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 1ylu_1_B DATA FIRST_RESID 2 DATA SEQUENCE DIISVALKRH STKAFDASKK LTPEQAEQIK TLLQYSPSST NSQPWHFIVA DATA SEQUENCE STEEGKARVA KSAAGNYVFN ERKMLDASHV VVFCAKTAMD DVWLKLVVDQ DATA SEQUENCE EDADGRFATP EAKAANDKGR KFFADMHRKD LHDDAEWMAK QVYLNVGNFL DATA SEQUENCE LGVAALGLDA VPIEGFDAAI LDAEFGLKEK GYTSLVVVPV GHHSVEDFNA DATA SEQUENCE TLPKSRLPQN ITLTEV 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 2 D HA 0.000 4.640 4.640 0.000 0.000 0.175 2 D C 0.000 176.293 176.300 -0.012 0.000 2.045 2 D CA 0.000 53.994 54.000 -0.010 0.000 0.868 2 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 3 I N 4.308 124.871 120.570 -0.012 0.000 2.546 3 I HA -0.085 4.085 4.170 0.001 0.000 0.255 3 I C 1.797 177.907 176.117 -0.011 0.000 1.163 3 I CA 0.800 62.092 61.300 -0.014 0.000 1.457 3 I CB 0.021 38.013 38.000 -0.014 0.000 1.092 3 I HN 0.551 8.761 8.210 0.000 0.000 0.434 4 I N -0.255 120.311 120.570 -0.007 0.000 2.179 4 I HA -0.235 3.936 4.170 0.001 0.000 0.242 4 I C 2.531 178.645 176.117 -0.006 0.000 1.088 4 I CA 1.171 62.468 61.300 -0.005 0.000 1.357 4 I CB -1.605 36.393 38.000 -0.003 0.000 1.051 4 I HN 0.155 8.365 8.210 0.000 0.000 0.409 5 S N 0.816 116.512 115.700 -0.006 0.000 2.374 5 S HA -0.146 4.325 4.470 0.001 0.000 0.227 5 S C 2.264 176.859 174.600 -0.007 0.000 1.037 5 S CA 1.337 59.534 58.200 -0.006 0.000 1.024 5 S CB -0.404 62.792 63.200 -0.005 0.000 0.861 5 S HN 0.261 8.571 8.310 0.000 0.000 0.456 6 V N 1.775 121.682 119.914 -0.012 0.000 2.343 6 V HA -0.201 3.920 4.120 0.001 0.000 0.247 6 V C 2.601 178.685 176.094 -0.017 0.000 1.051 6 V CA 1.736 64.025 62.300 -0.017 0.000 1.036 6 V CB -1.163 30.644 31.823 -0.026 0.000 0.654 6 V HN 0.557 8.747 8.190 0.000 0.000 0.451 7 A N -0.531 122.280 122.820 -0.014 0.000 1.969 7 A HA -0.069 4.251 4.320 0.001 0.000 0.218 7 A C 2.144 179.725 177.584 -0.005 0.000 1.169 7 A CA 1.473 53.503 52.037 -0.012 0.000 0.635 7 A CB -0.402 18.593 19.000 -0.008 0.000 0.810 7 A HN 0.532 8.682 8.150 0.000 0.000 0.445 8 L N -1.735 119.486 121.223 -0.003 0.000 2.341 8 L HA 0.019 4.359 4.340 0.001 0.000 0.214 8 L C 2.215 179.087 176.870 0.002 0.000 1.115 8 L CA 0.946 55.786 54.840 -0.000 0.000 0.820 8 L CB -0.145 41.913 42.059 -0.002 0.000 0.944 8 L HN 0.260 8.490 8.230 0.000 0.000 0.452 9 K N 0.220 120.623 120.400 0.004 0.000 2.334 9 K HA 0.043 4.363 4.320 0.001 0.000 0.195 9 K C 0.671 177.294 176.600 0.038 0.000 1.045 9 K CA -0.178 56.116 56.287 0.012 0.000 1.004 9 K CB 0.322 32.828 32.500 0.010 0.000 0.837 9 K HN 0.256 8.506 8.250 0.000 0.000 0.510 10 R N 1.682 122.193 120.500 0.019 0.000 2.641 10 R HA 0.103 4.444 4.340 0.001 0.000 0.269 10 R C -0.122 176.209 176.300 0.053 0.000 1.074 10 R CA -0.203 55.900 56.100 0.004 0.000 1.133 10 R CB 0.260 30.532 30.300 -0.047 0.000 1.029 10 R HN 0.080 8.350 8.270 0.000 0.000 0.488 11 H N -1.264 117.746 119.070 -0.099 0.000 2.990 11 H HA 0.281 4.837 4.556 0.001 0.000 0.336 11 H C -1.481 173.778 175.328 -0.115 0.000 1.306 11 H CA -1.065 54.918 56.048 -0.109 0.000 1.118 11 H CB 1.291 30.965 29.762 -0.146 0.000 1.856 11 H HN 0.567 8.847 8.280 0.000 0.000 0.538 12 S N 1.477 117.105 115.700 -0.121 0.000 2.405 12 S HA 0.158 4.628 4.470 0.001 0.000 0.291 12 S C -0.146 174.331 174.600 -0.204 0.000 1.137 12 S CA -0.272 57.837 58.200 -0.152 0.000 1.061 12 S CB -0.065 63.115 63.200 -0.034 0.000 1.001 12 S HN 0.504 8.814 8.310 0.000 0.000 0.507 13 T N 4.911 119.231 114.554 -0.391 0.000 2.888 13 T HA 0.096 4.447 4.350 0.001 0.000 0.301 13 T C 1.183 175.697 174.700 -0.310 0.000 1.001 13 T CA -0.236 61.596 62.100 -0.447 0.000 1.147 13 T CB 0.416 68.820 68.868 -0.775 0.000 0.931 13 T HN 0.384 8.624 8.240 0.000 0.000 0.541 14 K N 1.162 121.366 120.400 -0.326 0.000 2.354 14 K HA 0.418 4.739 4.320 0.001 0.000 0.194 14 K C 0.395 176.941 176.600 -0.090 0.000 1.038 14 K CA 0.062 56.203 56.287 -0.243 0.000 1.052 14 K CB 0.811 32.932 32.500 -0.632 0.000 0.861 14 K HN 0.645 8.895 8.250 0.000 0.000 0.535 15 A N 0.773 123.487 122.820 -0.175 0.000 2.513 15 A HA 0.649 4.970 4.320 0.001 0.000 0.296 15 A C -1.516 175.976 177.584 -0.153 0.000 1.052 15 A CA -0.710 51.313 52.037 -0.024 0.000 0.714 15 A CB 0.649 19.681 19.000 0.053 0.000 1.279 15 A HN 0.022 8.172 8.150 0.000 0.000 0.397 16 F N 1.143 121.140 119.950 0.078 0.000 2.458 16 F HA 0.420 4.948 4.527 0.001 0.000 0.330 16 F C 0.492 176.330 175.800 0.063 0.000 1.082 16 F CA -0.264 57.781 58.000 0.075 0.000 0.995 16 F CB 1.672 40.705 39.000 0.055 0.000 1.170 16 F HN 0.591 8.891 8.300 0.000 0.000 0.478 17 D N 2.105 122.642 120.400 0.228 0.000 2.338 17 D HA 0.216 4.856 4.640 0.001 0.000 0.255 17 D C 0.755 177.150 176.300 0.158 0.000 1.237 17 D CA 0.155 54.241 54.000 0.143 0.000 0.883 17 D CB 1.494 42.343 40.800 0.081 0.000 1.087 17 D HN 0.653 9.023 8.370 0.000 0.000 0.485 18 A N 3.070 125.960 122.820 0.118 0.000 2.121 18 A HA -0.124 4.196 4.320 0.001 0.000 0.218 18 A C 2.014 179.636 177.584 0.062 0.000 1.154 18 A CA 1.368 53.456 52.037 0.085 0.000 0.679 18 A CB -0.275 18.763 19.000 0.063 0.000 0.795 18 A HN 0.578 8.728 8.150 0.000 0.000 0.458 19 S N -0.799 114.935 115.700 0.058 0.000 2.527 19 S HA 0.090 4.561 4.470 0.001 0.000 0.222 19 S C 0.619 175.247 174.600 0.048 0.000 0.985 19 S CA 0.131 58.355 58.200 0.040 0.000 0.921 19 S CB -0.138 63.076 63.200 0.024 0.000 0.772 19 S HN 0.463 8.773 8.310 0.000 0.000 0.529 20 K N 1.859 122.309 120.400 0.084 0.000 2.316 20 K HA 0.406 4.727 4.320 0.001 0.000 0.267 20 K C -0.754 175.960 176.600 0.190 0.000 1.025 20 K CA -0.610 55.748 56.287 0.120 0.000 0.896 20 K CB 0.959 33.536 32.500 0.129 0.000 1.124 20 K HN 0.056 8.306 8.250 0.000 0.000 0.451 21 K N 2.253 122.746 120.400 0.155 0.000 2.221 21 K HA 0.379 4.699 4.320 0.001 0.000 0.243 21 K C -0.098 176.612 176.600 0.185 0.000 0.968 21 K CA -1.206 55.176 56.287 0.159 0.000 0.846 21 K CB 1.213 33.776 32.500 0.106 0.000 1.141 21 K HN 0.233 8.483 8.250 0.000 0.000 0.434 22 L N 1.472 122.801 121.223 0.178 0.000 2.483 22 L HA 0.044 4.384 4.340 0.001 0.000 0.276 22 L C 1.124 178.039 176.870 0.074 0.000 1.213 22 L CA 0.570 55.458 54.840 0.080 0.000 0.843 22 L CB -0.137 41.856 42.059 -0.110 0.000 1.107 22 L HN 0.781 9.011 8.230 0.000 0.000 0.487 23 T N 0.245 114.822 114.554 0.038 0.000 2.856 23 T HA 0.185 4.535 4.350 0.001 0.000 0.306 23 T C -1.766 172.934 174.700 0.001 0.000 1.062 23 T CA -1.282 60.831 62.100 0.022 0.000 1.083 23 T CB 0.440 69.314 68.868 0.010 0.000 0.984 23 T HN 0.469 8.709 8.240 0.000 0.000 0.542 24 P HA -0.124 4.296 4.420 0.000 0.000 0.216 24 P C 1.474 178.759 177.300 -0.025 0.000 1.150 24 P CA 1.248 64.347 63.100 -0.001 0.000 0.843 24 P CB 0.070 31.773 31.700 0.005 0.000 0.787 25 E N -0.210 119.975 120.200 -0.026 0.000 2.077 25 E HA -0.240 4.110 4.350 0.001 0.000 0.193 25 E C 2.057 178.622 176.600 -0.058 0.000 0.989 25 E CA 1.106 57.484 56.400 -0.036 0.000 0.800 25 E CB -0.338 29.344 29.700 -0.029 0.000 0.746 25 E HN 0.240 8.600 8.360 0.000 0.000 0.452 26 Q N -0.075 119.684 119.800 -0.067 0.000 2.084 26 Q HA -0.162 4.179 4.340 0.001 0.000 0.202 26 Q C 2.222 178.125 176.000 -0.161 0.000 0.978 26 Q CA 1.392 57.133 55.803 -0.103 0.000 0.844 26 Q CB -0.175 28.507 28.738 -0.094 0.000 0.898 26 Q HN 0.393 8.663 8.270 0.000 0.000 0.426 27 A N 1.111 123.816 122.820 -0.192 0.000 1.908 27 A HA -0.219 4.101 4.320 0.001 0.000 0.218 27 A C 1.912 179.408 177.584 -0.146 0.000 1.181 27 A CA 1.414 53.295 52.037 -0.260 0.000 0.627 27 A CB -0.317 18.578 19.000 -0.174 0.000 0.818 27 A HN 0.199 8.349 8.150 0.000 0.000 0.445 28 E N -0.006 120.140 120.200 -0.091 0.000 2.106 28 E HA -0.177 4.173 4.350 0.001 0.000 0.192 28 E C 2.177 178.736 176.600 -0.068 0.000 0.984 28 E CA 1.280 57.641 56.400 -0.065 0.000 0.806 28 E CB -0.443 29.232 29.700 -0.043 0.000 0.750 28 E HN 0.792 9.152 8.360 0.000 0.000 0.458 29 Q N 0.229 119.982 119.800 -0.077 0.000 2.119 29 Q HA -0.082 4.259 4.340 0.001 0.000 0.201 29 Q C 2.475 178.434 176.000 -0.068 0.000 0.972 29 Q CA 1.331 57.090 55.803 -0.072 0.000 0.847 29 Q CB -0.305 28.384 28.738 -0.082 0.000 0.903 29 Q HN 0.444 8.714 8.270 0.000 0.000 0.433 30 I N -1.549 118.974 120.570 -0.078 0.000 2.315 30 I HA -0.203 3.967 4.170 0.001 0.000 0.248 30 I C 1.787 177.896 176.117 -0.013 0.000 1.117 30 I CA 1.275 62.583 61.300 0.014 0.000 1.404 30 I CB -0.236 37.791 38.000 0.045 0.000 1.071 30 I HN -0.050 8.160 8.210 0.000 0.000 0.419 31 K N 1.087 121.421 120.400 -0.111 0.000 2.057 31 K HA -0.076 4.244 4.320 0.001 0.000 0.206 31 K C 2.148 178.658 176.600 -0.150 0.000 1.050 31 K CA 1.981 58.153 56.287 -0.191 0.000 0.935 31 K CB -0.427 31.988 32.500 -0.142 0.000 0.715 31 K HN 0.375 8.625 8.250 0.000 0.000 0.439 32 T N 2.316 116.843 114.554 -0.046 0.000 2.720 32 T HA -0.128 4.223 4.350 0.001 0.000 0.268 32 T C 1.896 176.641 174.700 0.075 0.000 1.037 32 T CA 1.098 63.236 62.100 0.063 0.000 1.144 32 T CB -0.207 68.681 68.868 0.034 0.000 0.864 32 T HN 0.117 8.357 8.240 0.000 0.000 0.444 33 L N 0.282 121.510 121.223 0.009 0.000 2.046 33 L HA -0.073 4.267 4.340 0.001 0.000 0.208 33 L C 2.477 179.303 176.870 -0.074 0.000 1.077 33 L CA 1.160 56.021 54.840 0.035 0.000 0.747 33 L CB -0.574 41.544 42.059 0.100 0.000 0.896 33 L HN 0.271 8.501 8.230 0.000 0.000 0.432 34 L N -0.770 120.261 121.223 -0.320 0.000 2.046 34 L HA -0.259 4.081 4.340 0.001 0.000 0.208 34 L C 2.694 179.108 176.870 -0.760 0.000 1.077 34 L CA 1.397 55.689 54.840 -0.913 0.000 0.747 34 L CB -0.522 40.505 42.059 -1.720 0.000 0.896 34 L HN 0.385 8.615 8.230 0.000 0.000 0.432 35 Q N -0.522 119.037 119.800 -0.400 0.000 2.083 35 Q HA -0.192 4.149 4.340 0.001 0.000 0.198 35 Q C 1.670 177.570 176.000 -0.167 0.000 0.969 35 Q CA 1.579 57.263 55.803 -0.198 0.000 0.838 35 Q CB 0.020 28.641 28.738 -0.194 0.000 0.900 35 Q HN 0.510 8.780 8.270 0.000 0.000 0.436 36 Y N 0.281 120.578 120.300 -0.006 0.000 2.468 36 Y HA 0.203 4.754 4.550 0.001 0.000 0.268 36 Y C 0.728 176.676 175.900 0.079 0.000 1.177 36 Y CA -0.251 57.881 58.100 0.053 0.000 1.265 36 Y CB 0.728 39.197 38.460 0.014 0.000 1.103 36 Y HN -0.018 8.262 8.280 0.000 0.000 0.522 37 S N 2.567 118.346 115.700 0.131 0.000 2.558 37 S HA 0.054 4.524 4.470 0.001 0.000 0.288 37 S C -2.076 172.714 174.600 0.317 0.000 1.318 37 S CA -1.336 56.953 58.200 0.148 0.000 1.056 37 S CB 0.287 63.467 63.200 -0.033 0.000 0.853 37 S HN 0.098 8.408 8.310 0.000 0.000 0.505 38 P HA 0.315 4.735 4.420 0.000 0.000 0.274 38 P C -1.094 176.392 177.300 0.311 0.000 1.256 38 P CA -0.423 62.820 63.100 0.239 0.000 0.795 38 P CB 0.798 32.588 31.700 0.150 0.000 1.038 39 S N -1.781 114.016 115.700 0.161 0.000 2.567 39 S HA 0.324 4.795 4.470 0.001 0.000 0.270 39 S C -0.585 173.988 174.600 -0.044 0.000 1.152 39 S CA -0.873 57.346 58.200 0.031 0.000 0.835 39 S CB 0.757 63.831 63.200 -0.210 0.000 1.115 39 S HN 0.429 8.739 8.310 0.000 0.000 0.459 40 S N 1.913 117.555 115.700 -0.097 0.000 2.525 40 S HA 0.363 4.834 4.470 0.001 0.000 0.285 40 S C 1.276 175.866 174.600 -0.015 0.000 1.283 40 S CA 1.058 59.239 58.200 -0.031 0.000 1.072 40 S CB -1.010 62.253 63.200 0.105 0.000 0.867 40 S HN 2.449 10.759 8.310 0.000 0.000 0.492 41 T N 1.981 116.525 114.554 -0.015 0.000 4.386 41 T HA -0.311 4.039 4.350 0.001 0.000 0.320 41 T C 0.363 175.080 174.700 0.029 0.000 0.916 41 T CA 1.485 63.604 62.100 0.030 0.000 2.028 41 T CB -2.735 66.219 68.868 0.143 0.000 1.935 41 T HN 1.245 9.485 8.240 0.000 0.000 0.894 42 N N -0.177 118.517 118.700 -0.011 0.000 2.708 42 N HA -0.248 4.492 4.740 0.001 0.000 0.249 42 N C 1.097 176.552 175.510 -0.092 0.000 1.097 42 N CA 1.838 54.868 53.050 -0.033 0.000 0.710 42 N CB -1.456 37.033 38.487 0.003 0.000 1.032 42 N HN 1.228 9.607 8.380 0.000 0.000 0.551 43 S N -0.968 114.651 115.700 -0.135 0.000 2.423 43 S HA -0.149 4.321 4.470 0.001 0.000 0.231 43 S C 0.710 175.184 174.600 -0.209 0.000 1.014 43 S CA 1.124 59.255 58.200 -0.115 0.000 0.965 43 S CB -0.200 62.896 63.200 -0.173 0.000 0.785 43 S HN 0.520 8.830 8.310 0.000 0.000 0.495 44 Q N 1.210 120.630 119.800 -0.634 0.000 2.439 44 Q HA -0.106 4.234 4.340 0.001 0.000 0.325 44 Q C -2.287 173.041 176.000 -1.119 0.000 1.372 44 Q CA 0.497 55.486 55.803 -1.357 0.000 0.909 44 Q CB -1.546 26.851 28.738 -0.567 0.000 1.167 44 Q HN 0.589 8.859 8.270 0.000 0.000 0.418 45 P HA 0.045 4.465 4.420 0.000 0.000 0.220 45 P C -1.002 176.095 177.300 -0.339 0.000 1.778 45 P CA 0.277 63.036 63.100 -0.569 0.000 0.912 45 P CB -0.749 30.645 31.700 -0.508 0.000 1.861 46 W N -0.565 120.656 121.300 -0.131 0.000 3.033 46 W HA 0.679 5.339 4.660 0.001 0.000 0.336 46 W C -1.585 174.669 176.519 -0.441 0.000 1.173 46 W CA -1.556 55.629 57.345 -0.267 0.000 1.185 46 W CB 0.247 29.487 29.460 -0.367 0.000 1.425 46 W HN -0.001 8.179 8.180 0.000 0.000 0.536 47 H N 0.479 119.265 119.070 -0.473 0.000 2.717 47 H HA 0.698 5.255 4.556 0.001 0.000 0.366 47 H C -1.670 173.079 175.328 -0.965 0.000 1.132 47 H CA -1.046 54.519 56.048 -0.807 0.000 1.180 47 H CB 1.497 30.653 29.762 -1.011 0.000 1.678 47 H HN 0.295 8.575 8.280 0.000 0.000 0.537 48 F N 4.215 123.871 119.950 -0.490 0.000 2.482 48 F HA 0.431 4.958 4.527 0.001 0.000 0.331 48 F C -0.460 175.122 175.800 -0.362 0.000 1.115 48 F CA -0.876 56.816 58.000 -0.515 0.000 0.955 48 F CB 1.147 39.730 39.000 -0.696 0.000 1.136 48 F HN 0.274 8.574 8.300 0.000 0.000 0.452 49 I N 3.672 124.119 120.570 -0.205 0.000 2.330 49 I HA 0.360 4.530 4.170 0.001 0.000 0.289 49 I C -0.833 175.125 176.117 -0.264 0.000 1.001 49 I CA -0.832 60.312 61.300 -0.260 0.000 1.193 49 I CB 1.418 39.109 38.000 -0.514 0.000 1.345 49 I HN 0.272 8.482 8.210 0.000 0.000 0.461 50 V N 6.354 126.155 119.914 -0.188 0.000 2.318 50 V HA 0.457 4.578 4.120 0.001 0.000 0.271 50 V C 0.550 176.587 176.094 -0.094 0.000 1.030 50 V CA -0.537 61.676 62.300 -0.144 0.000 0.844 50 V CB 1.151 32.911 31.823 -0.106 0.000 1.015 50 V HN 0.813 9.003 8.190 0.000 0.000 0.460 51 A N 3.819 126.575 122.820 -0.107 0.000 2.279 51 A HA 0.595 4.915 4.320 0.001 0.000 0.306 51 A C 0.981 178.475 177.584 -0.150 0.000 1.300 51 A CA 0.133 52.115 52.037 -0.093 0.000 0.925 51 A CB 0.603 19.556 19.000 -0.078 0.000 1.152 51 A HN 0.968 9.118 8.150 0.000 0.000 0.544 52 S N 1.147 116.736 115.700 -0.187 0.000 2.524 52 S HA 0.088 4.559 4.470 0.001 0.000 0.222 52 S C 0.969 175.412 174.600 -0.262 0.000 1.040 52 S CA 0.607 58.564 58.200 -0.405 0.000 0.915 52 S CB -0.500 62.478 63.200 -0.369 0.000 0.831 52 S HN 0.981 9.291 8.310 0.000 0.000 0.492 53 T N 0.337 114.809 114.554 -0.136 0.000 2.874 53 T HA 0.433 4.784 4.350 0.001 0.000 0.281 53 T C 0.764 175.418 174.700 -0.076 0.000 0.994 53 T CA -0.574 61.473 62.100 -0.089 0.000 1.015 53 T CB 0.915 69.755 68.868 -0.047 0.000 1.028 53 T HN -0.074 8.166 8.240 0.000 0.000 0.523 54 E N 0.503 120.670 120.200 -0.056 0.000 2.110 54 E HA -0.149 4.202 4.350 0.001 0.000 0.193 54 E C 1.889 178.472 176.600 -0.028 0.000 0.988 54 E CA 1.377 57.752 56.400 -0.042 0.000 0.804 54 E CB -0.222 29.460 29.700 -0.030 0.000 0.745 54 E HN 0.961 9.321 8.360 0.000 0.000 0.458 55 E N 0.342 120.528 120.200 -0.023 0.000 2.072 55 E HA -0.114 4.236 4.350 0.001 0.000 0.191 55 E C 2.148 178.749 176.600 0.000 0.000 0.985 55 E CA 1.167 57.558 56.400 -0.014 0.000 0.801 55 E CB -0.282 29.409 29.700 -0.015 0.000 0.750 55 E HN 0.210 8.570 8.360 0.000 0.000 0.452 56 G N 1.089 109.895 108.800 0.009 0.000 2.418 56 G HA2 -0.273 3.687 3.960 0.001 0.000 0.217 56 G HA3 -0.273 3.687 3.960 0.001 0.000 0.217 56 G C 1.545 176.478 174.900 0.054 0.000 1.158 56 G CA 0.912 46.045 45.100 0.054 0.000 0.771 56 G HN 0.184 8.474 8.290 0.000 0.000 0.545 57 K N 0.507 120.903 120.400 -0.007 0.000 2.057 57 K HA 0.084 4.405 4.320 0.001 0.000 0.206 57 K C 2.959 179.560 176.600 0.002 0.000 1.050 57 K CA 0.873 57.146 56.287 -0.024 0.000 0.935 57 K CB -0.207 32.255 32.500 -0.063 0.000 0.715 57 K HN 0.261 8.511 8.250 0.000 0.000 0.439 58 A N 1.736 124.557 122.820 0.002 0.000 1.940 58 A HA -0.189 4.131 4.320 0.001 0.000 0.219 58 A C 2.058 179.651 177.584 0.015 0.000 1.176 58 A CA 1.340 53.380 52.037 0.005 0.000 0.631 58 A CB -0.385 18.612 19.000 -0.006 0.000 0.814 58 A HN 0.217 8.367 8.150 0.000 0.000 0.446 59 R N -0.768 119.748 120.500 0.027 0.000 2.081 59 R HA -0.073 4.268 4.340 0.001 0.000 0.235 59 R C 2.028 178.399 176.300 0.120 0.000 1.131 59 R CA 1.448 57.555 56.100 0.012 0.000 0.960 59 R CB -0.508 29.762 30.300 -0.051 0.000 0.856 59 R HN 0.410 8.680 8.270 0.000 0.000 0.436 60 V N 0.914 120.939 119.914 0.186 0.000 2.358 60 V HA -0.191 3.929 4.120 0.001 0.000 0.246 60 V C 2.326 178.459 176.094 0.064 0.000 1.047 60 V CA 1.900 64.288 62.300 0.146 0.000 1.035 60 V CB -0.649 31.184 31.823 0.016 0.000 0.658 60 V HN 0.388 8.578 8.190 0.000 0.000 0.452 61 A N -0.381 122.463 122.820 0.040 0.000 2.172 61 A HA -0.183 4.138 4.320 0.001 0.000 0.216 61 A C 2.177 179.793 177.584 0.053 0.000 1.154 61 A CA 1.370 53.429 52.037 0.037 0.000 0.701 61 A CB -0.472 18.543 19.000 0.024 0.000 0.789 61 A HN 0.583 8.733 8.150 0.000 0.000 0.465 62 K N 0.545 120.977 120.400 0.053 0.000 2.152 62 K HA -0.152 4.169 4.320 0.001 0.000 0.206 62 K C 2.199 178.852 176.600 0.090 0.000 1.048 62 K CA 1.591 57.909 56.287 0.052 0.000 0.933 62 K CB -0.210 32.307 32.500 0.028 0.000 0.721 62 K HN 0.682 8.932 8.250 0.000 0.000 0.447 63 S N 0.691 116.465 115.700 0.124 0.000 2.453 63 S HA 0.001 4.471 4.470 0.001 0.000 0.231 63 S C 1.339 176.075 174.600 0.228 0.000 1.005 63 S CA 0.450 58.768 58.200 0.197 0.000 0.949 63 S CB -0.035 63.322 63.200 0.262 0.000 0.774 63 S HN 0.208 8.518 8.310 0.000 0.000 0.510 64 A N 1.464 124.388 122.820 0.172 0.000 3.037 64 A HA 0.742 5.063 4.320 0.001 0.000 0.272 64 A C 0.434 178.098 177.584 0.133 0.000 1.723 64 A CA -0.033 52.116 52.037 0.186 0.000 1.413 64 A CB -1.164 17.913 19.000 0.128 0.000 1.112 64 A HN 0.806 8.956 8.150 0.000 0.000 0.606 65 A N 0.024 122.949 122.820 0.174 0.000 2.430 65 A HA 0.897 5.218 4.320 0.001 0.000 0.300 65 A C 0.970 178.560 177.584 0.010 0.000 1.124 65 A CA 0.119 52.197 52.037 0.068 0.000 0.766 65 A CB 0.548 19.593 19.000 0.074 0.000 1.328 65 A HN 2.318 10.468 8.150 0.000 0.000 0.424 66 G N 1.164 109.916 108.800 -0.079 0.000 2.596 66 G HA2 -0.345 3.616 3.960 0.001 0.000 0.304 66 G HA3 -0.345 3.616 3.960 0.001 0.000 0.304 66 G C 0.734 175.478 174.900 -0.260 0.000 1.189 66 G CA 0.664 45.677 45.100 -0.145 0.000 0.986 66 G HN 0.919 9.209 8.290 0.000 0.000 0.548 67 N N 0.352 118.829 118.700 -0.372 0.000 2.520 67 N HA -0.019 4.721 4.740 0.001 0.000 0.185 67 N C 1.403 176.704 175.510 -0.349 0.000 1.068 67 N CA 1.474 54.298 53.050 -0.377 0.000 0.911 67 N CB -0.169 38.028 38.487 -0.485 0.000 0.961 67 N HN 0.561 8.941 8.380 0.000 0.000 0.446 68 Y N -0.465 119.812 120.300 -0.037 0.000 2.458 68 Y HA 0.125 4.676 4.550 0.001 0.000 0.256 68 Y C 1.995 177.842 175.900 -0.089 0.000 1.159 68 Y CA -0.580 57.530 58.100 0.016 0.000 1.261 68 Y CB -0.565 37.940 38.460 0.074 0.000 1.119 68 Y HN -0.140 8.140 8.280 0.000 0.000 0.524 69 V N -3.238 116.522 119.914 -0.257 0.000 2.688 69 V HA -0.264 3.856 4.120 0.001 0.000 0.256 69 V C 1.611 177.550 176.094 -0.259 0.000 1.084 69 V CA 1.504 63.613 62.300 -0.319 0.000 1.103 69 V CB -1.144 30.387 31.823 -0.487 0.000 0.688 69 V HN 0.166 8.356 8.190 0.000 0.000 0.480 70 F N 1.263 121.295 119.950 0.138 0.000 2.771 70 F HA 0.187 4.715 4.527 0.001 0.000 0.299 70 F C 1.887 177.783 175.800 0.161 0.000 1.177 70 F CA 0.484 58.567 58.000 0.137 0.000 1.450 70 F CB -0.927 38.148 39.000 0.126 0.000 1.114 70 F HN 0.280 8.580 8.300 0.000 0.000 0.587 71 N N -0.330 118.528 118.700 0.263 0.000 2.184 71 N HA -0.027 4.713 4.740 0.001 0.000 0.206 71 N C 1.721 177.327 175.510 0.160 0.000 1.151 71 N CA 0.133 53.317 53.050 0.223 0.000 0.878 71 N CB 0.076 38.701 38.487 0.230 0.000 1.014 71 N HN 0.391 8.771 8.380 0.000 0.000 0.512 72 E N 1.191 121.466 120.200 0.125 0.000 2.051 72 E HA -0.080 4.270 4.350 0.001 0.000 0.192 72 E C 1.505 178.159 176.600 0.090 0.000 0.991 72 E CA 0.829 57.281 56.400 0.087 0.000 0.799 72 E CB 0.290 30.022 29.700 0.053 0.000 0.748 72 E HN 0.051 8.411 8.360 0.000 0.000 0.449 73 R N 0.750 121.320 120.500 0.116 0.000 2.120 73 R HA -0.091 4.249 4.340 0.001 0.000 0.234 73 R C 2.179 178.571 176.300 0.154 0.000 1.123 73 R CA 0.993 57.168 56.100 0.124 0.000 0.975 73 R CB -0.244 30.141 30.300 0.143 0.000 0.866 73 R HN 0.192 8.462 8.270 0.000 0.000 0.446 74 K N -0.088 120.427 120.400 0.191 0.000 2.063 74 K HA -0.086 4.234 4.320 0.001 0.000 0.208 74 K C 2.182 178.809 176.600 0.044 0.000 1.048 74 K CA 1.579 58.019 56.287 0.256 0.000 0.928 74 K CB -0.089 32.578 32.500 0.279 0.000 0.713 74 K HN 0.141 8.391 8.250 0.000 0.000 0.442 75 M N -0.057 119.554 119.600 0.020 0.000 2.236 75 M HA -0.097 4.383 4.480 0.001 0.000 0.266 75 M C 1.756 178.015 176.300 -0.068 0.000 1.070 75 M CA 0.894 56.161 55.300 -0.055 0.000 1.137 75 M CB -0.042 32.545 32.600 -0.022 0.000 1.378 75 M HN 0.053 8.343 8.290 0.000 0.000 0.426 76 L N 0.299 121.513 121.223 -0.015 0.000 2.109 76 L HA -0.126 4.215 4.340 0.001 0.000 0.207 76 L C 1.597 178.456 176.870 -0.019 0.000 1.086 76 L CA 1.861 56.695 54.840 -0.011 0.000 0.760 76 L CB -0.797 41.275 42.059 0.022 0.000 0.910 76 L HN 0.203 8.433 8.230 0.000 0.000 0.437 77 D N -0.899 119.505 120.400 0.007 0.000 2.366 77 D HA 0.161 4.802 4.640 0.001 0.000 0.205 77 D C 1.028 177.322 176.300 -0.011 0.000 1.022 77 D CA 0.366 54.395 54.000 0.047 0.000 0.868 77 D CB 0.227 41.117 40.800 0.150 0.000 0.953 77 D HN 0.173 8.543 8.370 0.000 0.000 0.514 78 A N 0.425 123.092 122.820 -0.255 0.000 2.406 78 A HA 0.191 4.511 4.320 0.001 0.000 0.243 78 A C 1.699 179.150 177.584 -0.222 0.000 1.082 78 A CA 0.219 51.940 52.037 -0.526 0.000 0.786 78 A CB 0.636 19.028 19.000 -1.012 0.000 1.029 78 A HN 0.059 8.209 8.150 0.000 0.000 0.495 79 S N -0.185 115.437 115.700 -0.130 0.000 2.345 79 S HA -0.045 4.426 4.470 0.001 0.000 0.220 79 S C 0.526 175.043 174.600 -0.137 0.000 1.031 79 S CA 1.411 59.599 58.200 -0.021 0.000 0.996 79 S CB -0.387 62.919 63.200 0.178 0.000 0.882 79 S HN 0.795 9.105 8.310 0.000 0.000 0.445 80 H N -1.062 117.922 119.070 -0.143 0.000 2.679 80 H HA 0.633 5.190 4.556 0.001 0.000 0.360 80 H C -1.311 173.925 175.328 -0.152 0.000 1.105 80 H CA -0.542 55.433 56.048 -0.121 0.000 1.196 80 H CB 1.926 31.637 29.762 -0.084 0.000 1.636 80 H HN 0.039 8.319 8.280 0.000 0.000 0.531 81 V N 3.744 123.625 119.914 -0.055 0.000 2.444 81 V HA 0.302 4.423 4.120 0.001 0.000 0.294 81 V C -0.526 175.492 176.094 -0.127 0.000 1.022 81 V CA -0.799 61.439 62.300 -0.103 0.000 0.850 81 V CB 1.696 33.438 31.823 -0.135 0.000 0.992 81 V HN 0.503 8.693 8.190 0.000 0.000 0.426 82 V N 5.679 125.509 119.914 -0.140 0.000 2.370 82 V HA 0.404 4.525 4.120 0.001 0.000 0.279 82 V C -0.005 175.928 176.094 -0.268 0.000 1.029 82 V CA -0.590 61.536 62.300 -0.291 0.000 0.870 82 V CB 1.794 33.306 31.823 -0.517 0.000 0.984 82 V HN 0.623 8.813 8.190 0.000 0.000 0.451 83 V N 5.679 125.396 119.914 -0.328 0.000 2.364 83 V HA 0.407 4.527 4.120 0.001 0.000 0.272 83 V C -0.309 175.627 176.094 -0.263 0.000 1.036 83 V CA -0.365 61.770 62.300 -0.274 0.000 0.880 83 V CB 0.747 32.360 31.823 -0.350 0.000 0.991 83 V HN 0.638 8.828 8.190 0.000 0.000 0.460 84 F N 3.541 123.373 119.950 -0.196 0.000 2.411 84 F HA 0.468 4.995 4.527 0.001 0.000 0.355 84 F C 0.594 176.332 175.800 -0.104 0.000 1.117 84 F CA -0.201 57.721 58.000 -0.130 0.000 1.139 84 F CB 0.842 39.746 39.000 -0.160 0.000 1.120 84 F HN 0.427 8.727 8.300 0.000 0.000 0.493 85 C N 2.628 121.938 119.300 0.017 0.000 2.493 85 C HA 0.898 5.359 4.460 0.001 0.000 0.326 85 C C 0.209 175.270 174.990 0.119 0.000 1.200 85 C CA -0.968 58.083 59.018 0.055 0.000 1.739 85 C CB 0.890 28.617 27.740 -0.021 0.000 2.300 85 C HN 0.911 9.141 8.230 0.000 0.000 0.500 86 A N 1.929 124.842 122.820 0.155 0.000 2.340 86 A HA 0.676 4.996 4.320 0.001 0.000 0.331 86 A C -0.394 177.226 177.584 0.061 0.000 1.140 86 A CA -0.584 51.520 52.037 0.112 0.000 0.801 86 A CB 0.489 19.532 19.000 0.071 0.000 1.234 86 A HN 0.895 9.045 8.150 0.000 0.000 0.469 87 K N 0.462 120.765 120.400 -0.162 0.000 2.469 87 K HA 0.148 4.469 4.320 0.001 0.000 0.274 87 K C 1.111 177.538 176.600 -0.290 0.000 0.983 87 K CA 0.804 56.782 56.287 -0.515 0.000 0.974 87 K CB 0.429 32.519 32.500 -0.684 0.000 0.913 87 K HN 0.827 9.077 8.250 0.000 0.000 0.493 88 T N -1.534 112.841 114.554 -0.298 0.000 3.054 88 T HA 0.203 4.554 4.350 0.001 0.000 0.259 88 T C 0.460 175.087 174.700 -0.121 0.000 1.092 88 T CA -0.053 61.956 62.100 -0.152 0.000 1.121 88 T CB 0.331 69.128 68.868 -0.118 0.000 0.912 88 T HN 0.539 8.779 8.240 0.000 0.000 0.489 89 A N 0.997 123.714 122.820 -0.171 0.000 2.488 89 A HA 0.745 5.066 4.320 0.001 0.000 0.298 89 A C -0.967 176.546 177.584 -0.119 0.000 1.044 89 A CA -0.954 51.025 52.037 -0.098 0.000 0.693 89 A CB 1.442 20.402 19.000 -0.067 0.000 1.272 89 A HN 0.235 8.385 8.150 0.000 0.000 0.402 90 M N 3.804 123.390 119.600 -0.024 0.000 2.094 90 M HA 0.324 4.805 4.480 0.001 0.000 0.348 90 M C -0.585 175.752 176.300 0.061 0.000 1.267 90 M CA -0.808 54.503 55.300 0.019 0.000 1.125 90 M CB -0.212 32.484 32.600 0.160 0.000 1.527 90 M HN 0.718 9.008 8.290 0.000 0.000 0.447 91 D N 2.306 122.744 120.400 0.065 0.000 2.326 91 D HA 0.263 4.904 4.640 0.001 0.000 0.248 91 D C -0.408 175.973 176.300 0.135 0.000 1.001 91 D CA -0.503 53.547 54.000 0.083 0.000 0.961 91 D CB 0.829 41.663 40.800 0.057 0.000 1.183 91 D HN 0.416 8.786 8.370 0.000 0.000 0.502 92 D N 0.082 120.543 120.400 0.102 0.000 2.219 92 D HA -0.079 4.561 4.640 0.001 0.000 0.205 92 D C 2.082 178.444 176.300 0.104 0.000 0.970 92 D CA 0.527 54.586 54.000 0.098 0.000 0.851 92 D CB 0.097 40.936 40.800 0.064 0.000 0.943 92 D HN 0.186 8.556 8.370 0.000 0.000 0.488 93 V N 0.436 120.419 119.914 0.115 0.000 2.343 93 V HA -0.206 3.914 4.120 0.001 0.000 0.247 93 V C 2.174 178.353 176.094 0.142 0.000 1.051 93 V CA 1.274 63.641 62.300 0.112 0.000 1.036 93 V CB -0.399 31.496 31.823 0.120 0.000 0.654 93 V HN 0.419 8.609 8.190 0.000 0.000 0.451 94 W N 0.253 121.556 121.300 0.006 0.000 2.381 94 W HA -0.118 4.542 4.660 0.001 0.000 0.301 94 W C 2.169 178.691 176.519 0.006 0.000 1.205 94 W CA 1.421 58.765 57.345 -0.001 0.000 1.285 94 W CB -0.140 29.306 29.460 -0.024 0.000 1.133 94 W HN 0.247 8.427 8.180 0.000 0.000 0.521 95 L N 0.680 122.007 121.223 0.174 0.000 2.083 95 L HA -0.255 4.085 4.340 0.001 0.000 0.209 95 L C 2.525 179.399 176.870 0.006 0.000 1.083 95 L CA 1.705 56.602 54.840 0.095 0.000 0.752 95 L CB -0.940 41.202 42.059 0.138 0.000 0.899 95 L HN -0.083 8.147 8.230 0.000 0.000 0.433 96 K N 0.813 121.213 120.400 -0.000 0.000 2.057 96 K HA -0.144 4.177 4.320 0.001 0.000 0.206 96 K C 2.169 178.722 176.600 -0.077 0.000 1.050 96 K CA 1.025 57.299 56.287 -0.021 0.000 0.935 96 K CB -0.033 32.465 32.500 -0.003 0.000 0.715 96 K HN 0.194 8.444 8.250 0.000 0.000 0.439 97 L N 0.606 121.729 121.223 -0.166 0.000 2.042 97 L HA -0.206 4.134 4.340 0.001 0.000 0.210 97 L C 2.377 179.090 176.870 -0.261 0.000 1.076 97 L CA 1.013 55.697 54.840 -0.261 0.000 0.749 97 L CB -0.373 41.390 42.059 -0.494 0.000 0.893 97 L HN 0.058 8.288 8.230 0.000 0.000 0.432 98 V N -1.039 118.694 119.914 -0.301 0.000 2.261 98 V HA -0.267 3.853 4.120 0.001 0.000 0.246 98 V C 2.286 178.354 176.094 -0.044 0.000 1.047 98 V CA 1.760 63.939 62.300 -0.202 0.000 1.015 98 V CB -0.187 31.534 31.823 -0.170 0.000 0.642 98 V HN 0.278 8.468 8.190 0.000 0.000 0.446 99 V N 0.074 119.999 119.914 0.017 0.000 2.427 99 V HA -0.220 3.901 4.120 0.001 0.000 0.248 99 V C 2.194 178.391 176.094 0.170 0.000 1.051 99 V CA 2.337 64.723 62.300 0.143 0.000 1.048 99 V CB -0.448 31.428 31.823 0.089 0.000 0.666 99 V HN 0.587 8.777 8.190 0.000 0.000 0.456 100 D N -0.625 119.810 120.400 0.057 0.000 2.144 100 D HA -0.187 4.454 4.640 0.001 0.000 0.199 100 D C 2.087 178.409 176.300 0.038 0.000 0.984 100 D CA 1.539 55.568 54.000 0.049 0.000 0.834 100 D CB -0.145 40.653 40.800 -0.003 0.000 0.955 100 D HN 0.525 8.895 8.370 0.000 0.000 0.465 101 Q N 0.953 120.747 119.800 -0.010 0.000 2.083 101 Q HA -0.091 4.250 4.340 0.001 0.000 0.198 101 Q C 1.767 177.746 176.000 -0.034 0.000 0.969 101 Q CA 1.324 57.105 55.803 -0.036 0.000 0.838 101 Q CB -0.059 28.630 28.738 -0.083 0.000 0.900 101 Q HN 0.287 8.557 8.270 0.000 0.000 0.436 102 E N 0.013 120.198 120.200 -0.024 0.000 2.118 102 E HA -0.211 4.140 4.350 0.001 0.000 0.195 102 E C 1.508 177.960 176.600 -0.247 0.000 0.992 102 E CA 1.201 57.509 56.400 -0.154 0.000 0.804 102 E CB -0.124 29.476 29.700 -0.168 0.000 0.741 102 E HN 0.444 8.804 8.360 0.000 0.000 0.458 103 D N 0.421 120.848 120.400 0.045 0.000 2.097 103 D HA -0.112 4.528 4.640 0.001 0.000 0.195 103 D C 1.895 178.218 176.300 0.038 0.000 0.989 103 D CA 1.463 55.564 54.000 0.167 0.000 0.827 103 D CB -0.112 40.886 40.800 0.331 0.000 0.966 103 D HN 0.121 8.491 8.370 0.000 0.000 0.456 104 A N 0.354 123.186 122.820 0.020 0.000 1.972 104 A HA -0.158 4.162 4.320 0.001 0.000 0.219 104 A C 1.811 179.383 177.584 -0.021 0.000 1.169 104 A CA 1.729 53.767 52.037 0.002 0.000 0.635 104 A CB -0.410 18.589 19.000 -0.002 0.000 0.810 104 A HN 0.187 8.337 8.150 0.000 0.000 0.446 105 D N -1.368 119.002 120.400 -0.050 0.000 2.355 105 D HA 0.203 4.844 4.640 0.001 0.000 0.218 105 D C 1.274 177.528 176.300 -0.078 0.000 1.004 105 D CA 1.173 55.140 54.000 -0.056 0.000 0.880 105 D CB 0.076 40.839 40.800 -0.062 0.000 0.911 105 D HN 0.631 9.001 8.370 0.000 0.000 0.528 106 G N 1.430 110.170 108.800 -0.101 0.000 2.140 106 G HA2 -0.298 3.663 3.960 0.001 0.000 0.211 106 G HA3 -0.298 3.663 3.960 0.001 0.000 0.211 106 G C 0.946 175.751 174.900 -0.158 0.000 1.013 106 G CA -0.194 44.853 45.100 -0.088 0.000 0.705 106 G HN 0.301 8.591 8.290 0.000 0.000 0.508 107 R N -0.966 119.322 120.500 -0.354 0.000 2.299 107 R HA 0.291 4.631 4.340 0.001 0.000 0.197 107 R C 0.122 176.133 176.300 -0.482 0.000 0.971 107 R CA 0.464 56.272 56.100 -0.487 0.000 1.030 107 R CB 0.153 30.033 30.300 -0.699 0.000 0.932 107 R HN 0.446 8.716 8.270 0.000 0.000 0.477 108 F N -1.111 118.846 119.950 0.011 0.000 2.493 108 F HA 0.371 4.899 4.527 0.001 0.000 0.329 108 F C 0.936 176.741 175.800 0.009 0.000 1.126 108 F CA -1.020 56.986 58.000 0.010 0.000 0.937 108 F CB 1.727 40.732 39.000 0.009 0.000 1.146 108 F HN -0.163 8.137 8.300 0.000 0.000 0.442 109 A N 1.618 124.556 122.820 0.197 0.000 1.975 109 A HA 0.123 4.443 4.320 0.001 0.000 0.215 109 A C 0.900 178.539 177.584 0.092 0.000 1.170 109 A CA 1.275 53.377 52.037 0.108 0.000 0.656 109 A CB -0.309 18.737 19.000 0.077 0.000 0.821 109 A HN 0.695 8.845 8.150 0.000 0.000 0.449 110 T N -5.718 108.892 114.554 0.094 0.000 2.896 110 T HA 0.534 4.885 4.350 0.001 0.000 0.297 110 T C -2.598 172.113 174.700 0.018 0.000 1.108 110 T CA -1.629 60.499 62.100 0.047 0.000 1.004 110 T CB 1.720 70.603 68.868 0.024 0.000 1.159 110 T HN -0.136 8.104 8.240 0.000 0.000 0.499 111 P HA -0.118 4.302 4.420 0.000 0.000 0.218 111 P C 1.272 178.524 177.300 -0.080 0.000 1.146 111 P CA 1.017 64.093 63.100 -0.042 0.000 0.813 111 P CB 0.123 31.810 31.700 -0.023 0.000 0.778 112 E N -0.514 119.652 120.200 -0.056 0.000 2.230 112 E HA 0.006 4.357 4.350 0.001 0.000 0.192 112 E C 1.952 178.498 176.600 -0.089 0.000 0.987 112 E CA 1.032 57.395 56.400 -0.062 0.000 0.841 112 E CB -1.211 28.470 29.700 -0.032 0.000 0.783 112 E HN 0.191 8.551 8.360 0.000 0.000 0.481 113 A N 2.115 124.887 122.820 -0.081 0.000 1.930 113 A HA -0.155 4.165 4.320 0.001 0.000 0.217 113 A C 2.225 179.586 177.584 -0.372 0.000 1.175 113 A CA 1.715 53.702 52.037 -0.083 0.000 0.627 113 A CB -0.419 18.628 19.000 0.078 0.000 0.815 113 A HN 0.211 8.361 8.150 0.000 0.000 0.443 114 K N -0.173 119.853 120.400 -0.624 0.000 2.026 114 K HA -0.083 4.238 4.320 0.001 0.000 0.208 114 K C 2.135 178.389 176.600 -0.577 0.000 1.048 114 K CA 1.285 56.886 56.287 -1.145 0.000 0.929 114 K CB -0.343 31.733 32.500 -0.707 0.000 0.713 114 K HN 0.339 8.589 8.250 0.000 0.000 0.439 115 A N 0.914 123.552 122.820 -0.303 0.000 1.902 115 A HA -0.094 4.227 4.320 0.001 0.000 0.217 115 A C 2.311 179.817 177.584 -0.129 0.000 1.181 115 A CA 1.865 53.801 52.037 -0.168 0.000 0.623 115 A CB -0.803 18.134 19.000 -0.105 0.000 0.818 115 A HN 0.494 8.644 8.150 0.000 0.000 0.443 116 A N 0.074 122.817 122.820 -0.128 0.000 1.930 116 A HA -0.185 4.135 4.320 0.001 0.000 0.217 116 A C 1.933 179.494 177.584 -0.037 0.000 1.175 116 A CA 1.938 53.936 52.037 -0.065 0.000 0.627 116 A CB -0.752 18.222 19.000 -0.044 0.000 0.815 116 A HN 0.677 8.827 8.150 0.000 0.000 0.443 117 N N -0.163 118.486 118.700 -0.086 0.000 2.142 117 N HA -0.190 4.550 4.740 0.001 0.000 0.186 117 N C 1.511 177.040 175.510 0.032 0.000 1.023 117 N CA 1.748 54.804 53.050 0.010 0.000 0.852 117 N CB -0.259 38.245 38.487 0.027 0.000 0.998 117 N HN 0.443 8.823 8.380 0.000 0.000 0.424 118 D N 0.036 120.407 120.400 -0.047 0.000 2.097 118 D HA -0.171 4.470 4.640 0.001 0.000 0.195 118 D C 1.834 178.166 176.300 0.054 0.000 0.989 118 D CA 1.162 55.165 54.000 0.005 0.000 0.827 118 D CB -0.047 40.726 40.800 -0.044 0.000 0.966 118 D HN 0.218 8.588 8.370 0.000 0.000 0.456 119 K N -0.735 119.684 120.400 0.033 0.000 2.097 119 K HA -0.042 4.278 4.320 0.001 0.000 0.205 119 K C 2.121 178.793 176.600 0.119 0.000 1.050 119 K CA 1.230 57.552 56.287 0.059 0.000 0.938 119 K CB -0.338 32.175 32.500 0.021 0.000 0.718 119 K HN 0.214 8.464 8.250 0.000 0.000 0.442 120 G N 0.905 109.780 108.800 0.125 0.000 2.421 120 G HA2 -0.291 3.670 3.960 0.001 0.000 0.216 120 G HA3 -0.291 3.670 3.960 0.001 0.000 0.216 120 G C 1.507 176.640 174.900 0.388 0.000 1.171 120 G CA 0.806 46.034 45.100 0.214 0.000 0.775 120 G HN 0.294 8.584 8.290 0.000 0.000 0.543 121 R N 0.519 121.200 120.500 0.301 0.000 2.081 121 R HA -0.025 4.315 4.340 0.001 0.000 0.235 121 R C 2.445 178.940 176.300 0.324 0.000 1.131 121 R CA 1.577 57.877 56.100 0.333 0.000 0.960 121 R CB -0.213 30.224 30.300 0.229 0.000 0.856 121 R HN 0.275 8.545 8.270 0.000 0.000 0.436 122 K N -0.512 120.024 120.400 0.227 0.000 2.211 122 K HA -0.143 4.178 4.320 0.001 0.000 0.203 122 K C 1.787 178.460 176.600 0.122 0.000 1.050 122 K CA 1.257 57.639 56.287 0.157 0.000 0.945 122 K CB -0.206 32.356 32.500 0.105 0.000 0.732 122 K HN 0.162 8.412 8.250 0.000 0.000 0.451 123 F N 0.701 120.656 119.950 0.008 0.000 2.095 123 F HA -0.230 4.298 4.527 0.001 0.000 0.298 123 F C 1.643 177.308 175.800 -0.226 0.000 1.104 123 F CA 1.549 59.466 58.000 -0.138 0.000 1.232 123 F CB -0.195 38.678 39.000 -0.211 0.000 0.987 123 F HN -0.116 8.184 8.300 0.000 0.000 0.475 124 F N 0.362 120.312 119.950 0.000 0.000 2.163 124 F HA -0.041 4.487 4.527 0.001 0.000 0.297 124 F C 2.593 178.159 175.800 -0.391 0.000 1.094 124 F CA 1.188 59.068 58.000 -0.199 0.000 1.290 124 F CB -1.179 37.877 39.000 0.093 0.000 1.017 124 F HN 0.075 8.375 8.300 0.000 0.000 0.483 125 A N 0.008 122.839 122.820 0.017 0.000 1.883 125 A HA -0.211 4.110 4.320 0.001 0.000 0.217 125 A C 1.910 179.413 177.584 -0.136 0.000 1.186 125 A CA 2.165 54.193 52.037 -0.016 0.000 0.624 125 A CB -0.850 18.270 19.000 0.200 0.000 0.822 125 A HN 0.269 8.419 8.150 0.000 0.000 0.444 126 D N -0.980 119.312 120.400 -0.180 0.000 2.178 126 D HA -0.138 4.502 4.640 0.001 0.000 0.201 126 D C 1.840 177.905 176.300 -0.392 0.000 0.980 126 D CA 1.390 55.250 54.000 -0.234 0.000 0.842 126 D CB -0.339 40.335 40.800 -0.210 0.000 0.948 126 D HN 0.514 8.884 8.370 0.000 0.000 0.472 127 M N -0.370 118.866 119.600 -0.607 0.000 2.108 127 M HA -0.223 4.257 4.480 0.001 0.000 0.261 127 M C 1.669 177.544 176.300 -0.709 0.000 1.066 127 M CA 1.756 56.600 55.300 -0.759 0.000 1.107 127 M CB -0.017 31.966 32.600 -1.028 0.000 1.356 127 M HN 0.097 8.387 8.290 0.000 0.000 0.406 128 H N -1.065 117.724 119.070 -0.468 0.000 2.329 128 H HA 0.012 4.568 4.556 0.001 0.000 0.306 128 H C 2.060 177.250 175.328 -0.229 0.000 1.062 128 H CA 1.707 57.536 56.048 -0.364 0.000 1.364 128 H CB -0.154 29.316 29.762 -0.486 0.000 1.409 128 H HN 0.401 8.681 8.280 0.000 0.000 0.519 129 R N 1.050 121.511 120.500 -0.065 0.000 2.200 129 R HA 0.058 4.399 4.340 0.001 0.000 0.208 129 R C 1.108 177.348 176.300 -0.101 0.000 1.033 129 R CA 1.110 57.198 56.100 -0.020 0.000 1.000 129 R CB 0.118 30.442 30.300 0.039 0.000 0.906 129 R HN 0.257 8.527 8.270 0.000 0.000 0.462 130 K N 0.068 120.331 120.400 -0.229 0.000 2.286 130 K HA 0.107 4.427 4.320 0.001 0.000 0.203 130 K C 1.130 177.391 176.600 -0.566 0.000 1.078 130 K CA 0.559 56.678 56.287 -0.280 0.000 0.957 130 K CB 0.256 32.657 32.500 -0.164 0.000 1.018 130 K HN -0.003 8.247 8.250 0.000 0.000 0.484 131 D N 1.404 121.514 120.400 -0.483 0.000 2.106 131 D HA -0.041 4.599 4.640 0.001 0.000 0.203 131 D C 1.882 177.894 176.300 -0.480 0.000 0.977 131 D CA 1.143 54.885 54.000 -0.429 0.000 0.844 131 D CB -0.044 40.541 40.800 -0.358 0.000 1.002 131 D HN 0.019 8.389 8.370 0.000 0.000 0.461 132 L N -0.772 120.203 121.223 -0.413 0.000 2.477 132 L HA 0.123 4.463 4.340 0.001 0.000 0.220 132 L C -0.222 176.579 176.870 -0.116 0.000 1.106 132 L CA 0.103 54.812 54.840 -0.220 0.000 0.851 132 L CB -0.523 41.445 42.059 -0.152 0.000 0.994 132 L HN 0.176 8.406 8.230 0.000 0.000 0.462 133 H N 0.497 119.549 119.070 -0.030 0.000 2.677 133 H HA -0.169 4.387 4.556 0.001 0.000 0.321 133 H C -0.072 175.273 175.328 0.028 0.000 1.171 133 H CA 0.670 56.717 56.048 -0.001 0.000 1.139 133 H CB -1.405 28.351 29.762 -0.009 0.000 1.515 133 H HN 0.572 8.852 8.280 0.000 0.000 0.423 134 D N -0.238 120.228 120.400 0.111 0.000 2.692 134 D HA -0.013 4.627 4.640 0.001 0.000 0.290 134 D C 1.052 177.456 176.300 0.174 0.000 1.455 134 D CA 0.299 54.379 54.000 0.133 0.000 0.796 134 D CB -0.034 40.845 40.800 0.130 0.000 1.131 134 D HN 0.485 8.855 8.370 0.000 0.000 0.467 135 D N 1.057 121.563 120.400 0.176 0.000 2.219 135 D HA -0.150 4.491 4.640 0.001 0.000 0.205 135 D C 1.708 178.119 176.300 0.185 0.000 0.970 135 D CA 0.961 55.110 54.000 0.248 0.000 0.851 135 D CB -0.190 40.749 40.800 0.233 0.000 0.943 135 D HN 0.225 8.595 8.370 0.000 0.000 0.488 136 A N 1.408 124.291 122.820 0.106 0.000 1.883 136 A HA -0.201 4.120 4.320 0.001 0.000 0.217 136 A C 2.225 179.847 177.584 0.063 0.000 1.186 136 A CA 1.517 53.587 52.037 0.055 0.000 0.624 136 A CB -0.407 18.616 19.000 0.038 0.000 0.822 136 A HN 0.106 8.256 8.150 0.000 0.000 0.444 137 E N -1.580 118.672 120.200 0.088 0.000 2.107 137 E HA -0.185 4.166 4.350 0.001 0.000 0.191 137 E C 1.732 178.392 176.600 0.101 0.000 0.982 137 E CA 1.005 57.451 56.400 0.078 0.000 0.809 137 E CB -0.374 29.370 29.700 0.073 0.000 0.756 137 E HN 0.862 9.222 8.360 0.000 0.000 0.459 138 W N 1.673 122.911 121.300 -0.103 0.000 2.335 138 W HA -0.152 4.508 4.660 0.001 0.000 0.311 138 W C 2.115 178.550 176.519 -0.141 0.000 1.213 138 W CA 1.650 58.863 57.345 -0.220 0.000 1.274 138 W CB -0.456 28.672 29.460 -0.554 0.000 1.148 138 W HN -0.039 8.141 8.180 0.000 0.000 0.498 139 M N 0.066 119.548 119.600 -0.197 0.000 2.175 139 M HA -0.133 4.348 4.480 0.001 0.000 0.264 139 M C 2.306 178.521 176.300 -0.141 0.000 1.063 139 M CA 1.837 56.931 55.300 -0.344 0.000 1.119 139 M CB -0.885 31.576 32.600 -0.232 0.000 1.377 139 M HN 0.116 8.406 8.290 0.000 0.000 0.415 140 A N 0.647 123.457 122.820 -0.018 0.000 1.933 140 A HA -0.182 4.139 4.320 0.001 0.000 0.218 140 A C 2.080 179.757 177.584 0.154 0.000 1.175 140 A CA 1.715 53.813 52.037 0.101 0.000 0.628 140 A CB -0.485 18.576 19.000 0.102 0.000 0.814 140 A HN 0.418 8.568 8.150 0.000 0.000 0.444 141 K N -0.540 119.885 120.400 0.041 0.000 2.057 141 K HA -0.150 4.170 4.320 0.001 0.000 0.207 141 K C 2.262 178.913 176.600 0.084 0.000 1.049 141 K CA 1.450 57.767 56.287 0.049 0.000 0.931 141 K CB -0.124 32.387 32.500 0.018 0.000 0.714 141 K HN 0.445 8.695 8.250 0.000 0.000 0.440 142 Q N 0.330 120.118 119.800 -0.020 0.000 2.124 142 Q HA -0.107 4.234 4.340 0.001 0.000 0.202 142 Q C 2.265 178.450 176.000 0.309 0.000 0.977 142 Q CA 1.123 56.959 55.803 0.055 0.000 0.850 142 Q CB -0.481 28.151 28.738 -0.177 0.000 0.901 142 Q HN 0.157 8.427 8.270 0.000 0.000 0.429 143 V N 0.185 120.281 119.914 0.304 0.000 2.358 143 V HA -0.238 3.883 4.120 0.001 0.000 0.246 143 V C 1.939 178.111 176.094 0.129 0.000 1.047 143 V CA 1.487 63.991 62.300 0.340 0.000 1.035 143 V CB -0.725 31.267 31.823 0.281 0.000 0.658 143 V HN 0.217 8.407 8.190 0.000 0.000 0.452 144 Y N -0.430 119.889 120.300 0.031 0.000 2.242 144 Y HA -0.176 4.374 4.550 0.001 0.000 0.291 144 Y C 2.241 178.122 175.900 -0.031 0.000 1.137 144 Y CA 1.568 59.643 58.100 -0.041 0.000 1.181 144 Y CB -0.276 38.173 38.460 -0.018 0.000 0.989 144 Y HN 0.142 8.422 8.280 0.000 0.000 0.527 145 L N 0.001 121.328 121.223 0.173 0.000 2.012 145 L HA -0.317 4.023 4.340 0.001 0.000 0.210 145 L C 2.177 179.096 176.870 0.080 0.000 1.073 145 L CA 2.075 56.991 54.840 0.126 0.000 0.748 145 L CB -0.508 41.642 42.059 0.152 0.000 0.891 145 L HN 0.289 8.519 8.230 0.000 0.000 0.431 146 N N -1.218 117.533 118.700 0.086 0.000 2.061 146 N HA -0.226 4.515 4.740 0.001 0.000 0.193 146 N C 1.754 177.226 175.510 -0.063 0.000 1.030 146 N CA 1.823 54.865 53.050 -0.013 0.000 0.856 146 N CB -0.018 38.385 38.487 -0.139 0.000 1.023 146 N HN 0.182 8.562 8.380 0.000 0.000 0.424 147 V N 0.306 120.032 119.914 -0.313 0.000 2.287 147 V HA -0.204 3.916 4.120 0.001 0.000 0.248 147 V C 2.376 178.376 176.094 -0.157 0.000 1.053 147 V CA 2.136 64.105 62.300 -0.553 0.000 1.027 147 V CB -1.300 30.026 31.823 -0.830 0.000 0.646 147 V HN 0.568 8.758 8.190 0.000 0.000 0.447 148 G N -0.124 108.631 108.800 -0.074 0.000 2.418 148 G HA2 -0.341 3.619 3.960 0.001 0.000 0.217 148 G HA3 -0.341 3.619 3.960 0.001 0.000 0.217 148 G C 1.530 176.438 174.900 0.013 0.000 1.158 148 G CA 0.973 46.067 45.100 -0.010 0.000 0.771 148 G HN 0.535 8.825 8.290 0.000 0.000 0.545 149 N N 0.057 118.777 118.700 0.034 0.000 2.120 149 N HA -0.143 4.598 4.740 0.001 0.000 0.188 149 N C 2.043 177.588 175.510 0.058 0.000 1.024 149 N CA 1.230 54.307 53.050 0.045 0.000 0.852 149 N CB -0.289 38.234 38.487 0.060 0.000 1.003 149 N HN 0.349 8.729 8.380 0.000 0.000 0.424 150 F N 1.572 121.480 119.950 -0.069 0.000 2.113 150 F HA -0.055 4.473 4.527 0.001 0.000 0.297 150 F C 2.312 178.077 175.800 -0.059 0.000 1.103 150 F CA 0.943 58.911 58.000 -0.053 0.000 1.248 150 F CB -0.148 38.871 39.000 0.032 0.000 0.999 150 F HN -0.016 8.284 8.300 0.000 0.000 0.475 151 L N -0.391 120.812 121.223 -0.034 0.000 2.046 151 L HA -0.219 4.121 4.340 0.001 0.000 0.208 151 L C 2.356 179.131 176.870 -0.157 0.000 1.077 151 L CA 0.875 55.639 54.840 -0.125 0.000 0.747 151 L CB -0.789 41.242 42.059 -0.046 0.000 0.896 151 L HN 0.260 8.490 8.230 0.000 0.000 0.432 152 L N 0.103 121.265 121.223 -0.103 0.000 2.093 152 L HA -0.033 4.307 4.340 0.001 0.000 0.208 152 L C 2.339 179.132 176.870 -0.128 0.000 1.085 152 L CA 1.891 56.676 54.840 -0.091 0.000 0.755 152 L CB -0.920 41.109 42.059 -0.049 0.000 0.904 152 L HN 0.126 8.356 8.230 0.000 0.000 0.435 153 G N -0.801 107.900 108.800 -0.164 0.000 2.421 153 G HA2 -0.220 3.741 3.960 0.001 0.000 0.216 153 G HA3 -0.220 3.741 3.960 0.001 0.000 0.216 153 G C 1.581 176.324 174.900 -0.262 0.000 1.171 153 G CA 1.413 46.400 45.100 -0.189 0.000 0.775 153 G HN 0.442 8.732 8.290 0.000 0.000 0.543 154 V N -0.755 118.907 119.914 -0.421 0.000 2.427 154 V HA 0.108 4.229 4.120 0.001 0.000 0.248 154 V C 2.958 178.906 176.094 -0.243 0.000 1.051 154 V CA 1.817 63.870 62.300 -0.411 0.000 1.048 154 V CB -1.088 30.373 31.823 -0.603 0.000 0.666 154 V HN 0.405 8.595 8.190 0.000 0.000 0.456 155 A N 1.057 123.756 122.820 -0.202 0.000 1.883 155 A HA -0.003 4.318 4.320 0.001 0.000 0.217 155 A C 2.491 180.018 177.584 -0.095 0.000 1.186 155 A CA 2.558 54.518 52.037 -0.128 0.000 0.624 155 A CB -1.188 17.748 19.000 -0.107 0.000 0.822 155 A HN 1.029 9.179 8.150 0.000 0.000 0.444 156 A N -1.195 121.565 122.820 -0.100 0.000 2.070 156 A HA 0.070 4.390 4.320 0.001 0.000 0.220 156 A C 1.766 179.307 177.584 -0.071 0.000 1.159 156 A CA 1.367 53.360 52.037 -0.074 0.000 0.656 156 A CB -0.350 18.607 19.000 -0.071 0.000 0.800 156 A HN 0.375 8.525 8.150 0.000 0.000 0.453 157 L N -1.233 119.932 121.223 -0.096 0.000 2.552 157 L HA 0.168 4.508 4.340 0.001 0.000 0.227 157 L C 1.763 178.603 176.870 -0.050 0.000 1.146 157 L CA 1.195 55.985 54.840 -0.083 0.000 0.858 157 L CB -1.054 40.932 42.059 -0.121 0.000 0.969 157 L HN 0.676 8.906 8.230 0.000 0.000 0.451 158 G N -0.607 108.167 108.800 -0.044 0.000 2.132 158 G HA2 -0.239 3.721 3.960 0.001 0.000 0.228 158 G HA3 -0.239 3.721 3.960 0.001 0.000 0.228 158 G C 0.168 175.070 174.900 0.003 0.000 1.000 158 G CA 0.081 45.184 45.100 0.004 0.000 0.693 158 G HN 0.266 8.556 8.290 0.000 0.000 0.515 159 L N 0.753 121.922 121.223 -0.090 0.000 2.317 159 L HA 0.502 4.842 4.340 0.001 0.000 0.281 159 L C -0.126 176.659 176.870 -0.142 0.000 1.024 159 L CA -1.165 53.564 54.840 -0.185 0.000 0.810 159 L CB 1.193 43.118 42.059 -0.225 0.000 1.240 159 L HN -0.011 8.219 8.230 0.000 0.000 0.427 160 D N 1.801 122.128 120.400 -0.121 0.000 2.313 160 D HA 0.642 5.283 4.640 0.001 0.000 0.247 160 D C -0.299 176.034 176.300 0.054 0.000 1.094 160 D CA 0.176 54.136 54.000 -0.067 0.000 0.925 160 D CB 2.079 42.855 40.800 -0.038 0.000 1.188 160 D HN 0.632 9.002 8.370 0.000 0.000 0.430 161 A N 0.628 123.458 122.820 0.018 0.000 2.586 161 A HA 0.605 4.926 4.320 0.001 0.000 0.290 161 A C -1.686 175.960 177.584 0.104 0.000 1.086 161 A CA -0.658 51.475 52.037 0.161 0.000 0.665 161 A CB 1.830 20.849 19.000 0.032 0.000 1.279 161 A HN 0.340 8.490 8.150 0.000 0.000 0.423 162 V N 1.743 121.770 119.914 0.188 0.000 2.711 162 V HA 0.696 4.817 4.120 0.001 0.000 0.304 162 V C -2.841 173.309 176.094 0.094 0.000 1.097 162 V CA -1.898 60.466 62.300 0.106 0.000 0.906 162 V CB 2.591 34.502 31.823 0.147 0.000 1.015 162 V HN 0.787 8.977 8.190 0.000 0.000 0.427 163 P HA 0.448 4.868 4.420 0.000 0.000 0.280 163 P C -0.914 176.423 177.300 0.061 0.000 1.244 163 P CA -0.007 63.110 63.100 0.028 0.000 0.784 163 P CB 0.995 32.689 31.700 -0.010 0.000 0.913 164 I N 2.601 123.212 120.570 0.068 0.000 2.468 164 I HA 0.229 4.399 4.170 0.001 0.000 0.285 164 I C 1.062 177.323 176.117 0.240 0.000 1.039 164 I CA -0.234 61.148 61.300 0.136 0.000 1.074 164 I CB 2.155 40.228 38.000 0.122 0.000 1.228 164 I HN 0.297 8.507 8.210 0.000 0.000 0.436 165 E N 3.662 123.983 120.200 0.202 0.000 2.415 165 E HA 0.098 4.449 4.350 0.001 0.000 0.197 165 E C 1.297 177.851 176.600 -0.077 0.000 1.007 165 E CA -0.152 56.337 56.400 0.149 0.000 0.890 165 E CB 0.624 30.384 29.700 0.101 0.000 0.891 165 E HN 0.768 9.128 8.360 0.000 0.000 0.496 166 G N 1.928 110.738 108.800 0.017 0.000 2.985 166 G HA2 0.333 4.294 3.960 0.001 0.000 0.282 166 G HA3 0.333 4.294 3.960 0.001 0.000 0.282 166 G C -0.532 174.152 174.900 -0.359 0.000 0.791 166 G CA -0.080 44.922 45.100 -0.163 0.000 1.934 166 G HN 0.107 8.397 8.290 0.000 0.000 0.563 167 F N -0.834 118.514 119.950 -1.004 0.000 2.693 167 F HA 0.532 5.059 4.527 0.001 0.000 0.309 167 F C -1.379 174.042 175.800 -0.631 0.000 1.129 167 F CA -1.994 55.631 58.000 -0.624 0.000 0.948 167 F CB 1.547 40.424 39.000 -0.204 0.000 1.315 167 F HN 0.041 8.341 8.300 0.000 0.000 0.447 168 D N 2.053 122.407 120.400 -0.076 0.000 2.393 168 D HA 0.402 5.043 4.640 0.001 0.000 0.232 168 D C 0.885 177.243 176.300 0.097 0.000 1.192 168 D CA 0.351 54.365 54.000 0.024 0.000 0.882 168 D CB 1.772 42.709 40.800 0.230 0.000 1.038 168 D HN 0.840 9.210 8.370 0.000 0.000 0.499 169 A N 3.812 126.562 122.820 -0.117 0.000 2.015 169 A HA -0.002 4.319 4.320 0.001 0.000 0.219 169 A C 2.074 179.740 177.584 0.137 0.000 1.163 169 A CA 1.452 53.560 52.037 0.118 0.000 0.646 169 A CB -0.201 18.778 19.000 -0.034 0.000 0.806 169 A HN 0.610 8.760 8.150 0.000 0.000 0.448 170 A N 0.137 123.004 122.820 0.079 0.000 1.902 170 A HA -0.080 4.241 4.320 0.001 0.000 0.217 170 A C 2.091 179.731 177.584 0.095 0.000 1.181 170 A CA 1.518 53.601 52.037 0.078 0.000 0.623 170 A CB -0.535 18.498 19.000 0.056 0.000 0.818 170 A HN 0.489 8.639 8.150 0.000 0.000 0.443 171 I N -1.061 119.577 120.570 0.113 0.000 2.202 171 I HA -0.198 3.973 4.170 0.001 0.000 0.242 171 I C 2.393 178.591 176.117 0.135 0.000 1.091 171 I CA 0.969 62.334 61.300 0.109 0.000 1.368 171 I CB -0.201 37.868 38.000 0.115 0.000 1.058 171 I HN 0.344 8.554 8.210 0.000 0.000 0.410 172 L N 0.809 122.155 121.223 0.205 0.000 2.056 172 L HA -0.216 4.125 4.340 0.001 0.000 0.207 172 L C 1.880 178.904 176.870 0.256 0.000 1.078 172 L CA 1.984 56.974 54.840 0.251 0.000 0.749 172 L CB -0.813 41.407 42.059 0.268 0.000 0.901 172 L HN 0.161 8.391 8.230 0.000 0.000 0.433 173 D N -0.194 120.322 120.400 0.195 0.000 2.097 173 D HA -0.151 4.489 4.640 0.001 0.000 0.195 173 D C 2.212 178.586 176.300 0.124 0.000 0.989 173 D CA 1.601 55.694 54.000 0.155 0.000 0.827 173 D CB -0.251 40.619 40.800 0.116 0.000 0.966 173 D HN 0.449 8.819 8.370 0.000 0.000 0.456 174 A N 0.578 123.450 122.820 0.087 0.000 1.972 174 A HA -0.187 4.134 4.320 0.001 0.000 0.219 174 A C 2.096 179.678 177.584 -0.004 0.000 1.169 174 A CA 1.758 53.819 52.037 0.040 0.000 0.635 174 A CB -0.457 18.559 19.000 0.027 0.000 0.810 174 A HN 0.139 8.289 8.150 0.000 0.000 0.446 175 E N -0.735 119.455 120.200 -0.016 0.000 2.106 175 E HA -0.093 4.258 4.350 0.001 0.000 0.192 175 E C 0.694 177.038 176.600 -0.427 0.000 0.984 175 E CA 1.194 57.465 56.400 -0.215 0.000 0.806 175 E CB -0.310 29.248 29.700 -0.236 0.000 0.750 175 E HN 0.592 8.952 8.360 0.000 0.000 0.458 176 F N -0.831 119.108 119.950 -0.018 0.000 2.647 176 F HA 0.373 4.900 4.527 0.001 0.000 0.300 176 F C 1.321 177.097 175.800 -0.040 0.000 1.106 176 F CA 0.179 58.156 58.000 -0.038 0.000 1.313 176 F CB 0.865 39.829 39.000 -0.059 0.000 1.007 176 F HN 0.124 8.424 8.300 0.000 0.000 0.536 177 G N 0.804 109.651 108.800 0.078 0.000 2.283 177 G HA2 -0.323 3.637 3.960 0.001 0.000 0.280 177 G HA3 -0.323 3.637 3.960 0.001 0.000 0.280 177 G C 1.026 175.964 174.900 0.064 0.000 1.029 177 G CA 0.389 45.520 45.100 0.050 0.000 0.840 177 G HN 0.294 8.584 8.290 0.000 0.000 0.505 178 L N 0.149 121.425 121.223 0.088 0.000 2.046 178 L HA 0.061 4.402 4.340 0.001 0.000 0.208 178 L C 2.763 179.684 176.870 0.085 0.000 1.077 178 L CA 2.716 57.609 54.840 0.089 0.000 0.747 178 L CB -0.765 41.353 42.059 0.099 0.000 0.896 178 L HN 0.533 8.763 8.230 0.000 0.000 0.432 179 K N 0.072 120.508 120.400 0.059 0.000 2.044 179 K HA -0.240 4.080 4.320 0.001 0.000 0.210 179 K C 2.012 178.621 176.600 0.015 0.000 1.049 179 K CA 1.842 58.148 56.287 0.031 0.000 0.927 179 K CB -0.155 32.360 32.500 0.026 0.000 0.713 179 K HN 0.529 8.779 8.250 0.000 0.000 0.443 180 E N 0.243 120.457 120.200 0.023 0.000 2.153 180 E HA -0.205 4.146 4.350 0.001 0.000 0.194 180 E C 1.081 177.694 176.600 0.021 0.000 0.988 180 E CA 1.004 57.413 56.400 0.016 0.000 0.811 180 E CB 0.042 29.753 29.700 0.018 0.000 0.746 180 E HN 0.170 8.530 8.360 0.000 0.000 0.466 181 K N 0.104 120.533 120.400 0.049 0.000 2.426 181 K HA 0.078 4.398 4.320 0.001 0.000 0.193 181 K C 1.073 177.697 176.600 0.041 0.000 1.028 181 K CA 0.758 57.099 56.287 0.091 0.000 1.047 181 K CB 0.520 33.103 32.500 0.139 0.000 0.821 181 K HN 0.382 8.632 8.250 0.000 0.000 0.513 182 G N 1.134 109.891 108.800 -0.073 0.000 2.165 182 G HA2 -0.253 3.708 3.960 0.001 0.000 0.226 182 G HA3 -0.253 3.708 3.960 0.001 0.000 0.226 182 G C -0.568 173.961 174.900 -0.618 0.000 1.035 182 G CA -0.147 44.764 45.100 -0.314 0.000 0.744 182 G HN 0.239 8.529 8.290 0.000 0.000 0.501 183 Y N -1.337 118.901 120.300 -0.104 0.000 2.609 183 Y HA 0.823 5.374 4.550 0.001 0.000 0.342 183 Y C 0.379 176.247 175.900 -0.053 0.000 1.058 183 Y CA -0.439 57.597 58.100 -0.107 0.000 1.055 183 Y CB 2.370 40.739 38.460 -0.151 0.000 1.292 183 Y HN 0.236 8.516 8.280 0.000 0.000 0.476 184 T N 0.963 115.605 114.554 0.146 0.000 2.993 184 T HA 0.431 4.782 4.350 0.001 0.000 0.312 184 T C -1.255 173.527 174.700 0.136 0.000 1.115 184 T CA -0.853 61.316 62.100 0.115 0.000 1.027 184 T CB 0.530 69.444 68.868 0.077 0.000 1.116 184 T HN 0.716 8.956 8.240 0.000 0.000 0.464 185 S N 4.627 120.423 115.700 0.160 0.000 2.548 185 S HA 0.479 4.949 4.470 0.001 0.000 0.277 185 S C 0.949 175.748 174.600 0.331 0.000 1.315 185 S CA -0.710 57.610 58.200 0.200 0.000 1.050 185 S CB 0.706 64.031 63.200 0.207 0.000 0.918 185 S HN 0.672 8.982 8.310 0.000 0.000 0.497 186 L N 2.047 123.455 121.223 0.309 0.000 2.600 186 L HA 0.381 4.722 4.340 0.001 0.000 0.213 186 L C -0.526 176.562 176.870 0.363 0.000 1.045 186 L CA 0.010 55.038 54.840 0.312 0.000 0.863 186 L CB 0.362 42.550 42.059 0.214 0.000 1.189 186 L HN 0.512 8.742 8.230 0.000 0.000 0.484 187 V N 0.412 120.431 119.914 0.175 0.000 2.851 187 V HA 0.386 4.506 4.120 0.001 0.000 0.307 187 V C -0.684 175.368 176.094 -0.069 0.000 1.129 187 V CA -0.698 61.630 62.300 0.046 0.000 0.932 187 V CB 2.661 34.295 31.823 -0.314 0.000 1.024 187 V HN -0.215 7.975 8.190 0.000 0.000 0.426 188 V N 4.436 124.230 119.914 -0.200 0.000 2.435 188 V HA 0.594 4.715 4.120 0.001 0.000 0.290 188 V C -0.393 175.671 176.094 -0.049 0.000 1.030 188 V CA -0.555 61.606 62.300 -0.232 0.000 0.881 188 V CB 1.948 33.487 31.823 -0.474 0.000 0.983 188 V HN 0.626 8.816 8.190 0.000 0.000 0.445 189 V N 6.737 126.666 119.914 0.025 0.000 2.380 189 V HA 0.324 4.445 4.120 0.001 0.000 0.272 189 V C -2.556 173.570 176.094 0.053 0.000 1.011 189 V CA -1.715 60.646 62.300 0.102 0.000 0.826 189 V CB 1.573 33.565 31.823 0.280 0.000 1.040 189 V HN 0.722 8.912 8.190 0.000 0.000 0.441 190 P HA 0.289 4.709 4.420 0.000 0.000 0.271 190 P C -0.683 176.510 177.300 -0.178 0.000 1.216 190 P CA 0.129 63.102 63.100 -0.212 0.000 0.776 190 P CB 1.084 32.544 31.700 -0.401 0.000 0.881 191 V N 2.147 121.922 119.914 -0.231 0.000 2.841 191 V HA 0.882 5.002 4.120 0.001 0.000 0.310 191 V C 0.557 176.574 176.094 -0.127 0.000 1.090 191 V CA 0.107 62.361 62.300 -0.075 0.000 0.930 191 V CB 1.758 33.581 31.823 0.000 0.000 1.014 191 V HN 0.903 9.093 8.190 0.000 0.000 0.425 192 G N 2.576 111.391 108.800 0.026 0.000 2.593 192 G HA2 0.313 4.273 3.960 0.001 0.000 0.103 192 G HA3 0.313 4.273 3.960 0.001 0.000 0.103 192 G C -1.433 173.366 174.900 -0.168 0.000 1.103 192 G CA -0.502 44.599 45.100 0.002 0.000 1.109 192 G HN 0.626 8.916 8.290 0.000 0.000 0.516 193 H N 0.941 120.205 119.070 0.325 0.000 2.679 193 H HA 0.385 4.942 4.556 0.001 0.000 0.360 193 H C -0.442 174.944 175.328 0.096 0.000 1.105 193 H CA -0.399 55.743 56.048 0.156 0.000 1.196 193 H CB 1.594 31.386 29.762 0.049 0.000 1.636 193 H HN 0.808 9.088 8.280 0.000 0.000 0.531 194 H N 0.918 119.999 119.070 0.019 0.000 2.679 194 H HA 0.278 4.835 4.556 0.001 0.000 0.369 194 H C -0.181 175.137 175.328 -0.015 0.000 1.178 194 H CA -0.341 55.615 56.048 -0.153 0.000 1.419 194 H CB 0.942 30.598 29.762 -0.176 0.000 1.458 194 H HN 0.548 8.828 8.280 0.000 0.000 0.605 195 S N 0.719 116.410 115.700 -0.014 0.000 2.745 195 S HA 0.224 4.694 4.470 0.001 0.000 0.292 195 S C 1.513 176.144 174.600 0.051 0.000 1.133 195 S CA -0.281 57.909 58.200 -0.017 0.000 0.998 195 S CB 1.067 64.292 63.200 0.042 0.000 1.087 195 S HN 0.707 9.017 8.310 0.000 0.000 0.551 196 V N -1.634 118.301 119.914 0.034 0.000 2.867 196 V HA -0.020 4.100 4.120 0.001 0.000 0.260 196 V C 1.496 177.643 176.094 0.089 0.000 1.099 196 V CA 1.615 63.954 62.300 0.066 0.000 1.122 196 V CB -1.439 30.407 31.823 0.038 0.000 0.708 196 V HN 0.870 9.060 8.190 0.000 0.000 0.490 197 E N 0.765 121.019 120.200 0.090 0.000 2.489 197 E HA 0.009 4.359 4.350 0.001 0.000 0.193 197 E C 0.346 177.021 176.600 0.124 0.000 1.057 197 E CA 0.292 56.760 56.400 0.113 0.000 0.866 197 E CB -0.021 29.745 29.700 0.110 0.000 0.916 197 E HN 0.627 8.987 8.360 0.000 0.000 0.500 198 D N 0.858 121.303 120.400 0.075 0.000 2.416 198 D HA -0.051 4.590 4.640 0.001 0.000 0.240 198 D C 0.744 176.995 176.300 -0.081 0.000 1.250 198 D CA -0.397 53.572 54.000 -0.053 0.000 0.967 198 D CB -0.022 40.764 40.800 -0.023 0.000 1.059 198 D HN 0.071 8.441 8.370 0.000 0.000 0.512 199 F N 2.538 122.485 119.950 -0.004 0.000 2.365 199 F HA -0.010 4.518 4.527 0.001 0.000 0.300 199 F C 1.556 177.313 175.800 -0.070 0.000 1.090 199 F CA 0.259 58.243 58.000 -0.027 0.000 1.408 199 F CB -0.764 38.230 39.000 -0.010 0.000 1.060 199 F HN 0.195 8.495 8.300 0.000 0.000 0.534 200 N N 0.993 119.380 118.700 -0.522 0.000 2.494 200 N HA 0.034 4.774 4.740 0.001 0.000 0.182 200 N C 1.755 176.956 175.510 -0.514 0.000 1.076 200 N CA 0.835 53.666 53.050 -0.365 0.000 0.908 200 N CB -0.253 38.012 38.487 -0.370 0.000 0.967 200 N HN 0.396 8.776 8.380 0.000 0.000 0.449 201 A N -0.813 121.640 122.820 -0.612 0.000 2.067 201 A HA -0.049 4.272 4.320 0.001 0.000 0.219 201 A C 1.677 179.020 177.584 -0.401 0.000 1.158 201 A CA 1.714 53.270 52.037 -0.802 0.000 0.661 201 A CB -0.533 18.108 19.000 -0.598 0.000 0.801 201 A HN 0.427 8.577 8.150 0.000 0.000 0.452 202 T N -2.858 111.568 114.554 -0.213 0.000 3.228 202 T HA 0.598 4.949 4.350 0.001 0.000 0.278 202 T C -0.002 174.660 174.700 -0.063 0.000 1.014 202 T CA -0.345 61.692 62.100 -0.105 0.000 0.904 202 T CB -0.355 68.489 68.868 -0.040 0.000 1.110 202 T HN 0.131 8.371 8.240 0.000 0.000 0.541 203 L N 2.068 123.244 121.223 -0.080 0.000 2.317 203 L HA 0.557 4.898 4.340 0.001 0.000 0.281 203 L C -2.237 174.603 176.870 -0.049 0.000 1.024 203 L CA -2.529 52.293 54.840 -0.029 0.000 0.810 203 L CB 1.359 43.431 42.059 0.021 0.000 1.240 203 L HN 0.007 8.237 8.230 0.000 0.000 0.427 204 P HA 0.057 4.477 4.420 0.000 0.000 0.268 204 P C -0.710 176.580 177.300 -0.016 0.000 1.205 204 P CA -0.292 62.794 63.100 -0.023 0.000 0.771 204 P CB 0.499 32.192 31.700 -0.011 0.000 0.858 205 K N 1.502 121.893 120.400 -0.015 0.000 2.382 205 K HA 0.311 4.631 4.320 0.001 0.000 0.275 205 K C -0.143 176.459 176.600 0.004 0.000 1.009 205 K CA -0.011 56.275 56.287 -0.002 0.000 0.970 205 K CB 0.238 32.738 32.500 0.001 0.000 0.934 205 K HN 0.391 8.641 8.250 0.000 0.000 0.479 206 S N 3.226 118.933 115.700 0.011 0.000 2.557 206 S HA 0.564 5.034 4.470 0.001 0.000 0.291 206 S C -1.427 173.182 174.600 0.015 0.000 1.116 206 S CA -0.938 57.269 58.200 0.013 0.000 0.992 206 S CB 0.760 63.969 63.200 0.015 0.000 1.028 206 S HN 0.566 8.876 8.310 0.000 0.000 0.484 207 R N 2.893 123.401 120.500 0.013 0.000 2.698 207 R HA 0.437 4.777 4.340 0.001 0.000 0.275 207 R C -0.865 175.443 176.300 0.013 0.000 1.001 207 R CA -0.804 55.304 56.100 0.014 0.000 0.896 207 R CB 1.064 31.372 30.300 0.013 0.000 1.218 207 R HN 0.685 8.955 8.270 0.000 0.000 0.462 208 L N 3.662 124.893 121.223 0.014 0.000 2.506 208 L HA 0.101 4.441 4.340 0.001 0.000 0.281 208 L C -1.389 175.487 176.870 0.011 0.000 1.228 208 L CA -1.025 53.823 54.840 0.013 0.000 0.850 208 L CB -0.054 42.013 42.059 0.013 0.000 1.110 208 L HN 0.282 8.512 8.230 0.000 0.000 0.496 209 P HA 0.052 4.472 4.420 0.000 0.000 0.272 209 P C -0.309 176.997 177.300 0.010 0.000 1.223 209 P CA -0.372 62.733 63.100 0.009 0.000 0.784 209 P CB 0.683 32.388 31.700 0.008 0.000 0.923 210 Q N 0.905 120.711 119.800 0.009 0.000 2.291 210 Q HA -0.162 4.178 4.340 0.001 0.000 0.206 210 Q C 1.713 177.719 176.000 0.010 0.000 0.976 210 Q CA 1.357 57.166 55.803 0.010 0.000 0.875 210 Q CB -0.436 28.308 28.738 0.010 0.000 0.927 210 Q HN 0.570 8.840 8.270 0.000 0.000 0.450 211 N N 0.195 118.900 118.700 0.009 0.000 2.205 211 N HA -0.156 4.584 4.740 0.001 0.000 0.186 211 N C 1.556 177.072 175.510 0.009 0.000 1.015 211 N CA 0.878 53.933 53.050 0.009 0.000 0.862 211 N CB 0.034 38.526 38.487 0.008 0.000 0.986 211 N HN 0.245 8.625 8.380 0.000 0.000 0.429 212 I N -0.287 120.288 120.570 0.010 0.000 2.494 212 I HA -0.111 4.060 4.170 0.001 0.000 0.250 212 I C 2.070 178.194 176.117 0.012 0.000 1.112 212 I CA 0.975 62.281 61.300 0.010 0.000 1.438 212 I CB -0.123 37.884 38.000 0.010 0.000 1.111 212 I HN 0.230 8.440 8.210 0.000 0.000 0.431 213 T N -1.544 113.017 114.554 0.012 0.000 3.060 213 T HA 0.256 4.606 4.350 0.001 0.000 0.249 213 T C 0.311 175.020 174.700 0.015 0.000 1.079 213 T CA 0.044 62.152 62.100 0.014 0.000 1.013 213 T CB 0.083 68.960 68.868 0.015 0.000 0.975 213 T HN 0.038 8.278 8.240 0.000 0.000 0.518 214 L N 1.196 122.427 121.223 0.014 0.000 2.408 214 L HA 0.629 4.970 4.340 0.001 0.000 0.268 214 L C -1.184 175.694 176.870 0.013 0.000 0.986 214 L CA -0.322 54.526 54.840 0.014 0.000 0.820 214 L CB 2.509 44.577 42.059 0.013 0.000 1.303 214 L HN 0.008 8.238 8.230 0.000 0.000 0.411 215 T N 2.654 117.216 114.554 0.014 0.000 2.861 215 T HA 0.484 4.835 4.350 0.001 0.000 0.287 215 T C -1.143 173.566 174.700 0.014 0.000 1.003 215 T CA -0.589 61.519 62.100 0.013 0.000 0.977 215 T CB 1.674 70.550 68.868 0.014 0.000 0.996 215 T HN 0.488 8.728 8.240 0.000 0.000 0.448 216 E N 1.536 121.743 120.200 0.013 0.000 2.210 216 E HA 0.669 5.019 4.350 0.001 0.000 0.266 216 E C -0.529 176.079 176.600 0.012 0.000 0.883 216 E CA -0.854 55.553 56.400 0.012 0.000 0.761 216 E CB 1.995 31.702 29.700 0.011 0.000 1.156 216 E HN 0.482 8.842 8.360 0.000 0.000 0.412 217 V N 0.000 119.922 119.914 0.013 0.000 2.409 217 V HA 0.000 4.120 4.120 0.001 0.000 0.244 217 V CA 0.000 62.307 62.300 0.012 0.000 1.235 217 V CB 0.000 31.831 31.823 0.013 0.000 1.184 217 V HN 0.000 8.190 8.190 0.000 0.000 0.556