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 1r2n_1_A DATA FIRST_RESID 1 DATA SEQUENCE QAQITGRPEW IWLALGTALM GLGTLYFLVK GMGVSDPDAK KFYAITTLVP DATA SEQUENCE AIAFTMYLSM LLGYGLTMVP FGGEQNPIYW ARYADWLFTT PLLLLDLALL DATA SEQUENCE VDADQGTILA LVGADGIMIG TGLVGALTKV YSYRFVWWAI STAAMLYILY DATA SEQUENCE VLFFGFTSKA ESMRPEVAST FKVLRNVTVV LWSAYPVVWL IGSEGAGIVP DATA SEQUENCE LNIETLLFMV LDVSAKVGFG LILLRSRAIF GE 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 1 Q HA 0.000 4.320 4.340 -0.033 0.000 0.214 1 Q C 0.000 175.969 176.000 -0.052 0.000 1.003 1 Q CA 0.000 55.776 55.803 -0.044 0.000 1.022 1 Q CB 0.000 28.709 28.738 -0.048 0.000 1.108 2 A N 2.034 124.810 122.820 -0.074 0.000 1.557 2 A HA -0.338 3.911 4.320 -0.118 0.000 0.226 2 A C -0.581 176.960 177.584 -0.071 0.000 1.168 2 A CA 0.591 52.567 52.037 -0.101 0.000 0.798 2 A CB -0.602 18.314 19.000 -0.139 0.000 1.143 2 A HN 0.027 8.568 8.150 -0.081 -0.440 0.237 3 Q N -1.827 117.946 119.800 -0.045 0.000 2.402 3 Q HA -0.532 3.814 4.340 0.009 0.000 0.370 3 Q C -0.709 175.292 176.000 0.003 0.000 1.334 3 Q CA 0.355 56.152 55.803 -0.010 0.000 1.151 3 Q CB -1.942 26.794 28.738 -0.004 0.000 1.324 3 Q HN 0.309 8.551 8.270 -0.048 0.000 0.332 4 I N -1.959 118.617 120.570 0.010 0.000 2.775 4 I HA -0.327 3.909 4.170 -0.009 -0.072 0.290 4 I C -0.424 175.718 176.117 0.042 0.000 1.203 4 I CA 1.549 62.857 61.300 0.013 0.000 1.433 4 I CB 0.187 38.197 38.000 0.017 0.000 1.354 4 I HN -0.200 8.013 8.210 0.006 0.000 0.579 5 T N 4.680 119.252 114.554 0.029 0.000 2.626 5 T HA 0.121 4.854 4.350 0.125 -0.307 0.279 5 T C 0.524 175.263 174.700 0.066 0.000 0.983 5 T CA -1.936 60.200 62.100 0.060 0.000 1.059 5 T CB 2.536 71.386 68.868 -0.030 0.000 1.396 5 T HN -0.101 8.140 8.240 0.002 0.000 0.519 6 G N 0.205 109.066 108.800 0.102 0.000 2.189 6 G HA2 -0.307 3.732 3.960 0.131 0.000 0.267 6 G HA3 -0.307 3.678 3.960 0.041 0.000 0.267 6 G C -0.752 174.215 174.900 0.112 0.000 0.975 6 G CA 1.557 46.715 45.100 0.096 0.000 0.644 6 G HN 0.063 8.580 8.290 0.146 -0.139 0.537 7 R N -2.036 118.548 120.500 0.141 0.000 3.730 7 R HA 0.326 4.743 4.340 0.127 0.000 0.089 7 R C -1.244 175.188 176.300 0.222 0.000 0.744 7 R CA 0.784 56.961 56.100 0.128 0.000 1.870 7 R CB -0.811 29.513 30.300 0.041 0.000 1.596 7 R HN -0.565 7.693 8.270 0.156 0.105 0.447 8 P HA -0.181 4.326 4.420 0.145 0.000 0.212 8 P C 0.029 177.357 177.300 0.047 0.000 1.180 8 P CA 2.588 65.767 63.100 0.132 0.000 0.906 8 P CB -0.143 31.611 31.700 0.091 0.000 0.782 9 E N -3.868 116.365 120.200 0.055 0.000 2.515 9 E HA -0.249 3.901 4.350 -0.332 0.000 0.201 9 E C 0.903 177.456 176.600 -0.078 0.000 1.071 9 E CA 0.852 57.236 56.400 -0.027 0.000 0.880 9 E CB -2.284 27.556 29.700 0.234 0.000 0.828 9 E HN 0.363 8.809 8.360 0.143 0.000 0.540 10 W N -0.016 121.241 121.300 -0.072 0.000 2.321 10 W HA -0.362 4.306 4.660 0.012 0.000 0.306 10 W C 0.506 176.982 176.519 -0.073 0.000 1.217 10 W CA 2.713 60.032 57.345 -0.043 0.000 1.257 10 W CB -1.215 28.218 29.460 -0.045 0.000 1.145 10 W HN -0.753 7.486 8.180 0.277 0.108 0.509 11 I N 0.016 119.469 120.570 -1.861 0.000 2.179 11 I HA -0.535 2.384 4.170 -2.085 0.000 0.242 11 I C 1.179 176.905 176.117 -0.651 0.000 1.088 11 I CA 3.845 64.085 61.300 -1.767 0.000 1.357 11 I CB -0.420 36.527 38.000 -1.754 0.000 1.051 11 I HN -0.802 6.146 8.210 -2.102 0.000 0.409 12 W N -2.274 118.810 121.300 -0.360 0.000 2.333 12 W HA -0.391 4.169 4.660 -0.167 0.000 0.316 12 W C 1.994 178.465 176.519 -0.080 0.000 1.215 12 W CA 1.830 59.076 57.345 -0.166 0.000 1.278 12 W CB -0.345 29.068 29.460 -0.079 0.000 1.154 12 W HN -0.502 7.161 8.180 -0.862 0.000 0.486 13 L N -1.844 119.495 121.223 0.195 0.000 1.989 13 L HA -0.564 4.050 4.340 0.457 0.000 0.211 13 L C 2.498 179.474 176.870 0.178 0.000 1.071 13 L CA 3.332 58.314 54.840 0.235 0.000 0.749 13 L CB -0.800 41.324 42.059 0.108 0.000 0.890 13 L HN 0.402 8.705 8.230 0.122 0.000 0.431 14 A N -0.828 122.035 122.820 0.072 0.000 1.903 14 A HA -0.363 4.034 4.320 0.129 0.000 0.219 14 A C 2.153 179.752 177.584 0.026 0.000 1.191 14 A CA 3.070 55.147 52.037 0.065 0.000 0.638 14 A CB -0.701 18.321 19.000 0.037 0.000 0.823 14 A HN 0.433 8.472 8.150 0.004 0.113 0.451 15 L N -1.654 119.556 121.223 -0.022 0.000 2.027 15 L HA -0.283 4.047 4.340 -0.016 0.000 0.206 15 L C 2.070 178.901 176.870 -0.064 0.000 1.074 15 L CA 2.219 57.049 54.840 -0.016 0.000 0.745 15 L CB -0.665 41.416 42.059 0.036 0.000 0.898 15 L HN 0.207 8.294 8.230 -0.062 0.106 0.433 16 G N -2.029 106.689 108.800 -0.137 0.000 2.553 16 G HA2 -0.493 3.193 3.960 -0.456 0.000 0.218 16 G HA3 -0.493 2.925 3.960 -0.903 0.000 0.218 16 G C 0.906 175.601 174.900 -0.342 0.000 1.195 16 G CA 2.746 47.560 45.100 -0.478 0.000 0.779 16 G HN 0.533 8.800 8.290 -0.038 0.000 0.577 17 T N 5.350 119.854 114.554 -0.083 0.000 2.624 17 T HA -0.522 3.955 4.350 0.212 0.000 0.268 17 T C 2.080 176.886 174.700 0.177 0.000 1.041 17 T CA 5.493 67.678 62.100 0.141 0.000 1.159 17 T CB -0.522 68.451 68.868 0.175 0.000 0.863 17 T HN 0.140 8.381 8.240 0.001 0.000 0.434 18 A N 1.093 123.966 122.820 0.088 0.000 1.859 18 A HA -0.300 4.069 4.320 0.082 0.000 0.217 18 A C 1.911 179.491 177.584 -0.005 0.000 1.198 18 A CA 3.138 55.206 52.037 0.052 0.000 0.629 18 A CB -0.931 18.086 19.000 0.028 0.000 0.830 18 A HN 0.040 8.121 8.150 0.060 0.106 0.446 19 L N -2.165 119.031 121.223 -0.046 0.000 2.012 19 L HA -0.500 3.791 4.340 -0.082 0.000 0.210 19 L C 2.686 179.506 176.870 -0.083 0.000 1.073 19 L CA 3.130 57.922 54.840 -0.080 0.000 0.748 19 L CB -0.374 41.625 42.059 -0.101 0.000 0.891 19 L HN 0.043 8.240 8.230 -0.055 0.000 0.431 20 M N -1.821 117.745 119.600 -0.057 0.000 2.065 20 M HA -0.419 4.048 4.480 -0.022 0.000 0.259 20 M C 2.825 179.115 176.300 -0.017 0.000 1.069 20 M CA 2.249 57.550 55.300 0.001 0.000 1.110 20 M CB -1.561 31.092 32.600 0.088 0.000 1.328 20 M HN 0.396 8.637 8.290 -0.081 0.000 0.405 21 G N -0.470 108.315 108.800 -0.027 0.000 2.480 21 G HA2 -0.367 3.261 3.960 -0.555 0.000 0.216 21 G HA3 -0.367 3.370 3.960 -0.372 0.000 0.216 21 G C 1.254 176.019 174.900 -0.224 0.000 1.200 21 G CA 2.098 47.012 45.100 -0.310 0.000 0.782 21 G HN 0.263 8.611 8.290 0.098 0.000 0.554 22 L N 1.641 122.780 121.223 -0.141 0.000 2.012 22 L HA -0.472 3.812 4.340 -0.093 0.000 0.210 22 L C 2.522 179.313 176.870 -0.132 0.000 1.073 22 L CA 2.516 57.291 54.840 -0.110 0.000 0.748 22 L CB -0.543 41.464 42.059 -0.086 0.000 0.891 22 L HN 0.424 8.591 8.230 -0.104 0.000 0.431 23 G N -2.293 106.385 108.800 -0.202 0.000 2.469 23 G HA2 -0.393 3.287 3.960 -0.467 0.000 0.219 23 G HA3 -0.393 3.339 3.960 -0.380 0.000 0.219 23 G C 0.957 175.584 174.900 -0.455 0.000 1.150 23 G CA 2.538 47.405 45.100 -0.388 0.000 0.763 23 G HN 0.508 8.590 8.290 -0.168 0.107 0.561 24 T N 5.671 120.097 114.554 -0.213 0.000 2.595 24 T HA -0.387 3.969 4.350 0.010 0.000 0.264 24 T C 1.738 176.413 174.700 -0.041 0.000 1.058 24 T CA 5.317 67.370 62.100 -0.079 0.000 1.166 24 T CB -0.327 68.498 68.868 -0.072 0.000 0.863 24 T HN -0.072 7.981 8.240 -0.174 0.082 0.415 25 L N 0.967 122.144 121.223 -0.077 0.000 2.043 25 L HA -0.392 3.931 4.340 -0.029 0.000 0.212 25 L C 1.725 178.603 176.870 0.014 0.000 1.075 25 L CA 3.378 58.196 54.840 -0.037 0.000 0.752 25 L CB -1.332 40.692 42.059 -0.059 0.000 0.891 25 L HN 0.179 8.330 8.230 -0.131 0.000 0.432 26 Y N 0.554 120.792 120.300 -0.104 0.000 2.070 26 Y HA -0.466 4.080 4.550 -0.006 0.000 0.280 26 Y C 1.287 177.258 175.900 0.120 0.000 1.148 26 Y CA 3.767 61.832 58.100 -0.059 0.000 1.125 26 Y CB -0.062 38.284 38.460 -0.191 0.000 0.975 26 Y HN 0.219 8.410 8.280 0.044 0.115 0.492 27 F N -4.692 115.294 119.950 0.061 0.000 2.161 27 F HA -0.304 4.186 4.527 -0.061 0.000 0.300 27 F C 2.078 177.904 175.800 0.043 0.000 1.089 27 F CA 1.418 59.436 58.000 0.030 0.000 1.282 27 F CB -0.674 38.397 39.000 0.118 0.000 1.010 27 F HN -0.495 7.777 8.300 -0.046 0.000 0.485 28 L N -0.666 120.680 121.223 0.205 0.000 1.943 28 L HA -0.347 4.077 4.340 0.139 0.000 0.215 28 L C 2.346 179.244 176.870 0.046 0.000 1.074 28 L CA 3.339 58.246 54.840 0.112 0.000 0.759 28 L CB 0.007 42.104 42.059 0.064 0.000 0.888 28 L HN 0.309 8.649 8.230 0.183 0.000 0.433 29 V N -6.049 113.859 119.914 -0.009 0.000 3.299 29 V HA -0.189 3.916 4.120 -0.025 0.000 0.369 29 V C -0.732 175.298 176.094 -0.106 0.000 1.245 29 V CA 1.308 63.581 62.300 -0.044 0.000 1.459 29 V CB -2.337 29.463 31.823 -0.038 0.000 1.203 29 V HN 0.072 8.256 8.190 -0.010 0.000 0.451 30 K N 0.487 120.847 120.400 -0.068 0.000 2.770 30 K HA 0.181 4.459 4.320 -0.070 0.000 0.195 30 K C 0.883 177.541 176.600 0.097 0.000 1.515 30 K CA 0.780 57.043 56.287 -0.039 0.000 1.199 30 K CB 2.304 34.695 32.500 -0.182 0.000 1.681 30 K HN 0.017 8.104 8.250 0.004 0.164 0.586 31 G N 1.887 110.781 108.800 0.157 0.000 3.186 31 G HA2 0.017 3.592 3.960 -0.642 0.000 0.214 31 G HA3 0.017 3.934 3.960 -0.071 0.000 0.214 31 G C -0.069 174.718 174.900 -0.189 0.000 1.222 31 G CA 0.808 45.807 45.100 -0.169 0.000 0.921 31 G HN -0.078 8.337 8.290 0.209 0.000 0.504 32 M N -1.004 118.538 119.600 -0.097 0.000 2.108 32 M HA -0.122 4.323 4.480 -0.059 0.000 0.261 32 M C 1.104 177.346 176.300 -0.097 0.000 1.066 32 M CA 1.754 57.009 55.300 -0.075 0.000 1.107 32 M CB -1.000 31.573 32.600 -0.046 0.000 1.356 32 M HN -0.274 7.841 8.290 -0.055 0.142 0.406 33 G N -2.330 106.401 108.800 -0.116 0.000 2.670 33 G HA2 0.033 3.950 3.960 -0.072 0.000 0.219 33 G HA3 0.033 3.946 3.960 -0.079 0.000 0.219 33 G C -0.704 174.117 174.900 -0.132 0.000 1.342 33 G CA -0.567 44.474 45.100 -0.098 0.000 0.902 33 G HN -0.269 7.946 8.290 -0.124 0.000 0.553 34 V N -0.382 119.429 119.914 -0.172 0.000 5.791 34 V HA -0.426 3.601 4.120 -0.156 0.000 0.239 34 V C -0.123 175.892 176.094 -0.132 0.000 0.714 34 V CA 0.283 62.457 62.300 -0.209 0.000 0.851 34 V CB -0.943 30.606 31.823 -0.457 0.000 0.957 34 V HN -0.001 8.092 8.190 -0.161 0.000 0.419 35 S N 4.005 119.660 115.700 -0.075 0.000 2.348 35 S HA -0.183 4.253 4.470 -0.057 0.000 0.219 35 S C 0.526 175.101 174.600 -0.041 0.000 1.033 35 S CA 1.403 59.572 58.200 -0.051 0.000 0.974 35 S CB 0.249 63.430 63.200 -0.032 0.000 0.868 35 S HN 0.010 8.284 8.310 -0.060 0.000 0.459 36 D N 3.058 123.446 120.400 -0.019 0.000 2.570 36 D HA 0.034 4.666 4.640 -0.014 0.000 0.243 36 D C -0.195 176.098 176.300 -0.012 0.000 1.171 36 D CA -1.597 52.402 54.000 -0.001 0.000 0.879 36 D CB 0.667 41.497 40.800 0.051 0.000 1.143 36 D HN -0.119 8.244 8.370 -0.011 0.000 0.511 37 P HA -0.214 4.179 4.420 -0.046 0.000 0.219 37 P C 0.694 177.966 177.300 -0.046 0.000 1.146 37 P CA 1.915 64.988 63.100 -0.044 0.000 0.808 37 P CB 0.243 31.911 31.700 -0.054 0.000 0.779 38 D N -0.802 119.586 120.400 -0.020 0.000 2.075 38 D HA -0.205 4.376 4.640 -0.097 0.000 0.196 38 D C 2.177 178.492 176.300 0.025 0.000 0.985 38 D CA 2.682 56.676 54.000 -0.011 0.000 0.834 38 D CB -0.219 40.629 40.800 0.080 0.000 0.987 38 D HN -0.725 7.927 8.370 -0.007 -0.286 0.452 39 A N 0.813 123.750 122.820 0.194 0.000 1.927 39 A HA -0.420 4.279 4.320 0.631 0.000 0.220 39 A C 1.717 179.448 177.584 0.244 0.000 1.185 39 A CA 3.135 55.375 52.037 0.338 0.000 0.639 39 A CB -0.593 18.571 19.000 0.274 0.000 0.820 39 A HN 0.322 9.025 8.150 0.175 -0.448 0.451 40 K N -2.646 117.790 120.400 0.060 0.000 2.059 40 K HA -0.474 3.831 4.320 -0.024 0.000 0.212 40 K C 2.353 178.960 176.600 0.012 0.000 1.050 40 K CA 3.723 60.011 56.287 0.002 0.000 0.927 40 K CB -0.242 32.233 32.500 -0.043 0.000 0.714 40 K HN -0.008 8.253 8.250 0.034 0.010 0.447 41 K N -1.554 118.783 120.400 -0.105 0.000 2.009 41 K HA -0.352 3.904 4.320 -0.107 0.000 0.210 41 K C 2.489 178.996 176.600 -0.155 0.000 1.049 41 K CA 3.088 59.254 56.287 -0.203 0.000 0.929 41 K CB -0.208 32.040 32.500 -0.419 0.000 0.714 41 K HN -0.510 7.540 8.250 -0.137 0.118 0.440 42 F N -0.478 119.537 119.950 0.109 0.000 2.069 42 F HA -0.208 4.358 4.527 0.065 0.000 0.298 42 F C 3.222 179.068 175.800 0.075 0.000 1.113 42 F CA 2.857 60.903 58.000 0.077 0.000 1.214 42 F CB -0.795 38.227 39.000 0.035 0.000 0.978 42 F HN -0.826 7.196 8.300 -0.462 0.000 0.474 43 Y N -0.699 119.674 120.300 0.120 0.000 2.081 43 Y HA -0.549 3.990 4.550 -0.018 0.000 0.280 43 Y C 2.451 178.379 175.900 0.047 0.000 1.163 43 Y CA 4.599 62.721 58.100 0.037 0.000 1.135 43 Y CB -0.762 37.712 38.460 0.023 0.000 0.970 43 Y HN 0.163 8.782 8.280 0.565 0.000 0.498 44 A N -0.429 122.516 122.820 0.207 0.000 1.849 44 A HA -0.436 3.967 4.320 0.138 0.000 0.217 44 A C 1.918 179.583 177.584 0.135 0.000 1.202 44 A CA 3.165 55.281 52.037 0.133 0.000 0.629 44 A CB -1.023 18.019 19.000 0.071 0.000 0.834 44 A HN 0.003 8.268 8.150 0.192 0.000 0.447 45 I N -2.438 118.207 120.570 0.125 0.000 2.087 45 I HA -0.622 3.629 4.170 0.136 0.000 0.240 45 I C 2.278 178.510 176.117 0.191 0.000 1.054 45 I CA 4.231 65.621 61.300 0.150 0.000 1.311 45 I CB -0.223 37.872 38.000 0.159 0.000 1.024 45 I HN 0.334 8.603 8.210 0.099 0.000 0.402 46 T N -1.657 113.007 114.554 0.183 0.000 2.962 46 T HA -0.181 4.331 4.350 0.269 0.000 0.270 46 T C 1.284 176.133 174.700 0.248 0.000 1.088 46 T CA 3.416 65.620 62.100 0.174 0.000 1.127 46 T CB -0.324 68.521 68.868 -0.039 0.000 0.883 46 T HN 0.016 8.356 8.240 0.167 0.000 0.493 47 T N 3.219 117.922 114.554 0.249 0.000 2.937 47 T HA -0.044 4.619 4.350 0.522 0.000 0.260 47 T C 1.075 175.930 174.700 0.258 0.000 1.051 47 T CA 3.861 66.161 62.100 0.333 0.000 1.141 47 T CB 0.124 69.159 68.868 0.278 0.000 0.879 47 T HN -0.455 7.761 8.240 0.194 0.140 0.459 48 L N 0.678 122.022 121.223 0.202 0.000 2.042 48 L HA -0.333 4.100 4.340 0.156 0.000 0.210 48 L C 1.545 178.533 176.870 0.196 0.000 1.076 48 L CA 3.315 58.257 54.840 0.171 0.000 0.749 48 L CB -0.493 41.646 42.059 0.133 0.000 0.893 48 L HN -0.268 8.076 8.230 0.189 0.000 0.432 49 V N -3.314 116.733 119.914 0.223 0.000 2.287 49 V HA -0.123 4.123 4.120 0.210 0.000 0.248 49 V C -0.691 175.542 176.094 0.232 0.000 1.053 49 V CA 4.494 66.929 62.300 0.225 0.000 1.027 49 V CB -3.714 28.236 31.823 0.213 0.000 0.646 49 V HN -0.618 7.711 8.190 0.231 0.000 0.447 50 P HA -0.253 4.280 4.420 0.188 0.000 0.216 50 P C 1.289 178.718 177.300 0.215 0.000 1.157 50 P CA 3.278 66.501 63.100 0.204 0.000 0.880 50 P CB -0.867 30.929 31.700 0.161 0.000 0.791 51 A N -2.277 120.669 122.820 0.209 0.000 1.877 51 A HA -0.276 4.198 4.320 0.257 0.000 0.216 51 A C 2.329 180.065 177.584 0.253 0.000 1.186 51 A CA 2.969 55.143 52.037 0.228 0.000 0.620 51 A CB -0.564 18.539 19.000 0.171 0.000 0.822 51 A HN -0.616 7.587 8.150 0.204 0.069 0.443 52 I N -0.726 119.966 120.570 0.204 0.000 2.091 52 I HA -0.515 3.749 4.170 0.157 0.000 0.239 52 I C 1.928 178.159 176.117 0.190 0.000 1.061 52 I CA 2.376 63.788 61.300 0.186 0.000 1.317 52 I CB -1.473 36.648 38.000 0.202 0.000 1.031 52 I HN 0.274 8.602 8.210 0.196 0.000 0.401 53 A N 0.192 123.150 122.820 0.230 0.000 1.908 53 A HA -0.267 4.404 4.320 0.255 -0.198 0.218 53 A C 2.182 179.954 177.584 0.313 0.000 1.181 53 A CA 2.843 55.047 52.037 0.278 0.000 0.627 53 A CB -0.788 18.382 19.000 0.284 0.000 0.818 53 A HN -0.139 8.150 8.150 0.232 0.000 0.445 54 F N -0.671 119.362 119.950 0.138 0.000 2.043 54 F HA -0.423 4.171 4.527 0.112 0.000 0.297 54 F C 1.477 177.339 175.800 0.103 0.000 1.121 54 F CA 3.165 61.229 58.000 0.108 0.000 1.199 54 F CB -0.310 38.731 39.000 0.068 0.000 0.968 54 F HN 0.430 8.851 8.300 0.384 0.110 0.478 55 T N 1.594 116.084 114.554 -0.107 0.000 2.624 55 T HA -0.527 3.583 4.350 -0.401 0.000 0.268 55 T C 2.364 176.947 174.700 -0.195 0.000 1.041 55 T CA 5.211 67.188 62.100 -0.206 0.000 1.159 55 T CB -0.314 68.548 68.868 -0.010 0.000 0.863 55 T HN -0.127 8.233 8.240 0.199 0.000 0.434 56 M N 0.949 120.485 119.600 -0.106 0.000 2.099 56 M HA -0.206 4.143 4.480 -0.218 0.000 0.262 56 M C 2.663 178.797 176.300 -0.276 0.000 1.067 56 M CA 2.073 57.255 55.300 -0.196 0.000 1.124 56 M CB -0.907 31.572 32.600 -0.202 0.000 1.353 56 M HN -0.134 8.147 8.290 -0.015 0.000 0.410 57 Y N -0.260 119.926 120.300 -0.190 0.000 2.151 57 Y HA -0.404 4.025 4.550 -0.202 0.000 0.284 57 Y C 2.328 178.117 175.900 -0.184 0.000 1.166 57 Y CA 4.580 62.576 58.100 -0.172 0.000 1.163 57 Y CB -0.655 37.756 38.460 -0.083 0.000 0.974 57 Y HN 0.627 8.865 8.280 0.112 0.109 0.511 58 L N -0.525 120.608 121.223 -0.150 0.000 1.990 58 L HA -0.443 3.833 4.340 -0.105 0.000 0.213 58 L C 1.886 178.683 176.870 -0.122 0.000 1.072 58 L CA 2.862 57.586 54.840 -0.194 0.000 0.755 58 L CB -0.370 41.434 42.059 -0.424 0.000 0.889 58 L HN 0.243 8.329 8.230 -0.239 0.000 0.432 59 S N -0.405 115.208 115.700 -0.144 0.000 2.374 59 S HA -0.408 4.056 4.470 -0.010 0.000 0.227 59 S C 2.786 177.371 174.600 -0.025 0.000 1.037 59 S CA 3.499 61.664 58.200 -0.058 0.000 1.024 59 S CB -0.607 62.562 63.200 -0.053 0.000 0.861 59 S HN -0.356 7.837 8.310 -0.195 0.000 0.456 60 M N 3.269 122.788 119.600 -0.135 0.000 2.077 60 M HA -0.297 4.240 4.480 0.096 0.000 0.261 60 M C 2.684 179.014 176.300 0.050 0.000 1.070 60 M CA 3.473 58.721 55.300 -0.087 0.000 1.125 60 M CB -0.250 32.055 32.600 -0.492 0.000 1.339 60 M HN -0.607 7.533 8.290 -0.232 0.011 0.409 61 L N 1.537 122.771 121.223 0.017 0.000 1.997 61 L HA -0.366 4.063 4.340 0.149 0.000 0.216 61 L C 0.920 177.860 176.870 0.117 0.000 1.074 61 L CA 3.174 58.077 54.840 0.105 0.000 0.763 61 L CB -0.163 41.962 42.059 0.111 0.000 0.890 61 L HN -0.081 8.125 8.230 -0.040 0.000 0.434 62 L N -6.132 115.138 121.223 0.079 0.000 2.552 62 L HA -0.219 4.164 4.340 0.072 0.000 0.227 62 L C 0.908 177.843 176.870 0.108 0.000 1.146 62 L CA 1.043 55.929 54.840 0.077 0.000 0.858 62 L CB -0.389 41.696 42.059 0.042 0.000 0.969 62 L HN 0.100 8.357 8.230 0.044 0.000 0.451 63 G N -1.747 107.136 108.800 0.138 0.000 2.308 63 G HA2 -0.417 3.635 3.960 0.152 0.000 0.221 63 G HA3 -0.417 3.615 3.960 0.119 0.000 0.221 63 G C 0.950 175.952 174.900 0.170 0.000 1.032 63 G CA 0.665 45.852 45.100 0.145 0.000 0.623 63 G HN -0.479 7.695 8.290 0.139 0.199 0.506 64 Y N 4.813 125.150 120.300 0.062 0.000 2.139 64 Y HA -0.456 4.181 4.550 0.145 0.000 0.282 64 Y C 0.749 176.742 175.900 0.155 0.000 1.179 64 Y CA 2.957 61.125 58.100 0.113 0.000 1.161 64 Y CB -0.082 38.430 38.460 0.087 0.000 0.970 64 Y HN -0.203 8.165 8.280 0.280 0.081 0.511 65 G N -4.714 104.093 108.800 0.012 0.000 2.848 65 G HA2 -0.221 2.977 3.960 -1.271 0.000 0.208 65 G HA3 -0.221 3.404 3.960 -0.559 0.000 0.208 65 G C -1.266 173.397 174.900 -0.395 0.000 1.152 65 G CA -0.156 44.606 45.100 -0.563 0.000 0.789 65 G HN -0.365 7.855 8.290 0.118 0.140 0.531 66 L N -0.553 120.645 121.223 -0.041 0.000 2.334 66 L HA 0.337 4.562 4.340 -0.393 -0.121 0.277 66 L C -0.738 176.173 176.870 0.067 0.000 1.075 66 L CA -0.413 54.327 54.840 -0.166 0.000 0.804 66 L CB 1.485 43.389 42.059 -0.259 0.000 1.174 66 L HN -0.408 7.645 8.230 0.036 0.199 0.438 67 T N 4.351 118.934 114.554 0.049 0.000 2.787 67 T HA 0.223 4.577 4.350 0.007 0.000 0.297 67 T C -2.263 172.418 174.700 -0.030 0.000 1.221 67 T CA -1.135 60.992 62.100 0.045 0.000 1.006 67 T CB 2.878 71.803 68.868 0.095 0.000 1.328 67 T HN 0.621 8.717 8.240 -0.075 0.099 0.509 68 M N 3.199 122.776 119.600 -0.039 0.000 2.383 68 M HA 0.492 5.111 4.480 -0.072 -0.182 0.325 68 M C -1.470 174.810 176.300 -0.033 0.000 1.092 68 M CA -1.625 53.641 55.300 -0.057 0.000 0.961 68 M CB 2.054 34.611 32.600 -0.072 0.000 1.672 68 M HN 0.188 8.456 8.290 -0.038 0.000 0.438 69 V N 5.667 125.564 119.914 -0.028 0.000 2.531 69 V HA 0.508 4.647 4.120 0.033 0.000 0.301 69 V C -2.564 173.518 176.094 -0.020 0.000 1.034 69 V CA -3.159 59.163 62.300 0.038 0.000 0.865 69 V CB 3.583 35.516 31.823 0.184 0.000 0.995 69 V HN 0.986 9.015 8.190 -0.065 0.122 0.424 70 P HA 0.527 5.053 4.420 -0.116 -0.176 0.287 70 P C -1.580 175.794 177.300 0.123 0.000 1.307 70 P CA -0.692 62.399 63.100 -0.015 0.000 0.777 70 P CB -0.579 31.125 31.700 0.006 0.000 0.883 71 F N 1.179 121.135 119.950 0.009 0.000 2.713 71 F HA 0.542 5.188 4.527 0.037 -0.097 0.311 71 F C -1.034 174.739 175.800 -0.045 0.000 1.141 71 F CA -1.904 56.114 58.000 0.030 0.000 0.939 71 F CB 2.640 41.707 39.000 0.112 0.000 1.325 71 F HN -0.048 8.081 8.300 -0.285 0.000 0.453 72 G N 1.087 110.063 108.800 0.294 0.000 5.059 72 G HA2 -0.556 3.209 3.960 -0.324 0.000 0.336 72 G HA3 -0.556 3.347 3.960 -0.096 0.000 0.336 72 G C 0.032 174.877 174.900 -0.091 0.000 1.364 72 G CA 1.345 46.398 45.100 -0.078 0.000 1.020 72 G HN 0.501 9.007 8.290 0.360 0.000 0.807 73 G N 2.205 110.940 108.800 -0.108 0.000 3.738 73 G HA2 0.079 3.998 3.960 -0.068 0.000 0.241 73 G HA3 0.079 3.982 3.960 -0.094 0.000 0.241 73 G C -1.365 173.468 174.900 -0.111 0.000 1.068 73 G CA 0.094 45.137 45.100 -0.095 0.000 0.899 73 G HN -0.021 8.159 8.290 -0.144 0.023 0.519 74 E N -1.169 118.927 120.200 -0.173 0.000 2.408 74 E HA 0.289 4.561 4.350 -0.129 0.000 0.266 74 E C -2.319 174.134 176.600 -0.246 0.000 1.025 74 E CA -1.858 54.435 56.400 -0.180 0.000 0.881 74 E CB 0.961 30.567 29.700 -0.158 0.000 1.660 74 E HN -0.232 7.989 8.360 -0.231 0.000 0.458 75 Q N -1.149 118.527 119.800 -0.207 0.000 2.490 75 Q HA -0.016 4.206 4.340 -0.195 0.000 0.226 75 Q C -0.698 175.151 176.000 -0.252 0.000 1.132 75 Q CA -0.738 54.946 55.803 -0.198 0.000 0.928 75 Q CB -0.560 28.103 28.738 -0.125 0.000 1.299 75 Q HN 0.240 8.409 8.270 -0.168 0.000 0.528 76 N N 4.522 122.992 118.700 -0.383 0.000 2.422 76 N HA 0.300 4.819 4.740 -0.369 0.000 0.264 76 N C -1.635 173.760 175.510 -0.193 0.000 1.063 76 N CA -1.162 51.629 53.050 -0.432 0.000 0.959 76 N CB 1.151 38.999 38.487 -1.065 0.000 1.087 76 N HN 0.102 8.216 8.380 -0.442 0.000 0.483 77 P HA 0.061 4.544 4.420 -0.148 -0.152 0.267 77 P C -1.688 175.566 177.300 -0.077 0.000 1.205 77 P CA 0.509 63.529 63.100 -0.133 0.000 0.765 77 P CB 0.391 32.003 31.700 -0.147 0.000 0.828 78 I N 0.822 121.335 120.570 -0.094 0.000 2.571 78 I HA 0.252 4.479 4.170 0.096 0.000 0.289 78 I C -1.255 174.845 176.117 -0.028 0.000 1.115 78 I CA -1.639 59.681 61.300 0.033 0.000 1.045 78 I CB 3.307 41.404 38.000 0.161 0.000 1.238 78 I HN 0.911 8.938 8.210 -0.136 0.102 0.424 79 Y N 6.851 127.180 120.300 0.050 0.000 2.691 79 Y HA 0.258 4.889 4.550 -0.189 -0.194 0.338 79 Y C 1.355 177.166 175.900 -0.148 0.000 1.148 79 Y CA -1.571 56.449 58.100 -0.133 0.000 1.430 79 Y CB -1.610 36.713 38.460 -0.228 0.000 1.303 79 Y HN 0.744 9.187 8.280 0.271 0.000 0.499 80 W N 2.543 123.900 121.300 0.094 0.000 2.364 80 W HA -0.407 4.423 4.660 0.283 0.000 0.281 80 W C -0.426 176.089 176.519 -0.007 0.000 1.219 80 W CA 1.489 58.895 57.345 0.101 0.000 1.220 80 W CB -1.359 28.109 29.460 0.013 0.000 1.127 80 W HN -0.076 8.245 8.180 0.235 0.000 0.556 81 A N 0.726 122.934 122.820 -1.020 0.000 2.032 81 A HA -0.431 3.298 4.320 -0.986 0.000 0.221 81 A C 2.014 179.179 177.584 -0.699 0.000 1.165 81 A CA 2.681 54.138 52.037 -0.967 0.000 0.645 81 A CB -0.783 17.626 19.000 -0.984 0.000 0.807 81 A HN -0.488 6.764 8.150 -1.456 0.025 0.453 82 R N -2.149 117.833 120.500 -0.863 0.000 2.094 82 R HA -0.396 3.009 4.340 -1.559 0.000 0.239 82 R C 2.296 177.620 176.300 -1.627 0.000 1.137 82 R CA 3.781 58.952 56.100 -1.549 0.000 0.943 82 R CB -0.272 28.860 30.300 -1.948 0.000 0.850 82 R HN -0.482 7.339 8.270 -0.695 0.032 0.433 83 Y N -1.562 118.340 120.300 -0.665 0.000 2.242 83 Y HA -0.346 4.097 4.550 -0.178 0.000 0.291 83 Y C 1.951 177.741 175.900 -0.184 0.000 1.137 83 Y CA 3.024 60.960 58.100 -0.273 0.000 1.181 83 Y CB -0.750 37.663 38.460 -0.077 0.000 0.989 83 Y HN -0.494 7.371 8.280 -0.540 0.090 0.527 84 A N -0.702 122.107 122.820 -0.017 0.000 1.873 84 A HA -0.483 3.871 4.320 0.056 0.000 0.218 84 A C 2.023 179.604 177.584 -0.005 0.000 1.193 84 A CA 3.091 55.150 52.037 0.036 0.000 0.629 84 A CB -1.148 17.934 19.000 0.138 0.000 0.826 84 A HN -0.428 7.722 8.150 -0.001 0.000 0.447 85 D N -0.635 119.687 120.400 -0.129 0.000 2.120 85 D HA -0.259 4.444 4.640 0.105 0.000 0.191 85 D C 2.028 178.384 176.300 0.094 0.000 0.994 85 D CA 3.008 56.987 54.000 -0.035 0.000 0.838 85 D CB -0.163 40.504 40.800 -0.222 0.000 0.976 85 D HN -0.335 7.855 8.370 -0.300 0.000 0.447 86 W N -1.246 119.951 121.300 -0.171 0.000 2.342 86 W HA -0.267 4.258 4.660 -0.225 0.000 0.297 86 W C 2.713 179.107 176.519 -0.207 0.000 1.213 86 W CA 1.725 58.926 57.345 -0.239 0.000 1.251 86 W CB -0.954 28.277 29.460 -0.381 0.000 1.136 86 W HN 0.215 8.178 8.180 -0.360 0.000 0.526 87 L N -0.748 120.445 121.223 -0.050 0.000 2.051 87 L HA -0.350 3.891 4.340 -0.166 0.000 0.214 87 L C 0.660 177.340 176.870 -0.317 0.000 1.076 87 L CA 3.525 58.185 54.840 -0.299 0.000 0.758 87 L CB -0.274 41.423 42.059 -0.604 0.000 0.890 87 L HN 0.006 8.182 8.230 -0.056 0.020 0.433 88 F N -6.813 113.194 119.950 0.095 0.000 2.500 88 F HA 0.138 4.718 4.527 0.088 0.000 0.285 88 F C 1.837 177.695 175.800 0.096 0.000 1.088 88 F CA 1.937 59.992 58.000 0.091 0.000 1.432 88 F CB 0.614 39.666 39.000 0.088 0.000 1.131 88 F HN -0.786 7.468 8.300 -0.059 0.010 0.582 89 T N 3.846 118.562 114.554 0.270 0.000 2.607 89 T HA -0.519 3.951 4.350 0.200 0.000 0.267 89 T C 1.701 176.468 174.700 0.112 0.000 1.049 89 T CA 5.916 68.126 62.100 0.184 0.000 1.162 89 T CB 0.064 69.043 68.868 0.185 0.000 0.863 89 T HN 0.291 8.701 8.240 0.282 0.000 0.424 90 T N -0.693 113.884 114.554 0.040 0.000 2.777 90 T HA -0.115 4.266 4.350 0.052 0.000 0.266 90 T C -0.064 174.757 174.700 0.203 0.000 1.040 90 T CA 5.584 67.700 62.100 0.027 0.000 1.141 90 T CB -1.973 66.719 68.868 -0.293 0.000 0.868 90 T HN -0.106 8.046 8.240 0.032 0.107 0.444 91 P HA -0.206 4.329 4.420 0.193 0.000 0.215 91 P C 1.417 178.829 177.300 0.187 0.000 1.153 91 P CA 3.271 66.482 63.100 0.185 0.000 0.853 91 P CB -0.248 31.555 31.700 0.171 0.000 0.788 92 L N -3.140 118.196 121.223 0.188 0.000 2.017 92 L HA -0.404 4.044 4.340 0.180 0.000 0.208 92 L C 2.068 179.061 176.870 0.205 0.000 1.073 92 L CA 3.148 58.101 54.840 0.188 0.000 0.745 92 L CB -0.533 41.638 42.059 0.187 0.000 0.894 92 L HN -0.745 7.600 8.230 0.192 0.000 0.432 93 L N -0.526 120.795 121.223 0.162 0.000 2.013 93 L HA -0.390 4.155 4.340 0.121 -0.133 0.212 93 L C 2.411 179.394 176.870 0.188 0.000 1.073 93 L CA 2.902 57.789 54.840 0.079 0.000 0.753 93 L CB -0.030 41.971 42.059 -0.097 0.000 0.890 93 L HN -0.421 7.895 8.230 0.145 0.000 0.432 94 L N -1.948 119.379 121.223 0.173 0.000 2.012 94 L HA -0.345 4.063 4.340 0.114 0.000 0.210 94 L C 2.305 179.322 176.870 0.244 0.000 1.073 94 L CA 3.200 58.138 54.840 0.162 0.000 0.748 94 L CB -0.979 41.158 42.059 0.130 0.000 0.891 94 L HN -0.481 7.868 8.230 0.197 0.000 0.431 95 L N -0.622 120.737 121.223 0.227 0.000 2.079 95 L HA -0.490 3.973 4.340 0.205 0.000 0.210 95 L C 1.761 178.791 176.870 0.266 0.000 1.081 95 L CA 3.586 58.555 54.840 0.215 0.000 0.752 95 L CB -0.639 41.519 42.059 0.166 0.000 0.896 95 L HN 0.370 8.550 8.230 0.206 0.174 0.433 96 D N -0.265 120.340 120.400 0.341 0.000 2.106 96 D HA -0.340 4.634 4.640 0.557 0.000 0.191 96 D C 2.379 178.950 176.300 0.452 0.000 0.997 96 D CA 3.880 58.160 54.000 0.468 0.000 0.834 96 D CB -0.277 40.831 40.800 0.513 0.000 0.956 96 D HN 0.019 8.584 8.370 0.325 0.000 0.448 97 L N -1.139 120.335 121.223 0.418 0.000 2.056 97 L HA -0.251 4.332 4.340 0.405 0.000 0.207 97 L C 2.119 179.207 176.870 0.364 0.000 1.078 97 L CA 2.551 57.658 54.840 0.445 0.000 0.749 97 L CB -1.123 41.257 42.059 0.535 0.000 0.901 97 L HN -0.736 7.747 8.230 0.422 0.000 0.433 98 A N 0.116 123.158 122.820 0.370 0.000 1.873 98 A HA -0.416 3.883 4.320 -0.035 0.000 0.218 98 A C 2.147 179.767 177.584 0.061 0.000 1.193 98 A CA 3.246 55.389 52.037 0.176 0.000 0.629 98 A CB -0.595 18.549 19.000 0.241 0.000 0.826 98 A HN 0.541 8.932 8.150 0.403 0.000 0.447 99 L N -1.741 119.587 121.223 0.175 0.000 2.042 99 L HA -0.246 4.144 4.340 0.084 0.000 0.210 99 L C 3.103 180.170 176.870 0.329 0.000 1.076 99 L CA 2.710 57.665 54.840 0.193 0.000 0.749 99 L CB -1.026 41.082 42.059 0.082 0.000 0.893 99 L HN 0.041 8.408 8.230 0.229 0.000 0.432 100 L N -0.640 120.802 121.223 0.366 0.000 2.083 100 L HA -0.238 4.220 4.340 0.196 0.000 0.209 100 L C 1.349 178.219 176.870 0.000 0.000 1.083 100 L CA 2.835 57.769 54.840 0.156 0.000 0.752 100 L CB 0.069 42.153 42.059 0.041 0.000 0.899 100 L HN -0.099 8.383 8.230 0.421 0.000 0.433 101 V N -5.923 113.909 119.914 -0.136 0.000 3.649 101 V HA -0.050 3.898 4.120 -0.286 0.000 0.275 101 V C -1.351 174.569 176.094 -0.291 0.000 1.281 101 V CA -0.292 61.801 62.300 -0.345 0.000 1.143 101 V CB 0.407 31.787 31.823 -0.739 0.000 0.892 101 V HN -0.436 7.693 8.190 -0.102 0.000 0.441 102 D N -0.614 119.691 120.400 -0.158 0.000 2.697 102 D HA -0.430 4.176 4.640 -0.057 0.000 0.235 102 D C -1.021 175.172 176.300 -0.179 0.000 1.167 102 D CA 0.877 54.809 54.000 -0.113 0.000 0.656 102 D CB -0.685 40.076 40.800 -0.066 0.000 1.025 102 D HN -0.684 7.444 8.370 -0.075 0.197 0.419 103 A N -1.096 121.567 122.820 -0.261 0.000 2.407 103 A HA -0.049 4.073 4.320 -0.329 0.000 0.248 103 A C -0.866 176.663 177.584 -0.093 0.000 1.082 103 A CA 0.480 52.348 52.037 -0.283 0.000 0.785 103 A CB 1.053 19.792 19.000 -0.434 0.000 1.020 103 A HN -0.224 7.664 8.150 -0.257 0.108 0.489 104 D N 2.172 122.542 120.400 -0.050 0.000 2.488 104 D HA -0.154 4.481 4.640 -0.009 0.000 0.238 104 D C 1.524 177.847 176.300 0.039 0.000 1.138 104 D CA 1.069 55.070 54.000 0.001 0.000 0.873 104 D CB 0.843 41.653 40.800 0.017 0.000 1.183 104 D HN 0.107 8.434 8.370 -0.071 0.000 0.458 105 Q N 4.170 123.991 119.800 0.035 0.000 2.197 105 Q HA -0.453 3.921 4.340 0.056 0.000 0.211 105 Q C 2.284 178.325 176.000 0.067 0.000 0.993 105 Q CA 3.636 59.469 55.803 0.049 0.000 0.883 105 Q CB -0.158 28.601 28.738 0.035 0.000 0.916 105 Q HN 0.514 8.796 8.270 0.020 0.000 0.418 106 G N -1.950 106.889 108.800 0.065 0.000 2.586 106 G HA2 -0.317 3.685 3.960 0.070 0.000 0.218 106 G HA3 -0.317 3.687 3.960 0.072 0.000 0.218 106 G C 1.198 176.164 174.900 0.111 0.000 1.216 106 G CA 2.445 47.592 45.100 0.078 0.000 0.786 106 G HN 0.372 8.673 8.290 0.052 0.021 0.583 107 T N 2.594 117.229 114.554 0.135 0.000 2.708 107 T HA -0.363 4.099 4.350 0.186 0.000 0.266 107 T C 1.987 176.807 174.700 0.200 0.000 1.037 107 T CA 3.401 65.616 62.100 0.191 0.000 1.146 107 T CB -0.337 68.694 68.868 0.270 0.000 0.865 107 T HN -0.449 7.860 8.240 0.116 0.000 0.435 108 I N 1.932 122.616 120.570 0.189 0.000 2.113 108 I HA -0.609 3.695 4.170 0.224 0.000 0.242 108 I C 1.723 177.927 176.117 0.145 0.000 1.064 108 I CA 3.828 65.235 61.300 0.177 0.000 1.320 108 I CB -0.570 37.512 38.000 0.136 0.000 1.028 108 I HN -0.506 7.803 8.210 0.165 0.000 0.406 109 L N -0.758 120.537 121.223 0.119 0.000 1.994 109 L HA -0.404 3.995 4.340 0.099 0.000 0.208 109 L C 1.538 178.476 176.870 0.113 0.000 1.071 109 L CA 3.192 58.094 54.840 0.103 0.000 0.745 109 L CB -0.759 41.349 42.059 0.081 0.000 0.892 109 L HN -0.169 8.128 8.230 0.111 0.000 0.431 110 A N -0.709 122.189 122.820 0.130 0.000 1.927 110 A HA -0.401 3.986 4.320 0.110 0.000 0.220 110 A C 2.193 179.906 177.584 0.214 0.000 1.185 110 A CA 3.136 55.269 52.037 0.160 0.000 0.639 110 A CB -0.941 18.181 19.000 0.203 0.000 0.820 110 A HN -0.288 7.940 8.150 0.130 0.000 0.451 111 L N -1.345 119.999 121.223 0.202 0.000 1.970 111 L HA -0.384 4.085 4.340 0.215 0.000 0.212 111 L C 2.381 179.343 176.870 0.154 0.000 1.071 111 L CA 3.499 58.441 54.840 0.169 0.000 0.751 111 L CB -0.466 41.657 42.059 0.106 0.000 0.889 111 L HN 0.293 8.523 8.230 0.183 0.110 0.432 112 V N -1.273 118.724 119.914 0.138 0.000 2.295 112 V HA -0.497 3.705 4.120 0.137 0.000 0.246 112 V C 2.165 178.322 176.094 0.105 0.000 1.049 112 V CA 4.668 67.044 62.300 0.127 0.000 1.024 112 V CB -0.598 31.298 31.823 0.122 0.000 0.648 112 V HN 0.395 8.668 8.190 0.139 0.000 0.447 113 G N -1.630 107.225 108.800 0.093 0.000 2.459 113 G HA2 -0.395 3.597 3.960 0.053 0.000 0.217 113 G HA3 -0.395 3.597 3.960 0.054 0.000 0.217 113 G C 0.543 175.475 174.900 0.054 0.000 1.183 113 G CA 2.304 47.442 45.100 0.063 0.000 0.776 113 G HN 0.267 8.618 8.290 0.101 0.000 0.552 114 A N 1.575 124.442 122.820 0.079 0.000 1.892 114 A HA -0.393 3.936 4.320 0.015 0.000 0.218 114 A C 1.574 179.214 177.584 0.094 0.000 1.188 114 A CA 3.115 55.201 52.037 0.082 0.000 0.631 114 A CB -0.506 18.613 19.000 0.198 0.000 0.822 114 A HN -0.032 8.184 8.150 0.110 0.000 0.447 115 D N -1.080 119.395 120.400 0.124 0.000 2.104 115 D HA -0.417 4.296 4.640 0.122 0.000 0.194 115 D C 2.031 178.357 176.300 0.044 0.000 0.994 115 D CA 4.143 58.211 54.000 0.112 0.000 0.830 115 D CB -0.166 40.732 40.800 0.164 0.000 0.959 115 D HN 0.053 8.509 8.370 0.144 0.000 0.452 116 G N -0.496 108.326 108.800 0.037 0.000 2.599 116 G HA2 -0.427 3.522 3.960 -0.018 0.000 0.219 116 G HA3 -0.427 3.583 3.960 0.009 -0.045 0.219 116 G C 1.360 176.251 174.900 -0.015 0.000 1.193 116 G CA 2.340 47.442 45.100 0.003 0.000 0.778 116 G HN 0.123 8.449 8.290 0.060 0.000 0.589 117 I N 2.524 123.089 120.570 -0.009 0.000 2.127 117 I HA -0.578 3.569 4.170 -0.038 0.000 0.241 117 I C 2.401 178.501 176.117 -0.027 0.000 1.075 117 I CA 3.967 65.253 61.300 -0.023 0.000 1.334 117 I CB -0.053 37.936 38.000 -0.018 0.000 1.040 117 I HN -0.245 7.968 8.210 0.006 0.000 0.405 118 M N 1.101 120.693 119.600 -0.015 0.000 2.110 118 M HA -0.560 3.889 4.480 -0.051 0.000 0.257 118 M C 2.243 178.525 176.300 -0.030 0.000 1.071 118 M CA 4.259 59.538 55.300 -0.035 0.000 1.096 118 M CB 0.098 32.682 32.600 -0.028 0.000 1.300 118 M HN -0.115 8.179 8.290 0.007 0.000 0.411 119 I N -2.344 118.224 120.570 -0.002 0.000 2.202 119 I HA -0.401 3.899 4.170 0.217 0.000 0.242 119 I C 1.837 177.995 176.117 0.068 0.000 1.091 119 I CA 2.965 64.328 61.300 0.105 0.000 1.368 119 I CB -0.659 37.393 38.000 0.087 0.000 1.058 119 I HN 0.086 8.286 8.210 -0.018 0.000 0.410 120 G N -0.801 107.979 108.800 -0.034 0.000 2.491 120 G HA2 -0.403 3.487 3.960 -0.116 0.000 0.218 120 G HA3 -0.403 3.486 3.960 -0.117 0.000 0.218 120 G C 1.314 176.086 174.900 -0.213 0.000 1.180 120 G CA 2.787 47.817 45.100 -0.117 0.000 0.774 120 G HN 0.345 8.614 8.290 -0.034 0.000 0.562 121 T N 4.461 118.905 114.554 -0.184 0.000 2.665 121 T HA -0.458 3.650 4.350 -0.404 0.000 0.268 121 T C 2.234 176.801 174.700 -0.222 0.000 1.035 121 T CA 4.993 66.964 62.100 -0.215 0.000 1.151 121 T CB -0.609 68.238 68.868 -0.035 0.000 0.862 121 T HN 0.253 8.319 8.240 -0.113 0.106 0.438 122 G N 1.603 110.313 108.800 -0.150 0.000 2.529 122 G HA2 -0.346 3.502 3.960 -0.187 0.000 0.219 122 G HA3 -0.346 3.690 3.960 0.126 0.000 0.219 122 G C 0.819 175.399 174.900 -0.534 0.000 1.177 122 G CA 2.100 47.110 45.100 -0.151 0.000 0.773 122 G HN -0.264 7.977 8.290 -0.082 0.000 0.573 123 L N 2.187 122.914 121.223 -0.826 0.000 2.012 123 L HA -0.335 3.081 4.340 -1.540 0.000 0.210 123 L C 2.055 178.626 176.870 -0.498 0.000 1.073 123 L CA 2.958 57.245 54.840 -0.922 0.000 0.748 123 L CB -0.148 41.609 42.059 -0.504 0.000 0.891 123 L HN 0.046 7.999 8.230 -0.461 0.000 0.431 124 V N -1.217 118.405 119.914 -0.485 0.000 2.252 124 V HA -0.561 3.290 4.120 -0.449 0.000 0.249 124 V C 2.192 178.014 176.094 -0.454 0.000 1.056 124 V CA 4.960 66.905 62.300 -0.591 0.000 1.022 124 V CB -0.792 30.379 31.823 -1.087 0.000 0.641 124 V HN 0.139 8.041 8.190 -0.481 0.000 0.445 125 G N -1.183 107.433 108.800 -0.308 0.000 2.545 125 G HA2 -0.414 3.739 3.960 0.323 0.000 0.217 125 G HA3 -0.414 3.660 3.960 0.190 0.000 0.217 125 G C 1.305 176.315 174.900 0.182 0.000 1.218 125 G CA 2.158 47.329 45.100 0.119 0.000 0.787 125 G HN 0.142 8.209 8.290 -0.372 0.000 0.571 126 A N 3.018 125.943 122.820 0.175 0.000 1.958 126 A HA -0.332 4.174 4.320 0.311 0.000 0.221 126 A C 2.037 179.679 177.584 0.096 0.000 1.178 126 A CA 2.638 54.788 52.037 0.187 0.000 0.642 126 A CB -0.222 18.819 19.000 0.067 0.000 0.816 126 A HN 0.353 8.418 8.150 0.038 0.108 0.453 127 L N -9.020 112.210 121.223 0.011 0.000 2.585 127 L HA 0.099 4.494 4.340 0.092 0.000 0.226 127 L C -0.152 176.755 176.870 0.062 0.000 1.113 127 L CA -0.811 54.048 54.840 0.032 0.000 0.876 127 L CB 0.144 42.176 42.059 -0.044 0.000 1.072 127 L HN -0.146 8.021 8.230 -0.083 0.013 0.468 128 T N 3.410 118.006 114.554 0.071 0.000 2.784 128 T HA -0.114 4.317 4.350 0.136 0.000 0.291 128 T C 0.179 174.976 174.700 0.161 0.000 0.942 128 T CA 1.896 64.084 62.100 0.146 0.000 1.161 128 T CB 0.159 69.195 68.868 0.279 0.000 0.885 128 T HN -0.527 7.620 8.240 0.048 0.121 0.534 129 K N 7.092 127.596 120.400 0.174 0.000 2.032 129 K HA -0.206 4.442 4.320 0.261 -0.171 0.209 129 K C 0.472 177.183 176.600 0.185 0.000 1.048 129 K CA 2.293 58.695 56.287 0.192 0.000 0.927 129 K CB -0.294 32.287 32.500 0.134 0.000 0.712 129 K HN 0.015 8.354 8.250 0.148 0.000 0.441 130 V N -0.545 119.438 119.914 0.116 0.000 2.409 130 V HA -0.189 3.931 4.120 -0.000 0.000 0.270 130 V C 0.289 176.399 176.094 0.026 0.000 1.019 130 V CA -0.068 62.217 62.300 -0.025 0.000 1.066 130 V CB -1.256 30.354 31.823 -0.355 0.000 1.021 130 V HN -0.437 7.844 8.190 0.153 0.000 0.476 131 Y N 11.048 131.330 120.300 -0.030 0.000 2.040 131 Y HA -0.537 3.943 4.550 -0.116 0.000 0.275 131 Y C 1.709 177.671 175.900 0.104 0.000 1.171 131 Y CA 4.115 62.218 58.100 0.005 0.000 1.123 131 Y CB -0.238 38.280 38.460 0.097 0.000 0.963 131 Y HN 0.102 8.535 8.280 0.255 0.000 0.493 132 S N -1.486 114.247 115.700 0.057 0.000 2.380 132 S HA -0.410 4.133 4.470 0.122 0.000 0.229 132 S C 1.991 176.727 174.600 0.227 0.000 1.043 132 S CA 3.009 61.265 58.200 0.093 0.000 1.038 132 S CB -0.650 62.575 63.200 0.043 0.000 0.872 132 S HN 0.154 8.560 8.310 0.160 0.000 0.456 133 Y N -0.736 119.589 120.300 0.043 0.000 2.439 133 Y HA -0.165 4.328 4.550 -0.094 0.000 0.292 133 Y C 1.638 177.529 175.900 -0.015 0.000 1.130 133 Y CA -0.437 57.650 58.100 -0.023 0.000 1.254 133 Y CB -1.118 37.361 38.460 0.031 0.000 1.000 133 Y HN -0.728 7.506 8.280 -0.038 0.023 0.554 134 R N -0.623 119.936 120.500 0.098 0.000 2.103 134 R HA -0.417 4.107 4.340 0.307 0.000 0.242 134 R C 2.232 178.496 176.300 -0.060 0.000 1.142 134 R CA 3.951 60.044 56.100 -0.012 0.000 0.960 134 R CB -0.507 29.544 30.300 -0.415 0.000 0.858 134 R HN -0.171 7.949 8.270 -0.001 0.150 0.439 135 F N -3.084 116.955 119.950 0.148 0.000 2.234 135 F HA -0.212 4.498 4.527 0.306 0.000 0.299 135 F C 1.916 177.816 175.800 0.166 0.000 1.087 135 F CA 3.362 61.462 58.000 0.167 0.000 1.340 135 F CB -0.960 38.034 39.000 -0.010 0.000 1.031 135 F HN -0.796 7.349 8.300 -0.250 0.004 0.500 136 V N 0.064 120.056 119.914 0.130 0.000 2.252 136 V HA -0.550 3.549 4.120 -0.035 0.000 0.249 136 V C 1.377 177.373 176.094 -0.164 0.000 1.056 136 V CA 4.851 67.073 62.300 -0.130 0.000 1.022 136 V CB -0.695 30.873 31.823 -0.425 0.000 0.641 136 V HN -0.672 7.488 8.190 0.127 0.106 0.445 137 W N -2.229 119.098 121.300 0.044 0.000 2.358 137 W HA -0.380 4.248 4.660 -0.054 0.000 0.303 137 W C 2.478 178.951 176.519 -0.077 0.000 1.208 137 W CA 2.456 59.781 57.345 -0.032 0.000 1.274 137 W CB -0.308 29.122 29.460 -0.049 0.000 1.138 137 W HN -0.577 7.469 8.180 -0.223 0.000 0.515 138 W N 0.649 121.897 121.300 -0.086 0.000 2.318 138 W HA -0.589 3.772 4.660 -0.498 0.000 0.313 138 W C 1.259 177.721 176.519 -0.095 0.000 1.221 138 W CA 4.438 61.612 57.345 -0.284 0.000 1.266 138 W CB -0.242 29.031 29.460 -0.312 0.000 1.150 138 W HN 0.352 8.702 8.180 0.283 0.000 0.496 139 A N -0.605 122.300 122.820 0.141 0.000 1.865 139 A HA -0.457 3.671 4.320 -0.321 0.000 0.217 139 A C 1.934 179.418 177.584 -0.166 0.000 1.191 139 A CA 3.139 55.138 52.037 -0.063 0.000 0.623 139 A CB -1.005 18.078 19.000 0.139 0.000 0.826 139 A HN 0.178 8.569 8.150 0.403 0.000 0.444 140 I N -2.190 118.340 120.570 -0.067 0.000 2.151 140 I HA -0.682 3.456 4.170 -0.054 0.000 0.243 140 I C 2.061 178.128 176.117 -0.083 0.000 1.080 140 I CA 4.167 65.444 61.300 -0.039 0.000 1.339 140 I CB -0.357 37.684 38.000 0.069 0.000 1.039 140 I HN -0.278 7.925 8.210 -0.013 0.000 0.409 141 S N 0.906 116.533 115.700 -0.121 0.000 2.359 141 S HA -0.417 3.989 4.470 -0.107 0.000 0.224 141 S C 2.134 176.581 174.600 -0.255 0.000 1.035 141 S CA 4.450 62.541 58.200 -0.183 0.000 1.018 141 S CB -0.547 62.502 63.200 -0.252 0.000 0.876 141 S HN 0.294 8.555 8.310 -0.082 0.000 0.448 142 T N 4.746 119.039 114.554 -0.435 0.000 2.746 142 T HA -0.406 3.724 4.350 -0.366 0.000 0.267 142 T C 1.402 175.972 174.700 -0.217 0.000 1.039 142 T CA 4.934 66.769 62.100 -0.442 0.000 1.142 142 T CB -0.377 67.998 68.868 -0.821 0.000 0.866 142 T HN 0.012 7.921 8.240 -0.553 0.000 0.444 143 A N 1.043 123.762 122.820 -0.168 0.000 1.883 143 A HA -0.321 3.969 4.320 -0.049 0.000 0.217 143 A C 1.580 179.162 177.584 -0.003 0.000 1.186 143 A CA 3.144 55.139 52.037 -0.069 0.000 0.624 143 A CB -0.988 17.971 19.000 -0.068 0.000 0.822 143 A HN 0.148 8.173 8.150 -0.209 0.000 0.444 144 A N -1.585 121.225 122.820 -0.017 0.000 1.883 144 A HA -0.388 3.972 4.320 0.065 0.000 0.217 144 A C 1.867 179.520 177.584 0.115 0.000 1.186 144 A CA 3.034 55.098 52.037 0.045 0.000 0.624 144 A CB -0.874 18.129 19.000 0.005 0.000 0.822 144 A HN -0.053 8.061 8.150 -0.059 0.000 0.444 145 M N -0.305 119.324 119.600 0.048 0.000 2.065 145 M HA -0.394 4.191 4.480 0.176 0.000 0.259 145 M C 2.017 178.375 176.300 0.098 0.000 1.071 145 M CA 3.888 59.243 55.300 0.092 0.000 1.109 145 M CB 0.454 33.065 32.600 0.017 0.000 1.313 145 M HN -0.091 8.181 8.290 -0.030 0.000 0.408 146 L N -3.116 118.144 121.223 0.062 0.000 2.083 146 L HA -0.334 4.043 4.340 0.061 0.000 0.209 146 L C 1.519 178.467 176.870 0.130 0.000 1.083 146 L CA 3.331 58.218 54.840 0.077 0.000 0.752 146 L CB -1.554 40.538 42.059 0.054 0.000 0.899 146 L HN 0.187 8.426 8.230 0.016 0.000 0.433 147 Y N 0.667 120.985 120.300 0.030 0.000 2.053 147 Y HA -0.555 4.018 4.550 0.038 0.000 0.277 147 Y C 1.512 177.451 175.900 0.065 0.000 1.159 147 Y CA 4.016 62.138 58.100 0.037 0.000 1.125 147 Y CB -0.002 38.455 38.460 -0.006 0.000 0.969 147 Y HN -0.319 8.095 8.280 0.223 0.000 0.492 148 I N -1.521 119.019 120.570 -0.050 0.000 2.091 148 I HA -0.659 3.312 4.170 -0.332 0.000 0.239 148 I C 1.918 177.874 176.117 -0.267 0.000 1.061 148 I CA 4.353 65.543 61.300 -0.184 0.000 1.317 148 I CB -0.230 37.770 38.000 -0.000 0.000 1.031 148 I HN -0.487 7.843 8.210 0.199 0.000 0.401 149 L N -1.758 119.367 121.223 -0.163 0.000 2.079 149 L HA -0.421 3.741 4.340 -0.298 0.000 0.210 149 L C 1.961 178.763 176.870 -0.113 0.000 1.081 149 L CA 3.430 58.158 54.840 -0.186 0.000 0.752 149 L CB -1.129 40.854 42.059 -0.126 0.000 0.896 149 L HN -0.056 8.138 8.230 -0.061 0.000 0.433 150 Y N 0.072 120.297 120.300 -0.127 0.000 2.070 150 Y HA -0.533 4.128 4.550 0.184 0.000 0.280 150 Y C 1.887 177.760 175.900 -0.045 0.000 1.148 150 Y CA 4.485 62.595 58.100 0.016 0.000 1.125 150 Y CB -0.015 38.463 38.460 0.031 0.000 0.975 150 Y HN -0.036 8.211 8.280 0.096 0.091 0.492 151 V N -0.999 118.866 119.914 -0.082 0.000 2.343 151 V HA -0.512 3.587 4.120 -0.035 0.000 0.247 151 V C 1.186 177.049 176.094 -0.386 0.000 1.051 151 V CA 3.744 65.914 62.300 -0.217 0.000 1.036 151 V CB -0.236 31.370 31.823 -0.361 0.000 0.654 151 V HN -0.425 7.646 8.190 -0.198 0.000 0.451 152 L N -1.141 119.793 121.223 -0.481 0.000 2.012 152 L HA -0.466 3.516 4.340 -0.597 0.000 0.210 152 L C 2.109 179.004 176.870 0.043 0.000 1.073 152 L CA 3.215 57.852 54.840 -0.339 0.000 0.748 152 L CB -0.552 41.321 42.059 -0.310 0.000 0.891 152 L HN -0.255 7.712 8.230 -0.438 0.000 0.431 153 F N 0.027 119.800 119.950 -0.294 0.000 2.049 153 F HA -0.232 4.148 4.527 -0.246 0.000 0.288 153 F C 2.250 177.818 175.800 -0.386 0.000 1.141 153 F CA 3.000 60.748 58.000 -0.419 0.000 1.165 153 F CB 0.605 39.141 39.000 -0.774 0.000 1.012 153 F HN 0.107 8.253 8.300 -0.077 0.108 0.475 154 F N -3.803 115.990 119.950 -0.260 0.000 2.407 154 F HA -0.087 4.192 4.527 -0.413 0.000 0.299 154 F C 1.684 177.349 175.800 -0.225 0.000 1.097 154 F CA 2.821 60.581 58.000 -0.399 0.000 1.422 154 F CB -0.740 37.847 39.000 -0.689 0.000 1.067 154 F HN 0.158 8.229 8.300 -0.383 0.000 0.539 155 G N -1.113 107.699 108.800 0.019 0.000 2.655 155 G HA2 -0.073 3.947 3.960 0.101 0.000 0.217 155 G HA3 -0.073 4.051 3.960 0.155 -0.071 0.217 155 G C 1.199 176.192 174.900 0.154 0.000 1.279 155 G CA 1.037 46.204 45.100 0.112 0.000 0.870 155 G HN -0.872 7.280 8.290 -0.046 0.111 0.560 156 F N 1.340 121.210 119.950 -0.133 0.000 2.192 156 F HA -0.282 4.046 4.527 -0.332 0.000 0.301 156 F C 2.405 177.879 175.800 -0.544 0.000 1.079 156 F CA 1.790 59.581 58.000 -0.349 0.000 1.303 156 F CB -0.960 37.824 39.000 -0.360 0.000 1.024 156 F HN 0.657 9.034 8.300 0.308 0.108 0.494 157 T N 1.140 115.683 114.554 -0.019 0.000 2.607 157 T HA -0.526 3.894 4.350 0.117 0.000 0.267 157 T C 1.788 176.429 174.700 -0.100 0.000 1.049 157 T CA 5.675 67.779 62.100 0.007 0.000 1.162 157 T CB -0.689 68.163 68.868 -0.027 0.000 0.863 157 T HN -0.481 7.814 8.240 0.125 0.020 0.424 158 S N 2.132 117.782 115.700 -0.082 0.000 2.359 158 S HA -0.395 4.036 4.470 -0.064 0.000 0.223 158 S C 1.991 176.528 174.600 -0.104 0.000 1.039 158 S CA 3.830 61.986 58.200 -0.073 0.000 1.042 158 S CB -0.602 62.573 63.200 -0.042 0.000 0.915 158 S HN -0.460 7.814 8.310 -0.059 0.000 0.439 159 K N 2.602 122.914 120.400 -0.146 0.000 2.032 159 K HA -0.299 3.937 4.320 -0.140 0.000 0.209 159 K C 2.733 179.194 176.600 -0.230 0.000 1.048 159 K CA 2.854 59.025 56.287 -0.194 0.000 0.927 159 K CB -0.083 32.266 32.500 -0.251 0.000 0.712 159 K HN -0.915 7.260 8.250 -0.124 0.000 0.441 160 A N -0.185 122.441 122.820 -0.323 0.000 1.883 160 A HA -0.299 3.854 4.320 -0.278 0.000 0.217 160 A C 1.972 179.482 177.584 -0.123 0.000 1.186 160 A CA 2.981 54.851 52.037 -0.278 0.000 0.624 160 A CB -0.621 18.137 19.000 -0.404 0.000 0.822 160 A HN 0.205 8.048 8.150 -0.401 0.066 0.444 161 E N -5.273 114.874 120.200 -0.088 0.000 2.396 161 E HA -0.254 4.076 4.350 -0.034 0.000 0.200 161 E C 0.656 177.224 176.600 -0.055 0.000 1.023 161 E CA 1.588 57.956 56.400 -0.052 0.000 0.857 161 E CB -0.051 29.623 29.700 -0.043 0.000 0.775 161 E HN 0.182 8.479 8.360 -0.105 0.000 0.525 162 S N -2.840 112.817 115.700 -0.071 0.000 2.554 162 S HA 0.063 4.504 4.470 -0.049 0.000 0.226 162 S C -0.465 174.099 174.600 -0.060 0.000 0.980 162 S CA 0.831 58.994 58.200 -0.061 0.000 0.939 162 S CB 0.652 63.813 63.200 -0.065 0.000 0.832 162 S HN -0.491 7.572 8.310 -0.094 0.191 0.486 163 M N 1.297 120.858 119.600 -0.065 0.000 2.119 163 M HA 0.009 4.457 4.480 -0.053 0.000 0.205 163 M C -0.026 176.245 176.300 -0.048 0.000 1.285 163 M CA 1.028 56.293 55.300 -0.058 0.000 1.160 163 M CB 0.630 33.188 32.600 -0.070 0.000 1.039 163 M HN -0.258 7.830 8.290 -0.072 0.159 0.439 164 R N -3.367 117.103 120.500 -0.051 0.000 2.771 164 R HA 0.522 4.829 4.340 -0.056 0.000 0.274 164 R C -1.609 174.662 176.300 -0.048 0.000 0.987 164 R CA -2.767 53.300 56.100 -0.056 0.000 0.908 164 R CB 1.795 32.051 30.300 -0.073 0.000 1.213 164 R HN -0.030 8.210 8.270 -0.050 0.000 0.468 165 P HA -0.229 4.172 4.420 -0.032 0.000 0.215 165 P C 1.120 178.398 177.300 -0.037 0.000 1.157 165 P CA 2.754 65.831 63.100 -0.039 0.000 0.874 165 P CB 0.128 31.804 31.700 -0.040 0.000 0.790 166 E N -2.054 118.117 120.200 -0.048 0.000 2.070 166 E HA -0.290 4.030 4.350 -0.050 0.000 0.197 166 E C 2.745 179.316 176.600 -0.049 0.000 1.004 166 E CA 3.190 59.558 56.400 -0.053 0.000 0.805 166 E CB -0.995 28.666 29.700 -0.065 0.000 0.744 166 E HN 0.634 8.961 8.360 -0.055 0.000 0.451 167 V N 0.913 120.801 119.914 -0.044 0.000 2.270 167 V HA -0.429 3.663 4.120 -0.047 0.000 0.245 167 V C 1.966 178.072 176.094 0.020 0.000 1.043 167 V CA 4.156 66.438 62.300 -0.031 0.000 1.014 167 V CB -0.325 31.474 31.823 -0.041 0.000 0.645 167 V HN -0.858 7.207 8.190 -0.049 0.095 0.447 168 A N -0.542 122.285 122.820 0.012 0.000 1.883 168 A HA -0.399 3.977 4.320 0.092 0.000 0.217 168 A C 1.995 179.624 177.584 0.075 0.000 1.186 168 A CA 3.414 55.482 52.037 0.052 0.000 0.624 168 A CB -0.774 18.231 19.000 0.008 0.000 0.822 168 A HN 0.221 8.361 8.150 -0.017 0.000 0.444 169 S N -1.828 113.882 115.700 0.017 0.000 2.351 169 S HA -0.404 4.063 4.470 -0.005 0.000 0.220 169 S C 2.242 176.827 174.600 -0.025 0.000 1.035 169 S CA 3.371 61.566 58.200 -0.008 0.000 1.031 169 S CB -0.094 63.090 63.200 -0.027 0.000 0.928 169 S HN 0.216 8.525 8.310 -0.002 0.000 0.433 170 T N 5.333 119.865 114.554 -0.036 0.000 2.652 170 T HA -0.395 3.891 4.350 -0.105 0.000 0.267 170 T C 1.482 176.133 174.700 -0.082 0.000 1.039 170 T CA 4.677 66.729 62.100 -0.080 0.000 1.153 170 T CB -0.244 68.557 68.868 -0.112 0.000 0.863 170 T HN -0.140 7.970 8.240 -0.034 0.110 0.428 171 F N 1.831 121.718 119.950 -0.105 0.000 2.087 171 F HA -0.497 3.985 4.527 -0.075 0.000 0.299 171 F C 0.948 176.723 175.800 -0.042 0.000 1.100 171 F CA 3.608 61.567 58.000 -0.068 0.000 1.226 171 F CB 0.076 39.049 39.000 -0.045 0.000 0.983 171 F HN 0.330 8.713 8.300 0.138 0.000 0.479 172 K N -1.167 119.099 120.400 -0.223 0.000 2.032 172 K HA -0.426 3.641 4.320 -0.422 0.000 0.209 172 K C 2.292 178.736 176.600 -0.261 0.000 1.048 172 K CA 3.700 59.829 56.287 -0.263 0.000 0.927 172 K CB -0.160 32.309 32.500 -0.052 0.000 0.712 172 K HN -0.556 7.728 8.250 0.058 0.000 0.441 173 V N 0.008 119.812 119.914 -0.184 0.000 2.287 173 V HA -0.488 3.564 4.120 -0.114 0.000 0.248 173 V C 1.849 177.835 176.094 -0.181 0.000 1.053 173 V CA 4.442 66.653 62.300 -0.149 0.000 1.027 173 V CB -0.382 31.370 31.823 -0.119 0.000 0.646 173 V HN -0.423 7.677 8.190 -0.150 0.000 0.447 174 L N -1.549 119.526 121.223 -0.247 0.000 1.989 174 L HA -0.514 3.748 4.340 -0.131 0.000 0.211 174 L C 2.013 178.747 176.870 -0.226 0.000 1.071 174 L CA 3.650 58.356 54.840 -0.222 0.000 0.749 174 L CB -0.907 40.981 42.059 -0.285 0.000 0.890 174 L HN -0.304 7.765 8.230 -0.269 0.000 0.431 175 R N -1.109 119.094 120.500 -0.495 0.000 2.113 175 R HA -0.544 3.549 4.340 -0.412 0.000 0.244 175 R C 2.212 178.364 176.300 -0.246 0.000 1.142 175 R CA 3.896 59.702 56.100 -0.490 0.000 0.953 175 R CB -0.330 29.477 30.300 -0.823 0.000 0.860 175 R HN 0.643 8.366 8.270 -0.724 0.112 0.438 176 N N -0.692 117.896 118.700 -0.187 0.000 2.025 176 N HA -0.289 4.379 4.740 -0.120 0.000 0.194 176 N C 2.405 177.862 175.510 -0.089 0.000 1.044 176 N CA 2.929 55.910 53.050 -0.115 0.000 0.851 176 N CB -0.717 37.723 38.487 -0.078 0.000 1.036 176 N HN -0.090 8.153 8.380 -0.229 0.000 0.422 177 V N 0.649 120.532 119.914 -0.052 0.000 2.252 177 V HA -0.499 3.633 4.120 0.020 0.000 0.249 177 V C 1.898 178.025 176.094 0.055 0.000 1.056 177 V CA 4.767 67.081 62.300 0.023 0.000 1.022 177 V CB -0.290 31.575 31.823 0.070 0.000 0.641 177 V HN 0.160 8.306 8.190 -0.074 0.000 0.445 178 T N 2.169 116.734 114.554 0.018 0.000 2.580 178 T HA -0.429 3.953 4.350 0.053 0.000 0.265 178 T C 1.976 176.583 174.700 -0.155 0.000 1.063 178 T CA 5.194 67.232 62.100 -0.104 0.000 1.170 178 T CB -0.465 68.222 68.868 -0.302 0.000 0.863 178 T HN 0.318 8.454 8.240 0.010 0.110 0.418 179 V N 1.238 121.023 119.914 -0.214 0.000 2.252 179 V HA -0.513 3.475 4.120 -0.219 0.000 0.249 179 V C 1.843 177.892 176.094 -0.074 0.000 1.056 179 V CA 4.632 66.808 62.300 -0.207 0.000 1.022 179 V CB -0.440 31.173 31.823 -0.349 0.000 0.641 179 V HN -0.122 7.934 8.190 -0.224 0.000 0.445 180 V N -0.624 119.257 119.914 -0.054 0.000 2.220 180 V HA -0.513 3.593 4.120 -0.023 0.000 0.246 180 V C 1.994 178.140 176.094 0.087 0.000 1.049 180 V CA 4.537 66.836 62.300 -0.002 0.000 1.003 180 V CB -0.253 31.560 31.823 -0.015 0.000 0.634 180 V HN -0.511 7.629 8.190 -0.083 0.000 0.444 181 L N -1.988 119.325 121.223 0.150 0.000 1.989 181 L HA -0.438 3.993 4.340 0.151 0.000 0.211 181 L C 2.794 179.898 176.870 0.391 0.000 1.071 181 L CA 3.029 58.012 54.840 0.240 0.000 0.749 181 L CB -0.450 41.779 42.059 0.283 0.000 0.890 181 L HN -0.132 8.172 8.230 0.124 0.000 0.431 182 W N -1.828 119.520 121.300 0.080 0.000 2.335 182 W HA -0.355 4.323 4.660 0.030 0.000 0.311 182 W C 2.772 179.354 176.519 0.104 0.000 1.213 182 W CA 3.180 60.546 57.345 0.036 0.000 1.274 182 W CB -0.840 28.548 29.460 -0.121 0.000 1.148 182 W HN 0.422 8.935 8.180 0.554 0.000 0.498 183 S N -1.718 114.138 115.700 0.259 0.000 2.440 183 S HA -0.282 4.272 4.470 0.139 0.000 0.238 183 S C 1.626 176.316 174.600 0.150 0.000 1.010 183 S CA 2.869 61.160 58.200 0.152 0.000 0.972 183 S CB -0.593 62.649 63.200 0.070 0.000 0.774 183 S HN -0.308 8.142 8.310 0.233 0.000 0.501 184 A N 0.577 123.485 122.820 0.146 0.000 1.898 184 A HA -0.173 4.178 4.320 0.051 0.000 0.216 184 A C 1.579 179.199 177.584 0.060 0.000 1.181 184 A CA 2.600 54.670 52.037 0.055 0.000 0.620 184 A CB -0.851 18.124 19.000 -0.043 0.000 0.819 184 A HN -0.556 7.551 8.150 0.185 0.155 0.442 185 Y N -2.107 118.226 120.300 0.055 0.000 2.040 185 Y HA -0.390 4.322 4.550 0.270 0.000 0.275 185 Y C -0.851 175.218 175.900 0.282 0.000 1.171 185 Y CA 5.304 63.490 58.100 0.142 0.000 1.123 185 Y CB -3.078 35.319 38.460 -0.105 0.000 0.963 185 Y HN -0.505 8.020 8.280 0.410 0.000 0.493 186 P HA -0.193 4.585 4.420 0.597 0.000 0.218 186 P C 1.448 179.182 177.300 0.723 0.000 1.148 186 P CA 2.957 66.371 63.100 0.523 0.000 0.822 186 P CB -0.679 31.131 31.700 0.183 0.000 0.784 187 V N 0.294 120.462 119.914 0.422 0.000 2.244 187 V HA -0.419 3.909 4.120 0.348 0.000 0.244 187 V C 1.856 178.069 176.094 0.198 0.000 1.042 187 V CA 4.205 66.680 62.300 0.292 0.000 1.006 187 V CB -0.225 31.693 31.823 0.159 0.000 0.641 187 V HN -0.611 7.648 8.190 0.309 0.117 0.446 188 V N -2.816 117.136 119.914 0.064 0.000 2.490 188 V HA -0.528 3.522 4.120 -0.116 0.000 0.250 188 V C 1.201 177.266 176.094 -0.048 0.000 1.061 188 V CA 3.456 65.670 62.300 -0.143 0.000 1.064 188 V CB -0.359 31.173 31.823 -0.484 0.000 0.670 188 V HN -0.298 7.920 8.190 0.047 0.000 0.461 189 W N 0.278 121.620 121.300 0.069 0.000 2.332 189 W HA -0.405 4.483 4.660 0.379 0.000 0.321 189 W C 2.401 179.024 176.519 0.174 0.000 1.219 189 W CA 4.173 61.706 57.345 0.315 0.000 1.277 189 W CB 0.239 30.039 29.460 0.568 0.000 1.161 189 W HN -0.255 8.206 8.180 0.468 0.000 0.476 190 L N 0.183 121.729 121.223 0.539 0.000 2.042 190 L HA -0.427 4.057 4.340 0.240 0.000 0.210 190 L C 1.179 178.078 176.870 0.048 0.000 1.076 190 L CA 3.076 58.038 54.840 0.204 0.000 0.749 190 L CB 0.145 42.158 42.059 -0.076 0.000 0.893 190 L HN -0.291 8.358 8.230 0.699 0.000 0.432 191 I N -8.361 112.235 120.570 0.043 0.000 3.428 191 I HA 0.300 4.477 4.170 0.012 0.000 0.286 191 I C -0.528 175.581 176.117 -0.013 0.000 1.287 191 I CA 0.154 61.458 61.300 0.008 0.000 1.396 191 I CB -0.679 37.321 38.000 0.001 0.000 1.062 191 I HN -0.294 7.969 8.210 0.088 0.000 0.471 192 G N -1.232 107.540 108.800 -0.047 0.000 2.583 192 G HA2 0.226 4.328 3.960 -0.022 0.000 0.280 192 G HA3 0.226 4.327 3.960 -0.062 -0.178 0.280 192 G C -0.032 174.846 174.900 -0.036 0.000 1.376 192 G CA -1.424 43.648 45.100 -0.047 0.000 1.043 192 G HN -0.536 7.522 8.290 -0.063 0.195 0.538 193 S N 1.135 116.847 115.700 0.020 0.000 2.387 193 S HA -0.342 4.429 4.470 0.104 -0.238 0.230 193 S C 1.345 175.992 174.600 0.079 0.000 1.035 193 S CA 2.692 60.941 58.200 0.082 0.000 1.014 193 S CB 0.099 63.371 63.200 0.119 0.000 0.836 193 S HN 0.057 8.532 8.310 0.043 -0.139 0.466 194 E N -0.514 119.590 120.200 -0.160 0.000 2.409 194 E HA -0.173 4.089 4.350 -0.148 0.000 0.198 194 E C 0.484 176.532 176.600 -0.920 0.000 1.024 194 E CA 2.134 58.239 56.400 -0.491 0.000 0.861 194 E CB 0.530 29.771 29.700 -0.764 0.000 0.788 194 E HN -0.376 8.188 8.360 -0.139 -0.287 0.521 195 G N -1.934 106.481 108.800 -0.641 0.000 2.825 195 G HA2 0.384 3.885 3.960 -0.764 0.000 0.191 195 G HA3 0.384 4.065 3.960 -0.465 0.000 0.191 195 G C -1.906 173.120 174.900 0.210 0.000 1.708 195 G CA 0.017 44.847 45.100 -0.449 0.000 0.813 195 G HN -0.502 7.399 8.290 -0.379 0.161 0.799 196 A N 2.845 125.812 122.820 0.246 0.000 2.320 196 A HA 0.610 5.154 4.320 0.373 0.000 0.287 196 A C 0.398 178.058 177.584 0.126 0.000 1.181 196 A CA -1.616 50.562 52.037 0.236 0.000 0.831 196 A CB 0.961 20.029 19.000 0.114 0.000 1.102 196 A HN 0.220 8.447 8.150 0.128 0.000 0.513 197 G N 3.258 112.137 108.800 0.131 0.000 3.003 197 G HA2 -0.075 3.927 3.960 0.070 0.000 0.266 197 G HA3 -0.075 3.931 3.960 0.076 0.000 0.266 197 G C -0.645 174.284 174.900 0.047 0.000 0.755 197 G CA 0.370 45.517 45.100 0.078 0.000 2.061 197 G HN 0.741 9.134 8.290 0.173 0.000 0.599 198 I N 2.528 123.119 120.570 0.035 0.000 2.333 198 I HA -0.158 4.022 4.170 0.017 0.000 0.246 198 I C 0.292 176.418 176.117 0.015 0.000 1.106 198 I CA 2.056 63.367 61.300 0.019 0.000 1.411 198 I CB 0.815 38.821 38.000 0.010 0.000 1.082 198 I HN 0.290 8.449 8.210 0.038 0.073 0.420 199 V N -1.155 118.768 119.914 0.013 0.000 2.588 199 V HA 0.397 4.525 4.120 0.014 0.000 0.304 199 V C -2.209 173.901 176.094 0.026 0.000 1.042 199 V CA -3.079 59.227 62.300 0.011 0.000 0.877 199 V CB 2.427 34.242 31.823 -0.012 0.000 0.996 199 V HN -0.154 8.045 8.190 0.014 0.000 0.425 200 P HA 0.195 4.649 4.420 0.056 0.000 0.272 200 P C 0.478 177.828 177.300 0.084 0.000 1.223 200 P CA -0.857 62.279 63.100 0.061 0.000 0.784 200 P CB 0.984 32.724 31.700 0.066 0.000 0.923 201 L N 3.330 124.618 121.223 0.107 0.000 2.103 201 L HA -0.416 4.024 4.340 0.167 0.000 0.215 201 L C 1.100 178.090 176.870 0.199 0.000 1.080 201 L CA 3.452 58.389 54.840 0.162 0.000 0.764 201 L CB -0.112 42.051 42.059 0.173 0.000 0.890 201 L HN 0.160 8.444 8.230 0.091 0.000 0.435 202 N N -2.484 116.330 118.700 0.190 0.000 2.037 202 N HA -0.395 4.525 4.740 0.300 0.000 0.196 202 N C 2.090 177.771 175.510 0.286 0.000 1.034 202 N CA 3.244 56.447 53.050 0.256 0.000 0.861 202 N CB -0.073 38.538 38.487 0.206 0.000 1.039 202 N HN 0.087 8.550 8.380 0.153 0.009 0.427 203 I N -0.838 119.824 120.570 0.153 0.000 2.333 203 I HA -0.328 3.849 4.170 0.012 0.000 0.246 203 I C 1.320 177.419 176.117 -0.030 0.000 1.106 203 I CA 2.208 63.531 61.300 0.039 0.000 1.411 203 I CB -1.023 36.981 38.000 0.007 0.000 1.082 203 I HN -0.204 7.985 8.210 0.125 0.097 0.420 204 E N 1.767 121.970 120.200 0.005 0.000 2.086 204 E HA -0.490 3.727 4.350 -0.222 0.000 0.200 204 E C 2.282 178.922 176.600 0.065 0.000 1.012 204 E CA 4.215 60.589 56.400 -0.043 0.000 0.812 204 E CB -0.143 29.591 29.700 0.056 0.000 0.743 204 E HN 0.105 8.496 8.360 0.050 0.000 0.453 205 T N 1.173 115.849 114.554 0.203 0.000 2.684 205 T HA -0.357 4.185 4.350 0.319 0.000 0.267 205 T C 1.692 176.471 174.700 0.131 0.000 1.036 205 T CA 5.144 67.394 62.100 0.249 0.000 1.148 205 T CB -0.422 68.616 68.868 0.284 0.000 0.863 205 T HN 0.398 8.653 8.240 0.212 0.112 0.436 206 L N 1.526 122.685 121.223 -0.108 0.000 1.994 206 L HA -0.371 3.568 4.340 -0.669 0.000 0.208 206 L C 1.119 177.789 176.870 -0.334 0.000 1.071 206 L CA 3.101 57.596 54.840 -0.574 0.000 0.745 206 L CB -0.806 40.615 42.059 -1.065 0.000 0.892 206 L HN -0.759 7.380 8.230 -0.013 0.083 0.431 207 L N -1.467 119.599 121.223 -0.262 0.000 1.971 207 L HA -0.553 3.637 4.340 -0.250 0.000 0.215 207 L C 2.176 178.949 176.870 -0.162 0.000 1.072 207 L CA 3.487 58.173 54.840 -0.256 0.000 0.758 207 L CB -0.513 41.347 42.059 -0.332 0.000 0.889 207 L HN 0.292 8.379 8.230 -0.239 0.000 0.433 208 F N -3.168 116.730 119.950 -0.086 0.000 2.091 208 F HA -0.389 4.028 4.527 -0.183 0.000 0.299 208 F C 2.249 178.096 175.800 0.078 0.000 1.103 208 F CA 3.116 61.109 58.000 -0.011 0.000 1.228 208 F CB -1.135 37.967 39.000 0.169 0.000 0.984 208 F HN -0.031 8.202 8.300 -0.112 0.000 0.477 209 M N 0.563 120.323 119.600 0.268 0.000 2.073 209 M HA -0.397 4.218 4.480 0.225 0.000 0.258 209 M C 2.316 178.614 176.300 -0.003 0.000 1.070 209 M CA 3.064 58.445 55.300 0.135 0.000 1.103 209 M CB -0.795 31.847 32.600 0.070 0.000 1.321 209 M HN 0.073 8.501 8.290 0.230 0.000 0.405 210 V N -0.502 119.369 119.914 -0.072 0.000 2.261 210 V HA -0.492 3.573 4.120 -0.092 0.000 0.246 210 V C 2.287 178.362 176.094 -0.032 0.000 1.047 210 V CA 4.632 66.879 62.300 -0.090 0.000 1.015 210 V CB -0.662 31.072 31.823 -0.149 0.000 0.642 210 V HN -0.076 8.048 8.190 -0.111 0.000 0.446 211 L N -0.659 120.545 121.223 -0.032 0.000 1.989 211 L HA -0.475 3.865 4.340 0.000 0.000 0.211 211 L C 2.145 179.098 176.870 0.139 0.000 1.071 211 L CA 3.612 58.446 54.840 -0.009 0.000 0.749 211 L CB -1.356 40.556 42.059 -0.244 0.000 0.890 211 L HN 0.132 8.325 8.230 -0.063 0.000 0.431 212 D N 0.074 120.606 120.400 0.219 0.000 2.088 212 D HA -0.251 4.588 4.640 0.332 0.000 0.191 212 D C 2.953 179.343 176.300 0.151 0.000 0.992 212 D CA 3.275 57.443 54.000 0.281 0.000 0.831 212 D CB -0.393 40.652 40.800 0.408 0.000 0.973 212 D HN 0.264 8.649 8.370 0.209 0.111 0.447 213 V N -0.722 119.226 119.914 0.057 0.000 2.324 213 V HA -0.437 3.696 4.120 0.022 0.000 0.250 213 V C 2.472 178.605 176.094 0.066 0.000 1.060 213 V CA 4.006 66.317 62.300 0.017 0.000 1.042 213 V CB -0.778 31.011 31.823 -0.057 0.000 0.650 213 V HN -0.067 8.139 8.190 0.026 0.000 0.450 214 S N -0.110 115.633 115.700 0.070 0.000 2.353 214 S HA -0.429 4.094 4.470 0.089 0.000 0.222 214 S C 1.845 176.549 174.600 0.172 0.000 1.035 214 S CA 3.764 62.025 58.200 0.101 0.000 1.025 214 S CB -0.358 62.888 63.200 0.076 0.000 0.902 214 S HN -0.235 8.106 8.310 0.051 0.000 0.440 215 A N -1.416 121.506 122.820 0.170 0.000 2.121 215 A HA -0.206 4.229 4.320 0.191 0.000 0.218 215 A C 1.108 178.756 177.584 0.108 0.000 1.154 215 A CA 2.255 54.382 52.037 0.148 0.000 0.679 215 A CB -0.355 18.713 19.000 0.112 0.000 0.795 215 A HN 0.064 8.309 8.150 0.158 0.000 0.458 216 K N -2.402 118.102 120.400 0.172 0.000 2.107 216 K HA -0.051 4.402 4.320 0.221 0.000 0.211 216 K C 1.985 178.805 176.600 0.366 0.000 1.024 216 K CA 2.051 58.479 56.287 0.235 0.000 0.953 216 K CB 0.679 33.294 32.500 0.191 0.000 0.831 216 K HN -0.298 7.922 8.250 0.160 0.127 0.454 217 V N -0.452 119.618 119.914 0.260 0.000 2.346 217 V HA -0.352 4.009 4.120 0.401 0.000 0.244 217 V C 1.869 178.134 176.094 0.284 0.000 1.037 217 V CA 4.218 66.665 62.300 0.245 0.000 1.029 217 V CB -0.047 31.780 31.823 0.007 0.000 0.663 217 V HN 0.109 8.402 8.190 0.170 0.000 0.454 218 G N -0.212 108.705 108.800 0.195 0.000 2.480 218 G HA2 -0.412 3.610 3.960 0.104 0.000 0.216 218 G HA3 -0.412 3.674 3.960 0.131 -0.048 0.216 218 G C 0.990 176.006 174.900 0.193 0.000 1.200 218 G CA 2.212 47.406 45.100 0.156 0.000 0.782 218 G HN -0.536 7.853 8.290 0.165 0.000 0.554 219 F N 2.966 122.971 119.950 0.092 0.000 2.045 219 F HA -0.518 4.031 4.527 0.035 0.000 0.297 219 F C 1.640 177.476 175.800 0.061 0.000 1.114 219 F CA 3.268 61.312 58.000 0.074 0.000 1.207 219 F CB -0.010 39.056 39.000 0.108 0.000 0.964 219 F HN 0.361 8.899 8.300 0.396 0.000 0.486 220 G N -2.104 106.861 108.800 0.275 0.000 2.442 220 G HA2 -0.420 3.431 3.960 -0.182 0.000 0.219 220 G HA3 -0.420 3.678 3.960 0.230 0.000 0.219 220 G C 0.975 175.809 174.900 -0.109 0.000 1.141 220 G CA 2.120 47.240 45.100 0.034 0.000 0.763 220 G HN -0.153 8.482 8.290 0.574 0.000 0.554 221 L N 1.073 122.390 121.223 0.156 0.000 2.217 221 L HA -0.313 4.100 4.340 0.122 0.000 0.211 221 L C 2.138 178.984 176.870 -0.039 0.000 1.107 221 L CA 2.411 57.314 54.840 0.106 0.000 0.783 221 L CB -0.316 41.828 42.059 0.140 0.000 0.919 221 L HN 0.154 8.557 8.230 0.288 0.000 0.442 222 I N -0.323 120.185 120.570 -0.103 0.000 2.113 222 I HA -0.517 3.585 4.170 -0.114 0.000 0.238 222 I C 2.575 178.551 176.117 -0.236 0.000 1.070 222 I CA 3.919 65.121 61.300 -0.164 0.000 1.332 222 I CB -0.230 37.652 38.000 -0.196 0.000 1.044 222 I HN -0.517 7.544 8.210 -0.089 0.096 0.402 223 L N 0.133 121.140 121.223 -0.360 0.000 1.955 223 L HA -0.269 3.840 4.340 -0.384 0.000 0.213 223 L C 1.697 178.354 176.870 -0.355 0.000 1.072 223 L CA 3.435 58.029 54.840 -0.410 0.000 0.755 223 L CB 0.162 41.901 42.059 -0.533 0.000 0.888 223 L HN -0.544 7.428 8.230 -0.429 0.000 0.432 224 L N -5.706 115.274 121.223 -0.406 0.000 2.675 224 L HA -0.229 3.820 4.340 -0.484 0.000 0.238 224 L C 0.818 177.531 176.870 -0.261 0.000 1.155 224 L CA 1.320 55.875 54.840 -0.475 0.000 0.881 224 L CB -1.334 40.254 42.059 -0.786 0.000 1.008 224 L HN 0.225 8.191 8.230 -0.440 0.000 0.443 225 R N -3.349 117.057 120.500 -0.158 0.000 2.437 225 R HA 0.096 4.418 4.340 -0.030 0.000 0.257 225 R C -0.086 176.173 176.300 -0.068 0.000 0.927 225 R CA 0.388 56.449 56.100 -0.065 0.000 1.078 225 R CB 1.207 31.495 30.300 -0.020 0.000 1.161 225 R HN -0.552 7.493 8.270 -0.191 0.111 0.529 226 S N -1.226 114.408 115.700 -0.111 0.000 2.767 226 S HA 0.207 4.634 4.470 -0.072 0.000 0.300 226 S C -1.456 173.090 174.600 -0.090 0.000 1.123 226 S CA -1.645 56.495 58.200 -0.100 0.000 0.992 226 S CB 1.573 64.693 63.200 -0.133 0.000 1.138 226 S HN -0.368 7.691 8.310 -0.158 0.156 0.550 227 R N 3.114 123.567 120.500 -0.077 0.000 2.387 227 R HA -0.107 4.218 4.340 -0.025 0.000 0.321 227 R C -0.776 175.464 176.300 -0.099 0.000 1.174 227 R CA 0.377 56.442 56.100 -0.059 0.000 1.002 227 R CB -0.303 29.965 30.300 -0.053 0.000 1.028 227 R HN 0.474 8.696 8.270 -0.081 0.000 0.482 228 A N 9.179 131.939 122.820 -0.100 0.000 2.990 228 A HA -0.024 4.039 4.320 -0.429 0.000 0.282 228 A C -0.870 176.706 177.584 -0.014 0.000 1.688 228 A CA -1.001 50.896 52.037 -0.234 0.000 1.391 228 A CB -0.757 18.104 19.000 -0.232 0.000 1.112 228 A HN 0.493 8.623 8.150 -0.035 0.000 0.588 229 I N 2.689 123.251 120.570 -0.014 0.000 6.313 229 I HA -0.443 3.757 4.170 0.051 0.000 0.126 229 I C -0.165 176.107 176.117 0.258 0.000 1.413 229 I CA 0.862 62.230 61.300 0.113 0.000 2.511 229 I CB -1.679 36.411 38.000 0.150 0.000 2.664 229 I HN -0.138 7.958 8.210 -0.100 0.054 0.292 230 F N 5.450 125.423 119.950 0.037 0.000 2.555 230 F HA -0.508 4.030 4.527 0.020 0.000 0.693 230 F C -0.830 174.996 175.800 0.043 0.000 0.487 230 F CA 3.327 61.349 58.000 0.036 0.000 0.748 230 F CB -0.728 38.292 39.000 0.034 0.000 1.624 230 F HN 0.945 9.289 8.300 0.074 0.000 0.266 231 G N -1.688 107.307 108.800 0.324 0.000 2.667 231 G HA2 -0.107 3.964 3.960 0.214 0.000 0.250 231 G HA3 -0.107 4.133 3.960 0.232 -0.141 0.250 231 G C -2.077 172.917 174.900 0.156 0.000 1.212 231 G CA 0.150 45.386 45.100 0.225 0.000 0.874 231 G HN -0.390 8.024 8.290 0.333 0.076 0.561 232 E N 0.000 120.287 120.200 0.145 0.000 2.725 232 E HA 0.000 4.438 4.350 0.147 0.000 0.291 232 E CA 0.000 56.480 56.400 0.133 0.000 0.976 232 E CB 0.000 29.746 29.700 0.077 0.000 0.812 232 E HN 0.000 8.447 8.360 0.145 0.000 0.440