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 2ku2_1_C DATA FIRST_RESID -3 DATA SEQUENCE GAMGMQQGQM AGGRAITVFS PDGRLFQVEY AREAVKKGST ALGMKFANGV DATA SEQUENCE LLISDKKVRS RLIEQNSIEK IQLIDDYVAA VTSGLVADAR VLVDFARISA DATA SEQUENCE QQEKVTYGSL VNIENLVKRV ADQMQQYTQY GGVRPYGVSL IFAGIDQIGP DATA SEQUENCE RLFDCDPAGT INEYKATAIG SGKDAVVSFL EREYKENLPE KEAVTLGIKA DATA SEQUENCE LKSSLEEGEE LKAPEIASIT VGNKYRIYDQ EEVKKFL 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 -3 G HA2 0.000 nan 3.960 nan 0.000 0.244 -3 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 -3 G C 0.000 174.901 174.900 0.002 0.000 0.946 -3 G CA 0.000 45.101 45.100 0.002 0.000 0.502 -2 A N 0.796 123.617 122.820 0.001 0.000 1.930 -2 A HA 0.021 4.342 4.320 0.001 0.000 0.217 -2 A C 0.854 178.439 177.584 0.001 0.000 1.175 -2 A CA 1.050 53.088 52.037 0.001 0.000 0.627 -2 A CB 0.133 19.133 19.000 0.001 0.000 0.815 -2 A HN 0.052 8.203 8.150 0.002 0.000 0.443 -1 M N -0.012 119.589 119.600 0.001 0.000 2.216 -1 M HA 0.012 4.493 4.480 0.000 0.000 0.356 -1 M C -0.264 176.036 176.300 0.000 0.000 1.205 -1 M CA -0.468 54.832 55.300 0.001 0.000 1.122 -1 M CB 0.748 33.348 32.600 0.001 0.000 1.571 -1 M HN -0.567 7.712 8.290 0.001 0.012 0.464 0 G N 2.366 111.166 108.800 0.000 0.000 2.483 0 G HA2 0.010 3.970 3.960 -0.000 0.000 0.248 0 G HA3 0.010 3.970 3.960 -0.000 0.000 0.248 0 G C -1.343 173.557 174.900 -0.000 0.000 1.248 0 G CA -0.456 44.644 45.100 -0.000 0.000 0.838 0 G HN 0.130 8.420 8.290 0.000 0.000 0.566 1 M N 0.025 119.625 119.600 -0.001 0.000 2.501 1 M HA 0.109 4.588 4.480 -0.001 0.000 0.293 1 M C -0.879 175.420 176.300 -0.002 0.000 1.192 1 M CA -0.480 54.819 55.300 -0.001 0.000 0.886 1 M CB 3.134 35.733 32.600 -0.001 0.000 1.710 1 M HN -0.257 8.032 8.290 -0.001 0.000 0.457 2 Q N 2.089 121.888 119.800 -0.002 0.000 2.322 2 Q HA 0.205 4.544 4.340 -0.003 0.000 0.265 2 Q C -0.392 175.606 176.000 -0.004 0.000 0.985 2 Q CA -0.552 55.249 55.803 -0.003 0.000 0.849 2 Q CB 0.808 29.545 28.738 -0.002 0.000 1.274 2 Q HN 0.182 8.451 8.270 -0.002 0.000 0.449 3 Q N 2.881 122.678 119.800 -0.005 0.000 2.296 3 Q HA 0.012 4.346 4.340 -0.009 0.000 0.262 3 Q C 0.014 176.009 176.000 -0.008 0.000 0.981 3 Q CA 0.351 56.149 55.803 -0.008 0.000 0.905 3 Q CB 0.498 29.230 28.738 -0.010 0.000 1.186 3 Q HN 0.231 8.498 8.270 -0.005 0.000 0.399 4 G N 1.040 109.834 108.800 -0.009 0.000 2.608 4 G HA2 -0.021 3.935 3.960 -0.007 0.000 0.291 4 G HA3 -0.021 3.937 3.960 -0.004 0.000 0.291 4 G C -1.946 172.949 174.900 -0.007 0.000 1.425 4 G CA 0.068 45.163 45.100 -0.007 0.000 0.787 4 G HN 0.030 8.313 8.290 -0.011 0.000 0.484 5 Q N -0.461 119.337 119.800 -0.002 0.000 2.406 5 Q HA -0.301 4.044 4.340 0.008 0.000 0.320 5 Q C -0.609 175.388 176.000 -0.004 0.000 1.288 5 Q CA 0.301 56.105 55.803 0.002 0.000 0.925 5 Q CB 0.120 28.860 28.738 0.003 0.000 1.019 5 Q HN 0.107 8.377 8.270 -0.000 0.000 0.300 6 M N 1.301 120.900 119.600 -0.002 0.000 2.117 6 M HA -0.234 4.214 4.480 -0.054 0.000 0.262 6 M C 0.021 176.322 176.300 0.001 0.000 1.065 6 M CA 0.997 56.283 55.300 -0.023 0.000 1.114 6 M CB 0.046 32.635 32.600 -0.018 0.000 1.361 6 M HN 0.146 8.440 8.290 0.007 0.000 0.408 7 A N -0.317 122.529 122.820 0.043 0.000 2.498 7 A HA -0.031 4.355 4.320 0.110 0.000 0.239 7 A C -0.699 176.903 177.584 0.030 0.000 1.068 7 A CA 0.426 52.501 52.037 0.063 0.000 0.766 7 A CB 0.100 19.134 19.000 0.057 0.000 1.003 7 A HN -0.374 7.802 8.150 0.043 0.000 0.497 8 G N -0.131 108.689 108.800 0.032 0.000 2.498 8 G HA2 -0.022 3.944 3.960 0.011 0.000 0.301 8 G HA3 -0.022 3.938 3.960 0.000 0.000 0.301 8 G C -0.867 174.039 174.900 0.011 0.000 1.577 8 G CA -0.180 44.927 45.100 0.012 0.000 0.868 8 G HN 0.099 8.422 8.290 0.055 0.000 0.599 9 G N 0.293 109.096 108.800 0.005 0.000 2.730 9 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.686 9 G HA3 -0.224 3.735 3.960 -0.003 0.000 0.686 9 G C -1.950 172.953 174.900 0.006 0.000 1.343 9 G CA -0.604 44.497 45.100 0.002 0.000 0.826 9 G HN -0.103 8.190 8.290 0.005 0.000 0.582 10 R N -0.201 120.301 120.500 0.003 0.000 2.542 10 R HA 0.158 4.499 4.340 0.003 0.000 0.284 10 R C -1.915 174.386 176.300 0.002 0.000 1.167 10 R CA 0.281 56.383 56.100 0.003 0.000 1.000 10 R CB 0.619 30.922 30.300 0.005 0.000 1.229 10 R HN 0.097 8.368 8.270 0.001 0.000 0.416 11 A N 7.240 130.060 122.820 -0.000 0.000 2.486 11 A HA 0.046 4.370 4.320 0.006 0.000 0.120 11 A C -1.869 175.714 177.584 -0.002 0.000 1.491 11 A CA 0.437 52.475 52.037 0.002 0.000 2.442 11 A CB 0.719 19.721 19.000 0.003 0.000 2.498 11 A HN 0.185 8.333 8.150 -0.004 0.000 1.090 12 I N -0.930 119.636 120.570 -0.008 0.000 2.312 12 I HA 0.148 4.307 4.170 -0.019 0.000 0.291 12 I C -1.057 175.032 176.117 -0.047 0.000 1.031 12 I CA 0.254 61.541 61.300 -0.021 0.000 1.293 12 I CB 0.121 38.114 38.000 -0.013 0.000 1.403 12 I HN -0.243 7.964 8.210 -0.006 0.000 0.484 13 T N 5.063 119.576 114.554 -0.068 0.000 5.400 13 T HA -0.048 4.215 4.350 -0.145 0.000 0.310 13 T C -1.441 173.208 174.700 -0.085 0.000 0.919 13 T CA 0.521 62.562 62.100 -0.097 0.000 0.419 13 T CB -0.535 68.294 68.868 -0.065 0.000 0.482 13 T HN 0.234 8.439 8.240 -0.058 0.000 0.210 14 V N 1.670 121.527 119.914 -0.095 0.000 2.444 14 V HA 0.211 4.348 4.120 0.027 0.000 0.294 14 V C -1.048 175.000 176.094 -0.077 0.000 1.022 14 V CA -0.891 61.391 62.300 -0.029 0.000 0.850 14 V CB 1.211 33.047 31.823 0.020 0.000 0.992 14 V HN -0.566 7.559 8.190 -0.109 0.000 0.426 15 F N 7.939 127.869 119.950 -0.033 0.000 2.429 15 F HA 0.045 4.652 4.527 -0.098 -0.138 0.348 15 F C 0.729 176.509 175.800 -0.033 0.000 1.109 15 F CA 0.238 58.202 58.000 -0.061 0.000 1.232 15 F CB 1.118 40.082 39.000 -0.061 0.000 1.157 15 F HN 0.289 8.740 8.300 0.252 0.000 0.564 16 S N 3.940 119.705 115.700 0.108 0.000 2.614 16 S HA 0.222 4.806 4.470 0.190 0.000 0.265 16 S C -0.428 174.242 174.600 0.117 0.000 1.303 16 S CA -1.183 57.094 58.200 0.128 0.000 1.000 16 S CB -0.333 62.892 63.200 0.041 0.000 0.935 16 S HN 0.566 8.832 8.310 0.005 0.047 0.551 17 P HA -0.109 4.345 4.420 0.057 0.000 0.226 17 P C -1.436 175.891 177.300 0.046 0.000 1.146 17 P CA 1.888 65.030 63.100 0.071 0.000 0.773 17 P CB -0.270 31.473 31.700 0.072 0.000 0.772 18 D N -5.412 115.016 120.400 0.047 0.000 2.368 18 D HA -0.068 4.581 4.640 0.014 0.000 0.218 18 D C 0.637 176.935 176.300 -0.003 0.000 1.112 18 D CA -0.643 53.367 54.000 0.017 0.000 0.834 18 D CB -1.140 39.676 40.800 0.026 0.000 0.953 18 D HN -0.486 7.853 8.370 0.061 0.068 0.505 19 G N 1.466 110.284 108.800 0.030 0.000 2.289 19 G HA2 -0.526 3.542 3.960 0.179 0.000 0.280 19 G HA3 -0.526 3.438 3.960 0.007 0.000 0.280 19 G C -1.446 173.549 174.900 0.159 0.000 1.089 19 G CA 0.516 45.676 45.100 0.100 0.000 0.939 19 G HN 0.274 8.400 8.290 0.050 0.195 0.499 20 R N -2.005 118.494 120.500 -0.002 0.000 2.744 20 R HA 0.297 4.558 4.340 -0.131 0.000 0.279 20 R C -1.884 174.149 176.300 -0.445 0.000 0.977 20 R CA -1.738 54.203 56.100 -0.265 0.000 0.906 20 R CB 3.493 33.470 30.300 -0.539 0.000 1.197 20 R HN -0.008 8.307 8.270 -0.038 -0.068 0.463 21 L N 3.219 124.170 121.223 -0.454 0.000 2.288 21 L HA 0.311 4.370 4.340 -0.467 0.000 0.283 21 L C 0.482 177.105 176.870 -0.411 0.000 1.072 21 L CA -2.456 52.110 54.840 -0.457 0.000 0.862 21 L CB -2.031 39.775 42.059 -0.421 0.000 1.245 21 L HN 0.746 8.764 8.230 -0.354 0.000 0.432 22 F N 5.622 125.386 119.950 -0.309 0.000 2.126 22 F HA -0.498 3.757 4.527 -0.454 0.000 0.299 22 F C 1.610 176.953 175.800 -0.762 0.000 1.096 22 F CA 4.448 62.132 58.000 -0.528 0.000 1.255 22 F CB -0.107 38.581 39.000 -0.520 0.000 0.997 22 F HN -0.163 7.959 8.300 -0.296 0.000 0.479 23 Q N -1.154 118.466 119.800 -0.301 0.000 2.077 23 Q HA -0.374 3.845 4.340 -0.201 0.000 0.206 23 Q C 2.543 178.475 176.000 -0.113 0.000 0.989 23 Q CA 3.477 59.163 55.803 -0.193 0.000 0.853 23 Q CB -1.185 27.509 28.738 -0.072 0.000 0.907 23 Q HN 0.076 8.231 8.270 -0.191 0.000 0.418 24 V N -0.540 119.303 119.914 -0.119 0.000 2.490 24 V HA -0.387 3.727 4.120 -0.011 0.000 0.250 24 V C 1.644 177.719 176.094 -0.032 0.000 1.061 24 V CA 3.483 65.749 62.300 -0.058 0.000 1.064 24 V CB -0.474 31.301 31.823 -0.079 0.000 0.670 24 V HN -0.323 7.767 8.190 -0.166 0.000 0.461 25 E N 0.582 120.731 120.200 -0.086 0.000 2.031 25 E HA -0.335 4.028 4.350 0.021 0.000 0.193 25 E C 2.807 179.502 176.600 0.159 0.000 0.994 25 E CA 3.179 59.582 56.400 0.005 0.000 0.800 25 E CB -0.553 29.146 29.700 -0.003 0.000 0.752 25 E HN -0.542 7.598 8.360 -0.178 0.113 0.447 26 Y N -0.972 119.383 120.300 0.091 0.000 2.165 26 Y HA -0.378 4.209 4.550 0.061 0.000 0.286 26 Y C 2.187 178.111 175.900 0.040 0.000 1.155 26 Y CA 0.636 58.773 58.100 0.062 0.000 1.164 26 Y CB -1.447 37.045 38.460 0.054 0.000 0.978 26 Y HN 0.241 8.404 8.280 -0.195 0.000 0.513 27 A N -1.330 121.602 122.820 0.187 0.000 1.884 27 A HA -0.503 3.881 4.320 0.106 0.000 0.219 27 A C 1.851 179.490 177.584 0.091 0.000 1.197 27 A CA 3.187 55.290 52.037 0.110 0.000 0.637 27 A CB -0.771 18.274 19.000 0.075 0.000 0.827 27 A HN 0.467 8.710 8.150 0.160 0.003 0.450 28 R N -4.145 116.406 120.500 0.086 0.000 2.139 28 R HA -0.418 3.954 4.340 0.053 0.000 0.243 28 R C 2.603 178.944 176.300 0.070 0.000 1.145 28 R CA 3.273 59.414 56.100 0.069 0.000 0.976 28 R CB -0.487 29.851 30.300 0.064 0.000 0.866 28 R HN -0.296 7.956 8.270 0.086 0.070 0.449 29 E N -1.235 119.022 120.200 0.096 0.000 2.058 29 E HA -0.285 4.103 4.350 0.063 0.000 0.194 29 E C 1.888 178.515 176.600 0.045 0.000 0.997 29 E CA 2.633 59.077 56.400 0.073 0.000 0.801 29 E CB -0.747 29.003 29.700 0.083 0.000 0.746 29 E HN -0.278 8.041 8.360 0.135 0.122 0.450 30 A N -1.769 121.081 122.820 0.049 0.000 1.917 30 A HA -0.179 4.153 4.320 0.020 0.000 0.219 30 A C 2.834 180.431 177.584 0.021 0.000 1.182 30 A CA 2.903 54.958 52.037 0.030 0.000 0.633 30 A CB -0.920 18.101 19.000 0.035 0.000 0.819 30 A HN -0.294 7.820 8.150 0.070 0.078 0.448 31 V N -3.809 116.120 119.914 0.025 0.000 2.809 31 V HA -0.282 3.841 4.120 0.005 0.000 0.256 31 V C 0.634 176.731 176.094 0.006 0.000 1.080 31 V CA 2.227 64.534 62.300 0.012 0.000 1.102 31 V CB -0.712 31.118 31.823 0.013 0.000 0.705 31 V HN -0.634 7.469 8.190 0.036 0.108 0.475 32 K N 0.119 120.527 120.400 0.013 0.000 2.148 32 K HA -0.231 4.092 4.320 0.005 0.000 0.204 32 K C 1.951 178.553 176.600 0.003 0.000 1.050 32 K CA 3.323 59.615 56.287 0.009 0.000 0.942 32 K CB -0.316 32.195 32.500 0.018 0.000 0.724 32 K HN -0.544 7.582 8.250 0.023 0.138 0.446 33 K N -4.076 116.326 120.400 0.003 0.000 2.487 33 K HA -0.071 4.247 4.320 -0.002 0.000 0.192 33 K C 0.555 177.151 176.600 -0.006 0.000 1.027 33 K CA 0.060 56.346 56.287 -0.002 0.000 1.054 33 K CB -0.283 32.217 32.500 -0.001 0.000 0.824 33 K HN -0.772 7.463 8.250 0.008 0.019 0.510 34 G N -0.574 108.221 108.800 -0.009 0.000 2.522 34 G HA2 0.151 4.103 3.960 -0.014 0.000 0.304 34 G HA3 0.151 4.101 3.960 -0.017 0.000 0.304 34 G C -1.489 173.399 174.900 -0.021 0.000 1.210 34 G CA -1.893 43.198 45.100 -0.015 0.000 0.960 34 G HN -0.757 7.335 8.290 -0.007 0.193 0.497 35 S N -2.046 113.638 115.700 -0.026 0.000 2.580 35 S HA -0.120 4.334 4.470 -0.025 0.000 0.266 35 S C -0.292 174.285 174.600 -0.038 0.000 1.354 35 S CA 0.231 58.413 58.200 -0.030 0.000 1.008 35 S CB 0.661 63.841 63.200 -0.033 0.000 0.898 35 S HN 0.203 8.497 8.310 -0.026 0.000 0.555 36 T N 2.531 117.061 114.554 -0.039 0.000 2.837 36 T HA 0.446 4.927 4.350 -0.048 -0.161 0.285 36 T C -1.774 172.889 174.700 -0.061 0.000 0.984 36 T CA 0.162 62.234 62.100 -0.047 0.000 1.049 36 T CB 1.294 70.138 68.868 -0.040 0.000 0.947 36 T HN 0.230 8.448 8.240 -0.036 0.000 0.472 37 A N 6.837 129.613 122.820 -0.073 0.000 2.606 37 A HA 0.870 5.221 4.320 -0.084 -0.081 0.293 37 A C -3.089 174.437 177.584 -0.098 0.000 1.082 37 A CA -1.189 50.797 52.037 -0.085 0.000 0.685 37 A CB 3.459 22.406 19.000 -0.088 0.000 1.284 37 A HN 0.887 8.993 8.150 -0.073 0.000 0.408 38 L N -6.070 115.092 121.223 -0.102 0.000 2.510 38 L HA 0.572 4.885 4.340 -0.128 -0.050 0.252 38 L C -2.120 174.694 176.870 -0.093 0.000 1.091 38 L CA -1.364 53.409 54.840 -0.112 0.000 0.888 38 L CB 3.218 45.209 42.059 -0.113 0.000 1.507 38 L HN 0.887 9.058 8.230 -0.098 0.000 0.407 39 G N -4.484 104.261 108.800 -0.091 0.000 2.703 39 G HA2 0.821 4.907 3.960 -0.023 0.000 0.294 39 G HA3 0.821 4.763 3.960 -0.031 0.000 0.294 39 G C -3.294 171.581 174.900 -0.042 0.000 1.451 39 G CA 0.400 45.473 45.100 -0.044 0.000 0.869 39 G HN 0.406 8.624 8.290 -0.120 0.000 0.516 40 M N -3.615 115.999 119.600 0.024 0.000 2.414 40 M HA 0.430 4.880 4.480 -0.050 0.000 0.287 40 M C -1.979 174.393 176.300 0.120 0.000 1.181 40 M CA -0.161 55.161 55.300 0.038 0.000 0.933 40 M CB 4.233 36.887 32.600 0.091 0.000 1.732 40 M HN 0.336 8.664 8.290 0.064 0.000 0.486 41 K N 1.303 121.750 120.400 0.079 0.000 2.258 41 K HA 0.223 4.563 4.320 -0.139 -0.103 0.264 41 K C -0.179 176.537 176.600 0.194 0.000 1.007 41 K CA 1.120 57.417 56.287 0.017 0.000 0.941 41 K CB 1.088 33.593 32.500 0.009 0.000 0.966 41 K HN 0.053 8.327 8.250 0.040 0.000 0.480 42 F N -2.289 117.721 119.950 0.100 0.000 3.084 42 F HA 0.594 5.184 4.527 0.106 0.000 0.336 42 F C 0.646 176.477 175.800 0.052 0.000 1.230 42 F CA -2.666 55.384 58.000 0.083 0.000 0.993 42 F CB 1.086 40.124 39.000 0.064 0.000 1.496 42 F HN 0.576 8.480 8.300 -0.490 0.102 0.522 43 A N 2.441 125.581 122.820 0.533 0.000 1.997 43 A HA -0.403 4.028 4.320 0.185 0.000 0.237 43 A C -0.156 177.519 177.584 0.152 0.000 1.807 43 A CA 2.918 55.140 52.037 0.308 0.000 0.863 43 A CB -0.330 18.862 19.000 0.320 0.000 0.821 43 A HN 0.277 8.783 8.150 0.593 0.000 0.500 44 N N -0.345 118.440 118.700 0.143 0.000 2.571 44 N HA 0.066 4.783 4.740 -0.039 0.000 0.298 44 N C -1.387 174.015 175.510 -0.181 0.000 1.671 44 N CA -0.878 52.166 53.050 -0.011 0.000 0.900 44 N CB 0.746 39.264 38.487 0.052 0.000 1.365 44 N HN 0.046 8.644 8.380 0.363 0.000 0.493 45 G N -1.645 106.787 108.800 -0.612 0.000 2.500 45 G HA2 0.618 4.313 3.960 -0.443 0.000 0.299 45 G HA3 0.618 4.263 3.960 -0.784 -0.156 0.299 45 G C -3.669 170.455 174.900 -1.294 0.000 1.242 45 G CA 0.627 45.228 45.100 -0.832 0.000 0.859 45 G HN -0.688 7.165 8.290 -0.728 0.000 0.481 46 V N -1.406 117.897 119.914 -1.018 0.000 3.178 46 V HA 0.857 4.761 4.120 -0.576 -0.130 0.302 46 V C -3.048 173.040 176.094 -0.009 0.000 1.262 46 V CA -2.594 59.404 62.300 -0.503 0.000 1.030 46 V CB 3.972 35.685 31.823 -0.184 0.000 1.074 46 V HN 0.101 7.866 8.190 -0.708 0.000 0.438 47 L N -0.028 121.338 121.223 0.238 0.000 2.376 47 L HA 0.851 5.440 4.340 0.259 -0.093 0.258 47 L C -2.967 173.972 176.870 0.116 0.000 1.013 47 L CA -1.597 53.395 54.840 0.253 0.000 0.822 47 L CB 3.626 45.846 42.059 0.269 0.000 1.388 47 L HN 0.264 8.623 8.230 0.215 0.000 0.413 48 L N 0.010 121.273 121.223 0.067 0.000 2.354 48 L HA 0.839 5.311 4.340 -0.011 -0.139 0.269 48 L C -1.986 174.831 176.870 -0.089 0.000 1.005 48 L CA -1.208 53.629 54.840 -0.004 0.000 0.819 48 L CB 4.762 46.828 42.059 0.012 0.000 1.311 48 L HN 0.674 8.954 8.230 0.083 0.000 0.423 49 I N 3.005 123.514 120.570 -0.103 0.000 2.680 49 I HA 0.891 5.193 4.170 -0.148 -0.221 0.291 49 I C -3.046 173.006 176.117 -0.108 0.000 1.244 49 I CA -1.211 60.009 61.300 -0.133 0.000 1.042 49 I CB 4.367 42.267 38.000 -0.168 0.000 1.277 49 I HN 0.761 8.919 8.210 -0.086 0.000 0.423 50 S N 7.069 122.710 115.700 -0.099 0.000 2.548 50 S HA 0.427 4.847 4.470 -0.083 0.000 0.286 50 S C -2.047 172.511 174.600 -0.070 0.000 1.098 50 S CA -1.817 56.334 58.200 -0.083 0.000 0.930 50 S CB 2.602 65.755 63.200 -0.079 0.000 1.070 50 S HN 1.039 9.177 8.310 -0.104 0.108 0.480 51 D N 5.393 125.758 120.400 -0.059 0.000 2.336 51 D HA 0.126 4.739 4.640 -0.046 0.000 0.249 51 D C -1.038 175.239 176.300 -0.038 0.000 1.213 51 D CA -0.366 53.607 54.000 -0.046 0.000 0.870 51 D CB 0.809 41.585 40.800 -0.040 0.000 1.076 51 D HN 0.373 8.707 8.370 -0.061 0.000 0.483 52 K N 8.059 128.440 120.400 -0.033 0.000 2.206 52 K HA 0.036 4.338 4.320 -0.029 0.000 0.268 52 K C -1.455 175.134 176.600 -0.019 0.000 1.111 52 K CA -0.510 55.761 56.287 -0.026 0.000 0.955 52 K CB -0.113 32.373 32.500 -0.023 0.000 1.406 52 K HN -0.362 7.868 8.250 -0.033 0.000 0.427 53 K N 5.919 126.308 120.400 -0.018 0.000 2.267 53 K HA 0.048 4.362 4.320 -0.011 0.000 0.282 53 K C -0.744 175.849 176.600 -0.011 0.000 1.078 53 K CA -0.263 56.016 56.287 -0.013 0.000 0.903 53 K CB 0.548 33.040 32.500 -0.014 0.000 1.111 53 K HN -0.268 7.969 8.250 -0.022 0.000 0.475 54 V N 3.692 123.601 119.914 -0.008 0.000 2.713 54 V HA 0.043 4.159 4.120 -0.008 0.000 0.307 54 V C -1.009 175.082 176.094 -0.005 0.000 1.052 54 V CA -0.674 61.622 62.300 -0.006 0.000 0.967 54 V CB 1.524 33.344 31.823 -0.005 0.000 1.019 54 V HN 0.190 8.376 8.190 -0.007 0.000 0.459 55 R N 4.779 125.276 120.500 -0.005 0.000 1.747 55 R HA 0.119 4.457 4.340 -0.003 0.000 0.136 55 R C -0.322 175.977 176.300 -0.003 0.000 2.116 55 R CA 0.247 56.344 56.100 -0.004 0.000 1.739 55 R CB 0.204 30.501 30.300 -0.004 0.000 1.333 55 R HN 0.129 8.396 8.270 -0.005 0.000 0.480 56 S N -1.091 114.607 115.700 -0.003 0.000 2.584 56 S HA 0.127 4.596 4.470 -0.002 0.000 0.270 56 S C 1.736 176.335 174.600 -0.001 0.000 1.346 56 S CA -0.309 57.889 58.200 -0.002 0.000 1.018 56 S CB 0.652 63.851 63.200 -0.002 0.000 0.899 56 S HN -0.064 8.245 8.310 -0.003 0.000 0.542 57 R N 1.952 122.452 120.500 -0.001 0.000 2.193 57 R HA -0.093 4.247 4.340 0.000 0.000 0.213 57 R C 0.625 176.924 176.300 -0.000 0.000 1.055 57 R CA 1.289 57.389 56.100 -0.000 0.000 0.995 57 R CB -0.310 29.990 30.300 0.000 0.000 0.893 57 R HN 0.500 8.770 8.270 -0.001 0.000 0.459 58 L N -2.663 118.559 121.223 -0.001 0.000 2.622 58 L HA -0.044 4.296 4.340 -0.001 0.000 0.233 58 L C 0.212 177.082 176.870 -0.001 0.000 1.156 58 L CA 0.093 54.933 54.840 -0.001 0.000 0.866 58 L CB -0.671 41.388 42.059 -0.001 0.000 0.980 58 L HN -0.398 7.787 8.230 -0.001 0.044 0.448 59 I N -1.017 119.552 120.570 -0.002 0.000 2.532 59 I HA -0.042 4.127 4.170 -0.002 0.000 0.292 59 I C 1.088 177.204 176.117 -0.002 0.000 1.014 59 I CA -1.168 60.131 61.300 -0.002 0.000 1.340 59 I CB 0.265 38.263 38.000 -0.003 0.000 1.422 59 I HN -0.948 7.192 8.210 -0.002 0.070 0.528 60 E N 8.163 128.362 120.200 -0.002 0.000 2.773 60 E HA 0.002 4.351 4.350 -0.001 0.000 0.302 60 E C -0.159 176.440 176.600 -0.002 0.000 1.574 60 E CA -0.683 55.716 56.400 -0.001 0.000 1.775 60 E CB -2.028 27.671 29.700 -0.001 0.000 1.413 60 E HN 0.506 8.864 8.360 -0.003 0.000 0.471 61 Q N 0.607 120.406 119.800 -0.001 0.000 2.469 61 Q HA -0.682 3.657 4.340 -0.001 0.000 0.454 61 Q C 0.686 176.685 176.000 -0.003 0.000 0.582 61 Q CA 2.289 58.092 55.803 -0.001 0.000 0.966 61 Q CB -1.986 26.753 28.738 0.002 0.000 2.473 61 Q HN 0.231 8.404 8.270 -0.001 0.097 1.015 62 N N 1.635 120.335 118.700 -0.001 0.000 2.139 62 N HA -0.448 4.290 4.740 -0.003 0.000 0.199 62 N C 1.730 177.236 175.510 -0.007 0.000 1.003 62 N CA 2.769 55.818 53.050 -0.002 0.000 0.892 62 N CB -0.416 38.072 38.487 0.002 0.000 1.039 62 N HN 0.251 8.632 8.380 0.002 0.000 0.461 63 S N 0.510 116.206 115.700 -0.006 0.000 2.441 63 S HA -0.319 4.147 4.470 -0.008 0.000 0.242 63 S C 1.268 175.861 174.600 -0.011 0.000 1.018 63 S CA 2.925 61.121 58.200 -0.007 0.000 0.988 63 S CB 0.018 63.215 63.200 -0.005 0.000 0.778 63 S HN -0.406 7.871 8.310 -0.004 0.031 0.498 64 I N 1.356 121.919 120.570 -0.012 0.000 2.320 64 I HA -0.055 4.106 4.170 -0.016 0.000 0.283 64 I C -2.143 173.961 176.117 -0.022 0.000 1.086 64 I CA -1.490 59.800 61.300 -0.016 0.000 1.539 64 I CB -0.488 37.504 38.000 -0.014 0.000 1.504 64 I HN -0.459 7.701 8.210 -0.010 0.043 0.661 65 E N 3.894 124.080 120.200 -0.025 0.000 2.324 65 E HA -0.123 4.444 4.350 -0.032 -0.236 0.271 65 E C -0.622 175.952 176.600 -0.044 0.000 1.028 65 E CA 0.070 56.450 56.400 -0.034 0.000 0.890 65 E CB 0.136 29.815 29.700 -0.035 0.000 1.004 65 E HN -0.546 7.721 8.360 -0.022 0.080 0.431 66 K N 3.600 123.968 120.400 -0.052 0.000 2.244 66 K HA 0.050 4.335 4.320 -0.058 0.000 0.200 66 K C 0.420 176.969 176.600 -0.084 0.000 1.052 66 K CA 0.907 57.156 56.287 -0.063 0.000 0.980 66 K CB 1.332 33.796 32.500 -0.060 0.000 0.838 66 K HN 0.041 8.782 8.250 -0.050 -0.521 0.481 67 I N 0.242 120.757 120.570 -0.091 0.000 2.416 67 I HA -0.111 4.107 4.170 -0.130 -0.126 0.288 67 I C -0.593 175.450 176.117 -0.124 0.000 1.051 67 I CA 0.505 61.733 61.300 -0.119 0.000 1.375 67 I CB 0.288 38.214 38.000 -0.123 0.000 1.407 67 I HN -0.417 8.096 8.210 -0.079 -0.350 0.516 68 Q N 7.066 126.782 119.800 -0.140 0.000 2.356 68 Q HA 0.371 4.646 4.340 -0.108 0.000 0.270 68 Q C -1.479 174.434 176.000 -0.144 0.000 1.058 68 Q CA -2.006 53.725 55.803 -0.121 0.000 0.802 68 Q CB 4.025 32.712 28.738 -0.085 0.000 1.303 68 Q HN 0.842 8.913 8.270 -0.153 0.106 0.444 69 L N 3.265 124.410 121.223 -0.131 0.000 2.349 69 L HA -0.039 4.178 4.340 -0.206 0.000 0.275 69 L C 0.367 177.210 176.870 -0.045 0.000 1.115 69 L CA 0.539 55.300 54.840 -0.131 0.000 0.820 69 L CB 0.511 42.501 42.059 -0.116 0.000 1.135 69 L HN 0.636 8.803 8.230 -0.105 0.000 0.445 70 I N 1.050 121.619 120.570 -0.002 0.000 3.265 70 I HA -0.048 4.149 4.170 0.043 0.000 0.282 70 I C -0.781 175.370 176.117 0.057 0.000 1.207 70 I CA 1.263 62.595 61.300 0.053 0.000 1.449 70 I CB 1.020 39.092 38.000 0.119 0.000 1.121 70 I HN 0.623 8.827 8.210 -0.011 0.000 0.442 71 D N -2.300 118.142 120.400 0.069 0.000 2.798 71 D HA -0.026 4.657 4.640 0.072 0.000 0.265 71 D C -1.475 174.893 176.300 0.114 0.000 1.223 71 D CA -0.177 53.883 54.000 0.100 0.000 0.743 71 D CB 1.650 42.533 40.800 0.138 0.000 1.276 71 D HN -0.672 7.733 8.370 0.058 0.000 0.421 72 D N 0.368 120.821 120.400 0.088 0.000 2.322 72 D HA -0.302 4.314 4.640 -0.039 0.000 0.210 72 D C 0.950 177.140 176.300 -0.184 0.000 0.983 72 D CA 2.989 56.945 54.000 -0.074 0.000 0.902 72 D CB -0.008 40.657 40.800 -0.226 0.000 0.905 72 D HN 0.433 8.867 8.370 0.107 0.000 0.483 73 Y N -5.486 114.938 120.300 0.206 0.000 2.481 73 Y HA 0.070 4.732 4.550 0.185 0.000 0.247 73 Y C -1.492 174.592 175.900 0.307 0.000 1.151 73 Y CA -0.297 57.927 58.100 0.206 0.000 1.238 73 Y CB 1.021 39.534 38.460 0.088 0.000 1.179 73 Y HN -0.504 8.314 8.280 0.376 -0.312 0.524 74 V N -0.582 119.606 119.914 0.457 0.000 2.711 74 V HA 0.584 5.183 4.120 0.561 -0.142 0.304 74 V C -2.708 173.503 176.094 0.195 0.000 1.097 74 V CA -2.075 60.467 62.300 0.402 0.000 0.906 74 V CB 2.973 34.953 31.823 0.262 0.000 1.015 74 V HN -0.291 8.009 8.190 0.355 0.104 0.427 75 A N 7.606 130.485 122.820 0.099 0.000 2.344 75 A HA 0.976 5.297 4.320 -0.163 -0.100 0.307 75 A C -2.734 174.835 177.584 -0.024 0.000 1.151 75 A CA -2.325 49.603 52.037 -0.183 0.000 0.842 75 A CB 3.990 22.576 19.000 -0.691 0.000 1.350 75 A HN 1.075 9.424 8.150 0.331 0.000 0.459 76 A N -2.767 119.971 122.820 -0.137 0.000 2.594 76 A HA 1.119 5.490 4.320 -0.241 -0.195 0.295 76 A C -2.849 174.593 177.584 -0.236 0.000 1.071 76 A CA -1.134 50.749 52.037 -0.257 0.000 0.685 76 A CB 3.944 22.655 19.000 -0.481 0.000 1.285 76 A HN 0.603 8.652 8.150 -0.169 0.000 0.405 77 V N 0.658 120.422 119.914 -0.249 0.000 2.789 77 V HA 0.819 5.007 4.120 -0.163 -0.165 0.311 77 V C -2.026 173.950 176.094 -0.197 0.000 1.073 77 V CA -3.007 59.183 62.300 -0.183 0.000 0.921 77 V CB 3.429 35.170 31.823 -0.138 0.000 1.009 77 V HN 0.227 8.237 8.190 -0.300 0.000 0.426 78 T N 7.488 121.953 114.554 -0.149 0.000 2.907 78 T HA 0.613 4.978 4.350 -0.152 -0.107 0.290 78 T C -1.215 173.432 174.700 -0.088 0.000 1.066 78 T CA -1.935 60.088 62.100 -0.130 0.000 1.012 78 T CB 1.861 70.657 68.868 -0.121 0.000 1.184 78 T HN -0.117 8.047 8.240 -0.126 0.000 0.522 79 S N 3.226 118.884 115.700 -0.070 0.000 2.543 79 S HA 0.292 4.736 4.470 -0.044 0.000 0.273 79 S C -2.039 172.544 174.600 -0.028 0.000 1.152 79 S CA -0.005 58.167 58.200 -0.047 0.000 0.910 79 S CB 2.071 65.241 63.200 -0.049 0.000 1.105 79 S HN 0.564 8.829 8.310 -0.074 0.000 0.465 80 G N 2.978 111.768 108.800 -0.017 0.000 2.265 80 G HA2 -0.104 4.009 3.960 0.001 0.000 0.246 80 G HA3 -0.104 3.987 3.960 0.003 -0.129 0.246 80 G C -1.912 172.988 174.900 0.000 0.000 1.299 80 G CA -0.466 44.633 45.100 -0.003 0.000 1.117 80 G HN -0.025 8.253 8.290 -0.020 0.000 0.485 81 L N 2.450 123.679 121.223 0.010 0.000 2.654 81 L HA 0.105 4.447 4.340 0.003 0.000 0.271 81 L C 1.027 177.901 176.870 0.007 0.000 1.169 81 L CA -0.257 54.587 54.840 0.008 0.000 0.947 81 L CB -1.317 40.749 42.059 0.012 0.000 1.232 81 L HN 0.213 8.453 8.230 0.017 0.000 0.486 82 V N 9.097 129.011 119.914 0.000 0.000 2.324 82 V HA -0.510 3.606 4.120 -0.007 0.000 0.250 82 V C 1.005 177.102 176.094 0.006 0.000 1.060 82 V CA 4.044 66.343 62.300 -0.002 0.000 1.042 82 V CB 0.258 32.078 31.823 -0.006 0.000 0.650 82 V HN 0.437 8.626 8.190 -0.002 0.000 0.450 83 A N -1.385 121.441 122.820 0.010 0.000 1.845 83 A HA -0.214 4.115 4.320 0.016 0.000 0.215 83 A C 1.374 178.980 177.584 0.037 0.000 1.195 83 A CA 3.455 55.503 52.037 0.017 0.000 0.616 83 A CB -1.777 17.229 19.000 0.010 0.000 0.832 83 A HN 0.227 8.381 8.150 0.006 0.000 0.443 84 D N -0.867 119.560 120.400 0.045 0.000 2.133 84 D HA -0.339 4.383 4.640 0.137 0.000 0.192 84 D C 2.362 178.727 176.300 0.109 0.000 1.001 84 D CA 3.136 57.202 54.000 0.110 0.000 0.844 84 D CB -0.695 40.170 40.800 0.109 0.000 0.944 84 D HN 0.026 8.412 8.370 0.026 0.000 0.447 85 A N 0.022 122.870 122.820 0.047 0.000 1.859 85 A HA -0.422 3.895 4.320 -0.006 0.000 0.217 85 A C 1.581 179.170 177.584 0.008 0.000 1.198 85 A CA 3.285 55.326 52.037 0.007 0.000 0.629 85 A CB -0.492 18.498 19.000 -0.017 0.000 0.830 85 A HN -0.050 8.122 8.150 0.036 0.000 0.446 86 R N -1.470 119.039 120.500 0.016 0.000 2.097 86 R HA -0.380 3.964 4.340 0.007 0.000 0.236 86 R C 1.839 178.165 176.300 0.044 0.000 1.135 86 R CA 3.344 59.456 56.100 0.021 0.000 0.934 86 R CB 0.029 30.341 30.300 0.020 0.000 0.846 86 R HN -0.589 7.690 8.270 0.016 0.000 0.431 87 V N -0.512 119.441 119.914 0.066 0.000 2.380 87 V HA -0.336 3.838 4.120 0.090 0.000 0.251 87 V C 1.487 177.637 176.094 0.094 0.000 1.063 87 V CA 3.209 65.567 62.300 0.096 0.000 1.055 87 V CB -0.470 31.431 31.823 0.130 0.000 0.657 87 V HN -0.409 7.820 8.190 0.064 0.000 0.455 88 L N -0.122 121.123 121.223 0.037 0.000 2.056 88 L HA -0.301 3.954 4.340 -0.142 0.000 0.207 88 L C 2.162 179.086 176.870 0.089 0.000 1.078 88 L CA 3.311 58.122 54.840 -0.048 0.000 0.749 88 L CB -0.464 41.502 42.059 -0.156 0.000 0.901 88 L HN -0.377 7.877 8.230 0.047 0.005 0.433 89 V N 0.362 120.313 119.914 0.062 0.000 2.255 89 V HA -0.585 3.597 4.120 0.104 0.000 0.247 89 V C 2.353 178.512 176.094 0.107 0.000 1.051 89 V CA 4.449 66.795 62.300 0.076 0.000 1.018 89 V CB -1.329 30.504 31.823 0.016 0.000 0.641 89 V HN 0.288 8.419 8.190 0.030 0.076 0.445 90 D N -0.577 119.877 120.400 0.091 0.000 2.149 90 D HA -0.334 4.336 4.640 0.049 0.000 0.198 90 D C 2.106 178.461 176.300 0.092 0.000 0.990 90 D CA 3.559 57.605 54.000 0.077 0.000 0.839 90 D CB -0.449 40.391 40.800 0.068 0.000 0.948 90 D HN -0.212 8.205 8.370 0.078 0.000 0.460 91 F N 0.850 120.803 119.950 0.005 0.000 2.069 91 F HA -0.461 4.067 4.527 0.002 0.000 0.298 91 F C 0.704 176.506 175.800 0.004 0.000 1.113 91 F CA 3.629 61.627 58.000 -0.003 0.000 1.214 91 F CB -0.026 38.954 39.000 -0.034 0.000 0.978 91 F HN -0.517 7.867 8.300 0.267 0.076 0.474 92 A N -0.507 122.453 122.820 0.233 0.000 1.917 92 A HA -0.511 3.882 4.320 0.121 0.000 0.219 92 A C 1.979 179.560 177.584 -0.005 0.000 1.182 92 A CA 3.358 55.481 52.037 0.143 0.000 0.633 92 A CB -0.810 18.375 19.000 0.308 0.000 0.819 92 A HN 0.308 8.611 8.150 0.355 0.060 0.448 93 R N -1.763 118.744 120.500 0.013 0.000 2.070 93 R HA -0.314 4.031 4.340 0.009 0.000 0.232 93 R C 2.672 178.929 176.300 -0.070 0.000 1.138 93 R CA 3.601 59.693 56.100 -0.012 0.000 0.936 93 R CB 0.173 30.477 30.300 0.007 0.000 0.839 93 R HN -0.141 8.083 8.270 0.057 0.081 0.429 94 I N -2.647 117.852 120.570 -0.118 0.000 2.286 94 I HA -0.448 3.667 4.170 -0.092 0.000 0.248 94 I C 1.400 177.396 176.117 -0.202 0.000 1.115 94 I CA 3.804 65.017 61.300 -0.145 0.000 1.392 94 I CB -0.372 37.535 38.000 -0.154 0.000 1.065 94 I HN 0.113 8.259 8.210 -0.107 0.000 0.418 95 S N 0.917 116.420 115.700 -0.330 0.000 2.359 95 S HA -0.471 3.805 4.470 -0.322 0.000 0.224 95 S C 2.049 176.552 174.600 -0.161 0.000 1.035 95 S CA 3.672 61.676 58.200 -0.327 0.000 1.018 95 S CB -0.210 62.707 63.200 -0.471 0.000 0.876 95 S HN 0.159 8.214 8.310 -0.416 0.005 0.448 96 A N 0.910 123.661 122.820 -0.115 0.000 1.908 96 A HA -0.405 3.880 4.320 -0.058 0.000 0.218 96 A C 2.159 179.721 177.584 -0.036 0.000 1.181 96 A CA 3.172 55.175 52.037 -0.057 0.000 0.627 96 A CB -0.709 18.278 19.000 -0.021 0.000 0.818 96 A HN 0.080 8.080 8.150 -0.123 0.076 0.445 97 Q N -2.175 117.598 119.800 -0.044 0.000 2.079 97 Q HA -0.347 3.986 4.340 -0.012 0.000 0.200 97 Q C 2.730 178.706 176.000 -0.039 0.000 0.974 97 Q CA 2.595 58.380 55.803 -0.031 0.000 0.840 97 Q CB -0.693 28.024 28.738 -0.034 0.000 0.898 97 Q HN -0.362 7.873 8.270 -0.058 0.000 0.430 98 Q N -0.251 119.510 119.800 -0.064 0.000 2.045 98 Q HA -0.431 3.871 4.340 -0.063 0.000 0.206 98 Q C 2.152 178.130 176.000 -0.037 0.000 0.991 98 Q CA 3.485 59.250 55.803 -0.064 0.000 0.851 98 Q CB -0.272 28.412 28.738 -0.090 0.000 0.911 98 Q HN 0.239 8.386 8.270 -0.088 0.071 0.418 99 E N -0.469 119.727 120.200 -0.006 0.000 2.058 99 E HA -0.396 4.021 4.350 0.112 0.000 0.194 99 E C 2.135 178.783 176.600 0.079 0.000 0.997 99 E CA 3.130 59.578 56.400 0.080 0.000 0.801 99 E CB -0.258 29.499 29.700 0.095 0.000 0.746 99 E HN -0.371 7.972 8.360 -0.028 0.000 0.450 100 K N -1.064 119.357 120.400 0.035 0.000 2.063 100 K HA -0.376 3.973 4.320 0.048 0.000 0.208 100 K C 2.513 179.117 176.600 0.007 0.000 1.048 100 K CA 3.120 59.424 56.287 0.029 0.000 0.928 100 K CB 0.001 32.510 32.500 0.015 0.000 0.713 100 K HN -0.593 7.666 8.250 0.016 0.000 0.442 101 V N -2.475 117.428 119.914 -0.018 0.000 2.809 101 V HA -0.282 3.823 4.120 -0.025 0.000 0.256 101 V C 1.414 177.465 176.094 -0.072 0.000 1.080 101 V CA 3.131 65.409 62.300 -0.037 0.000 1.102 101 V CB 0.361 32.160 31.823 -0.040 0.000 0.705 101 V HN -0.003 8.175 8.190 -0.020 0.000 0.475 102 T N 0.197 114.681 114.554 -0.116 0.000 2.953 102 T HA -0.127 4.104 4.350 -0.198 0.000 0.247 102 T C 1.279 175.784 174.700 -0.325 0.000 1.029 102 T CA 2.540 64.490 62.100 -0.250 0.000 1.144 102 T CB 0.814 69.460 68.868 -0.369 0.000 0.870 102 T HN -0.496 7.573 8.240 -0.087 0.120 0.446 103 Y N -0.921 119.362 120.300 -0.030 0.000 2.510 103 Y HA 0.065 4.599 4.550 -0.026 0.000 0.273 103 Y C 0.683 176.565 175.900 -0.029 0.000 1.119 103 Y CA 0.907 58.989 58.100 -0.029 0.000 1.286 103 Y CB 0.642 39.081 38.460 -0.034 0.000 1.061 103 Y HN 0.218 8.463 8.280 -0.059 0.000 0.542 104 G N -2.198 106.647 108.800 0.076 0.000 2.225 104 G HA2 -0.416 3.614 3.960 0.018 0.000 0.254 104 G HA3 -0.416 3.568 3.960 0.039 0.000 0.254 104 G C -0.690 174.233 174.900 0.039 0.000 0.988 104 G CA 0.025 45.150 45.100 0.042 0.000 0.625 104 G HN -0.233 7.956 8.290 0.042 0.126 0.527 105 S N -1.568 114.170 115.700 0.063 0.000 2.579 105 S HA 0.037 4.507 4.470 0.001 0.000 0.290 105 S C -1.747 172.860 174.600 0.010 0.000 1.123 105 S CA -0.449 57.761 58.200 0.015 0.000 0.894 105 S CB 1.432 64.621 63.200 -0.018 0.000 1.095 105 S HN -0.446 7.855 8.310 0.126 0.085 0.450 106 L N 8.498 129.711 121.223 -0.016 0.000 2.462 106 L HA 0.151 4.657 4.340 -0.023 -0.179 0.283 106 L C -0.906 175.923 176.870 -0.068 0.000 1.166 106 L CA -0.365 54.455 54.840 -0.032 0.000 0.964 106 L CB -1.257 40.788 42.059 -0.023 0.000 1.294 106 L HN 0.480 8.694 8.230 -0.026 0.000 0.449 107 V N 5.627 125.487 119.914 -0.090 0.000 2.323 107 V HA -0.171 3.896 4.120 -0.089 0.000 0.244 107 V C -1.234 174.804 176.094 -0.093 0.000 1.041 107 V CA 1.963 64.203 62.300 -0.100 0.000 1.025 107 V CB 0.649 32.394 31.823 -0.129 0.000 0.656 107 V HN -0.286 7.952 8.190 -0.096 -0.106 0.451 108 N N -3.422 115.213 118.700 -0.109 0.000 2.483 108 N HA 0.221 5.143 4.740 -0.069 -0.223 0.267 108 N C 0.894 176.328 175.510 -0.127 0.000 0.998 108 N CA -1.974 51.018 53.050 -0.098 0.000 0.918 108 N CB 0.550 38.978 38.487 -0.098 0.000 1.215 108 N HN -0.656 7.646 8.380 -0.130 0.000 0.500 109 I N 6.960 127.461 120.570 -0.115 0.000 2.335 109 I HA -0.480 3.596 4.170 -0.157 0.000 0.251 109 I C 0.233 176.125 176.117 -0.375 0.000 1.129 109 I CA 2.821 64.016 61.300 -0.176 0.000 1.402 109 I CB 0.289 38.241 38.000 -0.080 0.000 1.069 109 I HN -0.057 8.354 8.210 -0.067 -0.241 0.424 110 E N 0.096 120.042 120.200 -0.423 0.000 2.130 110 E HA -0.521 2.988 4.350 -1.401 0.000 0.196 110 E C 1.880 178.211 176.600 -0.448 0.000 0.998 110 E CA 3.648 59.641 56.400 -0.679 0.000 0.806 110 E CB -0.519 29.000 29.700 -0.301 0.000 0.738 110 E HN 0.364 8.871 8.360 -0.241 -0.292 0.459 111 N N -0.591 117.941 118.700 -0.280 0.000 2.084 111 N HA -0.267 4.368 4.740 -0.176 0.000 0.190 111 N C 2.145 177.517 175.510 -0.229 0.000 1.030 111 N CA 3.213 56.140 53.050 -0.205 0.000 0.849 111 N CB 0.012 38.411 38.487 -0.147 0.000 1.012 111 N HN -0.454 7.657 8.380 -0.240 0.125 0.423 112 L N 0.111 121.174 121.223 -0.266 0.000 1.978 112 L HA -0.311 3.915 4.340 -0.191 0.000 0.218 112 L C 1.446 178.073 176.870 -0.404 0.000 1.075 112 L CA 3.062 57.732 54.840 -0.284 0.000 0.767 112 L CB -0.449 41.432 42.059 -0.297 0.000 0.890 112 L HN -0.708 7.278 8.230 -0.263 0.086 0.434 113 V N -1.654 117.880 119.914 -0.633 0.000 2.490 113 V HA -0.558 2.972 4.120 -0.984 0.000 0.250 113 V C 1.201 177.090 176.094 -0.341 0.000 1.061 113 V CA 4.162 66.016 62.300 -0.745 0.000 1.064 113 V CB -0.180 31.128 31.823 -0.859 0.000 0.670 113 V HN -0.568 7.238 8.190 -0.639 0.000 0.461 114 K N -0.637 119.603 120.400 -0.267 0.000 2.103 114 K HA -0.402 3.860 4.320 -0.096 0.000 0.207 114 K C 2.371 178.932 176.600 -0.065 0.000 1.048 114 K CA 4.096 60.305 56.287 -0.130 0.000 0.930 114 K CB -0.422 32.014 32.500 -0.108 0.000 0.716 114 K HN -0.100 7.876 8.250 -0.334 0.073 0.444 115 R N -0.972 119.495 120.500 -0.055 0.000 2.073 115 R HA -0.245 4.129 4.340 0.057 0.000 0.229 115 R C 2.300 178.675 176.300 0.126 0.000 1.120 115 R CA 3.257 59.390 56.100 0.055 0.000 0.967 115 R CB 0.005 30.353 30.300 0.080 0.000 0.862 115 R HN -0.231 7.883 8.270 -0.111 0.090 0.436 116 V N -0.172 119.798 119.914 0.094 0.000 2.358 116 V HA -0.418 3.734 4.120 0.054 0.000 0.246 116 V C 0.827 176.868 176.094 -0.089 0.000 1.047 116 V CA 3.850 66.184 62.300 0.057 0.000 1.035 116 V CB 0.060 31.971 31.823 0.148 0.000 0.658 116 V HN -0.453 7.735 8.190 -0.004 0.000 0.452 117 A N -0.610 122.187 122.820 -0.039 0.000 1.902 117 A HA -0.313 3.992 4.320 -0.026 0.000 0.217 117 A C 1.556 179.125 177.584 -0.026 0.000 1.181 117 A CA 3.020 55.044 52.037 -0.023 0.000 0.623 117 A CB -0.816 18.189 19.000 0.009 0.000 0.818 117 A HN 0.191 8.314 8.150 -0.045 0.000 0.443 118 D N -2.043 118.351 120.400 -0.009 0.000 2.178 118 D HA -0.327 4.336 4.640 0.039 0.000 0.201 118 D C 2.382 178.688 176.300 0.009 0.000 0.980 118 D CA 3.321 57.334 54.000 0.022 0.000 0.842 118 D CB -0.854 39.971 40.800 0.043 0.000 0.948 118 D HN -0.253 8.113 8.370 -0.006 0.000 0.472 119 Q N -0.280 119.459 119.800 -0.101 0.000 2.002 119 Q HA -0.308 3.976 4.340 -0.095 0.000 0.204 119 Q C 2.491 178.430 176.000 -0.103 0.000 0.988 119 Q CA 2.880 58.550 55.803 -0.221 0.000 0.843 119 Q CB -0.148 28.145 28.738 -0.741 0.000 0.908 119 Q HN -0.516 7.599 8.270 -0.109 0.089 0.420 120 M N -1.205 118.269 119.600 -0.209 0.000 2.080 120 M HA -0.386 4.016 4.480 -0.129 0.000 0.260 120 M C 2.630 179.010 176.300 0.133 0.000 1.068 120 M CA 3.738 58.985 55.300 -0.088 0.000 1.109 120 M CB -0.185 32.339 32.600 -0.127 0.000 1.342 120 M HN -0.348 7.784 8.290 -0.264 0.000 0.405 121 Q N -0.244 119.613 119.800 0.094 0.000 2.152 121 Q HA -0.366 4.029 4.340 0.092 0.000 0.206 121 Q C 2.914 179.023 176.000 0.181 0.000 0.985 121 Q CA 3.064 58.935 55.803 0.113 0.000 0.863 121 Q CB -0.577 28.209 28.738 0.079 0.000 0.904 121 Q HN 0.214 8.508 8.270 0.040 0.000 0.422 122 Q N -0.729 119.233 119.800 0.270 0.000 2.135 122 Q HA -0.316 4.239 4.340 0.357 0.000 0.204 122 Q C 2.164 178.360 176.000 0.328 0.000 0.981 122 Q CA 3.170 59.188 55.803 0.357 0.000 0.856 122 Q CB -0.038 28.903 28.738 0.339 0.000 0.902 122 Q HN -0.328 8.075 8.270 0.240 0.011 0.425 123 Y N -6.250 114.146 120.300 0.160 0.000 2.616 123 Y HA -0.113 4.516 4.550 0.131 0.000 0.296 123 Y C 1.027 176.961 175.900 0.056 0.000 1.154 123 Y CA 1.306 59.479 58.100 0.122 0.000 1.325 123 Y CB -0.628 37.913 38.460 0.135 0.000 1.007 123 Y HN -0.527 8.140 8.280 0.812 0.100 0.542 124 T N -3.112 111.543 114.554 0.169 0.000 3.055 124 T HA -0.115 4.253 4.350 0.029 0.000 0.265 124 T C -0.159 174.507 174.700 -0.056 0.000 1.111 124 T CA 2.435 64.558 62.100 0.038 0.000 1.118 124 T CB 0.716 69.596 68.868 0.021 0.000 0.909 124 T HN -0.123 8.032 8.240 0.208 0.209 0.501 125 Q N -1.203 118.554 119.800 -0.071 0.000 2.123 125 Q HA 0.097 4.336 4.340 -0.168 0.000 0.244 125 Q C 1.459 177.297 176.000 -0.271 0.000 0.769 125 Q CA 0.440 56.125 55.803 -0.197 0.000 0.938 125 Q CB 1.838 30.422 28.738 -0.257 0.000 1.170 125 Q HN -0.603 7.524 8.270 -0.005 0.139 0.469 126 Y N 3.459 123.712 120.300 -0.078 0.000 3.028 126 Y HA -0.223 4.287 4.550 -0.068 0.000 0.381 126 Y C 0.093 175.930 175.900 -0.105 0.000 1.139 126 Y CA 0.988 59.026 58.100 -0.102 0.000 2.013 126 Y CB -2.335 36.034 38.460 -0.152 0.000 2.146 126 Y HN -0.289 7.995 8.280 0.007 0.000 0.412 127 G N 0.515 109.314 108.800 -0.002 0.000 2.627 127 G HA2 -0.396 3.553 3.960 -0.018 0.000 0.312 127 G HA3 -0.396 3.574 3.960 0.017 0.000 0.312 127 G C 0.496 175.390 174.900 -0.010 0.000 1.299 127 G CA -0.198 44.901 45.100 -0.001 0.000 0.989 127 G HN -0.305 7.866 8.290 -0.064 0.081 0.547 128 G N 1.197 109.992 108.800 -0.008 0.000 2.529 128 G HA2 -0.233 3.721 3.960 -0.010 0.000 0.285 128 G HA3 -0.233 3.719 3.960 -0.013 0.000 0.285 128 G C -0.840 174.040 174.900 -0.032 0.000 0.632 128 G CA 1.075 46.165 45.100 -0.016 0.000 2.116 128 G HN 0.142 8.339 8.290 0.000 0.094 0.538 129 V N 0.090 119.988 119.914 -0.027 0.000 2.971 129 V HA 0.015 4.132 4.120 -0.006 0.000 0.281 129 V C -2.739 173.374 176.094 0.032 0.000 1.470 129 V CA -0.915 61.375 62.300 -0.018 0.000 0.966 129 V CB 3.136 34.892 31.823 -0.113 0.000 1.156 129 V HN -0.521 7.625 8.190 -0.018 0.033 0.441 130 R N 7.567 128.090 120.500 0.039 0.000 2.390 130 R HA 0.284 4.646 4.340 0.037 0.000 0.291 130 R C -2.003 174.323 176.300 0.045 0.000 1.070 130 R CA -1.814 54.305 56.100 0.032 0.000 1.014 130 R CB 0.464 30.763 30.300 -0.001 0.000 1.007 130 R HN 0.167 8.451 8.270 0.024 0.000 0.466 131 P HA -0.055 4.482 4.420 0.194 0.000 0.269 131 P C -1.330 175.944 177.300 -0.043 0.000 1.217 131 P CA -0.111 63.037 63.100 0.080 0.000 0.783 131 P CB 0.574 32.324 31.700 0.084 0.000 0.898 132 Y N -0.782 119.475 120.300 -0.072 0.000 2.436 132 Y HA -0.088 4.560 4.550 -0.097 -0.157 0.336 132 Y C 1.585 177.458 175.900 -0.046 0.000 1.049 132 Y CA 0.952 58.989 58.100 -0.105 0.000 1.294 132 Y CB 0.228 38.576 38.460 -0.186 0.000 1.179 132 Y HN 0.210 8.631 8.280 0.234 0.000 0.520 133 G N 5.778 114.624 108.800 0.077 0.000 3.343 133 G HA2 0.050 4.049 3.960 0.065 0.000 0.264 133 G HA3 0.050 4.036 3.960 0.043 0.000 0.264 133 G C -2.624 172.308 174.900 0.054 0.000 0.884 133 G CA -0.120 45.015 45.100 0.060 0.000 1.916 133 G HN 0.850 9.480 8.290 0.036 -0.318 0.618 134 V N 1.691 121.639 119.914 0.058 0.000 3.204 134 V HA 0.826 5.086 4.120 0.015 -0.131 0.298 134 V C -3.137 172.963 176.094 0.010 0.000 1.328 134 V CA -2.082 60.233 62.300 0.026 0.000 1.035 134 V CB 3.765 35.602 31.823 0.023 0.000 1.095 134 V HN -0.577 7.615 8.190 0.073 0.042 0.442 135 S N 3.273 118.965 115.700 -0.013 0.000 2.571 135 S HA 0.750 5.353 4.470 -0.005 -0.136 0.284 135 S C -1.650 172.912 174.600 -0.064 0.000 1.128 135 S CA -0.942 57.245 58.200 -0.021 0.000 0.970 135 S CB 2.269 65.462 63.200 -0.011 0.000 1.039 135 S HN 0.451 8.748 8.310 -0.021 0.000 0.485 136 L N -0.991 120.179 121.223 -0.088 0.000 2.376 136 L HA 0.872 5.205 4.340 -0.182 -0.102 0.258 136 L C -1.934 174.809 176.870 -0.211 0.000 1.013 136 L CA -1.388 53.330 54.840 -0.202 0.000 0.822 136 L CB 3.478 45.335 42.059 -0.338 0.000 1.388 136 L HN 0.756 8.963 8.230 -0.038 0.000 0.413 137 I N -6.860 113.538 120.570 -0.286 0.000 2.498 137 I HA 0.677 4.957 4.170 0.013 -0.102 0.290 137 I C -1.953 174.017 176.117 -0.244 0.000 1.032 137 I CA -1.735 59.476 61.300 -0.148 0.000 1.073 137 I CB 3.162 41.115 38.000 -0.079 0.000 1.251 137 I HN 0.367 8.388 8.210 -0.315 0.000 0.426 138 F N 5.547 125.561 119.950 0.106 0.000 2.443 138 F HA 0.727 5.454 4.527 0.072 -0.157 0.335 138 F C -0.976 174.931 175.800 0.179 0.000 1.104 138 F CA -2.104 55.964 58.000 0.114 0.000 1.013 138 F CB 3.107 42.161 39.000 0.090 0.000 1.136 138 F HN 0.413 8.880 8.300 0.452 0.103 0.470 139 A N 0.703 123.731 122.820 0.346 0.000 2.549 139 A HA 1.141 5.863 4.320 0.320 -0.210 0.297 139 A C -1.929 175.870 177.584 0.358 0.000 1.061 139 A CA -1.454 50.767 52.037 0.308 0.000 0.690 139 A CB 4.085 23.222 19.000 0.228 0.000 1.287 139 A HN 0.693 9.032 8.150 0.314 0.000 0.402 140 G N -0.716 108.242 108.800 0.264 0.000 2.321 140 G HA2 0.269 4.297 3.960 0.113 0.000 0.298 140 G HA3 0.269 4.535 3.960 0.320 -0.114 0.298 140 G C -3.307 171.657 174.900 0.106 0.000 1.385 140 G CA 0.723 45.954 45.100 0.218 0.000 0.856 140 G HN 0.138 8.554 8.290 0.210 0.000 0.584 141 I N 1.163 121.772 120.570 0.065 0.000 2.377 141 I HA 0.702 5.046 4.170 0.033 -0.154 0.293 141 I C -2.262 173.892 176.117 0.060 0.000 0.987 141 I CA -2.939 58.385 61.300 0.041 0.000 1.185 141 I CB 2.102 40.099 38.000 -0.004 0.000 1.341 141 I HN -0.332 7.933 8.210 0.091 0.000 0.455 142 D N 8.524 128.943 120.400 0.033 0.000 2.668 142 D HA 0.223 4.850 4.640 -0.021 0.000 0.249 142 D C -0.671 175.612 176.300 -0.028 0.000 1.150 142 D CA -1.676 52.323 54.000 -0.002 0.000 1.090 142 D CB 1.862 42.665 40.800 0.005 0.000 1.244 142 D HN 0.353 8.649 8.370 0.038 0.096 0.636 143 Q N -0.711 119.062 119.800 -0.044 0.000 2.181 143 Q HA -0.236 4.071 4.340 -0.056 0.000 0.205 143 Q C 1.713 177.696 176.000 -0.027 0.000 0.980 143 Q CA 2.211 57.986 55.803 -0.047 0.000 0.862 143 Q CB -0.120 28.584 28.738 -0.057 0.000 0.905 143 Q HN -0.041 8.198 8.270 -0.051 0.000 0.429 144 I N -3.891 116.672 120.570 -0.012 0.000 2.617 144 I HA -0.209 3.957 4.170 -0.008 0.000 0.256 144 I C 0.278 176.396 176.117 0.002 0.000 1.167 144 I CA 0.863 62.163 61.300 -0.000 0.000 1.469 144 I CB 0.727 38.738 38.000 0.018 0.000 1.098 144 I HN -0.130 8.365 8.210 -0.010 -0.290 0.436 145 G N -2.956 105.846 108.800 0.004 0.000 2.302 145 G HA2 -0.121 3.832 3.960 -0.012 0.000 0.276 145 G HA3 -0.121 3.835 3.960 -0.008 0.000 0.276 145 G C -3.308 171.592 174.900 0.000 0.000 1.316 145 G CA -0.400 44.697 45.100 -0.005 0.000 0.988 145 G HN -0.505 7.930 8.290 0.007 -0.141 0.479 146 P HA -0.002 4.395 4.420 -0.039 0.000 0.268 146 P C -1.799 175.507 177.300 0.010 0.000 1.204 146 P CA 0.369 63.442 63.100 -0.044 0.000 0.768 146 P CB 0.219 31.841 31.700 -0.131 0.000 0.842 147 R N 0.020 120.566 120.500 0.076 0.000 2.725 147 R HA 0.439 4.811 4.340 0.054 0.000 0.277 147 R C -2.074 174.346 176.300 0.200 0.000 0.987 147 R CA -1.368 54.829 56.100 0.161 0.000 0.901 147 R CB 4.756 35.282 30.300 0.377 0.000 1.207 147 R HN 0.818 9.031 8.270 0.082 0.105 0.463 148 L N 1.714 122.971 121.223 0.056 0.000 2.470 148 L HA 0.793 5.472 4.340 0.274 -0.174 0.268 148 L C -2.289 174.538 176.870 -0.071 0.000 0.964 148 L CA -0.471 54.432 54.840 0.105 0.000 0.839 148 L CB 3.636 45.708 42.059 0.022 0.000 1.276 148 L HN -0.160 8.115 8.230 -0.196 -0.163 0.403 149 F N 4.810 124.877 119.950 0.194 0.000 2.613 149 F HA 1.028 5.923 4.527 0.274 -0.203 0.314 149 F C -1.376 174.566 175.800 0.238 0.000 1.075 149 F CA -1.960 56.182 58.000 0.237 0.000 0.945 149 F CB 4.732 43.850 39.000 0.196 0.000 1.310 149 F HN 1.018 9.648 8.300 0.549 0.000 0.467 150 D N -0.758 119.891 120.400 0.416 0.000 2.477 150 D HA 0.572 5.438 4.640 0.183 -0.116 0.234 150 D C -1.751 174.712 176.300 0.271 0.000 1.048 150 D CA -1.820 52.321 54.000 0.234 0.000 0.959 150 D CB 3.773 44.593 40.800 0.032 0.000 1.408 150 D HN 0.305 8.963 8.370 0.481 0.000 0.496 151 C N -0.422 118.985 119.300 0.178 0.000 2.701 151 C HA 0.780 5.583 4.460 0.172 -0.240 0.336 151 C C -2.020 173.022 174.990 0.086 0.000 1.123 151 C CA -1.918 57.199 59.018 0.164 0.000 1.326 151 C CB 3.324 31.206 27.740 0.237 0.000 1.833 151 C HN 0.668 8.960 8.230 0.103 0.000 0.473 152 D N 6.506 126.952 120.400 0.076 0.000 2.392 152 D HA 0.683 5.345 4.640 0.036 0.000 0.246 152 D C -1.345 174.981 176.300 0.043 0.000 1.013 152 D CA -2.919 51.111 54.000 0.050 0.000 0.993 152 D CB -0.192 40.639 40.800 0.052 0.000 1.219 152 D HN -0.093 8.332 8.370 0.091 0.000 0.538 153 P HA -0.162 4.291 4.420 0.055 0.000 0.222 153 P C -0.740 176.589 177.300 0.048 0.000 1.142 153 P CA 1.800 64.930 63.100 0.050 0.000 0.788 153 P CB 0.065 31.798 31.700 0.054 0.000 0.767 154 A N -7.141 115.702 122.820 0.038 0.000 2.169 154 A HA -0.018 4.316 4.320 0.024 0.000 0.212 154 A C 0.427 178.033 177.584 0.037 0.000 1.153 154 A CA 0.089 52.143 52.037 0.029 0.000 0.756 154 A CB 0.182 19.192 19.000 0.017 0.000 0.813 154 A HN -0.210 8.185 8.150 0.038 -0.222 0.471 155 G N -2.809 106.016 108.800 0.042 0.000 2.159 155 G HA2 -0.323 3.656 3.960 0.033 0.000 0.227 155 G HA3 -0.323 3.661 3.960 0.041 0.000 0.227 155 G C -0.128 174.804 174.900 0.053 0.000 0.986 155 G CA -0.037 45.088 45.100 0.041 0.000 0.651 155 G HN 0.065 8.296 8.290 0.043 0.085 0.523 156 T N 3.230 117.821 114.554 0.061 0.000 2.884 156 T HA 0.037 4.426 4.350 0.065 0.000 0.298 156 T C -1.410 173.354 174.700 0.107 0.000 0.998 156 T CA 1.896 64.040 62.100 0.073 0.000 1.124 156 T CB 0.998 69.907 68.868 0.067 0.000 0.931 156 T HN -0.081 8.425 8.240 0.056 -0.232 0.531 157 I N 4.716 125.357 120.570 0.118 0.000 2.647 157 I HA 0.728 5.238 4.170 0.217 -0.210 0.295 157 I C -2.430 173.797 176.117 0.182 0.000 1.078 157 I CA -2.385 59.022 61.300 0.180 0.000 1.048 157 I CB 3.788 41.885 38.000 0.162 0.000 1.239 157 I HN 0.201 8.468 8.210 0.095 0.000 0.421 158 N N 7.111 125.954 118.700 0.239 0.000 2.484 158 N HA 0.235 4.997 4.740 0.037 0.000 0.269 158 N C -2.779 172.731 175.510 -0.001 0.000 1.237 158 N CA -0.524 52.569 53.050 0.072 0.000 0.838 158 N CB 3.807 42.243 38.487 -0.086 0.000 1.593 158 N HN 0.006 8.684 8.380 0.327 -0.102 0.485 159 E N 0.418 120.422 120.200 -0.327 0.000 2.175 159 E HA 0.505 4.629 4.350 -0.698 -0.192 0.278 159 E C -1.165 175.161 176.600 -0.457 0.000 0.969 159 E CA -1.089 54.945 56.400 -0.611 0.000 0.796 159 E CB 1.886 31.054 29.700 -0.885 0.000 1.104 159 E HN 0.180 8.364 8.360 -0.293 0.000 0.395 160 Y N 4.877 124.997 120.300 -0.300 0.000 2.621 160 Y HA 0.132 4.581 4.550 -0.168 0.000 0.334 160 Y C -0.551 175.231 175.900 -0.197 0.000 1.074 160 Y CA -0.458 57.522 58.100 -0.199 0.000 1.149 160 Y CB 2.050 40.415 38.460 -0.158 0.000 1.302 160 Y HN 0.088 8.329 8.280 -0.065 0.000 0.501 161 K N -0.803 119.594 120.400 -0.004 0.000 2.334 161 K HA -0.074 4.219 4.320 -0.044 0.000 0.195 161 K C -1.054 175.396 176.600 -0.249 0.000 1.045 161 K CA 0.765 56.997 56.287 -0.092 0.000 1.004 161 K CB 0.877 33.331 32.500 -0.076 0.000 0.837 161 K HN 0.331 8.600 8.250 0.031 0.000 0.510 162 A N -4.664 118.015 122.820 -0.235 0.000 2.590 162 A HA 0.537 4.889 4.320 -0.213 -0.160 0.294 162 A C -1.850 175.610 177.584 -0.206 0.000 1.046 162 A CA -0.231 51.619 52.037 -0.312 0.000 0.684 162 A CB 1.769 20.352 19.000 -0.695 0.000 1.279 162 A HN -0.792 7.294 8.150 -0.058 0.029 0.415 163 T N -0.800 113.603 114.554 -0.253 0.000 2.636 163 T HA 0.196 4.390 4.350 -0.259 0.000 0.298 163 T C -2.621 171.917 174.700 -0.270 0.000 1.849 163 T CA -0.155 61.732 62.100 -0.355 0.000 0.963 163 T CB 1.335 69.654 68.868 -0.914 0.000 1.907 163 T HN 0.556 8.669 8.240 -0.212 0.000 0.496 164 A N -0.551 122.112 122.820 -0.262 0.000 2.535 164 A HA 0.328 4.598 4.320 -0.169 -0.051 0.296 164 A C -3.169 174.315 177.584 -0.168 0.000 1.248 164 A CA -0.990 50.940 52.037 -0.178 0.000 0.686 164 A CB 2.914 21.840 19.000 -0.123 0.000 1.315 164 A HN 0.077 8.042 8.150 -0.309 0.000 0.460 165 I N -2.216 118.284 120.570 -0.118 0.000 3.033 165 I HA 0.196 4.316 4.170 -0.083 0.000 0.306 165 I C -1.666 174.411 176.117 -0.067 0.000 1.473 165 I CA -1.324 59.921 61.300 -0.092 0.000 0.951 165 I CB 4.142 42.082 38.000 -0.099 0.000 1.338 165 I HN 0.683 8.830 8.210 -0.106 0.000 0.518 166 G N 2.477 111.248 108.800 -0.049 0.000 2.451 166 G HA2 -0.353 3.719 3.960 -0.032 0.000 0.208 166 G HA3 -0.353 3.784 3.960 -0.043 -0.203 0.208 166 G C 0.020 174.905 174.900 -0.025 0.000 1.248 166 G CA 0.124 45.201 45.100 -0.037 0.000 0.989 166 G HN -0.371 7.893 8.290 -0.043 0.000 0.559 167 S N 3.240 118.927 115.700 -0.022 0.000 2.363 167 S HA -0.110 4.602 4.470 -0.008 -0.247 0.218 167 S C 2.621 177.215 174.600 -0.011 0.000 1.035 167 S CA 2.570 60.762 58.200 -0.013 0.000 1.043 167 S CB 0.095 63.287 63.200 -0.012 0.000 0.986 167 S HN -0.045 8.250 8.310 -0.025 0.000 0.423 168 G N -0.098 108.693 108.800 -0.015 0.000 3.340 168 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.240 168 G HA3 -0.006 3.948 3.960 -0.010 0.000 0.240 168 G C -0.523 174.369 174.900 -0.013 0.000 1.327 168 G CA -0.574 44.520 45.100 -0.009 0.000 1.170 168 G HN 0.389 8.667 8.290 -0.020 0.000 0.520 169 K N 2.421 122.811 120.400 -0.018 0.000 1.977 169 K HA -0.375 3.920 4.320 -0.042 0.000 0.218 169 K C 0.897 177.493 176.600 -0.007 0.000 1.051 169 K CA 3.863 60.135 56.287 -0.026 0.000 0.953 169 K CB -0.019 32.464 32.500 -0.030 0.000 0.727 169 K HN -0.422 7.720 8.250 -0.016 0.099 0.445 170 D N -1.188 119.216 120.400 0.006 0.000 2.157 170 D HA -0.406 4.247 4.640 0.022 0.000 0.191 170 D C 1.840 178.160 176.300 0.033 0.000 1.004 170 D CA 3.610 57.622 54.000 0.021 0.000 0.854 170 D CB -0.848 39.966 40.800 0.023 0.000 0.936 170 D HN 0.363 8.736 8.370 0.004 0.000 0.446 171 A N -0.460 122.380 122.820 0.033 0.000 1.835 171 A HA -0.166 4.192 4.320 0.062 0.000 0.215 171 A C 2.012 179.645 177.584 0.081 0.000 1.199 171 A CA 2.739 54.809 52.037 0.055 0.000 0.615 171 A CB -0.729 18.299 19.000 0.047 0.000 0.838 171 A HN -0.214 7.940 8.150 0.023 0.010 0.444 172 V N -0.256 119.684 119.914 0.044 0.000 2.332 172 V HA -0.417 3.731 4.120 0.046 0.000 0.248 172 V C 1.684 177.807 176.094 0.049 0.000 1.055 172 V CA 3.653 65.968 62.300 0.026 0.000 1.038 172 V CB 0.345 32.142 31.823 -0.043 0.000 0.651 172 V HN -0.226 7.976 8.190 0.019 0.000 0.450 173 V N -0.743 119.186 119.914 0.026 0.000 2.332 173 V HA -0.512 3.608 4.120 -0.000 0.000 0.248 173 V C 1.445 177.587 176.094 0.081 0.000 1.055 173 V CA 3.394 65.709 62.300 0.026 0.000 1.038 173 V CB -0.815 31.011 31.823 0.005 0.000 0.651 173 V HN 0.610 8.699 8.190 0.012 0.108 0.450 174 S N 0.732 116.489 115.700 0.094 0.000 2.356 174 S HA -0.351 4.168 4.470 0.082 0.000 0.223 174 S C 2.061 176.759 174.600 0.163 0.000 1.032 174 S CA 4.102 62.363 58.200 0.102 0.000 1.005 174 S CB -0.366 62.879 63.200 0.075 0.000 0.867 174 S HN -0.532 7.826 8.310 0.080 0.000 0.449 175 F N 3.141 123.105 119.950 0.024 0.000 2.091 175 F HA -0.404 4.143 4.527 0.033 0.000 0.299 175 F C 1.076 176.909 175.800 0.055 0.000 1.103 175 F CA 3.053 61.073 58.000 0.034 0.000 1.228 175 F CB -0.120 38.897 39.000 0.028 0.000 0.984 175 F HN -0.484 7.987 8.300 0.285 0.000 0.477 176 L N -1.473 120.007 121.223 0.427 0.000 2.027 176 L HA -0.407 4.201 4.340 0.447 0.000 0.206 176 L C 2.153 179.176 176.870 0.256 0.000 1.074 176 L CA 2.373 57.408 54.840 0.325 0.000 0.745 176 L CB -1.766 40.373 42.059 0.132 0.000 0.898 176 L HN -0.136 8.281 8.230 0.311 0.000 0.433 177 E N -0.313 119.985 120.200 0.163 0.000 2.253 177 E HA -0.370 4.047 4.350 0.111 0.000 0.202 177 E C 1.826 178.499 176.600 0.122 0.000 1.014 177 E CA 2.876 59.348 56.400 0.121 0.000 0.823 177 E CB -0.204 29.547 29.700 0.086 0.000 0.736 177 E HN 0.000 8.340 8.360 0.146 0.108 0.478 178 R N -2.422 118.150 120.500 0.120 0.000 2.072 178 R HA -0.050 4.323 4.340 0.054 0.000 0.214 178 R C 1.632 177.980 176.300 0.081 0.000 1.168 178 R CA 1.902 58.039 56.100 0.062 0.000 1.020 178 R CB 1.082 31.368 30.300 -0.023 0.000 0.914 178 R HN -0.503 7.709 8.270 0.145 0.145 0.449 179 E N -2.845 117.429 120.200 0.122 0.000 2.444 179 E HA -0.001 4.393 4.350 0.072 0.000 0.191 179 E C -0.217 176.510 176.600 0.213 0.000 1.041 179 E CA -0.185 56.301 56.400 0.143 0.000 0.883 179 E CB 0.724 30.503 29.700 0.133 0.000 1.024 179 E HN -0.175 8.282 8.360 0.161 0.000 0.470 180 Y N 2.353 122.734 120.300 0.135 0.000 2.544 180 Y HA -0.221 4.403 4.550 0.123 0.000 0.330 180 Y C -0.751 175.199 175.900 0.083 0.000 1.136 180 Y CA 1.023 59.190 58.100 0.111 0.000 1.417 180 Y CB 0.157 38.675 38.460 0.096 0.000 1.229 180 Y HN -0.376 8.043 8.280 0.335 0.062 0.532 181 K N 9.431 129.442 120.400 -0.648 0.000 2.281 181 K HA 0.156 4.282 4.320 -0.323 0.000 0.272 181 K C 0.149 176.294 176.600 -0.759 0.000 1.048 181 K CA -1.547 54.433 56.287 -0.511 0.000 0.898 181 K CB 0.699 33.063 32.500 -0.226 0.000 1.128 181 K HN 0.135 8.061 8.250 -0.540 0.000 0.460 182 E N 7.401 127.302 120.200 -0.498 0.000 2.223 182 E HA -0.460 3.794 4.350 -0.160 0.000 0.249 182 E C 0.063 176.593 176.600 -0.116 0.000 1.008 182 E CA 2.766 59.023 56.400 -0.238 0.000 0.975 182 E CB 0.133 29.793 29.700 -0.067 0.000 0.901 182 E HN 0.650 8.805 8.360 -0.341 0.000 0.537 183 N N -0.986 117.685 118.700 -0.048 0.000 2.714 183 N HA -0.007 4.777 4.740 0.074 0.000 0.298 183 N C -0.782 174.750 175.510 0.038 0.000 1.298 183 N CA -0.494 52.573 53.050 0.028 0.000 1.007 183 N CB -0.314 38.196 38.487 0.037 0.000 1.318 183 N HN -0.084 8.262 8.380 -0.057 0.000 0.516 184 L N 3.841 125.067 121.223 0.004 0.000 2.513 184 L HA 0.003 4.335 4.340 -0.014 0.000 0.272 184 L C -2.086 174.815 176.870 0.052 0.000 1.187 184 L CA -1.560 53.283 54.840 0.004 0.000 0.895 184 L CB 0.517 42.553 42.059 -0.038 0.000 1.147 184 L HN -0.719 7.402 8.230 -0.051 0.078 0.483 185 P HA 0.086 4.534 4.420 0.046 0.000 0.268 185 P C 0.261 177.465 177.300 -0.160 0.000 1.204 185 P CA -0.009 63.083 63.100 -0.014 0.000 0.768 185 P CB 0.805 32.503 31.700 -0.003 0.000 0.842 186 E N 6.962 126.929 120.200 -0.388 0.000 2.119 186 E HA -0.591 2.930 4.350 -1.382 0.000 0.221 186 E C 1.736 178.147 176.600 -0.314 0.000 1.062 186 E CA 4.864 60.822 56.400 -0.737 0.000 0.894 186 E CB 0.103 29.405 29.700 -0.663 0.000 0.785 186 E HN 0.477 8.680 8.360 -0.262 0.000 0.472 187 K N -2.128 118.220 120.400 -0.085 0.000 2.059 187 K HA -0.392 4.091 4.320 0.272 0.000 0.212 187 K C 2.414 179.082 176.600 0.115 0.000 1.050 187 K CA 3.464 59.822 56.287 0.118 0.000 0.927 187 K CB -0.414 32.160 32.500 0.123 0.000 0.714 187 K HN 0.102 8.305 8.250 -0.079 0.000 0.447 188 E N -2.220 117.994 120.200 0.023 0.000 2.216 188 E HA -0.159 4.233 4.350 0.069 0.000 0.192 188 E C 2.152 178.750 176.600 -0.004 0.000 0.988 188 E CA 2.404 58.821 56.400 0.028 0.000 0.834 188 E CB -0.043 29.664 29.700 0.013 0.000 0.772 188 E HN -0.335 8.008 8.360 -0.015 0.008 0.479 189 A N 1.893 124.670 122.820 -0.073 0.000 1.858 189 A HA -0.243 4.080 4.320 0.005 0.000 0.216 189 A C 1.594 179.130 177.584 -0.081 0.000 1.190 189 A CA 3.400 55.397 52.037 -0.067 0.000 0.617 189 A CB -0.388 18.517 19.000 -0.159 0.000 0.827 189 A HN 0.158 8.150 8.150 -0.119 0.086 0.443 190 V N -3.125 116.683 119.914 -0.178 0.000 2.490 190 V HA -0.505 3.471 4.120 -0.241 0.000 0.250 190 V C 1.011 177.022 176.094 -0.139 0.000 1.061 190 V CA 3.947 66.090 62.300 -0.261 0.000 1.064 190 V CB 0.041 31.522 31.823 -0.571 0.000 0.670 190 V HN 0.482 8.538 8.190 -0.224 0.000 0.461 191 T N 3.347 117.905 114.554 0.007 0.000 2.614 191 T HA -0.351 4.080 4.350 0.136 0.000 0.263 191 T C 1.540 176.244 174.700 0.008 0.000 1.055 191 T CA 5.231 67.382 62.100 0.085 0.000 1.162 191 T CB -0.541 68.406 68.868 0.133 0.000 0.863 191 T HN -0.695 7.470 8.240 0.030 0.094 0.414 192 L N 0.793 122.021 121.223 0.009 0.000 2.089 192 L HA -0.378 3.973 4.340 0.019 0.000 0.213 192 L C 1.959 178.761 176.870 -0.113 0.000 1.079 192 L CA 3.171 58.009 54.840 -0.004 0.000 0.758 192 L CB -0.589 41.505 42.059 0.058 0.000 0.891 192 L HN 0.194 8.438 8.230 0.024 0.000 0.433 193 G N -1.602 107.144 108.800 -0.090 0.000 2.404 193 G HA2 -0.348 3.525 3.960 -0.146 0.000 0.214 193 G HA3 -0.348 3.547 3.960 -0.109 0.000 0.214 193 G C 0.615 175.409 174.900 -0.176 0.000 1.189 193 G CA 1.853 46.872 45.100 -0.134 0.000 0.789 193 G HN 0.072 8.320 8.290 -0.056 0.008 0.533 194 I N 2.216 122.704 120.570 -0.136 0.000 2.361 194 I HA -0.464 3.635 4.170 -0.118 0.000 0.251 194 I C 1.041 177.086 176.117 -0.119 0.000 1.133 194 I CA 2.812 64.046 61.300 -0.109 0.000 1.413 194 I CB -0.105 37.865 38.000 -0.051 0.000 1.073 194 I HN 0.250 8.387 8.210 -0.120 0.000 0.424 195 K N 0.227 120.542 120.400 -0.143 0.000 2.001 195 K HA -0.374 3.910 4.320 -0.060 0.000 0.208 195 K C 1.678 178.048 176.600 -0.384 0.000 1.048 195 K CA 3.825 60.018 56.287 -0.156 0.000 0.932 195 K CB -0.125 32.328 32.500 -0.079 0.000 0.715 195 K HN 0.266 8.431 8.250 -0.121 0.013 0.437 196 A N -0.457 121.921 122.820 -0.736 0.000 1.908 196 A HA -0.248 3.013 4.320 -1.765 0.000 0.218 196 A C 2.386 179.741 177.584 -0.382 0.000 1.181 196 A CA 2.874 54.315 52.037 -0.992 0.000 0.627 196 A CB -0.659 17.855 19.000 -0.811 0.000 0.818 196 A HN -0.310 7.466 8.150 -0.623 0.000 0.445 197 L N -1.568 119.507 121.223 -0.247 0.000 2.017 197 L HA -0.345 3.924 4.340 -0.118 0.000 0.208 197 L C 1.190 178.008 176.870 -0.087 0.000 1.073 197 L CA 3.049 57.808 54.840 -0.135 0.000 0.745 197 L CB -0.305 41.686 42.059 -0.113 0.000 0.894 197 L HN 0.288 8.180 8.230 -0.263 0.180 0.432 198 K N -1.038 119.313 120.400 -0.082 0.000 1.969 198 K HA -0.450 4.089 4.320 -0.021 -0.232 0.223 198 K C 2.442 179.042 176.600 0.001 0.000 1.048 198 K CA 3.320 59.589 56.287 -0.029 0.000 0.983 198 K CB -0.070 32.423 32.500 -0.012 0.000 0.738 198 K HN 0.122 8.125 8.250 -0.112 0.180 0.446 199 S N -1.965 113.755 115.700 0.035 0.000 2.425 199 S HA -0.459 4.073 4.470 0.103 0.000 0.256 199 S C 1.110 175.754 174.600 0.074 0.000 1.101 199 S CA 3.436 61.700 58.200 0.106 0.000 1.188 199 S CB -0.675 62.688 63.200 0.272 0.000 1.085 199 S HN -0.234 8.083 8.310 0.012 0.000 0.439 200 S N 1.733 117.464 115.700 0.052 0.000 2.557 200 S HA -0.236 4.266 4.470 0.055 0.000 0.225 200 S C 2.160 176.771 174.600 0.019 0.000 1.092 200 S CA 2.245 60.465 58.200 0.035 0.000 1.310 200 S CB 0.246 63.450 63.200 0.006 0.000 1.147 200 S HN -0.812 7.518 8.310 0.033 0.000 0.402 201 L N -0.849 120.375 121.223 0.001 0.000 2.349 201 L HA -0.131 4.210 4.340 0.001 0.000 0.220 201 L C 1.872 178.744 176.870 0.005 0.000 1.130 201 L CA 1.480 56.320 54.840 -0.001 0.000 0.791 201 L CB -0.436 41.616 42.059 -0.012 0.000 0.918 201 L HN -0.514 7.710 8.230 -0.010 0.000 0.444 202 E N -1.471 118.735 120.200 0.010 0.000 2.651 202 E HA -0.146 4.210 4.350 0.009 0.000 0.236 202 E C 0.038 176.650 176.600 0.019 0.000 1.422 202 E CA -0.399 56.010 56.400 0.014 0.000 1.534 202 E CB -2.656 27.055 29.700 0.017 0.000 1.381 202 E HN 0.138 8.451 8.360 0.011 0.053 0.435 203 E N 0.167 120.377 120.200 0.016 0.000 2.158 203 E HA -0.118 4.243 4.350 0.019 0.000 0.191 203 E C 1.176 177.783 176.600 0.012 0.000 0.982 203 E CA 1.515 57.925 56.400 0.016 0.000 0.823 203 E CB 0.221 29.929 29.700 0.013 0.000 0.766 203 E HN 0.044 8.296 8.360 0.013 0.116 0.468 204 G N 0.579 109.385 108.800 0.009 0.000 3.424 204 G HA2 0.100 4.064 3.960 0.007 0.000 0.263 204 G HA3 0.100 4.063 3.960 0.005 0.000 0.263 204 G C -0.926 173.979 174.900 0.008 0.000 1.310 204 G CA -0.639 44.465 45.100 0.007 0.000 1.089 204 G HN -0.541 7.741 8.290 0.008 0.014 0.534 205 E N -0.515 119.692 120.200 0.011 0.000 4.100 205 E HA -0.607 3.752 4.350 0.015 0.000 0.204 205 E C -0.800 175.806 176.600 0.010 0.000 1.271 205 E CA 2.477 58.884 56.400 0.012 0.000 2.192 205 E CB -1.106 28.601 29.700 0.011 0.000 1.879 205 E HN -0.656 7.608 8.360 0.013 0.104 0.291 206 E N 1.272 121.477 120.200 0.008 0.000 2.383 206 E HA -0.160 4.195 4.350 0.009 0.000 0.257 206 E C 0.180 176.783 176.600 0.005 0.000 1.079 206 E CA 0.201 56.605 56.400 0.007 0.000 0.934 206 E CB 0.136 29.840 29.700 0.006 0.000 0.978 206 E HN -0.168 8.159 8.360 0.007 0.038 0.462 207 L N 7.032 128.258 121.223 0.005 0.000 2.465 207 L HA -0.203 4.307 4.340 -0.003 -0.172 0.224 207 L C -0.730 176.139 176.870 -0.001 0.000 1.145 207 L CA 1.034 55.874 54.840 0.001 0.000 0.834 207 L CB -0.192 41.868 42.059 0.002 0.000 0.944 207 L HN 0.201 8.436 8.230 0.009 0.000 0.451 208 K N -4.149 116.252 120.400 0.003 0.000 1.792 208 K HA -0.317 4.006 4.320 0.005 0.000 0.412 208 K C -1.451 175.152 176.600 0.006 0.000 1.788 208 K CA 1.208 57.497 56.287 0.003 0.000 0.707 208 K CB -0.839 31.660 32.500 -0.002 0.000 1.113 208 K HN -0.461 7.740 8.250 0.006 0.053 0.728 209 A N 1.841 124.663 122.820 0.003 0.000 2.256 209 A HA 0.441 4.770 4.320 0.015 0.000 0.317 209 A C -2.784 174.797 177.584 -0.004 0.000 1.318 209 A CA -2.284 49.758 52.037 0.007 0.000 0.894 209 A CB 0.278 19.284 19.000 0.011 0.000 1.165 209 A HN 0.074 8.223 8.150 -0.000 0.000 0.525 210 P HA 0.169 4.666 4.420 -0.038 -0.099 0.276 210 P C -1.640 175.637 177.300 -0.037 0.000 1.244 210 P CA -0.898 62.182 63.100 -0.033 0.000 0.801 210 P CB 1.087 32.760 31.700 -0.046 0.000 1.006 211 E N 0.925 121.090 120.200 -0.059 0.000 2.165 211 E HA 0.356 4.684 4.350 -0.037 0.000 0.266 211 E C -1.976 174.558 176.600 -0.111 0.000 0.889 211 E CA -1.449 54.915 56.400 -0.060 0.000 0.756 211 E CB 3.004 32.672 29.700 -0.053 0.000 1.131 211 E HN 0.591 8.911 8.360 -0.066 0.000 0.411 212 I N 5.881 126.363 120.570 -0.148 0.000 2.582 212 I HA 0.779 4.975 4.170 -0.239 -0.170 0.292 212 I C -2.993 172.960 176.117 -0.273 0.000 1.066 212 I CA -2.197 58.925 61.300 -0.297 0.000 1.053 212 I CB 3.708 41.368 38.000 -0.567 0.000 1.241 212 I HN 0.544 8.699 8.210 -0.091 0.000 0.421 213 A N 7.264 129.977 122.820 -0.179 0.000 2.449 213 A HA 0.902 5.421 4.320 0.151 -0.109 0.302 213 A C -2.413 175.284 177.584 0.188 0.000 1.048 213 A CA -1.453 50.617 52.037 0.054 0.000 0.708 213 A CB 3.944 22.976 19.000 0.054 0.000 1.274 213 A HN 0.848 8.889 8.150 -0.182 0.000 0.410 214 S N 0.336 116.254 115.700 0.363 0.000 2.556 214 S HA 0.702 5.362 4.470 0.316 0.000 0.271 214 S C -1.862 172.816 174.600 0.129 0.000 1.135 214 S CA -1.031 57.360 58.200 0.319 0.000 0.858 214 S CB 3.591 66.999 63.200 0.346 0.000 1.114 214 S HN 0.987 9.451 8.310 0.431 0.105 0.468 215 I N -0.073 120.390 120.570 -0.178 0.000 2.865 215 I HA 0.357 4.401 4.170 -0.210 0.000 0.302 215 I C -2.536 173.486 176.117 -0.159 0.000 1.140 215 I CA -1.424 59.650 61.300 -0.377 0.000 1.021 215 I CB 3.771 41.152 38.000 -1.032 0.000 1.233 215 I HN 0.213 8.367 8.210 -0.094 0.000 0.427 216 T N 6.410 120.919 114.554 -0.076 0.000 2.893 216 T HA 0.295 4.675 4.350 -0.107 -0.095 0.291 216 T C -1.067 173.617 174.700 -0.026 0.000 1.028 216 T CA -1.946 60.140 62.100 -0.024 0.000 0.995 216 T CB 2.082 71.017 68.868 0.111 0.000 1.051 216 T HN 0.270 8.463 8.240 -0.078 0.000 0.470 217 V N 6.447 126.342 119.914 -0.032 0.000 2.752 217 V HA -0.460 3.661 4.120 0.003 0.000 0.306 217 V C 0.596 176.708 176.094 0.031 0.000 1.099 217 V CA 2.308 64.607 62.300 -0.003 0.000 1.240 217 V CB -0.037 31.778 31.823 -0.012 0.000 0.887 217 V HN 0.496 8.650 8.190 -0.059 0.000 0.499 218 G N 6.363 115.196 108.800 0.055 0.000 2.279 218 G HA2 -0.238 3.755 3.960 0.056 0.000 0.223 218 G HA3 -0.238 3.752 3.960 0.051 0.000 0.223 218 G C -1.402 173.568 174.900 0.117 0.000 1.015 218 G CA -0.232 44.909 45.100 0.068 0.000 0.621 218 G HN 0.584 8.911 8.290 0.061 0.000 0.506 219 N N -0.602 118.172 118.700 0.124 0.000 3.278 219 N HA 0.231 5.093 4.740 0.204 0.000 0.307 219 N C -1.917 173.606 175.510 0.023 0.000 1.551 219 N CA -1.006 52.117 53.050 0.121 0.000 0.794 219 N CB 1.702 40.218 38.487 0.049 0.000 1.770 219 N HN -0.183 8.186 8.380 0.087 0.063 0.612 220 K N -2.485 117.819 120.400 -0.159 0.000 2.107 220 K HA 0.061 3.961 4.320 -0.843 -0.086 0.251 220 K C 0.248 176.742 176.600 -0.177 0.000 1.012 220 K CA -0.247 55.795 56.287 -0.407 0.000 0.920 220 K CB 0.971 33.253 32.500 -0.363 0.000 1.033 220 K HN -0.106 8.098 8.250 -0.078 0.000 0.478 221 Y N 0.471 120.652 120.300 -0.199 0.000 2.578 221 Y HA -0.305 4.238 4.550 -0.013 0.000 0.339 221 Y C 0.161 176.049 175.900 -0.019 0.000 1.231 221 Y CA 2.633 60.695 58.100 -0.063 0.000 1.461 221 Y CB 0.708 39.136 38.460 -0.054 0.000 1.323 221 Y HN -0.188 8.041 8.280 -0.084 0.000 0.590 222 R N 3.584 124.266 120.500 0.303 0.000 2.561 222 R HA 0.427 4.857 4.340 0.149 0.000 0.297 222 R C -1.957 174.520 176.300 0.294 0.000 0.969 222 R CA -1.435 54.795 56.100 0.218 0.000 0.879 222 R CB 3.472 33.862 30.300 0.150 0.000 1.178 222 R HN 0.833 9.208 8.270 0.367 0.114 0.445 223 I N 5.549 126.244 120.570 0.208 0.000 2.392 223 I HA 0.034 4.357 4.170 0.256 0.000 0.295 223 I C -0.644 175.640 176.117 0.279 0.000 0.985 223 I CA -1.037 60.394 61.300 0.218 0.000 1.221 223 I CB 1.542 39.601 38.000 0.099 0.000 1.366 223 I HN 0.315 8.610 8.210 0.142 0.000 0.467 224 Y N 7.378 127.690 120.300 0.021 0.000 2.346 224 Y HA -0.111 4.606 4.550 0.037 -0.145 0.330 224 Y C 0.628 176.544 175.900 0.027 0.000 1.178 224 Y CA -0.595 57.519 58.100 0.024 0.000 1.331 224 Y CB 0.574 39.034 38.460 0.001 0.000 1.253 224 Y HN 0.109 8.668 8.280 0.466 0.000 0.529 225 D N 2.175 122.653 120.400 0.130 0.000 2.312 225 D HA 0.022 4.710 4.640 0.081 0.000 0.248 225 D C 0.658 177.019 176.300 0.102 0.000 1.086 225 D CA -0.975 53.077 54.000 0.087 0.000 0.948 225 D CB 1.769 42.594 40.800 0.042 0.000 1.162 225 D HN -0.048 8.360 8.370 0.064 0.000 0.446 226 Q N 1.708 121.552 119.800 0.073 0.000 2.124 226 Q HA -0.493 3.890 4.340 0.072 0.000 0.215 226 Q C 1.662 177.708 176.000 0.077 0.000 1.015 226 Q CA 4.086 59.929 55.803 0.068 0.000 0.890 226 Q CB 0.050 28.814 28.738 0.043 0.000 0.966 226 Q HN 0.660 8.965 8.270 0.058 0.000 0.412 227 E N -2.044 118.193 120.200 0.062 0.000 2.072 227 E HA -0.318 4.061 4.350 0.048 0.000 0.191 227 E C 2.297 178.949 176.600 0.086 0.000 0.985 227 E CA 2.638 59.071 56.400 0.055 0.000 0.801 227 E CB -0.722 28.994 29.700 0.028 0.000 0.750 227 E HN -0.240 8.249 8.360 0.051 -0.098 0.452 228 E N -0.363 119.904 120.200 0.111 0.000 2.058 228 E HA -0.314 4.111 4.350 0.125 0.000 0.194 228 E C 2.409 179.252 176.600 0.404 0.000 0.997 228 E CA 2.784 59.297 56.400 0.188 0.000 0.801 228 E CB -0.006 29.756 29.700 0.102 0.000 0.746 228 E HN -0.565 8.026 8.360 0.088 -0.179 0.450 229 V N 0.124 120.253 119.914 0.357 0.000 2.358 229 V HA -0.388 4.033 4.120 0.502 0.000 0.246 229 V C 1.241 177.512 176.094 0.295 0.000 1.047 229 V CA 2.865 65.382 62.300 0.361 0.000 1.035 229 V CB -0.206 31.729 31.823 0.185 0.000 0.658 229 V HN -0.239 8.110 8.190 0.264 0.000 0.452 230 K N -0.948 119.558 120.400 0.176 0.000 2.281 230 K HA -0.339 4.040 4.320 0.099 0.000 0.203 230 K C 1.978 178.631 176.600 0.089 0.000 1.046 230 K CA 2.830 59.182 56.287 0.109 0.000 0.938 230 K CB -0.434 32.106 32.500 0.066 0.000 0.737 230 K HN -0.207 8.136 8.250 0.154 0.000 0.458 231 K N -2.165 118.289 120.400 0.090 0.000 2.148 231 K HA -0.190 4.083 4.320 -0.080 0.000 0.204 231 K C 1.454 177.948 176.600 -0.177 0.000 1.050 231 K CA 2.582 58.818 56.287 -0.085 0.000 0.942 231 K CB 0.347 32.724 32.500 -0.204 0.000 0.724 231 K HN -0.470 7.710 8.250 0.156 0.163 0.446 232 F N -4.512 115.460 119.950 0.038 0.000 2.569 232 F HA -0.078 4.461 4.527 0.021 0.000 0.295 232 F C 0.622 176.429 175.800 0.011 0.000 1.115 232 F CA 1.056 59.072 58.000 0.026 0.000 1.450 232 F CB 0.514 39.535 39.000 0.036 0.000 1.107 232 F HN -0.666 7.794 8.300 0.447 0.108 0.563 233 L N 0.000 121.335 121.223 0.186 0.000 2.949 233 L HA 0.000 4.398 4.340 0.097 0.000 0.249 233 L CA 0.000 54.901 54.840 0.102 0.000 0.813 233 L CB 0.000 42.109 42.059 0.084 0.000 0.961 233 L HN 0.000 8.224 8.230 0.213 0.134 0.502