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 2ku1_1_G DATA FIRST_RESID -3 DATA SEQUENCE GAMGMQQGQM AYDRAITVFS 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 3.961 3.960 0.001 0.000 0.244 -3 G C 0.000 174.900 174.900 0.000 0.000 0.946 -3 G CA 0.000 45.101 45.100 0.001 0.000 0.502 -2 A N 2.224 125.044 122.820 0.001 0.000 2.462 -2 A HA 0.121 4.441 4.320 -0.000 0.000 0.243 -2 A C -0.046 177.538 177.584 -0.001 0.000 1.076 -2 A CA 0.272 52.309 52.037 0.000 0.000 0.773 -2 A CB 0.568 19.568 19.000 0.000 0.000 1.010 -2 A HN 0.116 8.266 8.150 0.001 0.000 0.493 -1 M N 0.866 120.465 119.600 -0.001 0.000 2.530 -1 M HA 0.225 4.704 4.480 -0.002 0.000 0.307 -1 M C -0.533 175.765 176.300 -0.002 0.000 1.161 -1 M CA 0.228 55.527 55.300 -0.002 0.000 0.903 -1 M CB 2.139 34.738 32.600 -0.002 0.000 1.711 -1 M HN 0.068 8.358 8.290 -0.001 0.000 0.451 0 G N 1.985 110.783 108.800 -0.003 0.000 2.341 0 G HA2 0.041 3.998 3.960 -0.004 0.000 0.300 0 G HA3 0.041 3.998 3.960 -0.004 0.000 0.300 0 G C -1.792 173.105 174.900 -0.005 0.000 1.706 0 G CA -0.276 44.822 45.100 -0.004 0.000 0.916 0 G HN -0.018 8.270 8.290 -0.003 0.000 0.716 1 M N 3.387 122.983 119.600 -0.007 0.000 2.152 1 M HA 0.137 4.612 4.480 -0.009 0.000 0.354 1 M C -0.014 176.280 176.300 -0.009 0.000 1.173 1 M CA -0.349 54.946 55.300 -0.009 0.000 1.110 1 M CB 0.418 33.012 32.600 -0.010 0.000 1.366 1 M HN 0.143 8.429 8.290 -0.006 0.000 0.415 2 Q N 2.004 121.799 119.800 -0.009 0.000 2.079 2 Q HA -0.207 4.129 4.340 -0.008 0.000 0.200 2 Q C 0.410 176.403 176.000 -0.011 0.000 0.974 2 Q CA 0.888 56.686 55.803 -0.009 0.000 0.840 2 Q CB 0.313 29.047 28.738 -0.007 0.000 0.898 2 Q HN 0.338 8.603 8.270 -0.008 0.000 0.430 3 Q N -0.330 119.461 119.800 -0.014 0.000 2.304 3 Q HA -0.036 4.294 4.340 -0.016 0.000 0.260 3 Q C -0.060 175.928 176.000 -0.020 0.000 0.965 3 Q CA 0.238 56.030 55.803 -0.018 0.000 0.898 3 Q CB 0.335 29.060 28.738 -0.022 0.000 1.196 3 Q HN -0.304 7.958 8.270 -0.013 0.000 0.402 4 G N 2.258 111.045 108.800 -0.021 0.000 3.581 4 G HA2 0.007 3.955 3.960 -0.021 0.000 0.248 4 G HA3 0.007 3.956 3.960 -0.019 0.000 0.248 4 G C -0.697 174.187 174.900 -0.026 0.000 1.037 4 G CA 0.140 45.227 45.100 -0.021 0.000 0.902 4 G HN 0.343 8.621 8.290 -0.021 0.000 0.512 5 Q N 0.254 120.036 119.800 -0.031 0.000 2.227 5 Q HA 0.175 4.491 4.340 -0.039 0.000 0.245 5 Q C 0.037 176.009 176.000 -0.047 0.000 0.926 5 Q CA -0.466 55.313 55.803 -0.040 0.000 0.895 5 Q CB 1.238 29.949 28.738 -0.046 0.000 1.230 5 Q HN -0.600 7.653 8.270 -0.029 0.000 0.450 6 M N 3.128 122.696 119.600 -0.054 0.000 2.117 6 M HA -0.232 4.221 4.480 -0.044 0.000 0.262 6 M C -0.547 175.711 176.300 -0.069 0.000 1.065 6 M CA 0.742 56.009 55.300 -0.055 0.000 1.114 6 M CB -0.499 32.069 32.600 -0.053 0.000 1.361 6 M HN 0.284 8.542 8.290 -0.054 0.000 0.408 7 A N -3.635 119.121 122.820 -0.107 0.000 5.570 7 A HA -0.276 3.902 4.320 -0.236 0.000 0.277 7 A C -1.074 176.365 177.584 -0.241 0.000 2.110 7 A CA 0.774 52.716 52.037 -0.159 0.000 0.715 7 A CB -1.466 17.523 19.000 -0.018 0.000 1.145 7 A HN -0.447 7.637 8.150 -0.110 0.000 0.356 8 Y N 1.949 122.206 120.300 -0.071 0.000 2.346 8 Y HA -0.047 4.476 4.550 -0.046 0.000 0.330 8 Y C -0.642 175.231 175.900 -0.045 0.000 1.178 8 Y CA 0.113 58.176 58.100 -0.061 0.000 1.331 8 Y CB 0.705 39.120 38.460 -0.077 0.000 1.253 8 Y HN 0.031 8.449 8.280 0.230 0.000 0.529 9 D N 0.587 121.052 120.400 0.108 0.000 2.336 9 D HA 0.115 4.824 4.640 0.116 0.000 0.248 9 D C -0.679 175.677 176.300 0.094 0.000 1.326 9 D CA -0.699 53.354 54.000 0.089 0.000 0.973 9 D CB -0.287 40.534 40.800 0.034 0.000 1.255 9 D HN 0.031 8.460 8.370 0.099 0.000 0.558 10 R N 3.719 124.291 120.500 0.120 0.000 2.053 10 R HA -0.173 4.205 4.340 0.064 0.000 0.174 10 R C -0.270 176.070 176.300 0.067 0.000 0.971 10 R CA 1.270 57.418 56.100 0.081 0.000 1.242 10 R CB 0.244 30.586 30.300 0.070 0.000 0.679 10 R HN 0.606 8.982 8.270 0.178 0.000 0.567 11 A N -2.887 119.972 122.820 0.065 0.000 2.775 11 A HA 0.187 4.532 4.320 0.042 0.000 0.305 11 A C -1.886 175.714 177.584 0.026 0.000 1.082 11 A CA -0.628 51.434 52.037 0.042 0.000 0.591 11 A CB 1.194 20.214 19.000 0.034 0.000 1.472 11 A HN -0.225 7.969 8.150 0.075 0.000 0.636 12 I N 0.104 120.679 120.570 0.008 0.000 2.498 12 I HA 0.208 4.365 4.170 -0.022 0.000 0.290 12 I C -0.170 175.925 176.117 -0.037 0.000 1.032 12 I CA 0.177 61.468 61.300 -0.014 0.000 1.073 12 I CB 1.876 39.874 38.000 -0.003 0.000 1.251 12 I HN -0.119 8.097 8.210 0.011 0.000 0.426 13 T N 5.027 119.532 114.554 -0.082 0.000 4.466 13 T HA -0.255 3.986 4.350 -0.181 0.000 0.322 13 T C -1.674 172.962 174.700 -0.107 0.000 0.836 13 T CA 1.178 63.206 62.100 -0.119 0.000 2.023 13 T CB -0.439 68.382 68.868 -0.080 0.000 1.915 13 T HN 0.427 8.611 8.240 -0.094 0.000 0.947 14 V N 1.128 120.977 119.914 -0.107 0.000 2.376 14 V HA 0.126 4.259 4.120 0.022 0.000 0.287 14 V C -0.610 175.454 176.094 -0.049 0.000 1.015 14 V CA -0.936 61.347 62.300 -0.028 0.000 0.834 14 V CB 1.080 32.918 31.823 0.025 0.000 1.001 14 V HN -0.541 7.556 8.190 -0.117 0.022 0.428 15 F N 8.490 128.439 119.950 -0.001 0.000 2.471 15 F HA 0.077 4.739 4.527 -0.045 -0.162 0.353 15 F C 0.830 176.644 175.800 0.022 0.000 1.113 15 F CA 0.514 58.504 58.000 -0.018 0.000 1.262 15 F CB 1.112 40.092 39.000 -0.034 0.000 1.146 15 F HN 0.209 8.654 8.300 0.242 0.000 0.578 16 S N 3.410 119.243 115.700 0.222 0.000 2.614 16 S HA 0.243 4.870 4.470 0.262 0.000 0.265 16 S C -0.337 174.365 174.600 0.169 0.000 1.303 16 S CA -1.137 57.203 58.200 0.234 0.000 1.000 16 S CB -0.254 63.113 63.200 0.278 0.000 0.935 16 S HN 0.571 8.923 8.310 0.156 0.051 0.551 17 P HA -0.121 4.343 4.420 0.073 0.000 0.223 17 P C -1.306 176.029 177.300 0.058 0.000 1.144 17 P CA 1.974 65.126 63.100 0.088 0.000 0.783 17 P CB -0.258 31.490 31.700 0.080 0.000 0.771 18 D N -5.615 114.825 120.400 0.067 0.000 2.349 18 D HA -0.086 4.564 4.640 0.015 0.000 0.214 18 D C 0.772 177.069 176.300 -0.004 0.000 1.063 18 D CA -0.472 53.542 54.000 0.024 0.000 0.847 18 D CB -0.889 39.928 40.800 0.029 0.000 0.933 18 D HN -0.435 7.929 8.370 0.100 0.066 0.513 19 G N 1.400 110.215 108.800 0.025 0.000 2.204 19 G HA2 -0.494 3.486 3.960 0.033 0.000 0.244 19 G HA3 -0.494 3.437 3.960 -0.049 0.000 0.244 19 G C -1.387 173.604 174.900 0.151 0.000 1.062 19 G CA 0.210 45.334 45.100 0.040 0.000 0.798 19 G HN 0.207 8.345 8.290 0.060 0.187 0.496 20 R N -1.998 118.535 120.500 0.056 0.000 2.803 20 R HA 0.313 4.624 4.340 -0.049 0.000 0.276 20 R C -1.921 174.200 176.300 -0.298 0.000 0.978 20 R CA -1.825 54.169 56.100 -0.177 0.000 0.939 20 R CB 3.229 33.216 30.300 -0.521 0.000 1.179 20 R HN -0.001 8.346 8.270 0.032 -0.058 0.472 21 L N 2.574 123.580 121.223 -0.362 0.000 2.353 21 L HA 0.351 4.457 4.340 -0.391 0.000 0.269 21 L C 0.338 176.991 176.870 -0.361 0.000 1.085 21 L CA -2.771 51.836 54.840 -0.388 0.000 0.938 21 L CB -2.184 39.647 42.059 -0.379 0.000 1.312 21 L HN 0.754 8.813 8.230 -0.285 0.000 0.429 22 F N 4.878 124.650 119.950 -0.296 0.000 2.154 22 F HA -0.542 3.701 4.527 -0.474 0.000 0.301 22 F C 1.520 176.870 175.800 -0.750 0.000 1.087 22 F CA 5.008 62.689 58.000 -0.532 0.000 1.274 22 F CB -0.172 38.517 39.000 -0.518 0.000 1.009 22 F HN -0.281 7.905 8.300 -0.190 0.000 0.485 23 Q N -1.961 117.675 119.800 -0.275 0.000 2.096 23 Q HA -0.345 3.900 4.340 -0.159 0.000 0.204 23 Q C 2.537 178.469 176.000 -0.113 0.000 0.982 23 Q CA 3.258 58.960 55.803 -0.170 0.000 0.850 23 Q CB -1.048 27.655 28.738 -0.058 0.000 0.901 23 Q HN -0.063 8.100 8.270 -0.164 0.008 0.422 24 V N 0.481 120.319 119.914 -0.127 0.000 2.490 24 V HA -0.401 3.706 4.120 -0.022 0.000 0.250 24 V C 1.613 177.674 176.094 -0.055 0.000 1.061 24 V CA 3.111 65.369 62.300 -0.070 0.000 1.064 24 V CB -0.489 31.284 31.823 -0.084 0.000 0.670 24 V HN -0.462 7.626 8.190 -0.170 0.000 0.461 25 E N 0.789 120.913 120.200 -0.126 0.000 2.015 25 E HA -0.324 4.013 4.350 -0.021 0.000 0.191 25 E C 2.758 179.421 176.600 0.105 0.000 0.991 25 E CA 3.298 59.665 56.400 -0.054 0.000 0.802 25 E CB -0.476 29.155 29.700 -0.115 0.000 0.759 25 E HN -0.343 7.777 8.360 -0.215 0.111 0.447 26 Y N -1.330 119.022 120.300 0.087 0.000 2.256 26 Y HA -0.327 4.265 4.550 0.069 0.000 0.288 26 Y C 2.223 178.149 175.900 0.043 0.000 1.155 26 Y CA 0.522 58.663 58.100 0.068 0.000 1.203 26 Y CB -1.533 36.968 38.460 0.070 0.000 0.980 26 Y HN 0.377 8.482 8.280 -0.292 0.000 0.530 27 A N -0.840 122.083 122.820 0.172 0.000 1.858 27 A HA -0.436 3.946 4.320 0.103 0.000 0.216 27 A C 1.726 179.360 177.584 0.084 0.000 1.190 27 A CA 3.008 55.107 52.037 0.103 0.000 0.617 27 A CB -0.678 18.362 19.000 0.067 0.000 0.827 27 A HN 0.091 8.230 8.150 0.131 0.090 0.443 28 R N -2.634 117.911 120.500 0.076 0.000 2.119 28 R HA -0.464 3.903 4.340 0.044 0.000 0.246 28 R C 2.664 179.003 176.300 0.064 0.000 1.146 28 R CA 3.465 59.600 56.100 0.059 0.000 0.962 28 R CB -0.427 29.903 30.300 0.051 0.000 0.863 28 R HN -0.460 7.783 8.270 0.071 0.070 0.442 29 E N -1.634 118.622 120.200 0.094 0.000 2.070 29 E HA -0.328 4.061 4.350 0.066 0.000 0.197 29 E C 2.046 178.677 176.600 0.050 0.000 1.004 29 E CA 2.765 59.212 56.400 0.078 0.000 0.805 29 E CB -0.808 28.950 29.700 0.097 0.000 0.744 29 E HN -0.481 7.865 8.360 0.129 0.091 0.451 30 A N -2.626 120.226 122.820 0.054 0.000 1.948 30 A HA -0.195 4.141 4.320 0.026 0.000 0.220 30 A C 2.616 180.214 177.584 0.023 0.000 1.177 30 A CA 2.844 54.902 52.037 0.035 0.000 0.636 30 A CB -0.843 18.180 19.000 0.038 0.000 0.815 30 A HN -0.253 7.865 8.150 0.074 0.076 0.449 31 V N -4.033 115.896 119.914 0.024 0.000 2.809 31 V HA -0.286 3.837 4.120 0.004 0.000 0.256 31 V C 0.805 176.902 176.094 0.004 0.000 1.080 31 V CA 2.405 64.710 62.300 0.010 0.000 1.102 31 V CB -0.155 31.672 31.823 0.007 0.000 0.705 31 V HN -0.606 7.491 8.190 0.035 0.114 0.475 32 K N -0.070 120.337 120.400 0.013 0.000 2.211 32 K HA -0.245 4.078 4.320 0.004 0.000 0.203 32 K C 1.840 178.443 176.600 0.005 0.000 1.050 32 K CA 3.198 59.490 56.287 0.010 0.000 0.945 32 K CB -0.312 32.200 32.500 0.020 0.000 0.732 32 K HN -0.488 7.647 8.250 0.023 0.128 0.451 33 K N -4.052 116.352 120.400 0.006 0.000 2.458 33 K HA -0.032 4.290 4.320 0.002 0.000 0.194 33 K C 0.551 177.149 176.600 -0.003 0.000 1.024 33 K CA -0.167 56.122 56.287 0.003 0.000 1.108 33 K CB -0.209 32.294 32.500 0.005 0.000 0.846 33 K HN -0.761 7.471 8.250 0.011 0.024 0.518 34 G N -0.325 108.471 108.800 -0.007 0.000 2.580 34 G HA2 0.099 4.053 3.960 -0.011 0.000 0.278 34 G HA3 0.099 4.050 3.960 -0.016 0.000 0.278 34 G C -1.275 173.614 174.900 -0.019 0.000 1.212 34 G CA -1.632 43.461 45.100 -0.013 0.000 0.939 34 G HN -0.673 7.415 8.290 -0.005 0.199 0.513 35 S N -2.018 113.668 115.700 -0.023 0.000 2.587 35 S HA -0.125 4.332 4.470 -0.023 0.000 0.260 35 S C -0.318 174.261 174.600 -0.036 0.000 1.353 35 S CA 0.144 58.328 58.200 -0.027 0.000 0.995 35 S CB 0.562 63.744 63.200 -0.030 0.000 0.912 35 S HN 0.177 8.473 8.310 -0.023 0.000 0.568 36 T N 1.904 116.436 114.554 -0.038 0.000 2.829 36 T HA 0.497 4.983 4.350 -0.049 -0.165 0.282 36 T C -1.898 172.766 174.700 -0.060 0.000 0.990 36 T CA -0.442 61.630 62.100 -0.047 0.000 1.028 36 T CB 1.212 70.056 68.868 -0.040 0.000 0.951 36 T HN 0.203 8.422 8.240 -0.034 0.000 0.460 37 A N 6.656 129.432 122.820 -0.074 0.000 2.609 37 A HA 0.849 5.210 4.320 -0.085 -0.091 0.291 37 A C -3.049 174.473 177.584 -0.103 0.000 1.096 37 A CA -0.980 51.005 52.037 -0.087 0.000 0.684 37 A CB 3.295 22.243 19.000 -0.087 0.000 1.282 37 A HN 0.828 8.933 8.150 -0.075 0.000 0.412 38 L N -6.282 114.877 121.223 -0.107 0.000 2.765 38 L HA 0.888 5.226 4.340 -0.138 -0.081 0.263 38 L C -2.079 174.731 176.870 -0.100 0.000 1.068 38 L CA -1.259 53.510 54.840 -0.119 0.000 0.903 38 L CB 3.597 45.583 42.059 -0.122 0.000 1.512 38 L HN 1.032 9.094 8.230 -0.101 0.107 0.404 39 G N -4.447 104.294 108.800 -0.099 0.000 2.673 39 G HA2 0.787 4.786 3.960 -0.031 0.000 0.292 39 G HA3 0.787 4.737 3.960 -0.038 -0.013 0.292 39 G C -3.322 171.546 174.900 -0.052 0.000 1.450 39 G CA 0.412 45.481 45.100 -0.052 0.000 0.837 39 G HN 0.316 8.529 8.290 -0.129 0.000 0.505 40 M N -3.712 115.898 119.600 0.016 0.000 2.413 40 M HA 0.436 4.879 4.480 -0.062 0.000 0.287 40 M C -1.956 174.413 176.300 0.116 0.000 1.186 40 M CA -0.219 55.099 55.300 0.031 0.000 0.927 40 M CB 4.239 36.891 32.600 0.085 0.000 1.715 40 M HN -0.142 8.182 8.290 0.056 0.000 0.478 41 K N 1.044 121.489 120.400 0.075 0.000 2.270 41 K HA 0.245 4.597 4.320 -0.122 -0.105 0.276 41 K C -0.314 176.416 176.600 0.217 0.000 1.023 41 K CA 1.111 57.416 56.287 0.029 0.000 0.955 41 K CB 1.037 33.547 32.500 0.016 0.000 0.975 41 K HN 0.334 8.598 8.250 0.024 0.000 0.471 42 F N -0.934 119.075 119.950 0.098 0.000 3.231 42 F HA 0.696 5.287 4.527 0.107 0.000 0.338 42 F C 0.635 176.465 175.800 0.049 0.000 1.331 42 F CA -2.790 55.259 58.000 0.082 0.000 1.035 42 F CB 1.077 40.113 39.000 0.060 0.000 1.578 42 F HN 0.444 8.473 8.300 -0.451 0.000 0.500 43 A N 1.163 124.375 122.820 0.653 0.000 1.906 43 A HA -0.415 4.038 4.320 0.221 0.000 0.236 43 A C 0.294 177.981 177.584 0.172 0.000 1.793 43 A CA 2.860 55.121 52.037 0.374 0.000 0.813 43 A CB -0.542 18.701 19.000 0.405 0.000 0.841 43 A HN 0.254 8.830 8.150 0.711 0.000 0.491 44 N N -1.625 117.151 118.700 0.126 0.000 2.547 44 N HA 0.064 4.782 4.740 -0.037 0.000 0.285 44 N C -1.391 174.011 175.510 -0.181 0.000 1.600 44 N CA -0.777 52.261 53.050 -0.020 0.000 0.872 44 N CB 0.705 39.218 38.487 0.044 0.000 1.412 44 N HN 0.073 8.644 8.380 0.318 0.000 0.489 45 G N -1.578 106.878 108.800 -0.573 0.000 2.494 45 G HA2 0.634 4.348 3.960 -0.411 0.000 0.308 45 G HA3 0.634 4.334 3.960 -0.655 -0.133 0.308 45 G C -3.753 170.424 174.900 -1.206 0.000 1.263 45 G CA 0.552 45.208 45.100 -0.741 0.000 0.840 45 G HN -0.929 6.916 8.290 -0.741 0.000 0.479 46 V N -1.390 118.015 119.914 -0.849 0.000 3.012 46 V HA 0.781 4.662 4.120 -0.611 -0.128 0.307 46 V C -2.702 173.338 176.094 -0.089 0.000 1.166 46 V CA -2.391 59.622 62.300 -0.479 0.000 0.974 46 V CB 4.331 36.042 31.823 -0.187 0.000 1.040 46 V HN 0.512 8.338 8.190 -0.608 0.000 0.428 47 L N 2.048 123.368 121.223 0.161 0.000 2.279 47 L HA 0.978 5.515 4.340 0.192 -0.082 0.262 47 L C -2.698 174.235 176.870 0.106 0.000 1.019 47 L CA -2.145 52.813 54.840 0.196 0.000 0.823 47 L CB 3.544 45.733 42.059 0.217 0.000 1.358 47 L HN -0.095 8.235 8.230 0.167 0.000 0.432 48 L N -1.225 120.039 121.223 0.068 0.000 2.401 48 L HA 0.699 5.156 4.340 -0.003 -0.119 0.266 48 L C -2.264 174.563 176.870 -0.072 0.000 0.991 48 L CA -0.814 54.033 54.840 0.012 0.000 0.818 48 L CB 5.094 47.182 42.059 0.049 0.000 1.321 48 L HN 0.948 9.108 8.230 0.066 0.109 0.413 49 I N 4.231 124.746 120.570 -0.092 0.000 2.649 49 I HA 0.895 5.198 4.170 -0.134 -0.213 0.289 49 I C -3.110 172.946 176.117 -0.101 0.000 1.222 49 I CA -1.460 59.766 61.300 -0.124 0.000 1.046 49 I CB 4.256 42.158 38.000 -0.163 0.000 1.272 49 I HN 1.095 9.258 8.210 -0.080 0.000 0.425 50 S N 7.289 122.935 115.700 -0.090 0.000 2.599 50 S HA 0.416 4.927 4.470 -0.078 -0.088 0.294 50 S C -2.071 172.491 174.600 -0.064 0.000 1.094 50 S CA -1.907 56.248 58.200 -0.075 0.000 0.931 50 S CB 2.676 65.836 63.200 -0.067 0.000 1.093 50 S HN 0.988 9.243 8.310 -0.092 0.000 0.488 51 D N 4.023 124.390 120.400 -0.055 0.000 2.339 51 D HA 0.157 4.771 4.640 -0.043 0.000 0.241 51 D C -1.177 175.103 176.300 -0.033 0.000 1.183 51 D CA -0.508 53.467 54.000 -0.042 0.000 0.859 51 D CB 0.875 41.653 40.800 -0.038 0.000 1.067 51 D HN 0.398 8.734 8.370 -0.056 0.000 0.484 52 K N 7.813 128.197 120.400 -0.027 0.000 2.206 52 K HA 0.033 4.340 4.320 -0.021 0.000 0.268 52 K C -1.358 175.234 176.600 -0.013 0.000 1.111 52 K CA -0.554 55.721 56.287 -0.020 0.000 0.955 52 K CB -0.324 32.167 32.500 -0.016 0.000 1.406 52 K HN -0.272 7.961 8.250 -0.028 0.000 0.427 53 K N 5.929 126.321 120.400 -0.013 0.000 2.267 53 K HA 0.029 4.345 4.320 -0.007 0.000 0.282 53 K C -1.062 175.535 176.600 -0.006 0.000 1.078 53 K CA -0.144 56.138 56.287 -0.009 0.000 0.903 53 K CB 0.560 33.054 32.500 -0.009 0.000 1.111 53 K HN -0.281 7.959 8.250 -0.016 0.000 0.475 54 V N 4.095 124.007 119.914 -0.003 0.000 2.732 54 V HA 0.067 4.185 4.120 -0.003 0.000 0.310 54 V C -0.891 175.203 176.094 -0.001 0.000 1.053 54 V CA -1.030 61.269 62.300 -0.002 0.000 0.957 54 V CB 1.773 33.596 31.823 -0.000 0.000 1.018 54 V HN 0.189 8.378 8.190 -0.002 0.000 0.452 55 R N 4.535 125.034 120.500 -0.001 0.000 1.776 55 R HA 0.154 4.493 4.340 -0.000 0.000 0.146 55 R C -0.286 176.014 176.300 0.001 0.000 2.057 55 R CA 0.229 56.329 56.100 -0.000 0.000 1.641 55 R CB 0.248 30.547 30.300 -0.001 0.000 1.256 55 R HN 0.092 8.361 8.270 -0.001 0.000 0.478 56 S N -1.063 114.637 115.700 0.001 0.000 2.584 56 S HA 0.141 4.611 4.470 0.001 0.000 0.270 56 S C 1.772 176.373 174.600 0.002 0.000 1.346 56 S CA -0.404 57.797 58.200 0.001 0.000 1.018 56 S CB 0.671 63.871 63.200 0.001 0.000 0.899 56 S HN -0.067 8.243 8.310 0.000 0.000 0.542 57 R N 2.195 122.696 120.500 0.002 0.000 2.115 57 R HA -0.143 4.199 4.340 0.003 0.000 0.226 57 R C 0.834 177.135 176.300 0.003 0.000 1.100 57 R CA 1.579 57.680 56.100 0.003 0.000 0.980 57 R CB -0.269 30.033 30.300 0.003 0.000 0.875 57 R HN 0.502 8.773 8.270 0.002 0.000 0.445 58 L N -3.029 118.195 121.223 0.002 0.000 2.633 58 L HA -0.108 4.233 4.340 0.002 0.000 0.235 58 L C 0.236 177.107 176.870 0.002 0.000 1.163 58 L CA 0.468 55.309 54.840 0.002 0.000 0.859 58 L CB -0.732 41.328 42.059 0.002 0.000 0.973 58 L HN -0.427 7.771 8.230 0.002 0.034 0.451 59 I N -1.303 119.268 120.570 0.002 0.000 2.532 59 I HA -0.046 4.125 4.170 0.001 0.000 0.292 59 I C 1.064 177.183 176.117 0.002 0.000 1.014 59 I CA -1.155 60.146 61.300 0.002 0.000 1.340 59 I CB 0.166 38.167 38.000 0.001 0.000 1.422 59 I HN -0.944 7.190 8.210 0.002 0.077 0.528 60 E N 7.652 127.853 120.200 0.002 0.000 2.594 60 E HA 0.027 4.379 4.350 0.003 0.000 0.300 60 E C -0.141 176.461 176.600 0.003 0.000 1.568 60 E CA -0.793 55.609 56.400 0.003 0.000 1.811 60 E CB -2.042 27.660 29.700 0.003 0.000 1.458 60 E HN 0.481 8.842 8.360 0.002 0.000 0.470 61 Q N 0.928 120.730 119.800 0.004 0.000 2.478 61 Q HA -0.683 3.659 4.340 0.004 0.000 0.462 61 Q C 0.705 176.707 176.000 0.004 0.000 0.601 61 Q CA 2.273 58.078 55.803 0.004 0.000 0.953 61 Q CB -1.933 26.809 28.738 0.007 0.000 2.612 61 Q HN 0.182 8.358 8.270 0.003 0.096 1.022 62 N N 1.462 120.166 118.700 0.006 0.000 2.165 62 N HA -0.459 4.284 4.740 0.006 0.000 0.198 62 N C 1.644 177.155 175.510 0.002 0.000 0.999 62 N CA 2.777 55.830 53.050 0.006 0.000 0.893 62 N CB -0.459 38.034 38.487 0.009 0.000 1.025 62 N HN 0.258 8.643 8.380 0.008 0.000 0.456 63 S N 0.341 116.042 115.700 0.002 0.000 2.441 63 S HA -0.313 4.157 4.470 0.001 0.000 0.242 63 S C 1.222 175.821 174.600 -0.002 0.000 1.018 63 S CA 2.903 61.104 58.200 0.000 0.000 0.988 63 S CB 0.014 63.215 63.200 0.001 0.000 0.778 63 S HN -0.247 8.031 8.310 0.003 0.034 0.498 64 I N 1.152 121.720 120.570 -0.003 0.000 2.664 64 I HA -0.027 4.139 4.170 -0.006 0.000 0.291 64 I C -2.172 173.939 176.117 -0.010 0.000 1.120 64 I CA -1.581 59.716 61.300 -0.006 0.000 1.503 64 I CB -0.440 37.556 38.000 -0.006 0.000 1.506 64 I HN -0.318 7.841 8.210 -0.002 0.050 0.621 65 E N 3.449 123.642 120.200 -0.011 0.000 2.324 65 E HA -0.139 4.483 4.350 -0.016 -0.282 0.271 65 E C -0.541 176.044 176.600 -0.025 0.000 1.028 65 E CA 0.197 56.587 56.400 -0.017 0.000 0.890 65 E CB 0.046 29.736 29.700 -0.017 0.000 1.004 65 E HN -0.561 7.718 8.360 -0.009 0.075 0.431 66 K N 3.595 123.976 120.400 -0.032 0.000 2.276 66 K HA 0.065 4.362 4.320 -0.038 0.000 0.198 66 K C 0.250 176.817 176.600 -0.055 0.000 1.052 66 K CA 0.840 57.102 56.287 -0.041 0.000 0.984 66 K CB 1.417 33.892 32.500 -0.043 0.000 0.836 66 K HN 0.219 8.981 8.250 -0.030 -0.530 0.490 67 I N 0.311 120.847 120.570 -0.057 0.000 2.312 67 I HA -0.096 4.138 4.170 -0.084 -0.115 0.291 67 I C -0.787 175.281 176.117 -0.082 0.000 1.031 67 I CA 0.179 61.434 61.300 -0.076 0.000 1.293 67 I CB -0.037 37.919 38.000 -0.073 0.000 1.403 67 I HN -0.302 8.254 8.210 -0.048 -0.375 0.484 68 Q N 7.562 127.309 119.800 -0.089 0.000 2.353 68 Q HA 0.376 4.671 4.340 -0.075 0.000 0.268 68 Q C -1.397 174.539 176.000 -0.106 0.000 1.045 68 Q CA -1.903 53.853 55.803 -0.078 0.000 0.811 68 Q CB 4.025 32.738 28.738 -0.042 0.000 1.305 68 Q HN 0.790 9.005 8.270 -0.091 0.000 0.447 69 L N 3.002 124.157 121.223 -0.112 0.000 2.326 69 L HA -0.005 4.209 4.340 -0.209 0.000 0.278 69 L C 0.324 177.166 176.870 -0.047 0.000 1.092 69 L CA 0.466 55.229 54.840 -0.130 0.000 0.810 69 L CB 0.728 42.713 42.059 -0.124 0.000 1.153 69 L HN 0.628 8.806 8.230 -0.086 0.000 0.439 70 I N 0.610 121.169 120.570 -0.019 0.000 3.708 70 I HA -0.000 4.177 4.170 0.012 0.000 0.302 70 I C -0.771 175.355 176.117 0.014 0.000 1.255 70 I CA 1.002 62.310 61.300 0.013 0.000 1.362 70 I CB 1.025 39.048 38.000 0.038 0.000 1.100 70 I HN 0.710 8.898 8.210 -0.037 0.000 0.434 71 D N -1.963 118.456 120.400 0.030 0.000 2.783 71 D HA -0.014 4.661 4.640 0.059 0.000 0.253 71 D C -1.530 174.834 176.300 0.107 0.000 1.206 71 D CA -0.187 53.858 54.000 0.076 0.000 0.740 71 D CB 1.897 42.759 40.800 0.103 0.000 1.313 71 D HN -0.627 7.751 8.370 0.013 0.000 0.427 72 D N 1.409 121.883 120.400 0.122 0.000 2.254 72 D HA -0.329 4.303 4.640 -0.014 0.000 0.201 72 D C 1.125 177.392 176.300 -0.055 0.000 0.998 72 D CA 3.216 57.221 54.000 0.009 0.000 0.885 72 D CB -0.056 40.700 40.800 -0.073 0.000 0.915 72 D HN 0.467 8.917 8.370 0.134 0.000 0.460 73 Y N -5.991 114.417 120.300 0.180 0.000 2.481 73 Y HA 0.030 4.743 4.550 0.271 0.000 0.247 73 Y C -1.346 174.745 175.900 0.318 0.000 1.151 73 Y CA -0.599 57.638 58.100 0.228 0.000 1.238 73 Y CB 0.418 38.939 38.460 0.103 0.000 1.179 73 Y HN -0.476 8.383 8.280 0.450 -0.309 0.524 74 V N -0.736 119.400 119.914 0.371 0.000 2.777 74 V HA 0.520 5.056 4.120 0.463 -0.138 0.306 74 V C -2.783 173.346 176.094 0.060 0.000 1.112 74 V CA -2.083 60.389 62.300 0.286 0.000 0.917 74 V CB 3.503 35.435 31.823 0.181 0.000 1.018 74 V HN -0.020 8.216 8.190 0.264 0.113 0.426 75 A N 7.064 129.878 122.820 -0.010 0.000 2.483 75 A HA 0.925 5.257 4.320 -0.100 -0.072 0.286 75 A C -2.891 174.732 177.584 0.066 0.000 1.207 75 A CA -2.301 49.650 52.037 -0.143 0.000 0.764 75 A CB 4.101 22.761 19.000 -0.566 0.000 1.341 75 A HN 0.759 9.010 8.150 0.168 0.000 0.428 76 A N -3.114 119.701 122.820 -0.008 0.000 2.574 76 A HA 1.108 5.576 4.320 -0.095 -0.205 0.297 76 A C -2.851 174.654 177.584 -0.132 0.000 1.062 76 A CA -0.937 51.051 52.037 -0.082 0.000 0.686 76 A CB 4.223 23.139 19.000 -0.140 0.000 1.285 76 A HN 0.852 8.963 8.150 -0.066 0.000 0.403 77 V N 1.548 121.357 119.914 -0.175 0.000 2.735 77 V HA 0.978 5.202 4.120 -0.113 -0.172 0.310 77 V C -1.846 174.145 176.094 -0.171 0.000 1.061 77 V CA -3.036 59.181 62.300 -0.138 0.000 0.913 77 V CB 4.337 36.094 31.823 -0.110 0.000 1.005 77 V HN 0.293 8.347 8.190 -0.228 0.000 0.428 78 T N 7.906 122.382 114.554 -0.129 0.000 2.901 78 T HA 0.548 4.909 4.350 -0.156 -0.105 0.293 78 T C -1.562 173.087 174.700 -0.084 0.000 1.084 78 T CA -1.763 60.263 62.100 -0.123 0.000 1.008 78 T CB 1.519 70.323 68.868 -0.107 0.000 1.170 78 T HN -0.064 8.115 8.240 -0.101 0.000 0.509 79 S N 2.349 118.006 115.700 -0.072 0.000 2.533 79 S HA 0.350 4.795 4.470 -0.041 0.000 0.271 79 S C -1.662 172.920 174.600 -0.030 0.000 1.143 79 S CA -0.180 57.992 58.200 -0.048 0.000 0.891 79 S CB 2.250 65.420 63.200 -0.051 0.000 1.105 79 S HN 0.846 9.108 8.310 -0.080 0.000 0.468 80 G N 3.882 112.672 108.800 -0.017 0.000 2.225 80 G HA2 -0.104 4.016 3.960 0.000 0.000 0.203 80 G HA3 -0.104 3.991 3.960 0.002 -0.134 0.203 80 G C -2.214 172.688 174.900 0.002 0.000 1.335 80 G CA -0.289 44.810 45.100 -0.002 0.000 1.183 80 G HN 0.047 8.326 8.290 -0.018 0.000 0.488 81 L N 3.155 124.385 121.223 0.011 0.000 2.500 81 L HA 0.197 4.541 4.340 0.007 0.000 0.272 81 L C 0.829 177.706 176.870 0.012 0.000 1.149 81 L CA -0.607 54.240 54.840 0.011 0.000 0.897 81 L CB -1.233 40.834 42.059 0.014 0.000 1.178 81 L HN 0.206 8.447 8.230 0.018 0.000 0.473 82 V N 9.293 129.211 119.914 0.006 0.000 2.252 82 V HA -0.518 3.603 4.120 0.001 0.000 0.249 82 V C 1.086 177.188 176.094 0.014 0.000 1.056 82 V CA 4.257 66.560 62.300 0.005 0.000 1.022 82 V CB 0.118 31.941 31.823 0.001 0.000 0.641 82 V HN 0.396 8.587 8.190 0.003 0.000 0.445 83 A N -2.927 119.902 122.820 0.015 0.000 1.865 83 A HA -0.339 3.994 4.320 0.022 0.000 0.217 83 A C 1.662 179.271 177.584 0.043 0.000 1.191 83 A CA 3.408 55.459 52.037 0.022 0.000 0.623 83 A CB -1.143 17.865 19.000 0.013 0.000 0.826 83 A HN 0.122 8.279 8.150 0.010 0.000 0.444 84 D N -0.389 120.042 120.400 0.052 0.000 2.149 84 D HA -0.332 4.399 4.640 0.153 0.000 0.198 84 D C 2.002 178.377 176.300 0.124 0.000 0.990 84 D CA 3.141 57.215 54.000 0.124 0.000 0.839 84 D CB -0.621 40.256 40.800 0.127 0.000 0.948 84 D HN -0.265 8.124 8.370 0.032 0.000 0.460 85 A N 0.709 123.564 122.820 0.058 0.000 1.845 85 A HA -0.358 3.965 4.320 0.005 0.000 0.215 85 A C 1.343 178.941 177.584 0.025 0.000 1.195 85 A CA 3.185 55.234 52.037 0.020 0.000 0.616 85 A CB -0.395 18.603 19.000 -0.004 0.000 0.832 85 A HN -0.073 8.104 8.150 0.045 0.000 0.443 86 R N -0.670 119.848 120.500 0.030 0.000 2.122 86 R HA -0.368 3.987 4.340 0.024 0.000 0.236 86 R C 1.978 178.310 176.300 0.053 0.000 1.129 86 R CA 3.313 59.433 56.100 0.034 0.000 0.925 86 R CB -0.046 30.272 30.300 0.030 0.000 0.850 86 R HN -0.244 8.042 8.270 0.027 0.000 0.431 87 V N -0.614 119.342 119.914 0.071 0.000 2.324 87 V HA -0.336 3.837 4.120 0.089 0.000 0.250 87 V C 1.431 177.580 176.094 0.092 0.000 1.060 87 V CA 3.276 65.632 62.300 0.094 0.000 1.042 87 V CB -0.474 31.420 31.823 0.119 0.000 0.650 87 V HN -0.290 7.941 8.190 0.069 0.000 0.450 88 L N -0.579 120.667 121.223 0.038 0.000 2.046 88 L HA -0.318 3.936 4.340 -0.144 0.000 0.208 88 L C 2.235 179.165 176.870 0.100 0.000 1.077 88 L CA 3.188 57.999 54.840 -0.049 0.000 0.747 88 L CB -0.432 41.524 42.059 -0.172 0.000 0.896 88 L HN -0.532 7.647 8.230 0.052 0.082 0.432 89 V N 0.194 120.159 119.914 0.085 0.000 2.295 89 V HA -0.576 3.638 4.120 0.157 0.000 0.246 89 V C 2.210 178.370 176.094 0.109 0.000 1.049 89 V CA 4.977 67.342 62.300 0.107 0.000 1.024 89 V CB -1.155 30.703 31.823 0.058 0.000 0.648 89 V HN 0.471 8.601 8.190 0.053 0.092 0.447 90 D N -0.202 120.255 120.400 0.094 0.000 2.149 90 D HA -0.333 4.334 4.640 0.045 0.000 0.198 90 D C 2.168 178.520 176.300 0.086 0.000 0.990 90 D CA 3.686 57.731 54.000 0.075 0.000 0.839 90 D CB -0.339 40.504 40.800 0.071 0.000 0.948 90 D HN 0.012 8.433 8.370 0.085 0.000 0.460 91 F N 0.852 120.799 119.950 -0.005 0.000 2.069 91 F HA -0.468 4.055 4.527 -0.008 0.000 0.298 91 F C 0.690 176.477 175.800 -0.022 0.000 1.113 91 F CA 3.611 61.601 58.000 -0.017 0.000 1.214 91 F CB -0.091 38.884 39.000 -0.043 0.000 0.978 91 F HN -0.163 8.289 8.300 0.262 0.005 0.474 92 A N -0.326 122.531 122.820 0.061 0.000 1.892 92 A HA -0.517 3.697 4.320 -0.178 0.000 0.218 92 A C 1.980 179.472 177.584 -0.154 0.000 1.188 92 A CA 3.297 55.293 52.037 -0.069 0.000 0.631 92 A CB -0.780 18.280 19.000 0.100 0.000 0.822 92 A HN -0.003 8.310 8.150 0.272 0.000 0.447 93 R N -1.897 118.561 120.500 -0.070 0.000 2.097 93 R HA -0.365 3.945 4.340 -0.050 0.000 0.236 93 R C 2.688 178.920 176.300 -0.114 0.000 1.135 93 R CA 3.601 59.662 56.100 -0.066 0.000 0.934 93 R CB 0.036 30.322 30.300 -0.023 0.000 0.846 93 R HN -0.171 8.032 8.270 -0.006 0.063 0.431 94 I N -3.261 117.220 120.570 -0.149 0.000 2.226 94 I HA -0.414 3.691 4.170 -0.107 0.000 0.245 94 I C 1.394 177.375 176.117 -0.228 0.000 1.100 94 I CA 3.800 65.004 61.300 -0.161 0.000 1.374 94 I CB -0.402 37.511 38.000 -0.144 0.000 1.057 94 I HN -0.103 8.026 8.210 -0.135 0.000 0.413 95 S N 0.818 116.285 115.700 -0.388 0.000 2.387 95 S HA -0.494 3.752 4.470 -0.374 0.000 0.230 95 S C 2.148 176.611 174.600 -0.229 0.000 1.035 95 S CA 3.604 61.560 58.200 -0.407 0.000 1.014 95 S CB -0.217 62.601 63.200 -0.637 0.000 0.836 95 S HN 0.229 8.243 8.310 -0.493 0.000 0.466 96 A N 1.095 123.800 122.820 -0.191 0.000 1.877 96 A HA -0.392 3.852 4.320 -0.127 0.000 0.216 96 A C 1.993 179.526 177.584 -0.085 0.000 1.186 96 A CA 3.116 55.078 52.037 -0.125 0.000 0.620 96 A CB -0.665 18.276 19.000 -0.098 0.000 0.822 96 A HN 0.276 8.103 8.150 -0.210 0.198 0.443 97 Q N -1.871 117.879 119.800 -0.084 0.000 2.096 97 Q HA -0.413 3.903 4.340 -0.040 0.000 0.204 97 Q C 2.787 178.751 176.000 -0.060 0.000 0.982 97 Q CA 2.648 58.415 55.803 -0.059 0.000 0.850 97 Q CB -0.808 27.896 28.738 -0.056 0.000 0.901 97 Q HN -0.348 7.802 8.270 -0.098 0.061 0.422 98 Q N -0.579 119.172 119.800 -0.082 0.000 2.014 98 Q HA -0.433 3.864 4.340 -0.072 0.000 0.207 98 Q C 2.119 178.089 176.000 -0.051 0.000 0.993 98 Q CA 3.396 59.153 55.803 -0.076 0.000 0.850 98 Q CB -0.412 28.269 28.738 -0.094 0.000 0.916 98 Q HN 0.223 8.429 8.270 -0.108 0.000 0.417 99 E N -0.577 119.609 120.200 -0.023 0.000 2.118 99 E HA -0.390 4.026 4.350 0.109 0.000 0.195 99 E C 2.330 178.971 176.600 0.067 0.000 0.992 99 E CA 2.927 59.366 56.400 0.065 0.000 0.804 99 E CB -0.281 29.462 29.700 0.071 0.000 0.741 99 E HN -0.630 7.700 8.360 -0.050 0.000 0.458 100 K N -1.021 119.387 120.400 0.012 0.000 2.026 100 K HA -0.301 4.034 4.320 0.024 0.000 0.208 100 K C 2.918 179.515 176.600 -0.006 0.000 1.048 100 K CA 3.175 59.466 56.287 0.007 0.000 0.929 100 K CB 0.062 32.557 32.500 -0.010 0.000 0.713 100 K HN -0.572 7.596 8.250 -0.012 0.075 0.439 101 V N -1.345 118.551 119.914 -0.030 0.000 2.809 101 V HA -0.259 3.841 4.120 -0.034 0.000 0.256 101 V C 1.157 177.204 176.094 -0.079 0.000 1.080 101 V CA 2.719 64.992 62.300 -0.046 0.000 1.102 101 V CB 0.275 32.070 31.823 -0.048 0.000 0.705 101 V HN 0.032 8.202 8.190 -0.034 0.000 0.475 102 T N -0.671 113.810 114.554 -0.121 0.000 2.925 102 T HA -0.146 4.084 4.350 -0.201 0.000 0.245 102 T C 1.255 175.776 174.700 -0.299 0.000 1.025 102 T CA 2.418 64.366 62.100 -0.253 0.000 1.149 102 T CB 0.548 69.179 68.868 -0.395 0.000 0.866 102 T HN -0.261 7.901 8.240 -0.093 0.022 0.437 103 Y N -1.131 119.147 120.300 -0.036 0.000 2.517 103 Y HA 0.038 4.570 4.550 -0.031 0.000 0.281 103 Y C 0.676 176.554 175.900 -0.036 0.000 1.125 103 Y CA 0.810 58.889 58.100 -0.035 0.000 1.283 103 Y CB 0.593 39.029 38.460 -0.040 0.000 1.042 103 Y HN -0.140 8.117 8.280 -0.039 0.000 0.547 104 G N -2.376 106.470 108.800 0.076 0.000 2.195 104 G HA2 -0.409 3.615 3.960 0.010 0.000 0.246 104 G HA3 -0.409 3.570 3.960 0.032 0.000 0.246 104 G C -0.636 174.280 174.900 0.026 0.000 0.984 104 G CA -0.021 45.099 45.100 0.034 0.000 0.633 104 G HN -0.166 8.024 8.290 0.044 0.127 0.525 105 S N -1.369 114.361 115.700 0.049 0.000 2.560 105 S HA 0.062 4.519 4.470 -0.021 0.000 0.283 105 S C -1.645 172.951 174.600 -0.007 0.000 1.141 105 S CA -0.293 57.906 58.200 -0.001 0.000 0.902 105 S CB 1.575 64.757 63.200 -0.030 0.000 1.104 105 S HN -0.427 7.875 8.310 0.112 0.075 0.454 106 L N 8.790 129.989 121.223 -0.040 0.000 2.395 106 L HA 0.185 4.707 4.340 -0.043 -0.208 0.268 106 L C -0.615 176.208 176.870 -0.080 0.000 1.223 106 L CA -0.967 53.841 54.840 -0.054 0.000 1.093 106 L CB -1.452 40.574 42.059 -0.054 0.000 1.349 106 L HN 0.498 8.695 8.230 -0.055 0.000 0.427 107 V N 5.498 125.357 119.914 -0.092 0.000 2.261 107 V HA -0.221 3.846 4.120 -0.088 0.000 0.246 107 V C -1.071 174.972 176.094 -0.085 0.000 1.047 107 V CA 2.297 64.539 62.300 -0.097 0.000 1.015 107 V CB 0.738 32.489 31.823 -0.120 0.000 0.642 107 V HN -0.330 7.875 8.190 -0.095 -0.072 0.446 108 N N -3.079 115.562 118.700 -0.100 0.000 2.443 108 N HA 0.281 5.268 4.740 -0.054 -0.279 0.269 108 N C 1.167 176.610 175.510 -0.111 0.000 0.985 108 N CA -2.065 50.935 53.050 -0.084 0.000 0.921 108 N CB 0.633 39.070 38.487 -0.084 0.000 1.195 108 N HN -0.684 7.623 8.380 -0.122 0.000 0.492 109 I N 6.828 127.341 120.570 -0.095 0.000 2.394 109 I HA -0.380 3.694 4.170 -0.160 0.000 0.251 109 I C 0.260 176.184 176.117 -0.321 0.000 1.136 109 I CA 2.386 63.593 61.300 -0.155 0.000 1.425 109 I CB 0.357 38.321 38.000 -0.061 0.000 1.079 109 I HN 0.212 8.687 8.210 -0.045 -0.292 0.425 110 E N 0.190 120.184 120.200 -0.344 0.000 2.130 110 E HA -0.515 3.032 4.350 -1.339 0.000 0.196 110 E C 1.719 178.067 176.600 -0.419 0.000 0.998 110 E CA 3.685 59.715 56.400 -0.616 0.000 0.806 110 E CB -0.534 29.020 29.700 -0.244 0.000 0.738 110 E HN 0.433 8.979 8.360 -0.170 -0.288 0.459 111 N N -0.857 117.689 118.700 -0.257 0.000 2.142 111 N HA -0.245 4.398 4.740 -0.163 0.000 0.186 111 N C 2.161 177.542 175.510 -0.215 0.000 1.023 111 N CA 2.943 55.878 53.050 -0.191 0.000 0.852 111 N CB 0.075 38.480 38.487 -0.137 0.000 0.998 111 N HN -0.674 7.461 8.380 -0.214 0.117 0.424 112 L N 0.703 121.767 121.223 -0.266 0.000 2.013 112 L HA -0.291 3.914 4.340 -0.224 0.000 0.212 112 L C 1.055 177.693 176.870 -0.388 0.000 1.073 112 L CA 2.900 57.558 54.840 -0.304 0.000 0.753 112 L CB -0.414 41.434 42.059 -0.351 0.000 0.890 112 L HN -0.575 7.407 8.230 -0.264 0.090 0.432 113 V N -1.494 118.097 119.914 -0.539 0.000 2.358 113 V HA -0.626 3.091 4.120 -0.671 0.000 0.246 113 V C 1.240 177.222 176.094 -0.187 0.000 1.047 113 V CA 4.214 66.211 62.300 -0.505 0.000 1.035 113 V CB -0.371 31.177 31.823 -0.459 0.000 0.658 113 V HN -0.621 7.230 8.190 -0.565 0.000 0.452 114 K N -0.516 119.776 120.400 -0.180 0.000 2.074 114 K HA -0.431 3.871 4.320 -0.030 0.000 0.209 114 K C 2.220 178.812 176.600 -0.013 0.000 1.048 114 K CA 4.040 60.285 56.287 -0.069 0.000 0.926 114 K CB -0.443 32.016 32.500 -0.068 0.000 0.713 114 K HN -0.211 7.816 8.250 -0.264 0.065 0.444 115 R N -1.059 119.430 120.500 -0.017 0.000 2.070 115 R HA -0.316 4.074 4.340 0.082 0.000 0.233 115 R C 2.194 178.601 176.300 0.178 0.000 1.137 115 R CA 3.440 59.587 56.100 0.079 0.000 0.945 115 R CB -0.112 30.227 30.300 0.065 0.000 0.845 115 R HN -0.326 7.897 8.270 -0.077 0.000 0.430 116 V N -0.891 119.134 119.914 0.185 0.000 2.490 116 V HA -0.437 3.878 4.120 0.325 0.000 0.250 116 V C 0.894 177.007 176.094 0.031 0.000 1.061 116 V CA 3.421 65.847 62.300 0.210 0.000 1.064 116 V CB -0.089 31.884 31.823 0.250 0.000 0.670 116 V HN -0.666 7.562 8.190 0.063 0.000 0.461 117 A N 0.330 123.185 122.820 0.058 0.000 1.858 117 A HA -0.288 4.057 4.320 0.043 0.000 0.216 117 A C 1.728 179.331 177.584 0.031 0.000 1.190 117 A CA 3.174 55.239 52.037 0.047 0.000 0.617 117 A CB -0.753 18.286 19.000 0.065 0.000 0.827 117 A HN 0.257 8.359 8.150 0.062 0.085 0.443 118 D N -1.779 118.650 120.400 0.047 0.000 2.182 118 D HA -0.366 4.316 4.640 0.071 0.000 0.201 118 D C 2.674 179.010 176.300 0.059 0.000 0.986 118 D CA 3.249 57.287 54.000 0.063 0.000 0.847 118 D CB -1.003 39.842 40.800 0.074 0.000 0.942 118 D HN 0.130 8.531 8.370 0.052 0.000 0.467 119 Q N -0.421 119.365 119.800 -0.023 0.000 2.002 119 Q HA -0.302 4.020 4.340 -0.030 0.000 0.204 119 Q C 2.416 178.419 176.000 0.006 0.000 0.988 119 Q CA 2.796 58.525 55.803 -0.124 0.000 0.843 119 Q CB -0.143 28.246 28.738 -0.582 0.000 0.908 119 Q HN -0.241 7.930 8.270 -0.017 0.090 0.420 120 M N -1.165 118.367 119.600 -0.113 0.000 2.080 120 M HA -0.405 4.055 4.480 -0.033 0.000 0.260 120 M C 2.675 179.087 176.300 0.186 0.000 1.068 120 M CA 3.772 59.065 55.300 -0.010 0.000 1.109 120 M CB -0.226 32.330 32.600 -0.072 0.000 1.342 120 M HN -0.460 7.724 8.290 -0.177 0.000 0.405 121 Q N -1.076 118.803 119.800 0.133 0.000 2.234 121 Q HA -0.316 4.091 4.340 0.112 0.000 0.206 121 Q C 3.002 179.115 176.000 0.188 0.000 0.980 121 Q CA 2.905 58.788 55.803 0.134 0.000 0.869 121 Q CB -0.581 28.214 28.738 0.096 0.000 0.912 121 Q HN -0.051 8.268 8.270 0.082 0.000 0.436 122 Q N -0.313 119.652 119.800 0.274 0.000 2.084 122 Q HA -0.294 4.248 4.340 0.337 0.000 0.202 122 Q C 2.107 178.284 176.000 0.294 0.000 0.978 122 Q CA 3.154 59.155 55.803 0.330 0.000 0.844 122 Q CB -0.017 28.889 28.738 0.280 0.000 0.898 122 Q HN -0.380 7.930 8.270 0.259 0.116 0.426 123 Y N -5.041 115.359 120.300 0.167 0.000 2.574 123 Y HA -0.190 4.439 4.550 0.132 0.000 0.294 123 Y C 0.797 176.730 175.900 0.056 0.000 1.142 123 Y CA 1.593 59.766 58.100 0.121 0.000 1.314 123 Y CB -0.709 37.821 38.460 0.116 0.000 0.991 123 Y HN -0.602 8.179 8.280 0.835 0.000 0.555 124 T N -3.312 111.342 114.554 0.166 0.000 3.055 124 T HA -0.166 4.201 4.350 0.027 0.000 0.265 124 T C -0.109 174.552 174.700 -0.065 0.000 1.111 124 T CA 3.018 65.139 62.100 0.035 0.000 1.118 124 T CB 0.633 69.514 68.868 0.022 0.000 0.909 124 T HN -0.483 7.691 8.240 0.207 0.190 0.501 125 Q N -1.762 117.984 119.800 -0.089 0.000 2.143 125 Q HA 0.208 4.434 4.340 -0.190 0.000 0.242 125 Q C 0.853 176.676 176.000 -0.294 0.000 0.790 125 Q CA -0.279 55.392 55.803 -0.220 0.000 0.954 125 Q CB 1.692 30.258 28.738 -0.286 0.000 1.155 125 Q HN -0.612 7.509 8.270 -0.023 0.135 0.474 126 Y N 3.562 123.814 120.300 -0.080 0.000 2.971 126 Y HA -0.140 4.366 4.550 -0.073 0.000 0.384 126 Y C 0.701 176.539 175.900 -0.103 0.000 1.166 126 Y CA 0.919 58.956 58.100 -0.105 0.000 1.973 126 Y CB -2.337 36.026 38.460 -0.160 0.000 2.082 126 Y HN -0.187 8.094 8.280 0.001 0.000 0.420 127 G N 2.382 111.189 108.800 0.011 0.000 2.661 127 G HA2 -0.462 3.490 3.960 -0.013 0.000 0.327 127 G HA3 -0.462 3.511 3.960 0.022 0.000 0.327 127 G C 0.291 175.191 174.900 0.001 0.000 1.320 127 G CA -0.330 44.773 45.100 0.006 0.000 0.997 127 G HN -0.357 7.820 8.290 -0.052 0.082 0.543 128 G N 0.582 109.383 108.800 0.001 0.000 2.554 128 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.280 128 G HA3 -0.137 3.819 3.960 -0.006 0.000 0.280 128 G C -1.194 173.695 174.900 -0.017 0.000 0.635 128 G CA 0.936 46.032 45.100 -0.007 0.000 2.103 128 G HN 0.091 8.385 8.290 0.008 0.000 0.551 129 V N 0.603 120.512 119.914 -0.009 0.000 3.036 129 V HA 0.066 4.193 4.120 0.011 0.000 0.280 129 V C -2.469 173.655 176.094 0.051 0.000 1.497 129 V CA -0.790 61.515 62.300 0.008 0.000 0.982 129 V CB 3.123 34.916 31.823 -0.051 0.000 1.171 129 V HN -0.321 7.831 8.190 -0.002 0.037 0.444 130 R N 7.093 127.623 120.500 0.049 0.000 2.298 130 R HA 0.277 4.636 4.340 0.032 0.000 0.310 130 R C -1.840 174.465 176.300 0.008 0.000 1.068 130 R CA -1.845 54.268 56.100 0.023 0.000 0.957 130 R CB 0.498 30.788 30.300 -0.018 0.000 1.003 130 R HN 0.212 8.502 8.270 0.032 0.000 0.454 131 P HA -0.103 4.403 4.420 0.143 0.000 0.268 131 P C -1.243 176.016 177.300 -0.068 0.000 1.208 131 P CA 0.043 63.171 63.100 0.046 0.000 0.777 131 P CB 0.580 32.319 31.700 0.064 0.000 0.875 132 Y N -0.134 120.113 120.300 -0.087 0.000 2.480 132 Y HA -0.038 4.627 4.550 -0.115 -0.184 0.341 132 Y C 1.587 177.454 175.900 -0.055 0.000 1.031 132 Y CA 0.814 58.843 58.100 -0.118 0.000 1.295 132 Y CB 0.336 38.681 38.460 -0.191 0.000 1.162 132 Y HN 0.279 8.678 8.280 0.199 0.000 0.523 133 G N 5.712 114.558 108.800 0.076 0.000 3.506 133 G HA2 0.104 4.100 3.960 0.061 0.000 0.268 133 G HA3 0.104 4.089 3.960 0.042 0.000 0.268 133 G C -2.747 172.184 174.900 0.051 0.000 0.959 133 G CA -0.386 44.749 45.100 0.057 0.000 1.823 133 G HN 0.415 8.927 8.290 0.033 -0.202 0.615 134 V N 0.743 120.689 119.914 0.053 0.000 3.048 134 V HA 0.802 5.077 4.120 0.009 -0.150 0.303 134 V C -3.174 172.917 176.094 -0.005 0.000 1.214 134 V CA -2.133 60.179 62.300 0.019 0.000 0.984 134 V CB 2.739 34.575 31.823 0.022 0.000 1.054 134 V HN -0.653 7.526 8.190 0.068 0.052 0.430 135 S N 5.029 120.710 115.700 -0.032 0.000 2.526 135 S HA 0.925 5.506 4.470 -0.044 -0.138 0.293 135 S C -1.809 172.728 174.600 -0.105 0.000 1.092 135 S CA -1.285 56.883 58.200 -0.053 0.000 0.980 135 S CB 2.712 65.889 63.200 -0.039 0.000 1.048 135 S HN 0.527 8.817 8.310 -0.034 0.000 0.483 136 L N -2.002 119.123 121.223 -0.163 0.000 2.479 136 L HA 0.795 5.090 4.340 -0.225 -0.090 0.255 136 L C -2.181 174.466 176.870 -0.372 0.000 1.026 136 L CA -0.908 53.764 54.840 -0.280 0.000 0.842 136 L CB 3.477 45.318 42.059 -0.364 0.000 1.444 136 L HN 0.891 9.041 8.230 -0.135 0.000 0.409 137 I N -6.517 113.802 120.570 -0.418 0.000 2.545 137 I HA 0.818 4.948 4.170 -0.272 -0.124 0.292 137 I C -2.122 173.761 176.117 -0.391 0.000 1.040 137 I CA -1.975 59.129 61.300 -0.328 0.000 1.068 137 I CB 3.607 41.507 38.000 -0.167 0.000 1.251 137 I HN 0.613 8.597 8.210 -0.376 0.000 0.424 138 F N 5.099 125.104 119.950 0.090 0.000 2.458 138 F HA 1.011 5.784 4.527 0.056 -0.212 0.330 138 F C -0.968 174.932 175.800 0.165 0.000 1.082 138 F CA -2.738 55.320 58.000 0.098 0.000 0.995 138 F CB 3.540 42.588 39.000 0.080 0.000 1.170 138 F HN 0.620 9.001 8.300 0.135 0.000 0.478 139 A N -0.719 122.315 122.820 0.357 0.000 2.604 139 A HA 1.061 5.771 4.320 0.323 -0.196 0.295 139 A C -1.385 176.405 177.584 0.343 0.000 1.067 139 A CA -0.868 51.351 52.037 0.302 0.000 0.683 139 A CB 3.840 22.966 19.000 0.210 0.000 1.281 139 A HN 0.559 8.915 8.150 0.343 0.000 0.407 140 G N -0.619 108.339 108.800 0.264 0.000 2.341 140 G HA2 0.171 4.237 3.960 0.177 0.000 0.293 140 G HA3 0.171 4.484 3.960 0.365 -0.134 0.293 140 G C -3.220 171.758 174.900 0.130 0.000 1.298 140 G CA 0.754 46.006 45.100 0.253 0.000 0.868 140 G HN 0.535 8.949 8.290 0.206 0.000 0.540 141 I N 1.218 121.852 120.570 0.106 0.000 2.378 141 I HA 0.798 5.168 4.170 0.055 -0.167 0.291 141 I C -2.102 174.070 176.117 0.091 0.000 0.992 141 I CA -1.987 59.355 61.300 0.071 0.000 1.154 141 I CB 2.373 40.384 38.000 0.018 0.000 1.315 141 I HN -0.197 8.105 8.210 0.154 0.000 0.448 142 D N 6.305 126.739 120.400 0.056 0.000 2.668 142 D HA 0.130 4.770 4.640 0.001 0.000 0.249 142 D C -0.721 175.574 176.300 -0.008 0.000 1.150 142 D CA -1.913 52.097 54.000 0.017 0.000 1.090 142 D CB 1.815 42.624 40.800 0.015 0.000 1.244 142 D HN 0.413 8.817 8.370 0.057 0.000 0.636 143 Q N -0.794 118.988 119.800 -0.029 0.000 2.181 143 Q HA -0.234 4.082 4.340 -0.039 0.000 0.205 143 Q C 1.850 177.841 176.000 -0.015 0.000 0.980 143 Q CA 2.282 58.065 55.803 -0.033 0.000 0.862 143 Q CB -0.046 28.664 28.738 -0.046 0.000 0.905 143 Q HN -0.038 8.209 8.270 -0.038 0.000 0.429 144 I N -3.845 116.724 120.570 -0.001 0.000 2.406 144 I HA -0.234 3.936 4.170 0.000 0.000 0.249 144 I C 0.445 176.568 176.117 0.011 0.000 1.122 144 I CA 1.074 62.379 61.300 0.008 0.000 1.431 144 I CB 0.762 38.777 38.000 0.025 0.000 1.087 144 I HN -0.128 8.380 8.210 0.001 -0.297 0.424 145 G N -3.488 105.322 108.800 0.016 0.000 2.339 145 G HA2 -0.067 3.893 3.960 0.000 0.000 0.275 145 G HA3 -0.067 3.895 3.960 0.002 0.000 0.275 145 G C -3.453 171.453 174.900 0.011 0.000 1.323 145 G CA -0.191 44.913 45.100 0.007 0.000 0.927 145 G HN -0.461 8.024 8.290 0.022 -0.182 0.486 146 P HA 0.100 4.600 4.420 -0.034 -0.101 0.271 146 P C -1.907 175.395 177.300 0.004 0.000 1.220 146 P CA 0.216 63.291 63.100 -0.041 0.000 0.768 146 P CB 0.180 31.805 31.700 -0.125 0.000 0.848 147 R N 0.874 121.414 120.500 0.065 0.000 2.795 147 R HA 0.445 4.801 4.340 0.026 0.000 0.275 147 R C -2.024 174.370 176.300 0.155 0.000 0.981 147 R CA -1.539 54.636 56.100 0.126 0.000 0.917 147 R CB 4.745 35.247 30.300 0.336 0.000 1.202 147 R HN 0.994 9.199 8.270 0.078 0.112 0.469 148 L N 1.639 122.880 121.223 0.030 0.000 2.476 148 L HA 0.620 5.245 4.340 0.218 -0.155 0.269 148 L C -2.431 174.388 176.870 -0.086 0.000 0.965 148 L CA -0.173 54.706 54.840 0.066 0.000 0.845 148 L CB 3.489 45.545 42.059 -0.005 0.000 1.259 148 L HN -0.041 8.229 8.230 -0.194 -0.157 0.403 149 F N 5.334 125.391 119.950 0.177 0.000 2.599 149 F HA 1.056 5.959 4.527 0.285 -0.205 0.311 149 F C -1.583 174.310 175.800 0.154 0.000 1.076 149 F CA -1.997 56.138 58.000 0.225 0.000 0.937 149 F CB 4.669 43.816 39.000 0.245 0.000 1.282 149 F HN 1.103 9.707 8.300 0.507 0.000 0.460 150 D N -0.180 120.427 120.400 0.345 0.000 2.419 150 D HA 0.580 5.368 4.640 0.033 -0.128 0.234 150 D C -1.801 174.606 176.300 0.178 0.000 1.014 150 D CA -1.881 52.196 54.000 0.128 0.000 0.919 150 D CB 3.549 44.309 40.800 -0.067 0.000 1.366 150 D HN 0.291 8.941 8.370 0.467 0.000 0.490 151 C N 0.061 119.401 119.300 0.067 0.000 2.608 151 C HA 0.894 5.714 4.460 0.125 -0.285 0.325 151 C C -1.941 173.065 174.990 0.026 0.000 1.147 151 C CA -2.099 56.969 59.018 0.084 0.000 1.359 151 C CB 3.488 31.300 27.740 0.121 0.000 1.912 151 C HN 0.737 8.952 8.230 -0.025 0.000 0.466 152 D N 6.389 126.815 120.400 0.043 0.000 2.384 152 D HA 0.821 5.467 4.640 0.010 0.000 0.250 152 D C -1.051 175.268 176.300 0.031 0.000 1.029 152 D CA -3.276 50.740 54.000 0.028 0.000 0.990 152 D CB -0.537 40.285 40.800 0.037 0.000 1.175 152 D HN -0.129 8.281 8.370 0.067 0.000 0.532 153 P HA -0.161 4.365 4.420 0.059 -0.071 0.220 153 P C -0.647 176.684 177.300 0.052 0.000 1.144 153 P CA 1.898 65.028 63.100 0.050 0.000 0.800 153 P CB 0.094 31.825 31.700 0.051 0.000 0.772 154 A N -7.219 115.624 122.820 0.040 0.000 2.238 154 A HA -0.021 4.319 4.320 0.035 0.000 0.208 154 A C 0.515 178.129 177.584 0.049 0.000 1.177 154 A CA -0.085 51.974 52.037 0.036 0.000 0.804 154 A CB -0.193 18.819 19.000 0.020 0.000 0.823 154 A HN -0.213 8.140 8.150 0.035 -0.182 0.482 155 G N -2.324 106.507 108.800 0.052 0.000 2.141 155 G HA2 -0.349 3.642 3.960 0.051 0.000 0.242 155 G HA3 -0.349 3.647 3.960 0.059 0.000 0.242 155 G C -0.330 174.611 174.900 0.068 0.000 0.982 155 G CA 0.170 45.305 45.100 0.057 0.000 0.662 155 G HN 0.238 8.437 8.290 0.048 0.120 0.527 156 T N 2.578 117.173 114.554 0.069 0.000 2.884 156 T HA 0.002 4.397 4.350 0.075 0.000 0.298 156 T C -1.383 173.386 174.700 0.114 0.000 0.998 156 T CA 1.438 63.586 62.100 0.080 0.000 1.124 156 T CB 0.868 69.778 68.868 0.070 0.000 0.931 156 T HN -0.042 8.399 8.240 0.060 -0.165 0.531 157 I N 4.415 125.064 120.570 0.133 0.000 2.647 157 I HA 0.857 5.417 4.170 0.230 -0.253 0.295 157 I C -2.196 174.047 176.117 0.211 0.000 1.078 157 I CA -2.552 58.868 61.300 0.200 0.000 1.048 157 I CB 3.743 41.859 38.000 0.193 0.000 1.239 157 I HN 0.168 8.444 8.210 0.111 0.000 0.421 158 N N 6.921 125.791 118.700 0.284 0.000 2.708 158 N HA 0.252 5.051 4.740 0.099 0.000 0.257 158 N C -2.810 172.760 175.510 0.100 0.000 1.373 158 N CA -0.513 52.618 53.050 0.135 0.000 0.843 158 N CB 4.004 42.457 38.487 -0.057 0.000 1.503 158 N HN 0.004 8.604 8.380 0.366 0.000 0.504 159 E N 0.015 120.068 120.200 -0.245 0.000 2.179 159 E HA 0.656 4.777 4.350 -0.690 -0.185 0.275 159 E C -1.123 175.234 176.600 -0.406 0.000 0.945 159 E CA -1.345 54.721 56.400 -0.556 0.000 0.792 159 E CB 1.850 31.063 29.700 -0.812 0.000 1.125 159 E HN 0.171 8.391 8.360 -0.233 0.000 0.397 160 Y N 5.659 125.772 120.300 -0.312 0.000 2.659 160 Y HA 0.086 4.533 4.550 -0.171 0.000 0.333 160 Y C -1.368 174.410 175.900 -0.202 0.000 1.064 160 Y CA -0.797 57.180 58.100 -0.206 0.000 1.141 160 Y CB 2.708 41.068 38.460 -0.168 0.000 1.316 160 Y HN 0.248 8.495 8.280 -0.055 0.000 0.509 161 K N -1.656 118.741 120.400 -0.005 0.000 2.308 161 K HA -0.063 4.229 4.320 -0.048 0.000 0.197 161 K C -1.151 175.301 176.600 -0.247 0.000 1.049 161 K CA 0.546 56.775 56.287 -0.097 0.000 0.991 161 K CB 1.140 33.585 32.500 -0.091 0.000 0.836 161 K HN 0.269 8.543 8.250 0.040 0.000 0.500 162 A N -4.909 117.768 122.820 -0.239 0.000 2.590 162 A HA 0.439 4.759 4.320 -0.214 -0.129 0.294 162 A C -1.860 175.599 177.584 -0.208 0.000 1.046 162 A CA -0.200 51.651 52.037 -0.310 0.000 0.684 162 A CB 1.822 20.418 19.000 -0.674 0.000 1.279 162 A HN -0.780 7.328 8.150 -0.069 0.000 0.415 163 T N -0.689 113.707 114.554 -0.264 0.000 2.686 163 T HA 0.177 4.380 4.350 -0.244 0.000 0.308 163 T C -2.609 171.925 174.700 -0.277 0.000 1.667 163 T CA -0.290 61.595 62.100 -0.359 0.000 0.987 163 T CB 1.722 70.020 68.868 -0.950 0.000 1.652 163 T HN 0.580 8.685 8.240 -0.226 0.000 0.496 164 A N 0.068 122.735 122.820 -0.255 0.000 2.567 164 A HA 0.562 4.843 4.320 -0.176 -0.067 0.289 164 A C -3.185 174.298 177.584 -0.168 0.000 1.177 164 A CA -1.239 50.691 52.037 -0.179 0.000 0.694 164 A CB 3.046 21.972 19.000 -0.124 0.000 1.292 164 A HN 0.137 8.117 8.150 -0.283 0.000 0.425 165 I N -2.157 118.339 120.570 -0.124 0.000 3.099 165 I HA 0.214 4.330 4.170 -0.089 0.000 0.308 165 I C -1.573 174.500 176.117 -0.073 0.000 1.405 165 I CA -1.528 59.712 61.300 -0.100 0.000 0.953 165 I CB 4.335 42.264 38.000 -0.118 0.000 1.324 165 I HN 0.653 8.796 8.210 -0.112 0.000 0.495 166 G N 2.459 111.227 108.800 -0.054 0.000 2.445 166 G HA2 -0.365 3.711 3.960 -0.035 0.000 0.212 166 G HA3 -0.365 3.805 3.960 -0.045 -0.237 0.212 166 G C 0.077 174.962 174.900 -0.026 0.000 1.217 166 G CA 0.226 45.302 45.100 -0.040 0.000 1.002 166 G HN -0.305 7.955 8.290 -0.050 0.000 0.574 167 S N 3.403 119.090 115.700 -0.021 0.000 2.349 167 S HA -0.079 4.615 4.470 -0.006 -0.228 0.216 167 S C 2.577 177.171 174.600 -0.010 0.000 1.033 167 S CA 2.458 60.651 58.200 -0.012 0.000 1.021 167 S CB 0.102 63.296 63.200 -0.010 0.000 0.968 167 S HN -0.100 8.195 8.310 -0.025 0.000 0.426 168 G N -0.324 108.468 108.800 -0.015 0.000 3.340 168 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.240 168 G HA3 -0.028 3.926 3.960 -0.011 0.000 0.240 168 G C -0.231 174.661 174.900 -0.014 0.000 1.327 168 G CA -0.391 44.703 45.100 -0.010 0.000 1.170 168 G HN 0.402 8.680 8.290 -0.020 0.000 0.520 169 K N 2.370 122.759 120.400 -0.018 0.000 1.978 169 K HA -0.342 3.953 4.320 -0.041 0.000 0.214 169 K C 0.865 177.462 176.600 -0.005 0.000 1.049 169 K CA 3.636 59.908 56.287 -0.025 0.000 0.939 169 K CB 0.004 32.487 32.500 -0.029 0.000 0.721 169 K HN -0.378 7.761 8.250 -0.016 0.102 0.441 170 D N -0.920 119.484 120.400 0.008 0.000 2.157 170 D HA -0.402 4.252 4.640 0.024 0.000 0.191 170 D C 1.946 178.267 176.300 0.035 0.000 1.004 170 D CA 3.596 57.609 54.000 0.022 0.000 0.854 170 D CB -0.879 39.935 40.800 0.023 0.000 0.936 170 D HN 0.302 8.675 8.370 0.005 0.000 0.446 171 A N -0.331 122.510 122.820 0.035 0.000 1.834 171 A HA -0.197 4.162 4.320 0.065 0.000 0.216 171 A C 2.133 179.767 177.584 0.085 0.000 1.203 171 A CA 2.808 54.880 52.037 0.058 0.000 0.621 171 A CB -0.798 18.232 19.000 0.050 0.000 0.841 171 A HN -0.172 7.986 8.150 0.025 0.006 0.446 172 V N 0.008 119.951 119.914 0.047 0.000 2.380 172 V HA -0.378 3.777 4.120 0.058 0.000 0.251 172 V C 1.652 177.777 176.094 0.053 0.000 1.063 172 V CA 3.294 65.611 62.300 0.028 0.000 1.055 172 V CB 0.083 31.876 31.823 -0.049 0.000 0.657 172 V HN -0.357 7.846 8.190 0.022 0.000 0.455 173 V N -0.872 119.061 119.914 0.032 0.000 2.407 173 V HA -0.483 3.644 4.120 0.010 0.000 0.248 173 V C 1.623 177.769 176.094 0.085 0.000 1.055 173 V CA 3.927 66.248 62.300 0.034 0.000 1.049 173 V CB -0.963 30.870 31.823 0.017 0.000 0.662 173 V HN 0.665 8.747 8.190 0.018 0.119 0.455 174 S N 1.055 116.814 115.700 0.100 0.000 2.355 174 S HA -0.311 4.210 4.470 0.084 0.000 0.222 174 S C 1.945 176.645 174.600 0.167 0.000 1.031 174 S CA 4.052 62.316 58.200 0.106 0.000 0.993 174 S CB -0.364 62.884 63.200 0.079 0.000 0.859 174 S HN -0.345 7.925 8.310 0.086 0.092 0.453 175 F N 2.956 122.921 119.950 0.025 0.000 2.063 175 F HA -0.393 4.153 4.527 0.032 0.000 0.298 175 F C 1.151 176.985 175.800 0.056 0.000 1.109 175 F CA 3.109 61.130 58.000 0.034 0.000 1.212 175 F CB -0.009 39.008 39.000 0.028 0.000 0.973 175 F HN -0.394 8.079 8.300 0.288 0.000 0.480 176 L N -1.996 119.501 121.223 0.456 0.000 2.017 176 L HA -0.411 4.214 4.340 0.475 0.000 0.208 176 L C 2.230 179.260 176.870 0.267 0.000 1.073 176 L CA 2.521 57.569 54.840 0.348 0.000 0.745 176 L CB -1.841 40.306 42.059 0.147 0.000 0.894 176 L HN -0.178 8.251 8.230 0.332 0.000 0.432 177 E N -0.522 119.782 120.200 0.172 0.000 2.253 177 E HA -0.358 4.059 4.350 0.111 0.000 0.202 177 E C 1.784 178.455 176.600 0.120 0.000 1.014 177 E CA 2.839 59.312 56.400 0.122 0.000 0.823 177 E CB -0.182 29.571 29.700 0.088 0.000 0.736 177 E HN -0.327 8.127 8.360 0.156 0.000 0.478 178 R N -2.603 117.968 120.500 0.118 0.000 2.084 178 R HA -0.035 4.336 4.340 0.052 0.000 0.209 178 R C 1.608 177.954 176.300 0.077 0.000 1.173 178 R CA 1.846 57.982 56.100 0.060 0.000 1.053 178 R CB 1.170 31.457 30.300 -0.021 0.000 0.948 178 R HN -0.480 7.732 8.270 0.146 0.146 0.460 179 E N -2.509 117.760 120.200 0.115 0.000 2.437 179 E HA -0.012 4.377 4.350 0.066 0.000 0.189 179 E C -0.370 176.365 176.600 0.225 0.000 1.054 179 E CA -0.095 56.390 56.400 0.141 0.000 0.874 179 E CB 0.742 30.509 29.700 0.110 0.000 1.011 179 E HN 0.013 8.355 8.360 0.147 0.106 0.474 180 Y N 2.012 122.396 120.300 0.141 0.000 2.465 180 Y HA -0.185 4.442 4.550 0.128 0.000 0.331 180 Y C -0.851 175.099 175.900 0.083 0.000 1.102 180 Y CA 1.161 59.330 58.100 0.115 0.000 1.358 180 Y CB 0.232 38.751 38.460 0.099 0.000 1.213 180 Y HN -0.293 8.058 8.280 0.333 0.129 0.525 181 K N 8.859 128.826 120.400 -0.721 0.000 2.263 181 K HA 0.209 4.329 4.320 -0.334 0.000 0.272 181 K C 0.146 176.261 176.600 -0.808 0.000 1.033 181 K CA -1.633 54.325 56.287 -0.548 0.000 0.884 181 K CB 1.175 33.522 32.500 -0.254 0.000 1.107 181 K HN 0.219 8.079 8.250 -0.650 0.000 0.460 182 E N 6.667 126.592 120.200 -0.459 0.000 2.059 182 E HA -0.428 3.881 4.350 -0.068 0.000 0.237 182 E C 0.943 177.498 176.600 -0.075 0.000 1.023 182 E CA 2.980 59.272 56.400 -0.181 0.000 0.918 182 E CB 0.145 29.828 29.700 -0.027 0.000 0.824 182 E HN 0.664 8.844 8.360 -0.299 0.000 0.534 183 N N -0.694 117.990 118.700 -0.028 0.000 2.758 183 N HA -0.029 4.764 4.740 0.088 0.000 0.293 183 N C -1.140 174.394 175.510 0.040 0.000 1.273 183 N CA -0.544 52.530 53.050 0.039 0.000 1.022 183 N CB -0.710 37.803 38.487 0.044 0.000 1.334 183 N HN 0.178 8.533 8.380 -0.041 0.000 0.519 184 L N 3.452 124.676 121.223 0.003 0.000 2.534 184 L HA -0.004 4.318 4.340 -0.029 0.000 0.271 184 L C -2.112 174.773 176.870 0.026 0.000 1.178 184 L CA -1.788 53.045 54.840 -0.012 0.000 0.907 184 L CB 0.302 42.322 42.059 -0.065 0.000 1.164 184 L HN -0.812 7.306 8.230 -0.048 0.083 0.482 185 P HA 0.083 4.515 4.420 0.020 0.000 0.268 185 P C 0.251 177.407 177.300 -0.240 0.000 1.205 185 P CA -0.067 63.001 63.100 -0.052 0.000 0.771 185 P CB 0.854 32.541 31.700 -0.022 0.000 0.858 186 E N 6.609 126.500 120.200 -0.515 0.000 2.110 186 E HA -0.591 2.785 4.350 -1.623 0.000 0.225 186 E C 1.767 178.155 176.600 -0.354 0.000 1.063 186 E CA 4.903 60.797 56.400 -0.843 0.000 0.906 186 E CB 0.103 29.422 29.700 -0.636 0.000 0.795 186 E HN 0.459 8.598 8.360 -0.368 0.000 0.479 187 K N -2.124 118.217 120.400 -0.098 0.000 2.059 187 K HA -0.406 4.091 4.320 0.294 0.000 0.212 187 K C 2.514 179.174 176.600 0.099 0.000 1.050 187 K CA 3.527 59.888 56.287 0.122 0.000 0.927 187 K CB -0.437 32.141 32.500 0.130 0.000 0.714 187 K HN 0.101 8.297 8.250 -0.089 0.000 0.447 188 E N -1.860 118.340 120.200 0.001 0.000 2.107 188 E HA -0.214 4.168 4.350 0.053 0.000 0.191 188 E C 2.128 178.712 176.600 -0.028 0.000 0.982 188 E CA 2.657 59.061 56.400 0.007 0.000 0.809 188 E CB -0.055 29.640 29.700 -0.008 0.000 0.756 188 E HN -0.425 7.908 8.360 -0.040 0.003 0.459 189 A N 1.444 124.198 122.820 -0.110 0.000 1.851 189 A HA -0.274 4.031 4.320 -0.024 0.000 0.216 189 A C 1.793 179.316 177.584 -0.102 0.000 1.195 189 A CA 3.279 55.255 52.037 -0.102 0.000 0.622 189 A CB -0.414 18.454 19.000 -0.220 0.000 0.831 189 A HN 0.233 8.101 8.150 -0.167 0.182 0.444 190 V N -2.556 117.240 119.914 -0.198 0.000 2.392 190 V HA -0.469 3.495 4.120 -0.259 0.000 0.249 190 V C 1.324 177.329 176.094 -0.148 0.000 1.059 190 V CA 3.694 65.829 62.300 -0.276 0.000 1.051 190 V CB -0.174 31.288 31.823 -0.602 0.000 0.658 190 V HN 0.325 8.364 8.190 -0.251 0.000 0.455 191 T N 3.348 117.900 114.554 -0.004 0.000 2.643 191 T HA -0.375 4.051 4.350 0.127 0.000 0.264 191 T C 1.634 176.338 174.700 0.006 0.000 1.045 191 T CA 5.682 67.827 62.100 0.074 0.000 1.155 191 T CB -0.501 68.438 68.868 0.118 0.000 0.863 191 T HN -0.688 7.461 8.240 0.015 0.100 0.420 192 L N 1.010 122.237 121.223 0.006 0.000 2.051 192 L HA -0.395 3.974 4.340 0.049 0.000 0.214 192 L C 1.772 178.561 176.870 -0.134 0.000 1.076 192 L CA 3.194 58.035 54.840 0.000 0.000 0.758 192 L CB -0.692 41.401 42.059 0.057 0.000 0.890 192 L HN 0.326 8.564 8.230 0.015 0.000 0.433 193 G N -1.344 107.391 108.800 -0.109 0.000 2.453 193 G HA2 -0.411 3.443 3.960 -0.177 0.000 0.215 193 G HA3 -0.411 3.471 3.960 -0.130 0.000 0.215 193 G C 0.681 175.460 174.900 -0.203 0.000 1.201 193 G CA 2.030 47.034 45.100 -0.160 0.000 0.784 193 G HN 0.279 8.527 8.290 -0.069 0.000 0.545 194 I N 2.266 122.744 120.570 -0.153 0.000 2.264 194 I HA -0.516 3.576 4.170 -0.129 0.000 0.248 194 I C 1.111 177.153 176.117 -0.126 0.000 1.111 194 I CA 3.008 64.236 61.300 -0.120 0.000 1.382 194 I CB -0.087 37.877 38.000 -0.060 0.000 1.060 194 I HN 0.408 8.425 8.210 -0.138 0.110 0.418 195 K N -0.007 120.308 120.400 -0.142 0.000 1.985 195 K HA -0.422 3.880 4.320 -0.029 0.000 0.210 195 K C 1.763 178.140 176.600 -0.372 0.000 1.047 195 K CA 3.832 60.040 56.287 -0.133 0.000 0.932 195 K CB -0.130 32.356 32.500 -0.023 0.000 0.716 195 K HN 0.225 8.389 8.250 -0.121 0.013 0.439 196 A N -0.324 121.975 122.820 -0.869 0.000 1.892 196 A HA -0.273 2.789 4.320 -2.096 0.000 0.218 196 A C 2.285 179.612 177.584 -0.428 0.000 1.188 196 A CA 2.950 54.258 52.037 -1.216 0.000 0.631 196 A CB -0.673 17.690 19.000 -1.061 0.000 0.822 196 A HN 0.047 7.745 8.150 -0.755 0.000 0.447 197 L N -1.515 119.539 121.223 -0.281 0.000 2.012 197 L HA -0.399 3.862 4.340 -0.131 0.000 0.210 197 L C 1.288 178.104 176.870 -0.091 0.000 1.073 197 L CA 3.089 57.839 54.840 -0.149 0.000 0.748 197 L CB -0.483 41.501 42.059 -0.125 0.000 0.891 197 L HN 0.265 8.204 8.230 -0.307 0.108 0.431 198 K N -1.377 118.974 120.400 -0.082 0.000 1.969 198 K HA -0.461 4.054 4.320 -0.017 -0.206 0.223 198 K C 2.438 179.045 176.600 0.013 0.000 1.048 198 K CA 3.308 59.581 56.287 -0.023 0.000 0.983 198 K CB -0.060 32.439 32.500 -0.002 0.000 0.738 198 K HN 0.098 8.105 8.250 -0.116 0.173 0.446 199 S N -1.735 114.000 115.700 0.059 0.000 2.425 199 S HA -0.459 4.080 4.470 0.115 0.000 0.256 199 S C 1.281 175.932 174.600 0.086 0.000 1.101 199 S CA 3.412 61.688 58.200 0.127 0.000 1.188 199 S CB -0.679 62.707 63.200 0.310 0.000 1.085 199 S HN -0.244 8.095 8.310 0.048 0.000 0.439 200 S N 1.776 117.515 115.700 0.064 0.000 2.557 200 S HA -0.237 4.269 4.470 0.060 0.000 0.225 200 S C 2.228 176.842 174.600 0.023 0.000 1.092 200 S CA 2.331 60.556 58.200 0.041 0.000 1.310 200 S CB 0.237 63.443 63.200 0.010 0.000 1.147 200 S HN -0.714 7.628 8.310 0.049 -0.002 0.402 201 L N -0.933 120.293 121.223 0.005 0.000 2.353 201 L HA -0.098 4.245 4.340 0.004 0.000 0.220 201 L C 1.914 178.789 176.870 0.007 0.000 1.133 201 L CA 1.347 56.188 54.840 0.002 0.000 0.798 201 L CB -0.440 41.613 42.059 -0.010 0.000 0.922 201 L HN -0.527 7.699 8.230 -0.007 0.000 0.445 202 E N -0.982 119.226 120.200 0.013 0.000 2.441 202 E HA -0.122 4.235 4.350 0.011 0.000 0.210 202 E C 0.674 177.286 176.600 0.021 0.000 1.306 202 E CA -0.448 55.962 56.400 0.017 0.000 1.307 202 E CB -2.558 27.154 29.700 0.020 0.000 1.297 202 E HN 0.140 8.461 8.360 0.015 0.048 0.440 203 E N 0.447 120.658 120.200 0.018 0.000 2.152 203 E HA -0.126 4.237 4.350 0.021 0.000 0.192 203 E C 0.988 177.596 176.600 0.014 0.000 0.983 203 E CA 1.687 58.097 56.400 0.017 0.000 0.818 203 E CB 0.156 29.865 29.700 0.015 0.000 0.758 203 E HN 0.223 8.471 8.360 0.015 0.122 0.467 204 G N -1.019 107.788 108.800 0.011 0.000 3.496 204 G HA2 0.019 3.984 3.960 0.009 0.000 0.273 204 G HA3 0.019 3.983 3.960 0.007 0.000 0.273 204 G C -0.784 174.122 174.900 0.010 0.000 1.279 204 G CA -0.884 44.222 45.100 0.009 0.000 1.041 204 G HN -0.522 7.758 8.290 0.010 0.016 0.539 205 E N -0.679 119.529 120.200 0.013 0.000 4.201 205 E HA -0.626 3.735 4.350 0.017 0.000 0.197 205 E C -1.219 175.389 176.600 0.013 0.000 1.283 205 E CA 2.509 58.917 56.400 0.014 0.000 2.240 205 E CB -1.355 28.353 29.700 0.013 0.000 1.878 205 E HN -0.408 7.796 8.360 0.015 0.165 0.315 206 E N 1.220 121.426 120.200 0.010 0.000 2.328 206 E HA -0.101 4.256 4.350 0.011 0.000 0.265 206 E C 0.486 177.090 176.600 0.007 0.000 1.057 206 E CA 0.163 56.569 56.400 0.009 0.000 0.916 206 E CB 0.164 29.869 29.700 0.008 0.000 0.993 206 E HN -0.211 8.113 8.360 0.009 0.041 0.446 207 L N 7.716 128.943 121.223 0.008 0.000 2.376 207 L HA -0.181 4.355 4.340 -0.001 -0.197 0.219 207 L C -0.533 176.338 176.870 0.001 0.000 1.133 207 L CA 1.202 56.043 54.840 0.003 0.000 0.816 207 L CB -0.032 42.029 42.059 0.004 0.000 0.933 207 L HN 0.286 8.523 8.230 0.011 0.000 0.449 208 K N -5.096 115.308 120.400 0.006 0.000 1.968 208 K HA -0.363 3.961 4.320 0.008 0.000 0.393 208 K C -1.533 175.072 176.600 0.008 0.000 1.775 208 K CA 1.281 57.571 56.287 0.006 0.000 0.654 208 K CB -0.770 31.730 32.500 0.001 0.000 1.066 208 K HN -0.371 7.841 8.250 0.008 0.042 0.701 209 A N 1.901 124.725 122.820 0.006 0.000 2.293 209 A HA 0.471 4.801 4.320 0.017 0.000 0.312 209 A C -2.878 174.705 177.584 -0.001 0.000 1.309 209 A CA -2.345 49.698 52.037 0.010 0.000 0.839 209 A CB 0.406 19.415 19.000 0.015 0.000 1.155 209 A HN 0.034 8.185 8.150 0.003 0.000 0.501 210 P HA 0.193 4.695 4.420 -0.034 -0.102 0.276 210 P C -1.694 175.587 177.300 -0.032 0.000 1.244 210 P CA -0.975 62.107 63.100 -0.031 0.000 0.801 210 P CB 1.127 32.798 31.700 -0.050 0.000 1.006 211 E N 1.163 121.335 120.200 -0.047 0.000 2.133 211 E HA 0.333 4.671 4.350 -0.020 0.000 0.274 211 E C -1.910 174.639 176.600 -0.085 0.000 0.930 211 E CA -1.384 54.990 56.400 -0.042 0.000 0.770 211 E CB 2.856 32.536 29.700 -0.033 0.000 1.104 211 E HN 0.335 8.662 8.360 -0.055 0.000 0.403 212 I N 5.692 126.197 120.570 -0.108 0.000 2.582 212 I HA 0.785 5.004 4.170 -0.195 -0.166 0.292 212 I C -2.968 173.042 176.117 -0.177 0.000 1.066 212 I CA -2.197 58.961 61.300 -0.237 0.000 1.053 212 I CB 3.759 41.457 38.000 -0.503 0.000 1.241 212 I HN 0.514 8.692 8.210 -0.054 0.000 0.421 213 A N 7.071 129.825 122.820 -0.109 0.000 2.515 213 A HA 0.900 5.475 4.320 0.239 -0.111 0.298 213 A C -2.466 175.234 177.584 0.193 0.000 1.059 213 A CA -1.419 50.694 52.037 0.126 0.000 0.698 213 A CB 4.102 23.203 19.000 0.168 0.000 1.289 213 A HN 1.070 9.034 8.150 -0.130 0.108 0.404 214 S N -0.406 115.488 115.700 0.325 0.000 2.541 214 S HA 0.782 5.483 4.470 0.182 -0.122 0.271 214 S C -1.913 172.647 174.600 -0.066 0.000 1.133 214 S CA -0.775 57.549 58.200 0.207 0.000 0.876 214 S CB 3.518 66.904 63.200 0.310 0.000 1.105 214 S HN 0.923 9.480 8.310 0.413 0.000 0.470 215 I N 1.158 121.489 120.570 -0.399 0.000 2.647 215 I HA 0.394 4.345 4.170 -0.366 0.000 0.295 215 I C -2.601 173.349 176.117 -0.279 0.000 1.078 215 I CA -1.432 59.531 61.300 -0.562 0.000 1.048 215 I CB 4.087 41.338 38.000 -1.247 0.000 1.239 215 I HN 0.838 8.874 8.210 -0.289 0.000 0.421 216 T N 6.732 121.200 114.554 -0.144 0.000 2.887 216 T HA 0.238 4.569 4.350 -0.166 -0.081 0.288 216 T C -1.061 173.605 174.700 -0.056 0.000 1.021 216 T CA -2.300 59.753 62.100 -0.077 0.000 1.000 216 T CB 1.519 70.422 68.868 0.059 0.000 1.034 216 T HN 0.322 8.482 8.240 -0.134 0.000 0.467 217 V N 6.487 126.373 119.914 -0.047 0.000 2.752 217 V HA -0.469 3.655 4.120 0.008 0.000 0.306 217 V C 0.861 176.972 176.094 0.028 0.000 1.099 217 V CA 2.145 64.442 62.300 -0.004 0.000 1.240 217 V CB 0.147 31.964 31.823 -0.009 0.000 0.887 217 V HN 0.573 8.607 8.190 -0.073 0.112 0.499 218 G N 6.342 115.179 108.800 0.061 0.000 2.308 218 G HA2 -0.248 3.755 3.960 0.070 0.000 0.221 218 G HA3 -0.248 3.743 3.960 0.052 0.000 0.221 218 G C -1.448 173.520 174.900 0.113 0.000 1.032 218 G CA -0.136 45.008 45.100 0.073 0.000 0.623 218 G HN 0.582 8.919 8.290 0.077 0.000 0.506 219 N N -0.525 118.229 118.700 0.090 0.000 3.102 219 N HA 0.221 5.042 4.740 0.135 0.000 0.299 219 N C -1.933 173.516 175.510 -0.102 0.000 1.482 219 N CA -1.041 52.041 53.050 0.054 0.000 0.785 219 N CB 1.983 40.477 38.487 0.010 0.000 1.680 219 N HN -0.376 7.969 8.380 0.055 0.069 0.594 220 K N -2.489 117.751 120.400 -0.266 0.000 2.120 220 K HA -0.058 3.711 4.320 -0.919 0.000 0.245 220 K C 0.305 176.779 176.600 -0.210 0.000 1.024 220 K CA 0.071 56.071 56.287 -0.479 0.000 0.906 220 K CB 0.768 33.024 32.500 -0.406 0.000 1.051 220 K HN -0.123 8.036 8.250 -0.153 0.000 0.491 221 Y N 0.058 120.227 120.300 -0.219 0.000 2.578 221 Y HA -0.299 4.232 4.550 -0.033 0.000 0.339 221 Y C 0.363 176.245 175.900 -0.030 0.000 1.231 221 Y CA 2.663 60.717 58.100 -0.076 0.000 1.461 221 Y CB 0.701 39.128 38.460 -0.055 0.000 1.323 221 Y HN -0.447 7.803 8.280 -0.049 0.000 0.590 222 R N 3.608 124.246 120.500 0.231 0.000 2.513 222 R HA 0.416 4.829 4.340 0.122 0.000 0.301 222 R C -1.926 174.542 176.300 0.281 0.000 0.968 222 R CA -1.409 54.798 56.100 0.178 0.000 0.872 222 R CB 3.282 33.642 30.300 0.100 0.000 1.177 222 R HN 0.686 9.095 8.270 0.231 0.000 0.444 223 I N 6.208 126.900 120.570 0.204 0.000 2.336 223 I HA 0.033 4.375 4.170 0.286 0.000 0.292 223 I C -0.634 175.628 176.117 0.243 0.000 0.991 223 I CA -0.946 60.489 61.300 0.225 0.000 1.227 223 I CB 1.263 39.335 38.000 0.119 0.000 1.366 223 I HN 0.359 8.650 8.210 0.134 0.000 0.466 224 Y N 8.458 128.775 120.300 0.029 0.000 2.425 224 Y HA -0.140 4.604 4.550 0.038 -0.171 0.331 224 Y C 0.747 176.665 175.900 0.030 0.000 1.157 224 Y CA -0.130 57.986 58.100 0.026 0.000 1.372 224 Y CB 0.385 38.842 38.460 -0.004 0.000 1.253 224 Y HN 0.065 8.654 8.280 0.516 0.000 0.536 225 D N 2.649 123.122 120.400 0.121 0.000 2.313 225 D HA -0.027 4.662 4.640 0.081 0.000 0.247 225 D C 0.724 177.088 176.300 0.106 0.000 1.094 225 D CA -0.751 53.301 54.000 0.086 0.000 0.925 225 D CB 1.648 42.472 40.800 0.040 0.000 1.188 225 D HN -0.139 8.394 8.370 0.045 -0.136 0.430 226 Q N 2.236 122.083 119.800 0.078 0.000 2.165 226 Q HA -0.506 3.879 4.340 0.075 0.000 0.215 226 Q C 1.668 177.719 176.000 0.084 0.000 1.010 226 Q CA 4.101 59.947 55.803 0.072 0.000 0.896 226 Q CB 0.031 28.798 28.738 0.047 0.000 0.956 226 Q HN 0.661 8.969 8.270 0.063 0.000 0.413 227 E N -2.149 118.094 120.200 0.071 0.000 2.047 227 E HA -0.299 4.086 4.350 0.058 0.000 0.191 227 E C 2.078 178.742 176.600 0.106 0.000 0.987 227 E CA 2.725 59.165 56.400 0.066 0.000 0.799 227 E CB -0.589 29.134 29.700 0.038 0.000 0.752 227 E HN -0.077 8.394 8.360 0.058 -0.076 0.449 228 E N -0.290 119.989 120.200 0.132 0.000 2.085 228 E HA -0.330 4.124 4.350 0.173 0.000 0.194 228 E C 2.452 179.325 176.600 0.456 0.000 0.994 228 E CA 2.691 59.228 56.400 0.230 0.000 0.801 228 E CB -0.002 29.784 29.700 0.143 0.000 0.743 228 E HN -0.747 7.832 8.360 0.101 -0.158 0.453 229 V N 0.086 120.220 119.914 0.366 0.000 2.358 229 V HA -0.414 3.949 4.120 0.406 0.000 0.246 229 V C 1.154 177.428 176.094 0.300 0.000 1.047 229 V CA 3.206 65.706 62.300 0.333 0.000 1.035 229 V CB 0.098 32.014 31.823 0.156 0.000 0.658 229 V HN -0.057 8.295 8.190 0.269 0.000 0.452 230 K N -0.890 119.625 120.400 0.190 0.000 2.211 230 K HA -0.358 4.026 4.320 0.107 0.000 0.204 230 K C 1.903 178.570 176.600 0.111 0.000 1.047 230 K CA 3.025 59.386 56.287 0.122 0.000 0.935 230 K CB -0.362 32.184 32.500 0.076 0.000 0.728 230 K HN -0.380 7.969 8.250 0.165 0.000 0.452 231 K N -2.041 118.429 120.400 0.117 0.000 2.057 231 K HA -0.230 4.054 4.320 -0.060 0.000 0.207 231 K C 1.617 178.154 176.600 -0.104 0.000 1.049 231 K CA 2.817 59.074 56.287 -0.050 0.000 0.931 231 K CB 0.232 32.623 32.500 -0.181 0.000 0.714 231 K HN -0.449 7.774 8.250 0.178 0.134 0.440 232 F N -5.057 114.914 119.950 0.035 0.000 2.512 232 F HA -0.120 4.417 4.527 0.017 0.000 0.296 232 F C 0.761 176.565 175.800 0.008 0.000 1.110 232 F CA 1.192 59.204 58.000 0.021 0.000 1.446 232 F CB 0.329 39.342 39.000 0.021 0.000 1.092 232 F HN -0.779 7.739 8.300 0.544 0.108 0.554 233 L N 0.000 121.343 121.223 0.199 0.000 2.949 233 L HA 0.000 4.399 4.340 0.098 0.000 0.249 233 L CA 0.000 54.905 54.840 0.108 0.000 0.813 233 L CB 0.000 42.110 42.059 0.085 0.000 0.961 233 L HN 0.000 8.230 8.230 0.232 0.139 0.502