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 3ntc_1_L DATA FIRST_RESID 1 DATA SEQUENCE DIQMTQRPDS LSASVGDRVT MScKSSGDQK NYLTWYQQKP GQPPKLLIYW DATA SEQUENCE ASTGESGVPD RFSGSGSGTD FTFTISSLQP EDIATYYcQN DYSYPWTFGQ DATA SEQUENCE GTKVEIKRTV AAPSVFIFPP SDQQLKSGTA SVVcLNNNFY PKEAKVQWKV DATA SEQUENCE DNALQSGNSQ ESVTQQDSKD STYSLSSTLT LSKADYEKHK VYAcEVTHQG DATA SEQUENCE LSSPVTKSFN RGC 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 D HA 0.000 4.684 4.640 0.073 0.000 0.175 1 D C 0.000 176.345 176.300 0.075 0.000 2.045 1 D CA 0.000 54.041 54.000 0.069 0.000 0.868 1 D CB 0.000 40.841 40.800 0.069 0.000 0.688 2 I N 0.627 121.250 120.570 0.089 0.000 2.325 2 I HA 0.097 4.315 4.170 0.079 0.000 0.291 2 I C -0.448 175.713 176.117 0.074 0.000 1.019 2 I CA -0.363 60.987 61.300 0.085 0.000 1.302 2 I CB 0.808 38.869 38.000 0.101 0.000 1.401 2 I HN 0.253 8.522 8.210 0.099 0.000 0.485 3 Q N 8.327 128.167 119.800 0.066 0.000 2.256 3 Q HA 0.233 4.616 4.340 0.072 0.000 0.254 3 Q C -1.324 174.713 176.000 0.062 0.000 0.916 3 Q CA -0.281 55.561 55.803 0.066 0.000 0.932 3 Q CB 1.440 30.215 28.738 0.061 0.000 1.207 3 Q HN 0.134 8.442 8.270 0.064 0.000 0.426 4 M N 3.494 123.133 119.600 0.064 0.000 2.294 4 M HA 0.532 5.206 4.480 0.050 -0.164 0.335 4 M C 0.303 176.648 176.300 0.074 0.000 1.079 4 M CA -1.615 53.718 55.300 0.054 0.000 0.982 4 M CB 2.027 34.641 32.600 0.023 0.000 1.651 4 M HN 0.413 8.747 8.290 0.074 0.000 0.437 5 T N 6.655 121.255 114.554 0.077 0.000 2.840 5 T HA 0.363 4.766 4.350 0.088 0.000 0.287 5 T C -1.784 172.976 174.700 0.100 0.000 0.991 5 T CA -0.318 61.833 62.100 0.085 0.000 0.964 5 T CB 1.437 70.351 68.868 0.076 0.000 0.954 5 T HN 0.641 8.927 8.240 0.076 0.000 0.438 6 Q N 5.773 125.638 119.800 0.108 0.000 2.274 6 Q HA 0.756 5.384 4.340 0.155 -0.195 0.260 6 Q C -0.781 175.287 176.000 0.114 0.000 0.974 6 Q CA -1.034 54.848 55.803 0.132 0.000 0.876 6 Q CB 2.930 31.755 28.738 0.145 0.000 1.297 6 Q HN 0.342 8.675 8.270 0.104 0.000 0.446 7 R N 0.683 121.257 120.500 0.123 0.000 2.651 7 R HA 0.577 4.966 4.340 0.082 0.000 0.278 7 R C -2.802 173.554 176.300 0.093 0.000 1.010 7 R CA -3.778 52.378 56.100 0.093 0.000 0.896 7 R CB 1.972 32.319 30.300 0.079 0.000 1.211 7 R HN 0.077 8.437 8.270 0.150 0.000 0.456 8 P HA 0.307 4.761 4.420 0.057 0.000 0.278 8 P C -0.314 177.022 177.300 0.060 0.000 1.266 8 P CA -0.875 62.261 63.100 0.059 0.000 0.807 8 P CB 1.722 33.450 31.700 0.047 0.000 1.094 9 D N -1.705 118.727 120.400 0.052 0.000 2.178 9 D HA -0.115 4.553 4.640 0.047 0.000 0.202 9 D C 0.982 177.306 176.300 0.041 0.000 0.974 9 D CA 3.027 57.054 54.000 0.046 0.000 0.841 9 D CB 0.449 41.275 40.800 0.044 0.000 0.953 9 D HN 0.321 8.720 8.370 0.049 0.000 0.478 10 S N -5.033 110.694 115.700 0.045 0.000 2.565 10 S HA 0.583 5.250 4.470 0.053 -0.165 0.269 10 S C -1.657 172.974 174.600 0.051 0.000 1.153 10 S CA -1.269 56.961 58.200 0.050 0.000 0.835 10 S CB 2.853 66.083 63.200 0.051 0.000 1.122 10 S HN -0.834 7.495 8.310 0.045 0.009 0.462 11 L N -5.066 116.192 121.223 0.057 0.000 2.469 11 L HA 0.635 5.005 4.340 0.050 0.000 0.256 11 L C -2.250 174.659 176.870 0.065 0.000 1.006 11 L CA -0.705 54.166 54.840 0.053 0.000 0.832 11 L CB 2.702 44.784 42.059 0.039 0.000 1.421 11 L HN 0.481 8.750 8.230 0.064 0.000 0.410 12 S N 0.415 116.153 115.700 0.064 0.000 2.500 12 S HA 0.859 5.602 4.470 0.088 -0.220 0.301 12 S C -0.993 173.642 174.600 0.058 0.000 1.092 12 S CA -1.882 56.365 58.200 0.078 0.000 1.030 12 S CB 1.270 64.528 63.200 0.098 0.000 1.031 12 S HN 0.054 8.398 8.310 0.056 0.000 0.483 13 A N 5.415 128.267 122.820 0.054 0.000 2.593 13 A HA 0.421 4.759 4.320 0.030 0.000 0.290 13 A C -2.046 175.552 177.584 0.023 0.000 1.126 13 A CA -0.866 51.191 52.037 0.032 0.000 0.695 13 A CB 3.201 22.213 19.000 0.021 0.000 1.290 13 A HN 0.273 8.459 8.150 0.061 0.000 0.414 14 S N -0.596 115.109 115.700 0.008 0.000 2.616 14 S HA 0.459 5.078 4.470 -0.016 -0.158 0.277 14 S C 0.320 174.914 174.600 -0.009 0.000 1.234 14 S CA -1.275 56.921 58.200 -0.008 0.000 1.028 14 S CB 1.570 64.763 63.200 -0.011 0.000 0.988 14 S HN -0.128 8.473 8.310 0.007 -0.287 0.522 15 V N 2.583 122.485 119.914 -0.019 0.000 2.644 15 V HA -0.630 3.640 4.120 -0.006 -0.154 0.305 15 V C 1.454 177.539 176.094 -0.015 0.000 1.053 15 V CA 3.125 65.415 62.300 -0.015 0.000 1.186 15 V CB -0.518 31.290 31.823 -0.025 0.000 0.895 15 V HN 0.619 8.790 8.190 -0.031 0.000 0.490 16 G N 6.972 115.764 108.800 -0.013 0.000 2.213 16 G HA2 -0.361 3.587 3.960 -0.020 0.000 0.236 16 G HA3 -0.361 3.588 3.960 -0.018 0.000 0.236 16 G C -0.161 174.728 174.900 -0.018 0.000 0.991 16 G CA -0.375 44.714 45.100 -0.017 0.000 0.629 16 G HN 0.786 8.961 8.290 -0.008 0.110 0.517 17 D N 2.228 122.620 120.400 -0.014 0.000 2.341 17 D HA 0.157 4.786 4.640 -0.018 0.000 0.245 17 D C -0.623 175.663 176.300 -0.024 0.000 1.106 17 D CA 0.186 54.176 54.000 -0.016 0.000 0.905 17 D CB 0.989 41.783 40.800 -0.009 0.000 1.202 17 D HN -0.245 8.057 8.370 -0.010 0.062 0.426 18 R N 2.361 122.841 120.500 -0.033 0.000 2.389 18 R HA 0.231 4.821 4.340 -0.057 -0.284 0.295 18 R C -0.518 175.750 176.300 -0.054 0.000 1.075 18 R CA 0.438 56.507 56.100 -0.050 0.000 1.005 18 R CB 0.728 30.995 30.300 -0.055 0.000 0.987 18 R HN 0.234 8.485 8.270 -0.031 0.000 0.452 19 V N 8.479 128.347 119.914 -0.077 0.000 2.540 19 V HA 0.343 4.428 4.120 -0.058 0.000 0.302 19 V C -1.815 174.203 176.094 -0.127 0.000 1.035 19 V CA -1.025 61.226 62.300 -0.081 0.000 0.873 19 V CB 3.104 34.883 31.823 -0.073 0.000 0.992 19 V HN 0.582 8.717 8.190 -0.093 0.000 0.428 20 T N 1.154 115.650 114.554 -0.096 0.000 2.907 20 T HA 0.892 5.320 4.350 -0.168 -0.179 0.292 20 T C -0.527 174.140 174.700 -0.055 0.000 1.043 20 T CA -2.096 59.940 62.100 -0.108 0.000 1.003 20 T CB 3.245 72.064 68.868 -0.083 0.000 1.084 20 T HN -0.086 8.114 8.240 -0.067 0.000 0.483 21 M N -1.509 118.069 119.600 -0.036 0.000 2.569 21 M HA 0.435 4.946 4.480 0.051 0.000 0.279 21 M C -2.234 174.151 176.300 0.141 0.000 1.253 21 M CA -0.938 54.390 55.300 0.047 0.000 0.867 21 M CB 3.589 36.218 32.600 0.048 0.000 1.727 21 M HN 0.115 8.365 8.290 -0.066 0.000 0.467 22 S N -0.065 115.758 115.700 0.205 0.000 2.537 22 S HA 0.700 5.497 4.470 0.281 -0.159 0.301 22 S C -1.520 173.287 174.600 0.345 0.000 1.092 22 S CA -2.043 56.310 58.200 0.256 0.000 1.048 22 S CB 2.305 65.597 63.200 0.153 0.000 1.053 22 S HN 0.227 8.644 8.310 0.178 0.000 0.501 23 c N 5.717 124.546 118.600 0.382 0.000 2.481 23 c HA 0.651 5.515 4.570 0.200 -0.174 0.324 23 c C -2.264 171.985 174.090 0.265 0.000 1.170 23 c CA -1.659 54.830 56.329 0.267 0.000 1.361 23 c CB 2.335 44.907 42.510 0.104 0.000 1.977 23 c HN 0.631 9.108 8.230 0.412 0.000 0.459 24 K N 8.212 128.718 120.400 0.177 0.000 2.324 24 K HA 1.024 5.685 4.320 0.196 -0.223 0.253 24 K C -0.827 175.853 176.600 0.133 0.000 0.932 24 K CA -1.925 54.457 56.287 0.158 0.000 0.799 24 K CB 3.911 36.470 32.500 0.098 0.000 1.154 24 K HN 0.561 8.895 8.250 0.140 0.000 0.425 25 S N 3.394 119.186 115.700 0.153 0.000 2.608 25 S HA 0.663 5.350 4.470 0.083 -0.167 0.291 25 S C 1.185 175.830 174.600 0.075 0.000 1.146 25 S CA -1.680 56.584 58.200 0.107 0.000 1.043 25 S CB 2.312 65.587 63.200 0.126 0.000 1.037 25 S HN 0.250 8.673 8.310 0.187 0.000 0.520 26 S N 1.889 117.626 115.700 0.061 0.000 2.607 26 S HA -0.119 4.379 4.470 0.046 0.000 0.224 26 S C 1.561 176.186 174.600 0.042 0.000 0.969 26 S CA 0.888 59.118 58.200 0.050 0.000 0.927 26 S CB -0.002 63.229 63.200 0.050 0.000 0.772 26 S HN 0.533 8.880 8.310 0.062 0.000 0.533 27 G N 3.185 112.022 108.800 0.061 0.000 2.640 27 G HA2 -0.397 3.578 3.960 0.025 0.000 0.226 27 G HA3 -0.397 3.581 3.960 0.030 0.000 0.226 27 G C 0.334 175.248 174.900 0.024 0.000 1.222 27 G CA 1.063 46.184 45.100 0.035 0.000 0.729 27 G HN 0.356 8.693 8.290 0.079 0.000 0.516 28 D N 0.279 120.701 120.400 0.037 0.000 2.500 28 D HA 0.043 4.670 4.640 -0.020 0.000 0.217 28 D C -0.838 175.442 176.300 -0.034 0.000 1.159 28 D CA -1.291 52.703 54.000 -0.010 0.000 0.828 28 D CB -0.377 40.403 40.800 -0.032 0.000 1.039 28 D HN 0.214 8.628 8.370 0.072 0.000 0.512 29 Q N -4.220 115.586 119.800 0.010 0.000 2.452 29 Q HA -0.496 3.933 4.340 0.023 -0.074 0.248 29 Q C -0.897 175.082 176.000 -0.035 0.000 0.874 29 Q CA 1.475 57.278 55.803 -0.001 0.000 1.208 29 Q CB -2.198 26.531 28.738 -0.016 0.000 1.569 29 Q HN -0.301 7.994 8.270 0.043 0.000 0.579 30 K N -0.935 119.421 120.400 -0.072 0.000 2.143 30 K HA 0.021 4.227 4.320 -0.191 0.000 0.272 30 K C -1.423 175.137 176.600 -0.067 0.000 1.001 30 K CA -0.792 55.363 56.287 -0.220 0.000 0.915 30 K CB 1.262 33.340 32.500 -0.703 0.000 1.047 30 K HN -0.462 8.012 8.250 -0.027 -0.240 0.458 31 N N 2.434 121.115 118.700 -0.031 0.000 2.420 31 N HA 0.057 5.075 4.740 0.153 -0.186 0.249 31 N C -0.318 175.189 175.510 -0.005 0.000 1.033 31 N CA -0.086 53.022 53.050 0.095 0.000 0.944 31 N CB 0.782 39.436 38.487 0.279 0.000 1.113 31 N HN 0.515 8.880 8.380 -0.025 0.000 0.502 32 Y N 4.306 124.652 120.300 0.076 0.000 2.667 32 Y HA -0.059 4.608 4.550 0.194 0.000 0.340 32 Y C -1.994 173.849 175.900 -0.095 0.000 1.303 32 Y CA 0.232 58.392 58.100 0.099 0.000 1.769 32 Y CB -1.790 36.785 38.460 0.190 0.000 1.804 32 Y HN 0.205 8.722 8.280 0.395 0.000 0.451 33 L N 2.972 124.095 121.223 -0.167 0.000 2.365 33 L HA 0.892 5.163 4.340 -0.409 -0.177 0.273 33 L C -1.801 174.861 176.870 -0.346 0.000 1.000 33 L CA -1.384 53.196 54.840 -0.433 0.000 0.819 33 L CB 4.374 45.859 42.059 -0.957 0.000 1.284 33 L HN -0.320 7.777 8.230 -0.140 0.049 0.418 34 T N 7.920 122.217 114.554 -0.429 0.000 2.856 34 T HA 0.569 4.931 4.350 -0.246 -0.160 0.283 34 T C -1.488 172.912 174.700 -0.500 0.000 1.008 34 T CA -0.355 61.516 62.100 -0.381 0.000 0.997 34 T CB 2.229 70.856 68.868 -0.402 0.000 0.992 34 T HN 0.110 8.060 8.240 -0.483 0.000 0.454 35 W N 4.109 125.226 121.300 -0.305 0.000 2.529 35 W HA 0.461 5.219 4.660 -0.151 -0.189 0.321 35 W C -1.067 175.225 176.519 -0.377 0.000 1.047 35 W CA -1.579 55.613 57.345 -0.255 0.000 1.216 35 W CB 2.556 31.875 29.460 -0.234 0.000 1.357 35 W HN 0.735 8.893 8.180 -0.037 0.000 0.489 36 Y N 0.440 120.865 120.300 0.208 0.000 2.509 36 Y HA 0.696 5.486 4.550 0.106 -0.177 0.341 36 Y C -1.190 174.733 175.900 0.039 0.000 1.038 36 Y CA -1.820 56.359 58.100 0.132 0.000 1.089 36 Y CB 4.312 42.867 38.460 0.157 0.000 1.241 36 Y HN 0.775 9.281 8.280 0.378 0.000 0.468 37 Q N 0.889 120.747 119.800 0.097 0.000 2.316 37 Q HA 0.466 4.582 4.340 -0.572 -0.119 0.264 37 Q C -2.009 173.931 176.000 -0.100 0.000 0.987 37 Q CA -1.470 54.179 55.803 -0.258 0.000 0.852 37 Q CB 3.654 32.226 28.738 -0.277 0.000 1.287 37 Q HN 0.526 8.896 8.270 0.167 0.000 0.448 38 Q N 7.456 127.166 119.800 -0.149 0.000 2.304 38 Q HA 0.447 4.773 4.340 -0.024 0.000 0.270 38 Q C -2.056 173.901 176.000 -0.072 0.000 1.035 38 Q CA -1.116 54.667 55.803 -0.033 0.000 0.781 38 Q CB 4.024 32.823 28.738 0.101 0.000 1.261 38 Q HN 0.567 8.670 8.270 -0.279 0.000 0.444 39 K N 5.620 125.993 120.400 -0.045 0.000 2.123 39 K HA 0.521 4.817 4.320 -0.040 0.000 0.248 39 K C -2.415 174.179 176.600 -0.009 0.000 0.969 39 K CA -3.040 53.228 56.287 -0.031 0.000 0.882 39 K CB -0.086 32.401 32.500 -0.022 0.000 1.080 39 K HN 0.432 8.662 8.250 -0.033 0.000 0.441 40 P HA -0.193 4.233 4.420 0.011 0.000 0.261 40 P C 0.542 177.842 177.300 0.001 0.000 1.183 40 P CA 1.621 64.725 63.100 0.007 0.000 0.761 40 P CB -0.108 31.602 31.700 0.017 0.000 0.785 41 G N 2.426 111.224 108.800 -0.003 0.000 2.179 41 G HA2 -0.351 3.602 3.960 -0.011 0.000 0.260 41 G HA3 -0.351 3.606 3.960 -0.006 0.000 0.260 41 G C -0.583 174.308 174.900 -0.015 0.000 0.977 41 G CA -0.209 44.885 45.100 -0.009 0.000 0.641 41 G HN 0.236 8.524 8.290 -0.003 0.000 0.533 42 Q N 0.732 120.522 119.800 -0.016 0.000 2.297 42 Q HA 0.405 4.734 4.340 -0.018 0.000 0.268 42 Q C -2.700 173.280 176.000 -0.033 0.000 1.045 42 Q CA -2.247 53.544 55.803 -0.019 0.000 0.861 42 Q CB 1.532 30.264 28.738 -0.010 0.000 1.344 42 Q HN -0.389 7.808 8.270 -0.014 0.065 0.452 43 P HA 0.219 4.587 4.420 -0.087 0.000 0.274 43 P C -2.061 175.208 177.300 -0.052 0.000 1.246 43 P CA -1.842 61.222 63.100 -0.061 0.000 0.795 43 P CB -0.869 30.801 31.700 -0.051 0.000 1.006 44 P HA -0.115 4.428 4.420 -0.005 -0.126 0.267 44 P C -1.192 176.146 177.300 0.065 0.000 1.200 44 P CA 0.023 63.086 63.100 -0.062 0.000 0.772 44 P CB 0.533 32.037 31.700 -0.328 0.000 0.855 45 K N 3.604 124.113 120.400 0.181 0.000 2.323 45 K HA 0.250 4.679 4.320 0.182 0.000 0.259 45 K C -1.247 175.546 176.600 0.322 0.000 0.947 45 K CA -1.627 54.785 56.287 0.208 0.000 0.819 45 K CB 2.578 35.154 32.500 0.128 0.000 1.109 45 K HN 0.411 8.768 8.250 0.178 0.000 0.429 46 L N 7.389 128.782 121.223 0.283 0.000 2.462 46 L HA -0.130 4.101 4.340 -0.182 0.000 0.272 46 L C -0.890 176.018 176.870 0.063 0.000 1.166 46 L CA 1.472 56.344 54.840 0.054 0.000 0.880 46 L CB 0.223 42.293 42.059 0.019 0.000 1.142 46 L HN 0.623 9.007 8.230 0.256 0.000 0.473 47 L N 6.039 127.281 121.223 0.031 0.000 2.515 47 L HA 0.156 4.614 4.340 0.197 0.000 0.202 47 L C -0.813 176.146 176.870 0.149 0.000 1.056 47 L CA 1.093 56.026 54.840 0.156 0.000 0.847 47 L CB 1.519 43.697 42.059 0.199 0.000 1.131 47 L HN 0.538 8.725 8.230 -0.071 0.000 0.484 48 I N -5.567 115.074 120.570 0.117 0.000 2.619 48 I HA 0.679 5.034 4.170 -0.004 -0.187 0.292 48 I C -1.607 174.533 176.117 0.037 0.000 1.100 48 I CA -2.605 58.751 61.300 0.092 0.000 1.043 48 I CB 2.991 41.149 38.000 0.264 0.000 1.239 48 I HN -0.720 7.535 8.210 0.075 0.000 0.420 49 Y N -1.196 118.997 120.300 -0.179 0.000 2.634 49 Y HA 0.517 5.046 4.550 -0.242 -0.124 0.340 49 Y C -1.130 174.660 175.900 -0.182 0.000 1.058 49 Y CA -2.708 55.210 58.100 -0.303 0.000 1.081 49 Y CB 3.052 41.179 38.460 -0.555 0.000 1.295 49 Y HN 0.501 8.439 8.280 -0.570 0.000 0.487 50 W N -2.251 119.011 121.300 -0.065 0.000 5.271 50 W HA -0.504 4.135 4.660 -0.320 -0.171 0.364 50 W C 0.652 177.081 176.519 -0.149 0.000 1.342 50 W CA 0.344 57.559 57.345 -0.217 0.000 0.899 50 W CB -3.396 25.926 29.460 -0.231 0.000 2.450 50 W HN 0.811 9.101 8.180 0.185 0.000 1.508 51 A N -3.894 118.968 122.820 0.071 0.000 3.275 51 A HA -0.542 3.892 4.320 0.097 -0.056 0.241 51 A C -0.962 176.739 177.584 0.195 0.000 0.607 51 A CA 2.763 54.879 52.037 0.131 0.000 1.181 51 A CB -1.570 17.559 19.000 0.214 0.000 1.304 51 A HN 0.311 8.444 8.150 0.025 0.032 0.682 52 S N -5.473 110.283 115.700 0.092 0.000 2.817 52 S HA 0.150 4.774 4.470 0.071 -0.111 0.262 52 S C -0.102 174.463 174.600 -0.059 0.000 1.051 52 S CA -0.002 58.227 58.200 0.047 0.000 1.185 52 S CB 2.299 65.537 63.200 0.063 0.000 1.152 52 S HN -0.326 7.929 8.310 0.066 0.095 0.653 53 T N 7.035 121.467 114.554 -0.204 0.000 2.729 53 T HA 0.043 4.251 4.350 -0.237 0.000 0.296 53 T C -0.657 173.750 174.700 -0.488 0.000 0.928 53 T CA 0.789 62.645 62.100 -0.407 0.000 1.045 53 T CB 0.744 69.178 68.868 -0.723 0.000 0.902 53 T HN -0.304 7.801 8.240 -0.224 0.000 0.500 54 G N 4.671 113.331 108.800 -0.233 0.000 2.406 54 G HA2 -0.072 3.995 3.960 -0.056 0.000 0.251 54 G HA3 -0.072 3.863 3.960 -0.042 0.000 0.251 54 G C -1.340 173.514 174.900 -0.076 0.000 1.271 54 G CA -0.611 44.427 45.100 -0.103 0.000 0.859 54 G HN 0.344 8.533 8.290 -0.167 0.000 0.540 55 E N 4.048 124.280 120.200 0.054 0.000 2.392 55 E HA -0.025 4.479 4.350 0.257 0.000 0.264 55 E C 0.179 176.830 176.600 0.086 0.000 1.024 55 E CA -0.506 55.985 56.400 0.151 0.000 0.903 55 E CB 1.538 31.328 29.700 0.150 0.000 0.963 55 E HN -0.051 8.354 8.360 0.074 0.000 0.432 56 S N 5.129 120.873 115.700 0.074 0.000 2.546 56 S HA -0.220 4.272 4.470 0.036 0.000 0.290 56 S C 0.988 175.613 174.600 0.043 0.000 1.290 56 S CA 1.063 59.290 58.200 0.046 0.000 1.069 56 S CB -0.219 63.004 63.200 0.037 0.000 0.846 56 S HN 0.262 8.623 8.310 0.086 0.000 0.495 57 G N 4.559 113.377 108.800 0.029 0.000 2.217 57 G HA2 -0.348 3.619 3.960 0.012 0.000 0.246 57 G HA3 -0.348 3.630 3.960 0.030 0.000 0.246 57 G C -0.912 174.005 174.900 0.028 0.000 0.990 57 G CA -0.231 44.883 45.100 0.024 0.000 0.627 57 G HN 0.290 8.592 8.290 0.021 0.000 0.522 58 V N 3.666 123.611 119.914 0.051 0.000 2.637 58 V HA -0.003 4.176 4.120 0.098 0.000 0.296 58 V C -1.725 174.355 176.094 -0.022 0.000 1.046 58 V CA -1.054 61.293 62.300 0.079 0.000 1.066 58 V CB 0.446 32.373 31.823 0.173 0.000 0.968 58 V HN -0.615 7.544 8.190 0.058 0.066 0.483 59 P HA 0.046 4.338 4.420 -0.212 0.000 0.266 59 P C -0.248 176.903 177.300 -0.249 0.000 1.195 59 P CA -0.249 62.669 63.100 -0.305 0.000 0.768 59 P CB 0.688 31.992 31.700 -0.660 0.000 0.838 60 D N 2.604 122.897 120.400 -0.179 0.000 2.263 60 D HA -0.206 4.381 4.640 -0.090 0.000 0.208 60 D C 0.884 177.099 176.300 -0.142 0.000 0.971 60 D CA 2.368 56.293 54.000 -0.124 0.000 0.867 60 D CB -0.224 40.519 40.800 -0.096 0.000 0.929 60 D HN 0.301 8.572 8.370 -0.165 0.000 0.492 61 R N -4.906 115.459 120.500 -0.225 0.000 2.280 61 R HA -0.138 4.123 4.340 -0.131 0.000 0.207 61 R C -0.700 175.559 176.300 -0.068 0.000 1.043 61 R CA 1.126 57.118 56.100 -0.180 0.000 1.006 61 R CB -0.088 30.086 30.300 -0.210 0.000 0.885 61 R HN -0.216 7.838 8.270 -0.299 0.036 0.467 62 F N 0.666 120.514 119.950 -0.169 0.000 2.408 62 F HA 0.748 5.138 4.527 -0.514 -0.171 0.344 62 F C -0.668 174.934 175.800 -0.330 0.000 1.112 62 F CA -2.873 54.944 58.000 -0.304 0.000 1.096 62 F CB 1.077 40.053 39.000 -0.039 0.000 1.129 62 F HN -0.744 7.427 8.300 -0.137 0.046 0.486 63 S N 0.048 115.518 115.700 -0.383 0.000 2.537 63 S HA 0.230 4.621 4.470 -0.132 0.000 0.270 63 S C -1.788 172.584 174.600 -0.380 0.000 1.142 63 S CA -1.600 56.439 58.200 -0.268 0.000 0.870 63 S CB 3.037 66.127 63.200 -0.183 0.000 1.112 63 S HN 0.149 8.020 8.310 -0.732 0.000 0.466 64 G N -0.612 108.110 108.800 -0.129 0.000 2.420 64 G HA2 0.727 4.784 3.960 -0.119 0.000 0.331 64 G HA3 0.727 4.923 3.960 0.139 -0.153 0.331 64 G C -1.540 173.406 174.900 0.077 0.000 1.168 64 G CA -1.634 43.463 45.100 -0.006 0.000 0.936 64 G HN 0.128 8.386 8.290 -0.053 0.000 0.479 65 S N 0.149 115.949 115.700 0.166 0.000 2.656 65 S HA 0.377 4.931 4.470 0.140 0.000 0.273 65 S C -1.266 173.485 174.600 0.251 0.000 1.168 65 S CA -0.813 57.477 58.200 0.151 0.000 0.817 65 S CB 2.205 65.431 63.200 0.043 0.000 1.146 65 S HN 0.627 9.075 8.310 0.229 0.000 0.475 66 G N -0.553 108.320 108.800 0.121 0.000 2.525 66 G HA2 -0.153 3.741 3.960 -0.110 0.000 0.685 66 G HA3 -0.153 3.871 3.960 -0.099 -0.123 0.685 66 G C -2.163 172.660 174.900 -0.129 0.000 1.290 66 G CA -0.361 44.706 45.100 -0.054 0.000 0.915 66 G HN 0.001 8.337 8.290 0.077 0.000 0.548 67 S N -0.613 114.767 115.700 -0.534 0.000 2.595 67 S HA 0.082 4.634 4.470 -0.057 -0.117 0.270 67 S C -0.856 173.449 174.600 -0.492 0.000 1.145 67 S CA -0.520 57.484 58.200 -0.328 0.000 0.825 67 S CB 2.395 65.535 63.200 -0.099 0.000 1.107 67 S HN -0.143 7.743 8.310 -0.707 0.000 0.461 68 G N 2.212 110.920 108.800 -0.153 0.000 2.889 68 G HA2 -0.479 3.458 3.960 -0.039 0.000 0.308 68 G HA3 -0.479 3.398 3.960 -0.139 0.000 0.308 68 G C -0.409 174.448 174.900 -0.072 0.000 1.248 68 G CA 1.902 46.939 45.100 -0.105 0.000 0.982 68 G HN 0.482 9.068 8.290 0.012 -0.288 0.571 69 T N 1.086 115.536 114.554 -0.173 0.000 3.040 69 T HA 0.544 4.977 4.350 0.138 0.000 0.266 69 T C -0.829 173.796 174.700 -0.126 0.000 1.005 69 T CA -1.593 60.488 62.100 -0.032 0.000 0.906 69 T CB 1.494 70.355 68.868 -0.012 0.000 1.082 69 T HN -0.257 7.853 8.240 -0.216 0.000 0.531 70 D N 2.975 123.071 120.400 -0.506 0.000 2.593 70 D HA 0.560 5.134 4.640 -0.108 0.000 0.251 70 D C -2.392 173.521 176.300 -0.644 0.000 1.140 70 D CA 0.041 53.828 54.000 -0.355 0.000 0.855 70 D CB 3.085 43.767 40.800 -0.197 0.000 1.267 70 D HN -0.647 7.304 8.370 -0.698 0.000 0.532 71 F N 1.632 121.657 119.950 0.124 0.000 2.603 71 F HA 0.570 5.333 4.527 0.177 -0.130 0.317 71 F C -0.966 175.014 175.800 0.300 0.000 1.066 71 F CA -1.412 56.716 58.000 0.214 0.000 0.941 71 F CB 4.985 44.134 39.000 0.248 0.000 1.291 71 F HN 0.656 9.095 8.300 0.231 0.000 0.472 72 T N -2.205 112.641 114.554 0.486 0.000 2.916 72 T HA 0.812 5.544 4.350 0.342 -0.177 0.305 72 T C -1.856 172.889 174.700 0.074 0.000 1.119 72 T CA -1.973 60.295 62.100 0.281 0.000 1.008 72 T CB 3.417 72.341 68.868 0.094 0.000 1.129 72 T HN 0.534 9.064 8.240 0.483 0.000 0.480 73 F N 3.861 123.524 119.950 -0.479 0.000 2.507 73 F HA 0.727 4.931 4.527 -0.806 -0.161 0.325 73 F C -2.349 173.123 175.800 -0.546 0.000 1.116 73 F CA -1.892 55.560 58.000 -0.913 0.000 0.930 73 F CB 3.843 41.672 39.000 -1.951 0.000 1.146 73 F HN 0.191 8.401 8.300 -0.151 0.000 0.447 74 T N 8.978 122.870 114.554 -1.102 0.000 2.861 74 T HA 0.634 4.871 4.350 -0.495 -0.184 0.287 74 T C -1.574 172.674 174.700 -0.753 0.000 1.003 74 T CA -0.852 60.842 62.100 -0.678 0.000 0.977 74 T CB 2.832 71.468 68.868 -0.388 0.000 0.996 74 T HN 0.447 7.852 8.240 -1.391 0.000 0.448 75 I N 6.478 126.797 120.570 -0.418 0.000 2.354 75 I HA 0.544 4.894 4.170 -0.073 -0.224 0.286 75 I C 0.536 176.590 176.117 -0.106 0.000 1.007 75 I CA -1.626 59.582 61.300 -0.153 0.000 1.167 75 I CB 1.118 39.114 38.000 -0.006 0.000 1.320 75 I HN 0.599 8.604 8.210 -0.341 0.000 0.458 76 S N 8.490 124.135 115.700 -0.092 0.000 2.402 76 S HA -0.218 4.194 4.470 -0.096 0.000 0.229 76 S C -0.025 174.539 174.600 -0.059 0.000 1.021 76 S CA 2.659 60.807 58.200 -0.086 0.000 0.974 76 S CB 0.284 63.432 63.200 -0.087 0.000 0.800 76 S HN 0.229 8.489 8.310 -0.084 0.000 0.484 77 S N 0.224 115.898 115.700 -0.044 0.000 2.673 77 S HA 0.076 4.629 4.470 -0.030 -0.101 0.256 77 S C -1.425 173.169 174.600 -0.010 0.000 1.141 77 S CA -0.978 57.203 58.200 -0.032 0.000 1.109 77 S CB 1.118 64.293 63.200 -0.042 0.000 1.101 77 S HN -0.653 7.633 8.310 -0.040 0.000 0.471 78 L N 8.297 129.524 121.223 0.006 0.000 2.513 78 L HA -0.086 4.299 4.340 0.076 0.000 0.272 78 L C -1.105 175.784 176.870 0.031 0.000 1.187 78 L CA 0.874 55.738 54.840 0.040 0.000 0.895 78 L CB 0.686 42.765 42.059 0.033 0.000 1.147 78 L HN 0.232 8.460 8.230 -0.003 0.000 0.483 79 Q N 6.893 126.724 119.800 0.053 0.000 2.248 79 Q HA 0.528 4.874 4.340 0.010 0.000 0.263 79 Q C -1.088 174.939 176.000 0.046 0.000 1.007 79 Q CA -2.920 52.901 55.803 0.030 0.000 0.877 79 Q CB 0.166 28.910 28.738 0.010 0.000 1.315 79 Q HN 0.183 8.819 8.270 0.089 -0.313 0.454 80 P HA -0.215 4.209 4.420 0.007 0.000 0.218 80 P C 0.237 177.557 177.300 0.034 0.000 1.148 80 P CA 2.621 65.728 63.100 0.012 0.000 0.822 80 P CB 0.350 32.043 31.700 -0.012 0.000 0.784 81 E N -6.801 113.428 120.200 0.049 0.000 2.502 81 E HA -0.156 4.319 4.350 0.045 -0.097 0.194 81 E C 0.394 177.073 176.600 0.132 0.000 1.062 81 E CA 1.715 58.154 56.400 0.066 0.000 0.867 81 E CB -1.581 28.151 29.700 0.054 0.000 0.888 81 E HN 0.418 8.780 8.360 0.043 0.023 0.510 82 D N -0.552 119.955 120.400 0.180 0.000 2.339 82 D HA 0.096 4.971 4.640 0.393 0.000 0.217 82 D C -0.382 176.087 176.300 0.282 0.000 1.050 82 D CA 0.623 54.813 54.000 0.317 0.000 0.856 82 D CB 0.260 41.289 40.800 0.383 0.000 0.922 82 D HN -0.389 7.896 8.370 0.147 0.173 0.518 83 I N -3.838 116.829 120.570 0.162 0.000 2.683 83 I HA -0.174 4.240 4.170 0.174 -0.140 0.286 83 I C -1.342 174.820 176.117 0.076 0.000 1.175 83 I CA 0.786 62.164 61.300 0.130 0.000 1.429 83 I CB -0.534 37.507 38.000 0.068 0.000 1.371 83 I HN -1.087 7.156 8.210 0.122 0.040 0.569 84 A N 5.629 128.481 122.820 0.054 0.000 2.452 84 A HA 0.231 4.495 4.320 -0.092 0.000 0.294 84 A C -2.473 175.018 177.584 -0.155 0.000 1.010 84 A CA -0.075 51.881 52.037 -0.134 0.000 0.613 84 A CB 2.287 21.052 19.000 -0.392 0.000 1.363 84 A HN -0.276 7.948 8.150 0.123 0.000 0.463 85 T N 1.751 116.154 114.554 -0.251 0.000 2.767 85 T HA 0.559 5.009 4.350 -0.136 -0.182 0.284 85 T C -1.050 173.355 174.700 -0.492 0.000 0.973 85 T CA -0.295 61.639 62.100 -0.277 0.000 0.996 85 T CB 1.251 69.947 68.868 -0.285 0.000 0.927 85 T HN 0.015 8.120 8.240 -0.225 0.000 0.456 86 Y N 5.938 126.073 120.300 -0.276 0.000 2.328 86 Y HA 0.447 5.109 4.550 -0.123 -0.185 0.337 86 Y C -0.475 175.330 175.900 -0.158 0.000 1.008 86 Y CA -1.423 56.561 58.100 -0.194 0.000 1.129 86 Y CB 1.613 39.907 38.460 -0.277 0.000 1.185 86 Y HN 0.477 8.783 8.280 0.044 0.000 0.476 87 Y N 1.601 122.053 120.300 0.253 0.000 2.409 87 Y HA 0.386 5.232 4.550 0.196 -0.178 0.339 87 Y C -0.575 175.393 175.900 0.115 0.000 1.033 87 Y CA -1.320 56.915 58.100 0.224 0.000 1.094 87 Y CB 3.027 41.632 38.460 0.241 0.000 1.210 87 Y HN 0.408 8.918 8.280 0.383 0.000 0.456 88 c N -0.199 118.380 118.600 -0.035 0.000 2.365 88 c HA 0.988 5.320 4.570 -0.727 -0.198 0.349 88 c C -1.072 172.856 174.090 -0.270 0.000 1.191 88 c CA -3.883 52.105 56.329 -0.568 0.000 2.114 88 c CB 3.745 45.573 42.510 -1.136 0.000 2.367 88 c HN 0.382 8.873 8.230 0.030 -0.243 0.530 89 Q N 0.809 120.341 119.800 -0.446 0.000 2.305 89 Q HA 0.510 4.662 4.340 -0.592 -0.167 0.271 89 Q C -1.549 174.168 176.000 -0.471 0.000 1.046 89 Q CA -1.262 54.200 55.803 -0.568 0.000 0.798 89 Q CB 4.728 32.987 28.738 -0.799 0.000 1.286 89 Q HN 0.338 8.276 8.270 -0.553 0.000 0.435 90 N N 6.581 125.068 118.700 -0.355 0.000 2.431 90 N HA -0.196 4.441 4.740 -0.172 0.000 0.265 90 N C -1.237 174.148 175.510 -0.209 0.000 1.184 90 N CA 0.640 53.579 53.050 -0.184 0.000 0.943 90 N CB 0.414 38.880 38.487 -0.035 0.000 1.080 90 N HN 0.332 8.514 8.380 -0.330 0.000 0.477 91 D N 5.544 125.845 120.400 -0.164 0.000 2.431 91 D HA 0.029 4.288 4.640 -0.634 0.000 0.213 91 D C 0.747 177.084 176.300 0.062 0.000 1.130 91 D CA -0.494 53.366 54.000 -0.234 0.000 0.834 91 D CB 0.760 41.465 40.800 -0.157 0.000 0.985 91 D HN -0.100 8.219 8.370 -0.085 0.000 0.504 92 Y N 2.225 122.518 120.300 -0.011 0.000 2.206 92 Y HA -0.179 4.237 4.550 -0.224 0.000 0.292 92 Y C -0.733 175.077 175.900 -0.150 0.000 1.123 92 Y CA 2.225 60.271 58.100 -0.090 0.000 1.142 92 Y CB 1.474 39.939 38.460 0.008 0.000 1.006 92 Y HN -0.399 8.215 8.280 0.234 -0.194 0.518 93 S N -3.709 111.934 115.700 -0.096 0.000 2.546 93 S HA 0.144 4.351 4.470 -0.437 0.000 0.274 93 S C -1.922 172.650 174.600 -0.046 0.000 1.121 93 S CA -0.955 57.103 58.200 -0.236 0.000 0.887 93 S CB 2.268 65.353 63.200 -0.191 0.000 1.094 93 S HN -0.694 7.916 8.310 0.132 -0.220 0.474 94 Y N 1.166 121.422 120.300 -0.074 0.000 2.411 94 Y HA -0.059 4.449 4.550 -0.209 -0.084 0.333 94 Y C -0.305 175.554 175.900 -0.068 0.000 1.186 94 Y CA -1.952 56.051 58.100 -0.161 0.000 1.381 94 Y CB -0.562 37.737 38.460 -0.268 0.000 1.273 94 Y HN 0.141 8.234 8.280 -0.313 0.000 0.546 95 P HA 0.049 4.520 4.420 0.086 0.000 0.284 95 P C -1.535 175.904 177.300 0.232 0.000 1.253 95 P CA -1.046 62.127 63.100 0.122 0.000 0.800 95 P CB 0.779 32.520 31.700 0.068 0.000 0.961 96 W N 1.162 122.553 121.300 0.151 0.000 2.257 96 W HA -0.028 4.753 4.660 -0.033 -0.141 0.337 96 W C 0.340 176.855 176.519 -0.008 0.000 1.321 96 W CA -1.534 55.823 57.345 0.021 0.000 1.267 96 W CB -0.244 29.231 29.460 0.026 0.000 1.187 96 W HN 0.222 8.503 8.180 0.167 0.000 0.565 97 T N -1.594 113.019 114.554 0.097 0.000 2.903 97 T HA 0.379 4.865 4.350 0.227 0.000 0.299 97 T C -2.355 172.265 174.700 -0.135 0.000 1.093 97 T CA -1.779 60.371 62.100 0.083 0.000 1.002 97 T CB 2.503 71.433 68.868 0.105 0.000 1.127 97 T HN 0.044 8.292 8.240 0.013 0.000 0.488 98 F N -0.568 119.410 119.950 0.046 0.000 2.522 98 F HA 0.616 5.313 4.527 0.011 -0.163 0.324 98 F C 1.254 177.088 175.800 0.057 0.000 1.077 98 F CA -1.316 56.700 58.000 0.027 0.000 0.944 98 F CB 3.402 42.389 39.000 -0.021 0.000 1.175 98 F HN 0.092 8.629 8.300 0.394 0.000 0.468 99 G N -0.200 108.748 108.800 0.247 0.000 2.684 99 G HA2 -0.029 4.208 3.960 0.165 0.000 0.255 99 G HA3 -0.029 4.167 3.960 0.167 -0.136 0.255 99 G C -0.795 174.298 174.900 0.322 0.000 1.219 99 G CA -0.708 44.520 45.100 0.215 0.000 0.901 99 G HN 0.213 8.618 8.290 0.191 0.000 0.548 100 Q N -0.970 118.970 119.800 0.233 0.000 2.360 100 Q HA 0.059 4.589 4.340 0.318 0.000 0.202 100 Q C -0.018 176.087 176.000 0.175 0.000 0.915 100 Q CA -0.455 55.495 55.803 0.245 0.000 0.943 100 Q CB 0.309 29.136 28.738 0.149 0.000 1.064 100 Q HN 0.329 8.704 8.270 0.175 0.000 0.511 101 G N -1.780 107.053 108.800 0.055 0.000 2.690 101 G HA2 -0.271 3.755 3.960 -0.369 0.000 0.686 101 G HA3 -0.271 3.277 3.960 -0.686 0.000 0.686 101 G C -2.007 172.830 174.900 -0.105 0.000 1.277 101 G CA -0.578 44.334 45.100 -0.314 0.000 0.799 101 G HN -0.630 7.904 8.290 0.133 -0.164 0.613 102 T N 3.209 117.720 114.554 -0.071 0.000 2.815 102 T HA 0.155 4.788 4.350 0.027 -0.267 0.289 102 T C -1.275 173.449 174.700 0.041 0.000 1.000 102 T CA -0.424 61.694 62.100 0.029 0.000 0.958 102 T CB 2.057 70.982 68.868 0.096 0.000 0.944 102 T HN -0.023 8.163 8.240 -0.091 0.000 0.442 103 K N 9.465 129.882 120.400 0.028 0.000 2.276 103 K HA 0.218 4.719 4.320 0.044 -0.155 0.285 103 K C -1.710 174.950 176.600 0.101 0.000 1.062 103 K CA -0.480 55.838 56.287 0.051 0.000 0.918 103 K CB 1.327 33.846 32.500 0.032 0.000 1.055 103 K HN 0.338 8.600 8.250 0.021 0.000 0.477 104 V N 8.330 128.340 119.914 0.160 0.000 2.370 104 V HA 0.203 4.513 4.120 0.111 -0.123 0.279 104 V C -1.279 174.896 176.094 0.134 0.000 1.029 104 V CA -0.373 62.019 62.300 0.153 0.000 0.870 104 V CB 0.680 32.630 31.823 0.212 0.000 0.984 104 V HN 0.543 8.853 8.190 0.201 0.000 0.451 105 E N 6.406 126.674 120.200 0.114 0.000 2.299 105 E HA 0.533 4.956 4.350 0.123 0.000 0.265 105 E C -1.510 175.158 176.600 0.113 0.000 0.911 105 E CA -2.227 54.248 56.400 0.126 0.000 0.789 105 E CB 4.508 34.299 29.700 0.151 0.000 1.246 105 E HN 0.258 8.681 8.360 0.103 0.000 0.427 106 I N 0.797 121.436 120.570 0.115 0.000 2.441 106 I HA 0.515 4.932 4.170 0.060 -0.211 0.295 106 I C -0.483 175.689 176.117 0.091 0.000 0.994 106 I CA -1.619 59.722 61.300 0.069 0.000 1.144 106 I CB 2.715 40.721 38.000 0.011 0.000 1.314 106 I HN -0.160 8.404 8.210 0.129 -0.277 0.445 107 K N 5.899 126.326 120.400 0.043 0.000 2.159 107 K HA 0.460 4.823 4.320 0.072 0.000 0.266 107 K C -1.208 175.270 176.600 -0.203 0.000 0.975 107 K CA -1.301 54.989 56.287 0.006 0.000 0.865 107 K CB 1.662 34.228 32.500 0.109 0.000 1.087 107 K HN 0.245 8.517 8.250 0.036 0.000 0.446 108 R N 0.495 120.671 120.500 -0.541 0.000 2.870 108 R HA 0.209 4.401 4.340 -0.246 0.000 0.262 108 R C -1.265 174.816 176.300 -0.366 0.000 1.112 108 R CA -1.288 54.546 56.100 -0.444 0.000 0.976 108 R CB 1.291 31.298 30.300 -0.488 0.000 1.261 108 R HN 0.095 7.807 8.270 -0.929 0.000 0.453 109 T N -2.129 112.322 114.554 -0.172 0.000 2.900 109 T HA -0.038 4.322 4.350 0.018 0.000 0.307 109 T C -0.032 174.725 174.700 0.095 0.000 1.065 109 T CA -0.461 61.628 62.100 -0.018 0.000 1.105 109 T CB 0.706 69.577 68.868 0.005 0.000 0.979 109 T HN -0.106 8.043 8.240 -0.152 0.000 0.544 110 V N 2.312 122.349 119.914 0.205 0.000 2.673 110 V HA -0.371 4.221 4.120 0.502 -0.171 0.303 110 V C -0.496 175.755 176.094 0.261 0.000 1.046 110 V CA 1.019 63.511 62.300 0.320 0.000 1.126 110 V CB 0.290 32.251 31.823 0.229 0.000 0.934 110 V HN 0.081 8.369 8.190 0.164 0.000 0.487 111 A N 6.766 129.792 122.820 0.343 0.000 2.414 111 A HA 0.398 4.824 4.320 0.176 0.000 0.286 111 A C -1.939 175.772 177.584 0.212 0.000 1.073 111 A CA -1.165 51.014 52.037 0.236 0.000 0.727 111 A CB 3.076 22.197 19.000 0.201 0.000 1.215 111 A HN 0.529 8.961 8.150 0.471 0.000 0.430 112 A N 4.750 127.645 122.820 0.124 0.000 2.425 112 A HA 0.266 4.527 4.320 -0.098 0.000 0.242 112 A C -1.245 176.290 177.584 -0.082 0.000 1.077 112 A CA -2.241 49.789 52.037 -0.012 0.000 0.781 112 A CB -0.564 18.456 19.000 0.033 0.000 1.020 112 A HN 0.231 8.454 8.150 0.122 0.000 0.494 113 P HA -0.010 4.602 4.420 0.083 -0.142 0.275 113 P C -1.199 176.025 177.300 -0.125 0.000 1.228 113 P CA -0.641 62.384 63.100 -0.125 0.000 0.786 113 P CB 0.936 32.399 31.700 -0.395 0.000 0.927 114 S N 2.786 118.433 115.700 -0.088 0.000 2.452 114 S HA 0.206 4.500 4.470 -0.294 0.000 0.284 114 S C -1.120 173.110 174.600 -0.616 0.000 1.171 114 S CA -0.123 57.905 58.200 -0.286 0.000 1.064 114 S CB 0.913 64.057 63.200 -0.092 0.000 0.967 114 S HN -0.132 8.189 8.310 0.019 0.000 0.484 115 V N 5.550 124.985 119.914 -0.799 0.000 2.417 115 V HA 0.702 4.751 4.120 -0.475 -0.214 0.291 115 V C -1.310 174.260 176.094 -0.874 0.000 1.024 115 V CA -1.196 60.713 62.300 -0.651 0.000 0.861 115 V CB 1.756 33.367 31.823 -0.353 0.000 0.985 115 V HN 0.359 8.126 8.190 -0.705 0.000 0.436 116 F N 4.918 124.847 119.950 -0.035 0.000 2.603 116 F HA 0.434 4.875 4.527 -0.143 0.000 0.317 116 F C -1.573 174.130 175.800 -0.161 0.000 1.066 116 F CA -2.140 55.780 58.000 -0.132 0.000 0.941 116 F CB 4.107 43.010 39.000 -0.162 0.000 1.291 116 F HN 0.122 8.351 8.300 -0.118 0.000 0.472 117 I N -0.537 119.956 120.570 -0.129 0.000 2.769 117 I HA 0.706 5.127 4.170 0.127 -0.175 0.298 117 I C -2.005 173.894 176.117 -0.365 0.000 1.128 117 I CA -2.513 58.766 61.300 -0.036 0.000 1.031 117 I CB 3.832 41.961 38.000 0.215 0.000 1.235 117 I HN 0.147 8.242 8.210 -0.192 0.000 0.423 118 F N 5.200 125.246 119.950 0.160 0.000 2.539 118 F HA 0.503 4.990 4.527 -0.067 0.000 0.328 118 F C -2.383 173.361 175.800 -0.093 0.000 1.148 118 F CA -3.069 54.931 58.000 0.000 0.000 0.940 118 F CB 1.922 40.937 39.000 0.026 0.000 1.194 118 F HN 0.336 8.870 8.300 0.390 0.000 0.438 119 P HA 0.134 4.374 4.420 -0.299 0.000 0.271 119 P C -2.472 174.736 177.300 -0.152 0.000 1.244 119 P CA -1.308 61.550 63.100 -0.403 0.000 0.793 119 P CB -0.615 30.638 31.700 -0.745 0.000 0.984 120 P HA -0.002 4.407 4.420 -0.168 -0.090 0.269 120 P C -0.552 176.658 177.300 -0.150 0.000 1.215 120 P CA -0.299 62.666 63.100 -0.225 0.000 0.780 120 P CB 0.619 32.062 31.700 -0.429 0.000 0.898 121 S N 2.101 117.735 115.700 -0.109 0.000 2.585 121 S HA -0.069 4.364 4.470 -0.060 0.000 0.273 121 S C 1.390 175.949 174.600 -0.069 0.000 1.339 121 S CA -0.363 57.793 58.200 -0.074 0.000 1.028 121 S CB 1.037 64.200 63.200 -0.062 0.000 0.906 121 S HN 0.260 8.505 8.310 -0.108 0.000 0.528 122 D N 3.213 123.589 120.400 -0.040 0.000 2.178 122 D HA -0.333 4.294 4.640 -0.021 0.000 0.202 122 D C 2.089 178.373 176.300 -0.028 0.000 0.974 122 D CA 3.884 57.870 54.000 -0.024 0.000 0.841 122 D CB -0.128 40.668 40.800 -0.006 0.000 0.953 122 D HN 0.502 8.852 8.370 -0.032 0.000 0.478 123 Q N -1.073 118.708 119.800 -0.032 0.000 2.084 123 Q HA -0.307 4.019 4.340 -0.024 0.000 0.202 123 Q C 2.003 177.980 176.000 -0.039 0.000 0.978 123 Q CA 3.130 58.915 55.803 -0.031 0.000 0.844 123 Q CB -0.303 28.415 28.738 -0.032 0.000 0.898 123 Q HN 0.088 8.325 8.270 -0.034 0.012 0.426 124 Q N -0.524 119.243 119.800 -0.056 0.000 2.119 124 Q HA -0.234 4.073 4.340 -0.055 0.000 0.201 124 Q C 3.032 178.993 176.000 -0.065 0.000 0.972 124 Q CA 2.731 58.495 55.803 -0.066 0.000 0.847 124 Q CB -0.101 28.582 28.738 -0.091 0.000 0.903 124 Q HN -0.630 7.603 8.270 -0.062 0.000 0.433 125 L N -0.395 120.787 121.223 -0.068 0.000 2.083 125 L HA -0.299 4.147 4.340 -0.065 -0.145 0.209 125 L C 2.717 179.575 176.870 -0.019 0.000 1.083 125 L CA 2.728 57.538 54.840 -0.049 0.000 0.752 125 L CB -0.352 41.690 42.059 -0.029 0.000 0.899 125 L HN -0.449 7.738 8.230 -0.071 0.000 0.433 126 K N -1.121 119.270 120.400 -0.016 0.000 2.160 126 K HA -0.355 3.965 4.320 -0.001 0.000 0.206 126 K C 1.415 178.009 176.600 -0.010 0.000 1.047 126 K CA 2.993 59.275 56.287 -0.008 0.000 0.930 126 K CB -0.272 32.222 32.500 -0.009 0.000 0.720 126 K HN -0.251 7.987 8.250 -0.020 0.000 0.450 127 S N -2.442 113.247 115.700 -0.019 0.000 2.527 127 S HA -0.061 4.400 4.470 -0.014 0.000 0.222 127 S C 0.769 175.359 174.600 -0.016 0.000 0.985 127 S CA 0.615 58.804 58.200 -0.019 0.000 0.921 127 S CB 0.579 63.764 63.200 -0.026 0.000 0.772 127 S HN -0.418 7.729 8.310 -0.026 0.147 0.529 128 G N 2.048 110.840 108.800 -0.014 0.000 2.163 128 G HA2 -0.346 3.617 3.960 0.004 0.000 0.213 128 G HA3 -0.346 3.612 3.960 -0.003 0.000 0.213 128 G C -1.311 173.581 174.900 -0.012 0.000 0.991 128 G CA -0.081 45.016 45.100 -0.005 0.000 0.653 128 G HN -0.161 7.964 8.290 -0.017 0.155 0.518 129 T N 2.515 117.048 114.554 -0.035 0.000 2.906 129 T HA 0.470 4.797 4.350 -0.040 0.000 0.295 129 T C -2.858 171.775 174.700 -0.112 0.000 1.075 129 T CA -0.809 61.258 62.100 -0.055 0.000 1.005 129 T CB 3.257 72.094 68.868 -0.053 0.000 1.136 129 T HN -0.877 7.337 8.240 -0.042 0.000 0.498 130 A N 2.650 125.377 122.820 -0.156 0.000 2.385 130 A HA 0.384 4.510 4.320 -0.324 0.000 0.290 130 A C -2.613 174.810 177.584 -0.269 0.000 1.094 130 A CA -0.770 51.079 52.037 -0.312 0.000 0.729 130 A CB 2.516 21.183 19.000 -0.555 0.000 1.194 130 A HN 0.706 8.784 8.150 -0.121 0.000 0.442 131 S N 4.701 120.259 115.700 -0.236 0.000 2.437 131 S HA 0.779 5.327 4.470 -0.186 -0.189 0.305 131 S C -0.942 173.561 174.600 -0.161 0.000 1.109 131 S CA -1.588 56.506 58.200 -0.177 0.000 1.099 131 S CB 1.238 64.372 63.200 -0.110 0.000 1.004 131 S HN 0.017 8.461 8.310 -0.229 -0.272 0.475 132 V N 5.411 125.229 119.914 -0.160 0.000 2.398 132 V HA 0.330 4.645 4.120 0.079 -0.147 0.286 132 V C -1.392 174.798 176.094 0.160 0.000 1.026 132 V CA -1.163 61.142 62.300 0.009 0.000 0.868 132 V CB 1.557 33.386 31.823 0.010 0.000 0.982 132 V HN 0.686 8.731 8.190 -0.241 0.000 0.443 133 V N 6.357 126.499 119.914 0.379 0.000 2.459 133 V HA 0.577 5.153 4.120 0.454 -0.184 0.295 133 V C -1.844 174.641 176.094 0.653 0.000 1.029 133 V CA -1.999 60.586 62.300 0.475 0.000 0.874 133 V CB 3.070 35.075 31.823 0.304 0.000 0.985 133 V HN 0.023 8.446 8.190 0.388 0.000 0.438 134 c N 7.986 126.945 118.600 0.598 0.000 2.298 134 c HA 0.714 5.638 4.570 0.315 -0.165 0.323 134 c C -2.000 172.266 174.090 0.293 0.000 1.284 134 c CA -2.186 54.339 56.329 0.326 0.000 1.577 134 c CB 1.036 43.504 42.510 -0.070 0.000 2.249 134 c HN 0.716 9.325 8.230 0.632 0.000 0.497 135 L N 8.212 129.632 121.223 0.330 0.000 2.313 135 L HA 0.758 5.422 4.340 0.305 -0.142 0.283 135 L C -2.564 174.447 176.870 0.234 0.000 1.013 135 L CA -1.101 53.951 54.840 0.352 0.000 0.816 135 L CB 3.815 46.213 42.059 0.565 0.000 1.236 135 L HN 0.447 8.882 8.230 0.341 0.000 0.419 136 N N 7.132 125.961 118.700 0.215 0.000 2.476 136 N HA 0.411 5.325 4.740 0.040 -0.150 0.257 136 N C -1.580 174.155 175.510 0.375 0.000 0.970 136 N CA -1.126 52.028 53.050 0.174 0.000 0.938 136 N CB 1.348 39.883 38.487 0.080 0.000 1.144 136 N HN 0.573 9.102 8.380 0.249 0.000 0.500 137 N N 3.681 122.571 118.700 0.316 0.000 2.421 137 N HA 0.162 5.064 4.740 0.271 0.000 0.285 137 N C -1.061 174.606 175.510 0.261 0.000 1.027 137 N CA -0.238 52.995 53.050 0.305 0.000 0.918 137 N CB 2.633 41.339 38.487 0.365 0.000 1.152 137 N HN 0.272 8.780 8.380 0.213 0.000 0.485 138 N N 1.671 120.438 118.700 0.111 0.000 2.641 138 N HA -0.454 4.312 4.740 -0.084 -0.077 0.267 138 N C -1.206 174.361 175.510 0.094 0.000 1.087 138 N CA 1.467 54.531 53.050 0.023 0.000 0.731 138 N CB -1.505 37.017 38.487 0.058 0.000 0.886 138 N HN 0.097 8.503 8.380 0.043 0.000 0.547 139 F N -4.752 115.240 119.950 0.071 0.000 2.611 139 F HA 0.498 5.149 4.527 0.022 -0.111 0.324 139 F C -2.146 173.807 175.800 0.255 0.000 1.061 139 F CA -2.604 55.413 58.000 0.028 0.000 0.954 139 F CB 3.265 42.106 39.000 -0.265 0.000 1.301 139 F HN 0.026 8.001 8.300 -0.542 0.000 0.482 140 Y N -0.442 120.106 120.300 0.413 0.000 2.482 140 Y HA 0.464 5.310 4.550 0.493 0.000 0.334 140 Y C -2.883 173.319 175.900 0.502 0.000 1.091 140 Y CA -2.101 56.258 58.100 0.432 0.000 1.027 140 Y CB 3.683 42.294 38.460 0.252 0.000 1.306 140 Y HN 0.366 8.984 8.280 0.563 0.000 0.446 141 P HA 0.208 3.426 4.420 -2.003 0.000 0.286 141 P C -1.678 175.566 177.300 -0.094 0.000 1.293 141 P CA -0.616 61.996 63.100 -0.813 0.000 0.770 141 P CB 1.999 33.340 31.700 -0.597 0.000 1.206 142 K N -2.275 117.900 120.400 -0.374 0.000 2.283 142 K HA -0.213 3.963 4.320 -0.240 0.000 0.202 142 K C 0.620 177.269 176.600 0.082 0.000 1.048 142 K CA 1.955 58.039 56.287 -0.338 0.000 0.948 142 K CB 0.056 32.004 32.500 -0.920 0.000 0.742 142 K HN 0.138 8.056 8.250 -0.552 0.000 0.458 143 E N -1.218 118.969 120.200 -0.020 0.000 1.795 143 E HA -0.118 4.218 4.350 -0.023 0.000 0.261 143 E C -1.873 174.732 176.600 0.008 0.000 1.238 143 E CA -0.067 56.316 56.400 -0.028 0.000 1.001 143 E CB -1.727 27.914 29.700 -0.098 0.000 1.065 143 E HN -0.032 8.232 8.360 -0.102 0.035 0.418 144 A N 3.745 126.565 122.820 -0.000 0.000 2.324 144 A HA 0.477 4.884 4.320 -0.056 -0.121 0.330 144 A C -0.830 176.688 177.584 -0.109 0.000 1.165 144 A CA -1.640 50.317 52.037 -0.134 0.000 0.813 144 A CB 2.357 21.005 19.000 -0.587 0.000 1.197 144 A HN -0.368 7.802 8.150 0.035 0.000 0.484 145 K N 3.188 123.521 120.400 -0.112 0.000 2.323 145 K HA 0.383 4.662 4.320 -0.068 0.000 0.259 145 K C -1.444 175.085 176.600 -0.118 0.000 0.947 145 K CA -1.031 55.203 56.287 -0.088 0.000 0.819 145 K CB 2.591 35.049 32.500 -0.070 0.000 1.109 145 K HN 0.204 8.384 8.250 -0.117 0.000 0.429 146 V N 4.412 124.261 119.914 -0.109 0.000 2.459 146 V HA 0.558 4.725 4.120 -0.214 -0.175 0.295 146 V C -0.209 175.798 176.094 -0.144 0.000 1.029 146 V CA -1.492 60.705 62.300 -0.172 0.000 0.874 146 V CB 2.058 33.772 31.823 -0.182 0.000 0.985 146 V HN 0.395 8.541 8.190 -0.073 0.000 0.438 147 Q N 4.802 124.481 119.800 -0.202 0.000 2.375 147 Q HA 0.385 4.713 4.340 -0.021 0.000 0.271 147 Q C -1.782 174.106 176.000 -0.187 0.000 1.074 147 Q CA -1.772 53.965 55.803 -0.109 0.000 0.808 147 Q CB 4.497 33.201 28.738 -0.057 0.000 1.327 147 Q HN 0.396 8.518 8.270 -0.246 0.000 0.441 148 W N 2.533 123.835 121.300 0.002 0.000 2.433 148 W HA 0.502 5.339 4.660 0.017 -0.167 0.315 148 W C -0.351 176.152 176.519 -0.026 0.000 1.087 148 W CA -1.252 56.099 57.345 0.009 0.000 1.205 148 W CB 2.016 31.499 29.460 0.038 0.000 1.288 148 W HN 0.498 8.846 8.180 0.280 0.000 0.504 149 K N 2.127 122.645 120.400 0.196 0.000 2.345 149 K HA 0.703 5.253 4.320 0.037 -0.208 0.255 149 K C -1.430 175.155 176.600 -0.025 0.000 0.934 149 K CA -1.168 55.148 56.287 0.049 0.000 0.801 149 K CB 3.708 36.197 32.500 -0.018 0.000 1.137 149 K HN 0.692 9.061 8.250 0.199 0.000 0.424 150 V N 4.289 124.110 119.914 -0.154 0.000 2.378 150 V HA 0.512 4.517 4.120 -0.522 -0.198 0.288 150 V C -0.023 175.847 176.094 -0.373 0.000 1.016 150 V CA -1.476 60.578 62.300 -0.409 0.000 0.840 150 V CB 1.865 33.377 31.823 -0.519 0.000 0.994 150 V HN 0.098 8.207 8.190 -0.135 0.000 0.431 151 D N 9.159 129.352 120.400 -0.345 0.000 2.751 151 D HA -0.347 4.188 4.640 -0.174 0.000 0.233 151 D C -0.381 175.840 176.300 -0.132 0.000 1.149 151 D CA 1.848 55.731 54.000 -0.194 0.000 0.682 151 D CB -1.148 39.581 40.800 -0.118 0.000 1.068 151 D HN 0.758 8.877 8.370 -0.419 0.000 0.429 152 N N -7.308 111.316 118.700 -0.127 0.000 2.909 152 N HA -0.434 4.260 4.740 -0.077 0.000 0.242 152 N C -1.651 173.816 175.510 -0.072 0.000 0.975 152 N CA 1.275 54.275 53.050 -0.083 0.000 0.921 152 N CB -0.159 38.290 38.487 -0.063 0.000 1.112 152 N HN 0.388 8.662 8.380 -0.147 0.018 0.581 153 A N -1.300 121.464 122.820 -0.093 0.000 2.276 153 A HA 0.175 4.463 4.320 -0.054 0.000 0.300 153 A C -0.825 176.728 177.584 -0.053 0.000 1.235 153 A CA -0.988 51.005 52.037 -0.073 0.000 0.867 153 A CB 0.999 19.942 19.000 -0.095 0.000 1.137 153 A HN -0.520 7.377 8.150 -0.127 0.176 0.527 154 L N 3.992 125.200 121.223 -0.024 0.000 2.499 154 L HA 0.006 4.510 4.340 0.021 -0.151 0.273 154 L C 0.024 176.903 176.870 0.016 0.000 1.195 154 L CA 0.793 55.637 54.840 0.006 0.000 0.882 154 L CB 0.608 42.670 42.059 0.005 0.000 1.133 154 L HN 0.431 8.647 8.230 -0.025 0.000 0.483 155 Q N 6.932 126.768 119.800 0.059 0.000 2.214 155 Q HA 0.294 4.646 4.340 0.020 0.000 0.251 155 Q C -0.753 175.287 176.000 0.067 0.000 0.936 155 Q CA -1.246 54.591 55.803 0.057 0.000 0.894 155 Q CB 1.569 30.361 28.738 0.090 0.000 1.252 155 Q HN 0.121 8.451 8.270 0.099 0.000 0.448 156 S N 0.605 116.330 115.700 0.041 0.000 2.548 156 S HA 0.110 4.616 4.470 0.059 0.000 0.276 156 S C 0.727 175.344 174.600 0.029 0.000 1.129 156 S CA -0.124 58.101 58.200 0.042 0.000 0.931 156 S CB 0.725 63.943 63.200 0.030 0.000 1.068 156 S HN -0.046 8.280 8.310 0.026 0.000 0.480 157 G N 5.649 114.468 108.800 0.032 0.000 2.175 157 G HA2 -0.304 3.670 3.960 0.023 0.000 0.244 157 G HA3 -0.304 3.666 3.960 0.016 0.000 0.244 157 G C -0.628 174.277 174.900 0.008 0.000 0.982 157 G CA 0.099 45.212 45.100 0.020 0.000 0.641 157 G HN 0.487 8.803 8.290 0.044 0.000 0.527 158 N N -1.632 117.067 118.700 -0.003 0.000 2.299 158 N HA 0.107 4.831 4.740 -0.027 0.000 0.246 158 N C -1.723 173.741 175.510 -0.077 0.000 1.254 158 N CA -0.735 52.292 53.050 -0.037 0.000 0.879 158 N CB 0.699 39.157 38.487 -0.048 0.000 1.214 158 N HN -0.084 8.258 8.380 0.006 0.042 0.510 159 S N -0.301 115.384 115.700 -0.025 0.000 2.595 159 S HA 0.870 5.480 4.470 -0.073 -0.183 0.281 159 S C -0.802 173.834 174.600 0.060 0.000 1.117 159 S CA -1.247 56.948 58.200 -0.008 0.000 0.873 159 S CB 3.012 66.252 63.200 0.066 0.000 1.108 159 S HN -0.715 7.603 8.310 0.013 0.000 0.477 160 Q N -0.957 118.893 119.800 0.083 0.000 2.389 160 Q HA 0.483 4.875 4.340 0.086 0.000 0.277 160 Q C -2.094 173.984 176.000 0.130 0.000 1.082 160 Q CA -0.829 55.027 55.803 0.089 0.000 0.810 160 Q CB 4.656 33.426 28.738 0.055 0.000 1.374 160 Q HN 0.221 8.541 8.270 0.084 0.000 0.422 161 E N 0.813 121.083 120.200 0.117 0.000 2.408 161 E HA 1.012 5.618 4.350 0.144 -0.170 0.275 161 E C -1.379 175.281 176.600 0.100 0.000 0.935 161 E CA -1.769 54.708 56.400 0.129 0.000 0.775 161 E CB 3.919 33.703 29.700 0.140 0.000 1.277 161 E HN 0.248 8.667 8.360 0.098 0.000 0.455 162 S N -0.496 115.268 115.700 0.107 0.000 2.556 162 S HA 0.412 4.934 4.470 0.087 0.000 0.271 162 S C -1.600 173.071 174.600 0.118 0.000 1.135 162 S CA -0.725 57.532 58.200 0.095 0.000 0.858 162 S CB 2.512 65.758 63.200 0.076 0.000 1.114 162 S HN 0.385 8.767 8.310 0.120 0.000 0.468 163 V N 2.541 122.523 119.914 0.113 0.000 2.547 163 V HA 0.510 4.894 4.120 0.167 -0.164 0.299 163 V C 0.858 177.028 176.094 0.125 0.000 1.040 163 V CA -1.656 60.728 62.300 0.139 0.000 0.913 163 V CB 2.243 34.141 31.823 0.125 0.000 0.992 163 V HN 0.278 8.525 8.190 0.095 0.000 0.449 164 T N 3.801 118.434 114.554 0.132 0.000 2.813 164 T HA 0.013 4.413 4.350 0.085 0.000 0.297 164 T C -0.180 174.618 174.700 0.164 0.000 1.036 164 T CA -0.448 61.717 62.100 0.107 0.000 1.044 164 T CB 1.011 69.911 68.868 0.054 0.000 0.993 164 T HN 0.177 8.495 8.240 0.131 0.000 0.535 165 Q N -0.450 119.410 119.800 0.100 0.000 2.540 165 Q HA -0.229 4.208 4.340 0.163 0.000 0.256 165 Q C -0.295 175.687 176.000 -0.030 0.000 1.084 165 Q CA 0.827 56.685 55.803 0.092 0.000 0.956 165 Q CB 0.298 29.060 28.738 0.040 0.000 1.303 165 Q HN 0.149 8.460 8.270 0.069 0.000 0.509 166 Q N 0.443 120.162 119.800 -0.135 0.000 2.364 166 Q HA -0.210 3.647 4.340 -1.053 -0.148 0.267 166 Q C 0.008 175.839 176.000 -0.282 0.000 0.999 166 Q CA 0.500 55.986 55.803 -0.528 0.000 0.886 166 Q CB 0.800 29.296 28.738 -0.404 0.000 1.243 166 Q HN 0.172 8.443 8.270 0.001 0.000 0.415 167 D N 3.494 123.709 120.400 -0.308 0.000 2.390 167 D HA -0.031 4.533 4.640 -0.126 0.000 0.249 167 D C 1.003 177.237 176.300 -0.109 0.000 1.144 167 D CA 0.327 54.229 54.000 -0.164 0.000 0.880 167 D CB 1.764 42.475 40.800 -0.149 0.000 1.182 167 D HN -0.051 8.067 8.370 -0.420 0.000 0.451 168 S N 5.281 120.944 115.700 -0.062 0.000 2.515 168 S HA -0.190 4.266 4.470 -0.023 0.000 0.231 168 S C 0.893 175.478 174.600 -0.025 0.000 0.987 168 S CA 1.938 60.121 58.200 -0.029 0.000 0.936 168 S CB 0.225 63.419 63.200 -0.010 0.000 0.766 168 S HN 0.275 8.552 8.310 -0.055 0.000 0.528 169 K N -0.185 120.193 120.400 -0.037 0.000 2.286 169 K HA 0.083 4.391 4.320 -0.021 0.000 0.203 169 K C 0.424 177.001 176.600 -0.039 0.000 1.078 169 K CA 1.668 57.938 56.287 -0.029 0.000 0.957 169 K CB 1.343 33.829 32.500 -0.023 0.000 1.018 169 K HN -0.449 8.028 8.250 -0.047 -0.254 0.484 170 D N -4.023 116.345 120.400 -0.053 0.000 2.469 170 D HA 0.198 4.808 4.640 -0.050 0.000 0.215 170 D C -0.468 175.780 176.300 -0.086 0.000 1.154 170 D CA -0.984 52.982 54.000 -0.056 0.000 0.832 170 D CB 0.338 41.115 40.800 -0.038 0.000 1.008 170 D HN -0.471 8.146 8.370 -0.061 -0.283 0.506 171 S N -3.421 112.211 115.700 -0.113 0.000 3.476 171 S HA -0.471 4.033 4.470 -0.170 -0.136 0.309 171 S C -0.657 173.836 174.600 -0.179 0.000 1.222 171 S CA 1.193 59.301 58.200 -0.152 0.000 0.922 171 S CB -1.795 61.323 63.200 -0.137 0.000 1.023 171 S HN -0.186 8.061 8.310 -0.106 0.000 0.591 172 T N -5.446 108.992 114.554 -0.192 0.000 2.884 172 T HA 0.372 4.799 4.350 0.020 -0.065 0.277 172 T C -1.351 173.047 174.700 -0.503 0.000 0.976 172 T CA -1.797 60.201 62.100 -0.170 0.000 0.956 172 T CB 2.565 71.385 68.868 -0.080 0.000 1.113 172 T HN -0.733 7.618 8.240 -0.173 -0.214 0.554 173 Y N -3.380 116.698 120.300 -0.370 0.000 2.562 173 Y HA 0.515 4.888 4.550 -0.295 0.000 0.343 173 Y C -0.673 174.725 175.900 -0.837 0.000 1.025 173 Y CA -1.427 56.353 58.100 -0.534 0.000 1.082 173 Y CB 4.144 42.260 38.460 -0.575 0.000 1.264 173 Y HN 0.365 8.455 8.280 -0.318 0.000 0.478 174 S N -1.328 114.208 115.700 -0.273 0.000 2.599 174 S HA 0.773 5.306 4.470 -0.075 -0.108 0.287 174 S C -2.107 172.605 174.600 0.187 0.000 1.105 174 S CA -1.339 56.829 58.200 -0.052 0.000 0.899 174 S CB 3.605 66.839 63.200 0.056 0.000 1.100 174 S HN 0.321 8.573 8.310 -0.097 0.000 0.482 175 L N 1.190 122.640 121.223 0.379 0.000 2.445 175 L HA 0.701 5.356 4.340 0.247 -0.168 0.262 175 L C -2.701 174.313 176.870 0.240 0.000 0.974 175 L CA -0.557 54.471 54.840 0.314 0.000 0.822 175 L CB 4.377 46.669 42.059 0.387 0.000 1.339 175 L HN 0.602 9.096 8.230 0.440 0.000 0.409 176 S N 4.304 120.119 115.700 0.193 0.000 2.502 176 S HA 0.749 5.524 4.470 0.216 -0.175 0.304 176 S C -1.797 172.921 174.600 0.197 0.000 1.097 176 S CA -1.748 56.567 58.200 0.192 0.000 1.045 176 S CB 1.634 64.927 63.200 0.154 0.000 1.019 176 S HN 0.176 8.591 8.310 0.175 0.000 0.481 177 S N 6.502 122.357 115.700 0.258 0.000 2.500 177 S HA 0.763 5.565 4.470 0.273 -0.168 0.301 177 S C -1.399 173.472 174.600 0.451 0.000 1.092 177 S CA -1.849 56.556 58.200 0.342 0.000 1.030 177 S CB 1.865 65.294 63.200 0.382 0.000 1.031 177 S HN 0.626 9.104 8.310 0.279 0.000 0.483 178 T N 8.505 123.240 114.554 0.303 0.000 2.812 178 T HA 0.588 5.244 4.350 0.188 -0.193 0.282 178 T C -1.842 172.797 174.700 -0.103 0.000 0.990 178 T CA -0.349 61.833 62.100 0.136 0.000 0.960 178 T CB 2.189 71.089 68.868 0.054 0.000 0.948 178 T HN 0.693 9.079 8.240 0.243 0.000 0.438 179 L N 9.060 129.974 121.223 -0.515 0.000 2.257 179 L HA 0.469 4.596 4.340 -0.613 -0.156 0.290 179 L C -2.135 174.505 176.870 -0.383 0.000 1.044 179 L CA -1.274 53.110 54.840 -0.760 0.000 0.810 179 L CB 2.036 43.139 42.059 -1.594 0.000 1.193 179 L HN 0.743 8.630 8.230 -0.572 0.000 0.425 180 T N 11.090 125.506 114.554 -0.229 0.000 2.786 180 T HA 0.631 5.075 4.350 -0.161 -0.190 0.283 180 T C -1.147 173.499 174.700 -0.090 0.000 0.992 180 T CA -0.119 61.895 62.100 -0.143 0.000 0.954 180 T CB 1.015 69.826 68.868 -0.096 0.000 0.934 180 T HN 0.087 8.204 8.240 -0.204 0.000 0.440 181 L N 4.841 126.026 121.223 -0.063 0.000 2.333 181 L HA 0.539 4.886 4.340 0.011 0.000 0.263 181 L C -0.789 176.090 176.870 0.014 0.000 1.014 181 L CA -2.557 52.289 54.840 0.009 0.000 0.820 181 L CB 4.235 46.353 42.059 0.099 0.000 1.352 181 L HN 0.407 8.583 8.230 -0.090 0.000 0.421 182 S N -0.722 115.004 115.700 0.042 0.000 2.573 182 S HA -0.100 4.381 4.470 0.018 0.000 0.277 182 S C 0.997 175.644 174.600 0.079 0.000 1.346 182 S CA -0.352 57.873 58.200 0.042 0.000 1.034 182 S CB 1.252 64.480 63.200 0.046 0.000 0.879 182 S HN 0.451 8.791 8.310 0.050 0.000 0.528 183 K N 3.794 124.230 120.400 0.060 0.000 2.103 183 K HA -0.397 3.996 4.320 0.121 0.000 0.207 183 K C 1.486 178.175 176.600 0.149 0.000 1.048 183 K CA 3.564 59.913 56.287 0.103 0.000 0.930 183 K CB -0.174 32.362 32.500 0.061 0.000 0.716 183 K HN 0.089 8.270 8.250 0.036 0.090 0.444 184 A N -1.748 121.130 122.820 0.097 0.000 1.877 184 A HA -0.260 4.101 4.320 0.070 0.000 0.216 184 A C 2.210 179.852 177.584 0.096 0.000 1.186 184 A CA 3.002 55.087 52.037 0.079 0.000 0.620 184 A CB -1.006 18.023 19.000 0.050 0.000 0.822 184 A HN 0.115 8.298 8.150 0.075 0.012 0.443 185 D N -1.621 118.857 120.400 0.130 0.000 2.117 185 D HA -0.208 4.512 4.640 0.133 0.000 0.198 185 D C 2.564 179.034 176.300 0.283 0.000 0.982 185 D CA 2.969 57.077 54.000 0.179 0.000 0.828 185 D CB -0.026 40.886 40.800 0.187 0.000 0.967 185 D HN -0.576 7.868 8.370 0.123 0.000 0.464 186 Y N 1.894 122.290 120.300 0.159 0.000 2.165 186 Y HA -0.287 4.462 4.550 0.333 0.000 0.286 186 Y C 2.187 178.213 175.900 0.211 0.000 1.155 186 Y CA 2.653 60.871 58.100 0.197 0.000 1.164 186 Y CB 0.250 38.732 38.460 0.036 0.000 0.978 186 Y HN -0.298 8.190 8.280 0.346 0.000 0.513 187 E N -2.879 117.366 120.200 0.076 0.000 2.418 187 E HA -0.102 4.166 4.350 -0.136 0.000 0.197 187 E C 0.673 177.225 176.600 -0.080 0.000 1.026 187 E CA 1.465 57.842 56.400 -0.037 0.000 0.862 187 E CB -0.690 29.036 29.700 0.044 0.000 0.799 187 E HN -0.290 8.165 8.360 0.172 0.009 0.518 188 K N -2.937 117.397 120.400 -0.109 0.000 2.426 188 K HA -0.077 4.108 4.320 -0.225 0.000 0.193 188 K C -0.201 176.086 176.600 -0.522 0.000 1.028 188 K CA 0.574 56.676 56.287 -0.308 0.000 1.047 188 K CB 0.725 32.980 32.500 -0.408 0.000 0.821 188 K HN -0.639 7.420 8.250 -0.042 0.165 0.513 189 H N -2.709 116.332 119.070 -0.048 0.000 2.894 189 H HA 0.302 4.868 4.556 -0.115 -0.079 0.368 189 H C -1.469 173.787 175.328 -0.119 0.000 1.181 189 H CA -0.897 55.079 56.048 -0.119 0.000 1.146 189 H CB 3.886 33.519 29.762 -0.214 0.000 1.839 189 H HN -0.752 7.460 8.280 -0.031 0.049 0.557 190 K N 0.695 121.068 120.400 -0.045 0.000 2.273 190 K HA 0.173 4.503 4.320 0.017 0.000 0.206 190 K C -0.851 175.687 176.600 -0.104 0.000 1.072 190 K CA 0.244 56.509 56.287 -0.037 0.000 0.953 190 K CB 1.663 34.144 32.500 -0.032 0.000 1.043 190 K HN -0.120 8.491 8.250 -0.064 -0.399 0.477 191 V N 0.872 120.628 119.914 -0.263 0.000 2.383 191 V HA 0.215 4.370 4.120 -0.208 -0.159 0.275 191 V C -1.144 174.605 176.094 -0.576 0.000 1.036 191 V CA -0.317 61.806 62.300 -0.294 0.000 0.889 191 V CB 0.399 32.109 31.823 -0.189 0.000 0.985 191 V HN -0.475 7.864 8.190 -0.261 -0.305 0.459 192 Y N 7.903 127.939 120.300 -0.441 0.000 2.328 192 Y HA 0.338 4.805 4.550 -0.138 0.000 0.337 192 Y C -1.809 173.980 175.900 -0.186 0.000 0.966 192 Y CA -1.509 56.382 58.100 -0.349 0.000 1.136 192 Y CB 2.182 40.266 38.460 -0.626 0.000 1.170 192 Y HN 0.461 8.482 8.280 -0.431 0.000 0.470 193 A N 2.502 125.395 122.820 0.122 0.000 2.393 193 A HA 0.737 5.258 4.320 0.049 -0.171 0.306 193 A C -2.610 174.968 177.584 -0.010 0.000 1.050 193 A CA -2.188 49.881 52.037 0.054 0.000 0.724 193 A CB 3.700 22.682 19.000 -0.030 0.000 1.248 193 A HN 0.669 8.918 8.150 0.166 0.000 0.424 194 c N 4.417 122.875 118.600 -0.238 0.000 2.298 194 c HA 0.744 4.962 4.570 -0.824 -0.143 0.323 194 c C -1.314 172.569 174.090 -0.345 0.000 1.284 194 c CA -2.482 53.490 56.329 -0.595 0.000 1.577 194 c CB 1.105 43.147 42.510 -0.781 0.000 2.249 194 c HN 0.605 8.742 8.230 -0.155 0.000 0.497 195 E N 9.437 129.450 120.200 -0.312 0.000 2.158 195 E HA 0.688 5.078 4.350 -0.181 -0.149 0.271 195 E C -1.858 174.617 176.600 -0.208 0.000 0.911 195 E CA -1.780 54.497 56.400 -0.204 0.000 0.767 195 E CB 3.306 32.922 29.700 -0.139 0.000 1.120 195 E HN 0.737 8.885 8.360 -0.353 0.000 0.405 196 V N 7.987 127.791 119.914 -0.183 0.000 2.495 196 V HA 0.814 5.046 4.120 -0.187 -0.224 0.298 196 V C -1.000 175.016 176.094 -0.130 0.000 1.031 196 V CA -1.957 60.236 62.300 -0.180 0.000 0.871 196 V CB 2.789 34.482 31.823 -0.216 0.000 0.988 196 V HN 0.872 8.962 8.190 -0.167 0.000 0.432 197 T N 2.451 116.939 114.554 -0.110 0.000 2.885 197 T HA 0.463 4.776 4.350 -0.061 0.000 0.285 197 T C -1.984 172.693 174.700 -0.038 0.000 1.019 197 T CA -2.522 59.535 62.100 -0.071 0.000 1.010 197 T CB 2.122 70.949 68.868 -0.069 0.000 1.022 197 T HN 0.482 8.651 8.240 -0.118 0.000 0.466 198 H N 3.532 122.520 119.070 -0.137 0.000 3.068 198 H HA 0.365 4.831 4.556 -0.149 0.000 0.342 198 H C -0.125 175.154 175.328 -0.081 0.000 1.284 198 H CA 0.047 56.009 56.048 -0.143 0.000 1.181 198 H CB 3.175 32.812 29.762 -0.208 0.000 1.898 198 H HN 0.278 8.560 8.280 0.003 0.000 0.540 199 Q N 4.761 124.142 119.800 -0.697 0.000 2.436 199 Q HA -0.050 4.164 4.340 -0.209 0.000 0.209 199 Q C 0.753 176.673 176.000 -0.133 0.000 0.965 199 Q CA 1.799 57.393 55.803 -0.348 0.000 0.910 199 Q CB 0.271 28.806 28.738 -0.338 0.000 0.980 199 Q HN 0.776 8.274 8.270 -1.286 0.000 0.491 200 G N -3.320 105.519 108.800 0.064 0.000 3.042 200 G HA2 0.065 4.100 3.960 0.125 0.000 0.212 200 G HA3 0.065 4.228 3.960 0.338 0.000 0.212 200 G C -0.533 174.447 174.900 0.133 0.000 1.166 200 G CA -0.255 44.970 45.100 0.207 0.000 0.767 200 G HN -0.540 7.828 8.290 0.201 0.043 0.546 201 L N -0.961 120.316 121.223 0.090 0.000 2.341 201 L HA 0.215 4.574 4.340 0.032 0.000 0.278 201 L C -0.167 176.706 176.870 0.005 0.000 1.005 201 L CA -0.914 53.947 54.840 0.036 0.000 0.818 201 L CB 1.417 43.488 42.059 0.019 0.000 1.259 201 L HN -0.637 7.477 8.230 0.077 0.161 0.418 202 S N 2.722 118.422 115.700 -0.000 0.000 2.402 202 S HA -0.130 4.334 4.470 -0.009 0.000 0.229 202 S C 0.282 174.871 174.600 -0.017 0.000 1.021 202 S CA 1.480 59.675 58.200 -0.009 0.000 0.974 202 S CB -0.069 63.127 63.200 -0.006 0.000 0.800 202 S HN 0.304 8.615 8.310 0.002 0.000 0.484 203 S N -0.804 114.884 115.700 -0.021 0.000 2.651 203 S HA 0.326 4.778 4.470 -0.030 0.000 0.279 203 S C -2.758 171.819 174.600 -0.037 0.000 1.148 203 S CA -2.303 55.880 58.200 -0.028 0.000 0.837 203 S CB 0.834 64.018 63.200 -0.026 0.000 1.138 203 S HN -0.803 7.495 8.310 -0.019 0.000 0.478 204 P HA 0.105 4.635 4.420 -0.064 -0.149 0.269 204 P C -1.280 175.979 177.300 -0.067 0.000 1.215 204 P CA -0.266 62.798 63.100 -0.061 0.000 0.780 204 P CB 0.509 32.171 31.700 -0.064 0.000 0.898 205 V N 1.715 121.576 119.914 -0.088 0.000 2.495 205 V HA 0.369 4.440 4.120 -0.081 0.000 0.298 205 V C -1.542 174.482 176.094 -0.118 0.000 1.031 205 V CA -1.889 60.353 62.300 -0.098 0.000 0.871 205 V CB 3.180 34.935 31.823 -0.112 0.000 0.988 205 V HN 0.440 8.571 8.190 -0.098 0.000 0.432 206 T N 4.424 118.917 114.554 -0.102 0.000 2.841 206 T HA 0.668 5.146 4.350 -0.133 -0.208 0.283 206 T C -0.908 173.739 174.700 -0.089 0.000 1.000 206 T CA -2.419 59.617 62.100 -0.105 0.000 0.977 206 T CB 2.126 70.945 68.868 -0.082 0.000 0.979 206 T HN 0.004 8.192 8.240 -0.087 0.000 0.446 207 K N 5.547 125.892 120.400 -0.093 0.000 2.345 207 K HA 0.359 4.662 4.320 -0.029 0.000 0.255 207 K C -1.767 174.845 176.600 0.020 0.000 0.934 207 K CA -1.008 55.254 56.287 -0.042 0.000 0.801 207 K CB 3.032 35.492 32.500 -0.067 0.000 1.137 207 K HN 0.439 8.616 8.250 -0.121 0.000 0.424 208 S N 1.042 116.789 115.700 0.079 0.000 2.638 208 S HA 0.886 5.589 4.470 0.138 -0.150 0.274 208 S C -1.698 173.043 174.600 0.235 0.000 1.157 208 S CA -2.109 56.159 58.200 0.112 0.000 0.826 208 S CB 2.831 66.039 63.200 0.014 0.000 1.139 208 S HN -0.280 8.077 8.310 0.077 0.000 0.474 209 F N -4.198 115.841 119.950 0.147 0.000 2.645 209 F HA 0.399 4.985 4.527 0.097 0.000 0.310 209 F C -2.641 173.264 175.800 0.174 0.000 1.102 209 F CA -1.501 56.582 58.000 0.138 0.000 0.952 209 F CB 2.637 41.720 39.000 0.138 0.000 1.326 209 F HN 0.177 8.381 8.300 -0.160 0.000 0.456 210 N N 2.176 121.045 118.700 0.281 0.000 2.425 210 N HA 0.253 5.228 4.740 0.072 -0.192 0.268 210 N C -0.204 175.530 175.510 0.374 0.000 0.991 210 N CA -0.873 52.291 53.050 0.190 0.000 0.931 210 N CB 0.617 39.176 38.487 0.120 0.000 1.130 210 N HN 0.145 8.722 8.380 0.329 0.000 0.493 211 R N 5.180 125.880 120.500 0.333 0.000 2.504 211 R HA -0.292 4.364 4.340 0.526 0.000 0.291 211 R C 0.654 177.070 176.300 0.194 0.000 0.974 211 R CA 1.988 58.284 56.100 0.326 0.000 1.077 211 R CB 0.483 30.819 30.300 0.060 0.000 0.926 211 R HN 0.363 8.778 8.270 0.241 0.000 0.407 212 G N 4.606 113.521 108.800 0.192 0.000 2.160 212 G HA2 -0.300 3.726 3.960 0.111 0.000 0.244 212 G HA3 -0.300 3.718 3.960 0.096 0.000 0.244 212 G C -0.424 174.538 174.900 0.104 0.000 1.022 212 G CA -0.031 45.141 45.100 0.120 0.000 0.741 212 G HN 0.591 9.017 8.290 0.228 0.000 0.508 213 C N 0.000 119.378 119.300 0.130 0.000 2.653 213 C HA 0.000 4.508 4.460 0.080 0.000 0.325 213 C CA 0.000 59.080 59.018 0.103 0.000 1.963 213 C CB 0.000 27.810 27.740 0.117 0.000 2.134 213 C HN 0.000 8.333 8.230 0.171 0.000 0.568