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 3o07_1_A DATA FIRST_RESID 16 DATA SEQUENCE LKGGVIMDVV TPEQAKIAEK SGACAVMALE SIPADMRKSG KVCRMSDPKM DATA SEQUENCE IKDIMNSVSI PVMAKVRIGH FVEAQIIEAL EVDYIDESEV LTPADWTHHI DATA SEQUENCE EKDKFKVPFV CGAKDLGEAL RRINEGAAMI RTKGEAGTGD VSEAVKHIRR DATA SEQUENCE ITEEIKACQQ LKSEDDIAKV AEEMRVPVSL LKDVLEKGKL PVVNFAAGGV DATA SEQUENCE ATPADAALLM QLGCDGVFVG SGIFKSSNPV RLATAVVEAT THFDNPSKLL DATA SEQUENCE EVSSDLGEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 16 L C 0.000 176.994 176.870 0.207 0.000 1.165 16 L CA 0.000 54.892 54.840 0.086 0.000 0.813 16 L CB 0.000 42.038 42.059 -0.034 0.000 0.961 17 K N 1.968 122.490 120.400 0.203 0.000 2.491 17 K HA 0.260 4.581 4.320 0.002 0.000 0.279 17 K C 1.208 177.814 176.600 0.010 0.000 1.026 17 K CA 1.521 57.897 56.287 0.147 0.000 1.070 17 K CB 0.295 32.864 32.500 0.114 0.000 0.887 17 K HN 0.320 8.570 8.250 -0.000 0.000 0.481 18 G N 2.236 110.963 108.800 -0.120 0.000 2.157 18 G HA2 -0.207 3.754 3.960 0.002 0.000 0.248 18 G HA3 -0.207 3.754 3.960 0.002 0.000 0.248 18 G C 0.260 175.087 174.900 -0.123 0.000 0.979 18 G CA -0.128 44.898 45.100 -0.123 0.000 0.650 18 G HN 0.985 9.275 8.290 -0.000 0.000 0.529 19 G N -1.579 107.146 108.800 -0.125 0.000 2.667 19 G HA2 0.752 4.713 3.960 0.002 0.000 0.310 19 G HA3 0.752 4.713 3.960 0.002 0.000 0.310 19 G C -0.747 174.085 174.900 -0.114 0.000 1.259 19 G CA -0.156 44.895 45.100 -0.081 0.000 1.019 19 G HN 0.924 9.214 8.290 -0.000 0.000 0.496 20 V N 0.276 120.140 119.914 -0.084 0.000 2.459 20 V HA 0.436 4.557 4.120 0.002 0.000 0.295 20 V C -0.648 175.377 176.094 -0.114 0.000 1.029 20 V CA -0.475 61.767 62.300 -0.098 0.000 0.874 20 V CB 1.372 33.159 31.823 -0.061 0.000 0.985 20 V HN 0.505 8.695 8.190 -0.000 0.000 0.438 21 I N 5.522 125.968 120.570 -0.207 0.000 2.354 21 I HA 0.494 4.665 4.170 0.002 0.000 0.292 21 I C 0.034 176.129 176.117 -0.037 0.000 0.989 21 I CA -0.004 61.171 61.300 -0.208 0.000 1.188 21 I CB 1.514 39.193 38.000 -0.536 0.000 1.342 21 I HN 0.448 8.658 8.210 -0.000 0.000 0.457 22 M N 4.477 124.099 119.600 0.037 0.000 2.294 22 M HA 0.368 4.849 4.480 0.002 0.000 0.335 22 M C -0.974 175.414 176.300 0.148 0.000 1.079 22 M CA -0.907 54.463 55.300 0.116 0.000 0.982 22 M CB 1.389 34.074 32.600 0.142 0.000 1.651 22 M HN 0.373 8.663 8.290 -0.000 0.000 0.437 23 D N 2.935 123.438 120.400 0.171 0.000 2.425 23 D HA 0.314 4.955 4.640 0.002 0.000 0.247 23 D C -0.590 175.782 176.300 0.121 0.000 1.147 23 D CA 0.260 54.341 54.000 0.135 0.000 0.879 23 D CB 0.841 41.717 40.800 0.126 0.000 1.179 23 D HN 0.398 8.768 8.370 -0.000 0.000 0.456 24 V N 0.197 120.121 119.914 0.018 0.000 2.760 24 V HA 0.512 4.633 4.120 0.002 0.000 0.309 24 V C 0.491 176.511 176.094 -0.122 0.000 1.077 24 V CA -0.885 61.341 62.300 -0.122 0.000 0.910 24 V CB 1.710 33.463 31.823 -0.117 0.000 1.008 24 V HN 0.296 8.486 8.190 -0.000 0.000 0.424 25 V N 0.451 120.253 119.914 -0.187 0.000 3.605 25 V HA 0.489 4.609 4.120 0.002 0.000 0.284 25 V C 0.629 176.652 176.094 -0.119 0.000 1.386 25 V CA 1.069 63.295 62.300 -0.123 0.000 1.053 25 V CB -0.361 31.404 31.823 -0.098 0.000 0.857 25 V HN 1.350 9.540 8.190 -0.000 0.000 0.436 26 T N -4.493 109.968 114.554 -0.155 0.000 2.864 26 T HA 0.608 4.959 4.350 0.002 0.000 0.299 26 T C -2.493 172.144 174.700 -0.104 0.000 1.166 26 T CA -1.201 60.830 62.100 -0.115 0.000 1.007 26 T CB 1.686 70.485 68.868 -0.114 0.000 1.219 26 T HN -0.080 8.160 8.240 -0.000 0.000 0.506 27 P HA -0.054 4.366 4.420 -0.000 0.000 0.216 27 P C 1.444 178.715 177.300 -0.048 0.000 1.150 27 P CA 0.971 64.043 63.100 -0.048 0.000 0.837 27 P CB 0.144 31.825 31.700 -0.032 0.000 0.786 28 E N -0.324 119.843 120.200 -0.055 0.000 2.150 28 E HA -0.169 4.182 4.350 0.002 0.000 0.193 28 E C 2.067 178.635 176.600 -0.055 0.000 0.985 28 E CA 1.026 57.403 56.400 -0.039 0.000 0.814 28 E CB -0.486 29.198 29.700 -0.027 0.000 0.752 28 E HN 0.468 8.828 8.360 -0.000 0.000 0.466 29 Q N 0.244 119.944 119.800 -0.167 0.000 2.084 29 Q HA -0.083 4.258 4.340 0.002 0.000 0.202 29 Q C 2.192 178.128 176.000 -0.107 0.000 0.978 29 Q CA 1.356 56.957 55.803 -0.337 0.000 0.844 29 Q CB -0.178 28.059 28.738 -0.835 0.000 0.898 29 Q HN 0.219 8.489 8.270 -0.000 0.000 0.426 30 A N 1.535 124.308 122.820 -0.078 0.000 1.940 30 A HA -0.220 4.101 4.320 0.002 0.000 0.219 30 A C 1.923 179.529 177.584 0.038 0.000 1.176 30 A CA 1.459 53.494 52.037 -0.002 0.000 0.631 30 A CB -0.293 18.698 19.000 -0.015 0.000 0.814 30 A HN 0.179 8.329 8.150 -0.000 0.000 0.446 31 K N -0.566 119.851 120.400 0.028 0.000 2.097 31 K HA -0.037 4.284 4.320 0.002 0.000 0.205 31 K C 1.809 178.451 176.600 0.070 0.000 1.050 31 K CA 1.390 57.702 56.287 0.041 0.000 0.938 31 K CB -0.350 32.166 32.500 0.027 0.000 0.718 31 K HN 0.558 8.808 8.250 -0.000 0.000 0.442 32 I N 1.091 121.730 120.570 0.114 0.000 2.179 32 I HA -0.291 3.880 4.170 0.002 0.000 0.242 32 I C 2.554 178.758 176.117 0.145 0.000 1.088 32 I CA 1.161 62.555 61.300 0.156 0.000 1.357 32 I CB -0.448 37.728 38.000 0.293 0.000 1.051 32 I HN 0.130 8.340 8.210 -0.000 0.000 0.409 33 A N 0.316 123.255 122.820 0.197 0.000 1.883 33 A HA -0.294 4.027 4.320 0.002 0.000 0.217 33 A C 2.321 179.951 177.584 0.076 0.000 1.186 33 A CA 2.136 54.261 52.037 0.147 0.000 0.624 33 A CB -0.735 18.370 19.000 0.175 0.000 0.822 33 A HN 0.509 8.659 8.150 -0.000 0.000 0.444 34 E N -0.184 120.054 120.200 0.064 0.000 2.058 34 E HA -0.236 4.115 4.350 0.002 0.000 0.194 34 E C 1.974 178.594 176.600 0.034 0.000 0.997 34 E CA 1.592 58.017 56.400 0.041 0.000 0.801 34 E CB -0.117 29.604 29.700 0.034 0.000 0.746 34 E HN 0.616 8.976 8.360 -0.000 0.000 0.450 35 K N 0.128 120.551 120.400 0.039 0.000 2.147 35 K HA -0.101 4.220 4.320 0.002 0.000 0.205 35 K C 2.261 178.876 176.600 0.024 0.000 1.049 35 K CA 1.343 57.648 56.287 0.030 0.000 0.936 35 K CB -0.066 32.454 32.500 0.032 0.000 0.722 35 K HN 0.133 8.383 8.250 -0.000 0.000 0.446 36 S N -0.782 114.933 115.700 0.026 0.000 2.522 36 S HA 0.043 4.514 4.470 0.002 0.000 0.227 36 S C 1.362 175.968 174.600 0.010 0.000 0.986 36 S CA 0.617 58.824 58.200 0.012 0.000 0.929 36 S CB 0.235 63.435 63.200 0.000 0.000 0.769 36 S HN 0.414 8.724 8.310 -0.000 0.000 0.529 37 G N 0.465 109.274 108.800 0.014 0.000 2.138 37 G HA2 0.054 4.015 3.960 0.002 0.000 0.193 37 G HA3 0.054 4.015 3.960 0.002 0.000 0.193 37 G C 0.188 175.090 174.900 0.003 0.000 0.998 37 G CA -0.182 44.924 45.100 0.009 0.000 0.668 37 G HN 1.186 9.476 8.290 -0.000 0.000 0.516 38 A N -0.275 122.550 122.820 0.007 0.000 2.520 38 A HA 0.457 4.778 4.320 0.002 0.000 0.235 38 A C 2.060 179.641 177.584 -0.004 0.000 1.065 38 A CA 0.971 53.008 52.037 -0.001 0.000 0.764 38 A CB -0.096 18.913 19.000 0.015 0.000 1.002 38 A HN 1.809 9.959 8.150 -0.000 0.000 0.502 39 C N 0.647 119.935 119.300 -0.020 0.000 2.467 39 C HA 0.538 4.999 4.460 0.002 0.000 0.279 39 C C 1.089 176.068 174.990 -0.018 0.000 1.347 39 C CA 0.349 59.358 59.018 -0.016 0.000 1.748 39 C CB -1.632 26.096 27.740 -0.019 0.000 1.977 39 C HN 1.569 9.799 8.230 -0.000 0.000 0.501 40 A N 0.012 122.810 122.820 -0.036 0.000 2.599 40 A HA 0.711 5.032 4.320 0.002 0.000 0.290 40 A C -0.849 176.727 177.584 -0.012 0.000 1.101 40 A CA 0.238 52.259 52.037 -0.026 0.000 0.674 40 A CB 0.749 19.706 19.000 -0.070 0.000 1.277 40 A HN 1.351 9.501 8.150 -0.000 0.000 0.419 41 V N -1.831 118.091 119.914 0.013 0.000 2.864 41 V HA 0.908 5.029 4.120 0.002 0.000 0.314 41 V C -0.412 175.708 176.094 0.043 0.000 1.073 41 V CA -0.777 61.544 62.300 0.034 0.000 0.956 41 V CB 1.698 33.543 31.823 0.038 0.000 1.023 41 V HN 1.251 9.441 8.190 -0.000 0.000 0.435 42 M N 4.105 123.743 119.600 0.063 0.000 2.072 42 M HA 0.824 5.305 4.480 0.002 0.000 0.331 42 M C -0.142 176.179 176.300 0.035 0.000 1.004 42 M CA -0.299 55.041 55.300 0.066 0.000 0.952 42 M CB 0.695 33.363 32.600 0.114 0.000 1.511 42 M HN 1.198 9.488 8.290 -0.000 0.000 0.422 43 A N 5.891 128.720 122.820 0.015 0.000 2.320 43 A HA 0.701 5.021 4.320 0.002 0.000 0.287 43 A C -1.218 176.359 177.584 -0.012 0.000 1.181 43 A CA -0.531 51.502 52.037 -0.006 0.000 0.831 43 A CB -0.187 18.806 19.000 -0.012 0.000 1.102 43 A HN 1.088 9.238 8.150 -0.000 0.000 0.513 44 L N 0.203 121.414 121.223 -0.020 0.000 2.505 44 L HA 0.605 4.946 4.340 0.002 0.000 0.259 44 L C 0.352 177.205 176.870 -0.029 0.000 0.952 44 L CA -0.542 54.285 54.840 -0.022 0.000 0.840 44 L CB 1.517 43.568 42.059 -0.013 0.000 1.358 44 L HN 0.773 9.003 8.230 -0.000 0.000 0.409 45 E N 0.556 120.739 120.200 -0.029 0.000 2.230 45 E HA 0.183 4.534 4.350 0.002 0.000 0.192 45 E C -0.220 176.364 176.600 -0.025 0.000 0.987 45 E CA 0.389 56.771 56.400 -0.030 0.000 0.841 45 E CB 0.273 29.957 29.700 -0.028 0.000 0.783 45 E HN 0.577 8.937 8.360 -0.000 0.000 0.481 46 S N 0.327 116.015 115.700 -0.020 0.000 2.541 46 S HA 0.436 4.907 4.470 0.002 0.000 0.280 46 S C -0.463 174.133 174.600 -0.007 0.000 1.112 46 S CA -0.779 57.413 58.200 -0.013 0.000 0.925 46 S CB 1.622 64.815 63.200 -0.011 0.000 1.067 46 S HN 0.157 8.467 8.310 -0.000 0.000 0.479 47 I N 3.753 124.323 120.570 -0.000 0.000 2.421 47 I HA 0.174 4.345 4.170 0.002 0.000 0.291 47 I C -1.650 174.472 176.117 0.008 0.000 1.089 47 I CA -1.745 59.561 61.300 0.009 0.000 1.354 47 I CB 0.748 38.759 38.000 0.019 0.000 1.413 47 I HN 0.464 8.674 8.210 -0.000 0.000 0.513 48 P HA -0.142 4.278 4.420 -0.000 0.000 0.220 48 P C 1.346 178.652 177.300 0.010 0.000 1.148 48 P CA 0.799 63.901 63.100 0.004 0.000 0.803 48 P CB 0.273 31.972 31.700 -0.002 0.000 0.782 49 A N -0.051 122.778 122.820 0.015 0.000 1.969 49 A HA -0.179 4.142 4.320 0.002 0.000 0.218 49 A C 1.901 179.496 177.584 0.017 0.000 1.169 49 A CA 1.770 53.818 52.037 0.018 0.000 0.635 49 A CB -1.197 17.816 19.000 0.021 0.000 0.810 49 A HN 0.065 8.215 8.150 -0.000 0.000 0.445 50 D N -0.556 119.853 120.400 0.016 0.000 2.183 50 D HA -0.053 4.587 4.640 0.002 0.000 0.203 50 D C 1.913 178.221 176.300 0.012 0.000 0.969 50 D CA 1.022 55.031 54.000 0.014 0.000 0.842 50 D CB -0.210 40.599 40.800 0.014 0.000 0.957 50 D HN 0.429 8.799 8.370 -0.000 0.000 0.484 51 M N -0.369 119.238 119.600 0.011 0.000 2.476 51 M HA 0.078 4.559 4.480 0.002 0.000 0.262 51 M C 1.952 178.260 176.300 0.014 0.000 1.111 51 M CA 0.348 55.654 55.300 0.010 0.000 1.127 51 M CB 0.146 32.750 32.600 0.006 0.000 1.376 51 M HN -0.105 8.185 8.290 -0.000 0.000 0.465 52 R N 0.453 120.963 120.500 0.016 0.000 2.096 52 R HA -0.075 4.266 4.340 0.002 0.000 0.235 52 R C 2.059 178.371 176.300 0.020 0.000 1.127 52 R CA 0.898 57.010 56.100 0.021 0.000 0.968 52 R CB -0.004 30.310 30.300 0.023 0.000 0.861 52 R HN 0.114 8.384 8.270 -0.000 0.000 0.440 53 K N -0.015 120.395 120.400 0.017 0.000 2.288 53 K HA 0.037 4.358 4.320 0.002 0.000 0.201 53 K C 1.496 178.104 176.600 0.014 0.000 1.048 53 K CA 0.942 57.238 56.287 0.015 0.000 0.956 53 K CB 0.307 32.816 32.500 0.014 0.000 0.746 53 K HN 0.053 8.303 8.250 -0.000 0.000 0.461 54 S N -0.662 115.046 115.700 0.013 0.000 2.575 54 S HA 0.138 4.609 4.470 0.002 0.000 0.215 54 S C 1.183 175.791 174.600 0.013 0.000 0.966 54 S CA 0.471 58.678 58.200 0.012 0.000 0.911 54 S CB 0.594 63.800 63.200 0.010 0.000 0.780 54 S HN 0.470 8.780 8.310 -0.000 0.000 0.514 55 G N 2.083 110.893 108.800 0.016 0.000 2.168 55 G HA2 -0.262 3.699 3.960 0.002 0.000 0.263 55 G HA3 -0.262 3.699 3.960 0.002 0.000 0.263 55 G C 0.038 174.951 174.900 0.021 0.000 0.977 55 G CA 0.100 45.211 45.100 0.019 0.000 0.659 55 G HN 0.380 8.670 8.290 -0.000 0.000 0.533 56 K N 0.118 120.529 120.400 0.018 0.000 2.168 56 K HA 0.481 4.802 4.320 0.002 0.000 0.258 56 K C 0.713 177.324 176.600 0.019 0.000 1.010 56 K CA -0.534 55.762 56.287 0.016 0.000 0.929 56 K CB 1.671 34.178 32.500 0.010 0.000 0.998 56 K HN 0.076 8.326 8.250 -0.000 0.000 0.479 57 V N 1.654 121.579 119.914 0.018 0.000 2.488 57 V HA 0.017 4.138 4.120 0.002 0.000 0.277 57 V C 0.331 176.428 176.094 0.006 0.000 1.046 57 V CA -0.650 61.661 62.300 0.018 0.000 0.986 57 V CB 1.016 32.852 31.823 0.021 0.000 0.989 57 V HN 0.767 8.957 8.190 -0.000 0.000 0.475 58 C N 7.704 127.005 119.300 0.001 0.000 2.298 58 C HA 0.709 5.170 4.460 0.002 0.000 0.323 58 C C 0.391 175.366 174.990 -0.025 0.000 1.284 58 C CA -0.668 58.343 59.018 -0.012 0.000 1.577 58 C CB -0.090 27.643 27.740 -0.011 0.000 2.249 58 C HN 1.035 9.265 8.230 -0.000 0.000 0.497 59 R N 3.899 124.378 120.500 -0.036 0.000 3.029 59 R HA 0.503 4.844 4.340 0.002 0.000 0.239 59 R C -0.242 176.013 176.300 -0.075 0.000 1.351 59 R CA -1.079 54.984 56.100 -0.060 0.000 1.052 59 R CB 0.889 31.151 30.300 -0.062 0.000 1.354 59 R HN 0.783 9.053 8.270 -0.000 0.000 0.499 60 M N 1.414 120.947 119.600 -0.112 0.000 2.235 60 M HA -0.006 4.475 4.480 0.002 0.000 0.336 60 M C -0.558 175.697 176.300 -0.075 0.000 1.146 60 M CA 0.972 56.210 55.300 -0.104 0.000 1.018 60 M CB 0.567 33.079 32.600 -0.146 0.000 1.694 60 M HN 0.524 8.814 8.290 -0.000 0.000 0.451 61 S N 2.912 118.577 115.700 -0.059 0.000 2.603 61 S HA 0.067 4.538 4.470 0.002 0.000 0.268 61 S C -0.316 174.258 174.600 -0.044 0.000 1.317 61 S CA -0.677 57.496 58.200 -0.045 0.000 1.012 61 S CB 0.658 63.835 63.200 -0.038 0.000 0.926 61 S HN 0.753 9.063 8.310 -0.000 0.000 0.539 62 D N 1.526 121.904 120.400 -0.035 0.000 2.487 62 D HA 0.057 4.698 4.640 0.002 0.000 0.243 62 D C -1.617 174.666 176.300 -0.028 0.000 1.154 62 D CA -1.466 52.515 54.000 -0.031 0.000 0.876 62 D CB 0.974 41.759 40.800 -0.025 0.000 1.161 62 D HN 0.088 8.458 8.370 -0.000 0.000 0.478 63 P HA -0.172 4.248 4.420 -0.000 0.000 0.218 63 P C 1.274 178.563 177.300 -0.019 0.000 1.146 63 P CA 1.143 64.230 63.100 -0.022 0.000 0.813 63 P CB 0.206 31.895 31.700 -0.018 0.000 0.778 64 K N 0.265 120.655 120.400 -0.018 0.000 2.057 64 K HA -0.179 4.142 4.320 0.002 0.000 0.207 64 K C 1.925 178.515 176.600 -0.018 0.000 1.049 64 K CA 2.118 58.395 56.287 -0.016 0.000 0.931 64 K CB -0.408 32.083 32.500 -0.014 0.000 0.714 64 K HN 0.068 8.318 8.250 -0.000 0.000 0.440 65 M N -0.208 119.379 119.600 -0.021 0.000 2.254 65 M HA -0.009 4.472 4.480 0.002 0.000 0.265 65 M C 1.652 177.937 176.300 -0.024 0.000 1.066 65 M CA 1.537 56.822 55.300 -0.024 0.000 1.123 65 M CB -0.404 32.180 32.600 -0.027 0.000 1.388 65 M HN 0.065 8.355 8.290 -0.000 0.000 0.425 66 I N 0.268 120.824 120.570 -0.023 0.000 2.202 66 I HA -0.198 3.973 4.170 0.002 0.000 0.242 66 I C 2.509 178.616 176.117 -0.017 0.000 1.091 66 I CA 1.357 62.644 61.300 -0.021 0.000 1.368 66 I CB -0.593 37.393 38.000 -0.023 0.000 1.058 66 I HN 0.326 8.536 8.210 -0.000 0.000 0.410 67 K N 1.276 121.667 120.400 -0.016 0.000 2.097 67 K HA -0.202 4.119 4.320 0.002 0.000 0.206 67 K C 1.592 178.185 176.600 -0.012 0.000 1.049 67 K CA 1.697 57.977 56.287 -0.012 0.000 0.933 67 K CB -0.302 32.191 32.500 -0.011 0.000 0.717 67 K HN 0.192 8.442 8.250 -0.000 0.000 0.442 68 D N 0.042 120.433 120.400 -0.014 0.000 2.178 68 D HA -0.119 4.522 4.640 0.002 0.000 0.201 68 D C 1.866 178.156 176.300 -0.016 0.000 0.980 68 D CA 1.120 55.111 54.000 -0.015 0.000 0.842 68 D CB -0.031 40.758 40.800 -0.018 0.000 0.948 68 D HN 0.292 8.662 8.370 -0.000 0.000 0.472 69 I N 0.151 120.710 120.570 -0.018 0.000 2.286 69 I HA -0.197 3.974 4.170 0.002 0.000 0.245 69 I C 2.393 178.505 176.117 -0.009 0.000 1.104 69 I CA 0.594 61.883 61.300 -0.017 0.000 1.397 69 I CB -0.083 37.904 38.000 -0.022 0.000 1.072 69 I HN -0.076 8.134 8.210 -0.000 0.000 0.417 70 M N 0.311 119.907 119.600 -0.007 0.000 2.149 70 M HA -0.230 4.251 4.480 0.002 0.000 0.261 70 M C 1.639 177.938 176.300 -0.001 0.000 1.064 70 M CA 1.667 56.966 55.300 -0.002 0.000 1.102 70 M CB -0.484 32.114 32.600 -0.004 0.000 1.369 70 M HN 0.232 8.522 8.290 -0.000 0.000 0.408 71 N N -0.401 118.297 118.700 -0.004 0.000 2.512 71 N HA -0.019 4.722 4.740 0.002 0.000 0.183 71 N C 1.278 176.786 175.510 -0.002 0.000 1.073 71 N CA 0.820 53.869 53.050 -0.003 0.000 0.911 71 N CB -0.040 38.445 38.487 -0.005 0.000 0.964 71 N HN 0.231 8.611 8.380 -0.000 0.000 0.447 72 S N -0.405 115.294 115.700 -0.002 0.000 2.503 72 S HA 0.115 4.586 4.470 0.002 0.000 0.215 72 S C 0.828 175.430 174.600 0.004 0.000 1.003 72 S CA -0.289 57.910 58.200 -0.001 0.000 0.910 72 S CB 0.559 63.755 63.200 -0.006 0.000 0.790 72 S HN 0.206 8.516 8.310 -0.000 0.000 0.514 73 V N -2.021 117.896 119.914 0.006 0.000 3.130 73 V HA 0.651 4.772 4.120 0.002 0.000 0.310 73 V C 0.203 176.305 176.094 0.012 0.000 1.158 73 V CA -0.751 61.556 62.300 0.012 0.000 1.029 73 V CB 1.780 33.612 31.823 0.016 0.000 1.057 73 V HN -0.070 8.120 8.190 -0.000 0.000 0.436 74 S N 1.230 116.938 115.700 0.015 0.000 2.511 74 S HA 0.370 4.841 4.470 0.002 0.000 0.214 74 S C 0.721 175.332 174.600 0.019 0.000 0.997 74 S CA 0.334 58.543 58.200 0.015 0.000 0.908 74 S CB -0.397 62.811 63.200 0.013 0.000 0.803 74 S HN 0.803 9.113 8.310 -0.000 0.000 0.504 75 I N 0.139 120.722 120.570 0.022 0.000 2.886 75 I HA 0.441 4.612 4.170 0.002 0.000 0.299 75 I C -2.889 173.249 176.117 0.036 0.000 1.044 75 I CA -2.697 58.619 61.300 0.028 0.000 1.310 75 I CB -0.138 37.876 38.000 0.024 0.000 1.441 75 I HN -0.218 7.992 8.210 -0.000 0.000 0.578 76 P HA 0.147 4.567 4.420 -0.000 0.000 0.269 76 P C -0.851 176.493 177.300 0.073 0.000 1.209 76 P CA -0.121 63.029 63.100 0.083 0.000 0.776 76 P CB 0.774 32.569 31.700 0.159 0.000 0.876 77 V N 3.840 123.799 119.914 0.076 0.000 2.495 77 V HA 0.423 4.544 4.120 0.002 0.000 0.298 77 V C 0.248 176.391 176.094 0.082 0.000 1.031 77 V CA -0.385 61.950 62.300 0.058 0.000 0.871 77 V CB 1.404 33.244 31.823 0.028 0.000 0.988 77 V HN 0.487 8.677 8.190 -0.000 0.000 0.432 78 M N 3.354 122.998 119.600 0.073 0.000 2.654 78 M HA 0.896 5.376 4.480 0.002 0.000 0.310 78 M C -0.230 176.084 176.300 0.024 0.000 1.211 78 M CA -0.554 54.790 55.300 0.073 0.000 0.947 78 M CB 2.222 34.873 32.600 0.084 0.000 1.647 78 M HN 0.720 9.010 8.290 -0.000 0.000 0.481 79 A N 1.201 124.015 122.820 -0.009 0.000 2.587 79 A HA 0.736 5.057 4.320 0.002 0.000 0.293 79 A C -1.427 176.123 177.584 -0.056 0.000 1.087 79 A CA -0.942 51.076 52.037 -0.032 0.000 0.692 79 A CB 1.675 20.650 19.000 -0.043 0.000 1.291 79 A HN 0.793 8.943 8.150 -0.000 0.000 0.407 80 K N 0.193 120.562 120.400 -0.052 0.000 2.098 80 K HA 0.666 4.987 4.320 0.002 0.000 0.258 80 K C -0.500 176.060 176.600 -0.068 0.000 0.973 80 K CA -0.642 55.610 56.287 -0.059 0.000 0.898 80 K CB 1.965 34.435 32.500 -0.050 0.000 1.057 80 K HN 0.817 9.067 8.250 -0.000 0.000 0.447 81 V N -1.295 118.585 119.914 -0.058 0.000 3.040 81 V HA 0.533 4.654 4.120 0.002 0.000 0.312 81 V C -0.540 175.526 176.094 -0.048 0.000 1.115 81 V CA -1.372 60.892 62.300 -0.060 0.000 0.998 81 V CB 1.742 33.544 31.823 -0.035 0.000 1.042 81 V HN 0.676 8.866 8.190 -0.000 0.000 0.433 82 R N 1.677 122.142 120.500 -0.058 0.000 2.643 82 R HA 0.461 4.802 4.340 0.002 0.000 0.270 82 R C -0.140 176.118 176.300 -0.071 0.000 1.061 82 R CA -0.347 55.715 56.100 -0.062 0.000 1.107 82 R CB 0.573 30.855 30.300 -0.029 0.000 0.999 82 R HN 0.712 8.982 8.270 -0.000 0.000 0.460 83 I N 2.272 122.735 120.570 -0.178 0.000 2.821 83 I HA -0.177 3.994 4.170 0.002 0.000 0.294 83 I C 1.449 177.415 176.117 -0.251 0.000 1.210 83 I CA 1.467 62.591 61.300 -0.294 0.000 1.430 83 I CB 0.259 37.949 38.000 -0.517 0.000 1.356 83 I HN 1.028 9.238 8.210 -0.000 0.000 0.563 84 G N 4.302 113.006 108.800 -0.160 0.000 2.179 84 G HA2 -0.344 3.617 3.960 0.002 0.000 0.260 84 G HA3 -0.344 3.617 3.960 0.002 0.000 0.260 84 G C 0.361 175.272 174.900 0.018 0.000 0.977 84 G CA 0.137 45.218 45.100 -0.031 0.000 0.641 84 G HN 0.818 9.108 8.290 -0.000 0.000 0.533 85 H N 0.636 119.657 119.070 -0.081 0.000 2.923 85 H HA 0.441 4.997 4.556 0.001 0.000 0.251 85 H C 1.786 177.070 175.328 -0.073 0.000 1.741 85 H CA -0.346 55.607 56.048 -0.158 0.000 1.387 85 H CB -0.530 29.151 29.762 -0.136 0.000 1.740 85 H HN 0.385 8.665 8.280 -0.000 0.000 0.544 86 F N 0.946 121.020 119.950 0.207 0.000 2.365 86 F HA -0.092 4.437 4.527 0.002 0.000 0.300 86 F C 1.292 177.295 175.800 0.339 0.000 1.090 86 F CA 0.251 58.416 58.000 0.274 0.000 1.408 86 F CB -0.808 38.338 39.000 0.245 0.000 1.060 86 F HN 0.226 8.526 8.300 -0.000 0.000 0.534 87 V N 0.872 120.892 119.914 0.177 0.000 2.407 87 V HA -0.190 3.931 4.120 0.002 0.000 0.245 87 V C 2.383 178.581 176.094 0.173 0.000 1.041 87 V CA 1.886 64.321 62.300 0.225 0.000 1.040 87 V CB -0.667 31.224 31.823 0.112 0.000 0.671 87 V HN 0.328 8.518 8.190 -0.000 0.000 0.455 88 E N 0.546 120.780 120.200 0.057 0.000 2.097 88 E HA -0.280 4.071 4.350 0.002 0.000 0.196 88 E C 2.308 178.921 176.600 0.022 0.000 1.000 88 E CA 1.553 57.870 56.400 -0.138 0.000 0.804 88 E CB -0.318 29.140 29.700 -0.404 0.000 0.740 88 E HN 0.607 8.967 8.360 -0.000 0.000 0.454 89 A N 1.024 123.923 122.820 0.131 0.000 1.930 89 A HA -0.244 4.077 4.320 0.002 0.000 0.217 89 A C 2.029 179.809 177.584 0.326 0.000 1.175 89 A CA 1.371 53.492 52.037 0.139 0.000 0.627 89 A CB -0.400 18.647 19.000 0.078 0.000 0.815 89 A HN 0.189 8.339 8.150 -0.000 0.000 0.443 90 Q N -0.464 119.612 119.800 0.461 0.000 2.084 90 Q HA -0.131 4.210 4.340 0.002 0.000 0.202 90 Q C 1.990 178.108 176.000 0.195 0.000 0.978 90 Q CA 1.641 57.672 55.803 0.380 0.000 0.844 90 Q CB -0.360 28.543 28.738 0.275 0.000 0.898 90 Q HN 0.750 9.020 8.270 -0.000 0.000 0.426 91 I N 0.342 120.989 120.570 0.128 0.000 2.179 91 I HA -0.269 3.902 4.170 0.002 0.000 0.242 91 I C 1.999 178.140 176.117 0.041 0.000 1.088 91 I CA 0.796 62.133 61.300 0.061 0.000 1.357 91 I CB -0.234 37.779 38.000 0.023 0.000 1.051 91 I HN 0.240 8.450 8.210 -0.000 0.000 0.409 92 I N 0.579 121.166 120.570 0.028 0.000 2.315 92 I HA -0.252 3.919 4.170 0.002 0.000 0.248 92 I C 2.512 178.630 176.117 0.001 0.000 1.117 92 I CA 1.477 62.771 61.300 -0.010 0.000 1.404 92 I CB -1.217 36.749 38.000 -0.057 0.000 1.071 92 I HN 0.399 8.609 8.210 -0.000 0.000 0.419 93 E N 1.280 121.514 120.200 0.056 0.000 2.077 93 E HA -0.204 4.147 4.350 0.002 0.000 0.193 93 E C 2.293 178.925 176.600 0.054 0.000 0.989 93 E CA 1.435 57.883 56.400 0.079 0.000 0.800 93 E CB 0.072 29.911 29.700 0.231 0.000 0.746 93 E HN 0.409 8.769 8.360 -0.000 0.000 0.452 94 A N 0.894 123.749 122.820 0.059 0.000 2.019 94 A HA -0.152 4.169 4.320 0.002 0.000 0.219 94 A C 2.071 179.664 177.584 0.016 0.000 1.164 94 A CA 1.013 53.071 52.037 0.035 0.000 0.644 94 A CB -0.491 18.530 19.000 0.036 0.000 0.805 94 A HN 0.381 8.531 8.150 -0.000 0.000 0.449 95 L N -0.384 120.845 121.223 0.010 0.000 2.362 95 L HA -0.017 4.323 4.340 0.002 0.000 0.219 95 L C 0.491 177.357 176.870 -0.008 0.000 1.134 95 L CA 1.694 56.532 54.840 -0.002 0.000 0.807 95 L CB -0.649 41.405 42.059 -0.008 0.000 0.927 95 L HN 0.595 8.825 8.230 -0.000 0.000 0.447 96 E N -0.783 119.411 120.200 -0.009 0.000 2.596 96 E HA -0.166 4.185 4.350 0.002 0.000 0.272 96 E C 0.230 176.812 176.600 -0.030 0.000 1.039 96 E CA 0.435 56.824 56.400 -0.019 0.000 0.804 96 E CB -2.544 27.148 29.700 -0.014 0.000 1.373 96 E HN 0.444 8.804 8.360 -0.000 0.000 0.404 97 V N -2.310 117.581 119.914 -0.037 0.000 3.237 97 V HA 0.054 4.175 4.120 0.002 0.000 0.305 97 V C 1.289 177.341 176.094 -0.070 0.000 1.096 97 V CA 0.393 62.669 62.300 -0.040 0.000 1.130 97 V CB 1.111 32.908 31.823 -0.044 0.000 1.048 97 V HN 0.080 8.270 8.190 -0.000 0.000 0.484 98 D N 0.247 120.618 120.400 -0.048 0.000 2.213 98 D HA 0.115 4.756 4.640 0.002 0.000 0.205 98 D C -0.253 175.830 176.300 -0.362 0.000 0.961 98 D CA 1.712 55.630 54.000 -0.138 0.000 0.853 98 D CB 0.233 41.038 40.800 0.008 0.000 0.967 98 D HN 0.713 9.083 8.370 -0.000 0.000 0.496 99 Y N -0.706 119.531 120.300 -0.105 0.000 2.571 99 Y HA 0.427 4.978 4.550 0.002 0.000 0.341 99 Y C -0.403 175.355 175.900 -0.236 0.000 1.076 99 Y CA -0.891 57.115 58.100 -0.157 0.000 1.029 99 Y CB 1.991 40.392 38.460 -0.099 0.000 1.308 99 Y HN -0.338 7.942 8.280 -0.000 0.000 0.461 100 I N 2.076 122.488 120.570 -0.264 0.000 2.404 100 I HA 0.250 4.421 4.170 0.002 0.000 0.293 100 I C -1.023 174.944 176.117 -0.250 0.000 0.992 100 I CA -0.668 60.377 61.300 -0.425 0.000 1.149 100 I CB 1.523 38.937 38.000 -0.977 0.000 1.315 100 I HN 0.530 8.740 8.210 -0.000 0.000 0.446 101 D N 6.482 126.815 120.400 -0.112 0.000 2.412 101 D HA 0.063 4.704 4.640 0.002 0.000 0.224 101 D C -0.234 176.068 176.300 0.003 0.000 1.093 101 D CA -0.262 53.712 54.000 -0.043 0.000 0.850 101 D CB 0.984 41.737 40.800 -0.078 0.000 1.046 101 D HN 0.481 8.851 8.370 -0.000 0.000 0.507 102 E N 2.907 123.175 120.200 0.112 0.000 1.932 102 E HA 0.143 4.494 4.350 0.002 0.000 0.275 102 E C -0.995 175.616 176.600 0.019 0.000 1.159 102 E CA -0.194 56.270 56.400 0.106 0.000 0.905 102 E CB 0.310 30.123 29.700 0.187 0.000 1.059 102 E HN 0.184 8.544 8.360 -0.000 0.000 0.400 103 S N 3.568 119.249 115.700 -0.031 0.000 2.449 103 S HA 0.061 4.532 4.470 0.002 0.000 0.310 103 S C 0.923 175.476 174.600 -0.078 0.000 1.096 103 S CA -0.793 57.372 58.200 -0.059 0.000 1.095 103 S CB 1.212 64.371 63.200 -0.069 0.000 1.007 103 S HN 0.667 8.977 8.310 -0.000 0.000 0.474 104 E N 4.572 124.730 120.200 -0.070 0.000 2.409 104 E HA -0.061 4.289 4.350 0.002 0.000 0.198 104 E C 1.223 177.789 176.600 -0.057 0.000 1.024 104 E CA 0.853 57.205 56.400 -0.079 0.000 0.861 104 E CB -0.392 29.281 29.700 -0.044 0.000 0.788 104 E HN 0.492 8.852 8.360 -0.000 0.000 0.521 105 V N 1.453 121.339 119.914 -0.047 0.000 2.719 105 V HA -0.050 4.071 4.120 0.002 0.000 0.252 105 V C 1.846 177.922 176.094 -0.030 0.000 1.065 105 V CA 0.739 63.022 62.300 -0.028 0.000 1.086 105 V CB -0.500 31.308 31.823 -0.025 0.000 0.700 105 V HN 0.158 8.348 8.190 -0.000 0.000 0.467 106 L N -0.024 121.170 121.223 -0.049 0.000 2.475 106 L HA 0.214 4.555 4.340 0.002 0.000 0.253 106 L C 0.645 177.478 176.870 -0.062 0.000 1.198 106 L CA -0.070 54.740 54.840 -0.050 0.000 0.814 106 L CB 0.105 42.127 42.059 -0.060 0.000 1.134 106 L HN 0.070 8.300 8.230 -0.000 0.000 0.478 107 T N 1.844 116.371 114.554 -0.045 0.000 2.752 107 T HA 0.196 4.547 4.350 0.002 0.000 0.295 107 T C -2.277 172.354 174.700 -0.115 0.000 0.923 107 T CA -0.918 61.160 62.100 -0.037 0.000 1.112 107 T CB 0.560 69.436 68.868 0.014 0.000 0.884 107 T HN 0.293 8.533 8.240 -0.000 0.000 0.525 108 P HA 0.168 4.588 4.420 -0.000 0.000 0.266 108 P C 0.146 177.247 177.300 -0.331 0.000 1.195 108 P CA -0.111 62.694 63.100 -0.491 0.000 0.768 108 P CB 0.551 31.540 31.700 -1.185 0.000 0.838 109 A N 2.178 124.845 122.820 -0.255 0.000 2.063 109 A HA 0.068 4.389 4.320 0.002 0.000 0.211 109 A C 0.625 178.122 177.584 -0.146 0.000 1.177 109 A CA 0.967 52.919 52.037 -0.141 0.000 0.759 109 A CB -0.059 18.884 19.000 -0.094 0.000 0.857 109 A HN 0.492 8.642 8.150 -0.000 0.000 0.468 110 D N -1.963 118.309 120.400 -0.213 0.000 2.476 110 D HA 0.284 4.925 4.640 0.002 0.000 0.251 110 D C -0.607 175.601 176.300 -0.154 0.000 1.291 110 D CA -0.625 53.321 54.000 -0.090 0.000 0.939 110 D CB 0.484 41.280 40.800 -0.006 0.000 1.221 110 D HN 0.289 8.659 8.370 -0.000 0.000 0.567 111 W N 2.236 123.508 121.300 -0.047 0.000 3.077 111 W HA 0.038 4.699 4.660 0.001 0.000 0.245 111 W C 1.738 178.215 176.519 -0.070 0.000 1.316 111 W CA 0.189 57.502 57.345 -0.054 0.000 1.537 111 W CB 0.623 30.059 29.460 -0.038 0.000 1.131 111 W HN 0.332 8.512 8.180 -0.000 0.000 0.695 112 T N -2.652 111.934 114.554 0.053 0.000 3.071 112 T HA 0.076 4.427 4.350 0.002 0.000 0.239 112 T C 0.075 174.601 174.700 -0.290 0.000 0.997 112 T CA 0.500 62.503 62.100 -0.163 0.000 1.134 112 T CB 0.040 68.722 68.868 -0.311 0.000 0.928 112 T HN -0.200 8.040 8.240 -0.000 0.000 0.453 113 H N 1.443 120.563 119.070 0.084 0.000 2.505 113 H HA 0.402 4.959 4.556 0.002 0.000 0.338 113 H C -0.285 175.088 175.328 0.076 0.000 1.057 113 H CA -0.501 55.606 56.048 0.098 0.000 1.202 113 H CB 0.861 30.674 29.762 0.083 0.000 1.466 113 H HN 0.328 8.608 8.280 -0.000 0.000 0.499 114 H N 1.852 120.980 119.070 0.097 0.000 2.534 114 H HA 0.195 4.752 4.556 0.002 0.000 0.364 114 H C 0.776 176.133 175.328 0.047 0.000 1.328 114 H CA -0.475 55.593 56.048 0.033 0.000 1.415 114 H CB 1.652 31.398 29.762 -0.026 0.000 1.573 114 H HN 0.422 8.702 8.280 -0.000 0.000 0.601 115 I N 1.276 121.916 120.570 0.116 0.000 2.752 115 I HA -0.110 4.061 4.170 0.002 0.000 0.287 115 I C 0.688 176.781 176.117 -0.040 0.000 1.188 115 I CA 0.614 61.946 61.300 0.054 0.000 1.427 115 I CB 0.271 38.231 38.000 -0.067 0.000 1.365 115 I HN 0.405 8.615 8.210 -0.000 0.000 0.585 116 E N 6.520 126.721 120.200 0.001 0.000 1.775 116 E HA 0.006 4.357 4.350 0.002 0.000 0.266 116 E C 0.477 177.087 176.600 0.017 0.000 1.191 116 E CA -0.042 56.345 56.400 -0.022 0.000 1.048 116 E CB 0.248 29.919 29.700 -0.049 0.000 1.081 116 E HN 0.437 8.797 8.360 -0.000 0.000 0.434 117 K N 1.223 121.519 120.400 -0.174 0.000 2.288 117 K HA -0.123 4.198 4.320 0.002 0.000 0.201 117 K C 1.232 177.862 176.600 0.049 0.000 1.048 117 K CA 1.077 57.159 56.287 -0.342 0.000 0.956 117 K CB 0.141 32.199 32.500 -0.736 0.000 0.746 117 K HN 0.370 8.620 8.250 -0.000 0.000 0.461 118 D N 0.850 121.274 120.400 0.039 0.000 2.378 118 D HA -0.132 4.509 4.640 0.002 0.000 0.227 118 D C 0.843 177.193 176.300 0.083 0.000 1.012 118 D CA 0.742 54.782 54.000 0.067 0.000 0.905 118 D CB -0.006 40.806 40.800 0.020 0.000 0.895 118 D HN 0.073 8.443 8.370 -0.000 0.000 0.532 119 K N -0.559 119.908 120.400 0.111 0.000 2.404 119 K HA 0.144 4.465 4.320 0.002 0.000 0.194 119 K C -0.223 176.307 176.600 -0.116 0.000 1.023 119 K CA -0.078 56.191 56.287 -0.029 0.000 1.094 119 K CB 0.303 32.720 32.500 -0.139 0.000 0.841 119 K HN 0.160 8.410 8.250 -0.000 0.000 0.523 120 F N 0.333 120.327 119.950 0.072 0.000 2.507 120 F HA 0.262 4.790 4.527 0.002 0.000 0.327 120 F C 1.456 177.313 175.800 0.096 0.000 1.068 120 F CA -0.932 57.146 58.000 0.129 0.000 0.965 120 F CB 1.443 40.627 39.000 0.307 0.000 1.192 120 F HN -0.380 7.920 8.300 -0.000 0.000 0.476 121 K N 0.671 121.215 120.400 0.240 0.000 2.166 121 K HA 0.088 4.409 4.320 0.002 0.000 0.201 121 K C 0.250 176.914 176.600 0.108 0.000 1.052 121 K CA 0.473 56.837 56.287 0.129 0.000 0.969 121 K CB 0.256 32.795 32.500 0.064 0.000 0.761 121 K HN 0.372 8.622 8.250 -0.000 0.000 0.459 122 V N 4.649 124.637 119.914 0.123 0.000 2.637 122 V HA 0.085 4.206 4.120 0.002 0.000 0.296 122 V C -2.275 173.812 176.094 -0.012 0.000 1.046 122 V CA -1.706 60.580 62.300 -0.024 0.000 1.066 122 V CB 0.887 32.652 31.823 -0.097 0.000 0.968 122 V HN 0.092 8.282 8.190 -0.000 0.000 0.483 123 P HA 0.287 4.707 4.420 -0.000 0.000 0.275 123 P C -1.211 176.107 177.300 0.029 0.000 1.228 123 P CA -0.018 63.100 63.100 0.029 0.000 0.786 123 P CB 0.562 32.241 31.700 -0.035 0.000 0.927 124 F N 0.337 120.312 119.950 0.043 0.000 2.492 124 F HA 0.421 4.949 4.527 0.001 0.000 0.327 124 F C 0.421 176.247 175.800 0.043 0.000 1.079 124 F CA -0.929 57.085 58.000 0.023 0.000 0.967 124 F CB 2.124 41.099 39.000 -0.042 0.000 1.169 124 F HN 0.029 8.329 8.300 -0.000 0.000 0.472 125 V N 3.284 123.307 119.914 0.182 0.000 2.513 125 V HA 0.644 4.765 4.120 0.002 0.000 0.299 125 V C -1.105 175.023 176.094 0.057 0.000 1.035 125 V CA -0.426 61.917 62.300 0.072 0.000 0.889 125 V CB 1.124 32.934 31.823 -0.022 0.000 0.988 125 V HN 0.900 9.090 8.190 -0.000 0.000 0.440 126 C N 4.416 123.727 119.300 0.019 0.000 2.707 126 C HA 0.845 5.306 4.460 0.002 0.000 0.313 126 C C 0.716 175.683 174.990 -0.039 0.000 1.209 126 C CA -0.565 58.454 59.018 0.002 0.000 1.635 126 C CB 1.352 29.097 27.740 0.007 0.000 2.206 126 C HN 1.138 9.368 8.230 -0.000 0.000 0.485 127 G N 0.655 109.429 108.800 -0.043 0.000 2.476 127 G HA2 0.673 4.634 3.960 0.002 0.000 0.286 127 G HA3 0.673 4.634 3.960 0.002 0.000 0.286 127 G C -0.774 174.094 174.900 -0.053 0.000 1.177 127 G CA 0.050 45.121 45.100 -0.049 0.000 0.870 127 G HN 1.368 9.658 8.290 -0.000 0.000 0.528 128 A N 0.855 123.635 122.820 -0.065 0.000 2.547 128 A HA 0.644 4.965 4.320 0.002 0.000 0.297 128 A C 0.349 177.812 177.584 -0.203 0.000 1.056 128 A CA -0.509 51.464 52.037 -0.105 0.000 0.688 128 A CB 1.512 20.471 19.000 -0.069 0.000 1.282 128 A HN 0.831 8.981 8.150 -0.000 0.000 0.400 129 K N 0.212 120.426 120.400 -0.309 0.000 2.360 129 K HA 0.319 4.640 4.320 0.002 0.000 0.196 129 K C -0.292 176.164 176.600 -0.240 0.000 1.049 129 K CA 0.820 56.752 56.287 -0.592 0.000 1.049 129 K CB 0.264 32.327 32.500 -0.728 0.000 0.881 129 K HN 0.698 8.948 8.250 -0.000 0.000 0.542 130 D N -0.821 119.505 120.400 -0.124 0.000 2.692 130 D HA 0.005 4.646 4.640 0.002 0.000 0.303 130 D C 0.397 176.674 176.300 -0.037 0.000 1.278 130 D CA -0.873 53.096 54.000 -0.052 0.000 0.852 130 D CB 0.486 41.264 40.800 -0.037 0.000 1.375 130 D HN -0.098 8.272 8.370 -0.000 0.000 0.453 131 L N 0.758 121.969 121.223 -0.019 0.000 2.027 131 L HA 0.210 4.551 4.340 0.002 0.000 0.206 131 L C 2.171 179.027 176.870 -0.023 0.000 1.074 131 L CA 2.710 57.541 54.840 -0.015 0.000 0.745 131 L CB -1.049 41.006 42.059 -0.006 0.000 0.898 131 L HN 0.720 8.950 8.230 -0.000 0.000 0.433 132 G N -1.149 107.636 108.800 -0.025 0.000 2.476 132 G HA2 -0.349 3.612 3.960 0.002 0.000 0.218 132 G HA3 -0.349 3.612 3.960 0.002 0.000 0.218 132 G C 1.520 176.394 174.900 -0.044 0.000 1.164 132 G CA 0.914 45.997 45.100 -0.029 0.000 0.768 132 G HN 0.522 8.812 8.290 -0.000 0.000 0.560 133 E N 0.221 120.388 120.200 -0.055 0.000 2.051 133 E HA -0.066 4.285 4.350 0.002 0.000 0.192 133 E C 2.895 179.446 176.600 -0.082 0.000 0.991 133 E CA 0.958 57.311 56.400 -0.079 0.000 0.799 133 E CB -0.237 29.411 29.700 -0.086 0.000 0.748 133 E HN 0.359 8.719 8.360 -0.000 0.000 0.449 134 A N 0.866 123.650 122.820 -0.060 0.000 1.883 134 A HA -0.200 4.120 4.320 0.002 0.000 0.217 134 A C 2.173 179.731 177.584 -0.043 0.000 1.186 134 A CA 1.337 53.347 52.037 -0.045 0.000 0.624 134 A CB -0.715 18.272 19.000 -0.023 0.000 0.822 134 A HN 0.281 8.431 8.150 -0.000 0.000 0.444 135 L N -1.436 119.765 121.223 -0.038 0.000 2.093 135 L HA -0.145 4.196 4.340 0.002 0.000 0.208 135 L C 2.862 179.705 176.870 -0.045 0.000 1.085 135 L CA 1.171 55.991 54.840 -0.032 0.000 0.755 135 L CB -0.534 41.512 42.059 -0.022 0.000 0.904 135 L HN 0.383 8.613 8.230 -0.000 0.000 0.435 136 R N -0.302 120.159 120.500 -0.064 0.000 2.081 136 R HA -0.099 4.241 4.340 0.002 0.000 0.235 136 R C 2.467 178.700 176.300 -0.111 0.000 1.131 136 R CA 0.927 56.977 56.100 -0.084 0.000 0.960 136 R CB -0.213 30.025 30.300 -0.103 0.000 0.856 136 R HN 0.280 8.550 8.270 -0.000 0.000 0.436 137 R N 0.751 121.172 120.500 -0.132 0.000 2.081 137 R HA -0.068 4.273 4.340 0.002 0.000 0.235 137 R C 2.259 178.512 176.300 -0.078 0.000 1.131 137 R CA 1.208 57.227 56.100 -0.135 0.000 0.960 137 R CB -0.648 29.577 30.300 -0.125 0.000 0.856 137 R HN 0.311 8.581 8.270 -0.000 0.000 0.436 138 I N 1.237 121.777 120.570 -0.050 0.000 2.226 138 I HA -0.272 3.899 4.170 0.002 0.000 0.245 138 I C 2.164 178.264 176.117 -0.027 0.000 1.100 138 I CA 1.264 62.549 61.300 -0.025 0.000 1.374 138 I CB -0.377 37.617 38.000 -0.011 0.000 1.057 138 I HN 0.134 8.344 8.210 -0.000 0.000 0.413 139 N N 1.157 119.837 118.700 -0.034 0.000 2.223 139 N HA -0.212 4.529 4.740 0.002 0.000 0.185 139 N C 1.663 177.152 175.510 -0.035 0.000 1.016 139 N CA 1.466 54.499 53.050 -0.029 0.000 0.863 139 N CB -0.019 38.451 38.487 -0.028 0.000 0.983 139 N HN 0.341 8.721 8.380 -0.000 0.000 0.429 140 E N -1.721 118.447 120.200 -0.053 0.000 2.274 140 E HA 0.094 4.445 4.350 0.002 0.000 0.194 140 E C 0.839 177.395 176.600 -0.073 0.000 0.996 140 E CA 0.698 57.060 56.400 -0.063 0.000 0.840 140 E CB 0.058 29.707 29.700 -0.085 0.000 0.772 140 E HN 0.505 8.865 8.360 -0.000 0.000 0.491 141 G N 0.224 108.989 108.800 -0.058 0.000 2.234 141 G HA2 -0.124 3.837 3.960 0.002 0.000 0.153 141 G HA3 -0.124 3.837 3.960 0.002 0.000 0.153 141 G C 0.218 175.111 174.900 -0.012 0.000 1.013 141 G CA -0.298 44.781 45.100 -0.035 0.000 0.712 141 G HN 0.396 8.686 8.290 -0.000 0.000 0.491 142 A N 0.380 123.188 122.820 -0.020 0.000 2.498 142 A HA 0.714 5.035 4.320 0.002 0.000 0.239 142 A C 1.585 179.212 177.584 0.072 0.000 1.068 142 A CA 1.282 53.344 52.037 0.041 0.000 0.766 142 A CB 0.697 19.709 19.000 0.019 0.000 1.003 142 A HN 1.673 9.823 8.150 -0.000 0.000 0.497 143 A N 2.503 125.395 122.820 0.121 0.000 2.044 143 A HA 0.448 4.769 4.320 0.002 0.000 0.213 143 A C 0.818 178.452 177.584 0.082 0.000 1.169 143 A CA 0.764 52.866 52.037 0.109 0.000 0.724 143 A CB -0.044 19.045 19.000 0.149 0.000 0.840 143 A HN 0.796 8.946 8.150 -0.000 0.000 0.463 144 M N 0.141 119.780 119.600 0.066 0.000 2.501 144 M HA 0.489 4.970 4.480 0.002 0.000 0.293 144 M C -1.574 174.738 176.300 0.020 0.000 1.192 144 M CA -0.424 54.884 55.300 0.014 0.000 0.886 144 M CB 2.384 34.934 32.600 -0.084 0.000 1.710 144 M HN -0.072 8.218 8.290 -0.000 0.000 0.457 145 I N 1.914 122.505 120.570 0.035 0.000 2.693 145 I HA 0.649 4.820 4.170 0.002 0.000 0.303 145 I C -0.403 175.760 176.117 0.076 0.000 1.025 145 I CA -0.589 60.733 61.300 0.037 0.000 1.086 145 I CB 2.062 40.085 38.000 0.038 0.000 1.268 145 I HN 0.775 8.985 8.210 -0.000 0.000 0.440 146 R N 0.805 121.330 120.500 0.041 0.000 2.774 146 R HA 0.650 4.991 4.340 0.002 0.000 0.272 146 R C -0.560 175.772 176.300 0.054 0.000 1.000 146 R CA -0.761 55.387 56.100 0.080 0.000 0.906 146 R CB 1.243 31.514 30.300 -0.049 0.000 1.227 146 R HN 0.626 8.896 8.270 -0.000 0.000 0.468 147 T N -0.943 113.672 114.554 0.102 0.000 2.856 147 T HA 0.169 4.520 4.350 0.002 0.000 0.306 147 T C 0.645 175.422 174.700 0.128 0.000 1.062 147 T CA -0.462 61.727 62.100 0.148 0.000 1.083 147 T CB 1.072 70.050 68.868 0.184 0.000 0.984 147 T HN 0.701 8.941 8.240 -0.000 0.000 0.542 148 K N 1.225 121.771 120.400 0.243 0.000 2.067 148 K HA 0.295 4.616 4.320 0.002 0.000 0.203 148 K C 1.595 178.302 176.600 0.178 0.000 1.048 148 K CA 0.633 57.018 56.287 0.164 0.000 0.954 148 K CB -0.852 31.712 32.500 0.106 0.000 0.737 148 K HN 0.996 9.246 8.250 -0.000 0.000 0.444 149 G N 1.664 110.598 108.800 0.224 0.000 2.575 149 G HA2 -0.306 3.655 3.960 0.002 0.000 0.267 149 G HA3 -0.306 3.655 3.960 0.002 0.000 0.267 149 G C -0.623 174.297 174.900 0.034 0.000 1.264 149 G CA 0.191 45.289 45.100 -0.003 0.000 0.935 149 G HN 0.311 8.601 8.290 -0.000 0.000 0.568 150 E N -0.024 120.180 120.200 0.006 0.000 2.460 150 E HA 0.644 4.995 4.350 0.002 0.000 0.249 150 E C 0.359 176.970 176.600 0.018 0.000 0.962 150 E CA 0.422 56.833 56.400 0.019 0.000 0.787 150 E CB 0.587 30.292 29.700 0.009 0.000 1.341 150 E HN 1.292 9.652 8.360 -0.000 0.000 0.407 151 A N 2.277 125.110 122.820 0.023 0.000 2.488 151 A HA 0.507 4.828 4.320 0.002 0.000 0.249 151 A C 1.423 179.020 177.584 0.022 0.000 1.083 151 A CA 0.670 52.719 52.037 0.021 0.000 0.768 151 A CB -0.187 18.822 19.000 0.015 0.000 1.017 151 A HN 1.220 9.370 8.150 -0.000 0.000 0.496 152 G N 1.528 110.343 108.800 0.024 0.000 2.184 152 G HA2 -0.319 3.642 3.960 0.002 0.000 0.264 152 G HA3 -0.319 3.642 3.960 0.002 0.000 0.264 152 G C 0.995 175.907 174.900 0.020 0.000 0.975 152 G CA 1.581 46.695 45.100 0.025 0.000 0.642 152 G HN 2.009 10.299 8.290 -0.000 0.000 0.536 153 T N -2.332 112.232 114.554 0.016 0.000 3.057 153 T HA 0.422 4.773 4.350 0.002 0.000 0.254 153 T C 2.449 177.155 174.700 0.009 0.000 1.094 153 T CA 1.570 63.678 62.100 0.012 0.000 1.088 153 T CB 0.189 69.062 68.868 0.009 0.000 0.934 153 T HN 2.167 10.407 8.240 -0.000 0.000 0.497 154 G N 1.569 110.375 108.800 0.010 0.000 2.168 154 G HA2 -0.238 3.723 3.960 0.002 0.000 0.257 154 G HA3 -0.238 3.723 3.960 0.002 0.000 0.257 154 G C -0.238 174.662 174.900 0.001 0.000 0.997 154 G CA 0.273 45.377 45.100 0.007 0.000 0.708 154 G HN 0.729 9.019 8.290 -0.000 0.000 0.520 155 D N -0.095 120.304 120.400 -0.003 0.000 2.373 155 D HA 0.456 5.097 4.640 0.002 0.000 0.227 155 D C 1.201 177.490 176.300 -0.020 0.000 1.091 155 D CA -0.186 53.808 54.000 -0.010 0.000 0.840 155 D CB 1.392 42.186 40.800 -0.010 0.000 1.060 155 D HN 0.052 8.422 8.370 -0.000 0.000 0.502 156 V N 3.803 123.705 119.914 -0.021 0.000 2.970 156 V HA -0.157 3.964 4.120 0.002 0.000 0.260 156 V C 2.105 178.169 176.094 -0.050 0.000 1.100 156 V CA 2.133 64.415 62.300 -0.029 0.000 1.122 156 V CB -0.380 31.431 31.823 -0.020 0.000 0.721 156 V HN 0.693 8.883 8.190 -0.000 0.000 0.483 157 S N -0.810 114.860 115.700 -0.049 0.000 2.400 157 S HA -0.207 4.264 4.470 0.002 0.000 0.232 157 S C 1.808 176.341 174.600 -0.112 0.000 1.025 157 S CA 1.426 59.590 58.200 -0.061 0.000 0.993 157 S CB -0.384 62.791 63.200 -0.042 0.000 0.808 157 S HN 0.669 8.979 8.310 -0.000 0.000 0.478 158 E N 1.688 121.801 120.200 -0.145 0.000 2.107 158 E HA 0.092 4.443 4.350 0.002 0.000 0.191 158 E C 2.459 178.751 176.600 -0.513 0.000 0.982 158 E CA 1.099 57.321 56.400 -0.296 0.000 0.809 158 E CB -0.680 28.889 29.700 -0.219 0.000 0.756 158 E HN 0.672 9.032 8.360 -0.000 0.000 0.459 159 A N 0.957 123.615 122.820 -0.270 0.000 1.902 159 A HA -0.134 4.187 4.320 0.002 0.000 0.217 159 A C 2.593 180.105 177.584 -0.121 0.000 1.181 159 A CA 1.365 53.299 52.037 -0.171 0.000 0.623 159 A CB -0.680 18.288 19.000 -0.053 0.000 0.818 159 A HN 0.127 8.277 8.150 -0.000 0.000 0.443 160 V N 0.466 120.319 119.914 -0.102 0.000 2.287 160 V HA -0.309 3.812 4.120 0.002 0.000 0.248 160 V C 2.561 178.624 176.094 -0.052 0.000 1.053 160 V CA 2.449 64.714 62.300 -0.059 0.000 1.027 160 V CB -0.684 31.111 31.823 -0.047 0.000 0.646 160 V HN 0.703 8.893 8.190 -0.000 0.000 0.447 161 K N -0.566 119.774 120.400 -0.100 0.000 2.063 161 K HA -0.243 4.078 4.320 0.002 0.000 0.208 161 K C 2.094 178.735 176.600 0.068 0.000 1.048 161 K CA 2.197 58.459 56.287 -0.041 0.000 0.928 161 K CB -0.286 32.172 32.500 -0.070 0.000 0.713 161 K HN 0.695 8.945 8.250 -0.000 0.000 0.442 162 H N -0.564 118.510 119.070 0.007 0.000 2.357 162 H HA -0.101 4.456 4.556 0.001 0.000 0.301 162 H C 2.185 177.518 175.328 0.007 0.000 1.082 162 H CA 0.951 57.003 56.048 0.008 0.000 1.342 162 H CB 0.059 29.826 29.762 0.009 0.000 1.389 162 H HN 0.166 8.446 8.280 -0.000 0.000 0.511 163 I N 1.165 121.807 120.570 0.120 0.000 2.226 163 I HA -0.222 3.949 4.170 0.002 0.000 0.245 163 I C 2.188 178.332 176.117 0.044 0.000 1.100 163 I CA 1.217 62.555 61.300 0.064 0.000 1.374 163 I CB -0.140 37.880 38.000 0.032 0.000 1.057 163 I HN 0.075 8.285 8.210 -0.000 0.000 0.413 164 R N 0.086 120.609 120.500 0.038 0.000 2.081 164 R HA -0.182 4.159 4.340 0.002 0.000 0.235 164 R C 2.422 178.743 176.300 0.035 0.000 1.131 164 R CA 1.388 57.505 56.100 0.028 0.000 0.960 164 R CB -0.858 29.454 30.300 0.020 0.000 0.856 164 R HN 0.298 8.568 8.270 -0.000 0.000 0.436 165 R N 1.056 121.587 120.500 0.052 0.000 2.070 165 R HA -0.033 4.308 4.340 0.002 0.000 0.233 165 R C 2.322 178.641 176.300 0.032 0.000 1.137 165 R CA 1.371 57.499 56.100 0.047 0.000 0.945 165 R CB -0.640 29.700 30.300 0.066 0.000 0.845 165 R HN 0.175 8.445 8.270 -0.000 0.000 0.430 166 I N -0.212 120.379 120.570 0.035 0.000 2.163 166 I HA -0.325 3.846 4.170 0.002 0.000 0.243 166 I C 1.930 178.058 176.117 0.019 0.000 1.085 166 I CA 1.923 63.236 61.300 0.023 0.000 1.347 166 I CB -0.503 37.512 38.000 0.025 0.000 1.044 166 I HN 0.278 8.488 8.210 -0.000 0.000 0.408 167 T N -0.167 114.399 114.554 0.021 0.000 2.746 167 T HA -0.249 4.102 4.350 0.002 0.000 0.267 167 T C 1.811 176.520 174.700 0.014 0.000 1.039 167 T CA 1.682 63.791 62.100 0.016 0.000 1.142 167 T CB -0.296 68.581 68.868 0.014 0.000 0.866 167 T HN 0.473 8.713 8.240 -0.000 0.000 0.444 168 E N 1.047 121.256 120.200 0.016 0.000 2.077 168 E HA -0.195 4.155 4.350 0.002 0.000 0.193 168 E C 2.029 178.636 176.600 0.012 0.000 0.989 168 E CA 1.185 57.593 56.400 0.014 0.000 0.800 168 E CB -0.016 29.694 29.700 0.015 0.000 0.746 168 E HN 0.587 8.947 8.360 -0.000 0.000 0.452 169 E N 0.252 120.459 120.200 0.012 0.000 2.107 169 E HA -0.126 4.225 4.350 0.002 0.000 0.191 169 E C 2.244 178.848 176.600 0.007 0.000 0.982 169 E CA 0.824 57.229 56.400 0.008 0.000 0.809 169 E CB -0.019 29.686 29.700 0.007 0.000 0.756 169 E HN 0.380 8.740 8.360 -0.000 0.000 0.459 170 I N 1.476 122.051 120.570 0.008 0.000 2.179 170 I HA -0.306 3.865 4.170 0.002 0.000 0.242 170 I C 2.648 178.769 176.117 0.008 0.000 1.088 170 I CA 1.232 62.536 61.300 0.008 0.000 1.357 170 I CB -0.225 37.781 38.000 0.009 0.000 1.051 170 I HN 0.020 8.230 8.210 -0.000 0.000 0.409 171 K N 1.270 121.675 120.400 0.008 0.000 2.057 171 K HA -0.206 4.115 4.320 0.002 0.000 0.207 171 K C 2.196 178.800 176.600 0.007 0.000 1.049 171 K CA 1.550 57.842 56.287 0.008 0.000 0.931 171 K CB -0.113 32.392 32.500 0.009 0.000 0.714 171 K HN 0.305 8.555 8.250 -0.000 0.000 0.440 172 A N 0.789 123.613 122.820 0.007 0.000 1.902 172 A HA -0.179 4.142 4.320 0.002 0.000 0.217 172 A C 2.401 179.988 177.584 0.005 0.000 1.181 172 A CA 1.704 53.745 52.037 0.006 0.000 0.623 172 A CB -0.961 18.043 19.000 0.006 0.000 0.818 172 A HN 0.570 8.720 8.150 -0.000 0.000 0.443 173 C N -0.824 118.479 119.300 0.005 0.000 2.432 173 C HA -0.063 4.398 4.460 0.002 0.000 0.280 173 C C 2.718 177.711 174.990 0.004 0.000 1.353 173 C CA 0.946 59.967 59.018 0.004 0.000 1.766 173 C CB -1.390 26.352 27.740 0.004 0.000 1.924 173 C HN 0.648 8.878 8.230 -0.000 0.000 0.509 174 Q N 0.142 119.945 119.800 0.005 0.000 2.364 174 Q HA -0.157 4.184 4.340 0.002 0.000 0.207 174 Q C 2.056 178.059 176.000 0.005 0.000 0.970 174 Q CA 0.930 56.736 55.803 0.005 0.000 0.888 174 Q CB -0.051 28.691 28.738 0.006 0.000 0.951 174 Q HN 0.679 8.949 8.270 -0.000 0.000 0.469 175 Q N -0.075 119.728 119.800 0.005 0.000 2.389 175 Q HA 0.071 4.412 4.340 0.002 0.000 0.204 175 Q C 0.397 176.400 176.000 0.004 0.000 0.944 175 Q CA 0.366 56.172 55.803 0.004 0.000 0.908 175 Q CB 0.088 28.828 28.738 0.005 0.000 1.002 175 Q HN 0.382 8.652 8.270 -0.000 0.000 0.493 176 L N 1.617 122.842 121.223 0.004 0.000 2.462 176 L HA -0.007 4.334 4.340 0.002 0.000 0.272 176 L C 1.334 178.206 176.870 0.003 0.000 1.166 176 L CA -0.121 54.721 54.840 0.003 0.000 0.880 176 L CB 0.350 42.411 42.059 0.003 0.000 1.142 176 L HN -0.187 8.043 8.230 -0.000 0.000 0.473 177 K N 1.016 121.418 120.400 0.003 0.000 2.284 177 K HA 0.047 4.368 4.320 0.002 0.000 0.198 177 K C 0.737 177.338 176.600 0.003 0.000 1.048 177 K CA 0.279 56.568 56.287 0.003 0.000 0.987 177 K CB 0.314 32.816 32.500 0.003 0.000 0.800 177 K HN 0.497 8.747 8.250 -0.000 0.000 0.486 178 S N 0.944 116.646 115.700 0.002 0.000 2.475 178 S HA 0.105 4.576 4.470 0.002 0.000 0.281 178 S C 0.733 175.334 174.600 0.002 0.000 1.198 178 S CA -0.495 57.706 58.200 0.002 0.000 1.063 178 S CB 0.700 63.901 63.200 0.002 0.000 0.972 178 S HN 0.085 8.395 8.310 -0.000 0.000 0.486 179 E N 3.392 123.594 120.200 0.002 0.000 2.204 179 E HA -0.117 4.234 4.350 0.002 0.000 0.195 179 E C 0.931 177.532 176.600 0.001 0.000 0.990 179 E CA 1.019 57.420 56.400 0.002 0.000 0.821 179 E CB -0.085 29.616 29.700 0.002 0.000 0.750 179 E HN 0.717 9.077 8.360 -0.000 0.000 0.477 180 D N 1.025 121.426 120.400 0.001 0.000 2.144 180 D HA -0.124 4.517 4.640 0.002 0.000 0.200 180 D C 1.415 177.715 176.300 0.001 0.000 0.978 180 D CA 0.819 54.820 54.000 0.001 0.000 0.833 180 D CB -0.119 40.681 40.800 0.001 0.000 0.961 180 D HN 0.110 8.480 8.370 -0.000 0.000 0.470 181 D N 0.290 120.690 120.400 0.001 0.000 2.144 181 D HA -0.053 4.588 4.640 0.002 0.000 0.200 181 D C 2.285 178.585 176.300 0.001 0.000 0.978 181 D CA 0.306 54.307 54.000 0.001 0.000 0.833 181 D CB -0.159 40.642 40.800 0.002 0.000 0.961 181 D HN 0.270 8.640 8.370 -0.000 0.000 0.470 182 I N 1.032 121.603 120.570 0.001 0.000 2.226 182 I HA -0.251 3.920 4.170 0.002 0.000 0.245 182 I C 2.437 178.554 176.117 0.001 0.000 1.100 182 I CA 1.029 62.330 61.300 0.001 0.000 1.374 182 I CB -0.217 37.784 38.000 0.002 0.000 1.057 182 I HN -0.078 8.132 8.210 -0.000 0.000 0.413 183 A N 0.638 123.458 122.820 0.001 0.000 1.933 183 A HA -0.265 4.056 4.320 0.002 0.000 0.218 183 A C 2.344 179.928 177.584 0.000 0.000 1.175 183 A CA 1.961 53.998 52.037 0.000 0.000 0.628 183 A CB -0.491 18.509 19.000 0.000 0.000 0.814 183 A HN 0.346 8.496 8.150 -0.000 0.000 0.444 184 K N -0.407 119.993 120.400 0.000 0.000 2.097 184 K HA -0.061 4.260 4.320 0.002 0.000 0.205 184 K C 1.727 178.326 176.600 -0.000 0.000 1.050 184 K CA 1.433 57.720 56.287 0.000 0.000 0.938 184 K CB -0.235 32.265 32.500 0.001 0.000 0.718 184 K HN 0.213 8.463 8.250 -0.000 0.000 0.442 185 V N 1.089 121.003 119.914 -0.000 0.000 2.295 185 V HA -0.247 3.874 4.120 0.002 0.000 0.246 185 V C 2.365 178.458 176.094 -0.002 0.000 1.049 185 V CA 2.011 64.310 62.300 -0.001 0.000 1.024 185 V CB -0.754 31.069 31.823 -0.001 0.000 0.648 185 V HN 0.494 8.684 8.190 -0.000 0.000 0.447 186 A N -0.450 122.369 122.820 -0.002 0.000 1.933 186 A HA -0.276 4.045 4.320 0.002 0.000 0.218 186 A C 2.292 179.874 177.584 -0.003 0.000 1.175 186 A CA 1.996 54.031 52.037 -0.003 0.000 0.628 186 A CB -0.502 18.496 19.000 -0.003 0.000 0.814 186 A HN 0.641 8.791 8.150 -0.000 0.000 0.444 187 E N -0.075 120.124 120.200 -0.002 0.000 2.077 187 E HA -0.225 4.126 4.350 0.002 0.000 0.193 187 E C 1.871 178.470 176.600 -0.001 0.000 0.989 187 E CA 1.369 57.768 56.400 -0.001 0.000 0.800 187 E CB -0.146 29.554 29.700 -0.000 0.000 0.746 187 E HN 0.750 9.110 8.360 -0.000 0.000 0.452 188 E N -0.108 120.091 120.200 -0.002 0.000 2.110 188 E HA -0.173 4.178 4.350 0.002 0.000 0.193 188 E C 2.030 178.627 176.600 -0.004 0.000 0.988 188 E CA 1.200 57.599 56.400 -0.002 0.000 0.804 188 E CB -0.058 29.641 29.700 -0.002 0.000 0.745 188 E HN 0.388 8.748 8.360 -0.000 0.000 0.458 189 M N -0.267 119.330 119.600 -0.006 0.000 2.562 189 M HA 0.042 4.523 4.480 0.002 0.000 0.257 189 M C -0.038 176.254 176.300 -0.013 0.000 1.099 189 M CA 0.579 55.872 55.300 -0.011 0.000 1.099 189 M CB 0.178 32.770 32.600 -0.013 0.000 1.427 189 M HN -0.059 8.231 8.290 -0.000 0.000 0.489 190 R N -0.051 120.445 120.500 -0.008 0.000 3.423 190 R HA -0.110 4.231 4.340 0.002 0.000 0.271 190 R C -0.906 175.388 176.300 -0.009 0.000 1.093 190 R CA 0.479 56.576 56.100 -0.006 0.000 0.730 190 R CB -2.702 27.596 30.300 -0.003 0.000 1.190 190 R HN 0.419 8.689 8.270 -0.000 0.000 0.437 191 V N -3.728 116.180 119.914 -0.010 0.000 3.040 191 V HA 0.809 4.930 4.120 0.002 0.000 0.312 191 V C -2.410 173.680 176.094 -0.007 0.000 1.115 191 V CA -2.680 59.613 62.300 -0.011 0.000 0.998 191 V CB 2.295 34.109 31.823 -0.015 0.000 1.042 191 V HN -0.138 8.052 8.190 -0.000 0.000 0.433 192 P HA 0.219 4.639 4.420 -0.000 0.000 0.271 192 P C 0.783 178.081 177.300 -0.003 0.000 1.216 192 P CA 0.023 63.121 63.100 -0.004 0.000 0.776 192 P CB 1.302 32.999 31.700 -0.004 0.000 0.881 193 V N 2.713 122.625 119.914 -0.002 0.000 2.469 193 V HA -0.246 3.875 4.120 0.002 0.000 0.251 193 V C 2.075 178.169 176.094 -0.000 0.000 1.064 193 V CA 2.780 65.080 62.300 -0.001 0.000 1.066 193 V CB -1.076 30.747 31.823 -0.000 0.000 0.667 193 V HN 0.755 8.945 8.190 -0.000 0.000 0.461 194 S N -0.143 115.557 115.700 -0.000 0.000 2.383 194 S HA -0.221 4.250 4.470 0.002 0.000 0.229 194 S C 1.931 176.532 174.600 0.001 0.000 1.030 194 S CA 1.808 60.008 58.200 0.001 0.000 1.002 194 S CB -0.654 62.546 63.200 0.001 0.000 0.829 194 S HN 0.511 8.821 8.310 -0.000 0.000 0.467 195 L N 0.900 122.123 121.223 -0.000 0.000 2.027 195 L HA 0.195 4.536 4.340 0.002 0.000 0.206 195 L C 2.275 179.145 176.870 0.001 0.000 1.074 195 L CA 1.480 56.320 54.840 0.000 0.000 0.745 195 L CB -0.978 41.080 42.059 -0.003 0.000 0.898 195 L HN 0.392 8.622 8.230 -0.000 0.000 0.433 196 L N -0.335 120.887 121.223 -0.001 0.000 2.046 196 L HA -0.195 4.146 4.340 0.002 0.000 0.208 196 L C 2.459 179.330 176.870 0.002 0.000 1.077 196 L CA 1.808 56.648 54.840 -0.000 0.000 0.747 196 L CB -0.714 41.344 42.059 -0.001 0.000 0.896 196 L HN 0.242 8.472 8.230 -0.000 0.000 0.432 197 K N -0.564 119.837 120.400 0.002 0.000 2.063 197 K HA -0.246 4.075 4.320 0.002 0.000 0.208 197 K C 1.890 178.493 176.600 0.005 0.000 1.048 197 K CA 1.802 58.091 56.287 0.003 0.000 0.928 197 K CB -0.346 32.156 32.500 0.003 0.000 0.713 197 K HN 0.431 8.681 8.250 -0.000 0.000 0.442 198 D N 0.256 120.659 120.400 0.005 0.000 2.123 198 D HA -0.151 4.490 4.640 0.002 0.000 0.196 198 D C 1.684 177.989 176.300 0.008 0.000 0.992 198 D CA 0.997 55.001 54.000 0.007 0.000 0.833 198 D CB 0.164 40.969 40.800 0.008 0.000 0.954 198 D HN -0.095 8.275 8.370 -0.000 0.000 0.455 199 V N 0.449 120.367 119.914 0.008 0.000 2.343 199 V HA -0.210 3.911 4.120 0.002 0.000 0.247 199 V C 2.483 178.582 176.094 0.008 0.000 1.051 199 V CA 1.258 63.563 62.300 0.009 0.000 1.036 199 V CB -0.466 31.361 31.823 0.007 0.000 0.654 199 V HN 0.353 8.543 8.190 -0.000 0.000 0.451 200 L N -0.540 120.687 121.223 0.007 0.000 2.217 200 L HA -0.116 4.225 4.340 0.002 0.000 0.211 200 L C 2.467 179.342 176.870 0.007 0.000 1.107 200 L CA 1.287 56.131 54.840 0.007 0.000 0.783 200 L CB -0.592 41.470 42.059 0.005 0.000 0.919 200 L HN 0.395 8.625 8.230 -0.000 0.000 0.442 201 E N 0.535 120.740 120.200 0.007 0.000 2.046 201 E HA -0.156 4.195 4.350 0.002 0.000 0.190 201 E C 1.889 178.494 176.600 0.009 0.000 0.982 201 E CA 0.978 57.382 56.400 0.008 0.000 0.800 201 E CB 0.115 29.820 29.700 0.008 0.000 0.756 201 E HN 0.409 8.769 8.360 -0.000 0.000 0.449 202 K N -0.664 119.742 120.400 0.010 0.000 2.379 202 K HA 0.113 4.434 4.320 0.002 0.000 0.194 202 K C 0.903 177.511 176.600 0.013 0.000 1.031 202 K CA 0.526 56.820 56.287 0.012 0.000 1.037 202 K CB 0.908 33.416 32.500 0.014 0.000 0.824 202 K HN 0.230 8.480 8.250 -0.000 0.000 0.516 203 G N 3.076 111.883 108.800 0.012 0.000 2.176 203 G HA2 -0.321 3.639 3.960 0.002 0.000 0.252 203 G HA3 -0.321 3.639 3.960 0.002 0.000 0.252 203 G C -0.247 174.662 174.900 0.013 0.000 1.024 203 G CA 1.148 46.255 45.100 0.012 0.000 0.755 203 G HN 0.446 8.736 8.290 -0.000 0.000 0.507 204 K N -1.502 118.907 120.400 0.015 0.000 2.607 204 K HA 0.683 5.004 4.320 0.002 0.000 0.287 204 K C -0.198 176.414 176.600 0.019 0.000 0.996 204 K CA -1.429 54.869 56.287 0.018 0.000 0.876 204 K CB 0.891 33.403 32.500 0.020 0.000 1.496 204 K HN 0.112 8.362 8.250 -0.000 0.000 0.415 205 L N 1.599 122.836 121.223 0.023 0.000 2.467 205 L HA 0.189 4.530 4.340 0.002 0.000 0.270 205 L C -1.177 175.710 176.870 0.028 0.000 1.205 205 L CA -1.577 53.277 54.840 0.024 0.000 0.828 205 L CB 0.291 42.367 42.059 0.029 0.000 1.101 205 L HN 0.691 8.921 8.230 -0.000 0.000 0.479 206 P HA -0.010 4.410 4.420 -0.000 0.000 0.241 206 P C -0.172 177.150 177.300 0.038 0.000 1.191 206 P CA 0.553 63.670 63.100 0.028 0.000 0.771 206 P CB 0.102 31.815 31.700 0.022 0.000 0.929 207 V N -2.987 116.954 119.914 0.044 0.000 3.074 207 V HA 0.585 4.706 4.120 0.002 0.000 0.314 207 V C 0.307 176.447 176.094 0.077 0.000 1.117 207 V CA -1.540 60.794 62.300 0.057 0.000 1.014 207 V CB 1.625 33.480 31.823 0.053 0.000 1.057 207 V HN -0.122 8.068 8.190 -0.000 0.000 0.438 208 V N 0.310 120.286 119.914 0.103 0.000 2.999 208 V HA 0.452 4.573 4.120 0.002 0.000 0.307 208 V C 0.047 176.260 176.094 0.198 0.000 1.084 208 V CA 0.072 62.474 62.300 0.170 0.000 1.155 208 V CB 0.541 32.529 31.823 0.274 0.000 0.975 208 V HN 1.083 9.273 8.190 -0.000 0.000 0.490 209 N N 2.375 121.221 118.700 0.244 0.000 2.491 209 N HA 0.453 5.194 4.740 0.002 0.000 0.274 209 N C -1.292 174.426 175.510 0.347 0.000 1.023 209 N CA -0.557 52.636 53.050 0.238 0.000 0.902 209 N CB 0.865 39.425 38.487 0.122 0.000 1.267 209 N HN 0.717 9.097 8.380 -0.000 0.000 0.503 210 F N 1.099 121.102 119.950 0.089 0.000 2.377 210 F HA 0.626 5.154 4.527 0.001 0.000 0.328 210 F C 1.208 177.085 175.800 0.130 0.000 1.094 210 F CA -1.168 56.906 58.000 0.124 0.000 1.093 210 F CB 1.346 40.514 39.000 0.279 0.000 1.214 210 F HN 0.388 8.688 8.300 -0.000 0.000 0.518 211 A N 1.948 124.890 122.820 0.203 0.000 2.354 211 A HA 0.748 5.069 4.320 0.002 0.000 0.269 211 A C -0.656 177.081 177.584 0.255 0.000 1.109 211 A CA -0.032 52.095 52.037 0.150 0.000 0.800 211 A CB 0.206 19.227 19.000 0.035 0.000 1.045 211 A HN 0.944 9.094 8.150 -0.000 0.000 0.489 212 A N 0.878 123.797 122.820 0.164 0.000 2.577 212 A HA 0.780 5.101 4.320 0.002 0.000 0.297 212 A C 0.087 177.709 177.584 0.063 0.000 1.060 212 A CA 0.183 52.300 52.037 0.133 0.000 0.697 212 A CB 0.630 19.635 19.000 0.009 0.000 1.281 212 A HN 2.819 10.969 8.150 -0.000 0.000 0.402 213 G N 0.072 108.904 108.800 0.054 0.000 3.292 213 G HA2 0.520 4.481 3.960 0.002 0.000 0.636 213 G HA3 0.520 4.481 3.960 0.002 0.000 0.636 213 G C 1.362 176.273 174.900 0.019 0.000 1.069 213 G CA 1.034 46.152 45.100 0.031 0.000 0.890 213 G HN 3.022 11.312 8.290 -0.000 0.000 0.427 214 G N -0.805 108.007 108.800 0.021 0.000 2.157 214 G HA2 0.026 3.987 3.960 0.002 0.000 0.239 214 G HA3 0.026 3.987 3.960 0.002 0.000 0.239 214 G C 0.522 175.428 174.900 0.010 0.000 0.982 214 G CA 0.398 45.504 45.100 0.009 0.000 0.650 214 G HN 1.971 10.261 8.290 -0.000 0.000 0.527 215 V N 0.929 120.857 119.914 0.023 0.000 2.397 215 V HA 0.553 4.674 4.120 0.002 0.000 0.262 215 V C 1.276 177.379 176.094 0.014 0.000 1.047 215 V CA 0.977 63.288 62.300 0.018 0.000 1.003 215 V CB 0.655 32.496 31.823 0.031 0.000 1.037 215 V HN 0.825 9.015 8.190 -0.000 0.000 0.480 216 A N 4.242 127.065 122.820 0.005 0.000 2.026 216 A HA 0.337 4.658 4.320 0.002 0.000 0.201 216 A C 1.138 178.718 177.584 -0.007 0.000 1.318 216 A CA 0.810 52.848 52.037 0.001 0.000 0.857 216 A CB 0.342 19.342 19.000 0.001 0.000 0.939 216 A HN 0.731 8.881 8.150 -0.000 0.000 0.476 217 T N -4.489 110.061 114.554 -0.006 0.000 2.930 217 T HA 0.548 4.899 4.350 0.002 0.000 0.290 217 T C -2.425 172.272 174.700 -0.006 0.000 1.052 217 T CA -1.706 60.389 62.100 -0.009 0.000 1.017 217 T CB 1.711 70.575 68.868 -0.006 0.000 1.137 217 T HN -0.142 8.098 8.240 -0.000 0.000 0.511 218 P HA -0.065 4.355 4.420 -0.000 0.000 0.216 218 P C 1.678 178.984 177.300 0.010 0.000 1.153 218 P CA 1.668 64.770 63.100 0.003 0.000 0.858 218 P CB -0.295 31.407 31.700 0.004 0.000 0.789 219 A N -0.190 122.635 122.820 0.008 0.000 1.940 219 A HA -0.235 4.086 4.320 0.002 0.000 0.219 219 A C 1.990 179.579 177.584 0.008 0.000 1.176 219 A CA 2.108 54.152 52.037 0.012 0.000 0.631 219 A CB -1.390 17.615 19.000 0.008 0.000 0.814 219 A HN 0.103 8.253 8.150 -0.000 0.000 0.446 220 D N 0.090 120.491 120.400 0.000 0.000 2.117 220 D HA -0.059 4.582 4.640 0.002 0.000 0.197 220 D C 2.260 178.553 176.300 -0.013 0.000 0.987 220 D CA 1.540 55.536 54.000 -0.006 0.000 0.829 220 D CB -0.466 40.331 40.800 -0.006 0.000 0.961 220 D HN 0.426 8.796 8.370 -0.000 0.000 0.460 221 A N 1.049 123.862 122.820 -0.011 0.000 1.877 221 A HA -0.061 4.260 4.320 0.002 0.000 0.216 221 A C 2.318 179.879 177.584 -0.037 0.000 1.186 221 A CA 2.361 54.382 52.037 -0.027 0.000 0.620 221 A CB -0.783 18.205 19.000 -0.020 0.000 0.822 221 A HN 0.240 8.390 8.150 -0.000 0.000 0.443 222 A N -0.719 122.106 122.820 0.008 0.000 1.930 222 A HA 0.010 4.331 4.320 0.002 0.000 0.217 222 A C 2.125 179.720 177.584 0.017 0.000 1.175 222 A CA 1.603 53.672 52.037 0.054 0.000 0.627 222 A CB -0.601 18.464 19.000 0.110 0.000 0.815 222 A HN 0.641 8.791 8.150 -0.000 0.000 0.443 223 L N -0.688 120.537 121.223 0.002 0.000 2.012 223 L HA -0.172 4.169 4.340 0.002 0.000 0.210 223 L C 2.113 178.955 176.870 -0.047 0.000 1.073 223 L CA 1.756 56.590 54.840 -0.010 0.000 0.748 223 L CB -0.427 41.627 42.059 -0.008 0.000 0.891 223 L HN 0.269 8.499 8.230 -0.000 0.000 0.431 224 L N -1.107 120.074 121.223 -0.070 0.000 2.093 224 L HA -0.158 4.183 4.340 0.002 0.000 0.208 224 L C 2.415 179.176 176.870 -0.182 0.000 1.085 224 L CA 1.504 56.285 54.840 -0.097 0.000 0.755 224 L CB -1.126 40.887 42.059 -0.077 0.000 0.904 224 L HN 0.296 8.526 8.230 -0.000 0.000 0.435 225 M N -1.090 118.341 119.600 -0.282 0.000 2.117 225 M HA -0.187 4.294 4.480 0.002 0.000 0.262 225 M C 2.166 178.144 176.300 -0.538 0.000 1.065 225 M CA 1.423 56.372 55.300 -0.585 0.000 1.114 225 M CB -1.171 30.842 32.600 -0.978 0.000 1.361 225 M HN 0.366 8.656 8.290 -0.000 0.000 0.408 226 Q N -0.073 119.585 119.800 -0.237 0.000 2.291 226 Q HA -0.051 4.290 4.340 0.002 0.000 0.206 226 Q C 1.894 177.868 176.000 -0.043 0.000 0.976 226 Q CA 0.838 56.624 55.803 -0.029 0.000 0.875 226 Q CB -0.137 28.653 28.738 0.087 0.000 0.927 226 Q HN 0.495 8.765 8.270 -0.000 0.000 0.450 227 L N -1.108 120.070 121.223 -0.075 0.000 2.599 227 L HA 0.102 4.443 4.340 0.002 0.000 0.230 227 L C 1.086 177.920 176.870 -0.059 0.000 1.141 227 L CA 0.509 55.320 54.840 -0.049 0.000 0.877 227 L CB 0.233 42.269 42.059 -0.039 0.000 1.009 227 L HN 0.402 8.632 8.230 -0.000 0.000 0.447 228 G N -1.520 107.216 108.800 -0.108 0.000 2.175 228 G HA2 -0.207 3.754 3.960 0.002 0.000 0.182 228 G HA3 -0.207 3.754 3.960 0.002 0.000 0.182 228 G C 0.239 175.068 174.900 -0.119 0.000 1.003 228 G CA -0.297 44.745 45.100 -0.097 0.000 0.666 228 G HN 0.225 8.515 8.290 -0.000 0.000 0.506 229 C N 1.116 120.319 119.300 -0.162 0.000 2.689 229 C HA 0.400 4.861 4.460 0.002 0.000 0.409 229 C C 1.535 176.359 174.990 -0.277 0.000 1.293 229 C CA 0.215 59.130 59.018 -0.171 0.000 2.136 229 C CB 0.691 28.333 27.740 -0.165 0.000 2.719 229 C HN 0.480 8.710 8.230 -0.000 0.000 0.644 230 D N 0.041 120.265 120.400 -0.293 0.000 2.354 230 D HA 0.239 4.880 4.640 0.002 0.000 0.209 230 D C 0.823 176.607 176.300 -0.859 0.000 1.015 230 D CA 0.752 54.527 54.000 -0.376 0.000 0.867 230 D CB 0.535 41.294 40.800 -0.069 0.000 0.933 230 D HN 0.863 9.233 8.370 -0.000 0.000 0.520 231 G N -0.528 107.500 108.800 -1.286 0.000 2.342 231 G HA2 0.385 4.346 3.960 0.002 0.000 0.297 231 G HA3 0.385 4.346 3.960 0.002 0.000 0.297 231 G C -1.945 172.431 174.900 -0.873 0.000 1.313 231 G CA -0.508 43.718 45.100 -1.457 0.000 0.830 231 G HN -0.061 8.229 8.290 -0.000 0.000 0.506 232 V N 0.211 119.864 119.914 -0.435 0.000 2.623 232 V HA 0.578 4.699 4.120 0.002 0.000 0.304 232 V C -1.168 174.917 176.094 -0.014 0.000 1.054 232 V CA -0.585 61.660 62.300 -0.091 0.000 0.882 232 V CB 1.595 33.360 31.823 -0.097 0.000 1.002 232 V HN 0.596 8.786 8.190 -0.000 0.000 0.424 233 F N 4.173 124.195 119.950 0.121 0.000 2.408 233 F HA 0.692 5.220 4.527 0.002 0.000 0.344 233 F C 0.315 176.144 175.800 0.049 0.000 1.112 233 F CA -0.592 57.462 58.000 0.090 0.000 1.096 233 F CB 1.894 40.942 39.000 0.080 0.000 1.129 233 F HN 0.402 8.702 8.300 -0.000 0.000 0.486 234 V N 0.650 120.682 119.914 0.197 0.000 2.769 234 V HA 0.988 5.109 4.120 0.002 0.000 0.312 234 V C -0.042 176.136 176.094 0.140 0.000 1.061 234 V CA -0.619 61.759 62.300 0.130 0.000 0.931 234 V CB 1.085 32.945 31.823 0.062 0.000 1.010 234 V HN 0.815 9.005 8.190 -0.000 0.000 0.433 235 G N 1.158 110.024 108.800 0.110 0.000 2.606 235 G HA2 0.422 4.383 3.960 0.002 0.000 0.262 235 G HA3 0.422 4.383 3.960 0.002 0.000 0.262 235 G C 0.619 175.597 174.900 0.130 0.000 1.394 235 G CA 0.072 45.239 45.100 0.111 0.000 1.044 235 G HN 0.863 9.153 8.290 -0.000 0.000 0.553 236 S N -0.443 115.333 115.700 0.127 0.000 2.547 236 S HA -0.033 4.438 4.470 0.002 0.000 0.235 236 S C 2.384 177.076 174.600 0.153 0.000 0.980 236 S CA 0.936 59.239 58.200 0.172 0.000 0.941 236 S CB -0.292 62.979 63.200 0.118 0.000 0.763 236 S HN 0.782 9.092 8.310 -0.000 0.000 0.532 237 G N 2.370 111.223 108.800 0.088 0.000 2.475 237 G HA2 -0.194 3.767 3.960 0.002 0.000 0.220 237 G HA3 -0.194 3.767 3.960 0.002 0.000 0.220 237 G C 1.261 176.168 174.900 0.012 0.000 1.125 237 G CA 0.602 45.731 45.100 0.049 0.000 0.755 237 G HN 0.440 8.730 8.290 -0.000 0.000 0.565 238 I N 0.285 120.839 120.570 -0.027 0.000 2.151 238 I HA -0.123 4.048 4.170 0.002 0.000 0.243 238 I C 2.192 178.134 176.117 -0.292 0.000 1.080 238 I CA 1.171 62.342 61.300 -0.215 0.000 1.339 238 I CB -1.126 36.645 38.000 -0.381 0.000 1.039 238 I HN 0.127 8.337 8.210 -0.000 0.000 0.409 239 F N 0.699 120.657 119.950 0.012 0.000 2.797 239 F HA 0.064 4.592 4.527 0.001 0.000 0.302 239 F C 2.032 177.837 175.800 0.009 0.000 1.130 239 F CA 0.334 58.340 58.000 0.010 0.000 1.387 239 F CB -0.324 38.682 39.000 0.010 0.000 1.107 239 F HN -0.013 8.287 8.300 -0.000 0.000 0.577 240 K N -0.157 120.315 120.400 0.119 0.000 2.367 240 K HA 0.091 4.412 4.320 0.002 0.000 0.194 240 K C 1.044 177.665 176.600 0.035 0.000 1.027 240 K CA 0.100 56.432 56.287 0.075 0.000 1.075 240 K CB 0.267 32.805 32.500 0.062 0.000 0.845 240 K HN 0.166 8.416 8.250 -0.000 0.000 0.529 241 S N -0.555 115.149 115.700 0.007 0.000 2.624 241 S HA 0.130 4.600 4.470 0.002 0.000 0.263 241 S C 1.153 175.751 174.600 -0.003 0.000 1.287 241 S CA -0.648 57.546 58.200 -0.010 0.000 0.990 241 S CB 1.624 64.801 63.200 -0.039 0.000 0.950 241 S HN -0.028 8.282 8.310 -0.000 0.000 0.561 242 S N 0.854 116.550 115.700 -0.006 0.000 2.382 242 S HA -0.024 4.447 4.470 0.002 0.000 0.228 242 S C 0.808 175.406 174.600 -0.004 0.000 1.027 242 S CA 1.230 59.429 58.200 -0.001 0.000 0.991 242 S CB -0.627 62.571 63.200 -0.003 0.000 0.823 242 S HN 0.788 9.098 8.310 -0.000 0.000 0.469 243 N N 0.323 119.012 118.700 -0.019 0.000 2.716 243 N HA 0.323 5.063 4.740 0.002 0.000 0.253 243 N C -2.611 172.865 175.510 -0.057 0.000 1.170 243 N CA -1.946 51.089 53.050 -0.024 0.000 0.807 243 N CB 1.389 39.863 38.487 -0.021 0.000 1.183 243 N HN -0.111 8.269 8.380 -0.000 0.000 0.524 244 P HA -0.127 4.293 4.420 -0.000 0.000 0.215 244 P C 1.449 178.632 177.300 -0.194 0.000 1.157 244 P CA 0.839 63.822 63.100 -0.196 0.000 0.868 244 P CB 0.561 32.154 31.700 -0.179 0.000 0.788 245 V N 0.150 120.010 119.914 -0.090 0.000 2.332 245 V HA -0.256 3.865 4.120 0.002 0.000 0.248 245 V C 2.658 178.717 176.094 -0.059 0.000 1.055 245 V CA 1.942 64.208 62.300 -0.057 0.000 1.038 245 V CB -1.103 30.715 31.823 -0.008 0.000 0.651 245 V HN 0.088 8.278 8.190 -0.000 0.000 0.450 246 R N -0.251 120.219 120.500 -0.050 0.000 2.073 246 R HA -0.174 4.167 4.340 0.002 0.000 0.234 246 R C 2.319 178.587 176.300 -0.054 0.000 1.134 246 R CA 1.863 57.939 56.100 -0.041 0.000 0.952 246 R CB -0.349 29.933 30.300 -0.031 0.000 0.850 246 R HN 0.445 8.715 8.270 -0.000 0.000 0.433 247 L N 0.787 121.963 121.223 -0.079 0.000 2.056 247 L HA -0.010 4.331 4.340 0.002 0.000 0.207 247 L C 2.310 179.122 176.870 -0.097 0.000 1.078 247 L CA 2.095 56.884 54.840 -0.085 0.000 0.749 247 L CB -0.764 41.233 42.059 -0.103 0.000 0.901 247 L HN 0.244 8.474 8.230 -0.000 0.000 0.433 248 A N -1.388 121.348 122.820 -0.141 0.000 1.883 248 A HA -0.238 4.083 4.320 0.002 0.000 0.217 248 A C 2.261 179.807 177.584 -0.063 0.000 1.186 248 A CA 2.504 54.465 52.037 -0.127 0.000 0.624 248 A CB -1.308 17.589 19.000 -0.171 0.000 0.822 248 A HN 0.518 8.668 8.150 -0.000 0.000 0.444 249 T N 0.289 114.815 114.554 -0.048 0.000 2.746 249 T HA -0.014 4.337 4.350 0.002 0.000 0.267 249 T C 2.183 176.877 174.700 -0.011 0.000 1.039 249 T CA 1.573 63.661 62.100 -0.020 0.000 1.142 249 T CB -0.447 68.413 68.868 -0.014 0.000 0.866 249 T HN 0.613 8.853 8.240 -0.000 0.000 0.444 250 A N 0.940 123.749 122.820 -0.019 0.000 1.930 250 A HA -0.019 4.302 4.320 0.002 0.000 0.217 250 A C 2.576 180.159 177.584 -0.001 0.000 1.175 250 A CA 1.187 53.219 52.037 -0.008 0.000 0.627 250 A CB -0.917 18.074 19.000 -0.015 0.000 0.815 250 A HN 0.361 8.511 8.150 -0.000 0.000 0.443 251 V N -0.462 119.442 119.914 -0.016 0.000 2.358 251 V HA -0.212 3.909 4.120 0.002 0.000 0.246 251 V C 2.564 178.654 176.094 -0.006 0.000 1.047 251 V CA 1.865 64.157 62.300 -0.013 0.000 1.035 251 V CB -0.734 31.072 31.823 -0.028 0.000 0.658 251 V HN 0.365 8.555 8.190 -0.000 0.000 0.452 252 V N -0.141 119.768 119.914 -0.008 0.000 2.287 252 V HA -0.239 3.882 4.120 0.002 0.000 0.248 252 V C 2.608 178.714 176.094 0.020 0.000 1.053 252 V CA 2.000 64.297 62.300 -0.004 0.000 1.027 252 V CB -0.609 31.212 31.823 -0.004 0.000 0.646 252 V HN 0.575 8.765 8.190 -0.000 0.000 0.447 253 E N 0.184 120.413 120.200 0.048 0.000 2.077 253 E HA -0.204 4.147 4.350 0.002 0.000 0.193 253 E C 2.337 179.022 176.600 0.142 0.000 0.989 253 E CA 1.504 57.976 56.400 0.120 0.000 0.800 253 E CB -0.383 29.381 29.700 0.106 0.000 0.746 253 E HN 0.592 8.952 8.360 -0.000 0.000 0.452 254 A N 0.865 123.737 122.820 0.086 0.000 1.969 254 A HA -0.124 4.197 4.320 0.002 0.000 0.218 254 A C 2.399 180.049 177.584 0.109 0.000 1.169 254 A CA 1.784 53.877 52.037 0.093 0.000 0.635 254 A CB -0.653 18.380 19.000 0.056 0.000 0.810 254 A HN 0.188 8.338 8.150 -0.000 0.000 0.445 255 T N -0.387 114.202 114.554 0.059 0.000 2.857 255 T HA -0.087 4.264 4.350 0.002 0.000 0.266 255 T C 1.998 176.759 174.700 0.102 0.000 1.048 255 T CA 1.839 63.963 62.100 0.041 0.000 1.139 255 T CB -0.403 68.439 68.868 -0.044 0.000 0.874 255 T HN 0.539 8.779 8.240 -0.000 0.000 0.455 256 T N 0.960 115.516 114.554 0.004 0.000 2.737 256 T HA -0.075 4.276 4.350 0.002 0.000 0.265 256 T C 1.012 175.545 174.700 -0.278 0.000 1.038 256 T CA 0.908 62.912 62.100 -0.160 0.000 1.144 256 T CB -0.196 68.473 68.868 -0.331 0.000 0.866 256 T HN 0.448 8.688 8.240 -0.000 0.000 0.434 257 H N 1.145 120.226 119.070 0.018 0.000 2.579 257 H HA 0.207 4.764 4.556 0.001 0.000 0.289 257 H C 0.957 176.234 175.328 -0.084 0.000 1.270 257 H CA -0.525 55.475 56.048 -0.079 0.000 1.060 257 H CB -0.628 29.101 29.762 -0.055 0.000 1.554 257 H HN 0.516 8.796 8.280 -0.000 0.000 0.515 258 F N 0.715 120.674 119.950 0.015 0.000 2.451 258 F HA -0.063 4.465 4.527 0.002 0.000 0.299 258 F C 1.215 177.019 175.800 0.008 0.000 1.101 258 F CA 0.485 58.486 58.000 0.001 0.000 1.436 258 F CB 0.182 39.161 39.000 -0.034 0.000 1.074 258 F HN 0.052 8.352 8.300 -0.000 0.000 0.553 259 D N 0.093 120.275 120.400 -0.364 0.000 2.643 259 D HA 0.040 4.681 4.640 0.002 0.000 0.244 259 D C -0.656 175.571 176.300 -0.123 0.000 1.257 259 D CA -0.229 53.649 54.000 -0.204 0.000 0.831 259 D CB -0.766 39.836 40.800 -0.330 0.000 1.043 259 D HN 0.259 8.629 8.370 -0.000 0.000 0.488 260 N N 1.405 120.065 118.700 -0.067 0.000 2.682 260 N HA 0.258 4.999 4.740 0.002 0.000 0.252 260 N C -2.133 173.364 175.510 -0.022 0.000 1.081 260 N CA -1.908 51.117 53.050 -0.043 0.000 0.844 260 N CB 2.072 40.536 38.487 -0.038 0.000 1.167 260 N HN -0.159 8.221 8.380 -0.000 0.000 0.523 261 P HA -0.062 4.358 4.420 -0.000 0.000 0.216 261 P C 1.114 178.403 177.300 -0.017 0.000 1.150 261 P CA 1.107 64.201 63.100 -0.010 0.000 0.837 261 P CB 0.492 32.187 31.700 -0.009 0.000 0.786 262 S N -0.506 115.177 115.700 -0.029 0.000 2.368 262 S HA -0.169 4.302 4.470 0.002 0.000 0.225 262 S C 1.913 176.487 174.600 -0.044 0.000 1.030 262 S CA 1.498 59.677 58.200 -0.035 0.000 0.999 262 S CB -0.585 62.591 63.200 -0.041 0.000 0.844 262 S HN 0.104 8.414 8.310 -0.000 0.000 0.459 263 K N 1.688 122.052 120.400 -0.061 0.000 2.057 263 K HA 0.098 4.419 4.320 0.002 0.000 0.206 263 K C 1.789 178.367 176.600 -0.037 0.000 1.050 263 K CA 1.124 57.363 56.287 -0.080 0.000 0.935 263 K CB -0.570 31.841 32.500 -0.148 0.000 0.715 263 K HN 0.303 8.553 8.250 -0.000 0.000 0.439 264 L N 0.238 121.454 121.223 -0.012 0.000 2.083 264 L HA -0.141 4.200 4.340 0.002 0.000 0.209 264 L C 2.261 179.130 176.870 -0.002 0.000 1.083 264 L CA 0.663 55.507 54.840 0.007 0.000 0.752 264 L CB -0.571 41.501 42.059 0.021 0.000 0.899 264 L HN 0.208 8.438 8.230 -0.000 0.000 0.433 265 L N 0.200 121.418 121.223 -0.009 0.000 2.017 265 L HA -0.234 4.107 4.340 0.002 0.000 0.208 265 L C 2.486 179.347 176.870 -0.015 0.000 1.073 265 L CA 1.849 56.682 54.840 -0.011 0.000 0.745 265 L CB -0.628 41.423 42.059 -0.013 0.000 0.894 265 L HN 0.287 8.517 8.230 -0.000 0.000 0.432 266 E N -0.628 119.558 120.200 -0.023 0.000 2.038 266 E HA -0.232 4.119 4.350 0.002 0.000 0.195 266 E C 2.042 178.630 176.600 -0.020 0.000 1.000 266 E CA 2.374 58.759 56.400 -0.026 0.000 0.803 266 E CB -0.183 29.494 29.700 -0.039 0.000 0.750 266 E HN 0.519 8.879 8.360 -0.000 0.000 0.448 267 V N -1.801 118.103 119.914 -0.017 0.000 3.041 267 V HA 0.024 4.145 4.120 0.002 0.000 0.260 267 V C 1.789 177.878 176.094 -0.009 0.000 1.105 267 V CA 1.486 63.780 62.300 -0.011 0.000 1.125 267 V CB 0.363 32.185 31.823 -0.002 0.000 0.730 267 V HN 0.061 8.251 8.190 -0.000 0.000 0.479 268 S N 0.308 116.004 115.700 -0.008 0.000 2.528 268 S HA 0.203 4.674 4.470 0.002 0.000 0.219 268 S C 1.053 175.647 174.600 -0.009 0.000 0.985 268 S CA 0.338 58.534 58.200 -0.007 0.000 0.914 268 S CB -0.102 63.096 63.200 -0.003 0.000 0.776 268 S HN 0.641 8.951 8.310 -0.000 0.000 0.526 269 S N 2.470 118.164 115.700 -0.010 0.000 2.537 269 S HA 0.257 4.728 4.470 0.002 0.000 0.275 269 S C 0.009 174.603 174.600 -0.011 0.000 1.272 269 S CA -0.455 57.739 58.200 -0.010 0.000 1.050 269 S CB 0.663 63.856 63.200 -0.011 0.000 0.961 269 S HN 0.342 8.652 8.310 -0.000 0.000 0.496 270 D N 1.096 121.491 120.400 -0.010 0.000 2.705 270 D HA -0.145 4.496 4.640 0.002 0.000 0.240 270 D C 0.232 176.526 176.300 -0.011 0.000 1.137 270 D CA 0.345 54.340 54.000 -0.009 0.000 0.677 270 D CB -1.254 39.540 40.800 -0.009 0.000 1.049 270 D HN 0.583 8.953 8.370 -0.000 0.000 0.427 271 L N -0.448 120.768 121.223 -0.012 0.000 2.446 271 L HA 0.261 4.602 4.340 0.002 0.000 0.219 271 L C 1.848 178.709 176.870 -0.016 0.000 1.116 271 L CA 0.726 55.557 54.840 -0.016 0.000 0.844 271 L CB -0.354 41.694 42.059 -0.017 0.000 0.970 271 L HN 0.566 8.796 8.230 -0.000 0.000 0.457 272 G N 0.593 109.386 108.800 -0.011 0.000 2.681 272 G HA2 -0.228 3.733 3.960 0.002 0.000 0.220 272 G HA3 -0.228 3.733 3.960 0.002 0.000 0.220 272 G C -0.476 174.419 174.900 -0.009 0.000 1.353 272 G CA -0.688 44.407 45.100 -0.009 0.000 0.872 272 G HN 0.244 8.534 8.290 -0.000 0.000 0.557 273 E N -0.326 119.870 120.200 -0.006 0.000 2.316 273 E HA 0.465 4.816 4.350 0.002 0.000 0.275 273 E C 0.057 176.653 176.600 -0.006 0.000 1.029 273 E CA -0.504 55.894 56.400 -0.004 0.000 0.871 273 E CB 0.983 30.683 29.700 -0.001 0.000 1.022 273 E HN 0.328 8.688 8.360 -0.000 0.000 0.418 274 L N 0.000 121.220 121.223 -0.006 0.000 2.949 274 L HA 0.000 4.341 4.340 0.002 0.000 0.249 274 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 274 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 274 L HN 0.000 8.230 8.230 -0.000 0.000 0.502