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_E 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 3.957 3.960 -0.005 0.000 0.244 -3 G C 0.000 174.896 174.900 -0.006 0.000 0.946 -3 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 -2 A N 1.665 124.480 122.820 -0.010 0.000 2.608 -2 A HA 0.357 4.674 4.320 -0.005 0.000 0.292 -2 A C -1.424 176.150 177.584 -0.017 0.000 1.066 -2 A CA -0.357 51.675 52.037 -0.009 0.000 0.676 -2 A CB 1.537 20.533 19.000 -0.006 0.000 1.277 -2 A HN -0.052 8.090 8.150 -0.013 0.000 0.413 -1 M N 0.319 119.909 119.600 -0.017 0.000 2.300 -1 M HA 0.388 4.841 4.480 -0.045 0.000 0.348 -1 M C -0.508 175.766 176.300 -0.043 0.000 1.151 -1 M CA -0.178 55.100 55.300 -0.037 0.000 1.046 -1 M CB 0.506 33.081 32.600 -0.042 0.000 1.647 -1 M HN 0.247 8.534 8.290 -0.005 0.000 0.451 0 G N 0.431 109.190 108.800 -0.068 0.000 2.429 0 G HA2 0.121 4.022 3.960 -0.098 0.000 0.300 0 G HA3 0.121 4.040 3.960 -0.068 0.000 0.300 0 G C -0.438 174.413 174.900 -0.082 0.000 1.598 0 G CA -0.145 44.907 45.100 -0.081 0.000 0.863 0 G HN -0.125 8.122 8.290 -0.073 0.000 0.614 1 M N 1.110 120.654 119.600 -0.093 0.000 2.776 1 M HA -0.246 4.193 4.480 -0.069 0.000 0.233 1 M C -0.516 175.755 176.300 -0.049 0.000 1.078 1 M CA 0.248 55.506 55.300 -0.070 0.000 1.058 1 M CB -0.104 32.456 32.600 -0.066 0.000 1.611 1 M HN 0.262 8.482 8.290 -0.116 0.000 0.541 2 Q N -2.283 117.489 119.800 -0.047 0.000 2.406 2 Q HA -0.313 4.009 4.340 -0.030 0.000 0.320 2 Q C -1.429 174.557 176.000 -0.024 0.000 1.288 2 Q CA 0.876 56.660 55.803 -0.032 0.000 0.925 2 Q CB -0.164 28.559 28.738 -0.026 0.000 1.019 2 Q HN -0.274 7.811 8.270 -0.056 0.152 0.300 3 Q N 0.992 120.779 119.800 -0.021 0.000 2.225 3 Q HA 0.126 4.462 4.340 -0.006 0.000 0.230 3 Q C -1.021 174.977 176.000 -0.003 0.000 0.729 3 Q CA 0.467 56.264 55.803 -0.010 0.000 0.918 3 Q CB 1.113 29.846 28.738 -0.009 0.000 1.262 3 Q HN 0.170 8.425 8.270 -0.025 0.000 0.473 4 G N -1.431 107.366 108.800 -0.005 0.000 2.488 4 G HA2 0.096 4.058 3.960 0.003 0.000 0.301 4 G HA3 0.096 4.062 3.960 0.010 0.000 0.301 4 G C -1.489 173.412 174.900 0.001 0.000 1.339 4 G CA 0.030 45.132 45.100 0.003 0.000 0.803 4 G HN -0.345 7.937 8.290 -0.014 0.000 0.482 5 Q N -0.745 119.060 119.800 0.008 0.000 2.370 5 Q HA 0.120 4.461 4.340 0.003 0.000 0.186 5 Q C -0.135 175.873 176.000 0.015 0.000 1.093 5 Q CA -0.454 55.354 55.803 0.008 0.000 1.142 5 Q CB 0.748 29.492 28.738 0.011 0.000 1.175 5 Q HN 0.067 8.343 8.270 0.011 0.000 0.625 6 M N -0.260 119.350 119.600 0.017 0.000 4.047 6 M HA -0.177 4.318 4.480 0.026 0.000 0.157 6 M C -1.717 174.597 176.300 0.023 0.000 1.532 6 M CA -0.321 54.995 55.300 0.027 0.000 1.097 6 M CB 0.007 32.633 32.600 0.042 0.000 1.346 6 M HN 0.028 8.326 8.290 0.014 0.000 0.190 7 A N 3.413 126.248 122.820 0.026 0.000 2.462 7 A HA 0.136 4.461 4.320 0.008 0.000 0.243 7 A C 0.305 177.912 177.584 0.039 0.000 1.076 7 A CA -0.055 51.995 52.037 0.022 0.000 0.773 7 A CB 0.919 19.933 19.000 0.024 0.000 1.010 7 A HN -0.047 8.119 8.150 0.027 0.000 0.493 8 G N -1.329 107.476 108.800 0.008 0.000 2.422 8 G HA2 -0.246 3.735 3.960 0.035 0.000 0.218 8 G HA3 -0.246 3.626 3.960 -0.146 0.000 0.218 8 G C -1.002 173.982 174.900 0.140 0.000 1.146 8 G CA 1.075 46.177 45.100 0.004 0.000 0.769 8 G HN 0.674 8.959 8.290 -0.008 0.000 0.547 9 G N -3.019 105.820 108.800 0.066 0.000 4.571 9 G HA2 -0.086 3.889 3.960 0.025 0.000 0.226 9 G HA3 -0.086 3.880 3.960 0.010 0.000 0.226 9 G C 0.523 175.435 174.900 0.020 0.000 1.529 9 G CA -0.371 44.747 45.100 0.031 0.000 1.161 9 G HN -0.280 8.042 8.290 0.053 0.000 0.572 10 R N 0.510 121.030 120.500 0.033 0.000 2.096 10 R HA -0.232 4.134 4.340 0.044 0.000 0.235 10 R C 0.054 176.362 176.300 0.013 0.000 1.127 10 R CA 2.315 58.434 56.100 0.031 0.000 0.968 10 R CB -0.072 30.245 30.300 0.029 0.000 0.861 10 R HN 0.122 8.414 8.270 0.036 0.000 0.440 11 A N -3.450 119.373 122.820 0.006 0.000 2.252 11 A HA 0.089 4.409 4.320 -0.001 0.000 0.207 11 A C -0.418 177.156 177.584 -0.017 0.000 1.194 11 A CA -0.542 51.493 52.037 -0.003 0.000 0.809 11 A CB -0.227 18.772 19.000 -0.002 0.000 0.814 11 A HN -0.145 8.011 8.150 0.010 0.000 0.482 12 I N -1.776 118.780 120.570 -0.024 0.000 7.657 12 I HA -0.404 3.730 4.170 -0.060 0.000 0.126 12 I C -0.424 175.648 176.117 -0.075 0.000 1.596 12 I CA 0.845 62.116 61.300 -0.049 0.000 2.339 12 I CB 0.511 38.490 38.000 -0.035 0.000 3.233 12 I HN -0.555 7.427 8.210 -0.014 0.219 0.252 13 T N 3.295 117.775 114.554 -0.124 0.000 4.385 13 T HA -0.321 3.892 4.350 -0.228 0.000 0.330 13 T C -1.639 172.962 174.700 -0.165 0.000 0.771 13 T CA 1.382 63.383 62.100 -0.166 0.000 1.973 13 T CB -0.404 68.392 68.868 -0.120 0.000 1.908 13 T HN 0.387 8.545 8.240 -0.137 0.000 0.933 14 V N 0.793 120.598 119.914 -0.182 0.000 2.409 14 V HA 0.138 4.231 4.120 -0.044 0.000 0.290 14 V C -0.670 175.329 176.094 -0.158 0.000 1.017 14 V CA -1.056 61.182 62.300 -0.103 0.000 0.841 14 V CB 1.390 33.198 31.823 -0.025 0.000 1.003 14 V HN -0.584 7.490 8.190 -0.195 0.000 0.426 15 F N 8.404 128.329 119.950 -0.043 0.000 2.471 15 F HA 0.032 4.632 4.527 -0.107 -0.136 0.353 15 F C 0.713 176.487 175.800 -0.043 0.000 1.113 15 F CA 0.605 58.564 58.000 -0.069 0.000 1.262 15 F CB 1.029 39.990 39.000 -0.065 0.000 1.146 15 F HN 0.227 8.612 8.300 0.142 0.000 0.578 16 S N 3.320 119.091 115.700 0.119 0.000 2.617 16 S HA 0.363 4.935 4.470 0.169 0.000 0.269 16 S C -0.487 174.178 174.600 0.109 0.000 1.292 16 S CA -1.547 56.720 58.200 0.112 0.000 1.010 16 S CB 0.125 63.322 63.200 -0.006 0.000 0.944 16 S HN 0.305 8.705 8.310 0.045 -0.063 0.536 17 P HA -0.091 4.363 4.420 0.057 0.000 0.224 17 P C -1.441 175.884 177.300 0.042 0.000 1.142 17 P CA 1.760 64.902 63.100 0.070 0.000 0.778 17 P CB -0.324 31.421 31.700 0.074 0.000 0.764 18 D N -5.822 114.602 120.400 0.040 0.000 2.395 18 D HA -0.059 4.586 4.640 0.008 0.000 0.213 18 D C 0.708 176.999 176.300 -0.015 0.000 1.110 18 D CA -0.587 53.420 54.000 0.011 0.000 0.835 18 D CB -0.514 40.301 40.800 0.025 0.000 0.965 18 D HN -0.602 7.720 8.370 0.050 0.079 0.505 19 G N 1.591 110.394 108.800 0.005 0.000 2.303 19 G HA2 -0.497 3.500 3.960 0.060 0.000 0.260 19 G HA3 -0.497 3.431 3.960 -0.053 0.000 0.260 19 G C -1.466 173.506 174.900 0.120 0.000 1.106 19 G CA 0.290 45.410 45.100 0.033 0.000 0.900 19 G HN 0.332 8.459 8.290 0.032 0.183 0.495 20 R N -1.933 118.584 120.500 0.028 0.000 2.744 20 R HA 0.296 4.613 4.340 -0.040 0.000 0.279 20 R C -1.398 174.687 176.300 -0.358 0.000 0.977 20 R CA -1.757 54.234 56.100 -0.181 0.000 0.906 20 R CB 3.415 33.452 30.300 -0.439 0.000 1.197 20 R HN -0.058 8.266 8.270 -0.016 -0.063 0.463 21 L N 3.480 124.480 121.223 -0.371 0.000 2.302 21 L HA 0.286 4.339 4.340 -0.478 0.000 0.285 21 L C 0.268 176.904 176.870 -0.391 0.000 1.090 21 L CA -2.393 52.191 54.840 -0.426 0.000 0.866 21 L CB -2.282 39.551 42.059 -0.376 0.000 1.244 21 L HN 0.790 8.864 8.230 -0.258 0.000 0.435 22 F N 5.315 125.087 119.950 -0.297 0.000 2.161 22 F HA -0.488 3.786 4.527 -0.422 0.000 0.300 22 F C 1.591 176.929 175.800 -0.771 0.000 1.089 22 F CA 4.556 62.247 58.000 -0.516 0.000 1.282 22 F CB -0.189 38.503 39.000 -0.513 0.000 1.010 22 F HN -0.090 7.991 8.300 -0.365 0.000 0.485 23 Q N -1.935 117.670 119.800 -0.326 0.000 2.084 23 Q HA -0.403 3.767 4.340 -0.283 0.000 0.202 23 Q C 2.139 178.063 176.000 -0.127 0.000 0.978 23 Q CA 3.526 59.190 55.803 -0.231 0.000 0.844 23 Q CB -0.766 27.907 28.738 -0.108 0.000 0.898 23 Q HN 0.332 8.455 8.270 -0.226 0.012 0.426 24 V N 0.484 120.323 119.914 -0.124 0.000 2.407 24 V HA -0.471 3.642 4.120 -0.012 0.000 0.248 24 V C 1.335 177.419 176.094 -0.016 0.000 1.055 24 V CA 3.765 66.033 62.300 -0.053 0.000 1.049 24 V CB -0.055 31.726 31.823 -0.069 0.000 0.662 24 V HN -0.609 7.477 8.190 -0.173 0.000 0.455 25 E N 0.258 120.425 120.200 -0.055 0.000 2.017 25 E HA -0.363 4.022 4.350 0.058 0.000 0.193 25 E C 2.825 179.549 176.600 0.207 0.000 0.997 25 E CA 3.172 59.605 56.400 0.055 0.000 0.804 25 E CB -0.570 29.178 29.700 0.080 0.000 0.757 25 E HN -0.369 7.813 8.360 -0.145 0.091 0.448 26 Y N -1.385 118.973 120.300 0.096 0.000 2.193 26 Y HA -0.345 4.244 4.550 0.064 0.000 0.285 26 Y C 2.238 178.165 175.900 0.044 0.000 1.166 26 Y CA 0.409 58.548 58.100 0.066 0.000 1.181 26 Y CB -1.508 36.986 38.460 0.057 0.000 0.976 26 Y HN 0.218 8.441 8.280 -0.096 0.000 0.520 27 A N -1.208 121.726 122.820 0.189 0.000 1.877 27 A HA -0.449 3.937 4.320 0.109 0.000 0.216 27 A C 1.788 179.429 177.584 0.095 0.000 1.186 27 A CA 3.002 55.107 52.037 0.114 0.000 0.620 27 A CB -0.665 18.382 19.000 0.080 0.000 0.822 27 A HN 0.033 8.268 8.150 0.159 0.010 0.443 28 R N -2.858 117.698 120.500 0.093 0.000 2.103 28 R HA -0.453 3.923 4.340 0.059 0.000 0.242 28 R C 2.651 178.994 176.300 0.072 0.000 1.142 28 R CA 3.413 59.557 56.100 0.075 0.000 0.960 28 R CB -0.434 29.910 30.300 0.074 0.000 0.858 28 R HN -0.411 7.845 8.270 0.097 0.072 0.439 29 E N -1.217 119.040 120.200 0.094 0.000 2.049 29 E HA -0.325 4.061 4.350 0.060 0.000 0.198 29 E C 2.118 178.745 176.600 0.044 0.000 1.007 29 E CA 2.808 59.249 56.400 0.069 0.000 0.809 29 E CB -0.798 28.945 29.700 0.071 0.000 0.749 29 E HN -0.518 7.824 8.360 0.132 0.097 0.450 30 A N -2.379 120.470 122.820 0.048 0.000 1.986 30 A HA -0.163 4.169 4.320 0.020 0.000 0.220 30 A C 2.597 180.195 177.584 0.023 0.000 1.171 30 A CA 2.842 54.897 52.037 0.031 0.000 0.640 30 A CB -1.194 17.827 19.000 0.035 0.000 0.811 30 A HN -0.292 7.898 8.150 0.068 0.000 0.451 31 V N -5.388 114.543 119.914 0.027 0.000 2.667 31 V HA -0.332 3.793 4.120 0.008 0.000 0.252 31 V C 0.853 176.951 176.094 0.007 0.000 1.065 31 V CA 3.039 65.348 62.300 0.014 0.000 1.083 31 V CB -0.412 31.420 31.823 0.015 0.000 0.692 31 V HN -0.681 7.412 8.190 0.039 0.120 0.468 32 K N 0.804 121.213 120.400 0.014 0.000 2.097 32 K HA -0.234 4.089 4.320 0.005 0.000 0.206 32 K C 2.038 178.639 176.600 0.002 0.000 1.049 32 K CA 3.372 59.665 56.287 0.009 0.000 0.933 32 K CB -0.220 32.291 32.500 0.018 0.000 0.717 32 K HN -0.151 7.985 8.250 0.024 0.127 0.442 33 K N -3.538 116.864 120.400 0.004 0.000 2.569 33 K HA -0.085 4.233 4.320 -0.002 0.000 0.193 33 K C 0.412 177.009 176.600 -0.005 0.000 1.026 33 K CA 0.188 56.474 56.287 -0.001 0.000 1.093 33 K CB -0.652 31.848 32.500 -0.000 0.000 0.849 33 K HN -0.697 7.451 8.250 0.009 0.107 0.509 34 G N -0.574 108.221 108.800 -0.008 0.000 2.531 34 G HA2 0.167 4.120 3.960 -0.012 0.000 0.313 34 G HA3 0.167 4.118 3.960 -0.016 0.000 0.313 34 G C -1.765 173.123 174.900 -0.020 0.000 1.238 34 G CA -2.331 42.760 45.100 -0.014 0.000 0.994 34 G HN -0.719 7.366 8.290 -0.007 0.201 0.493 35 S N -2.129 113.555 115.700 -0.026 0.000 2.587 35 S HA -0.143 4.312 4.470 -0.026 0.000 0.260 35 S C -0.368 174.209 174.600 -0.039 0.000 1.353 35 S CA 0.174 58.355 58.200 -0.031 0.000 0.995 35 S CB 0.645 63.824 63.200 -0.035 0.000 0.912 35 S HN 0.175 8.470 8.310 -0.026 0.000 0.568 36 T N 1.475 116.003 114.554 -0.043 0.000 2.829 36 T HA 0.628 5.122 4.350 -0.052 -0.175 0.282 36 T C -1.827 172.833 174.700 -0.067 0.000 0.990 36 T CA -0.768 61.301 62.100 -0.052 0.000 1.028 36 T CB 1.249 70.090 68.868 -0.045 0.000 0.951 36 T HN 0.205 8.421 8.240 -0.040 0.000 0.460 37 A N 6.593 129.365 122.820 -0.081 0.000 2.609 37 A HA 0.887 5.244 4.320 -0.094 -0.093 0.291 37 A C -3.043 174.475 177.584 -0.111 0.000 1.096 37 A CA -1.117 50.863 52.037 -0.095 0.000 0.684 37 A CB 3.246 22.189 19.000 -0.096 0.000 1.282 37 A HN 0.873 8.975 8.150 -0.080 0.000 0.412 38 L N -6.325 114.827 121.223 -0.117 0.000 2.654 38 L HA 0.878 5.208 4.340 -0.148 -0.079 0.257 38 L C -2.021 174.783 176.870 -0.110 0.000 1.093 38 L CA -1.215 53.547 54.840 -0.129 0.000 0.903 38 L CB 3.609 45.588 42.059 -0.134 0.000 1.520 38 L HN 0.996 9.052 8.230 -0.111 0.107 0.402 39 G N -4.533 104.200 108.800 -0.111 0.000 2.673 39 G HA2 0.822 4.889 3.960 -0.035 0.000 0.292 39 G HA3 0.822 4.752 3.960 -0.050 0.000 0.292 39 G C -3.287 171.576 174.900 -0.061 0.000 1.450 39 G CA 0.358 45.421 45.100 -0.062 0.000 0.837 39 G HN 0.586 8.790 8.290 -0.145 0.000 0.505 40 M N -3.788 115.822 119.600 0.017 0.000 2.414 40 M HA 0.411 4.949 4.480 -0.056 -0.092 0.287 40 M C -2.190 174.196 176.300 0.144 0.000 1.181 40 M CA -0.078 55.246 55.300 0.040 0.000 0.933 40 M CB 4.231 36.888 32.600 0.095 0.000 1.732 40 M HN 0.070 8.396 8.290 0.060 0.000 0.486 41 K N 1.053 121.518 120.400 0.108 0.000 2.270 41 K HA 0.298 4.674 4.320 -0.083 -0.105 0.276 41 K C -0.280 176.458 176.600 0.231 0.000 1.023 41 K CA 0.860 57.181 56.287 0.057 0.000 0.955 41 K CB 1.004 33.520 32.500 0.026 0.000 0.975 41 K HN 0.564 8.739 8.250 0.059 0.110 0.471 42 F N -0.905 119.101 119.950 0.093 0.000 3.043 42 F HA 0.691 5.274 4.527 0.093 0.000 0.357 42 F C 0.736 176.562 175.800 0.043 0.000 1.302 42 F CA -2.900 55.144 58.000 0.074 0.000 1.069 42 F CB 1.219 40.251 39.000 0.054 0.000 1.539 42 F HN 0.546 8.488 8.300 -0.426 0.103 0.505 43 A N 0.939 124.101 122.820 0.569 0.000 1.901 43 A HA -0.405 4.031 4.320 0.192 0.000 0.227 43 A C 0.337 178.008 177.584 0.144 0.000 1.551 43 A CA 2.900 55.131 52.037 0.324 0.000 0.769 43 A CB -0.478 18.733 19.000 0.353 0.000 0.845 43 A HN 0.230 8.774 8.150 0.657 0.000 0.481 44 N N -1.944 116.820 118.700 0.107 0.000 2.466 44 N HA 0.066 4.770 4.740 -0.061 0.000 0.272 44 N C -1.278 174.085 175.510 -0.245 0.000 1.455 44 N CA -0.840 52.182 53.050 -0.047 0.000 0.875 44 N CB 0.660 39.164 38.487 0.029 0.000 1.372 44 N HN 0.089 8.656 8.380 0.311 0.000 0.492 45 G N -1.573 106.786 108.800 -0.735 0.000 2.664 45 G HA2 0.661 4.313 3.960 -0.513 0.000 0.303 45 G HA3 0.661 4.212 3.960 -0.929 -0.149 0.303 45 G C -3.623 170.455 174.900 -1.369 0.000 1.243 45 G CA 0.189 44.712 45.100 -0.962 0.000 0.826 45 G HN -0.944 6.812 8.290 -0.890 0.000 0.498 46 V N -1.319 118.007 119.914 -0.981 0.000 3.120 46 V HA 0.817 4.787 4.120 -0.461 -0.127 0.303 46 V C -2.999 173.116 176.094 0.035 0.000 1.238 46 V CA -2.510 59.530 62.300 -0.433 0.000 1.008 46 V CB 3.929 35.649 31.823 -0.172 0.000 1.064 46 V HN 0.125 7.903 8.190 -0.687 0.000 0.434 47 L N 1.281 122.666 121.223 0.270 0.000 2.371 47 L HA 0.833 5.420 4.340 0.264 -0.088 0.262 47 L C -3.016 173.925 176.870 0.119 0.000 1.006 47 L CA -1.537 53.456 54.840 0.255 0.000 0.818 47 L CB 3.523 45.724 42.059 0.236 0.000 1.354 47 L HN -0.036 8.344 8.230 0.250 0.000 0.415 48 L N 0.066 121.333 121.223 0.072 0.000 2.342 48 L HA 0.781 5.235 4.340 -0.012 -0.121 0.271 48 L C -1.973 174.843 176.870 -0.090 0.000 1.008 48 L CA -1.066 53.772 54.840 -0.003 0.000 0.818 48 L CB 4.729 46.794 42.059 0.011 0.000 1.296 48 L HN 0.903 9.079 8.230 0.093 0.109 0.427 49 I N 3.237 123.742 120.570 -0.108 0.000 2.627 49 I HA 0.819 5.107 4.170 -0.153 -0.209 0.288 49 I C -3.013 173.035 176.117 -0.115 0.000 1.202 49 I CA -1.311 59.906 61.300 -0.138 0.000 1.050 49 I CB 4.128 42.025 38.000 -0.171 0.000 1.264 49 I HN 0.939 9.093 8.210 -0.093 0.000 0.429 50 S N 7.912 123.549 115.700 -0.105 0.000 2.542 50 S HA 0.449 4.865 4.470 -0.090 0.000 0.293 50 S C -2.022 172.532 174.600 -0.076 0.000 1.089 50 S CA -1.922 56.225 58.200 -0.088 0.000 0.961 50 S CB 2.638 65.789 63.200 -0.082 0.000 1.062 50 S HN 0.953 9.197 8.310 -0.109 0.000 0.483 51 D N 5.290 125.651 120.400 -0.065 0.000 2.336 51 D HA 0.116 4.726 4.640 -0.051 0.000 0.249 51 D C -1.082 175.194 176.300 -0.041 0.000 1.213 51 D CA -0.331 53.639 54.000 -0.051 0.000 0.870 51 D CB 0.759 41.532 40.800 -0.045 0.000 1.076 51 D HN 0.103 8.434 8.370 -0.066 0.000 0.483 52 K N 8.107 128.486 120.400 -0.036 0.000 2.184 52 K HA 0.016 4.318 4.320 -0.030 0.000 0.259 52 K C -1.329 175.259 176.600 -0.020 0.000 1.119 52 K CA -0.570 55.700 56.287 -0.028 0.000 0.991 52 K CB -0.429 32.056 32.500 -0.024 0.000 1.522 52 K HN -0.339 7.889 8.250 -0.036 0.000 0.405 53 K N 5.954 126.342 120.400 -0.019 0.000 2.262 53 K HA 0.014 4.327 4.320 -0.012 0.000 0.282 53 K C -1.175 175.419 176.600 -0.011 0.000 1.066 53 K CA -0.087 56.192 56.287 -0.014 0.000 0.901 53 K CB 0.667 33.158 32.500 -0.015 0.000 1.089 53 K HN -0.352 7.884 8.250 -0.023 0.000 0.476 54 V N 4.221 124.130 119.914 -0.008 0.000 2.769 54 V HA 0.122 4.238 4.120 -0.007 0.000 0.312 54 V C -0.959 175.132 176.094 -0.004 0.000 1.058 54 V CA -1.563 60.733 62.300 -0.006 0.000 0.952 54 V CB 1.882 33.702 31.823 -0.004 0.000 1.019 54 V HN 0.194 8.380 8.190 -0.007 0.000 0.445 55 R N 4.901 125.398 120.500 -0.004 0.000 1.747 55 R HA 0.189 4.527 4.340 -0.003 0.000 0.136 55 R C -0.294 176.005 176.300 -0.002 0.000 2.116 55 R CA 0.103 56.201 56.100 -0.003 0.000 1.739 55 R CB 0.290 30.588 30.300 -0.003 0.000 1.333 55 R HN 0.084 8.352 8.270 -0.004 0.000 0.480 56 S N -0.870 114.829 115.700 -0.002 0.000 2.584 56 S HA 0.126 4.596 4.470 -0.001 0.000 0.270 56 S C 1.672 176.272 174.600 -0.000 0.000 1.346 56 S CA -0.290 57.910 58.200 -0.001 0.000 1.018 56 S CB 0.697 63.897 63.200 -0.001 0.000 0.899 56 S HN -0.054 8.255 8.310 -0.002 0.000 0.542 57 R N 1.939 122.440 120.500 0.000 0.000 2.193 57 R HA -0.114 4.227 4.340 0.001 0.000 0.213 57 R C 0.691 176.992 176.300 0.001 0.000 1.055 57 R CA 1.411 57.511 56.100 0.001 0.000 0.995 57 R CB -0.319 29.982 30.300 0.001 0.000 0.893 57 R HN 0.504 8.774 8.270 0.000 0.000 0.459 58 L N -2.595 118.628 121.223 0.000 0.000 2.551 58 L HA -0.072 4.268 4.340 0.001 0.000 0.228 58 L C 0.472 177.343 176.870 0.000 0.000 1.153 58 L CA 0.362 55.202 54.840 0.000 0.000 0.851 58 L CB -0.542 41.517 42.059 0.000 0.000 0.959 58 L HN -0.388 7.797 8.230 0.000 0.045 0.451 59 I N -1.273 119.297 120.570 -0.000 0.000 2.638 59 I HA -0.058 4.112 4.170 -0.001 0.000 0.286 59 I C 1.262 177.379 176.117 -0.000 0.000 1.088 59 I CA -0.976 60.324 61.300 -0.001 0.000 1.397 59 I CB -0.018 37.981 38.000 -0.002 0.000 1.414 59 I HN -0.937 7.207 8.210 -0.000 0.066 0.566 60 E N 7.661 127.861 120.200 -0.000 0.000 2.594 60 E HA 0.033 4.384 4.350 0.001 0.000 0.300 60 E C -0.148 176.452 176.600 0.000 0.000 1.568 60 E CA -0.825 55.575 56.400 0.000 0.000 1.811 60 E CB -2.022 27.678 29.700 0.001 0.000 1.458 60 E HN 0.463 8.823 8.360 -0.001 0.000 0.470 61 Q N 1.177 120.978 119.800 0.000 0.000 2.478 61 Q HA -0.686 3.654 4.340 -0.000 0.000 0.462 61 Q C 0.706 176.706 176.000 -0.001 0.000 0.601 61 Q CA 2.273 58.076 55.803 0.001 0.000 0.953 61 Q CB -1.889 26.851 28.738 0.003 0.000 2.612 61 Q HN 0.055 8.234 8.270 0.000 0.092 1.022 62 N N 1.448 120.149 118.700 0.001 0.000 2.165 62 N HA -0.465 4.275 4.740 -0.001 0.000 0.198 62 N C 1.749 177.257 175.510 -0.004 0.000 0.999 62 N CA 2.798 55.849 53.050 0.000 0.000 0.893 62 N CB -0.443 38.046 38.487 0.004 0.000 1.025 62 N HN 0.252 8.634 8.380 0.004 0.000 0.456 63 S N 0.550 116.249 115.700 -0.003 0.000 2.423 63 S HA -0.321 4.146 4.470 -0.004 0.000 0.238 63 S C 1.346 175.942 174.600 -0.007 0.000 1.028 63 S CA 2.992 61.190 58.200 -0.004 0.000 1.000 63 S CB 0.022 63.221 63.200 -0.002 0.000 0.797 63 S HN -0.234 8.043 8.310 -0.001 0.033 0.487 64 I N 1.293 121.858 120.570 -0.009 0.000 2.664 64 I HA -0.058 4.105 4.170 -0.012 0.000 0.291 64 I C -2.115 173.991 176.117 -0.018 0.000 1.120 64 I CA -1.479 59.813 61.300 -0.012 0.000 1.503 64 I CB -0.492 37.501 38.000 -0.011 0.000 1.506 64 I HN -0.323 7.838 8.210 -0.007 0.045 0.621 65 E N 3.733 123.921 120.200 -0.020 0.000 2.351 65 E HA -0.153 4.401 4.350 -0.028 -0.221 0.266 65 E C -0.595 175.982 176.600 -0.038 0.000 1.031 65 E CA 0.379 56.762 56.400 -0.029 0.000 0.911 65 E CB -0.077 29.606 29.700 -0.028 0.000 0.986 65 E HN -0.563 7.705 8.360 -0.017 0.082 0.446 66 K N 3.747 124.119 120.400 -0.047 0.000 2.308 66 K HA 0.047 4.336 4.320 -0.052 0.000 0.197 66 K C 0.075 176.629 176.600 -0.076 0.000 1.049 66 K CA 0.827 57.079 56.287 -0.058 0.000 0.991 66 K CB 1.359 33.825 32.500 -0.057 0.000 0.836 66 K HN 0.196 8.942 8.250 -0.046 -0.523 0.500 67 I N -0.325 120.196 120.570 -0.082 0.000 2.325 67 I HA -0.071 4.142 4.170 -0.119 -0.115 0.291 67 I C -0.685 175.367 176.117 -0.109 0.000 1.019 67 I CA 0.016 61.251 61.300 -0.108 0.000 1.302 67 I CB 0.394 38.325 38.000 -0.114 0.000 1.401 67 I HN -0.462 8.050 8.210 -0.071 -0.345 0.485 68 Q N 7.150 126.880 119.800 -0.117 0.000 2.394 68 Q HA 0.390 4.677 4.340 -0.090 0.000 0.273 68 Q C -1.447 174.483 176.000 -0.116 0.000 1.089 68 Q CA -1.876 53.869 55.803 -0.096 0.000 0.812 68 Q CB 4.417 33.120 28.738 -0.059 0.000 1.353 68 Q HN 0.666 8.859 8.270 -0.127 0.000 0.438 69 L N 1.666 122.828 121.223 -0.102 0.000 2.399 69 L HA -0.007 4.237 4.340 -0.160 0.000 0.266 69 L C 0.301 177.163 176.870 -0.014 0.000 1.114 69 L CA 0.313 55.096 54.840 -0.096 0.000 0.804 69 L CB 0.941 42.949 42.059 -0.084 0.000 1.146 69 L HN 0.540 8.722 8.230 -0.080 0.000 0.451 70 I N -0.881 119.705 120.570 0.027 0.000 3.616 70 I HA 0.049 4.246 4.170 0.045 0.000 0.296 70 I C -0.535 175.616 176.117 0.057 0.000 1.226 70 I CA 0.915 62.249 61.300 0.057 0.000 1.394 70 I CB 1.368 39.428 38.000 0.100 0.000 1.171 70 I HN 0.660 8.886 8.210 0.027 0.000 0.442 71 D N -1.956 118.496 120.400 0.088 0.000 2.720 71 D HA 0.027 4.727 4.640 0.100 0.000 0.239 71 D C -1.623 174.796 176.300 0.198 0.000 1.218 71 D CA -0.208 53.868 54.000 0.128 0.000 0.748 71 D CB 2.296 43.171 40.800 0.125 0.000 1.387 71 D HN -0.623 7.801 8.370 0.090 0.000 0.438 72 D N 1.535 122.073 120.400 0.230 0.000 2.369 72 D HA -0.312 4.396 4.640 0.112 0.000 0.213 72 D C 0.650 177.024 176.300 0.123 0.000 0.982 72 D CA 2.807 56.912 54.000 0.176 0.000 0.931 72 D CB -0.054 40.822 40.800 0.126 0.000 0.889 72 D HN 0.487 8.986 8.370 0.214 0.000 0.487 73 Y N -5.806 114.610 120.300 0.194 0.000 2.588 73 Y HA 0.123 4.779 4.550 0.176 0.000 0.247 73 Y C -1.631 174.429 175.900 0.266 0.000 1.157 73 Y CA -1.368 56.845 58.100 0.188 0.000 1.215 73 Y CB 0.641 39.149 38.460 0.079 0.000 1.245 73 Y HN -0.524 8.292 8.280 0.532 -0.216 0.534 74 V N 0.538 120.722 119.914 0.449 0.000 2.737 74 V HA 0.517 5.101 4.120 0.523 -0.149 0.298 74 V C -2.899 173.322 176.094 0.212 0.000 1.163 74 V CA -1.827 60.703 62.300 0.383 0.000 0.925 74 V CB 3.141 35.112 31.823 0.246 0.000 1.037 74 V HN 0.127 8.439 8.190 0.383 0.108 0.433 75 A N 7.543 130.443 122.820 0.133 0.000 2.430 75 A HA 0.906 5.260 4.320 -0.074 -0.078 0.300 75 A C -3.044 174.549 177.584 0.016 0.000 1.124 75 A CA -2.211 49.757 52.037 -0.116 0.000 0.766 75 A CB 4.178 22.801 19.000 -0.629 0.000 1.328 75 A HN 1.116 9.464 8.150 0.330 0.000 0.424 76 A N -1.138 121.638 122.820 -0.074 0.000 2.539 76 A HA 1.188 5.568 4.320 -0.187 -0.173 0.296 76 A C -2.854 174.601 177.584 -0.214 0.000 1.073 76 A CA -1.627 50.288 52.037 -0.203 0.000 0.700 76 A CB 4.043 22.779 19.000 -0.440 0.000 1.296 76 A HN 0.836 8.922 8.150 -0.106 0.000 0.405 77 V N 0.351 120.118 119.914 -0.246 0.000 2.823 77 V HA 0.786 4.958 4.120 -0.157 -0.146 0.312 77 V C -1.925 174.045 176.094 -0.208 0.000 1.072 77 V CA -2.807 59.382 62.300 -0.184 0.000 0.937 77 V CB 3.457 35.196 31.823 -0.141 0.000 1.013 77 V HN 0.490 8.499 8.190 -0.302 0.000 0.430 78 T N 7.484 121.945 114.554 -0.154 0.000 2.907 78 T HA 0.664 5.027 4.350 -0.163 -0.111 0.290 78 T C -1.344 173.302 174.700 -0.091 0.000 1.066 78 T CA -2.223 59.796 62.100 -0.136 0.000 1.012 78 T CB 1.284 70.082 68.868 -0.118 0.000 1.184 78 T HN -0.107 8.058 8.240 -0.126 0.000 0.522 79 S N 1.688 117.344 115.700 -0.072 0.000 2.543 79 S HA 0.302 4.745 4.470 -0.045 0.000 0.271 79 S C -1.709 172.875 174.600 -0.028 0.000 1.148 79 S CA 0.079 58.250 58.200 -0.048 0.000 0.914 79 S CB 2.310 65.480 63.200 -0.051 0.000 1.096 79 S HN 0.946 9.211 8.310 -0.075 0.000 0.471 80 G N 3.728 112.519 108.800 -0.016 0.000 2.250 80 G HA2 -0.094 4.030 3.960 0.003 0.000 0.252 80 G HA3 -0.094 3.965 3.960 0.006 -0.096 0.252 80 G C -2.147 172.756 174.900 0.004 0.000 1.325 80 G CA -0.368 44.732 45.100 -0.000 0.000 1.091 80 G HN 0.023 8.302 8.290 -0.019 0.000 0.476 81 L N 3.416 124.649 121.223 0.016 0.000 2.654 81 L HA 0.140 4.487 4.340 0.012 0.000 0.271 81 L C 0.993 177.873 176.870 0.016 0.000 1.169 81 L CA -0.261 54.590 54.840 0.018 0.000 0.947 81 L CB -1.565 40.510 42.059 0.027 0.000 1.232 81 L HN 0.218 8.462 8.230 0.024 0.000 0.486 82 V N 8.784 128.702 119.914 0.008 0.000 2.250 82 V HA -0.512 3.607 4.120 -0.002 0.000 0.250 82 V C 0.893 176.995 176.094 0.014 0.000 1.060 82 V CA 4.589 66.892 62.300 0.004 0.000 1.030 82 V CB 0.172 31.995 31.823 0.000 0.000 0.643 82 V HN 0.357 8.550 8.190 0.005 0.000 0.445 83 A N -2.414 120.418 122.820 0.019 0.000 1.859 83 A HA -0.385 3.950 4.320 0.025 0.000 0.217 83 A C 1.658 179.271 177.584 0.049 0.000 1.198 83 A CA 3.496 55.550 52.037 0.028 0.000 0.629 83 A CB -1.128 17.886 19.000 0.023 0.000 0.830 83 A HN 0.217 8.376 8.150 0.015 0.000 0.446 84 D N -0.585 119.853 120.400 0.063 0.000 2.123 84 D HA -0.361 4.380 4.640 0.169 0.000 0.196 84 D C 2.071 178.428 176.300 0.094 0.000 0.992 84 D CA 3.114 57.191 54.000 0.128 0.000 0.833 84 D CB -0.603 40.290 40.800 0.154 0.000 0.954 84 D HN -0.254 8.145 8.370 0.048 0.000 0.455 85 A N 0.595 123.440 122.820 0.043 0.000 1.865 85 A HA -0.408 3.905 4.320 -0.012 0.000 0.217 85 A C 1.538 179.126 177.584 0.008 0.000 1.191 85 A CA 3.267 55.306 52.037 0.005 0.000 0.623 85 A CB -0.461 18.531 19.000 -0.013 0.000 0.826 85 A HN 0.270 8.375 8.150 0.039 0.069 0.444 86 R N -0.998 119.513 120.500 0.019 0.000 2.122 86 R HA -0.411 3.938 4.340 0.015 0.000 0.236 86 R C 1.952 178.278 176.300 0.043 0.000 1.129 86 R CA 3.481 59.596 56.100 0.024 0.000 0.925 86 R CB -0.060 30.255 30.300 0.025 0.000 0.850 86 R HN -0.239 8.042 8.270 0.019 0.000 0.431 87 V N -0.630 119.320 119.914 0.060 0.000 2.392 87 V HA -0.413 3.757 4.120 0.083 0.000 0.249 87 V C 1.486 177.624 176.094 0.073 0.000 1.059 87 V CA 3.521 65.871 62.300 0.082 0.000 1.051 87 V CB -0.027 31.864 31.823 0.113 0.000 0.658 87 V HN -0.596 7.630 8.190 0.061 0.000 0.455 88 L N -0.793 120.435 121.223 0.009 0.000 2.083 88 L HA -0.332 3.917 4.340 -0.151 0.000 0.209 88 L C 1.965 178.888 176.870 0.089 0.000 1.083 88 L CA 3.226 58.028 54.840 -0.063 0.000 0.752 88 L CB -0.395 41.558 42.059 -0.177 0.000 0.899 88 L HN -0.370 7.794 8.230 0.015 0.075 0.433 89 V N 0.357 120.316 119.914 0.075 0.000 2.270 89 V HA -0.560 3.648 4.120 0.146 0.000 0.245 89 V C 1.943 178.099 176.094 0.104 0.000 1.043 89 V CA 4.776 67.135 62.300 0.098 0.000 1.014 89 V CB -0.580 31.269 31.823 0.043 0.000 0.645 89 V HN 0.271 8.394 8.190 0.040 0.091 0.447 90 D N -0.012 120.439 120.400 0.085 0.000 2.158 90 D HA -0.346 4.318 4.640 0.039 0.000 0.197 90 D C 2.082 178.423 176.300 0.067 0.000 0.995 90 D CA 3.557 57.597 54.000 0.066 0.000 0.846 90 D CB -0.364 40.474 40.800 0.063 0.000 0.941 90 D HN 0.017 8.433 8.370 0.076 0.000 0.456 91 F N 0.611 120.559 119.950 -0.005 0.000 2.095 91 F HA -0.458 4.065 4.527 -0.007 0.000 0.298 91 F C 0.728 176.519 175.800 -0.015 0.000 1.104 91 F CA 3.656 61.647 58.000 -0.015 0.000 1.232 91 F CB -0.061 38.912 39.000 -0.045 0.000 0.987 91 F HN -0.340 8.107 8.300 0.250 0.002 0.475 92 A N -1.162 121.680 122.820 0.037 0.000 1.972 92 A HA -0.406 3.787 4.320 -0.210 0.000 0.219 92 A C 2.050 179.559 177.584 -0.124 0.000 1.169 92 A CA 2.976 54.975 52.037 -0.064 0.000 0.635 92 A CB -0.712 18.371 19.000 0.137 0.000 0.810 92 A HN -0.306 7.999 8.150 0.258 0.000 0.446 93 R N -1.306 119.156 120.500 -0.064 0.000 2.062 93 R HA -0.305 4.017 4.340 -0.030 0.000 0.231 93 R C 2.481 178.716 176.300 -0.108 0.000 1.136 93 R CA 3.695 59.762 56.100 -0.054 0.000 0.948 93 R CB 0.208 30.498 30.300 -0.017 0.000 0.845 93 R HN -0.281 7.888 8.270 -0.009 0.095 0.430 94 I N -2.232 118.245 120.570 -0.154 0.000 2.252 94 I HA -0.400 3.705 4.170 -0.108 0.000 0.245 94 I C 1.273 177.248 176.117 -0.237 0.000 1.102 94 I CA 3.885 65.085 61.300 -0.167 0.000 1.385 94 I CB -0.272 37.635 38.000 -0.156 0.000 1.064 94 I HN -0.008 8.113 8.210 -0.148 0.000 0.414 95 S N 0.575 116.030 115.700 -0.409 0.000 2.387 95 S HA -0.478 3.758 4.470 -0.389 0.000 0.230 95 S C 2.045 176.512 174.600 -0.221 0.000 1.035 95 S CA 3.548 61.495 58.200 -0.423 0.000 1.014 95 S CB -0.265 62.526 63.200 -0.681 0.000 0.836 95 S HN 0.347 8.234 8.310 -0.526 0.108 0.466 96 A N 1.174 123.891 122.820 -0.172 0.000 1.873 96 A HA -0.349 3.909 4.320 -0.104 0.000 0.215 96 A C 1.966 179.507 177.584 -0.072 0.000 1.186 96 A CA 2.984 54.959 52.037 -0.103 0.000 0.616 96 A CB -0.632 18.326 19.000 -0.069 0.000 0.823 96 A HN -0.206 7.733 8.150 -0.187 0.098 0.442 97 Q N -1.720 118.037 119.800 -0.072 0.000 2.112 97 Q HA -0.414 3.906 4.340 -0.034 0.000 0.206 97 Q C 2.774 178.745 176.000 -0.049 0.000 0.987 97 Q CA 2.608 58.381 55.803 -0.050 0.000 0.858 97 Q CB -0.842 27.867 28.738 -0.049 0.000 0.905 97 Q HN -0.363 7.856 8.270 -0.086 0.000 0.420 98 Q N -0.483 119.275 119.800 -0.070 0.000 2.014 98 Q HA -0.436 3.871 4.340 -0.055 0.000 0.207 98 Q C 2.122 178.109 176.000 -0.020 0.000 0.993 98 Q CA 3.443 59.211 55.803 -0.057 0.000 0.850 98 Q CB -0.354 28.337 28.738 -0.078 0.000 0.916 98 Q HN 0.229 8.437 8.270 -0.098 0.003 0.417 99 E N -0.582 119.621 120.200 0.005 0.000 2.085 99 E HA -0.387 4.074 4.350 0.186 0.000 0.194 99 E C 2.265 178.928 176.600 0.105 0.000 0.994 99 E CA 2.983 59.445 56.400 0.103 0.000 0.801 99 E CB -0.255 29.488 29.700 0.072 0.000 0.743 99 E HN -0.666 7.675 8.360 -0.031 0.000 0.453 100 K N -0.783 119.635 120.400 0.030 0.000 2.032 100 K HA -0.323 4.088 4.320 0.027 -0.074 0.209 100 K C 2.866 179.471 176.600 0.007 0.000 1.048 100 K CA 3.154 59.450 56.287 0.016 0.000 0.927 100 K CB -0.067 32.427 32.500 -0.011 0.000 0.712 100 K HN -0.431 7.820 8.250 0.002 0.000 0.441 101 V N -1.143 118.762 119.914 -0.015 0.000 2.759 101 V HA -0.270 3.832 4.120 -0.029 0.000 0.256 101 V C 1.263 177.318 176.094 -0.066 0.000 1.080 101 V CA 3.080 65.359 62.300 -0.035 0.000 1.101 101 V CB -0.007 31.792 31.823 -0.040 0.000 0.698 101 V HN 0.173 8.353 8.190 -0.018 0.000 0.477 102 T N -0.872 113.625 114.554 -0.094 0.000 3.004 102 T HA -0.144 4.086 4.350 -0.201 0.000 0.243 102 T C 1.212 175.723 174.700 -0.316 0.000 1.020 102 T CA 2.196 64.152 62.100 -0.239 0.000 1.145 102 T CB 0.806 69.452 68.868 -0.370 0.000 0.876 102 T HN -0.374 7.711 8.240 -0.049 0.125 0.449 103 Y N -1.174 119.103 120.300 -0.037 0.000 2.510 103 Y HA 0.093 4.624 4.550 -0.031 0.000 0.273 103 Y C 0.717 176.594 175.900 -0.037 0.000 1.119 103 Y CA 0.883 58.962 58.100 -0.036 0.000 1.286 103 Y CB 0.705 39.141 38.460 -0.040 0.000 1.061 103 Y HN 0.159 8.477 8.280 0.063 0.000 0.542 104 G N -2.191 106.657 108.800 0.080 0.000 2.176 104 G HA2 -0.410 3.618 3.960 0.009 0.000 0.253 104 G HA3 -0.410 3.566 3.960 0.027 0.000 0.253 104 G C -0.692 174.220 174.900 0.021 0.000 0.979 104 G CA -0.028 45.091 45.100 0.032 0.000 0.641 104 G HN -0.098 8.099 8.290 0.060 0.129 0.530 105 S N -1.690 114.034 115.700 0.039 0.000 2.604 105 S HA 0.007 4.454 4.470 -0.040 0.000 0.296 105 S C -1.831 172.752 174.600 -0.029 0.000 1.097 105 S CA -0.184 58.007 58.200 -0.016 0.000 0.883 105 S CB 1.331 64.507 63.200 -0.039 0.000 1.081 105 S HN -0.431 7.870 8.310 0.100 0.069 0.448 106 L N 8.565 129.752 121.223 -0.060 0.000 2.462 106 L HA 0.133 4.593 4.340 -0.069 -0.161 0.283 106 L C -0.753 176.062 176.870 -0.091 0.000 1.166 106 L CA -0.530 54.266 54.840 -0.073 0.000 0.964 106 L CB -1.241 40.778 42.059 -0.066 0.000 1.294 106 L HN 0.454 8.638 8.230 -0.077 0.000 0.449 107 V N 6.056 125.905 119.914 -0.108 0.000 2.323 107 V HA -0.145 3.923 4.120 -0.087 0.000 0.244 107 V C -1.171 174.870 176.094 -0.089 0.000 1.041 107 V CA 1.907 64.145 62.300 -0.103 0.000 1.025 107 V CB 0.776 32.520 31.823 -0.131 0.000 0.656 107 V HN -0.269 7.952 8.190 -0.125 -0.106 0.451 108 N N -3.005 115.629 118.700 -0.109 0.000 2.491 108 N HA 0.249 5.242 4.740 -0.058 -0.288 0.274 108 N C 0.864 176.303 175.510 -0.119 0.000 1.023 108 N CA -1.919 51.076 53.050 -0.093 0.000 0.902 108 N CB 0.632 39.061 38.487 -0.098 0.000 1.267 108 N HN -0.648 7.649 8.380 -0.138 0.000 0.503 109 I N 6.616 127.130 120.570 -0.093 0.000 2.567 109 I HA -0.413 3.674 4.170 -0.138 0.000 0.257 109 I C 0.148 176.079 176.117 -0.311 0.000 1.184 109 I CA 2.314 63.532 61.300 -0.136 0.000 1.451 109 I CB 0.304 38.290 38.000 -0.024 0.000 1.089 109 I HN -0.059 8.361 8.210 -0.044 -0.237 0.441 110 E N 0.517 120.501 120.200 -0.360 0.000 2.118 110 E HA -0.484 3.105 4.350 -1.269 0.000 0.195 110 E C 1.635 177.975 176.600 -0.434 0.000 0.992 110 E CA 3.697 59.714 56.400 -0.640 0.000 0.804 110 E CB -0.498 28.992 29.700 -0.349 0.000 0.741 110 E HN 0.346 8.864 8.360 -0.201 -0.278 0.458 111 N N -0.437 118.098 118.700 -0.274 0.000 2.120 111 N HA -0.271 4.360 4.740 -0.182 0.000 0.188 111 N C 2.116 177.492 175.510 -0.223 0.000 1.024 111 N CA 3.088 56.014 53.050 -0.207 0.000 0.852 111 N CB 0.086 38.477 38.487 -0.160 0.000 1.003 111 N HN -0.667 7.457 8.380 -0.234 0.116 0.424 112 L N 0.551 121.618 121.223 -0.261 0.000 1.989 112 L HA -0.286 3.928 4.340 -0.211 0.000 0.211 112 L C 1.072 177.707 176.870 -0.392 0.000 1.071 112 L CA 2.993 57.662 54.840 -0.285 0.000 0.749 112 L CB -0.345 41.536 42.059 -0.298 0.000 0.890 112 L HN -0.668 7.321 8.230 -0.258 0.086 0.431 113 V N -1.296 118.281 119.914 -0.562 0.000 2.295 113 V HA -0.637 2.934 4.120 -0.915 0.000 0.246 113 V C 1.423 177.336 176.094 -0.301 0.000 1.049 113 V CA 4.381 66.298 62.300 -0.639 0.000 1.024 113 V CB -0.424 31.013 31.823 -0.643 0.000 0.648 113 V HN -0.506 7.346 8.190 -0.562 0.000 0.447 114 K N -0.683 119.567 120.400 -0.250 0.000 2.074 114 K HA -0.427 3.841 4.320 -0.086 0.000 0.209 114 K C 2.186 178.752 176.600 -0.057 0.000 1.048 114 K CA 4.132 60.346 56.287 -0.122 0.000 0.926 114 K CB -0.427 32.007 32.500 -0.109 0.000 0.713 114 K HN 0.159 8.215 8.250 -0.323 0.000 0.444 115 R N -1.232 119.238 120.500 -0.049 0.000 2.081 115 R HA -0.313 4.063 4.340 0.061 0.000 0.235 115 R C 2.092 178.477 176.300 0.143 0.000 1.131 115 R CA 3.415 59.551 56.100 0.061 0.000 0.960 115 R CB -0.094 30.251 30.300 0.074 0.000 0.856 115 R HN -0.196 8.010 8.270 -0.106 0.001 0.436 116 V N -0.680 119.305 119.914 0.119 0.000 2.626 116 V HA -0.317 3.903 4.120 0.167 0.000 0.252 116 V C 1.068 177.142 176.094 -0.034 0.000 1.067 116 V CA 2.293 64.662 62.300 0.114 0.000 1.081 116 V CB -0.562 31.356 31.823 0.158 0.000 0.686 116 V HN -0.559 7.633 8.190 0.003 0.000 0.468 117 A N 1.210 124.026 122.820 -0.007 0.000 1.855 117 A HA -0.262 4.063 4.320 0.010 0.000 0.215 117 A C 1.773 179.358 177.584 0.001 0.000 1.191 117 A CA 3.191 55.231 52.037 0.005 0.000 0.613 117 A CB -0.475 18.539 19.000 0.024 0.000 0.829 117 A HN 0.359 8.402 8.150 -0.018 0.096 0.442 118 D N -1.455 118.952 120.400 0.012 0.000 2.149 118 D HA -0.355 4.318 4.640 0.054 0.000 0.198 118 D C 2.619 178.940 176.300 0.035 0.000 0.990 118 D CA 3.444 57.466 54.000 0.037 0.000 0.839 118 D CB -0.866 39.962 40.800 0.047 0.000 0.948 118 D HN 0.003 8.380 8.370 0.011 0.000 0.460 119 Q N -0.446 119.320 119.800 -0.057 0.000 2.030 119 Q HA -0.320 3.994 4.340 -0.044 0.000 0.204 119 Q C 2.413 178.410 176.000 -0.006 0.000 0.986 119 Q CA 2.853 58.570 55.803 -0.142 0.000 0.843 119 Q CB -0.195 28.184 28.738 -0.599 0.000 0.904 119 Q HN -0.531 7.685 8.270 -0.075 0.009 0.420 120 M N -1.002 118.535 119.600 -0.105 0.000 2.065 120 M HA -0.432 4.043 4.480 -0.009 0.000 0.259 120 M C 2.445 178.852 176.300 0.177 0.000 1.071 120 M CA 3.774 59.072 55.300 -0.003 0.000 1.109 120 M CB -0.203 32.362 32.600 -0.059 0.000 1.313 120 M HN -0.620 7.502 8.290 -0.176 0.063 0.408 121 Q N -0.842 119.032 119.800 0.125 0.000 2.217 121 Q HA -0.379 4.030 4.340 0.114 0.000 0.209 121 Q C 3.157 179.276 176.000 0.199 0.000 0.988 121 Q CA 3.146 59.030 55.803 0.134 0.000 0.878 121 Q CB -0.650 28.146 28.738 0.096 0.000 0.909 121 Q HN 0.220 8.426 8.270 0.072 0.107 0.424 122 Q N -0.385 119.583 119.800 0.280 0.000 2.096 122 Q HA -0.317 4.239 4.340 0.360 0.000 0.204 122 Q C 2.175 178.378 176.000 0.339 0.000 0.982 122 Q CA 3.210 59.224 55.803 0.352 0.000 0.850 122 Q CB -0.000 28.917 28.738 0.298 0.000 0.901 122 Q HN -0.173 8.134 8.270 0.252 0.114 0.422 123 Y N -6.479 113.912 120.300 0.151 0.000 2.680 123 Y HA -0.123 4.490 4.550 0.105 0.000 0.303 123 Y C 1.024 176.949 175.900 0.041 0.000 1.166 123 Y CA 1.257 59.413 58.100 0.095 0.000 1.344 123 Y CB -0.888 37.604 38.460 0.054 0.000 1.002 123 Y HN -0.321 8.397 8.280 0.873 0.086 0.537 124 T N -2.005 112.653 114.554 0.174 0.000 2.985 124 T HA -0.119 4.250 4.350 0.031 0.000 0.266 124 T C 0.676 175.346 174.700 -0.051 0.000 1.076 124 T CA 2.856 64.983 62.100 0.045 0.000 1.135 124 T CB 0.765 69.656 68.868 0.038 0.000 0.890 124 T HN -0.264 7.889 8.240 0.220 0.219 0.480 125 Q N -1.834 117.925 119.800 -0.068 0.000 2.179 125 Q HA 0.171 4.396 4.340 -0.191 0.000 0.244 125 Q C 1.364 177.173 176.000 -0.319 0.000 0.808 125 Q CA -0.086 55.590 55.803 -0.211 0.000 0.955 125 Q CB 1.519 30.096 28.738 -0.268 0.000 1.141 125 Q HN -0.415 7.724 8.270 0.011 0.137 0.485 126 Y N 3.367 123.613 120.300 -0.091 0.000 3.057 126 Y HA -0.160 4.340 4.550 -0.083 0.000 0.389 126 Y C 0.550 176.379 175.900 -0.120 0.000 1.049 126 Y CA 1.105 59.134 58.100 -0.118 0.000 1.876 126 Y CB -2.171 36.187 38.460 -0.171 0.000 1.918 126 Y HN -0.088 8.205 8.280 0.022 0.000 0.446 127 G N 1.239 110.016 108.800 -0.038 0.000 2.634 127 G HA2 -0.446 3.486 3.960 -0.047 0.000 0.309 127 G HA3 -0.446 3.507 3.960 -0.012 0.000 0.309 127 G C 0.105 174.989 174.900 -0.027 0.000 1.265 127 G CA -0.473 44.609 45.100 -0.029 0.000 0.998 127 G HN -0.416 7.720 8.290 -0.104 0.091 0.551 128 G N 0.629 109.417 108.800 -0.021 0.000 2.451 128 G HA2 -0.159 3.789 3.960 -0.021 0.000 0.287 128 G HA3 -0.159 3.788 3.960 -0.023 0.000 0.287 128 G C -1.174 173.701 174.900 -0.042 0.000 0.617 128 G CA 1.211 46.295 45.100 -0.027 0.000 2.108 128 G HN 0.076 8.359 8.290 -0.012 0.000 0.531 129 V N 0.757 120.649 119.914 -0.036 0.000 2.881 129 V HA -0.008 4.106 4.120 -0.011 0.000 0.275 129 V C -1.707 174.405 176.094 0.030 0.000 1.518 129 V CA -0.815 61.471 62.300 -0.023 0.000 0.936 129 V CB 3.361 35.104 31.823 -0.132 0.000 1.165 129 V HN -0.321 7.818 8.190 -0.028 0.034 0.447 130 R N 8.602 129.118 120.500 0.026 0.000 2.442 130 R HA 0.179 4.529 4.340 0.015 0.000 0.291 130 R C -1.756 174.543 176.300 -0.002 0.000 1.069 130 R CA -1.619 54.486 56.100 0.008 0.000 1.022 130 R CB 0.599 30.887 30.300 -0.020 0.000 0.976 130 R HN 0.264 8.542 8.270 0.013 0.000 0.443 131 P HA -0.026 4.459 4.420 0.109 0.000 0.271 131 P C -1.304 175.947 177.300 -0.081 0.000 1.233 131 P CA -0.299 62.817 63.100 0.028 0.000 0.789 131 P CB 0.625 32.363 31.700 0.064 0.000 0.951 132 Y N -0.980 119.273 120.300 -0.079 0.000 2.480 132 Y HA -0.095 4.562 4.550 -0.101 -0.168 0.341 132 Y C 1.602 177.476 175.900 -0.043 0.000 1.031 132 Y CA 0.969 59.007 58.100 -0.104 0.000 1.295 132 Y CB 0.152 38.507 38.460 -0.175 0.000 1.162 132 Y HN 0.223 8.610 8.280 0.179 0.000 0.523 133 G N 5.350 114.209 108.800 0.099 0.000 3.209 133 G HA2 0.032 4.035 3.960 0.072 0.000 0.274 133 G HA3 0.032 4.024 3.960 0.054 0.000 0.274 133 G C -2.724 172.215 174.900 0.065 0.000 0.850 133 G CA -0.075 45.067 45.100 0.071 0.000 1.907 133 G HN 0.589 9.201 8.290 0.067 -0.283 0.591 134 V N 1.849 121.801 119.914 0.063 0.000 3.177 134 V HA 0.633 4.896 4.120 0.018 -0.133 0.287 134 V C -3.210 172.891 176.094 0.012 0.000 1.465 134 V CA -0.919 61.398 62.300 0.028 0.000 1.020 134 V CB 3.611 35.446 31.823 0.020 0.000 1.152 134 V HN -0.600 7.597 8.190 0.077 0.040 0.448 135 S N 3.186 118.879 115.700 -0.013 0.000 2.570 135 S HA 1.004 5.623 4.470 -0.007 -0.154 0.286 135 S C -1.927 172.629 174.600 -0.075 0.000 1.099 135 S CA -1.428 56.759 58.200 -0.023 0.000 0.913 135 S CB 3.291 66.485 63.200 -0.011 0.000 1.085 135 S HN 0.215 8.513 8.310 -0.021 0.000 0.480 136 L N -3.719 117.438 121.223 -0.111 0.000 2.568 136 L HA 0.876 5.195 4.340 -0.209 -0.105 0.257 136 L C -2.223 174.474 176.870 -0.288 0.000 1.024 136 L CA -0.690 54.004 54.840 -0.243 0.000 0.854 136 L CB 3.511 45.346 42.059 -0.373 0.000 1.460 136 L HN 0.695 8.890 8.230 -0.059 0.000 0.409 137 I N -6.970 113.380 120.570 -0.367 0.000 2.545 137 I HA 0.775 5.005 4.170 -0.095 -0.116 0.292 137 I C -2.004 173.907 176.117 -0.344 0.000 1.040 137 I CA -1.950 59.210 61.300 -0.233 0.000 1.068 137 I CB 3.473 41.403 38.000 -0.117 0.000 1.251 137 I HN 0.718 8.705 8.210 -0.372 0.000 0.424 138 F N 5.176 125.195 119.950 0.115 0.000 2.443 138 F HA 0.744 5.475 4.527 0.081 -0.156 0.335 138 F C -1.020 174.889 175.800 0.180 0.000 1.104 138 F CA -2.146 55.929 58.000 0.125 0.000 1.013 138 F CB 2.943 42.013 39.000 0.117 0.000 1.136 138 F HN 0.428 8.919 8.300 0.319 0.000 0.470 139 A N 0.940 123.959 122.820 0.330 0.000 2.515 139 A HA 1.115 5.808 4.320 0.289 -0.199 0.298 139 A C -1.959 175.839 177.584 0.357 0.000 1.059 139 A CA -1.563 50.649 52.037 0.293 0.000 0.698 139 A CB 4.024 23.154 19.000 0.217 0.000 1.289 139 A HN 1.055 9.391 8.150 0.310 0.000 0.404 140 G N -0.543 108.410 108.800 0.255 0.000 2.317 140 G HA2 0.446 4.472 3.960 0.110 0.000 0.293 140 G HA3 0.446 4.714 3.960 0.302 -0.126 0.293 140 G C -3.513 171.439 174.900 0.088 0.000 1.287 140 G CA 0.855 46.079 45.100 0.207 0.000 0.850 140 G HN 0.060 8.468 8.290 0.196 0.000 0.515 141 I N 0.556 121.166 120.570 0.068 0.000 2.465 141 I HA 0.792 5.142 4.170 0.040 -0.157 0.291 141 I C -2.568 173.604 176.117 0.091 0.000 1.014 141 I CA -3.182 58.147 61.300 0.048 0.000 1.093 141 I CB 2.778 40.770 38.000 -0.012 0.000 1.267 141 I HN -0.352 7.920 8.210 0.102 0.000 0.431 142 D N 8.436 128.873 120.400 0.061 0.000 2.668 142 D HA 0.247 4.902 4.640 0.025 0.000 0.249 142 D C -0.791 175.514 176.300 0.009 0.000 1.150 142 D CA -1.593 52.426 54.000 0.031 0.000 1.090 142 D CB 1.955 42.769 40.800 0.024 0.000 1.244 142 D HN 0.359 8.663 8.370 0.056 0.099 0.636 143 Q N -1.299 118.492 119.800 -0.014 0.000 2.170 143 Q HA -0.220 4.108 4.340 -0.021 0.000 0.203 143 Q C 1.754 177.750 176.000 -0.007 0.000 0.976 143 Q CA 2.324 58.115 55.803 -0.020 0.000 0.858 143 Q CB 0.065 28.781 28.738 -0.036 0.000 0.907 143 Q HN -0.268 7.986 8.270 -0.026 0.000 0.433 144 I N -4.250 116.321 120.570 0.003 0.000 2.480 144 I HA -0.102 4.070 4.170 0.003 0.000 0.251 144 I C 0.529 176.653 176.117 0.012 0.000 1.124 144 I CA 0.871 62.177 61.300 0.010 0.000 1.444 144 I CB 0.979 38.994 38.000 0.025 0.000 1.098 144 I HN -0.117 8.421 8.210 0.006 -0.325 0.428 145 G N -3.235 105.575 108.800 0.017 0.000 2.320 145 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.274 145 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.274 145 G C -3.355 171.549 174.900 0.007 0.000 1.324 145 G CA -0.277 44.826 45.100 0.005 0.000 0.957 145 G HN -0.401 8.103 8.290 0.024 -0.200 0.481 146 P HA 0.139 4.669 4.420 -0.042 -0.135 0.268 146 P C -1.618 175.683 177.300 0.002 0.000 1.204 146 P CA 0.178 63.250 63.100 -0.047 0.000 0.768 146 P CB 0.288 31.909 31.700 -0.132 0.000 0.842 147 R N 0.067 120.602 120.500 0.058 0.000 2.771 147 R HA 0.466 4.916 4.340 0.016 -0.100 0.274 147 R C -2.043 174.334 176.300 0.128 0.000 0.987 147 R CA -1.457 54.712 56.100 0.115 0.000 0.908 147 R CB 4.794 35.292 30.300 0.330 0.000 1.213 147 R HN 0.963 9.272 8.270 0.065 0.000 0.468 148 L N 1.777 122.979 121.223 -0.034 0.000 2.516 148 L HA 0.748 5.395 4.340 0.199 -0.187 0.267 148 L C -2.433 174.337 176.870 -0.167 0.000 0.957 148 L CA -0.219 54.637 54.840 0.026 0.000 0.860 148 L CB 3.519 45.572 42.059 -0.010 0.000 1.265 148 L HN -0.011 8.200 8.230 -0.279 -0.149 0.403 149 F N 5.235 125.311 119.950 0.210 0.000 2.588 149 F HA 1.094 6.025 4.527 0.307 -0.220 0.314 149 F C -1.364 174.584 175.800 0.247 0.000 1.069 149 F CA -2.077 56.080 58.000 0.261 0.000 0.931 149 F CB 4.709 43.847 39.000 0.231 0.000 1.260 149 F HN 0.961 9.552 8.300 0.485 0.000 0.465 150 D N -0.300 120.368 120.400 0.447 0.000 2.490 150 D HA 0.575 5.450 4.640 0.167 -0.134 0.232 150 D C -1.780 174.688 176.300 0.279 0.000 1.053 150 D CA -1.835 52.318 54.000 0.254 0.000 0.914 150 D CB 3.798 44.652 40.800 0.090 0.000 1.431 150 D HN 0.497 9.187 8.370 0.532 0.000 0.483 151 C N 0.531 119.937 119.300 0.177 0.000 2.752 151 C HA 0.825 5.639 4.460 0.173 -0.251 0.360 151 C C -1.996 173.049 174.990 0.090 0.000 1.081 151 C CA -1.950 57.166 59.018 0.165 0.000 1.272 151 C CB 3.230 31.110 27.740 0.235 0.000 1.754 151 C HN 0.567 8.855 8.230 0.098 0.000 0.483 152 D N 7.473 127.923 120.400 0.083 0.000 2.487 152 D HA 0.737 5.404 4.640 0.044 0.000 0.262 152 D C -0.772 175.560 176.300 0.054 0.000 1.130 152 D CA -3.003 51.032 54.000 0.059 0.000 1.038 152 D CB -0.725 40.112 40.800 0.061 0.000 1.142 152 D HN -0.194 8.235 8.370 0.099 0.000 0.575 153 P HA -0.123 4.340 4.420 0.072 0.000 0.220 153 P C -0.723 176.616 177.300 0.065 0.000 1.148 153 P CA 1.922 65.061 63.100 0.065 0.000 0.803 153 P CB 0.164 31.904 31.700 0.066 0.000 0.782 154 A N -7.126 115.726 122.820 0.054 0.000 2.119 154 A HA -0.157 4.188 4.320 0.041 0.000 0.217 154 A C 0.464 178.082 177.584 0.057 0.000 1.153 154 A CA 0.552 52.617 52.037 0.047 0.000 0.692 154 A CB -0.070 18.953 19.000 0.037 0.000 0.799 154 A HN -0.129 8.256 8.150 0.052 -0.204 0.458 155 G N -3.786 105.050 108.800 0.060 0.000 2.141 155 G HA2 -0.289 3.704 3.960 0.054 0.000 0.231 155 G HA3 -0.289 3.707 3.960 0.060 0.000 0.231 155 G C -0.245 174.695 174.900 0.066 0.000 0.984 155 G CA -0.095 45.041 45.100 0.060 0.000 0.660 155 G HN -0.140 8.105 8.290 0.060 0.081 0.525 156 T N 3.297 117.894 114.554 0.072 0.000 2.869 156 T HA 0.140 4.532 4.350 0.070 0.000 0.295 156 T C -1.404 173.363 174.700 0.111 0.000 0.987 156 T CA 0.860 63.007 62.100 0.079 0.000 1.109 156 T CB 0.904 69.816 68.868 0.074 0.000 0.932 156 T HN 0.171 8.740 8.240 0.069 -0.288 0.518 157 I N 4.638 125.280 120.570 0.120 0.000 2.730 157 I HA 0.835 5.361 4.170 0.219 -0.225 0.298 157 I C -2.293 173.934 176.117 0.185 0.000 1.089 157 I CA -2.654 58.755 61.300 0.182 0.000 1.041 157 I CB 3.919 42.019 38.000 0.167 0.000 1.235 157 I HN 0.228 8.496 8.210 0.096 0.000 0.423 158 N N 6.510 125.356 118.700 0.245 0.000 2.405 158 N HA 0.239 5.004 4.740 0.041 0.000 0.274 158 N C -2.774 172.721 175.510 -0.025 0.000 1.170 158 N CA -0.464 52.616 53.050 0.050 0.000 0.848 158 N CB 3.992 42.366 38.487 -0.188 0.000 1.629 158 N HN 0.069 8.745 8.380 0.342 -0.091 0.481 159 E N 0.760 120.760 120.200 -0.333 0.000 2.191 159 E HA 0.612 4.656 4.350 -0.838 -0.197 0.278 159 E C -1.139 175.150 176.600 -0.519 0.000 0.972 159 E CA -1.067 54.926 56.400 -0.678 0.000 0.804 159 E CB 2.082 31.241 29.700 -0.902 0.000 1.110 159 E HN 0.178 8.373 8.360 -0.275 0.000 0.394 160 Y N 4.260 124.357 120.300 -0.338 0.000 2.659 160 Y HA 0.135 4.578 4.550 -0.179 0.000 0.333 160 Y C -0.640 175.136 175.900 -0.205 0.000 1.064 160 Y CA -0.501 57.468 58.100 -0.218 0.000 1.141 160 Y CB 2.145 40.500 38.460 -0.176 0.000 1.316 160 Y HN 0.709 8.900 8.280 -0.149 0.000 0.509 161 K N -0.771 119.628 120.400 -0.002 0.000 2.242 161 K HA -0.087 4.216 4.320 -0.029 0.000 0.200 161 K C -0.983 175.475 176.600 -0.235 0.000 1.050 161 K CA 0.933 57.170 56.287 -0.083 0.000 0.981 161 K CB 0.963 33.416 32.500 -0.080 0.000 0.795 161 K HN 0.353 8.629 8.250 0.044 0.000 0.477 162 A N -4.874 117.789 122.820 -0.261 0.000 2.590 162 A HA 0.475 4.808 4.320 -0.215 -0.142 0.294 162 A C -1.880 175.544 177.584 -0.267 0.000 1.046 162 A CA -0.163 51.675 52.037 -0.331 0.000 0.684 162 A CB 1.863 20.446 19.000 -0.695 0.000 1.279 162 A HN -0.771 7.318 8.150 -0.102 0.000 0.415 163 T N -0.286 114.079 114.554 -0.316 0.000 2.700 163 T HA 0.270 4.414 4.350 -0.344 0.000 0.307 163 T C -2.580 171.931 174.700 -0.316 0.000 1.580 163 T CA -0.585 61.246 62.100 -0.449 0.000 0.992 163 T CB 1.697 69.873 68.868 -1.152 0.000 1.577 163 T HN 0.846 8.832 8.240 -0.253 0.102 0.496 164 A N -0.023 122.623 122.820 -0.290 0.000 2.524 164 A HA 0.624 4.906 4.320 -0.185 -0.073 0.289 164 A C -3.050 174.428 177.584 -0.176 0.000 1.248 164 A CA -1.454 50.466 52.037 -0.194 0.000 0.712 164 A CB 3.072 21.990 19.000 -0.137 0.000 1.312 164 A HN 0.135 8.087 8.150 -0.331 0.000 0.441 165 I N -2.086 118.410 120.570 -0.124 0.000 2.897 165 I HA 0.182 4.302 4.170 -0.083 0.000 0.299 165 I C -1.621 174.454 176.117 -0.070 0.000 1.527 165 I CA -1.071 60.172 61.300 -0.095 0.000 0.979 165 I CB 4.146 42.084 38.000 -0.104 0.000 1.360 165 I HN 0.653 8.794 8.210 -0.115 0.000 0.495 166 G N 3.468 112.238 108.800 -0.049 0.000 2.445 166 G HA2 -0.367 3.735 3.960 -0.030 0.000 0.212 166 G HA3 -0.367 3.832 3.960 -0.044 -0.265 0.212 166 G C 0.036 174.921 174.900 -0.025 0.000 1.217 166 G CA 0.139 45.217 45.100 -0.037 0.000 1.002 166 G HN -0.338 7.927 8.290 -0.042 0.000 0.574 167 S N 3.503 119.190 115.700 -0.022 0.000 2.380 167 S HA -0.123 4.594 4.470 -0.008 -0.252 0.217 167 S C 2.599 177.192 174.600 -0.012 0.000 1.036 167 S CA 2.517 60.709 58.200 -0.014 0.000 1.050 167 S CB 0.057 63.249 63.200 -0.014 0.000 1.016 167 S HN -0.095 8.091 8.310 -0.026 0.109 0.419 168 G N 0.029 108.820 108.800 -0.017 0.000 3.375 168 G HA2 -0.001 3.958 3.960 -0.002 0.000 0.247 168 G HA3 -0.001 3.952 3.960 -0.012 0.000 0.247 168 G C -0.519 174.372 174.900 -0.015 0.000 1.343 168 G CA -0.632 44.461 45.100 -0.011 0.000 1.368 168 G HN 0.381 8.657 8.290 -0.022 0.000 0.549 169 K N 2.402 122.790 120.400 -0.020 0.000 1.987 169 K HA -0.370 3.923 4.320 -0.046 0.000 0.216 169 K C 0.842 177.436 176.600 -0.010 0.000 1.051 169 K CA 3.878 60.148 56.287 -0.027 0.000 0.942 169 K CB -0.001 32.482 32.500 -0.028 0.000 0.722 169 K HN -0.335 7.798 8.250 -0.017 0.107 0.444 170 D N -0.875 119.528 120.400 0.005 0.000 2.149 170 D HA -0.389 4.264 4.640 0.021 0.000 0.194 170 D C 1.901 178.220 176.300 0.031 0.000 1.001 170 D CA 3.587 57.599 54.000 0.020 0.000 0.849 170 D CB -0.786 40.027 40.800 0.023 0.000 0.939 170 D HN 0.317 8.690 8.370 0.004 0.000 0.449 171 A N 0.095 122.934 122.820 0.031 0.000 1.834 171 A HA -0.293 4.063 4.320 0.059 0.000 0.216 171 A C 1.800 179.432 177.584 0.080 0.000 1.203 171 A CA 2.973 55.041 52.037 0.053 0.000 0.621 171 A CB -0.818 18.207 19.000 0.043 0.000 0.841 171 A HN -0.137 8.017 8.150 0.021 0.008 0.446 172 V N 0.076 120.015 119.914 0.042 0.000 2.392 172 V HA -0.325 3.829 4.120 0.058 0.000 0.249 172 V C 1.679 177.802 176.094 0.047 0.000 1.059 172 V CA 2.919 65.233 62.300 0.023 0.000 1.051 172 V CB -0.567 31.220 31.823 -0.060 0.000 0.658 172 V HN -0.351 7.849 8.190 0.016 0.000 0.455 173 V N -0.130 119.798 119.914 0.024 0.000 2.407 173 V HA -0.536 3.580 4.120 -0.007 0.000 0.248 173 V C 1.543 177.683 176.094 0.077 0.000 1.055 173 V CA 4.647 66.960 62.300 0.022 0.000 1.049 173 V CB -0.794 31.029 31.823 -0.000 0.000 0.662 173 V HN 0.712 8.899 8.190 0.010 0.009 0.455 174 S N 1.002 116.760 115.700 0.096 0.000 2.356 174 S HA -0.323 4.195 4.470 0.080 0.000 0.223 174 S C 1.878 176.575 174.600 0.161 0.000 1.032 174 S CA 4.069 62.330 58.200 0.102 0.000 1.005 174 S CB -0.428 62.819 63.200 0.078 0.000 0.867 174 S HN -0.422 7.931 8.310 0.082 0.006 0.449 175 F N 3.419 123.381 119.950 0.021 0.000 2.063 175 F HA -0.435 4.110 4.527 0.031 0.000 0.298 175 F C 1.089 176.921 175.800 0.053 0.000 1.109 175 F CA 3.233 61.252 58.000 0.031 0.000 1.212 175 F CB -0.132 38.883 39.000 0.024 0.000 0.973 175 F HN -0.586 7.885 8.300 0.285 0.000 0.480 176 L N -1.716 119.769 121.223 0.435 0.000 2.017 176 L HA -0.419 4.191 4.340 0.449 0.000 0.208 176 L C 2.250 179.270 176.870 0.250 0.000 1.073 176 L CA 2.649 57.682 54.840 0.322 0.000 0.745 176 L CB -1.714 40.413 42.059 0.114 0.000 0.894 176 L HN -0.071 8.354 8.230 0.326 0.000 0.432 177 E N -0.828 119.467 120.200 0.159 0.000 2.233 177 E HA -0.341 4.073 4.350 0.106 0.000 0.199 177 E C 1.800 178.469 176.600 0.116 0.000 1.004 177 E CA 2.759 59.229 56.400 0.116 0.000 0.819 177 E CB -0.165 29.585 29.700 0.083 0.000 0.738 177 E HN -0.065 8.217 8.360 0.143 0.164 0.478 178 R N -2.155 118.414 120.500 0.114 0.000 2.084 178 R HA 0.062 4.433 4.340 0.052 0.000 0.209 178 R C 1.597 177.938 176.300 0.069 0.000 1.173 178 R CA 1.323 57.457 56.100 0.057 0.000 1.053 178 R CB 1.189 31.477 30.300 -0.019 0.000 0.948 178 R HN -0.380 7.816 8.270 0.141 0.159 0.460 179 E N -2.283 117.974 120.200 0.094 0.000 2.419 179 E HA 0.014 4.395 4.350 0.051 0.000 0.190 179 E C -0.460 176.269 176.600 0.214 0.000 1.040 179 E CA -0.210 56.258 56.400 0.113 0.000 0.900 179 E CB 0.751 30.474 29.700 0.038 0.000 1.054 179 E HN 0.057 8.383 8.360 0.119 0.106 0.462 180 Y N 1.902 122.280 120.300 0.130 0.000 2.465 180 Y HA -0.173 4.455 4.550 0.129 0.000 0.331 180 Y C -0.781 175.168 175.900 0.081 0.000 1.102 180 Y CA 1.141 59.309 58.100 0.112 0.000 1.358 180 Y CB 0.297 38.816 38.460 0.098 0.000 1.213 180 Y HN -0.435 7.981 8.280 0.327 0.060 0.525 181 K N 9.200 129.218 120.400 -0.636 0.000 2.316 181 K HA 0.211 4.347 4.320 -0.306 0.000 0.267 181 K C -0.048 176.103 176.600 -0.748 0.000 1.025 181 K CA -1.664 54.326 56.287 -0.495 0.000 0.896 181 K CB 0.878 33.239 32.500 -0.232 0.000 1.124 181 K HN 0.259 8.157 8.250 -0.586 0.000 0.451 182 E N 6.627 126.540 120.200 -0.479 0.000 2.124 182 E HA -0.459 3.806 4.350 -0.141 0.000 0.244 182 E C 0.870 177.400 176.600 -0.116 0.000 1.019 182 E CA 2.977 59.244 56.400 -0.221 0.000 0.941 182 E CB 0.115 29.788 29.700 -0.044 0.000 0.851 182 E HN 0.645 8.818 8.360 -0.312 0.000 0.537 183 N N -0.226 118.446 118.700 -0.047 0.000 2.994 183 N HA -0.019 4.762 4.740 0.068 0.000 0.306 183 N C -1.046 174.478 175.510 0.023 0.000 1.348 183 N CA -0.368 52.695 53.050 0.022 0.000 1.109 183 N CB -0.675 37.832 38.487 0.034 0.000 1.415 183 N HN 0.171 8.519 8.380 -0.052 0.000 0.529 184 L N 3.511 124.728 121.223 -0.011 0.000 2.462 184 L HA 0.124 4.448 4.340 -0.028 0.000 0.272 184 L C -1.981 174.910 176.870 0.035 0.000 1.166 184 L CA -1.988 52.843 54.840 -0.014 0.000 0.880 184 L CB 0.644 42.665 42.059 -0.064 0.000 1.142 184 L HN -0.730 7.382 8.230 -0.063 0.080 0.473 185 P HA 0.062 4.514 4.420 0.054 0.000 0.271 185 P C 0.382 177.562 177.300 -0.200 0.000 1.218 185 P CA -0.375 62.709 63.100 -0.025 0.000 0.780 185 P CB 0.747 32.442 31.700 -0.008 0.000 0.901 186 E N 6.077 125.997 120.200 -0.466 0.000 2.110 186 E HA -0.590 2.845 4.350 -1.525 0.000 0.225 186 E C 1.757 178.148 176.600 -0.349 0.000 1.063 186 E CA 4.964 60.869 56.400 -0.826 0.000 0.906 186 E CB 0.084 29.354 29.700 -0.716 0.000 0.795 186 E HN 0.461 8.631 8.360 -0.317 0.000 0.479 187 K N -2.060 118.276 120.400 -0.107 0.000 2.059 187 K HA -0.403 4.064 4.320 0.245 0.000 0.212 187 K C 2.488 179.140 176.600 0.087 0.000 1.050 187 K CA 3.581 59.929 56.287 0.101 0.000 0.927 187 K CB -0.448 32.124 32.500 0.120 0.000 0.714 187 K HN 0.116 8.308 8.250 -0.097 0.000 0.447 188 E N -1.843 118.359 120.200 0.003 0.000 2.152 188 E HA -0.212 4.170 4.350 0.053 0.000 0.192 188 E C 2.130 178.718 176.600 -0.019 0.000 0.983 188 E CA 2.706 59.113 56.400 0.011 0.000 0.818 188 E CB -0.081 29.617 29.700 -0.002 0.000 0.758 188 E HN -0.382 7.957 8.360 -0.032 0.001 0.467 189 A N 1.169 123.931 122.820 -0.095 0.000 1.865 189 A HA -0.256 4.055 4.320 -0.016 0.000 0.217 189 A C 1.811 179.338 177.584 -0.095 0.000 1.191 189 A CA 3.257 55.240 52.037 -0.090 0.000 0.623 189 A CB -0.374 18.509 19.000 -0.196 0.000 0.826 189 A HN 0.298 8.171 8.150 -0.147 0.189 0.444 190 V N -2.447 117.354 119.914 -0.188 0.000 2.392 190 V HA -0.481 3.489 4.120 -0.250 0.000 0.249 190 V C 1.240 177.257 176.094 -0.128 0.000 1.059 190 V CA 3.923 66.069 62.300 -0.257 0.000 1.051 190 V CB -0.125 31.363 31.823 -0.558 0.000 0.658 190 V HN 0.498 8.438 8.190 -0.239 0.107 0.455 191 T N 3.412 117.972 114.554 0.010 0.000 2.595 191 T HA -0.386 4.048 4.350 0.141 0.000 0.264 191 T C 1.684 176.395 174.700 0.019 0.000 1.058 191 T CA 5.023 67.174 62.100 0.085 0.000 1.166 191 T CB -0.667 68.274 68.868 0.122 0.000 0.863 191 T HN -0.610 7.564 8.240 0.028 0.083 0.415 192 L N 0.737 121.975 121.223 0.024 0.000 2.089 192 L HA -0.390 4.007 4.340 0.095 0.000 0.213 192 L C 1.940 178.747 176.870 -0.105 0.000 1.079 192 L CA 3.080 57.941 54.840 0.033 0.000 0.758 192 L CB -0.668 41.441 42.059 0.083 0.000 0.891 192 L HN 0.289 8.536 8.230 0.029 0.000 0.433 193 G N -1.194 107.547 108.800 -0.098 0.000 2.505 193 G HA2 -0.386 3.463 3.960 -0.185 0.000 0.214 193 G HA3 -0.386 3.494 3.960 -0.133 0.000 0.214 193 G C 0.679 175.450 174.900 -0.214 0.000 1.237 193 G CA 1.831 46.834 45.100 -0.162 0.000 0.802 193 G HN 0.061 8.240 8.290 -0.059 0.075 0.549 194 I N 2.445 122.926 120.570 -0.149 0.000 2.236 194 I HA -0.556 3.537 4.170 -0.129 0.000 0.249 194 I C 1.330 177.375 176.117 -0.121 0.000 1.102 194 I CA 3.112 64.343 61.300 -0.114 0.000 1.365 194 I CB -0.067 37.908 38.000 -0.041 0.000 1.051 194 I HN 0.385 8.410 8.210 -0.129 0.107 0.420 195 K N -0.249 120.073 120.400 -0.130 0.000 2.001 195 K HA -0.496 3.822 4.320 -0.003 0.000 0.208 195 K C 1.531 177.914 176.600 -0.362 0.000 1.048 195 K CA 3.798 60.027 56.287 -0.097 0.000 0.932 195 K CB -0.095 32.438 32.500 0.055 0.000 0.715 195 K HN 0.230 8.390 8.250 -0.109 0.024 0.437 196 A N 0.005 122.258 122.820 -0.944 0.000 1.865 196 A HA -0.269 2.460 4.320 -2.652 0.000 0.217 196 A C 2.221 179.504 177.584 -0.502 0.000 1.191 196 A CA 2.970 54.138 52.037 -1.449 0.000 0.623 196 A CB -0.731 17.518 19.000 -1.251 0.000 0.826 196 A HN -0.328 7.285 8.150 -0.788 0.065 0.444 197 L N -1.676 119.356 121.223 -0.318 0.000 2.012 197 L HA -0.395 3.856 4.340 -0.148 0.000 0.210 197 L C 1.329 178.137 176.870 -0.103 0.000 1.073 197 L CA 3.108 57.847 54.840 -0.168 0.000 0.748 197 L CB -0.423 41.554 42.059 -0.137 0.000 0.891 197 L HN 0.186 8.103 8.230 -0.344 0.107 0.431 198 K N -1.347 118.997 120.400 -0.093 0.000 1.969 198 K HA -0.460 4.063 4.320 -0.022 -0.216 0.223 198 K C 2.456 179.063 176.600 0.011 0.000 1.048 198 K CA 3.287 59.558 56.287 -0.027 0.000 0.983 198 K CB -0.077 32.421 32.500 -0.003 0.000 0.738 198 K HN 0.021 8.085 8.250 -0.128 0.108 0.446 199 S N -1.748 113.991 115.700 0.065 0.000 2.425 199 S HA -0.458 4.084 4.470 0.121 0.000 0.256 199 S C 1.247 175.901 174.600 0.089 0.000 1.101 199 S CA 3.374 61.656 58.200 0.136 0.000 1.188 199 S CB -0.693 62.711 63.200 0.340 0.000 1.085 199 S HN -0.134 8.211 8.310 0.059 0.000 0.439 200 S N 1.766 117.505 115.700 0.065 0.000 2.557 200 S HA -0.234 4.271 4.470 0.059 0.000 0.225 200 S C 2.102 176.714 174.600 0.021 0.000 1.092 200 S CA 2.238 60.462 58.200 0.039 0.000 1.310 200 S CB 0.261 63.464 63.200 0.005 0.000 1.147 200 S HN -0.681 7.659 8.310 0.048 -0.001 0.402 201 L N -0.812 120.412 121.223 0.001 0.000 2.349 201 L HA -0.134 4.207 4.340 0.000 0.000 0.220 201 L C 2.000 178.873 176.870 0.004 0.000 1.130 201 L CA 1.590 56.429 54.840 -0.002 0.000 0.791 201 L CB -0.412 41.638 42.059 -0.015 0.000 0.918 201 L HN -0.475 7.748 8.230 -0.012 0.000 0.444 202 E N -1.336 118.870 120.200 0.010 0.000 2.651 202 E HA -0.108 4.247 4.350 0.008 0.000 0.236 202 E C 0.700 177.311 176.600 0.019 0.000 1.422 202 E CA -0.426 55.982 56.400 0.014 0.000 1.534 202 E CB -2.550 27.161 29.700 0.018 0.000 1.381 202 E HN 0.062 8.377 8.360 0.012 0.052 0.435 203 E N 0.479 120.689 120.200 0.016 0.000 2.216 203 E HA -0.107 4.254 4.350 0.019 0.000 0.192 203 E C 0.941 177.548 176.600 0.011 0.000 0.988 203 E CA 1.570 57.979 56.400 0.015 0.000 0.834 203 E CB 0.196 29.904 29.700 0.013 0.000 0.772 203 E HN 0.190 8.439 8.360 0.013 0.119 0.479 204 G N -1.081 107.724 108.800 0.008 0.000 3.440 204 G HA2 0.019 3.983 3.960 0.006 0.000 0.263 204 G HA3 0.019 3.981 3.960 0.004 0.000 0.263 204 G C -0.742 174.162 174.900 0.007 0.000 1.236 204 G CA -0.853 44.250 45.100 0.006 0.000 0.927 204 G HN -0.513 7.767 8.290 0.008 0.015 0.530 205 E N -0.741 119.465 120.200 0.010 0.000 4.201 205 E HA -0.621 3.738 4.350 0.015 0.000 0.197 205 E C -1.163 175.443 176.600 0.010 0.000 1.283 205 E CA 2.484 58.891 56.400 0.012 0.000 2.240 205 E CB -1.362 28.344 29.700 0.010 0.000 1.878 205 E HN -0.428 7.762 8.360 0.012 0.177 0.315 206 E N 1.300 121.504 120.200 0.007 0.000 2.328 206 E HA -0.112 4.243 4.350 0.008 0.000 0.265 206 E C 0.428 177.030 176.600 0.004 0.000 1.057 206 E CA 0.240 56.644 56.400 0.006 0.000 0.916 206 E CB 0.137 29.840 29.700 0.005 0.000 0.993 206 E HN -0.248 8.074 8.360 0.006 0.041 0.446 207 L N 7.690 128.915 121.223 0.004 0.000 2.478 207 L HA -0.165 4.370 4.340 -0.005 -0.199 0.223 207 L C -0.638 176.230 176.870 -0.003 0.000 1.140 207 L CA 0.992 55.831 54.840 -0.001 0.000 0.842 207 L CB -0.043 42.016 42.059 -0.000 0.000 0.953 207 L HN 0.300 8.534 8.230 0.008 0.000 0.452 208 K N -4.936 115.465 120.400 0.002 0.000 1.860 208 K HA -0.370 3.953 4.320 0.004 0.000 0.320 208 K C -1.351 175.251 176.600 0.004 0.000 1.716 208 K CA 1.314 57.602 56.287 0.002 0.000 0.609 208 K CB -0.717 31.781 32.500 -0.003 0.000 0.915 208 K HN -0.370 7.831 8.250 0.004 0.052 0.766 209 A N 1.961 124.781 122.820 0.001 0.000 2.256 209 A HA 0.437 4.765 4.320 0.013 0.000 0.317 209 A C -2.799 174.780 177.584 -0.008 0.000 1.318 209 A CA -2.278 49.762 52.037 0.005 0.000 0.894 209 A CB 0.260 19.265 19.000 0.009 0.000 1.165 209 A HN 0.094 8.243 8.150 -0.002 0.000 0.525 210 P HA 0.143 4.632 4.420 -0.045 -0.096 0.278 210 P C -1.740 175.531 177.300 -0.047 0.000 1.238 210 P CA -0.871 62.204 63.100 -0.041 0.000 0.794 210 P CB 1.024 32.691 31.700 -0.055 0.000 0.955 211 E N 2.425 122.586 120.200 -0.065 0.000 2.156 211 E HA 0.313 4.638 4.350 -0.042 0.000 0.279 211 E C -1.883 174.648 176.600 -0.115 0.000 0.965 211 E CA -1.307 55.054 56.400 -0.065 0.000 0.789 211 E CB 2.702 32.369 29.700 -0.055 0.000 1.098 211 E HN 0.547 8.866 8.360 -0.070 0.000 0.397 212 I N 5.257 125.738 120.570 -0.148 0.000 2.619 212 I HA 0.684 4.866 4.170 -0.223 -0.146 0.292 212 I C -3.004 172.978 176.117 -0.225 0.000 1.100 212 I CA -2.123 59.008 61.300 -0.281 0.000 1.043 212 I CB 3.821 41.496 38.000 -0.542 0.000 1.239 212 I HN 0.484 8.637 8.210 -0.095 0.000 0.420 213 A N 6.719 129.455 122.820 -0.141 0.000 2.515 213 A HA 0.910 5.485 4.320 0.212 -0.127 0.298 213 A C -2.446 175.267 177.584 0.215 0.000 1.059 213 A CA -1.280 50.814 52.037 0.095 0.000 0.698 213 A CB 4.013 23.055 19.000 0.069 0.000 1.289 213 A HN 0.693 8.749 8.150 -0.157 0.000 0.404 214 S N -0.314 115.626 115.700 0.400 0.000 2.550 214 S HA 0.750 5.512 4.470 0.326 -0.096 0.270 214 S C -2.032 172.628 174.600 0.101 0.000 1.145 214 S CA -0.773 57.623 58.200 0.328 0.000 0.852 214 S CB 3.560 66.978 63.200 0.362 0.000 1.119 214 S HN 1.021 9.499 8.310 0.461 0.108 0.465 215 I N -0.904 119.527 120.570 -0.233 0.000 2.865 215 I HA 0.339 4.354 4.170 -0.259 0.000 0.302 215 I C -2.618 173.364 176.117 -0.224 0.000 1.140 215 I CA -1.544 59.493 61.300 -0.438 0.000 1.021 215 I CB 4.055 41.387 38.000 -1.114 0.000 1.233 215 I HN 0.602 8.726 8.210 -0.144 0.000 0.427 216 T N 5.321 119.785 114.554 -0.150 0.000 2.876 216 T HA 0.238 4.483 4.350 -0.175 0.000 0.289 216 T C -1.163 173.483 174.700 -0.090 0.000 1.014 216 T CA -1.698 60.347 62.100 -0.091 0.000 0.986 216 T CB 1.954 70.851 68.868 0.048 0.000 1.021 216 T HN 0.228 8.373 8.240 -0.159 0.000 0.458 217 V N 7.245 127.110 119.914 -0.082 0.000 2.843 217 V HA -0.443 3.664 4.120 -0.022 0.000 0.305 217 V C 0.600 176.694 176.094 0.000 0.000 1.120 217 V CA 1.838 64.118 62.300 -0.033 0.000 1.254 217 V CB 0.380 32.185 31.823 -0.029 0.000 0.901 217 V HN 0.338 8.463 8.190 -0.108 0.000 0.503 218 G N 5.867 114.689 108.800 0.036 0.000 2.258 218 G HA2 -0.254 3.744 3.960 0.063 0.000 0.233 218 G HA3 -0.254 3.725 3.960 0.032 0.000 0.233 218 G C -1.421 173.515 174.900 0.061 0.000 1.006 218 G CA -0.148 44.982 45.100 0.050 0.000 0.620 218 G HN 0.527 8.853 8.290 0.059 0.000 0.511 219 N N -0.740 117.965 118.700 0.009 0.000 2.902 219 N HA 0.208 4.950 4.740 0.004 0.000 0.268 219 N C -2.089 173.251 175.510 -0.284 0.000 1.450 219 N CA -1.027 51.986 53.050 -0.062 0.000 0.819 219 N CB 1.913 40.371 38.487 -0.048 0.000 1.540 219 N HN -0.112 8.188 8.380 -0.020 0.067 0.545 220 K N -2.613 117.552 120.400 -0.393 0.000 2.138 220 K HA 0.039 3.854 4.320 -1.018 -0.107 0.251 220 K C 0.432 176.883 176.600 -0.248 0.000 1.015 220 K CA -0.158 55.796 56.287 -0.555 0.000 0.917 220 K CB 0.859 33.113 32.500 -0.409 0.000 1.021 220 K HN -0.118 7.989 8.250 -0.238 0.000 0.485 221 Y N 0.342 120.508 120.300 -0.224 0.000 2.683 221 Y HA -0.314 4.209 4.550 -0.045 0.000 0.340 221 Y C 0.438 176.319 175.900 -0.032 0.000 1.245 221 Y CA 2.684 60.737 58.100 -0.079 0.000 1.485 221 Y CB 0.652 39.086 38.460 -0.044 0.000 1.328 221 Y HN -0.321 7.908 8.280 -0.085 0.000 0.603 222 R N 3.785 124.446 120.500 0.269 0.000 2.476 222 R HA 0.403 4.821 4.340 0.129 0.000 0.305 222 R C -1.932 174.539 176.300 0.285 0.000 0.965 222 R CA -1.355 54.859 56.100 0.191 0.000 0.867 222 R CB 2.921 33.284 30.300 0.106 0.000 1.176 222 R HN 0.841 9.201 8.270 0.334 0.110 0.447 223 I N 6.804 127.495 120.570 0.202 0.000 2.353 223 I HA -0.004 4.320 4.170 0.257 0.000 0.293 223 I C -0.556 175.717 176.117 0.260 0.000 0.992 223 I CA -0.798 60.630 61.300 0.214 0.000 1.268 223 I CB 1.163 39.222 38.000 0.099 0.000 1.387 223 I HN 0.347 8.638 8.210 0.135 0.000 0.478 224 Y N 8.092 128.401 120.300 0.014 0.000 2.411 224 Y HA -0.119 4.595 4.550 0.028 -0.148 0.333 224 Y C 0.780 176.693 175.900 0.021 0.000 1.186 224 Y CA -0.411 57.698 58.100 0.015 0.000 1.381 224 Y CB 0.551 39.003 38.460 -0.014 0.000 1.273 224 Y HN 0.136 8.698 8.280 0.470 0.000 0.546 225 D N 2.065 122.549 120.400 0.140 0.000 2.313 225 D HA -0.028 4.661 4.640 0.081 0.000 0.247 225 D C 0.743 177.109 176.300 0.110 0.000 1.094 225 D CA -0.812 53.244 54.000 0.092 0.000 0.925 225 D CB 1.582 42.410 40.800 0.046 0.000 1.188 225 D HN -0.100 8.450 8.370 0.076 -0.134 0.430 226 Q N 1.964 121.810 119.800 0.077 0.000 2.142 226 Q HA -0.486 3.897 4.340 0.071 0.000 0.213 226 Q C 1.642 177.692 176.000 0.083 0.000 1.004 226 Q CA 4.024 59.869 55.803 0.070 0.000 0.883 226 Q CB 0.043 28.808 28.738 0.045 0.000 0.939 226 Q HN 0.647 8.953 8.270 0.061 0.000 0.413 227 E N -2.286 117.957 120.200 0.072 0.000 2.047 227 E HA -0.282 4.103 4.350 0.057 0.000 0.191 227 E C 2.023 178.688 176.600 0.108 0.000 0.987 227 E CA 2.521 58.961 56.400 0.067 0.000 0.799 227 E CB -0.622 29.101 29.700 0.039 0.000 0.752 227 E HN 0.025 8.493 8.360 0.059 -0.072 0.449 228 E N -0.318 119.967 120.200 0.142 0.000 2.058 228 E HA -0.337 4.119 4.350 0.177 0.000 0.194 228 E C 2.365 179.253 176.600 0.481 0.000 0.997 228 E CA 2.729 59.277 56.400 0.247 0.000 0.801 228 E CB -0.037 29.771 29.700 0.180 0.000 0.746 228 E HN -0.769 7.873 8.360 0.113 -0.215 0.450 229 V N -0.085 120.070 119.914 0.403 0.000 2.358 229 V HA -0.382 4.044 4.120 0.509 0.000 0.246 229 V C 1.154 177.439 176.094 0.319 0.000 1.047 229 V CA 2.857 65.383 62.300 0.376 0.000 1.035 229 V CB -0.159 31.758 31.823 0.157 0.000 0.658 229 V HN -0.323 8.045 8.190 0.296 0.000 0.452 230 K N -0.853 119.660 120.400 0.189 0.000 2.281 230 K HA -0.333 4.046 4.320 0.099 0.000 0.203 230 K C 1.932 178.582 176.600 0.084 0.000 1.046 230 K CA 2.856 59.210 56.287 0.112 0.000 0.938 230 K CB -0.442 32.099 32.500 0.069 0.000 0.737 230 K HN -0.416 7.872 8.250 0.167 0.062 0.458 231 K N -2.146 118.304 120.400 0.084 0.000 2.103 231 K HA -0.190 4.079 4.320 -0.086 0.000 0.204 231 K C 1.458 177.935 176.600 -0.205 0.000 1.052 231 K CA 2.620 58.847 56.287 -0.100 0.000 0.945 231 K CB 0.335 32.710 32.500 -0.208 0.000 0.722 231 K HN -0.407 7.779 8.250 0.164 0.162 0.443 232 F N -4.263 115.706 119.950 0.033 0.000 2.416 232 F HA -0.128 4.409 4.527 0.016 0.000 0.296 232 F C 0.788 176.590 175.800 0.004 0.000 1.099 232 F CA 1.395 59.405 58.000 0.018 0.000 1.427 232 F CB 0.414 39.424 39.000 0.017 0.000 1.079 232 F HN -0.641 7.795 8.300 0.417 0.114 0.536 233 L N 0.000 121.331 121.223 0.179 0.000 2.949 233 L HA 0.000 4.394 4.340 0.091 0.000 0.249 233 L CA 0.000 54.898 54.840 0.096 0.000 0.813 233 L CB 0.000 42.105 42.059 0.077 0.000 0.961 233 L HN 0.000 8.239 8.230 0.215 0.120 0.502