 0.001 0.000 0.990 104 G CA 0.013 45.143 45.100 0.050 0.000 0.627 104 G HN 0.641 8.931 8.290 -0.000 0.000 0.522 105 K N 1.346 121.624 120.400 -0.204 0.000 2.412 105 K HA 0.406 4.752 4.320 0.044 0.000 0.281 105 K C 0.029 176.564 176.600 -0.108 0.000 1.027 105 K CA 0.170 56.269 56.287 -0.314 0.000 0.989 105 K CB 0.176 32.252 32.500 -0.706 0.000 0.935 105 K HN 0.232 8.482 8.250 -0.000 0.000 0.475 106 K N 2.822 123.201 120.400 -0.034 0.000 2.274 106 K HA 0.258 4.604 4.320 0.044 0.000 0.262 106 K C -1.109 175.551 176.600 0.099 0.000 0.961 106 K CA -0.705 55.601 56.287 0.031 0.000 0.833 106 K CB 2.144 34.602 32.500 -0.070 0.000 1.102 106 K HN 0.506 8.756 8.250 -0.000 0.000 0.436 107 T N 4.094 118.785 114.554 0.228 0.000 2.812 107 T HA 0.331 4.708 4.350 0.044 0.000 0.282 107 T C -2.663 172.217 174.700 0.300 0.000 0.990 107 T CA -1.824 60.425 62.100 0.248 0.000 0.960 107 T CB 1.753 70.802 68.868 0.303 0.000 0.948 107 T HN 0.230 8.470 8.240 -0.000 0.000 0.438 108 P HA 0.333 4.753 4.420 -0.000 0.000 0.268 108 P C -0.606 176.901 177.300 0.346 0.000 1.205 108 P CA -0.344 62.937 63.100 0.302 0.000 0.771 108 P CB 0.298 32.159 31.700 0.269 0.000 0.858 109 I N -0.918 119.803 120.570 0.251 0.000 2.934 109 I HA 0.919 5.115 4.170 0.044 0.000 0.306 109 I C -1.370 174.831 176.117 0.141 0.000 1.110 109 I CA -1.528 59.782 61.300 0.017 0.000 1.019 109 I CB 2.648 40.435 38.000 -0.354 0.000 1.227 109 I HN 0.244 8.454 8.210 -0.000 0.000 0.434 110 A N 3.996 126.797 122.820 -0.033 0.000 2.371 110 A HA 0.875 5.222 4.320 0.044 0.000 0.311 110 A C -1.143 176.277 177.584 -0.274 0.000 1.068 110 A CA -0.607 51.368 52.037 -0.104 0.000 0.744 110 A CB 1.835 20.938 19.000 0.171 0.000 1.239 110 A HN 0.599 8.749 8.150 -0.000 0.000 0.435 111 V N 1.561 121.200 119.914 -0.458 0.000 2.925 111 V HA 0.718 4.864 4.120 0.044 0.000 0.311 111 V C -0.229 175.545 176.094 -0.534 0.000 1.104 111 V CA -0.707 61.296 62.300 -0.495 0.000 0.954 111 V CB 2.201 33.633 31.823 -0.651 0.000 1.022 111 V HN 0.978 9.168 8.190 -0.000 0.000 0.427 112 R N 2.234 122.368 120.500 -0.611 0.000 2.538 112 R HA 0.618 4.984 4.340 0.044 0.000 0.292 112 R C -1.968 173.949 176.300 -0.637 0.000 1.008 112 R CA -0.405 55.413 56.100 -0.471 0.000 0.896 112 R CB 1.449 31.679 30.300 -0.116 0.000 1.187 112 R HN 0.570 8.840 8.270 -0.000 0.000 0.440 113 F N 1.773 121.506 119.950 -0.361 0.000 2.432 113 F HA 0.596 5.149 4.527 0.043 0.000 0.329 113 F C 0.466 176.094 175.800 -0.286 0.000 1.076 113 F CA -0.142 57.550 58.000 -0.513 0.000 1.018 113 F CB 2.187 40.461 39.000 -1.210 0.000 1.201 113 F HN 0.650 8.950 8.300 -0.000 0.000 0.489 114 S N -1.108 114.656 115.700 0.106 0.000 2.611 114 S HA 0.526 5.023 4.470 0.044 0.000 0.270 114 S C -0.656 174.090 174.600 0.243 0.000 1.131 114 S CA -0.807 57.521 58.200 0.213 0.000 0.826 114 S CB 1.086 64.450 63.200 0.273 0.000 1.095 114 S HN 0.756 9.066 8.310 -0.000 0.000 0.461 115 T N -1.176 113.476 114.554 0.164 0.000 2.973 115 T HA 0.750 5.126 4.350 0.044 0.000 0.308 115 T C 0.869 175.483 174.700 -0.142 0.000 1.177 115 T CA 0.204 62.345 62.100 0.068 0.000 0.938 115 T CB 0.115 69.022 68.868 0.064 0.000 1.791 115 T HN 0.911 9.151 8.240 -0.000 0.000 0.581 116 V N -0.560 119.245 119.914 -0.182 0.000 3.161 116 V HA 0.374 4.520 4.120 0.044 0.000 0.221 116 V C 2.759 178.747 176.094 -0.176 0.000 1.296 116 V CA 0.483 62.572 62.300 -0.351 0.000 1.306 116 V CB -0.922 30.731 31.823 -0.282 0.000 1.171 116 V HN 0.967 9.157 8.190 -0.000 0.000 0.513 117 A N 0.855 123.590 122.820 -0.142 0.000 1.930 117 A HA 0.297 4.644 4.320 0.044 0.000 0.215 117 A C 1.595 179.115 177.584 -0.108 0.000 1.176 117 A CA 1.205 53.150 52.037 -0.153 0.000 0.632 117 A CB -0.995 17.890 19.000 -0.191 0.000 0.819 117 A HN 0.610 8.760 8.150 -0.000 0.000 0.445 118 G N 0.132 108.891 108.800 -0.069 0.000 2.491 118 G HA2 0.412 4.399 3.960 0.044 0.000 0.242 118 G HA3 0.412 4.399 3.960 0.044 0.000 0.242 118 G C -0.234 174.657 174.900 -0.016 0.000 1.266 118 G CA -0.245 44.830 45.100 -0.040 0.000 0.844 118 G HN 0.435 8.725 8.290 -0.000 0.000 0.571 119 E N -0.030 120.164 120.200 -0.011 0.000 2.622 119 E HA 0.373 4.750 4.350 0.044 0.000 0.255 119 E C 0.567 177.190 176.600 0.039 0.000 1.313 119 E CA -0.309 56.100 56.400 0.014 0.000 1.011 119 E CB 0.395 30.102 29.700 0.013 0.000 1.173 119 E HN 0.338 8.698 8.360 -0.000 0.000 0.601 120 S N 0.030 115.763 115.700 0.054 0.000 2.533 120 S HA 0.386 4.882 4.470 0.044 0.000 0.282 120 S C 1.017 175.645 174.600 0.046 0.000 1.304 120 S CA 0.525 58.765 58.200 0.066 0.000 1.063 120 S CB 0.350 63.597 63.200 0.079 0.000 0.881 120 S HN 0.765 9.075 8.310 -0.000 0.000 0.493 121 G N 2.428 111.252 108.800 0.041 0.000 2.313 121 G HA2 -0.288 3.698 3.960 0.044 0.000 0.215 121 G HA3 -0.288 3.698 3.960 0.044 0.000 0.215 121 G C 0.376 175.292 174.900 0.028 0.000 1.023 121 G CA -0.054 45.063 45.100 0.027 0.000 0.626 121 G HN 1.157 9.447 8.290 -0.000 0.000 0.503 122 S N 0.960 116.678 115.700 0.030 0.000 2.580 122 S HA 0.595 5.091 4.470 0.044 0.000 0.261 122 S C 0.775 175.397 174.600 0.037 0.000 1.366 122 S CA 0.673 58.888 58.200 0.025 0.000 0.996 122 S CB 1.266 64.476 63.200 0.016 0.000 0.902 122 S HN 2.013 10.323 8.310 -0.000 0.000 0.566 123 A N 0.702 123.541 122.820 0.032 0.000 2.371 123 A HA 0.380 4.727 4.320 0.044 0.000 0.257 123 A C 0.752 178.370 177.584 0.058 0.000 1.089 123 A CA -0.583 51.479 52.037 0.041 0.000 0.794 123 A CB -0.025 18.989 19.000 0.024 0.000 1.029 123 A HN 0.866 9.016 8.150 -0.000 0.000 0.488 124 D N 0.615 121.065 120.400 0.083 0.000 2.120 124 D HA -0.060 4.606 4.640 0.044 0.000 0.202 124 D C 1.392 177.740 176.300 0.080 0.000 0.972 124 D CA 2.162 56.228 54.000 0.111 0.000 0.837 124 D CB -0.401 40.488 40.800 0.148 0.000 0.989 124 D HN 0.682 9.052 8.370 -0.000 0.000 0.469 125 T N 0.270 114.850 114.554 0.043 0.000 4.475 125 T HA 0.336 4.712 4.350 0.044 0.000 0.254 125 T C 0.305 174.997 174.700 -0.014 0.000 1.160 125 T CA -0.544 61.549 62.100 -0.011 0.000 1.091 125 T CB -1.069 67.730 68.868 -0.116 0.000 1.377 125 T HN -0.042 8.198 8.240 -0.000 0.000 1.057 126 V N -0.874 119.044 119.914 0.006 0.000 3.040 126 V HA 0.651 4.797 4.120 0.044 0.000 0.312 126 V C 0.026 176.111 176.094 -0.014 0.000 1.115 126 V CA -1.916 60.381 62.300 -0.005 0.000 0.998 126 V CB 1.875 33.698 31.823 -0.001 0.000 1.042 126 V HN 0.567 8.757 8.190 -0.000 0.000 0.433 127 R N 1.685 122.159 120.500 -0.043 0.000 2.489 127 R HA 0.494 4.860 4.340 0.044 0.000 0.287 127 R C -0.919 175.337 176.300 -0.073 0.000 1.053 127 R CA 0.643 56.689 56.100 -0.090 0.000 1.036 127 R CB 0.069 30.259 30.300 -0.183 0.000 0.966 127 R HN 1.032 9.302 8.270 -0.000 0.000 0.432 128 D N 2.975 123.357 120.400 -0.030 0.000 3.058 128 D HA 0.161 4.828 4.640 0.044 0.000 0.275 128 D C -2.848 173.518 176.300 0.109 0.000 1.089 128 D CA -0.778 53.242 54.000 0.035 0.000 0.722 128 D CB 1.275 42.085 40.800 0.016 0.000 1.454 128 D HN 0.229 8.599 8.370 -0.000 0.000 0.453 129 P HA 0.411 4.831 4.420 -0.000 0.000 0.274 129 P C -0.824 176.615 177.300 0.231 0.000 1.260 129 P CA -0.378 62.876 63.100 0.257 0.000 0.793 129 P CB 0.497 32.422 31.700 0.375 0.000 1.048 130 R N 0.307 120.983 120.500 0.293 0.000 2.502 130 R HA 0.467 4.833 4.340 0.044 0.000 0.300 130 R C -0.001 176.524 176.300 0.375 0.000 0.984 130 R CA -0.610 55.675 56.100 0.309 0.000 0.882 130 R CB 1.561 32.046 30.300 0.308 0.000 1.180 130 R HN 0.628 8.898 8.270 -0.000 0.000 0.444 131 G N 1.677 110.735 108.800 0.431 0.000 2.442 131 G HA2 0.310 4.296 3.960 0.044 0.000 0.249 131 G HA3 0.310 4.296 3.960 0.044 0.000 0.249 131 G C -0.856 174.165 174.900 0.201 0.000 1.263 131 G CA 0.071 45.369 45.100 0.329 0.000 0.846 131 G HN 0.408 8.698 8.290 -0.000 0.000 0.555 132 F N 2.510 122.394 119.950 -0.110 0.000 2.971 132 F HA 0.586 5.139 4.527 0.044 0.000 0.373 132 F C 0.114 175.667 175.800 -0.412 0.000 1.288 132 F CA -1.851 56.010 58.000 -0.232 0.000 1.204 132 F CB 0.556 39.544 39.000 -0.019 0.000 1.852 132 F HN 0.658 8.958 8.300 -0.000 0.000 0.624 133 A N 3.058 125.614 122.820 -0.441 0.000 2.309 133 A HA 0.775 5.122 4.320 0.044 0.000 0.298 133 A C -1.133 175.891 177.584 -0.934 0.000 1.165 133 A CA -0.435 51.054 52.037 -0.914 0.000 0.821 133 A CB 0.957 18.916 19.000 -1.735 0.000 1.102 133 A HN 0.313 8.463 8.150 -0.000 0.000 0.500 134 V N 2.865 122.313 119.914 -0.776 0.000 2.487 134 V HA 0.411 4.557 4.120 0.044 0.000 0.298 134 V C -0.001 175.740 176.094 -0.587 0.000 1.028 134 V CA -0.709 61.157 62.300 -0.723 0.000 0.860 134 V CB 1.570 32.763 31.823 -1.050 0.000 0.991 134 V HN 0.918 9.108 8.190 -0.000 0.000 0.427 135 K N 4.355 124.519 120.400 -0.393 0.000 2.293 135 K HA 0.582 4.928 4.320 0.044 0.000 0.267 135 K C -1.572 174.586 176.600 -0.736 0.000 1.010 135 K CA -0.455 55.557 56.287 -0.459 0.000 0.875 135 K CB 0.756 32.958 32.500 -0.497 0.000 1.106 135 K HN 0.481 8.731 8.250 -0.000 0.000 0.450 136 F N 4.041 123.669 119.950 -0.537 0.000 2.404 136 F HA 0.258 4.811 4.527 0.043 0.000 0.354 136 F C -0.395 175.193 175.800 -0.354 0.000 1.122 136 F CA -0.653 57.127 58.000 -0.366 0.000 1.080 136 F CB 0.762 39.614 39.000 -0.246 0.000 1.131 136 F HN 0.432 8.732 8.300 -0.000 0.000 0.471 137 Y N 1.728 122.034 120.300 0.010 0.000 2.724 137 Y HA 0.220 4.797 4.550 0.044 0.000 0.332 137 Y C 1.042 176.858 175.900 -0.139 0.000 1.276 137 Y CA -0.872 57.139 58.100 -0.149 0.000 1.597 137 Y CB -0.288 37.939 38.460 -0.388 0.000 1.584 137 Y HN 0.561 8.841 8.280 -0.000 0.000 0.478 138 T N -2.680 111.885 114.554 0.018 0.000 2.847 138 T HA 0.163 4.539 4.350 0.044 0.000 0.279 138 T C 1.044 175.706 174.700 -0.063 0.000 0.984 138 T CA -0.621 61.461 62.100 -0.031 0.000 0.988 138 T CB 1.104 69.922 68.868 -0.084 0.000 1.040 138 T HN 0.528 8.768 8.240 -0.000 0.000 0.528 139 E N -0.040 120.120 120.200 -0.066 0.000 2.268 139 E HA -0.004 4.373 4.350 0.044 0.000 0.195 139 E C 0.657 177.219 176.600 -0.063 0.000 0.995 139 E CA 0.752 57.116 56.400 -0.060 0.000 0.836 139 E CB 0.003 29.676 29.700 -0.045 0.000 0.763 139 E HN 0.580 8.940 8.360 -0.000 0.000 0.491 140 D N 0.063 120.416 120.400 -0.078 0.000 2.561 140 D HA 0.253 4.919 4.640 0.044 0.000 0.232 140 D C 0.282 176.539 176.300 -0.071 0.000 1.198 140 D CA 0.570 54.523 54.000 -0.079 0.000 0.826 140 D CB 0.142 40.878 40.800 -0.106 0.000 0.992 140 D HN 0.188 8.558 8.370 -0.000 0.000 0.490 141 G N 0.564 109.329 108.800 -0.059 0.000 2.660 141 G HA2 -0.226 3.760 3.960 0.044 0.000 0.247 141 G HA3 -0.226 3.760 3.960 0.044 0.000 0.247 141 G C -0.409 174.469 174.900 -0.037 0.000 1.328 141 G CA -1.021 44.052 45.100 -0.045 0.000 0.884 141 G HN 0.170 8.460 8.290 -0.000 0.000 0.531 142 N N -0.461 118.220 118.700 -0.033 0.000 2.518 142 N HA 0.520 5.286 4.740 0.044 0.000 0.283 142 N C -0.803 174.732 175.510 0.042 0.000 1.119 142 N CA -0.089 52.931 53.050 -0.051 0.000 0.983 142 N CB 1.267 39.677 38.487 -0.128 0.000 1.139 142 N HN 0.685 9.065 8.380 -0.000 0.000 0.465 143 W N 2.689 123.891 121.300 -0.163 0.000 2.424 143 W HA 0.357 5.042 4.660 0.043 0.000 0.318 143 W C -1.426 175.059 176.519 -0.058 0.000 1.016 143 W CA -0.912 56.330 57.345 -0.171 0.000 1.268 143 W CB 0.565 29.816 29.460 -0.348 0.000 1.297 143 W HN 0.317 8.497 8.180 -0.000 0.000 0.428 144 D N 5.961 126.268 120.400 -0.155 0.000 2.329 144 D HA 0.178 4.845 4.640 0.044 0.000 0.232 144 D C -0.823 175.172 176.300 -0.509 0.000 1.088 144 D CA -0.366 53.474 54.000 -0.267 0.000 0.835 144 D CB 1.937 42.717 40.800 -0.034 0.000 1.078 144 D HN 0.338 8.708 8.370 -0.000 0.000 0.495 145 L N 4.278 125.065 121.223 -0.727 0.000 2.360 145 L HA 0.198 4.565 4.340 0.044 0.000 0.265 145 L C -0.758 175.834 176.870 -0.464 0.000 1.066 145 L CA -0.661 53.755 54.840 -0.706 0.000 0.929 145 L CB 0.834 42.322 42.059 -0.952 0.000 1.306 145 L HN 0.076 8.306 8.230 -0.000 0.000 0.434 146 V N 5.083 124.799 119.914 -0.330 0.000 2.287 146 V HA 0.497 4.644 4.120 0.044 0.000 0.246 146 V C 1.130 177.104 176.094 -0.200 0.000 1.165 146 V CA 0.058 62.156 62.300 -0.337 0.000 1.088 146 V CB -0.533 31.082 31.823 -0.347 0.000 1.242 146 V HN 0.766 8.956 8.190 -0.000 0.000 0.497 147 G N 3.124 111.822 108.800 -0.169 0.000 2.601 147 G HA2 0.610 4.596 3.960 0.044 0.000 0.317 147 G HA3 0.610 4.596 3.960 0.044 0.000 0.317 147 G C -0.681 174.218 174.900 -0.002 0.000 1.246 147 G CA -0.646 44.416 45.100 -0.064 0.000 1.012 147 G HN 0.492 8.782 8.290 -0.000 0.000 0.494 148 N N -0.899 117.828 118.700 0.045 0.000 2.577 148 N HA 0.215 4.982 4.740 0.044 0.000 0.285 148 N C 0.305 175.952 175.510 0.228 0.000 1.309 148 N CA -0.767 52.389 53.050 0.176 0.000 0.798 148 N CB 1.462 40.064 38.487 0.192 0.000 1.463 148 N HN 0.533 8.913 8.380 -0.000 0.000 0.518 149 N N -1.088 117.809 118.700 0.327 0.000 2.362 149 N HA -0.015 4.751 4.740 0.044 0.000 0.204 149 N C -0.477 175.298 175.510 0.441 0.000 1.166 149 N CA 0.074 53.376 53.050 0.421 0.000 0.831 149 N CB -0.017 38.717 38.487 0.413 0.000 1.008 149 N HN 0.396 8.776 8.380 -0.000 0.000 0.472 150 T N -0.149 114.492 114.554 0.146 0.000 2.912 150 T HA 0.368 4.744 4.350 0.044 0.000 0.299 150 T C -2.457 171.762 174.700 -0.801 0.000 1.052 150 T CA -1.693 60.113 62.100 -0.490 0.000 0.996 150 T CB 2.261 70.876 68.868 -0.423 0.000 1.070 150 T HN -0.168 8.072 8.240 -0.000 0.000 0.465 151 P HA 0.181 4.601 4.420 -0.000 0.000 0.236 151 P C 0.534 177.449 177.300 -0.643 0.000 1.177 151 P CA 0.321 62.803 63.100 -1.029 0.000 0.773 151 P CB -0.035 31.034 31.700 -1.052 0.000 0.878 152 I N -5.669 114.518 120.570 -0.638 0.000 3.445 152 I HA 0.681 4.878 4.170 0.044 0.000 0.303 152 I C -0.914 175.030 176.117 -0.289 0.000 1.129 152 I CA -1.640 59.382 61.300 -0.463 0.000 0.989 152 I CB 1.793 39.438 38.000 -0.591 0.000 1.314 152 I HN -0.299 7.911 8.210 -0.000 0.000 0.488 153 F N -0.556 119.143 119.950 -0.419 0.000 2.664 153 F HA 0.478 5.031 4.527 0.043 0.000 0.317 153 F C -0.036 175.552 175.800 -0.354 0.000 1.108 153 F CA -0.737 57.045 58.000 -0.363 0.000 0.957 153 F CB 1.974 40.894 39.000 -0.134 0.000 1.365 153 F HN 0.421 8.721 8.300 -0.000 0.000 0.475 154 F N 2.310 121.726 119.950 -0.890 0.000 2.216 154 F HA -0.020 4.535 4.527 0.047 0.000 0.300 154 F C 0.806 176.433 175.800 -0.289 0.000 1.085 154 F CA 1.080 58.682 58.000 -0.662 0.000 1.326 154 F CB -0.301 38.051 39.000 -1.081 0.000 1.027 154 F HN 0.125 8.425 8.300 -0.000 0.000 0.497 155 I N -1.931 118.729 120.570 0.151 0.000 3.002 155 I HA 0.481 4.678 4.170 0.044 0.000 0.310 155 I C 0.555 176.818 176.117 0.243 0.000 1.087 155 I CA -1.143 60.286 61.300 0.214 0.000 1.017 155 I CB 2.330 40.511 38.000 0.302 0.000 1.226 155 I HN -0.054 8.156 8.210 -0.000 0.000 0.443 156 R N 0.118 120.722 120.500 0.174 0.000 2.508 156 R HA 0.398 4.765 4.340 0.044 0.000 0.300 156 R C -0.670 175.716 176.300 0.143 0.000 0.970 156 R CA -0.300 55.888 56.100 0.146 0.000 1.102 156 R CB 0.349 30.709 30.300 0.101 0.000 1.246 156 R HN 0.689 8.959 8.270 -0.000 0.000 0.539 157 D N 1.362 121.864 120.400 0.169 0.000 2.863 157 D HA 0.194 4.860 4.640 0.044 0.000 0.245 157 D C -1.930 174.484 176.300 0.189 0.000 1.211 157 D CA -2.240 51.850 54.000 0.150 0.000 0.888 157 D CB 2.622 43.501 40.800 0.132 0.000 1.483 157 D HN -0.183 8.187 8.370 -0.000 0.000 0.533 158 P HA -0.093 4.327 4.420 -0.000 0.000 0.219 158 P C 1.717 179.139 177.300 0.204 0.000 1.146 158 P CA 0.433 63.629 63.100 0.161 0.000 0.808 158 P CB 0.675 32.421 31.700 0.076 0.000 0.779 159 I N -1.290 119.374 120.570 0.158 0.000 3.083 159 I HA -0.135 4.062 4.170 0.044 0.000 0.273 159 I C 1.590 177.811 176.117 0.172 0.000 1.297 159 I CA 0.646 62.029 61.300 0.138 0.000 1.452 159 I CB -0.050 38.005 38.000 0.092 0.000 1.078 159 I HN -0.147 8.063 8.210 -0.000 0.000 0.484 160 L N -1.191 120.180 121.223 0.246 0.000 2.590 160 L HA 0.056 4.422 4.340 0.044 0.000 0.227 160 L C 1.666 178.731 176.870 0.325 0.000 1.099 160 L CA 0.444 55.466 54.840 0.304 0.000 0.872 160 L CB -0.377 41.916 42.059 0.391 0.000 1.088 160 L HN 0.134 8.364 8.230 -0.000 0.000 0.479 161 F N 2.022 122.093 119.950 0.202 0.000 2.069 161 F HA -0.188 4.365 4.527 0.043 0.000 0.298 161 F C -0.457 175.373 175.800 0.051 0.000 1.113 161 F CA 1.876 60.011 58.000 0.225 0.000 1.214 161 F CB -1.006 38.113 39.000 0.199 0.000 0.978 161 F HN 0.102 8.402 8.300 -0.000 0.000 0.474 162 P HA -0.167 4.253 4.420 -0.000 0.000 0.216 162 P C 1.810 178.707 177.300 -0.672 0.000 1.153 162 P CA 2.345 65.232 63.100 -0.356 0.000 0.858 162 P CB -0.063 31.507 31.700 -0.217 0.000 0.789 163 S N -1.398 114.043 115.700 -0.433 0.000 2.355 163 S HA -0.156 4.340 4.470 0.044 0.000 0.222 163 S C 1.649 175.805 174.600 -0.740 0.000 1.031 163 S CA 1.011 58.938 58.200 -0.455 0.000 0.993 163 S CB -1.230 61.893 63.200 -0.128 0.000 0.859 163 S HN 0.189 8.499 8.310 -0.000 0.000 0.453 164 F N 2.283 121.661 119.950 -0.953 0.000 2.095 164 F HA -0.169 4.386 4.527 0.047 0.000 0.298 164 F C 1.857 177.155 175.800 -0.838 0.000 1.104 164 F CA 1.241 58.501 58.000 -1.233 0.000 1.232 164 F CB -0.136 38.542 39.000 -0.536 0.000 0.987 164 F HN 0.091 8.391 8.300 -0.000 0.000 0.475 165 I N 0.615 120.551 120.570 -1.057 0.000 2.286 165 I HA -0.306 3.891 4.170 0.044 0.000 0.248 165 I C 2.392 178.159 176.117 -0.584 0.000 1.115 165 I CA 1.684 62.418 61.300 -0.943 0.000 1.392 165 I CB -1.837 35.700 38.000 -0.772 0.000 1.065 165 I HN 0.364 8.574 8.210 -0.000 0.000 0.418 166 H N 0.422 119.143 119.070 -0.582 0.000 2.321 166 H HA -0.131 4.451 4.556 0.044 0.000 0.300 166 H C 2.479 177.527 175.328 -0.467 0.000 1.087 166 H CA 1.576 57.369 56.048 -0.425 0.000 1.319 166 H CB 0.158 29.734 29.762 -0.309 0.000 1.379 166 H HN 0.373 8.653 8.280 -0.000 0.000 0.501 167 S N 0.668 116.089 115.700 -0.465 0.000 2.419 167 S HA -0.165 4.331 4.470 0.044 0.000 0.235 167 S C 1.866 176.124 174.600 -0.570 0.000 1.019 167 S CA 0.974 58.875 58.200 -0.498 0.000 0.982 167 S CB -0.035 62.791 63.200 -0.624 0.000 0.789 167 S HN 0.376 8.686 8.310 -0.000 0.000 0.490 168 Q N 0.843 120.206 119.800 -0.727 0.000 2.389 168 Q HA 0.266 4.632 4.340 0.044 0.000 0.204 168 Q C 0.922 176.657 176.000 -0.441 0.000 0.944 168 Q CA 0.657 56.053 55.803 -0.678 0.000 0.908 168 Q CB 0.113 28.306 28.738 -0.909 0.000 1.002 168 Q HN 0.665 8.935 8.270 -0.000 0.000 0.493 169 K N 0.176 120.347 120.400 -0.382 0.000 2.617 169 K HA 0.341 4.688 4.320 0.044 0.000 0.298 169 K C 0.212 176.655 176.600 -0.262 0.000 0.984 169 K CA -0.668 55.443 56.287 -0.293 0.000 1.299 169 K CB 0.516 32.855 32.500 -0.270 0.000 1.608 169 K HN -0.129 8.121 8.250 -0.000 0.000 0.730 170 R N 1.659 121.994 120.500 -0.274 0.000 2.500 170 R HA 0.121 4.487 4.340 0.044 0.000 0.275 170 R C 0.096 176.275 176.300 -0.202 0.000 1.051 170 R CA -0.612 55.325 56.100 -0.272 0.000 1.088 170 R CB 0.358 30.383 30.300 -0.460 0.000 1.063 170 R HN 0.456 8.726 8.270 -0.000 0.000 0.511 171 N N 3.447 122.062 118.700 -0.142 0.000 2.454 171 N HA -0.018 4.748 4.740 0.044 0.000 0.260 171 N C -1.532 173.941 175.510 -0.061 0.000 1.218 171 N CA -1.140 51.855 53.050 -0.091 0.000 0.904 171 N CB 0.984 39.438 38.487 -0.055 0.000 1.065 171 N HN 0.374 8.754 8.380 -0.000 0.000 0.462 172 P HA -0.174 4.246 4.420 -0.000 0.000 0.221 172 P C 0.806 178.099 177.300 -0.012 0.000 1.145 172 P CA 1.412 64.481 63.100 -0.051 0.000 0.795 172 P CB 0.439 32.095 31.700 -0.074 0.000 0.775 173 Q N 0.045 119.841 119.800 -0.007 0.000 2.387 173 Q HA -0.023 4.343 4.340 0.044 0.000 0.208 173 Q C 2.093 178.102 176.000 0.016 0.000 0.935 173 Q CA 1.405 57.207 55.803 -0.000 0.000 0.891 173 Q CB -0.143 28.591 28.738 -0.006 0.000 1.007 173 Q HN 0.196 8.466 8.270 -0.000 0.000 0.548 174 T N -3.323 111.245 114.554 0.022 0.000 3.054 174 T HA -0.027 4.349 4.350 0.044 0.000 0.259 174 T C 0.332 175.094 174.700 0.103 0.000 1.092 174 T CA 0.942 63.064 62.100 0.037 0.000 1.121 174 T CB -0.163 68.713 68.868 0.013 0.000 0.912 174 T HN 0.606 8.847 8.240 -0.000 0.000 0.489 175 H N 0.064 119.103 119.070 -0.051 0.000 2.936 175 H HA -0.096 4.487 4.556 0.044 0.000 0.276 175 H C -0.817 174.481 175.328 -0.051 0.000 1.216 175 H CA 0.509 56.524 56.048 -0.056 0.000 1.132 175 H CB -2.219 27.516 29.762 -0.046 0.000 1.303 175 H HN 0.554 8.834 8.280 -0.000 0.000 0.370 176 L N 0.296 121.485 121.223 -0.057 0.000 2.333 176 L HA 0.419 4.786 4.340 0.044 0.000 0.269 176 L C 0.704 177.512 176.870 -0.103 0.000 1.010 176 L CA -1.203 53.593 54.840 -0.072 0.000 0.818 176 L CB 1.655 43.697 42.059 -0.029 0.000 1.306 176 L HN 0.035 8.265 8.230 -0.000 0.000 0.430 177 K N 1.033 121.376 120.400 -0.095 0.000 2.436 177 K HA 0.075 4.421 4.320 0.044 0.000 0.275 177 K C -0.758 175.800 176.600 -0.070 0.000 0.999 177 K CA 0.171 56.403 56.287 -0.091 0.000 0.980 177 K CB 0.360 32.830 32.500 -0.050 0.000 0.919 177 K HN 0.390 8.640 8.250 -0.000 0.000 0.484 178 D N 3.294 123.646 120.400 -0.080 0.000 2.421 178 D HA 0.150 4.816 4.640 0.044 0.000 0.254 178 D C -1.886 174.387 176.300 -0.046 0.000 1.238 178 D CA -2.264 51.698 54.000 -0.062 0.000 0.919 178 D CB 1.502 42.261 40.800 -0.069 0.000 1.152 178 D HN 0.177 8.547 8.370 -0.000 0.000 0.552 179 P HA -0.084 4.336 4.420 -0.000 0.000 0.225 179 P C 0.601 177.966 177.300 0.108 0.000 1.148 179 P CA 0.599 63.726 63.100 0.045 0.000 0.779 179 P CB 0.807 32.440 31.700 -0.112 0.000 0.780 180 D N -0.800 119.617 120.400 0.029 0.000 2.149 180 D HA -0.026 4.640 4.640 0.044 0.000 0.201 180 D C 2.138 178.450 176.300 0.020 0.000 0.972 180 D CA 1.048 55.065 54.000 0.028 0.000 0.835 180 D CB -0.518 40.292 40.800 0.017 0.000 0.966 180 D HN 0.150 8.520 8.370 -0.000 0.000 0.476 181 M N -0.339 119.243 119.600 -0.031 0.000 2.099 181 M HA -0.124 4.382 4.480 0.044 0.000 0.262 181 M C 2.225 178.422 176.300 -0.172 0.000 1.067 181 M CA 0.788 56.040 55.300 -0.081 0.000 1.124 181 M CB -0.071 32.451 32.600 -0.130 0.000 1.353 181 M HN -0.109 8.181 8.290 -0.000 0.000 0.410 182 V N -0.820 118.932 119.914 -0.270 0.000 2.233 182 V HA -0.289 3.858 4.120 0.044 0.000 0.247 182 V C 1.746 177.437 176.094 -0.670 0.000 1.050 182 V CA 2.156 64.078 62.300 -0.631 0.000 1.010 182 V CB -0.778 30.704 31.823 -0.569 0.000 0.637 182 V HN 0.588 8.778 8.190 -0.000 0.000 0.444 183 W N -0.259 121.012 121.300 -0.049 0.000 2.658 183 W HA 0.005 4.689 4.660 0.041 0.000 0.263 183 W C 2.240 178.787 176.519 0.047 0.000 1.274 183 W CA 0.832 58.228 57.345 0.084 0.000 1.343 183 W CB -0.276 29.238 29.460 0.090 0.000 1.106 183 W HN 0.287 8.467 8.180 -0.000 0.000 0.615 184 D N -0.159 120.332 120.400 0.152 0.000 2.117 184 D HA -0.232 4.434 4.640 0.044 0.000 0.198 184 D C 1.838 178.221 176.300 0.138 0.000 0.982 184 D CA 1.203 55.272 54.000 0.115 0.000 0.828 184 D CB -0.425 40.436 40.800 0.102 0.000 0.967 184 D HN 0.107 8.477 8.370 -0.000 0.000 0.464 185 F N -0.434 119.493 119.950 -0.038 0.000 2.113 185 F HA -0.116 4.438 4.527 0.045 0.000 0.297 185 F C 1.858 177.714 175.800 0.094 0.000 1.103 185 F CA 1.280 59.264 58.000 -0.027 0.000 1.248 185 F CB -0.166 38.749 39.000 -0.141 0.000 0.999 185 F HN 0.020 8.320 8.300 -0.000 0.000 0.475 186 W N 0.966 122.286 121.300 0.034 0.000 2.355 186 W HA -0.150 4.540 4.660 0.051 0.000 0.309 186 W C 3.107 179.578 176.519 -0.080 0.000 1.206 186 W CA 1.798 59.093 57.345 -0.082 0.000 1.284 186 W CB -1.679 27.680 29.460 -0.169 0.000 1.145 186 W HN 0.237 8.417 8.180 -0.000 0.000 0.502 187 S N -0.167 115.694 115.700 0.270 0.000 2.399 187 S HA -0.146 4.350 4.470 0.044 0.000 0.231 187 S C 1.928 176.539 174.600 0.017 0.000 1.022 187 S CA 1.144 59.419 58.200 0.126 0.000 0.983 187 S CB -0.904 62.381 63.200 0.142 0.000 0.803 187 S HN 0.248 8.558 8.310 -0.000 0.000 0.480 188 L N 0.046 121.261 121.223 -0.013 0.000 2.313 188 L HA 0.183 4.550 4.340 0.044 0.000 0.214 188 L C 0.837 177.621 176.870 -0.144 0.000 1.119 188 L CA 0.467 55.267 54.840 -0.067 0.000 0.809 188 L CB -0.065 41.954 42.059 -0.067 0.000 0.933 188 L HN 0.144 8.374 8.230 -0.000 0.000 0.449 189 R N 0.411 120.783 120.500 -0.214 0.000 2.587 189 R HA 0.223 4.589 4.340 0.044 0.000 0.283 189 R C -1.948 174.273 176.300 -0.131 0.000 1.472 189 R CA -1.960 54.003 56.100 -0.228 0.000 1.578 189 R CB 0.212 30.233 30.300 -0.466 0.000 1.130 189 R HN -0.038 8.232 8.270 -0.000 0.000 0.602 190 P HA -0.166 4.254 4.420 -0.000 0.000 0.231 190 P C 0.764 178.000 177.300 -0.105 0.000 1.158 190 P CA 0.901 63.931 63.100 -0.117 0.000 0.763 190 P CB 0.412 32.047 31.700 -0.109 0.000 0.805 191 E N 0.915 121.066 120.200 -0.082 0.000 2.347 191 E HA -0.103 4.273 4.350 0.044 0.000 0.196 191 E C 1.512 178.064 176.600 -0.080 0.000 1.008 191 E CA 1.253 57.614 56.400 -0.064 0.000 0.852 191 E CB -0.934 28.747 29.700 -0.031 0.000 0.783 191 E HN 0.341 8.701 8.360 -0.000 0.000 0.505 192 S N 0.755 116.393 115.700 -0.103 0.000 2.522 192 S HA 0.022 4.519 4.470 0.044 0.000 0.227 192 S C 2.107 176.574 174.600 -0.221 0.000 0.986 192 S CA 0.085 58.190 58.200 -0.159 0.000 0.929 192 S CB -0.603 62.488 63.200 -0.181 0.000 0.769 192 S HN 0.188 8.498 8.310 -0.000 0.000 0.529 193 L N 0.923 122.053 121.223 -0.155 0.000 2.051 193 L HA -0.233 4.133 4.340 0.044 0.000 0.214 193 L C 2.863 179.761 176.870 0.047 0.000 1.076 193 L CA 2.209 57.005 54.840 -0.075 0.000 0.758 193 L CB -0.793 41.220 42.059 -0.076 0.000 0.890 193 L HN 0.530 8.760 8.230 -0.000 0.000 0.433 194 H N -0.879 118.108 119.070 -0.139 0.000 2.270 194 H HA -0.251 4.336 4.556 0.052 0.000 0.299 194 H C 2.382 177.535 175.328 -0.292 0.000 1.077 194 H CA 1.620 57.554 56.048 -0.189 0.000 1.294 194 H CB 0.316 29.934 29.762 -0.241 0.000 1.371 194 H HN 0.201 8.481 8.280 -0.000 0.000 0.491 195 Q N 0.606 120.173 119.800 -0.388 0.000 2.224 195 Q HA -0.073 4.294 4.340 0.044 0.000 0.203 195 Q C 2.228 177.974 176.000 -0.424 0.000 0.970 195 Q CA 1.200 56.615 55.803 -0.646 0.000 0.865 195 Q CB -0.215 27.806 28.738 -1.194 0.000 0.922 195 Q HN 0.335 8.605 8.270 -0.000 0.000 0.445 196 V N -0.026 119.732 119.914 -0.260 0.000 2.427 196 V HA -0.203 3.943 4.120 0.044 0.000 0.248 196 V C 2.115 178.379 176.094 0.283 0.000 1.051 196 V CA 1.860 64.129 62.300 -0.052 0.000 1.048 196 V CB -0.510 31.135 31.823 -0.297 0.000 0.666 196 V HN 0.343 8.533 8.190 -0.000 0.000 0.456 197 S N -0.506 115.358 115.700 0.272 0.000 2.383 197 S HA -0.128 4.368 4.470 0.044 0.000 0.227 197 S C 1.740 176.561 174.600 0.368 0.000 1.026 197 S CA 1.431 59.911 58.200 0.466 0.000 0.981 197 S CB -0.374 63.182 63.200 0.593 0.000 0.818 197 S HN 0.627 8.937 8.310 -0.000 0.000 0.472 198 F N 1.776 121.639 119.950 -0.146 0.000 2.206 198 F HA 0.006 4.557 4.527 0.040 0.000 0.298 198 F C 1.879 177.667 175.800 -0.020 0.000 1.090 198 F CA 0.652 58.523 58.000 -0.215 0.000 1.323 198 F CB -0.178 38.513 39.000 -0.515 0.000 1.028 198 F HN 0.123 8.423 8.300 -0.000 0.000 0.492 199 L N -0.268 120.963 121.223 0.015 0.000 2.046 199 L HA -0.147 4.219 4.340 0.044 0.000 0.208 199 L C 1.458 178.213 176.870 -0.192 0.000 1.077 199 L CA 1.931 56.716 54.840 -0.091 0.000 0.747 199 L CB -1.052 40.993 42.059 -0.023 0.000 0.896 199 L HN 0.109 8.339 8.230 -0.000 0.000 0.432 200 F N -0.595 119.395 119.950 0.067 0.000 2.731 200 F HA 0.168 4.720 4.527 0.042 0.000 0.304 200 F C 1.572 177.402 175.800 0.050 0.000 1.133 200 F CA 0.175 58.227 58.000 0.087 0.000 1.380 200 F CB -0.618 38.477 39.000 0.157 0.000 1.079 200 F HN 0.146 8.446 8.300 -0.000 0.000 0.550 201 S N -1.295 114.469 115.700 0.107 0.000 2.694 201 S HA 0.146 4.642 4.470 0.044 0.000 0.278 201 S C 1.180 175.747 174.600 -0.055 0.000 1.152 201 S CA -0.743 57.485 58.200 0.048 0.000 1.010 201 S CB 0.781 64.031 63.200 0.084 0.000 1.104 201 S HN 0.076 8.386 8.310 -0.000 0.000 0.547 202 D N 0.669 121.036 120.400 -0.055 0.000 2.158 202 D HA -0.102 4.564 4.640 0.044 0.000 0.197 202 D C 1.748 177.992 176.300 -0.094 0.000 0.995 202 D CA 1.248 55.214 54.000 -0.056 0.000 0.846 202 D CB -0.267 40.512 40.800 -0.035 0.000 0.941 202 D HN 0.536 8.906 8.370 -0.000 0.000 0.456 203 R N 0.355 120.741 120.500 -0.189 0.000 2.339 203 R HA 0.058 4.425 4.340 0.044 0.000 0.199 203 R C 2.078 178.249 176.300 -0.216 0.000 1.018 203 R CA 0.372 56.346 56.100 -0.211 0.000 1.036 203 R CB -0.211 29.899 30.300 -0.316 0.000 0.899 203 R HN 0.107 8.377 8.270 -0.000 0.000 0.473 204 G N 1.123 109.797 108.800 -0.210 0.000 2.443 204 G HA2 -0.107 3.879 3.960 0.044 0.000 0.219 204 G HA3 -0.107 3.879 3.960 0.044 0.000 0.219 204 G C 0.783 175.647 174.900 -0.060 0.000 1.131 204 G CA 0.366 45.375 45.100 -0.151 0.000 0.775 204 G HN 0.191 8.481 8.290 -0.000 0.000 0.547 205 I N 1.483 122.029 120.570 -0.040 0.000 2.623 205 I HA 0.256 4.453 4.170 0.044 0.000 0.275 205 I C -2.671 173.457 176.117 0.019 0.000 1.108 205 I CA -2.029 59.268 61.300 -0.006 0.000 1.120 205 I CB 2.453 40.439 38.000 -0.023 0.000 1.249 205 I HN -0.156 8.054 8.210 -0.000 0.000 0.500 206 P HA 0.002 4.422 4.420 -0.000 0.000 0.272 206 P C -0.357 176.997 177.300 0.090 0.000 1.223 206 P CA -0.212 62.943 63.100 0.091 0.000 0.784 206 P CB 0.662 32.445 31.700 0.137 0.000 0.923 207 D N 2.335 122.804 120.400 0.116 0.000 2.551 207 D HA 0.302 4.968 4.640 0.044 0.000 0.223 207 D C 0.787 177.226 176.300 0.232 0.000 1.144 207 D CA 0.756 54.859 54.000 0.171 0.000 1.025 207 D CB -1.168 39.696 40.800 0.105 0.000 1.085 207 D HN 0.578 8.948 8.370 -0.000 0.000 0.506 208 G N 3.257 112.142 108.800 0.140 0.000 2.760 208 G HA2 -0.257 3.730 3.960 0.044 0.000 0.246 208 G HA3 -0.257 3.730 3.960 0.044 0.000 0.246 208 G C 0.704 175.448 174.900 -0.261 0.000 1.359 208 G CA -0.349 44.657 45.100 -0.156 0.000 0.861 208 G HN 0.544 8.834 8.290 -0.000 0.000 0.541 209 H N 0.397 119.324 119.070 -0.239 0.000 2.465 209 H HA 0.071 4.653 4.556 0.043 0.000 0.289 209 H C 2.754 177.853 175.328 -0.381 0.000 1.022 209 H CA 1.355 57.074 56.048 -0.549 0.000 1.340 209 H CB 0.065 28.984 29.762 -1.405 0.000 1.437 209 H HN 0.535 8.815 8.280 -0.000 0.000 0.539 210 R N 0.473 120.847 120.500 -0.210 0.000 2.237 210 R HA -0.049 4.317 4.340 0.044 0.000 0.219 210 R C 0.373 176.478 176.300 -0.324 0.000 1.080 210 R CA 0.638 56.594 56.100 -0.240 0.000 0.995 210 R CB 0.058 30.106 30.300 -0.419 0.000 0.875 210 R HN 0.387 8.657 8.270 -0.000 0.000 0.462 211 H N 0.310 119.395 119.070 0.025 0.000 2.524 211 H HA 0.229 4.811 4.556 0.043 0.000 0.297 211 H C 0.196 175.605 175.328 0.136 0.000 1.115 211 H CA 0.057 56.136 56.048 0.052 0.000 1.027 211 H CB -0.043 29.736 29.762 0.029 0.000 1.591 211 H HN 0.215 8.495 8.280 -0.000 0.000 0.543 212 M N -1.390 118.400 119.600 0.317 0.000 2.618 212 M HA 0.475 4.981 4.480 0.044 0.000 0.281 212 M C -1.261 175.352 176.300 0.520 0.000 1.267 212 M CA -1.082 54.437 55.300 0.366 0.000 0.845 212 M CB 2.183 34.977 32.600 0.323 0.000 1.732 212 M HN -0.285 8.005 8.290 -0.000 0.000 0.461 213 N N 0.099 119.046 118.700 0.412 0.000 2.434 213 N HA 0.769 5.536 4.740 0.044 0.000 0.266 213 N C -0.638 174.902 175.510 0.050 0.000 1.223 213 N CA -0.076 53.115 53.050 0.236 0.000 0.972 213 N CB 1.629 40.092 38.487 -0.041 0.000 1.207 213 N HN 0.883 9.263 8.380 -0.000 0.000 0.525 214 G N -0.452 107.939 108.800 -0.682 0.000 2.524 214 G HA2 0.676 4.662 3.960 0.044 0.000 0.310 214 G HA3 0.676 4.662 3.960 0.044 0.000 0.310 214 G C -1.812 171.920 174.900 -1.947 0.000 1.279 214 G CA -0.268 43.940 45.100 -1.485 0.000 0.974 214 G HN 0.401 8.691 8.290 -0.000 0.000 0.484 215 Y N -0.554 119.128 120.300 -1.029 0.000 2.513 215 Y HA 0.452 5.030 4.550 0.046 0.000 0.340 215 Y C 1.072 176.784 175.900 -0.315 0.000 1.055 215 Y CA -0.415 57.310 58.100 -0.624 0.000 1.020 215 Y CB 2.504 40.683 38.460 -0.468 0.000 1.301 215 Y HN 0.663 8.943 8.280 -0.000 0.000 0.453 216 G N 0.131 108.968 108.800 0.062 0.000 2.572 216 G HA2 0.097 4.083 3.960 0.044 0.000 0.216 216 G HA3 0.097 4.083 3.960 0.044 0.000 0.216 216 G C 0.920 175.900 174.900 0.133 0.000 1.133 216 G CA 0.921 46.159 45.100 0.230 0.000 0.791 216 G HN 0.733 9.023 8.290 -0.000 0.000 0.538 217 S N -0.810 114.842 115.700 -0.080 0.000 1.694 217 S HA -0.258 4.239 4.470 0.044 0.000 0.236 217 S C 0.988 175.401 174.600 -0.312 0.000 0.821 217 S CA 1.457 59.479 58.200 -0.296 0.000 1.530 217 S CB -1.263 61.693 63.200 -0.406 0.000 1.703 217 S HN 0.680 8.990 8.310 -0.000 0.000 0.517 218 H N 1.916 120.897 119.070 -0.149 0.000 2.822 218 H HA 0.266 4.848 4.556 0.044 0.000 0.373 218 H C 0.522 175.630 175.328 -0.365 0.000 1.223 218 H CA 1.012 56.863 56.048 -0.328 0.000 1.436 218 H CB -0.011 29.396 29.762 -0.593 0.000 1.439 218 H HN 0.372 8.652 8.280 -0.000 0.000 0.618 219 T N 2.923 117.332 114.554 -0.241 0.000 2.771 219 T HA 0.296 4.672 4.350 0.044 0.000 0.291 219 T C 0.039 174.619 174.700 -0.200 0.000 0.954 219 T CA -0.165 61.806 62.100 -0.215 0.000 1.045 219 T CB -0.067 68.790 68.868 -0.018 0.000 0.917 219 T HN 0.200 8.440 8.240 -0.000 0.000 0.484 220 F N 1.529 121.534 119.950 0.092 0.000 2.585 220 F HA 0.637 5.190 4.527 0.043 0.000 0.350 220 F C 0.546 176.506 175.800 0.266 0.000 1.074 220 F CA -1.130 56.996 58.000 0.211 0.000 1.032 220 F CB 1.460 40.700 39.000 0.399 0.000 1.330 220 F HN 0.235 8.535 8.300 -0.000 0.000 0.495 221 K N 1.337 122.023 120.400 0.478 0.000 2.324 221 K HA 0.676 5.022 4.320 0.044 0.000 0.253 221 K C -1.863 174.857 176.600 0.200 0.000 0.932 221 K CA -0.462 56.008 56.287 0.305 0.000 0.799 221 K CB 1.312 33.968 32.500 0.260 0.000 1.154 221 K HN 0.567 8.817 8.250 -0.000 0.000 0.425 222 L N 3.606 124.889 121.223 0.099 0.000 2.346 222 L HA 0.616 4.982 4.340 0.044 0.000 0.274 222 L C -0.909 175.980 176.870 0.031 0.000 1.007 222 L CA -1.349 53.541 54.840 0.085 0.000 0.818 222 L CB 2.042 44.154 42.059 0.088 0.000 1.284 222 L HN 0.344 8.574 8.230 -0.000 0.000 0.424 223 V N 1.523 121.460 119.914 0.037 0.000 2.638 223 V HA 0.359 4.506 4.120 0.044 0.000 0.306 223 V C -0.499 175.621 176.094 0.043 0.000 1.052 223 V CA -0.848 61.458 62.300 0.010 0.000 0.885 223 V CB 1.939 33.771 31.823 0.015 0.000 0.999 223 V HN 0.914 9.104 8.190 -0.000 0.000 0.424 224 N N 3.829 122.553 118.700 0.040 0.000 2.478 224 N HA 0.534 5.301 4.740 0.044 0.000 0.275 224 N C 1.094 176.622 175.510 0.030 0.000 1.221 224 N CA -0.140 52.934 53.050 0.040 0.000 0.979 224 N CB 1.248 39.753 38.487 0.030 0.000 1.202 224 N HN 0.572 8.952 8.380 -0.000 0.000 0.564 225 A N 0.487 123.322 122.820 0.024 0.000 1.958 225 A HA -0.264 4.083 4.320 0.044 0.000 0.221 225 A C 1.446 179.040 177.584 0.017 0.000 1.178 225 A CA 1.870 53.919 52.037 0.019 0.000 0.642 225 A CB -1.365 17.643 19.000 0.014 0.000 0.816 225 A HN 0.859 9.009 8.150 -0.000 0.000 0.453 226 N N -1.095 117.613 118.700 0.014 0.000 2.521 226 N HA 0.282 5.049 4.740 0.044 0.000 0.188 226 N C 0.972 176.494 175.510 0.020 0.000 1.146 226 N CA 0.630 53.687 53.050 0.011 0.000 0.893 226 N CB 0.064 38.553 38.487 0.004 0.000 0.975 226 N HN 0.664 9.044 8.380 -0.000 0.000 0.451 227 G N 0.660 109.481 108.800 0.034 0.000 2.136 227 G HA2 -0.293 3.693 3.960 0.044 0.000 0.242 227 G HA3 -0.293 3.693 3.960 0.044 0.000 0.242 227 G C -0.331 174.616 174.900 0.078 0.000 0.989 227 G CA -0.147 44.992 45.100 0.066 0.000 0.682 227 G HN 0.397 8.687 8.290 -0.000 0.000 0.522 228 E N 0.112 120.328 120.200 0.027 0.000 2.266 228 E HA 0.667 5.043 4.350 0.044 0.000 0.277 228 E C 0.380 176.940 176.600 -0.068 0.000 1.018 228 E CA 0.149 56.542 56.400 -0.011 0.000 0.840 228 E CB 1.509 31.208 29.700 -0.002 0.000 1.082 228 E HN 0.716 9.076 8.360 -0.000 0.000 0.395 229 A N 1.898 124.613 122.820 -0.174 0.000 2.413 229 A HA 0.733 5.079 4.320 0.044 0.000 0.307 229 A C -0.755 176.877 177.584 0.081 0.000 1.087 229 A CA -0.690 51.237 52.037 -0.183 0.000 0.750 229 A CB 1.312 19.922 19.000 -0.649 0.000 1.296 229 A HN 0.431 8.581 8.150 -0.000 0.000 0.423 230 V N -1.623 118.316 119.914 0.041 0.000 3.159 230 V HA 0.806 4.952 4.120 0.044 0.000 0.308 230 V C -1.368 174.613 176.094 -0.189 0.000 1.190 230 V CA -1.054 61.232 62.300 -0.023 0.000 1.037 230 V CB 1.254 33.099 31.823 0.037 0.000 1.060 230 V HN 0.772 8.962 8.190 -0.000 0.000 0.437 231 Y N 1.131 121.418 120.300 -0.023 0.000 2.376 231 Y HA 0.842 5.419 4.550 0.044 0.000 0.325 231 Y C 0.636 176.626 175.900 0.151 0.000 1.199 231 Y CA -0.322 57.812 58.100 0.057 0.000 1.206 231 Y CB 1.660 40.162 38.460 0.069 0.000 1.229 231 Y HN 1.260 9.540 8.280 -0.000 0.000 0.480 232 C N 0.810 120.290 119.300 0.300 0.000 3.288 232 C HA 0.781 5.267 4.460 0.044 0.000 0.318 232 C C -1.607 173.179 174.990 -0.340 0.000 1.356 232 C CA -1.300 57.713 59.018 -0.008 0.000 1.359 232 C CB 2.068 29.648 27.740 -0.266 0.000 1.688 232 C HN 0.723 8.953 8.230 -0.000 0.000 0.467 233 K N 1.199 121.309 120.400 -0.484 0.000 2.345 233 K HA 0.595 4.941 4.320 0.044 0.000 0.255 233 K C -1.585 174.819 176.600 -0.327 0.000 0.934 233 K CA -0.106 55.894 56.287 -0.478 0.000 0.801 233 K CB 1.693 33.851 32.500 -0.569 0.000 1.137 233 K HN 0.732 8.982 8.250 -0.000 0.000 0.424 234 F N 2.491 122.413 119.950 -0.046 0.000 2.404 234 F HA 0.319 4.873 4.527 0.045 0.000 0.345 234 F C 0.948 176.597 175.800 -0.252 0.000 1.110 234 F CA -0.166 57.777 58.000 -0.096 0.000 1.130 234 F CB 0.923 39.907 39.000 -0.027 0.000 1.129 234 F HN 0.261 8.561 8.300 -0.000 0.000 0.500 235 H N 3.119 122.129 119.070 -0.099 0.000 2.771 235 H HA 0.285 4.866 4.556 0.042 0.000 0.361 235 H C -1.490 173.782 175.328 -0.093 0.000 1.108 235 H CA -0.817 55.151 56.048 -0.134 0.000 1.201 235 H CB 2.116 31.864 29.762 -0.024 0.000 1.681 235 H HN 0.695 8.975 8.280 -0.000 0.000 0.534 236 Y N 0.711 120.892 120.300 -0.199 0.000 2.594 236 Y HA 0.368 4.946 4.550 0.046 0.000 0.338 236 Y C -0.418 175.626 175.900 0.241 0.000 1.019 236 Y CA -1.306 56.805 58.100 0.018 0.000 1.306 236 Y CB 0.577 39.002 38.460 -0.058 0.000 1.094 236 Y HN 0.120 8.400 8.280 -0.000 0.000 0.534 237 K N 1.725 122.393 120.400 0.446 0.000 2.326 237 K HA 0.140 4.486 4.320 0.044 0.000 0.275 237 K C 0.203 177.069 176.600 0.442 0.000 1.018 237 K CA -0.278 56.245 56.287 0.393 0.000 0.962 237 K CB 1.619 34.328 32.500 0.349 0.000 0.953 237 K HN 0.764 9.014 8.250 -0.000 0.000 0.475 238 T N 1.631 116.355 114.554 0.283 0.000 2.799 238 T HA 0.031 4.408 4.350 0.044 0.000 0.296 238 T C 0.429 175.051 174.700 -0.130 0.000 0.947 238 T CA -0.410 61.607 62.100 -0.138 0.000 1.141 238 T CB 0.100 68.959 68.868 -0.014 0.000 0.891 238 T HN 0.262 8.502 8.240 -0.000 0.000 0.533 239 D N 3.888 124.117 120.400 -0.286 0.000 2.363 239 D HA 0.023 4.689 4.640 0.044 0.000 0.220 239 D C 1.475 177.699 176.300 -0.127 0.000 0.994 239 D CA 0.635 54.555 54.000 -0.133 0.000 0.890 239 D CB 0.391 41.120 40.800 -0.119 0.000 0.906 239 D HN 0.600 8.970 8.370 -0.000 0.000 0.530 240 Q N -0.160 119.521 119.800 -0.197 0.000 2.319 240 Q HA 0.353 4.720 4.340 0.044 0.000 0.202 240 Q C 0.682 176.753 176.000 0.117 0.000 0.896 240 Q CA 0.170 55.919 55.803 -0.091 0.000 0.942 240 Q CB 0.894 29.444 28.738 -0.314 0.000 1.083 240 Q HN 0.163 8.433 8.270 -0.000 0.000 0.510 241 G N 0.689 109.541 108.800 0.087 0.000 2.722 241 G HA2 -0.187 3.800 3.960 0.044 0.000 0.686 241 G HA3 -0.187 3.800 3.960 0.044 0.000 0.686 241 G C -0.674 174.347 174.900 0.201 0.000 1.282 241 G CA -0.952 44.228 45.100 0.133 0.000 0.817 241 G HN 0.080 8.370 8.290 -0.000 0.000 0.605 242 I N 1.439 122.100 120.570 0.152 0.000 2.618 242 I HA 0.339 4.535 4.170 0.044 0.000 0.284 242 I C 0.740 176.903 176.117 0.076 0.000 1.146 242 I CA 0.724 62.117 61.300 0.156 0.000 1.425 242 I CB 1.140 39.230 38.000 0.150 0.000 1.383 242 I HN 0.675 8.885 8.210 -0.000 0.000 0.562 243 K N 6.112 126.548 120.400 0.060 0.000 2.565 243 K HA 0.395 4.742 4.320 0.044 0.000 0.251 243 K C -1.328 175.271 176.600 -0.002 0.000 0.956 243 K CA -0.634 55.610 56.287 -0.071 0.000 0.809 243 K CB 1.688 33.945 32.500 -0.405 0.000 1.267 243 K HN 0.558 8.808 8.250 -0.000 0.000 0.438 244 N N 3.437 122.129 118.700 -0.014 0.000 2.381 244 N HA 0.478 5.245 4.740 0.044 0.000 0.294 244 N C -0.845 174.654 175.510 -0.019 0.000 1.216 244 N CA -0.640 52.411 53.050 0.001 0.000 0.803 244 N CB 1.406 39.892 38.487 -0.003 0.000 1.372 244 N HN 0.395 8.775 8.380 -0.000 0.000 0.500 245 L N 0.822 122.032 121.223 -0.021 0.000 2.343 245 L HA 0.354 4.720 4.340 0.044 0.000 0.275 245 L C 0.973 177.820 176.870 -0.039 0.000 1.056 245 L CA -0.675 54.138 54.840 -0.045 0.000 0.804 245 L CB 1.312 43.324 42.059 -0.079 0.000 1.203 245 L HN 0.636 8.866 8.230 -0.000 0.000 0.440 246 S N 1.042 116.718 115.700 -0.039 0.000 2.603 246 S HA 0.169 4.665 4.470 0.044 0.000 0.268 246 S C 1.136 175.723 174.600 -0.023 0.000 1.317 246 S CA -0.932 57.253 58.200 -0.025 0.000 1.012 246 S CB 1.548 64.735 63.200 -0.021 0.000 0.926 246 S HN 0.341 8.651 8.310 -0.000 0.000 0.539 247 V N 1.828 121.740 119.914 -0.003 0.000 2.324 247 V HA -0.192 3.955 4.120 0.044 0.000 0.250 247 V C 2.521 178.615 176.094 -0.001 0.000 1.060 247 V CA 2.412 64.717 62.300 0.008 0.000 1.042 247 V CB -1.312 30.532 31.823 0.035 0.000 0.650 247 V HN 0.863 9.053 8.190 -0.000 0.000 0.450 248 E N 0.046 120.244 120.200 -0.004 0.000 2.047 248 E HA -0.168 4.208 4.350 0.044 0.000 0.191 248 E C 1.970 178.552 176.600 -0.030 0.000 0.987 248 E CA 1.372 57.767 56.400 -0.009 0.000 0.799 248 E CB -0.446 29.251 29.700 -0.005 0.000 0.752 248 E HN 0.556 8.916 8.360 -0.000 0.000 0.449 249 D N 0.118 120.491 120.400 -0.045 0.000 2.144 249 D HA -0.060 4.606 4.640 0.044 0.000 0.200 249 D C 1.810 178.043 176.300 -0.113 0.000 0.978 249 D CA 1.421 55.374 54.000 -0.078 0.000 0.833 249 D CB -0.338 40.410 40.800 -0.086 0.000 0.961 249 D HN 0.196 8.566 8.370 -0.000 0.000 0.470 250 A N 0.937 123.699 122.820 -0.096 0.000 1.902 250 A HA -0.038 4.309 4.320 0.044 0.000 0.217 250 A C 2.287 179.825 177.584 -0.077 0.000 1.181 250 A CA 2.133 54.108 52.037 -0.105 0.000 0.623 250 A CB -0.664 18.297 19.000 -0.066 0.000 0.818 250 A HN 0.232 8.382 8.150 -0.000 0.000 0.443 251 A N -0.501 122.292 122.820 -0.045 0.000 1.898 251 A HA -0.131 4.216 4.320 0.044 0.000 0.216 251 A C 2.265 179.829 177.584 -0.033 0.000 1.181 251 A CA 1.589 53.611 52.037 -0.025 0.000 0.620 251 A CB -0.505 18.492 19.000 -0.005 0.000 0.819 251 A HN 0.523 8.673 8.150 -0.000 0.000 0.442 252 R N -0.349 120.125 120.500 -0.043 0.000 2.083 252 R HA -0.088 4.279 4.340 0.044 0.000 0.237 252 R C 2.002 178.268 176.300 -0.057 0.000 1.137 252 R CA 1.677 57.752 56.100 -0.042 0.000 0.951 252 R CB -0.417 29.855 30.300 -0.045 0.000 0.851 252 R HN 0.537 8.807 8.270 -0.000 0.000 0.434 253 L N 0.655 121.816 121.223 -0.103 0.000 2.141 253 L HA -0.144 4.222 4.340 0.044 0.000 0.209 253 L C 2.586 179.413 176.870 -0.072 0.000 1.094 253 L CA 1.449 56.208 54.840 -0.135 0.000 0.763 253 L CB -0.457 41.405 42.059 -0.328 0.000 0.908 253 L HN 0.355 8.585 8.230 -0.000 0.000 0.437 254 S N -1.071 114.595 115.700 -0.057 0.000 2.442 254 S HA -0.238 4.259 4.470 0.044 0.000 0.236 254 S C 1.909 176.505 174.600 -0.005 0.000 1.007 254 S CA 1.098 59.286 58.200 -0.020 0.000 0.965 254 S CB -0.162 63.029 63.200 -0.015 0.000 0.773 254 S HN 0.476 8.786 8.310 -0.000 0.000 0.504 255 Q N 1.104 120.897 119.800 -0.011 0.000 2.200 255 Q HA 0.070 4.437 4.340 0.044 0.000 0.197 255 Q C 1.893 177.894 176.000 0.002 0.000 0.953 255 Q CA 1.122 56.923 55.803 -0.002 0.000 0.851 255 Q CB -0.214 28.521 28.738 -0.004 0.000 0.938 255 Q HN 0.770 9.040 8.270 -0.000 0.000 0.488 256 E N 0.477 120.676 120.200 -0.002 0.000 2.072 256 E HA -0.116 4.261 4.350 0.044 0.000 0.191 256 E C -0.053 176.563 176.600 0.026 0.000 0.985 256 E CA 1.017 57.423 56.400 0.009 0.000 0.801 256 E CB 0.242 29.944 29.700 0.005 0.000 0.750 256 E HN 0.109 8.469 8.360 -0.000 0.000 0.452 257 D N -1.272 119.151 120.400 0.038 0.000 2.328 257 D HA 0.136 4.802 4.640 0.044 0.000 0.243 257 D C -2.357 173.993 176.300 0.082 0.000 1.324 257 D CA -2.051 51.992 54.000 0.072 0.000 0.966 257 D CB 1.254 42.133 40.800 0.131 0.000 1.324 257 D HN -0.260 8.110 8.370 -0.000 0.000 0.549 258 P HA 0.023 4.443 4.420 -0.000 0.000 0.225 258 P C -0.066 177.282 177.300 0.081 0.000 1.148 258 P CA 0.757 63.890 63.100 0.055 0.000 0.779 258 P CB 0.347 32.069 31.700 0.035 0.000 0.780 259 D N -2.462 117.990 120.400 0.085 0.000 2.643 259 D HA 0.047 4.714 4.640 0.044 0.000 0.244 259 D C 1.073 177.439 176.300 0.111 0.000 1.257 259 D CA -0.430 53.621 54.000 0.085 0.000 0.831 259 D CB -0.528 40.292 40.800 0.033 0.000 1.043 259 D HN 0.193 8.563 8.370 -0.000 0.000 0.488 260 Y N 1.940 122.244 120.300 0.006 0.000 2.114 260 Y HA -0.270 4.306 4.550 0.043 0.000 0.282 260 Y C 2.343 178.226 175.900 -0.028 0.000 1.165 260 Y CA 2.280 60.375 58.100 -0.009 0.000 1.148 260 Y CB -0.096 38.351 38.460 -0.022 0.000 0.972 260 Y HN 0.117 8.397 8.280 -0.000 0.000 0.504 261 G N 0.263 109.065 108.800 0.004 0.000 2.418 261 G HA2 -0.255 3.731 3.960 0.044 0.000 0.217 261 G HA3 -0.255 3.731 3.960 0.044 0.000 0.217 261 G C 1.641 176.528 174.900 -0.022 0.000 1.158 261 G CA 1.353 46.324 45.100 -0.214 0.000 0.771 261 G HN 0.518 8.808 8.290 -0.000 0.000 0.545 262 I N -0.066 120.573 120.570 0.114 0.000 2.163 262 I HA -0.134 4.062 4.170 0.044 0.000 0.240 262 I C 2.823 179.015 176.117 0.124 0.000 1.081 262 I CA 1.280 62.684 61.300 0.175 0.000 1.353 262 I CB -0.331 37.751 38.000 0.136 0.000 1.054 262 I HN 0.112 8.322 8.210 -0.000 0.000 0.407 263 R N 1.144 121.662 120.500 0.030 0.000 2.094 263 R HA -0.281 4.085 4.340 0.044 0.000 0.239 263 R C 2.028 178.331 176.300 0.004 0.000 1.137 263 R CA 2.636 58.745 56.100 0.014 0.000 0.943 263 R CB -0.459 29.820 30.300 -0.036 0.000 0.850 263 R HN 0.372 8.642 8.270 -0.000 0.000 0.433 264 D N -0.274 120.022 120.400 -0.173 0.000 2.127 264 D HA -0.246 4.421 4.640 0.044 0.000 0.190 264 D C 1.947 178.218 176.300 -0.049 0.000 1.000 264 D CA 1.752 55.622 54.000 -0.217 0.000 0.839 264 D CB -0.134 40.394 40.800 -0.454 0.000 0.955 264 D HN 0.205 8.575 8.370 -0.000 0.000 0.446 265 L N -0.561 120.670 121.223 0.012 0.000 1.989 265 L HA -0.067 4.300 4.340 0.044 0.000 0.211 265 L C 2.074 179.045 176.870 0.169 0.000 1.071 265 L CA 1.734 56.637 54.840 0.105 0.000 0.749 265 L CB -1.100 41.081 42.059 0.204 0.000 0.890 265 L HN 0.237 8.467 8.230 -0.000 0.000 0.431 266 F N 0.567 120.572 119.950 0.092 0.000 2.046 266 F HA -0.288 4.266 4.527 0.044 0.000 0.297 266 F C 2.403 178.262 175.800 0.098 0.000 1.123 266 F CA 2.131 60.200 58.000 0.116 0.000 1.199 266 F CB -0.494 38.574 39.000 0.113 0.000 0.972 266 F HN 0.239 8.539 8.300 -0.000 0.000 0.474 267 N N 0.668 119.571 118.700 0.339 0.000 2.149 267 N HA -0.184 4.583 4.740 0.044 0.000 0.188 267 N C 1.925 177.483 175.510 0.081 0.000 1.019 267 N CA 1.378 54.555 53.050 0.211 0.000 0.857 267 N CB -0.832 37.751 38.487 0.160 0.000 0.997 267 N HN 0.446 8.826 8.380 -0.000 0.000 0.426 268 A N 1.347 124.198 122.820 0.051 0.000 1.858 268 A HA -0.086 4.260 4.320 0.044 0.000 0.216 268 A C 2.364 179.964 177.584 0.027 0.000 1.190 268 A CA 1.034 53.082 52.037 0.018 0.000 0.617 268 A CB -0.735 18.267 19.000 0.004 0.000 0.827 268 A HN 0.210 8.360 8.150 -0.000 0.000 0.443 269 I N -0.237 120.374 120.570 0.068 0.000 2.179 269 I HA -0.289 3.907 4.170 0.044 0.000 0.242 269 I C 2.983 179.163 176.117 0.105 0.000 1.088 269 I CA 1.078 62.483 61.300 0.177 0.000 1.357 269 I CB -0.416 37.642 38.000 0.097 0.000 1.051 269 I HN 0.372 8.582 8.210 -0.000 0.000 0.409 270 A N 0.661 123.442 122.820 -0.066 0.000 1.978 270 A HA -0.233 4.113 4.320 0.044 0.000 0.220 270 A C 2.232 179.826 177.584 0.017 0.000 1.170 270 A CA 2.418 54.424 52.037 -0.053 0.000 0.636 270 A CB -1.100 17.873 19.000 -0.046 0.000 0.810 270 A HN 0.556 8.706 8.150 -0.000 0.000 0.448 271 T N -4.765 109.788 114.554 -0.002 0.000 3.144 271 T HA 0.430 4.807 4.350 0.044 0.000 0.249 271 T C 1.295 175.917 174.700 -0.129 0.000 1.089 271 T CA 0.976 63.057 62.100 -0.032 0.000 0.989 271 T CB 0.179 69.040 68.868 -0.012 0.000 0.992 271 T HN 1.692 9.932 8.240 -0.000 0.000 0.540 272 G N 1.719 110.373 108.800 -0.244 0.000 2.175 272 G HA2 -0.251 3.735 3.960 0.044 0.000 0.244 272 G HA3 -0.251 3.735 3.960 0.044 0.000 0.244 272 G C 0.167 174.604 174.900 -0.773 0.000 0.982 272 G CA -0.071 44.640 45.100 -0.648 0.000 0.641 272 G HN 0.576 8.866 8.290 -0.000 0.000 0.527 273 K N 1.241 121.415 120.400 -0.376 0.000 2.502 273 K HA 0.351 4.697 4.320 0.044 0.000 0.244 273 K C -0.129 176.413 176.600 -0.096 0.000 1.249 273 K CA -0.411 55.743 56.287 -0.222 0.000 1.193 273 K CB -0.248 32.188 32.500 -0.107 0.000 1.674 273 K HN 0.526 8.776 8.250 -0.000 0.000 0.302 274 Y N 2.942 123.239 120.300 -0.005 0.000 2.605 274 Y HA 0.014 4.590 4.550 0.043 0.000 0.336 274 Y C -1.412 174.471 175.900 -0.029 0.000 1.111 274 Y CA -2.218 55.886 58.100 0.007 0.000 1.422 274 Y CB -0.148 38.333 38.460 0.035 0.000 1.193 274 Y HN 0.326 8.606 8.280 -0.000 0.000 0.526 275 P HA 0.119 4.539 4.420 -0.000 0.000 0.278 275 P C -0.810 176.446 177.300 -0.075 0.000 1.238 275 P CA -0.294 62.742 63.100 -0.106 0.000 0.794 275 P CB 1.717 33.333 31.700 -0.140 0.000 0.955 276 S N 1.427 116.947 115.700 -0.299 0.000 2.627 276 S HA 0.721 5.218 4.470 0.044 0.000 0.283 276 S C -1.424 173.050 174.600 -0.211 0.000 1.127 276 S CA -0.783 57.390 58.200 -0.045 0.000 0.863 276 S CB 1.700 64.909 63.200 0.015 0.000 1.121 276 S HN 0.542 8.852 8.310 -0.000 0.000 0.479 277 W N 0.462 121.871 121.300 0.182 0.000 2.915 277 W HA 0.408 5.093 4.660 0.042 0.000 0.337 277 W C -0.988 175.662 176.519 0.218 0.000 1.102 277 W CA -0.695 56.801 57.345 0.251 0.000 1.224 277 W CB 2.509 32.205 29.460 0.394 0.000 1.416 277 W HN 0.600 8.780 8.180 -0.000 0.000 0.503 278 T N 3.095 117.877 114.554 0.380 0.000 2.728 278 T HA 0.219 4.595 4.350 0.044 0.000 0.296 278 T C -0.617 174.178 174.700 0.159 0.000 0.940 278 T CA -0.163 62.035 62.100 0.164 0.000 1.013 278 T CB 0.273 69.145 68.868 0.007 0.000 0.912 278 T HN 0.112 8.352 8.240 -0.000 0.000 0.484 279 F N 4.447 124.424 119.950 0.045 0.000 2.438 279 F HA 0.484 5.039 4.527 0.047 0.000 0.356 279 F C -0.595 175.183 175.800 -0.037 0.000 1.099 279 F CA -0.359 57.750 58.000 0.182 0.000 1.185 279 F CB 0.267 39.520 39.000 0.422 0.000 1.115 279 F HN 0.525 8.825 8.300 -0.000 0.000 0.526 280 Y N 5.068 125.341 120.300 -0.045 0.000 2.665 280 Y HA 0.686 5.265 4.550 0.048 0.000 0.336 280 Y C -0.396 175.454 175.900 -0.083 0.000 1.085 280 Y CA -1.376 56.712 58.100 -0.020 0.000 1.096 280 Y CB 1.713 40.129 38.460 -0.074 0.000 1.301 280 Y HN 0.444 8.724 8.280 -0.000 0.000 0.493 281 I N -1.300 119.353 120.570 0.137 0.000 2.827 281 I HA 0.596 4.792 4.170 0.044 0.000 0.298 281 I C -1.686 174.428 176.117 -0.004 0.000 1.235 281 I CA -1.073 60.228 61.300 0.003 0.000 1.021 281 I CB 2.507 40.436 38.000 -0.118 0.000 1.259 281 I HN 0.494 8.704 8.210 -0.000 0.000 0.427 282 Q N 3.252 123.064 119.800 0.020 0.000 2.282 282 Q HA 0.712 5.078 4.340 0.044 0.000 0.260 282 Q C -1.285 174.826 176.000 0.185 0.000 0.964 282 Q CA -0.965 54.928 55.803 0.150 0.000 0.880 282 Q CB 3.155 32.088 28.738 0.326 0.000 1.286 282 Q HN 0.600 8.870 8.270 -0.000 0.000 0.445 283 V N 3.493 123.488 119.914 0.135 0.000 2.628 283 V HA 0.561 4.707 4.120 0.044 0.000 0.306 283 V C -0.477 175.663 176.094 0.076 0.000 1.045 283 V CA -0.678 61.629 62.300 0.012 0.000 0.905 283 V CB 1.883 33.468 31.823 -0.396 0.000 0.997 283 V HN 0.780 8.970 8.190 -0.000 0.000 0.436 284 M N 4.460 124.035 119.600 -0.041 0.000 2.224 284 M HA 0.448 4.955 4.480 0.044 0.000 0.281 284 M C -0.042 176.216 176.300 -0.070 0.000 1.025 284 M CA -0.331 54.845 55.300 -0.207 0.000 0.954 284 M CB 2.126 34.137 32.600 -0.982 0.000 1.639 284 M HN 0.890 9.180 8.290 -0.000 0.000 0.461 285 T N 0.832 115.392 114.554 0.010 0.000 2.766 285 T HA 0.267 4.643 4.350 0.044 0.000 0.295 285 T C 0.732 175.489 174.700 0.096 0.000 1.024 285 T CA -0.162 61.990 62.100 0.087 0.000 1.018 285 T CB 0.478 69.415 68.868 0.115 0.000 1.002 285 T HN 0.549 8.789 8.240 -0.000 0.000 0.532 286 F N 1.148 121.093 119.950 -0.008 0.000 2.216 286 F HA 0.046 4.600 4.527 0.046 0.000 0.300 286 F C 2.403 178.241 175.800 0.063 0.000 1.085 286 F CA 1.346 59.381 58.000 0.058 0.000 1.326 286 F CB -0.947 38.059 39.000 0.008 0.000 1.027 286 F HN 0.586 8.886 8.300 -0.000 0.000 0.497 287 N N -0.389 118.439 118.700 0.213 0.000 2.188 287 N HA -0.163 4.603 4.740 0.044 0.000 0.184 287 N C 1.701 177.258 175.510 0.078 0.000 1.018 287 N CA 1.139 54.263 53.050 0.124 0.000 0.858 287 N CB -0.204 38.337 38.487 0.089 0.000 0.989 287 N HN 0.359 8.739 8.380 -0.000 0.000 0.426 288 Q N 0.134 119.969 119.800 0.058 0.000 2.079 288 Q HA 0.013 4.379 4.340 0.044 0.000 0.200 288 Q C 2.182 178.170 176.000 -0.020 0.000 0.974 288 Q CA 1.254 57.077 55.803 0.034 0.000 0.840 288 Q CB -0.137 28.633 28.738 0.053 0.000 0.898 288 Q HN 0.418 8.688 8.270 -0.000 0.000 0.430 289 A N 1.159 123.918 122.820 -0.101 0.000 1.978 289 A HA -0.264 4.082 4.320 0.044 0.000 0.220 289 A C 1.883 179.420 177.584 -0.077 0.000 1.170 289 A CA 1.781 53.689 52.037 -0.216 0.000 0.636 289 A CB -0.412 18.455 19.000 -0.221 0.000 0.810 289 A HN 0.343 8.493 8.150 -0.000 0.000 0.448 290 E N -0.323 119.885 120.200 0.013 0.000 2.208 290 E HA -0.110 4.267 4.350 0.044 0.000 0.193 290 E C 1.856 178.471 176.600 0.026 0.000 0.988 290 E CA 1.687 58.110 56.400 0.038 0.000 0.828 290 E CB -0.134 29.607 29.700 0.069 0.000 0.763 290 E HN 0.695 9.055 8.360 -0.000 0.000 0.478 291 T N -2.458 112.116 114.554 0.033 0.000 3.040 291 T HA 0.115 4.491 4.350 0.044 0.000 0.250 291 T C 0.503 175.220 174.700 0.028 0.000 1.058 291 T CA -0.572 61.539 62.100 0.020 0.000 0.988 291 T CB -0.469 68.410 68.868 0.018 0.000 0.993 291 T HN 0.123 8.363 8.240 -0.000 0.000 0.519 292 F N 3.536 123.407 119.950 -0.131 0.000 2.608 292 F HA 0.227 4.787 4.527 0.055 0.000 0.380 292 F C -1.416 174.271 175.800 -0.189 0.000 1.083 292 F CA -2.088 55.819 58.000 -0.156 0.000 1.266 292 F CB 1.019 39.881 39.000 -0.230 0.000 1.076 292 F HN -0.000 8.300 8.300 -0.000 0.000 0.574 293 P HA -0.114 4.306 4.420 -0.000 0.000 0.223 293 P C -0.700 175.974 177.300 -1.042 0.000 1.144 293 P CA 1.443 64.000 63.100 -0.905 0.000 0.783 293 P CB 0.041 31.069 31.700 -1.120 0.000 0.771 294 F N -2.540 117.093 119.950 -0.529 0.000 2.782 294 F HA 0.385 4.924 4.527 0.019 0.000 0.366 294 F C 0.662 176.517 175.800 0.092 0.000 1.171 294 F CA -1.488 56.411 58.000 -0.168 0.000 1.064 294 F CB -0.279 38.650 39.000 -0.119 0.000 1.449 294 F HN -0.473 7.827 8.300 -0.000 0.000 0.520 295 N N 3.000 121.899 118.700 0.332 0.000 2.411 295 N HA 0.224 4.991 4.740 0.044 0.000 0.259 295 N C -1.852 173.738 175.510 0.133 0.000 1.103 295 N CA -2.281 50.862 53.050 0.155 0.000 0.954 295 N CB 0.968 39.529 38.487 0.124 0.000 1.085 295 N HN 0.137 8.517 8.380 -0.000 0.000 0.485 296 P HA -0.056 4.364 4.420 -0.000 0.000 0.226 296 P C 0.120 177.193 177.300 -0.378 0.000 1.153 296 P CA 0.949 63.755 63.100 -0.489 0.000 0.777 296 P CB -0.009 31.076 31.700 -1.025 0.000 0.794 297 F N -0.447 119.491 119.950 -0.021 0.000 2.664 297 F HA 0.242 4.798 4.527 0.049 0.000 0.303 297 F C 0.815 176.605 175.800 -0.017 0.000 1.092 297 F CA -1.243 56.712 58.000 -0.075 0.000 1.305 297 F CB -0.717 38.209 39.000 -0.122 0.000 1.054 297 F HN -0.149 8.151 8.300 -0.000 0.000 0.565 298 D N 1.419 121.897 120.400 0.129 0.000 2.336 298 D HA 0.064 4.730 4.640 0.044 0.000 0.249 298 D C 1.240 177.571 176.300 0.051 0.000 1.213 298 D CA 0.148 54.208 54.000 0.100 0.000 0.870 298 D CB 0.843 41.701 40.800 0.096 0.000 1.076 298 D HN 0.193 8.563 8.370 -0.000 0.000 0.483 299 L N 3.152 124.405 121.223 0.050 0.000 2.450 299 L HA -0.143 4.223 4.340 0.044 0.000 0.224 299 L C 1.780 178.622 176.870 -0.047 0.000 1.149 299 L CA 1.343 56.179 54.840 -0.006 0.000 0.816 299 L CB -0.218 41.867 42.059 0.044 0.000 0.932 299 L HN 0.535 8.765 8.230 -0.000 0.000 0.449 300 T N -4.230 110.312 114.554 -0.020 0.000 3.107 300 T HA 0.085 4.461 4.350 0.044 0.000 0.249 300 T C 0.695 175.405 174.700 0.017 0.000 1.096 300 T CA -0.222 61.858 62.100 -0.034 0.000 1.012 300 T CB 0.196 69.048 68.868 -0.026 0.000 0.977 300 T HN -0.047 8.193 8.240 -0.000 0.000 0.527 301 K N 1.810 122.193 120.400 -0.029 0.000 2.267 301 K HA 0.676 5.022 4.320 0.044 0.000 0.246 301 K C -0.343 176.263 176.600 0.009 0.000 0.954 301 K CA -0.790 55.482 56.287 -0.024 0.000 0.824 301 K CB 2.545 35.029 32.500 -0.026 0.000 1.167 301 K HN 0.183 8.433 8.250 -0.000 0.000 0.431 302 V N -2.135 117.831 119.914 0.086 0.000 2.919 302 V HA 0.594 4.740 4.120 0.044 0.000 0.316 302 V C -1.155 175.145 176.094 0.344 0.000 1.077 302 V CA -1.039 61.298 62.300 0.062 0.000 0.977 302 V CB 1.695 33.514 31.823 -0.007 0.000 1.039 302 V HN 0.561 8.751 8.190 -0.000 0.000 0.441 303 W N 1.919 123.233 121.300 0.023 0.000 2.308 303 W HA 0.575 5.258 4.660 0.038 0.000 0.311 303 W C -2.490 174.146 176.519 0.196 0.000 1.088 303 W CA -2.705 54.675 57.345 0.058 0.000 1.309 303 W CB 0.036 29.367 29.460 -0.214 0.000 1.229 303 W HN 0.422 8.602 8.180 -0.000 0.000 0.427 304 P HA -0.063 4.357 4.420 -0.000 0.000 0.261 304 P C 0.878 178.384 177.300 0.343 0.000 1.183 304 P CA 0.765 64.034 63.100 0.282 0.000 0.761 304 P CB 0.462 32.329 31.700 0.278 0.000 0.785 305 H N 2.399 121.584 119.070 0.191 0.000 2.387 305 H HA -0.157 4.429 4.556 0.050 0.000 0.299 305 H C 1.620 176.990 175.328 0.069 0.000 1.099 305 H CA 1.043 57.159 56.048 0.114 0.000 1.315 305 H CB 0.101 29.886 29.762 0.038 0.000 1.380 305 H HN 0.457 8.737 8.280 -0.000 0.000 0.513 306 K N 0.341 120.847 120.400 0.176 0.000 2.113 306 K HA -0.160 4.187 4.320 0.044 0.000 0.208 306 K C 1.187 177.789 176.600 0.002 0.000 1.047 306 K CA 1.670 58.003 56.287 0.077 0.000 0.928 306 K CB 0.076 32.612 32.500 0.059 0.000 0.716 306 K HN 0.442 8.692 8.250 -0.000 0.000 0.446 307 D N -1.220 119.169 120.400 -0.019 0.000 2.327 307 D HA -0.014 4.653 4.640 0.044 0.000 0.205 307 D C -0.155 175.732 176.300 -0.689 0.000 0.989 307 D CA 0.767 54.581 54.000 -0.311 0.000 0.873 307 D CB 0.418 41.048 40.800 -0.282 0.000 0.955 307 D HN 0.174 8.544 8.370 -0.000 0.000 0.515 308 Y N 0.275 120.639 120.300 0.107 0.000 2.628 308 Y HA 0.317 4.889 4.550 0.038 0.000 0.354 308 Y C -2.490 173.477 175.900 0.111 0.000 1.061 308 Y CA -2.309 55.854 58.100 0.105 0.000 1.251 308 Y CB 1.494 40.058 38.460 0.174 0.000 1.098 308 Y HN -0.232 8.048 8.280 -0.000 0.000 0.626 309 P HA 0.020 4.440 4.420 -0.000 0.000 0.268 309 P C -0.198 177.063 177.300 -0.064 0.000 1.208 309 P CA 0.012 63.112 63.100 -0.001 0.000 0.777 309 P CB 0.927 32.620 31.700 -0.010 0.000 0.875 310 L N 3.417 124.493 121.223 -0.244 0.000 2.361 310 L HA 0.251 4.617 4.340 0.044 0.000 0.278 310 L C 0.372 177.202 176.870 -0.067 0.000 1.113 310 L CA -0.021 54.639 54.840 -0.300 0.000 0.849 310 L CB -0.154 41.468 42.059 -0.729 0.000 1.155 310 L HN 0.256 8.486 8.230 -0.000 0.000 0.452 311 I N 6.252 126.853 120.570 0.051 0.000 2.312 311 I HA 0.266 4.463 4.170 0.044 0.000 0.290 311 I C -1.916 174.303 176.117 0.171 0.000 1.008 311 I CA -2.058 59.302 61.300 0.100 0.000 1.226 311 I CB 1.526 39.576 38.000 0.085 0.000 1.371 311 I HN 0.357 8.566 8.210 -0.000 0.000 0.468 312 P HA 0.033 4.453 4.420 -0.000 0.000 0.268 312 P C 0.159 177.360 177.300 -0.163 0.000 1.204 312 P CA 0.120 63.105 63.100 -0.192 0.000 0.768 312 P CB 2.114 33.500 31.700 -0.523 0.000 0.842 313 V N 1.904 121.835 119.914 0.029 0.000 3.029 313 V HA 0.431 4.577 4.120 0.044 0.000 0.230 313 V C 1.106 177.390 176.094 0.317 0.000 1.254 313 V CA 1.296 63.748 62.300 0.254 0.000 1.276 313 V CB 0.092 32.176 31.823 0.436 0.000 1.080 313 V HN 0.851 9.041 8.190 -0.000 0.000 0.495 314 G N -0.288 108.703 108.800 0.318 0.000 2.500 314 G HA2 0.490 4.477 3.960 0.044 0.000 0.299 314 G HA3 0.490 4.477 3.960 0.044 0.000 0.299 314 G C -1.969 173.000 174.900 0.116 0.000 1.242 314 G CA -0.482 44.676 45.100 0.097 0.000 0.859 314 G HN -0.045 8.245 8.290 -0.000 0.000 0.481 315 K N -0.416 119.937 120.400 -0.078 0.000 2.318 315 K HA 0.693 5.040 4.320 0.044 0.000 0.249 315 K C -1.631 175.025 176.600 0.094 0.000 0.942 315 K CA -0.811 55.512 56.287 0.060 0.000 0.808 315 K CB 2.545 35.048 32.500 0.006 0.000 1.189 315 K HN 0.231 8.481 8.250 -0.000 0.000 0.428 316 L N 2.155 123.527 121.223 0.249 0.000 2.319 316 L HA 0.411 4.777 4.340 0.044 0.000 0.281 316 L C -1.101 175.875 176.870 0.176 0.000 1.005 316 L CA -0.767 54.214 54.840 0.236 0.000 0.828 316 L CB 1.738 43.995 42.059 0.331 0.000 1.227 316 L HN 0.272 8.502 8.230 -0.000 0.000 0.415 317 V N 5.676 125.510 119.914 -0.134 0.000 2.531 317 V HA 0.476 4.622 4.120 0.044 0.000 0.301 317 V C -0.254 175.774 176.094 -0.110 0.000 1.034 317 V CA -0.669 61.521 62.300 -0.183 0.000 0.865 317 V CB 2.059 33.503 31.823 -0.630 0.000 0.995 317 V HN 0.452 8.642 8.190 -0.000 0.000 0.424 318 L N 5.496 126.777 121.223 0.097 0.000 2.276 318 L HA 0.503 4.870 4.340 0.044 0.000 0.286 318 L C 0.428 177.289 176.870 -0.016 0.000 1.024 318 L CA -0.297 54.595 54.840 0.086 0.000 0.826 318 L CB 1.236 43.433 42.059 0.231 0.000 1.211 318 L HN 0.880 9.111 8.230 -0.000 0.000 0.422 319 N N 2.644 121.233 118.700 -0.186 0.000 2.160 319 N HA 0.082 4.848 4.740 0.044 0.000 0.226 319 N C 0.024 175.298 175.510 -0.393 0.000 1.256 319 N CA -0.399 52.236 53.050 -0.691 0.000 0.890 319 N CB 0.671 38.550 38.487 -1.013 0.000 1.116 319 N HN 0.451 8.831 8.380 -0.000 0.000 0.517 320 R N 0.372 120.831 120.500 -0.068 0.000 2.538 320 R HA 0.370 4.736 4.340 0.044 0.000 0.292 320 R C -1.227 175.174 176.300 0.167 0.000 1.008 320 R CA -0.533 55.592 56.100 0.042 0.000 0.896 320 R CB 1.039 31.387 30.300 0.081 0.000 1.187 320 R HN -0.023 8.247 8.270 -0.000 0.000 0.440 321 N N 3.069 121.820 118.700 0.086 0.000 2.463 321 N HA 0.368 5.134 4.740 0.044 0.000 0.270 321 N C -2.450 173.234 175.510 0.290 0.000 1.205 321 N CA -1.514 51.610 53.050 0.122 0.000 0.974 321 N CB 0.989 39.347 38.487 -0.216 0.000 1.197 321 N HN 0.386 8.766 8.380 -0.000 0.000 0.504 322 P HA 0.163 4.583 4.420 -0.000 0.000 0.277 322 P C 0.486 177.963 177.300 0.295 0.000 1.240 322 P CA -0.355 62.977 63.100 0.387 0.000 0.798 322 P CB 0.994 32.951 31.700 0.428 0.000 0.979 323 V N 0.368 120.391 119.914 0.182 0.000 2.949 323 V HA 0.087 4.233 4.120 0.044 0.000 0.245 323 V C 0.755 176.966 176.094 0.195 0.000 1.086 323 V CA 1.079 63.489 62.300 0.183 0.000 1.097 323 V CB -0.474 31.413 31.823 0.107 0.000 0.762 323 V HN 0.641 8.831 8.190 -0.000 0.000 0.470 324 N N -1.014 117.794 118.700 0.181 0.000 2.549 324 N HA 0.128 4.895 4.740 0.044 0.000 0.281 324 N C 0.208 175.868 175.510 0.250 0.000 1.084 324 N CA -0.381 52.790 53.050 0.201 0.000 0.862 324 N CB 1.756 40.339 38.487 0.159 0.000 1.333 324 N HN 0.206 8.586 8.380 -0.000 0.000 0.523 325 Y N 4.334 124.740 120.300 0.176 0.000 2.081 325 Y HA -0.283 4.293 4.550 0.044 0.000 0.280 325 Y C 1.793 177.795 175.900 0.170 0.000 1.163 325 Y CA 2.029 60.236 58.100 0.178 0.000 1.135 325 Y CB -0.185 38.370 38.460 0.159 0.000 0.970 325 Y HN 0.650 8.930 8.280 -0.000 0.000 0.498 326 F N 0.310 120.434 119.950 0.288 0.000 2.069 326 F HA -0.266 4.287 4.527 0.044 0.000 0.298 326 F C 2.346 178.180 175.800 0.057 0.000 1.113 326 F CA 2.008 60.112 58.000 0.174 0.000 1.214 326 F CB -0.811 38.280 39.000 0.151 0.000 0.978 326 F HN 0.107 8.407 8.300 -0.000 0.000 0.474 327 A N -0.242 122.681 122.820 0.172 0.000 1.898 327 A HA -0.175 4.172 4.320 0.044 0.000 0.216 327 A C 2.044 179.595 177.584 -0.054 0.000 1.181 327 A CA 1.947 54.014 52.037 0.050 0.000 0.620 327 A CB -0.716 18.363 19.000 0.132 0.000 0.819 327 A HN 0.597 8.747 8.150 -0.000 0.000 0.442 328 E N -1.245 118.947 120.200 -0.014 0.000 2.276 328 E HA 0.085 4.462 4.350 0.044 0.000 0.193 328 E C 1.543 178.140 176.600 -0.005 0.000 0.983 328 E CA 0.737 57.159 56.400 0.037 0.000 0.861 328 E CB 0.315 30.095 29.700 0.133 0.000 0.817 328 E HN 0.408 8.768 8.360 -0.000 0.000 0.485 329 V N 0.250 120.019 119.914 -0.241 0.000 2.854 329 V HA -0.052 4.095 4.120 0.044 0.000 0.236 329 V C 2.001 177.847 176.094 -0.414 0.000 1.157 329 V CA 0.749 62.795 62.300 -0.422 0.000 1.187 329 V CB 0.135 31.419 31.823 -0.898 0.000 0.949 329 V HN 0.018 8.208 8.190 -0.000 0.000 0.488 330 E N 1.038 120.951 120.200 -0.478 0.000 2.110 330 E HA -0.224 4.152 4.350 0.044 0.000 0.193 330 E C 2.067 178.464 176.600 -0.338 0.000 0.988 330 E CA 1.632 57.857 56.400 -0.291 0.000 0.804 330 E CB -0.149 29.433 29.700 -0.197 0.000 0.745 330 E HN 0.630 8.990 8.360 -0.000 0.000 0.458 331 Q N -0.353 119.182 119.800 -0.442 0.000 2.403 331 Q HA 0.160 4.526 4.340 0.044 0.000 0.203 331 Q C 0.385 176.237 176.000 -0.246 0.000 0.932 331 Q CA -0.285 55.305 55.803 -0.355 0.000 0.945 331 Q CB 0.316 28.824 28.738 -0.383 0.000 1.045 331 Q HN 0.357 8.627 8.270 -0.000 0.000 0.511 332 I N 1.048 121.476 120.570 -0.237 0.000 2.692 332 I HA 0.100 4.297 4.170 0.044 0.000 0.284 332 I C -0.693 175.204 176.117 -0.367 0.000 1.159 332 I CA -0.130 60.993 61.300 -0.296 0.000 1.423 332 I CB 0.620 38.439 38.000 -0.302 0.000 1.380 332 I HN -0.039 8.171 8.210 -0.000 0.000 0.580 333 A N 7.625 130.121 122.820 -0.539 0.000 2.375 333 A HA 0.633 4.979 4.320 0.044 0.000 0.295 333 A C -1.326 175.942 177.584 -0.526 0.000 1.066 333 A CA -0.409 51.234 52.037 -0.656 0.000 0.722 333 A CB 0.521 18.914 19.000 -1.012 0.000 1.206 333 A HN 0.579 8.729 8.150 -0.000 0.000 0.435 334 F N 1.780 121.711 119.950 -0.030 0.000 2.427 334 F HA 0.434 4.988 4.527 0.045 0.000 0.346 334 F C -0.156 175.722 175.800 0.129 0.000 1.120 334 F CA -0.277 57.716 58.000 -0.012 0.000 1.033 334 F CB 1.975 40.908 39.000 -0.111 0.000 1.126 334 F HN 0.434 8.734 8.300 -0.000 0.000 0.462 335 D N 5.363 125.875 120.400 0.186 0.000 2.425 335 D HA 0.228 4.894 4.640 0.044 0.000 0.240 335 D C -2.025 174.245 176.300 -0.050 0.000 1.080 335 D CA -1.548 52.513 54.000 0.103 0.000 0.836 335 D CB 2.081 42.993 40.800 0.187 0.000 1.125 335 D HN 0.177 8.547 8.370 -0.000 0.000 0.525 336 P HA -0.132 4.288 4.420 -0.000 0.000 0.221 336 P C 1.249 178.558 177.300 0.016 0.000 1.145 336 P CA 0.970 63.985 63.100 -0.142 0.000 0.795 336 P CB 0.269 31.801 31.700 -0.280 0.000 0.775 337 S N -2.598 113.112 115.700 0.017 0.000 2.561 337 S HA 0.009 4.505 4.470 0.044 0.000 0.225 337 S C 0.941 175.587 174.600 0.076 0.000 0.977 337 S CA 0.209 58.446 58.200 0.063 0.000 0.926 337 S CB -0.948 62.292 63.200 0.066 0.000 0.769 337 S HN 0.047 8.357 8.310 -0.000 0.000 0.533 338 N N 2.372 121.117 118.700 0.076 0.000 2.807 338 N HA 0.396 5.162 4.740 0.044 0.000 0.259 338 N C -1.039 174.564 175.510 0.155 0.000 1.149 338 N CA 0.408 53.507 53.050 0.082 0.000 1.042 338 N CB 0.093 38.611 38.487 0.052 0.000 1.367 338 N HN 0.519 8.899 8.380 -0.000 0.000 0.516 339 M N 2.375 122.035 119.600 0.099 0.000 2.197 339 M HA 0.396 4.902 4.480 0.044 0.000 0.301 339 M C -2.271 173.979 176.300 -0.083 0.000 0.987 339 M CA -1.646 53.668 55.300 0.024 0.000 0.921 339 M CB 2.863 35.487 32.600 0.041 0.000 1.569 339 M HN 0.094 8.384 8.290 -0.000 0.000 0.431 340 P HA 0.419 4.839 4.420 -0.000 0.000 0.277 340 P C -2.837 174.354 177.300 -0.182 0.000 1.271 340 P CA -1.488 61.500 63.100 -0.187 0.000 0.795 340 P CB -0.532 31.014 31.700 -0.257 0.000 1.101 341 P HA 0.124 4.544 4.420 -0.000 0.000 0.264 341 P C 0.899 178.133 177.300 -0.110 0.000 1.193 341 P CA 1.382 64.432 63.100 -0.083 0.000 0.763 341 P CB -0.171 31.495 31.700 -0.057 0.000 0.810 342 G N 2.550 111.314 108.800 -0.061 0.000 2.278 342 G HA2 -0.170 3.816 3.960 0.044 0.000 0.210 342 G HA3 -0.170 3.816 3.960 0.044 0.000 0.210 342 G C -0.046 174.835 174.900 -0.031 0.000 1.000 342 G CA -0.408 44.671 45.100 -0.035 0.000 0.635 342 G HN 0.482 8.772 8.290 -0.000 0.000 0.495 343 I N 1.360 121.866 120.570 -0.106 0.000 2.447 343 I HA 0.587 4.783 4.170 0.044 0.000 0.287 343 I C -0.271 175.858 176.117 0.019 0.000 1.023 343 I CA -0.634 60.617 61.300 -0.081 0.000 1.083 343 I CB 1.921 39.674 38.000 -0.412 0.000 1.245 343 I HN 0.127 8.337 8.210 -0.000 0.000 0.434 344 E N 3.325 123.618 120.200 0.155 0.000 2.431 344 E HA 0.773 5.149 4.350 0.044 0.000 0.268 344 E C -0.906 175.882 176.600 0.312 0.000 0.953 344 E CA -1.052 55.464 56.400 0.194 0.000 0.810 344 E CB 2.319 32.118 29.700 0.165 0.000 1.369 344 E HN 0.621 8.981 8.360 -0.000 0.000 0.440 345 A N 0.708 123.662 122.820 0.224 0.000 2.286 345 A HA 0.565 4.911 4.320 0.044 0.000 0.286 345 A C -0.027 177.602 177.584 0.076 0.000 1.097 345 A CA -0.310 51.809 52.037 0.137 0.000 0.821 345 A CB 0.727 19.748 19.000 0.035 0.000 1.076 345 A HN 0.514 8.664 8.150 -0.000 0.000 0.490 346 S N 0.292 115.937 115.700 -0.092 0.000 2.747 346 S HA 0.660 5.156 4.470 0.044 0.000 0.300 346 S C -2.330 172.043 174.600 -0.378 0.000 1.121 346 S CA -1.202 56.885 58.200 -0.188 0.000 0.995 346 S CB 1.378 64.409 63.200 -0.282 0.000 1.113 346 S HN 0.486 8.796 8.310 -0.000 0.000 0.547 347 P HA 0.111 4.531 4.420 -0.000 0.000 0.258 347 P C -0.417 176.626 177.300 -0.428 0.000 1.403 347 P CA 0.024 62.800 63.100 -0.540 0.000 0.826 347 P CB -0.640 30.733 31.700 -0.545 0.000 1.414 348 D N 1.378 121.558 120.400 -0.365 0.000 2.389 348 D HA -0.031 4.636 4.640 0.044 0.000 0.263 348 D C 1.144 177.357 176.300 -0.145 0.000 1.255 348 D CA 0.225 54.140 54.000 -0.141 0.000 0.914 348 D CB 0.805 41.533 40.800 -0.120 0.000 1.116 348 D HN 0.008 8.378 8.370 -0.000 0.000 0.502 349 K N 3.475 123.841 120.400 -0.056 0.000 2.127 349 K HA -0.193 4.153 4.320 0.044 0.000 0.208 349 K C 1.950 178.524 176.600 -0.042 0.000 1.047 349 K CA 1.110 57.375 56.287 -0.036 0.000 0.927 349 K CB -0.037 32.478 32.500 0.026 0.000 0.716 349 K HN 0.529 8.779 8.250 -0.000 0.000 0.450 350 M N 0.373 119.962 119.600 -0.018 0.000 2.086 350 M HA -0.126 4.380 4.480 0.044 0.000 0.261 350 M C 2.369 178.564 176.300 -0.174 0.000 1.067 350 M CA 1.189 56.488 55.300 -0.002 0.000 1.116 350 M CB -0.866 31.827 32.600 0.155 0.000 1.348 350 M HN 0.166 8.456 8.290 -0.000 0.000 0.407 351 L N 1.021 121.945 121.223 -0.500 0.000 2.017 351 L HA -0.181 4.185 4.340 0.044 0.000 0.208 351 L C 2.494 179.172 176.870 -0.322 0.000 1.073 351 L CA 1.848 56.228 54.840 -0.766 0.000 0.745 351 L CB -0.903 40.541 42.059 -1.025 0.000 0.894 351 L HN 0.293 8.523 8.230 -0.000 0.000 0.432 352 Q N -0.142 119.521 119.800 -0.229 0.000 2.133 352 Q HA -0.195 4.172 4.340 0.044 0.000 0.208 352 Q C 2.102 178.078 176.000 -0.040 0.000 0.991 352 Q CA 1.852 57.584 55.803 -0.118 0.000 0.867 352 Q CB -0.942 27.730 28.738 -0.109 0.000 0.911 352 Q HN 0.700 8.970 8.270 -0.000 0.000 0.417 353 G N 0.723 109.504 108.800 -0.032 0.000 2.402 353 G HA2 -0.236 3.750 3.960 0.044 0.000 0.216 353 G HA3 -0.236 3.750 3.960 0.044 0.000 0.216 353 G C 1.502 176.457 174.900 0.091 0.000 1.162 353 G CA 0.370 45.496 45.100 0.044 0.000 0.777 353 G HN 0.282 8.572 8.290 -0.000 0.000 0.539 354 R N -0.567 119.947 120.500 0.024 0.000 2.152 354 R HA 0.034 4.400 4.340 0.044 0.000 0.232 354 R C 2.297 178.671 176.300 0.123 0.000 1.117 354 R CA 0.325 56.500 56.100 0.126 0.000 0.981 354 R CB -0.347 29.978 30.300 0.041 0.000 0.870 354 R HN 0.221 8.491 8.270 -0.000 0.000 0.451 355 L N -0.174 121.081 121.223 0.054 0.000 2.079 355 L HA -0.190 4.177 4.340 0.044 0.000 0.210 355 L C 1.968 178.917 176.870 0.131 0.000 1.081 355 L CA 1.686 56.567 54.840 0.069 0.000 0.752 355 L CB -0.696 41.397 42.059 0.057 0.000 0.896 355 L HN 0.116 8.346 8.230 -0.000 0.000 0.433 356 F N -0.312 119.659 119.950 0.035 0.000 2.188 356 F HA 0.087 4.640 4.527 0.043 0.000 0.289 356 F C 2.334 178.156 175.800 0.037 0.000 1.082 356 F CA 0.947 58.967 58.000 0.034 0.000 1.282 356 F CB -0.618 38.388 39.000 0.011 0.000 1.060 356 F HN -0.011 8.289 8.300 -0.000 0.000 0.493 357 A N 0.452 123.137 122.820 -0.224 0.000 1.884 357 A HA -0.284 4.062 4.320 0.044 0.000 0.219 357 A C 2.151 179.466 177.584 -0.450 0.000 1.197 357 A CA 2.337 54.140 52.037 -0.389 0.000 0.637 357 A CB -1.838 17.064 19.000 -0.163 0.000 0.827 357 A HN 0.624 8.774 8.150 -0.000 0.000 0.450 358 Y N -0.072 120.011 120.300 -0.362 0.000 2.114 358 Y HA -0.128 4.448 4.550 0.043 0.000 0.284 358 Y C -0.026 175.538 175.900 -0.560 0.000 1.143 358 Y CA 1.886 59.709 58.100 -0.462 0.000 1.135 358 Y CB -1.536 36.779 38.460 -0.242 0.000 0.980 358 Y HN 0.310 8.590 8.280 -0.000 0.000 0.499 359 P HA -0.148 4.272 4.420 -0.000 0.000 0.217 359 P C 0.865 178.057 177.300 -0.180 0.000 1.150 359 P CA 2.063 65.166 63.100 0.005 0.000 0.832 359 P CB 0.009 31.756 31.700 0.078 0.000 0.787 360 D N -1.507 118.670 120.400 -0.371 0.000 2.084 360 D HA -0.156 4.510 4.640 0.044 0.000 0.194 360 D C 2.010 178.132 176.300 -0.297 0.000 0.990 360 D CA 1.593 55.354 54.000 -0.399 0.000 0.826 360 D CB -0.889 39.426 40.800 -0.809 0.000 0.971 360 D HN -0.049 8.321 8.370 -0.000 0.000 0.453 361 T N -1.907 112.412 114.554 -0.392 0.000 2.962 361 T HA -0.115 4.261 4.350 0.044 0.000 0.270 361 T C 1.491 176.051 174.700 -0.233 0.000 1.088 361 T CA 1.340 63.267 62.100 -0.289 0.000 1.127 361 T CB -0.387 68.264 68.868 -0.361 0.000 0.883 361 T HN 0.345 8.585 8.240 -0.000 0.000 0.493 362 H N -0.150 118.715 119.070 -0.342 0.000 2.428 362 H HA 0.160 4.743 4.556 0.044 0.000 0.296 362 H C 2.586 177.589 175.328 -0.542 0.000 1.062 362 H CA 0.734 56.413 56.048 -0.615 0.000 1.350 362 H CB 0.196 29.195 29.762 -1.272 0.000 1.403 362 H HN 0.231 8.511 8.280 -0.000 0.000 0.533 363 R N -0.269 120.104 120.500 -0.213 0.000 2.189 363 R HA -0.123 4.244 4.340 0.044 0.000 0.223 363 R C 2.068 178.383 176.300 0.025 0.000 1.092 363 R CA 1.105 57.198 56.100 -0.012 0.000 0.989 363 R CB -0.126 30.209 30.300 0.058 0.000 0.876 363 R HN 0.548 8.818 8.270 -0.000 0.000 0.457 364 H N 0.692 119.713 119.070 -0.081 0.000 2.344 364 H HA 0.042 4.624 4.556 0.044 0.000 0.307 364 H C 2.127 177.430 175.328 -0.041 0.000 1.057 364 H CA 1.025 57.043 56.048 -0.050 0.000 1.373 364 H CB 0.242 29.970 29.762 -0.058 0.000 1.421 364 H HN 0.036 8.316 8.280 -0.000 0.000 0.532 365 R N 0.015 120.404 120.500 -0.186 0.000 2.073 365 R HA -0.092 4.274 4.340 0.044 0.000 0.234 365 R C 1.892 178.105 176.300 -0.145 0.000 1.134 365 R CA 1.494 57.473 56.100 -0.201 0.000 0.952 365 R CB 0.176 30.452 30.300 -0.041 0.000 0.850 365 R HN 0.242 8.512 8.270 -0.000 0.000 0.433 366 L N -1.507 119.653 121.223 -0.106 0.000 2.262 366 L HA 0.392 4.758 4.340 0.044 0.000 0.197 366 L C 1.082 177.947 176.870 -0.009 0.000 1.073 366 L CA 1.567 56.376 54.840 -0.053 0.000 0.800 366 L CB -0.653 41.385 42.059 -0.035 0.000 0.987 366 L HN 0.515 8.745 8.230 -0.000 0.000 0.470 367 G N -1.930 106.880 108.800 0.017 0.000 2.353 367 G HA2 0.137 4.123 3.960 0.044 0.000 0.308 367 G HA3 0.137 4.123 3.960 0.044 0.000 0.308 367 G C -2.498 172.477 174.900 0.125 0.000 1.418 367 G CA -0.407 44.721 45.100 0.047 0.000 0.966 367 G HN -0.156 8.134 8.290 -0.000 0.000 0.638 368 P HA -0.086 4.334 4.420 -0.000 0.000 0.215 368 P C 1.049 178.366 177.300 0.028 0.000 1.157 368 P CA 1.197 64.347 63.100 0.084 0.000 0.874 368 P CB 0.151 31.869 31.700 0.031 0.000 0.790 369 N N -0.862 117.782 118.700 -0.093 0.000 2.466 369 N HA 0.016 4.782 4.740 0.044 0.000 0.251 369 N C 0.876 176.214 175.510 -0.286 0.000 1.164 369 N CA -0.091 52.723 53.050 -0.394 0.000 0.888 369 N CB -0.548 37.611 38.487 -0.546 0.000 1.177 369 N HN 0.397 8.777 8.380 -0.000 0.000 0.498 370 Y N -1.128 119.076 120.300 -0.160 0.000 2.483 370 Y HA 0.013 4.590 4.550 0.044 0.000 0.291 370 Y C 1.464 177.304 175.900 -0.099 0.000 1.143 370 Y CA 0.661 58.694 58.100 -0.112 0.000 1.289 370 Y CB -0.382 38.021 38.460 -0.094 0.000 0.983 370 Y HN 0.019 8.300 8.280 -0.000 0.000 0.556 371 L N 0.032 120.856 121.223 -0.666 0.000 2.552 371 L HA -0.039 4.327 4.340 0.044 0.000 0.227 371 L C 1.791 178.630 176.870 -0.053 0.000 1.146 371 L CA 0.653 55.234 54.840 -0.433 0.000 0.858 371 L CB -0.559 41.216 42.059 -0.472 0.000 0.969 371 L HN 0.448 8.678 8.230 -0.000 0.000 0.451 372 H N -0.477 118.510 119.070 -0.138 0.000 2.535 372 H HA 0.145 4.727 4.556 0.044 0.000 0.273 372 H C 0.774 176.072 175.328 -0.049 0.000 0.983 372 H CA -0.482 55.522 56.048 -0.074 0.000 1.238 372 H CB 0.461 30.193 29.762 -0.050 0.000 1.412 372 H HN 0.203 8.483 8.280 -0.000 0.000 0.562 373 I N 2.751 123.363 120.570 0.070 0.000 2.662 373 I HA -0.074 4.122 4.170 0.044 0.000 0.285 373 I C -1.372 174.752 176.117 0.010 0.000 1.161 373 I CA -1.488 59.830 61.300 0.031 0.000 1.415 373 I CB 0.945 38.950 38.000 0.008 0.000 1.385 373 I HN -0.044 8.166 8.210 -0.000 0.000 0.552 374 P HA -0.295 4.125 4.420 -0.000 0.000 0.221 374 P C 1.714 179.001 177.300 -0.021 0.000 1.160 374 P CA 1.305 64.381 63.100 -0.040 0.000 0.933 374 P CB 0.135 31.791 31.700 -0.073 0.000 0.793 375 V N -0.774 119.130 119.914 -0.016 0.000 2.720 375 V HA -0.182 3.964 4.120 0.044 0.000 0.256 375 V C 1.481 177.645 176.094 0.117 0.000 1.082 375 V CA 2.001 64.332 62.300 0.051 0.000 1.101 375 V CB -0.971 30.872 31.823 0.033 0.000 0.693 375 V HN 0.142 8.332 8.190 -0.000 0.000 0.479 376 N N -1.425 117.297 118.700 0.036 0.000 2.325 376 N HA 0.076 4.843 4.740 0.044 0.000 0.182 376 N C 0.524 176.069 175.510 0.058 0.000 1.088 376 N CA 0.283 53.328 53.050 -0.007 0.000 0.879 376 N CB -0.262 38.179 38.487 -0.076 0.000 0.983 376 N HN 0.372 8.752 8.380 -0.000 0.000 0.471 377 C N 3.929 123.297 119.300 0.114 0.000 2.634 377 C HA 0.091 4.577 4.460 0.044 0.000 0.418 377 C C -1.574 173.560 174.990 0.239 0.000 1.373 377 C CA -0.785 58.310 59.018 0.128 0.000 1.756 377 C CB 0.495 28.294 27.740 0.099 0.000 2.589 377 C HN 0.278 8.508 8.230 -0.000 0.000 0.602 378 P HA 0.083 4.503 4.420 -0.000 0.000 0.220 378 P C 0.135 177.461 177.300 0.044 0.000 1.806 378 P CA 0.032 63.196 63.100 0.107 0.000 0.976 378 P CB -0.496 31.216 31.700 0.020 0.000 1.952 379 Y N 0.302 120.621 120.300 0.032 0.000 2.556 379 Y HA -0.044 4.532 4.550 0.044 0.000 0.290 379 Y C 1.379 177.258 175.900 -0.035 0.000 1.149 379 Y CA 0.497 58.569 58.100 -0.046 0.000 1.329 379 Y CB -0.675 37.709 38.460 -0.128 0.000 0.975 379 Y HN -0.049 8.231 8.280 -0.000 0.000 0.561 380 R N 0.985 121.265 120.500 -0.368 0.000 2.466 380 R HA 0.563 4.929 4.340 0.044 0.000 0.279 380 R C -0.254 175.984 176.300 -0.104 0.000 0.976 380 R CA 0.476 56.436 56.100 -0.234 0.000 1.081 380 R CB 0.396 30.502 30.300 -0.323 0.000 1.215 380 R HN 0.382 8.652 8.270 -0.000 0.000 0.546 381 A N 0.880 123.659 122.820 -0.069 0.000 2.556 381 A HA 0.542 4.889 4.320 0.044 0.000 0.294 381 A C -1.093 176.472 177.584 -0.032 0.000 1.091 381 A CA -0.784 51.225 52.037 -0.047 0.000 0.704 381 A CB 1.573 20.544 19.000 -0.049 0.000 1.300 381 A HN 0.201 8.351 8.150 -0.000 0.000 0.406 382 R N 1.372 121.850 120.500 -0.037 0.000 2.215 382 R HA 0.516 4.883 4.340 0.044 0.000 0.337 382 R C -1.388 174.881 176.300 -0.052 0.000 1.010 382 R CA -0.302 55.774 56.100 -0.040 0.000 0.871 382 R CB 0.685 30.960 30.300 -0.041 0.000 1.134 382 R HN 0.492 8.762 8.270 -0.000 0.000 0.477 383 V N 4.138 124.020 119.914 -0.053 0.000 2.415 383 V HA 0.341 4.487 4.120 0.044 0.000 0.267 383 V C 0.124 176.164 176.094 -0.089 0.000 1.042 383 V CA -0.078 62.184 62.300 -0.062 0.000 1.000 383 V CB 0.859 32.653 31.823 -0.048 0.000 1.015 383 V HN 0.843 9.033 8.190 -0.000 0.000 0.478 384 A N 6.499 129.252 122.820 -0.112 0.000 2.385 384 A HA 0.809 5.156 4.320 0.044 0.000 0.290 384 A C -0.168 177.271 177.584 -0.241 0.000 1.094 384 A CA -0.670 51.266 52.037 -0.168 0.000 0.729 384 A CB 0.916 19.825 19.000 -0.152 0.000 1.194 384 A HN 0.911 9.061 8.150 -0.000 0.000 0.442 385 N N 0.013 118.515 118.700 -0.330 0.000 3.588 385 N HA 0.295 5.062 4.740 0.044 0.000 0.340 385 N C -0.996 174.106 175.510 -0.681 0.000 1.609 385 N CA -0.588 52.197 53.050 -0.442 0.000 0.811 385 N CB 0.616 39.011 38.487 -0.154 0.000 2.184 385 N HN 0.285 8.665 8.380 -0.000 0.000 0.577 386 Y N 0.027 120.303 120.300 -0.041 0.000 2.696 386 Y HA 0.321 4.898 4.550 0.044 0.000 0.260 386 Y C 0.026 175.941 175.900 0.026 0.000 1.165 386 Y CA -0.449 57.653 58.100 0.003 0.000 1.189 386 Y CB 0.542 39.017 38.460 0.026 0.000 1.180 386 Y HN 0.165 8.445 8.280 -0.000 0.000 0.538 387 Q N 1.490 121.332 119.800 0.070 0.000 2.261 387 Q HA 0.504 4.870 4.340 0.044 0.000 0.252 387 Q C -0.147 175.887 176.000 0.057 0.000 0.915 387 Q CA -0.420 55.425 55.803 0.070 0.000 0.915 387 Q CB 1.351 30.116 28.738 0.045 0.000 1.204 387 Q HN 0.140 8.410 8.270 -0.000 0.000 0.421 388 R N 1.653 122.194 120.500 0.068 0.000 2.799 388 R HA 0.335 4.702 4.340 0.044 0.000 0.270 388 R C -0.557 175.781 176.300 0.062 0.000 1.010 388 R CA -0.634 55.504 56.100 0.064 0.000 0.916 388 R CB 1.090 31.430 30.300 0.066 0.000 1.228 388 R HN 0.710 8.980 8.270 -0.000 0.000 0.469 389 D N -0.015 120.424 120.400 0.064 0.000 3.254 389 D HA -0.223 4.443 4.640 0.044 0.000 0.216 389 D C 0.483 176.814 176.300 0.051 0.000 1.556 389 D CA 2.154 56.189 54.000 0.058 0.000 1.105 389 D CB -1.041 39.787 40.800 0.046 0.000 0.682 389 D HN 0.904 9.274 8.370 -0.000 0.000 0.810 390 G N -1.142 107.681 108.800 0.038 0.000 2.690 390 G HA2 0.156 4.143 3.960 0.044 0.000 0.686 390 G HA3 0.156 4.143 3.960 0.044 0.000 0.686 390 G C -2.774 172.141 174.900 0.026 0.000 1.277 390 G CA -0.316 44.799 45.100 0.025 0.000 0.799 390 G HN 0.575 8.865 8.290 -0.000 0.000 0.613 391 P HA 0.282 4.702 4.420 -0.000 0.000 0.267 391 P C 0.754 178.070 177.300 0.027 0.000 1.200 391 P CA 0.306 63.420 63.100 0.024 0.000 0.772 391 P CB 0.420 32.133 31.700 0.021 0.000 0.855 392 M N -1.350 118.273 119.600 0.039 0.000 2.249 392 M HA -0.157 4.349 4.480 0.044 0.000 0.198 392 M C 0.047 176.403 176.300 0.093 0.000 0.394 392 M CA 0.109 55.442 55.300 0.055 0.000 0.427 392 M CB -2.847 29.782 32.600 0.048 0.000 1.307 392 M HN 0.485 8.775 8.290 -0.000 0.000 0.924 393 C N 1.552 120.914 119.300 0.104 0.000 2.459 393 C HA 0.337 4.823 4.460 0.044 0.000 0.358 393 C C 1.612 176.683 174.990 0.134 0.000 1.162 393 C CA -0.234 58.893 59.018 0.181 0.000 1.559 393 C CB -0.634 27.182 27.740 0.126 0.000 2.132 393 C HN 0.562 8.792 8.230 -0.000 0.000 0.536 394 M N 4.122 123.826 119.600 0.172 0.000 2.571 394 M HA 0.259 4.765 4.480 0.044 0.000 0.235 394 M C 0.597 176.858 176.300 -0.065 0.000 1.216 394 M CA 0.720 56.047 55.300 0.045 0.000 0.979 394 M CB -0.487 32.150 32.600 0.061 0.000 1.616 394 M HN 0.755 9.045 8.290 -0.000 0.000 0.469 395 Q N -1.211 118.508 119.800 -0.134 0.000 2.892 395 Q HA 0.210 4.576 4.340 0.044 0.000 0.307 395 Q C 0.463 176.400 176.000 -0.105 0.000 1.039 395 Q CA -0.703 54.994 55.803 -0.176 0.000 0.792 395 Q CB 0.868 29.399 28.738 -0.345 0.000 1.504 395 Q HN 0.197 8.467 8.270 -0.000 0.000 0.487 396 D N -0.048 120.294 120.400 -0.096 0.000 2.384 396 D HA -0.229 4.438 4.640 0.044 0.000 0.222 396 D C 0.095 176.365 176.300 -0.049 0.000 0.976 396 D CA 0.766 54.730 54.000 -0.060 0.000 0.915 396 D CB -0.346 40.421 40.800 -0.056 0.000 0.896 396 D HN 0.809 9.179 8.370 -0.000 0.000 0.523 397 N N 0.512 119.173 118.700 -0.065 0.000 2.747 397 N HA -0.319 4.447 4.740 0.044 0.000 0.249 397 N C -0.753 174.738 175.510 -0.032 0.000 1.107 397 N CA 0.707 53.740 53.050 -0.028 0.000 0.707 397 N CB -0.911 37.581 38.487 0.008 0.000 1.054 397 N HN 0.371 8.751 8.380 -0.000 0.000 0.555 398 Q N -2.853 116.913 119.800 -0.057 0.000 2.503 398 Q HA -0.234 4.133 4.340 0.044 0.000 0.267 398 Q C 1.002 176.976 176.000 -0.043 0.000 1.030 398 Q CA 1.048 56.814 55.803 -0.062 0.000 1.041 398 Q CB -1.782 26.907 28.738 -0.080 0.000 1.406 398 Q HN 0.878 9.148 8.270 -0.000 0.000 0.524 399 G N -0.590 108.191 108.800 -0.033 0.000 2.602 399 G HA2 -0.350 3.636 3.960 0.044 0.000 0.306 399 G HA3 -0.350 3.636 3.960 0.044 0.000 0.306 399 G C 0.540 175.434 174.900 -0.010 0.000 1.301 399 G CA 0.256 45.344 45.100 -0.021 0.000 0.974 399 G HN 0.912 9.202 8.290 -0.000 0.000 0.547 400 G N 0.349 109.144 108.800 -0.007 0.000 3.448 400 G HA2 0.637 4.623 3.960 0.044 0.000 0.261 400 G HA3 0.637 4.623 3.960 0.044 0.000 0.261 400 G C 0.660 175.562 174.900 0.004 0.000 1.173 400 G CA 1.206 46.306 45.100 0.001 0.000 0.835 400 G HN 1.724 10.014 8.290 -0.000 0.000 0.534 401 A N 1.083 123.901 122.820 -0.003 0.000 2.511 401 A HA 0.521 4.868 4.320 0.044 0.000 0.242 401 A C -1.911 175.691 177.584 0.030 0.000 1.069 401 A CA -0.845 51.192 52.037 -0.000 0.000 0.763 401 A CB 0.090 19.065 19.000 -0.041 0.000 1.001 401 A HN 0.196 8.346 8.150 -0.000 0.000 0.498 402 P HA -0.047 4.373 4.420 -0.000 0.000 0.260 402 P C 0.244 177.659 177.300 0.191 0.000 1.172 402 P CA 0.605 63.755 63.100 0.084 0.000 0.760 402 P CB 0.175 31.878 31.700 0.004 0.000 0.773 403 N N 2.451 121.329 118.700 0.297 0.000 2.276 403 N HA 0.028 4.794 4.740 0.044 0.000 0.212 403 N C -0.566 175.246 175.510 0.504 0.000 1.127 403 N CA -0.571 52.715 53.050 0.395 0.000 0.834 403 N CB -0.119 38.520 38.487 0.253 0.000 1.014 403 N HN 0.438 8.818 8.380 -0.000 0.000 0.491 404 Y N -2.669 117.771 120.300 0.232 0.000 2.477 404 Y HA 0.610 5.186 4.550 0.044 0.000 0.347 404 Y C -1.758 173.952 175.900 -0.318 0.000 0.981 404 Y CA -1.756 56.317 58.100 -0.046 0.000 1.033 404 Y CB 0.935 39.397 38.460 0.004 0.000 1.245 404 Y HN -0.101 8.179 8.280 -0.000 0.000 0.455 405 Y N 5.305 125.210 120.300 -0.659 0.000 2.376 405 Y HA 0.674 5.251 4.550 0.044 0.000 0.340 405 Y C -2.452 173.318 175.900 -0.218 0.000 0.965 405 Y CA -2.914 54.781 58.100 -0.675 0.000 1.078 405 Y CB 1.730 39.599 38.460 -0.985 0.000 1.193 405 Y HN 0.731 9.011 8.280 -0.000 0.000 0.452 406 P HA 0.389 4.809 4.420 -0.000 0.000 0.278 406 P C -1.808 175.358 177.300 -0.224 0.000 1.258 406 P CA -0.497 62.235 63.100 -0.614 0.000 0.811 406 P CB 1.802 33.176 31.700 -0.543 0.000 1.063 407 N N -2.436 116.147 118.700 -0.195 0.000 2.610 407 N HA 0.309 5.075 4.740 0.044 0.000 0.264 407 N C -0.710 174.797 175.510 -0.006 0.000 1.348 407 N CA -0.903 52.087 53.050 -0.101 0.000 0.819 407 N CB 0.908 39.111 38.487 -0.474 0.000 1.521 407 N HN 0.055 8.435 8.380 -0.000 0.000 0.497 408 S N -0.147 115.558 115.700 0.008 0.000 2.561 408 S HA 0.289 4.786 4.470 0.044 0.000 0.245 408 S C -0.707 173.557 174.600 -0.560 0.000 1.001 408 S CA -0.425 57.607 58.200 -0.280 0.000 1.002 408 S CB -0.805 62.158 63.200 -0.395 0.000 0.805 408 S HN 0.520 8.830 8.310 -0.000 0.000 0.458 409 F N 0.995 120.946 119.950 0.002 0.000 2.791 409 F HA 0.393 4.946 4.527 0.044 0.000 0.308 409 F C 1.491 177.300 175.800 0.016 0.000 1.138 409 F CA -0.560 57.449 58.000 0.016 0.000 1.294 409 F CB 0.294 39.312 39.000 0.030 0.000 0.975 409 F HN 0.277 8.577 8.300 -0.000 0.000 0.512 410 G N 0.643 109.502 108.800 0.098 0.000 2.155 410 G HA2 -0.194 3.792 3.960 0.044 0.000 0.257 410 G HA3 -0.194 3.792 3.960 0.044 0.000 0.257 410 G C 0.558 175.514 174.900 0.094 0.000 0.983 410 G CA 0.040 45.189 45.100 0.082 0.000 0.676 410 G HN 0.712 9.002 8.290 -0.000 0.000 0.528 411 A N 0.170 123.071 122.820 0.135 0.000 2.327 411 A HA 0.692 5.038 4.320 0.044 0.000 0.255 411 A C -0.978 176.679 177.584 0.121 0.000 1.099 411 A CA -0.505 51.605 52.037 0.122 0.000 0.801 411 A CB -0.045 19.098 19.000 0.238 0.000 1.062 411 A HN 0.241 8.391 8.150 -0.000 0.000 0.496 412 P HA 0.068 4.488 4.420 -0.000 0.000 0.266 412 P C -0.470 176.850 177.300 0.033 0.000 1.186 412 P CA 0.620 63.684 63.100 -0.061 0.000 0.767 412 P CB 0.343 31.890 31.700 -0.257 0.000 0.820 413 E N 1.485 121.699 120.200 0.024 0.000 2.288 413 E HA 0.139 4.515 4.350 0.044 0.000 0.268 413 E C -0.175 176.442 176.600 0.028 0.000 0.885 413 E CA -0.709 55.755 56.400 0.107 0.000 0.767 413 E CB 1.574 31.372 29.700 0.164 0.000 1.220 413 E HN 0.469 8.829 8.360 -0.000 0.000 0.427 414 Q N 0.951 120.802 119.800 0.085 0.000 2.432 414 Q HA 0.066 4.433 4.340 0.044 0.000 0.264 414 Q C -0.195 175.840 176.000 0.058 0.000 1.035 414 Q CA 0.064 55.901 55.803 0.057 0.000 0.908 414 Q CB 0.914 29.730 28.738 0.131 0.000 1.280 414 Q HN 0.341 8.611 8.270 -0.000 0.000 0.455 415 Q N 2.513 122.332 119.800 0.031 0.000 2.456 415 Q HA 0.204 4.570 4.340 0.044 0.000 0.252 415 Q C -2.117 173.899 176.000 0.026 0.000 1.042 415 Q CA -2.113 53.705 55.803 0.025 0.000 0.766 415 Q CB 1.229 29.971 28.738 0.007 0.000 1.196 415 Q HN 0.498 8.768 8.270 -0.000 0.000 0.504 416 P HA -0.274 4.146 4.420 -0.000 0.000 0.218 416 P C 1.212 178.525 177.300 0.022 0.000 1.152 416 P CA 1.947 65.064 63.100 0.029 0.000 0.857 416 P CB 0.221 31.936 31.700 0.027 0.000 0.787 417 S N -0.868 114.841 115.700 0.016 0.000 2.442 417 S HA -0.097 4.400 4.470 0.044 0.000 0.236 417 S C 1.878 176.486 174.600 0.013 0.000 1.007 417 S CA 1.047 59.255 58.200 0.013 0.000 0.965 417 S CB -1.156 62.049 63.200 0.008 0.000 0.773 417 S HN 0.163 8.473 8.310 -0.000 0.000 0.504 418 A N 0.507 123.334 122.820 0.012 0.000 2.259 418 A HA 0.469 4.815 4.320 0.044 0.000 0.208 418 A C 0.658 178.255 177.584 0.021 0.000 1.201 418 A CA -0.357 51.685 52.037 0.009 0.000 0.824 418 A CB -0.466 18.534 19.000 0.001 0.000 0.838 418 A HN 0.506 8.656 8.150 -0.000 0.000 0.485 419 L N 1.091 122.331 121.223 0.027 0.000 2.490 419 L HA 0.220 4.587 4.340 0.044 0.000 0.274 419 L C 0.157 177.055 176.870 0.047 0.000 1.201 419 L CA 0.024 54.885 54.840 0.034 0.000 0.869 419 L CB 0.225 42.301 42.059 0.029 0.000 1.123 419 L HN 0.370 8.600 8.230 -0.000 0.000 0.484 420 E N 2.023 122.256 120.200 0.056 0.000 2.409 420 E HA 0.106 4.482 4.350 0.044 0.000 0.257 420 E C -0.776 175.886 176.600 0.103 0.000 1.150 420 E CA 0.080 56.532 56.400 0.086 0.000 0.942 420 E CB 0.140 29.894 29.700 0.090 0.000 0.979 420 E HN 0.605 8.965 8.360 -0.000 0.000 0.447 421 H N 0.043 119.142 119.070 0.049 0.000 2.646 421 H HA 0.279 4.862 4.556 0.044 0.000 0.325 421 H C -0.789 174.571 175.328 0.053 0.000 1.075 421 H CA -0.382 55.690 56.048 0.040 0.000 1.421 421 H CB 0.530 30.322 29.762 0.050 0.000 1.461 421 H HN 0.370 8.650 8.280 -0.000 0.000 0.525 422 S N 5.747 121.172 115.700 -0.458 0.000 2.451 422 S HA 0.553 5.049 4.470 0.044 0.000 0.301 422 S C -0.388 174.002 174.600 -0.351 0.000 1.116 422 S CA -0.878 57.162 58.200 -0.266 0.000 1.093 422 S CB 0.815 63.927 63.200 -0.147 0.000 1.017 422 S HN 0.579 8.889 8.310 -0.000 0.000 0.482 423 I N 1.802 122.306 120.570 -0.111 0.000 2.846 423 I HA 0.446 4.643 4.170 0.044 0.000 0.307 423 I C -0.314 175.712 176.117 -0.152 0.000 1.053 423 I CA -0.896 60.303 61.300 -0.169 0.000 1.050 423 I CB 2.100 39.968 38.000 -0.220 0.000 1.239 423 I HN 0.513 8.723 8.210 -0.000 0.000 0.439 424 Q N 3.705 123.380 119.800 -0.208 0.000 2.347 424 Q HA 0.399 4.766 4.340 0.044 0.000 0.262 424 Q C -1.874 174.039 176.000 -0.144 0.000 0.980 424 Q CA -0.472 55.281 55.803 -0.083 0.000 0.867 424 Q CB 1.334 30.043 28.738 -0.048 0.000 1.242 424 Q HN 0.461 8.731 8.270 -0.000 0.000 0.453 425 Y N 0.375 120.705 120.300 0.050 0.000 2.420 425 Y HA 0.463 5.038 4.550 0.043 0.000 0.334 425 Y C 0.444 176.368 175.900 0.040 0.000 1.094 425 Y CA -0.469 57.662 58.100 0.051 0.000 1.126 425 Y CB 2.091 40.576 38.460 0.041 0.000 1.217 425 Y HN 0.405 8.685 8.280 -0.000 0.000 0.462 426 S N 0.538 116.355 115.700 0.195 0.000 2.566 426 S HA 0.875 5.371 4.470 0.044 0.000 0.298 426 S C -0.271 174.390 174.600 0.101 0.000 1.083 426 S CA -0.339 57.935 58.200 0.123 0.000 0.978 426 S CB 1.851 65.100 63.200 0.083 0.000 1.073 426 S HN 1.136 9.446 8.310 -0.000 0.000 0.491 427 G N 1.380 110.243 108.800 0.105 0.000 2.392 427 G HA2 0.051 4.037 3.960 0.044 0.000 0.677 427 G HA3 0.051 4.037 3.960 0.044 0.000 0.677 427 G C -1.484 173.535 174.900 0.198 0.000 1.334 427 G CA -1.054 44.126 45.100 0.134 0.000 0.961 427 G HN 0.616 8.906 8.290 -0.000 0.000 0.616 428 E N -1.282 119.093 120.200 0.292 0.000 2.371 428 E HA 0.407 4.784 4.350 0.044 0.000 0.257 428 E C -0.042 176.724 176.600 0.276 0.000 1.134 428 E CA -0.566 55.967 56.400 0.221 0.000 0.919 428 E CB 1.779 31.564 29.700 0.142 0.000 1.025 428 E HN 0.311 8.671 8.360 -0.000 0.000 0.438 429 V N 3.341 123.335 119.914 0.134 0.000 2.322 429 V HA 0.220 4.366 4.120 0.044 0.000 0.258 429 V C 0.211 176.308 176.094 0.004 0.000 1.074 429 V CA 0.276 62.640 62.300 0.107 0.000 0.909 429 V CB -0.779 31.078 31.823 0.056 0.000 1.090 429 V HN 0.624 8.814 8.190 -0.000 0.000 0.486 430 R N 3.895 124.351 120.500 -0.073 0.000 3.014 430 R HA 0.626 4.992 4.340 0.044 0.000 0.262 430 R C -1.059 175.043 176.300 -0.330 0.000 1.066 430 R CA -1.266 54.672 56.100 -0.270 0.000 0.939 430 R CB 1.559 31.599 30.300 -0.433 0.000 1.372 430 R HN 0.268 8.538 8.270 -0.000 0.000 0.431 431 R N 0.650 120.949 120.500 -0.334 0.000 2.198 431 R HA 0.334 4.700 4.340 0.044 0.000 0.339 431 R C -1.152 174.968 176.300 -0.300 0.000 1.020 431 R CA -0.281 55.708 56.100 -0.186 0.000 0.864 431 R CB 0.523 30.768 30.300 -0.092 0.000 1.105 431 R HN 0.257 8.527 8.270 -0.000 0.000 0.463 432 F N 1.758 121.720 119.950 0.020 0.000 2.405 432 F HA 0.181 4.734 4.527 0.044 0.000 0.355 432 F C 0.861 176.680 175.800 0.032 0.000 1.121 432 F CA -0.951 57.066 58.000 0.028 0.000 1.112 432 F CB 0.879 39.900 39.000 0.035 0.000 1.126 432 F HN 0.388 8.688 8.300 -0.000 0.000 0.481 433 N N 1.464 120.264 118.700 0.166 0.000 2.468 433 N HA 0.052 4.818 4.740 0.044 0.000 0.265 433 N C 0.600 176.184 175.510 0.124 0.000 1.199 433 N CA 0.221 53.339 53.050 0.113 0.000 0.928 433 N CB 0.745 39.274 38.487 0.071 0.000 1.059 433 N HN 0.709 9.089 8.380 -0.000 0.000 0.467 434 T N -0.055 114.561 114.554 0.104 0.000 3.132 434 T HA 0.341 4.718 4.350 0.044 0.000 0.274 434 T C 1.345 176.083 174.700 0.064 0.000 1.011 434 T CA 0.066 62.221 62.100 0.091 0.000 0.899 434 T CB 0.106 69.033 68.868 0.099 0.000 1.089 434 T HN 0.341 8.581 8.240 -0.000 0.000 0.543 435 A N 2.827 125.678 122.820 0.052 0.000 1.972 435 A HA -0.045 4.302 4.320 0.044 0.000 0.219 435 A C 2.091 179.687 177.584 0.020 0.000 1.169 435 A CA 1.131 53.185 52.037 0.028 0.000 0.635 435 A CB -0.483 18.528 19.000 0.019 0.000 0.810 435 A HN 0.512 8.662 8.150 -0.000 0.000 0.446 436 N N 0.745 119.464 118.700 0.031 0.000 2.322 436 N HA 0.043 4.809 4.740 0.044 0.000 0.194 436 N C -0.717 174.814 175.510 0.035 0.000 1.126 436 N CA 0.087 53.153 53.050 0.027 0.000 0.845 436 N CB -0.094 38.410 38.487 0.028 0.000 0.976 436 N HN 0.403 8.783 8.380 -0.000 0.000 0.475 437 D N 1.080 121.507 120.400 0.044 0.000 2.362 437 D HA -0.059 4.608 4.640 0.044 0.000 0.238 437 D C 0.355 176.682 176.300 0.045 0.000 1.212 437 D CA 0.170 54.205 54.000 0.059 0.000 0.902 437 D CB 0.607 41.448 40.800 0.068 0.000 1.180 437 D HN 0.024 8.394 8.370 -0.000 0.000 0.445 438 D N 0.701 121.147 120.400 0.077 0.000 2.570 438 D HA -0.102 4.565 4.640 0.044 0.000 0.243 438 D C 0.097 176.378 176.300 -0.031 0.000 1.171 438 D CA 0.327 54.362 54.000 0.060 0.000 0.879 438 D CB 0.364 41.279 40.800 0.191 0.000 1.143 438 D HN 0.192 8.562 8.370 -0.000 0.000 0.511 439 N N 2.709 121.386 118.700 -0.037 0.000 2.197 439 N HA -0.012 4.754 4.740 0.044 0.000 0.201 439 N C 1.239 176.700 175.510 -0.081 0.000 1.148 439 N CA 0.269 53.277 53.050 -0.070 0.000 0.883 439 N CB 0.987 39.441 38.487 -0.055 0.000 1.012 439 N HN 0.436 8.816 8.380 -0.000 0.000 0.507 440 V N -3.521 116.359 119.914 -0.058 0.000 3.359 440 V HA 0.185 4.331 4.120 0.044 0.000 0.245 440 V C 1.942 178.018 176.094 -0.030 0.000 1.247 440 V CA 0.513 62.794 62.300 -0.031 0.000 1.145 440 V CB -0.393 31.433 31.823 0.004 0.000 0.906 440 V HN -0.117 8.073 8.190 -0.000 0.000 0.464 441 T N 1.121 115.663 114.554 -0.020 0.000 2.565 441 T HA -0.323 4.053 4.350 0.044 0.000 0.265 441 T C 1.945 176.620 174.700 -0.042 0.000 1.082 441 T CA 2.890 65.003 62.100 0.022 0.000 1.173 441 T CB -0.538 68.422 68.868 0.153 0.000 0.864 441 T HN 0.599 8.839 8.240 -0.000 0.000 0.425 442 Q N 0.155 119.819 119.800 -0.227 0.000 2.226 442 Q HA -0.073 4.293 4.340 0.044 0.000 0.204 442 Q C 2.586 178.408 176.000 -0.296 0.000 0.975 442 Q CA 1.060 56.674 55.803 -0.315 0.000 0.866 442 Q CB -0.361 28.015 28.738 -0.603 0.000 0.915 442 Q HN 0.426 8.696 8.270 -0.000 0.000 0.440 443 V N 0.586 120.325 119.914 -0.292 0.000 2.427 443 V HA -0.249 3.897 4.120 0.044 0.000 0.248 443 V C 2.285 178.523 176.094 0.239 0.000 1.051 443 V CA 1.859 64.170 62.300 0.018 0.000 1.048 443 V CB -0.639 31.238 31.823 0.090 0.000 0.666 443 V HN 0.307 8.497 8.190 -0.000 0.000 0.456 444 R N 0.699 121.299 120.500 0.167 0.000 2.073 444 R HA -0.166 4.200 4.340 0.044 0.000 0.234 444 R C 2.323 178.752 176.300 0.215 0.000 1.134 444 R CA 1.751 57.989 56.100 0.229 0.000 0.952 444 R CB -0.507 29.906 30.300 0.189 0.000 0.850 444 R HN 0.463 8.733 8.270 -0.000 0.000 0.433 445 A N 0.369 123.283 122.820 0.156 0.000 1.933 445 A HA -0.195 4.151 4.320 0.044 0.000 0.218 445 A C 1.967 179.647 177.584 0.160 0.000 1.175 445 A CA 1.339 53.456 52.037 0.133 0.000 0.628 445 A CB -0.769 18.297 19.000 0.110 0.000 0.814 445 A HN 0.563 8.713 8.150 -0.000 0.000 0.444 446 F N -0.923 119.078 119.950 0.085 0.000 2.084 446 F HA -0.168 4.380 4.527 0.035 0.000 0.296 446 F C 2.123 177.971 175.800 0.079 0.000 1.111 446 F CA 1.770 59.838 58.000 0.115 0.000 1.224 446 F CB -0.745 38.381 39.000 0.210 0.000 0.991 446 F HN 0.356 8.656 8.300 -0.000 0.000 0.471 447 Y N 0.173 120.391 120.300 -0.137 0.000 2.181 447 Y HA -0.209 4.359 4.550 0.030 0.000 0.288 447 Y C 2.138 177.833 175.900 -0.341 0.000 1.146 447 Y CA 2.288 60.168 58.100 -0.366 0.000 1.164 447 Y CB -0.414 37.854 38.460 -0.319 0.000 0.982 447 Y HN -0.034 8.246 8.280 -0.000 0.000 0.515 448 V N 0.264 120.088 119.914 -0.150 0.000 2.379 448 V HA -0.217 3.930 4.120 0.044 0.000 0.243 448 V C 1.410 177.394 176.094 -0.184 0.000 1.035 448 V CA 2.268 64.454 62.300 -0.189 0.000 1.035 448 V CB -0.580 31.242 31.823 -0.002 0.000 0.673 448 V HN 0.425 8.615 8.190 -0.000 0.000 0.457 449 N N 0.115 118.749 118.700 -0.111 0.000 2.333 449 N HA -0.047 4.720 4.740 0.044 0.000 0.183 449 N C 1.616 177.058 175.510 -0.114 0.000 1.030 449 N CA 0.867 53.867 53.050 -0.083 0.000 0.867 449 N CB -0.126 38.354 38.487 -0.012 0.000 1.027 449 N HN 0.203 8.583 8.380 -0.000 0.000 0.435 450 V N 1.686 121.523 119.914 -0.128 0.000 2.594 450 V HA -0.056 4.091 4.120 0.044 0.000 0.253 450 V C 0.814 176.755 176.094 -0.255 0.000 1.069 450 V CA 1.113 63.340 62.300 -0.123 0.000 1.082 450 V CB -0.652 31.182 31.823 0.019 0.000 0.680 450 V HN 0.205 8.395 8.190 -0.000 0.000 0.469 451 L N 0.570 121.543 121.223 -0.416 0.000 2.322 451 L HA 0.486 4.852 4.340 0.044 0.000 0.269 451 L C -0.126 176.547 176.870 -0.328 0.000 1.012 451 L CA -0.703 53.889 54.840 -0.413 0.000 0.815 451 L CB 1.736 43.428 42.059 -0.612 0.000 1.295 451 L HN 0.296 8.526 8.230 -0.000 0.000 0.438 452 N N -1.135 117.410 118.700 -0.259 0.000 2.563 452 N HA 0.149 4.915 4.740 0.044 0.000 0.288 452 N C 0.379 175.751 175.510 -0.229 0.000 1.246 452 N CA -0.805 52.120 53.050 -0.209 0.000 0.946 452 N CB 0.575 38.983 38.487 -0.132 0.000 1.213 452 N HN 0.628 9.008 8.380 -0.000 0.000 0.578 453 E N -0.449 119.646 120.200 -0.174 0.000 2.070 453 E HA -0.322 4.054 4.350 0.044 0.000 0.197 453 E C 1.217 177.750 176.600 -0.112 0.000 1.004 453 E CA 1.422 57.733 56.400 -0.148 0.000 0.805 453 E CB -0.031 29.609 29.700 -0.100 0.000 0.744 453 E HN 0.765 9.125 8.360 -0.000 0.000 0.451 454 E N 0.051 120.197 120.200 -0.090 0.000 2.077 454 E HA -0.264 4.113 4.350 0.044 0.000 0.193 454 E C 2.114 178.671 176.600 -0.071 0.000 0.989 454 E CA 1.425 57.788 56.400 -0.061 0.000 0.800 454 E CB 0.016 29.684 29.700 -0.052 0.000 0.746 454 E HN 0.363 8.723 8.360 -0.000 0.000 0.452 455 Q N -0.184 119.549 119.800 -0.111 0.000 2.167 455 Q HA -0.082 4.285 4.340 0.044 0.000 0.202 455 Q C 2.240 178.152 176.000 -0.147 0.000 0.970 455 Q CA 1.083 56.812 55.803 -0.122 0.000 0.855 455 Q CB 0.003 28.646 28.738 -0.158 0.000 0.911 455 Q HN 0.188 8.458 8.270 -0.000 0.000 0.438 456 R N 0.539 120.906 120.500 -0.220 0.000 2.148 456 R HA -0.091 4.276 4.340 0.044 0.000 0.227 456 R C 2.105 178.372 176.300 -0.054 0.000 1.103 456 R CA 0.966 56.918 56.100 -0.247 0.000 0.983 456 R CB -0.052 29.975 30.300 -0.456 0.000 0.874 456 R HN 0.111 8.381 8.270 -0.000 0.000 0.451 457 K N 1.043 121.440 120.400 -0.004 0.000 2.007 457 K HA -0.095 4.251 4.320 0.044 0.000 0.206 457 K C 2.058 178.641 176.600 -0.027 0.000 1.047 457 K CA 1.092 57.423 56.287 0.073 0.000 0.937 457 K CB 0.121 32.682 32.500 0.102 0.000 0.718 457 K HN 0.031 8.281 8.250 -0.000 0.000 0.438 458 R N 0.529 121.021 120.500 -0.014 0.000 2.081 458 R HA -0.142 4.224 4.340 0.044 0.000 0.235 458 R C 2.413 178.725 176.300 0.020 0.000 1.131 458 R CA 1.234 57.336 56.100 0.004 0.000 0.960 458 R CB -0.519 29.786 30.300 0.008 0.000 0.856 458 R HN 0.204 8.474 8.270 -0.000 0.000 0.436 459 L N 0.903 122.137 121.223 0.017 0.000 1.971 459 L HA -0.251 4.116 4.340 0.044 0.000 0.215 459 L C 2.180 179.070 176.870 0.033 0.000 1.072 459 L CA 1.828 56.716 54.840 0.079 0.000 0.758 459 L CB -0.853 41.250 42.059 0.074 0.000 0.889 459 L HN 0.178 8.408 8.230 -0.000 0.000 0.433 460 C N -0.089 119.170 119.300 -0.068 0.000 2.413 460 C HA -0.156 4.331 4.460 0.044 0.000 0.277 460 C C 2.571 177.450 174.990 -0.184 0.000 1.265 460 C CA 1.126 60.021 59.018 -0.205 0.000 1.752 460 C CB -1.151 26.280 27.740 -0.516 0.000 1.998 460 C HN 0.630 8.860 8.230 -0.000 0.000 0.489 461 E N 0.812 120.942 120.200 -0.116 0.000 2.072 461 E HA -0.147 4.229 4.350 0.044 0.000 0.191 461 E C 1.883 178.525 176.600 0.069 0.000 0.985 461 E CA 0.975 57.372 56.400 -0.004 0.000 0.801 461 E CB -0.187 29.526 29.700 0.022 0.000 0.750 461 E HN 0.610 8.970 8.360 -0.000 0.000 0.452 462 N N 0.974 119.738 118.700 0.107 0.000 2.084 462 N HA -0.139 4.628 4.740 0.044 0.000 0.190 462 N C 1.952 177.590 175.510 0.214 0.000 1.030 462 N CA 1.028 54.227 53.050 0.249 0.000 0.849 462 N CB -0.255 38.463 38.487 0.384 0.000 1.012 462 N HN 0.182 8.562 8.380 -0.000 0.000 0.423 463 I N 1.093 121.611 120.570 -0.087 0.000 2.142 463 I HA -0.230 3.967 4.170 0.044 0.000 0.240 463 I C 2.325 178.258 176.117 -0.306 0.000 1.078 463 I CA 1.200 62.190 61.300 -0.517 0.000 1.343 463 I CB -0.432 37.191 38.000 -0.628 0.000 1.046 463 I HN 0.062 8.272 8.210 -0.000 0.000 0.405 464 A N 1.004 123.694 122.820 -0.216 0.000 1.972 464 A HA -0.118 4.228 4.320 0.044 0.000 0.219 464 A C 2.404 179.859 177.584 -0.215 0.000 1.169 464 A CA 1.802 53.741 52.037 -0.164 0.000 0.635 464 A CB -1.386 17.623 19.000 0.015 0.000 0.810 464 A HN 0.496 8.646 8.150 -0.000 0.000 0.446 465 G N -2.017 106.724 108.800 -0.098 0.000 2.448 465 G HA2 -0.246 3.741 3.960 0.044 0.000 0.219 465 G HA3 -0.246 3.741 3.960 0.044 0.000 0.219 465 G C 1.565 176.383 174.900 -0.138 0.000 1.127 465 G CA 1.223 46.205 45.100 -0.197 0.000 0.766 465 G HN 0.725 9.015 8.290 -0.000 0.000 0.552 466 H N -0.513 118.524 119.070 -0.055 0.000 2.406 466 H HA 0.136 4.718 4.556 0.044 0.000 0.304 466 H C 2.325 177.652 175.328 -0.002 0.000 1.042 466 H CA 0.555 56.661 56.048 0.097 0.000 1.360 466 H CB 0.112 30.136 29.762 0.436 0.000 1.448 466 H HN 0.203 8.483 8.280 -0.000 0.000 0.553 467 L N 2.872 124.005 121.223 -0.150 0.000 2.191 467 L HA -0.145 4.221 4.340 0.044 0.000 0.212 467 L C 2.433 179.060 176.870 -0.405 0.000 1.103 467 L CA 1.784 56.270 54.840 -0.589 0.000 0.769 467 L CB -0.577 40.876 42.059 -1.009 0.000 0.908 467 L HN 0.311 8.541 8.230 -0.000 0.000 0.438 468 K N -1.729 118.453 120.400 -0.363 0.000 2.218 468 K HA -0.182 4.164 4.320 0.044 0.000 0.205 468 K C 1.135 177.595 176.600 -0.234 0.000 1.046 468 K CA 1.814 57.909 56.287 -0.320 0.000 0.933 468 K CB -0.518 31.650 32.500 -0.554 0.000 0.728 468 K HN 0.327 8.577 8.250 -0.000 0.000 0.454 469 D N 0.925 121.181 120.400 -0.241 0.000 2.340 469 D HA 0.106 4.773 4.640 0.044 0.000 0.220 469 D C 0.237 176.461 176.300 -0.126 0.000 1.039 469 D CA 0.384 54.281 54.000 -0.172 0.000 0.866 469 D CB 0.383 41.072 40.800 -0.185 0.000 0.913 469 D HN 0.419 8.789 8.370 -0.000 0.000 0.523 470 A N 0.626 123.363 122.820 -0.137 0.000 2.302 470 A HA 0.251 4.597 4.320 0.044 0.000 0.285 470 A C 0.563 178.074 177.584 -0.121 0.000 1.105 470 A CA -0.436 51.543 52.037 -0.097 0.000 0.816 470 A CB 0.736 19.691 19.000 -0.075 0.000 1.067 470 A HN -0.015 8.135 8.150 -0.000 0.000 0.489 471 Q N 0.252 119.979 119.800 -0.122 0.000 2.479 471 Q HA 0.008 4.374 4.340 0.044 0.000 0.267 471 Q C 0.914 176.835 176.000 -0.131 0.000 1.071 471 Q CA -0.424 55.333 55.803 -0.077 0.000 0.935 471 Q CB 0.328 29.079 28.738 0.022 0.000 1.295 471 Q HN 0.664 8.934 8.270 -0.000 0.000 0.476 472 I N 1.568 122.136 120.570 -0.004 0.000 2.151 472 I HA -0.305 3.892 4.170 0.044 0.000 0.243 472 I C 2.111 178.238 176.117 0.015 0.000 1.080 472 I CA 1.640 62.945 61.300 0.008 0.000 1.339 472 I CB -1.211 36.825 38.000 0.060 0.000 1.039 472 I HN 0.750 8.960 8.210 -0.000 0.000 0.409 473 F N 0.816 120.769 119.950 0.006 0.000 2.333 473 F HA -0.090 4.463 4.527 0.044 0.000 0.300 473 F C 2.215 178.027 175.800 0.020 0.000 1.083 473 F CA 1.142 59.149 58.000 0.011 0.000 1.395 473 F CB -1.054 37.955 39.000 0.014 0.000 1.056 473 F HN -0.059 8.241 8.300 -0.000 0.000 0.529 474 I N 0.413 120.514 120.570 -0.782 0.000 2.480 474 I HA -0.162 4.034 4.170 0.044 0.000 0.251 474 I C 2.462 178.444 176.117 -0.226 0.000 1.124 474 I CA 0.831 61.799 61.300 -0.554 0.000 1.444 474 I CB -0.600 37.059 38.000 -0.568 0.000 1.098 474 I HN 0.204 8.414 8.210 -0.000 0.000 0.428 475 Q N 0.834 120.507 119.800 -0.210 0.000 2.084 475 Q HA -0.191 4.175 4.340 0.044 0.000 0.202 475 Q C 2.177 178.117 176.000 -0.099 0.000 0.978 475 Q CA 1.180 56.879 55.803 -0.173 0.000 0.844 475 Q CB -0.035 28.614 28.738 -0.149 0.000 0.898 475 Q HN 0.333 8.603 8.270 -0.000 0.000 0.426 476 K N 0.965 121.331 120.400 -0.056 0.000 2.026 476 K HA -0.155 4.192 4.320 0.044 0.000 0.208 476 K C 1.980 178.573 176.600 -0.011 0.000 1.048 476 K CA 1.152 57.432 56.287 -0.012 0.000 0.929 476 K CB -0.240 32.278 32.500 0.030 0.000 0.713 476 K HN -0.026 8.224 8.250 -0.000 0.000 0.439 477 K N 1.134 121.528 120.400 -0.009 0.000 2.026 477 K HA -0.049 4.297 4.320 0.044 0.000 0.208 477 K C 1.983 178.557 176.600 -0.042 0.000 1.048 477 K CA 1.512 57.797 56.287 -0.003 0.000 0.929 477 K CB -0.503 32.013 32.500 0.026 0.000 0.713 477 K HN 0.112 8.362 8.250 -0.000 0.000 0.439 478 A N 0.033 122.829 122.820 -0.040 0.000 1.883 478 A HA -0.145 4.201 4.320 0.044 0.000 0.217 478 A C 2.328 179.833 177.584 -0.132 0.000 1.186 478 A CA 2.046 54.034 52.037 -0.081 0.000 0.624 478 A CB -0.924 18.062 19.000 -0.023 0.000 0.822 478 A HN 0.134 8.284 8.150 -0.000 0.000 0.444 479 V N 0.157 120.073 119.914 0.004 0.000 2.490 479 V HA -0.257 3.889 4.120 0.044 0.000 0.250 479 V C 2.504 178.602 176.094 0.007 0.000 1.061 479 V CA 2.304 64.651 62.300 0.080 0.000 1.064 479 V CB -0.645 31.192 31.823 0.024 0.000 0.670 479 V HN 0.640 8.830 8.190 -0.000 0.000 0.461 480 K N 0.203 120.581 120.400 -0.037 0.000 2.057 480 K HA -0.212 4.135 4.320 0.044 0.000 0.207 480 K C 2.043 178.593 176.600 -0.082 0.000 1.049 480 K CA 1.730 57.992 56.287 -0.040 0.000 0.931 480 K CB -0.118 32.363 32.500 -0.031 0.000 0.714 480 K HN 0.459 8.709 8.250 -0.000 0.000 0.440 481 N N 0.297 118.894 118.700 -0.173 0.000 2.106 481 N HA -0.134 4.633 4.740 0.044 0.000 0.188 481 N C 1.678 177.019 175.510 -0.281 0.000 1.029 481 N CA 1.183 54.079 53.050 -0.256 0.000 0.848 481 N CB -0.474 37.782 38.487 -0.384 0.000 1.007 481 N HN 0.101 8.481 8.380 -0.000 0.000 0.423 482 F N 1.635 121.458 119.950 -0.211 0.000 2.134 482 F HA -0.100 4.450 4.527 0.039 0.000 0.299 482 F C 2.550 178.209 175.800 -0.235 0.000 1.097 482 F CA 0.976 58.731 58.000 -0.408 0.000 1.264 482 F CB -1.227 37.374 39.000 -0.665 0.000 1.001 482 F HN 0.004 8.304 8.300 -0.000 0.000 0.479 483 T N -0.809 113.768 114.554 0.038 0.000 2.759 483 T HA -0.231 4.145 4.350 0.044 0.000 0.269 483 T C 1.868 176.587 174.700 0.032 0.000 1.042 483 T CA 1.563 63.688 62.100 0.043 0.000 1.140 483 T CB -0.325 68.557 68.868 0.024 0.000 0.864 483 T HN 0.310 8.550 8.240 -0.000 0.000 0.455 484 E N 0.056 120.257 120.200 0.001 0.000 2.153 484 E HA -0.110 4.266 4.350 0.044 0.000 0.194 484 E C 2.168 178.786 176.600 0.030 0.000 0.988 484 E CA 0.745 57.144 56.400 -0.002 0.000 0.811 484 E CB -0.011 29.672 29.700 -0.029 0.000 0.746 484 E HN 0.274 8.634 8.360 -0.000 0.000 0.466 485 V N -0.752 119.205 119.914 0.071 0.000 2.323 485 V HA -0.113 4.033 4.120 0.044 0.000 0.244 485 V C 0.627 176.847 176.094 0.211 0.000 1.041 485 V CA 1.667 64.059 62.300 0.154 0.000 1.025 485 V CB -0.260 31.729 31.823 0.276 0.000 0.656 485 V HN 0.307 8.497 8.190 -0.000 0.000 0.451 486 H N -2.616 116.503 119.070 0.081 0.000 3.153 486 H HA 0.230 4.802 4.556 0.027 0.000 0.323 486 H C -2.520 172.845 175.328 0.062 0.000 1.096 486 H CA -0.944 55.144 56.048 0.066 0.000 1.385 486 H CB 2.099 31.892 29.762 0.051 0.000 2.027 486 H HN -0.186 8.094 8.280 -0.000 0.000 0.499 487 P HA -0.176 4.244 4.420 -0.000 0.000 0.216 487 P C 1.011 178.460 177.300 0.248 0.000 1.153 487 P CA 1.866 65.044 63.100 0.130 0.000 0.858 487 P CB 0.243 31.962 31.700 0.032 0.000 0.789 488 D N -2.015 118.665 120.400 0.466 0.000 2.178 488 D HA -0.212 4.454 4.640 0.044 0.000 0.201 488 D C 1.853 178.334 176.300 0.301 0.000 0.980 488 D CA 1.024 55.225 54.000 0.335 0.000 0.842 488 D CB -0.696 40.296 40.800 0.320 0.000 0.948 488 D HN 0.215 8.585 8.370 -0.000 0.000 0.472 489 Y N 0.047 120.327 120.300 -0.032 0.000 2.089 489 Y HA -0.149 4.427 4.550 0.044 0.000 0.282 489 Y C 2.367 178.200 175.900 -0.112 0.000 1.139 489 Y CA 1.195 59.103 58.100 -0.320 0.000 1.123 489 Y CB -0.266 37.748 38.460 -0.743 0.000 0.980 489 Y HN 0.112 8.392 8.280 -0.000 0.000 0.493 490 G N -0.562 108.286 108.800 0.081 0.000 2.418 490 G HA2 -0.317 3.669 3.960 0.044 0.000 0.217 490 G HA3 -0.317 3.669 3.960 0.044 0.000 0.217 490 G C 1.761 176.692 174.900 0.052 0.000 1.158 490 G CA 1.140 46.253 45.100 0.022 0.000 0.771 490 G HN 0.526 8.816 8.290 -0.000 0.000 0.545 491 S N -0.544 115.216 115.700 0.099 0.000 2.383 491 S HA -0.154 4.342 4.470 0.044 0.000 0.227 491 S C 1.998 176.680 174.600 0.136 0.000 1.026 491 S CA 1.564 59.821 58.200 0.094 0.000 0.981 491 S CB -0.803 62.449 63.200 0.088 0.000 0.818 491 S HN 0.661 8.971 8.310 -0.000 0.000 0.472 492 H N 0.962 120.064 119.070 0.052 0.000 2.357 492 H HA 0.085 4.666 4.556 0.042 0.000 0.301 492 H C 1.991 177.324 175.328 0.009 0.000 1.082 492 H CA 1.502 57.577 56.048 0.045 0.000 1.342 492 H CB -0.106 29.709 29.762 0.089 0.000 1.389 492 H HN 0.400 8.680 8.280 -0.000 0.000 0.511 493 I N 0.435 121.032 120.570 0.045 0.000 2.202 493 I HA -0.246 3.951 4.170 0.044 0.000 0.242 493 I C 2.643 178.739 176.117 -0.035 0.000 1.091 493 I CA 1.135 62.374 61.300 -0.102 0.000 1.368 493 I CB -0.250 37.581 38.000 -0.281 0.000 1.058 493 I HN 0.327 8.537 8.210 -0.000 0.000 0.410 494 Q N 1.375 121.173 119.800 -0.004 0.000 2.096 494 Q HA -0.186 4.180 4.340 0.044 0.000 0.204 494 Q C 2.191 178.208 176.000 0.029 0.000 0.982 494 Q CA 2.336 58.143 55.803 0.007 0.000 0.850 494 Q CB -0.391 28.356 28.738 0.015 0.000 0.901 494 Q HN 0.487 8.757 8.270 -0.000 0.000 0.422 495 A N 0.063 122.916 122.820 0.055 0.000 1.917 495 A HA -0.188 4.159 4.320 0.044 0.000 0.219 495 A C 2.126 179.731 177.584 0.036 0.000 1.182 495 A CA 1.699 53.767 52.037 0.052 0.000 0.633 495 A CB -0.837 18.212 19.000 0.080 0.000 0.819 495 A HN 0.459 8.609 8.150 -0.000 0.000 0.448 496 L N -0.848 120.407 121.223 0.054 0.000 2.072 496 L HA -0.127 4.240 4.340 0.044 0.000 0.205 496 L C 2.574 179.492 176.870 0.080 0.000 1.079 496 L CA 0.862 55.711 54.840 0.016 0.000 0.752 496 L CB -0.538 41.554 42.059 0.055 0.000 0.906 496 L HN 0.364 8.594 8.230 -0.000 0.000 0.436 497 L N -0.367 120.933 121.223 0.129 0.000 2.042 497 L HA -0.266 4.100 4.340 0.044 0.000 0.210 497 L C 2.303 179.240 176.870 0.112 0.000 1.076 497 L CA 1.194 56.130 54.840 0.161 0.000 0.749 497 L CB -0.755 41.320 42.059 0.026 0.000 0.893 497 L HN 0.301 8.531 8.230 -0.000 0.000 0.432 498 D N 0.482 120.909 120.400 0.046 0.000 2.116 498 D HA -0.239 4.428 4.640 0.044 0.000 0.193 498 D C 2.099 178.404 176.300 0.008 0.000 0.998 498 D CA 1.851 55.864 54.000 0.022 0.000 0.836 498 D CB -0.147 40.658 40.800 0.009 0.000 0.951 498 D HN 0.467 8.837 8.370 -0.000 0.000 0.449 499 K N -0.348 120.028 120.400 -0.041 0.000 2.097 499 K HA -0.159 4.188 4.320 0.044 0.000 0.205 499 K C 2.042 178.591 176.600 -0.085 0.000 1.050 499 K CA 0.952 57.178 56.287 -0.101 0.000 0.938 499 K CB -0.526 31.861 32.500 -0.188 0.000 0.718 499 K HN 0.122 8.372 8.250 -0.000 0.000 0.442 500 Y N 2.000 122.289 120.300 -0.018 0.000 2.145 500 Y HA -0.080 4.496 4.550 0.043 0.000 0.286 500 Y C 0.993 176.881 175.900 -0.020 0.000 1.145 500 Y CA 0.967 59.054 58.100 -0.021 0.000 1.148 500 Y CB -0.750 37.691 38.460 -0.032 0.000 0.981 500 Y HN 0.176 8.456 8.280 -0.000 0.000 0.507 501 N N 0.000 118.789 118.700 0.148 0.000 1.763 501 N HA 0.000 4.766 4.740 0.044 0.000 0.220 501 N CA 0.000 53.093 53.050 0.072 0.000 0.885 501 N CB 0.000 38.515 38.487 0.046 0.000 1.341 501 N HN 0.000 8.380 8.380 -0.000 0.000 0.667