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 1ak6_1_A DATA FIRST_RESID -8 DATA SEQUENCE TMITPSSGNS ASGVQVADEV CRIFYDMKVR KCSTPEEIKK RKKAVIFCLS DATA SEQUENCE ADKKCIIVEE GKEILVGDVG VTITDPFKHF VGMLPEKDCR YALYDASFET DATA SEQUENCE KESRKEELMF FLWAPELAPL KSKMIYASSK DAIKKKFQGI KHECQANGPE DATA SEQUENCE DLNRACIAEK LGGSLIVAFE GCPV 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 -8 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 -8 T C 0.000 174.698 174.700 -0.003 0.000 1.109 -8 T CA 0.000 62.099 62.100 -0.003 0.000 1.349 -8 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 -7 M N 3.120 122.717 119.600 -0.004 0.000 3.596 -7 M HA 0.094 4.571 4.480 -0.005 0.000 0.219 -7 M C -0.634 175.663 176.300 -0.006 0.000 1.471 -7 M CA 0.284 55.581 55.300 -0.005 0.000 1.644 -7 M CB -0.833 31.763 32.600 -0.006 0.000 1.083 -7 M HN 0.077 8.364 8.290 -0.004 0.000 0.579 -6 I N 2.164 122.731 120.570 -0.005 0.000 3.812 -6 I HA 0.029 4.195 4.170 -0.007 0.000 0.320 -6 I C 0.101 176.215 176.117 -0.006 0.000 1.276 -6 I CA -0.242 61.054 61.300 -0.006 0.000 1.164 -6 I CB -0.064 37.934 38.000 -0.004 0.000 1.009 -6 I HN -0.179 7.974 8.210 -0.004 0.054 0.431 -5 T N 1.516 116.066 114.554 -0.006 0.000 2.665 -5 T HA -0.159 4.188 4.350 -0.005 0.000 0.268 -5 T C -1.587 173.108 174.700 -0.007 0.000 1.035 -5 T CA 3.710 65.807 62.100 -0.006 0.000 1.151 -5 T CB -1.066 67.798 68.868 -0.006 0.000 0.862 -5 T HN 0.021 8.170 8.240 -0.006 0.088 0.438 -4 P HA 0.156 4.570 4.420 -0.011 0.000 0.279 -4 P C -1.036 176.257 177.300 -0.012 0.000 1.318 -4 P CA -0.484 62.609 63.100 -0.011 0.000 0.819 -4 P CB -0.099 31.593 31.700 -0.013 0.000 0.927 -3 S N 4.557 120.250 115.700 -0.011 0.000 2.677 -3 S HA -0.039 4.424 4.470 -0.011 0.000 0.246 -3 S C 0.395 174.986 174.600 -0.016 0.000 1.005 -3 S CA -0.397 57.796 58.200 -0.012 0.000 1.062 -3 S CB 0.191 63.386 63.200 -0.009 0.000 0.778 -3 S HN 0.107 8.411 8.310 -0.010 0.000 0.461 -2 S N 1.152 116.841 115.700 -0.019 0.000 2.462 -2 S HA -0.252 4.204 4.470 -0.023 0.000 0.243 -2 S C 0.908 175.489 174.600 -0.031 0.000 1.003 -2 S CA 1.678 59.863 58.200 -0.026 0.000 0.970 -2 S CB -0.121 63.060 63.200 -0.031 0.000 0.762 -2 S HN -0.301 7.888 8.310 -0.019 0.110 0.510 -1 G N -1.499 107.284 108.800 -0.028 0.000 2.309 -1 G HA2 -0.359 3.586 3.960 -0.025 0.000 0.286 -1 G HA3 -0.359 3.586 3.960 -0.025 0.000 0.286 -1 G C -0.629 174.241 174.900 -0.050 0.000 1.002 -1 G CA 1.315 46.397 45.100 -0.030 0.000 0.786 -1 G HN 0.562 8.779 8.290 -0.023 0.059 0.511 0 N N -5.333 113.331 118.700 -0.060 0.000 2.209 0 N HA -0.115 4.554 4.740 -0.118 0.000 0.249 0 N C 0.852 176.310 175.510 -0.086 0.000 1.146 0 N CA 0.460 53.453 53.050 -0.094 0.000 0.800 0 N CB 0.442 38.867 38.487 -0.102 0.000 1.521 0 N HN -0.124 8.175 8.380 -0.049 0.052 0.498 1 S N 2.813 118.477 115.700 -0.061 0.000 2.359 1 S HA -0.269 4.167 4.470 -0.057 0.000 0.223 1 S C -0.232 174.340 174.600 -0.047 0.000 1.039 1 S CA 3.667 61.836 58.200 -0.051 0.000 1.042 1 S CB -0.135 63.043 63.200 -0.036 0.000 0.915 1 S HN -0.110 8.169 8.310 -0.052 0.000 0.439 2 A N -1.524 121.273 122.820 -0.038 0.000 3.012 2 A HA 0.135 4.440 4.320 -0.026 0.000 0.295 2 A C -1.568 175.999 177.584 -0.029 0.000 1.338 2 A CA -0.623 51.398 52.037 -0.028 0.000 0.981 2 A CB -1.405 17.585 19.000 -0.017 0.000 1.091 2 A HN -0.053 8.076 8.150 -0.036 0.000 0.602 3 S N -1.937 113.732 115.700 -0.052 0.000 3.442 3 S HA -0.407 4.023 4.470 -0.107 -0.025 0.444 3 S C 0.174 174.756 174.600 -0.030 0.000 0.738 3 S CA 0.663 58.828 58.200 -0.057 0.000 1.342 3 S CB -1.260 61.928 63.200 -0.021 0.000 1.270 3 S HN -0.476 7.628 8.310 -0.069 0.164 0.695 4 G N 1.367 110.142 108.800 -0.041 0.000 5.602 4 G HA2 0.047 4.008 3.960 0.001 0.000 0.197 4 G HA3 0.047 3.998 3.960 -0.016 0.000 0.197 4 G C -1.197 173.692 174.900 -0.018 0.000 0.705 4 G CA -0.126 44.964 45.100 -0.016 0.000 0.662 4 G HN -0.212 8.036 8.290 -0.070 0.000 0.365 5 V N -3.722 116.175 119.914 -0.027 0.000 4.057 5 V HA -0.220 3.927 4.120 -0.028 -0.044 0.274 5 V C -0.711 175.388 176.094 0.009 0.000 0.953 5 V CA -0.195 62.095 62.300 -0.018 0.000 0.963 5 V CB 0.867 32.679 31.823 -0.018 0.000 1.208 5 V HN -0.760 7.406 8.190 -0.040 0.000 0.436 6 Q N -2.381 117.430 119.800 0.018 0.000 1.936 6 Q HA 0.109 4.461 4.340 0.019 0.000 0.196 6 Q C -0.720 175.293 176.000 0.022 0.000 0.792 6 Q CA -0.991 54.823 55.803 0.018 0.000 0.972 6 Q CB 0.213 28.957 28.738 0.010 0.000 1.235 6 Q HN -0.124 8.239 8.270 0.020 -0.081 0.419 7 V N -2.296 117.640 119.914 0.037 0.000 3.864 7 V HA -0.381 3.834 4.120 0.038 -0.072 0.549 7 V C -1.808 174.291 176.094 0.009 0.000 0.690 7 V CA 1.435 63.747 62.300 0.020 0.000 2.117 7 V CB -0.355 31.463 31.823 -0.008 0.000 2.501 7 V HN -0.284 7.964 8.190 0.054 -0.025 0.523 8 A N -1.446 121.368 122.820 -0.010 0.000 2.600 8 A HA 0.214 4.541 4.320 0.011 0.000 0.252 8 A C -0.805 176.779 177.584 -0.000 0.000 1.200 8 A CA 0.449 52.488 52.037 0.002 0.000 0.981 8 A CB 0.880 19.887 19.000 0.012 0.000 1.207 8 A HN 0.208 8.333 8.150 -0.041 0.000 0.577 9 D N -4.498 115.898 120.400 -0.008 0.000 2.466 9 D HA -0.348 4.297 4.640 0.009 0.000 0.184 9 D C 0.889 177.204 176.300 0.024 0.000 1.519 9 D CA 2.639 56.644 54.000 0.007 0.000 1.769 9 D CB -2.058 38.747 40.800 0.008 0.000 1.391 9 D HN 0.664 9.022 8.370 -0.021 0.000 0.515 10 E N 1.279 121.489 120.200 0.016 0.000 2.267 10 E HA -0.336 4.056 4.350 0.069 0.000 0.197 10 E C 0.995 177.616 176.600 0.035 0.000 0.998 10 E CA 2.637 59.062 56.400 0.040 0.000 0.830 10 E CB -0.396 29.326 29.700 0.036 0.000 0.751 10 E HN -0.270 7.971 8.360 0.007 0.123 0.491 11 V N -0.998 118.886 119.914 -0.050 0.000 2.358 11 V HA -0.326 3.685 4.120 -0.182 0.000 0.246 11 V C 0.906 177.190 176.094 0.316 0.000 1.047 11 V CA 3.088 65.355 62.300 -0.055 0.000 1.035 11 V CB -0.141 31.506 31.823 -0.293 0.000 0.658 11 V HN -0.457 7.733 8.190 -0.067 -0.041 0.452 12 C N -2.538 116.885 119.300 0.204 0.000 2.466 12 C HA -0.135 4.514 4.460 0.315 0.000 0.283 12 C C 0.276 175.503 174.990 0.396 0.000 1.472 12 C CA 1.345 60.525 59.018 0.270 0.000 1.765 12 C CB -0.480 27.323 27.740 0.104 0.000 1.724 12 C HN -0.321 7.849 8.230 0.093 0.115 0.560 13 R N -2.477 118.225 120.500 0.337 0.000 2.335 13 R HA 0.093 4.746 4.340 0.521 0.000 0.210 13 R C 0.443 177.036 176.300 0.489 0.000 0.892 13 R CA 0.542 56.914 56.100 0.454 0.000 1.048 13 R CB 0.782 31.238 30.300 0.260 0.000 1.067 13 R HN -0.219 8.051 8.270 0.257 0.155 0.524 14 I N 0.587 121.380 120.570 0.371 0.000 2.235 14 I HA -0.392 3.924 4.170 0.243 0.000 0.241 14 I C 1.426 177.652 176.117 0.181 0.000 1.085 14 I CA 4.081 65.566 61.300 0.309 0.000 1.378 14 I CB 0.554 38.777 38.000 0.372 0.000 1.076 14 I HN -0.263 8.014 8.210 0.371 0.155 0.415 15 F N -0.295 119.631 119.950 -0.041 0.000 2.408 15 F HA -0.403 3.797 4.527 -0.544 0.000 0.300 15 F C -0.448 175.251 175.800 -0.168 0.000 1.090 15 F CA 2.083 59.815 58.000 -0.446 0.000 1.427 15 F CB 0.059 38.531 39.000 -0.881 0.000 1.070 15 F HN -0.455 8.189 8.300 0.574 0.000 0.549 16 Y N -3.710 116.187 120.300 -0.671 0.000 2.497 16 Y HA -0.076 3.700 4.550 -1.290 0.000 0.265 16 Y C 1.199 176.890 175.900 -0.348 0.000 1.111 16 Y CA 0.246 57.905 58.100 -0.735 0.000 1.288 16 Y CB 0.643 38.999 38.460 -0.172 0.000 1.082 16 Y HN -0.295 8.023 8.280 0.213 0.090 0.536 17 D N 1.127 121.082 120.400 -0.741 0.000 2.269 17 D HA -0.090 3.864 4.640 -1.143 0.000 0.208 17 D C -0.206 175.771 176.300 -0.538 0.000 0.963 17 D CA 3.007 56.587 54.000 -0.700 0.000 0.864 17 D CB 1.207 41.906 40.800 -0.167 0.000 0.936 17 D HN -0.176 7.825 8.370 -0.256 0.216 0.505 18 M N -7.573 111.745 119.600 -0.470 0.000 2.596 18 M HA 0.546 4.955 4.480 -0.335 -0.130 0.364 18 M C -0.331 175.719 176.300 -0.417 0.000 1.158 18 M CA -2.414 52.663 55.300 -0.371 0.000 0.940 18 M CB -1.459 30.976 32.600 -0.275 0.000 1.388 18 M HN -0.760 7.205 8.290 -0.481 0.036 0.522 19 K N 1.988 122.057 120.400 -0.552 0.000 1.975 19 K HA -0.356 3.619 4.320 -0.575 0.000 0.230 19 K C 0.051 176.460 176.600 -0.317 0.000 1.044 19 K CA 3.415 59.401 56.287 -0.502 0.000 1.022 19 K CB 0.056 32.263 32.500 -0.488 0.000 0.739 19 K HN -0.690 6.968 8.250 -0.689 0.179 0.446 20 V N -5.713 114.043 119.914 -0.263 0.000 6.115 20 V HA 0.266 4.264 4.120 -0.203 0.000 0.076 20 V C -0.154 175.834 176.094 -0.177 0.000 0.976 20 V CA -0.841 61.340 62.300 -0.198 0.000 1.228 20 V CB 1.145 32.874 31.823 -0.155 0.000 2.358 20 V HN -0.051 7.975 8.190 -0.275 0.000 0.383 21 R N -1.171 119.246 120.500 -0.138 0.000 2.319 21 R HA -0.002 4.265 4.340 -0.122 0.000 0.204 21 R C -0.238 175.999 176.300 -0.106 0.000 0.954 21 R CA -0.051 55.980 56.100 -0.115 0.000 1.066 21 R CB -0.399 29.847 30.300 -0.089 0.000 0.991 21 R HN -0.066 8.130 8.270 -0.124 0.000 0.486 22 K N 2.571 122.896 120.400 -0.126 0.000 2.036 22 K HA -0.217 4.068 4.320 -0.057 0.000 0.246 22 K C -1.441 175.097 176.600 -0.104 0.000 1.148 22 K CA 1.311 57.536 56.287 -0.103 0.000 1.200 22 K CB -1.320 31.094 32.500 -0.143 0.000 0.964 22 K HN 0.055 8.122 8.250 -0.152 0.092 0.364 23 C N -0.180 119.081 119.300 -0.065 0.000 3.309 23 C HA 0.354 4.782 4.460 -0.052 0.000 0.335 23 C C -0.509 174.462 174.990 -0.030 0.000 1.018 23 C CA -1.894 57.091 59.018 -0.054 0.000 1.326 23 C CB 1.480 29.179 27.740 -0.068 0.000 1.752 23 C HN 0.121 8.320 8.230 -0.052 -0.000 0.567 24 S N 2.384 118.076 115.700 -0.013 0.000 2.472 24 S HA -0.399 4.068 4.470 -0.004 0.000 0.292 24 S C -0.008 174.584 174.600 -0.013 0.000 1.175 24 S CA 3.075 61.271 58.200 -0.007 0.000 1.249 24 S CB 0.194 63.395 63.200 0.002 0.000 1.208 24 S HN 0.390 8.697 8.310 -0.005 0.000 0.442 25 T N -1.957 112.589 114.554 -0.015 0.000 3.050 25 T HA 0.333 4.665 4.350 -0.021 0.006 0.310 25 T C -2.097 172.590 174.700 -0.022 0.000 0.978 25 T CA -2.744 59.346 62.100 -0.017 0.000 1.013 25 T CB 1.004 69.865 68.868 -0.011 0.000 1.000 25 T HN -0.435 7.810 8.240 -0.012 -0.013 0.447 26 P HA 0.080 4.477 4.420 -0.040 0.000 0.242 26 P C 0.020 177.305 177.300 -0.026 0.000 1.197 26 P CA 0.684 63.763 63.100 -0.036 0.000 0.765 26 P CB -0.103 31.568 31.700 -0.048 0.000 0.936 27 E N -3.311 116.878 120.200 -0.019 0.000 2.516 27 E HA -0.191 4.150 4.350 -0.014 0.000 0.199 27 E C 0.136 176.731 176.600 -0.008 0.000 1.069 27 E CA 1.767 58.158 56.400 -0.013 0.000 0.876 27 E CB -0.741 28.952 29.700 -0.011 0.000 0.843 27 E HN 0.517 8.775 8.360 -0.019 0.090 0.530 28 E N -5.540 114.655 120.200 -0.009 0.000 2.652 28 E HA 0.058 4.408 4.350 0.001 0.000 0.197 28 E C 1.460 178.059 176.600 -0.003 0.000 0.936 28 E CA 0.368 56.767 56.400 -0.002 0.000 1.638 28 E CB 1.254 30.954 29.700 0.001 0.000 1.884 28 E HN -0.640 7.601 8.360 -0.013 0.112 1.005 29 I N 2.731 123.294 120.570 -0.011 0.000 2.300 29 I HA -0.476 3.687 4.170 -0.012 0.000 0.252 29 I C 1.737 177.841 176.117 -0.022 0.000 1.119 29 I CA 3.142 64.431 61.300 -0.019 0.000 1.384 29 I CB -0.238 37.741 38.000 -0.036 0.000 1.062 29 I HN -0.196 8.006 8.210 -0.014 0.000 0.426 30 K N -1.970 118.419 120.400 -0.019 0.000 2.148 30 K HA -0.235 4.102 4.320 -0.025 -0.032 0.204 30 K C 1.886 178.492 176.600 0.011 0.000 1.050 30 K CA 2.652 58.932 56.287 -0.011 0.000 0.942 30 K CB -0.444 32.052 32.500 -0.007 0.000 0.724 30 K HN -0.648 7.565 8.250 -0.019 0.026 0.446 31 K N -1.848 118.559 120.400 0.012 0.000 2.487 31 K HA -0.072 4.267 4.320 0.032 0.000 0.192 31 K C 1.007 177.625 176.600 0.030 0.000 1.027 31 K CA 0.676 56.977 56.287 0.024 0.000 1.054 31 K CB -0.266 32.245 32.500 0.019 0.000 0.824 31 K HN 0.149 8.244 8.250 0.005 0.158 0.510 32 R N -2.452 118.061 120.500 0.023 0.000 2.323 32 R HA -0.027 4.336 4.340 0.038 0.000 0.198 32 R C -1.242 175.087 176.300 0.047 0.000 0.988 32 R CA -1.108 55.011 56.100 0.032 0.000 1.041 32 R CB -0.404 29.908 30.300 0.019 0.000 0.926 32 R HN -0.568 7.541 8.270 0.011 0.167 0.476 33 K N -1.268 119.163 120.400 0.052 0.000 6.826 33 K HA -0.401 3.975 4.320 0.095 0.000 0.788 33 K C -1.339 175.306 176.600 0.075 0.000 2.287 33 K CA 1.245 57.581 56.287 0.082 0.000 1.704 33 K CB -1.290 31.269 32.500 0.100 0.000 2.053 33 K HN -0.625 7.555 8.250 0.044 0.096 0.296 34 K N 3.462 123.908 120.400 0.077 0.000 2.606 34 K HA 0.179 4.689 4.320 0.043 -0.164 0.199 34 K C -0.980 175.704 176.600 0.142 0.000 1.403 34 K CA 0.244 56.558 56.287 0.046 0.000 1.011 34 K CB 1.917 34.375 32.500 -0.070 0.000 1.623 34 K HN -0.282 8.028 8.250 0.099 0.000 0.512 35 A N 0.772 123.701 122.820 0.180 0.000 2.540 35 A HA 0.075 4.825 4.320 0.317 -0.239 0.239 35 A C -0.064 177.751 177.584 0.386 0.000 1.061 35 A CA 0.585 52.827 52.037 0.343 0.000 0.758 35 A CB 0.571 19.899 19.000 0.545 0.000 0.991 35 A HN -0.244 7.992 8.150 0.144 0.000 0.502 36 V N -1.774 118.428 119.914 0.479 0.000 3.177 36 V HA 0.322 4.672 4.120 0.385 0.000 0.287 36 V C -2.488 173.885 176.094 0.465 0.000 1.465 36 V CA -1.697 60.890 62.300 0.478 0.000 1.020 36 V CB 3.159 35.312 31.823 0.550 0.000 1.152 36 V HN 0.401 8.788 8.190 0.518 0.114 0.448 37 I N 0.608 121.360 120.570 0.304 0.000 2.466 37 I HA 0.222 4.368 4.170 -0.228 -0.113 0.289 37 I C -0.249 175.951 176.117 0.139 0.000 1.026 37 I CA -0.849 60.467 61.300 0.025 0.000 1.078 37 I CB 2.793 40.780 38.000 -0.021 0.000 1.249 37 I HN -0.035 8.359 8.210 0.307 0.000 0.429 38 F N 4.575 124.685 119.950 0.266 0.000 2.363 38 F HA 0.570 5.284 4.527 0.189 -0.073 0.332 38 F C -0.565 175.347 175.800 0.186 0.000 1.039 38 F CA -2.980 55.151 58.000 0.217 0.000 1.127 38 F CB 2.155 41.301 39.000 0.243 0.000 1.701 38 F HN 0.772 8.245 8.300 -1.378 0.000 0.532 39 C N -6.311 113.209 119.300 0.368 0.000 3.727 39 C HA 0.286 4.959 4.460 0.355 0.000 0.391 39 C C -1.674 173.420 174.990 0.173 0.000 2.615 39 C CA -0.876 58.298 59.018 0.260 0.000 1.422 39 C CB 1.075 28.915 27.740 0.167 0.000 2.171 39 C HN 0.414 8.903 8.230 0.425 -0.004 0.500 40 L N -3.548 117.778 121.223 0.173 0.000 1.714 40 L HA -0.366 4.367 4.340 0.061 -0.356 0.484 40 L C -0.723 176.184 176.870 0.061 0.000 1.002 40 L CA 0.175 55.053 54.840 0.065 0.000 1.207 40 L CB -1.584 40.454 42.059 -0.035 0.000 1.513 40 L HN -0.632 7.866 8.230 0.261 -0.111 0.810 41 S N 1.854 117.586 115.700 0.054 0.000 2.850 41 S HA -0.186 4.321 4.470 0.061 0.000 0.252 41 S C 0.605 175.223 174.600 0.029 0.000 1.410 41 S CA 0.500 58.728 58.200 0.046 0.000 1.006 41 S CB 1.048 64.269 63.200 0.035 0.000 0.912 41 S HN -0.064 8.276 8.310 0.051 0.000 0.533 42 A N -0.878 121.956 122.820 0.023 0.000 2.440 42 A HA -0.084 4.246 4.320 0.016 0.000 0.251 42 A C -0.105 177.482 177.584 0.004 0.000 1.089 42 A CA 1.756 53.802 52.037 0.015 0.000 0.779 42 A CB -0.202 18.807 19.000 0.015 0.000 1.022 42 A HN 0.111 8.276 8.150 0.026 0.000 0.492 43 D N -1.372 119.026 120.400 -0.002 0.000 2.439 43 D HA -0.218 4.414 4.640 -0.012 0.000 0.172 43 D C -0.981 175.305 176.300 -0.024 0.000 1.026 43 D CA 1.522 55.515 54.000 -0.012 0.000 1.043 43 D CB 0.189 40.983 40.800 -0.010 0.000 1.098 43 D HN 0.249 8.620 8.370 0.000 0.000 0.467 44 K N -2.918 117.468 120.400 -0.022 0.000 5.381 44 K HA -0.380 3.986 4.320 -0.036 -0.067 0.853 44 K C -1.721 174.843 176.600 -0.060 0.000 1.661 44 K CA 1.339 57.599 56.287 -0.046 0.000 1.556 44 K CB -1.261 31.199 32.500 -0.067 0.000 2.466 44 K HN -0.203 7.917 8.250 -0.009 0.124 0.269 45 K N 1.205 121.577 120.400 -0.047 0.000 1.839 45 K HA 0.093 4.369 4.320 -0.073 0.000 0.311 45 K C -0.743 175.846 176.600 -0.019 0.000 1.042 45 K CA -0.850 55.410 56.287 -0.045 0.000 0.518 45 K CB 1.605 34.090 32.500 -0.024 0.000 3.438 45 K HN -0.141 8.068 8.250 -0.025 0.026 1.216 46 C N 2.134 121.438 119.300 0.008 0.000 1.898 46 C HA -0.226 4.381 4.460 0.032 -0.128 0.408 46 C C 0.590 175.624 174.990 0.073 0.000 1.543 46 C CA 1.144 60.182 59.018 0.034 0.000 1.487 46 C CB 0.093 27.852 27.740 0.031 0.000 2.688 46 C HN 0.291 8.523 8.230 0.003 0.000 0.577 47 I N 4.675 125.312 120.570 0.112 0.000 2.993 47 I HA -0.279 4.076 4.170 0.309 0.000 0.301 47 I C -1.478 174.754 176.117 0.192 0.000 1.229 47 I CA 2.324 63.763 61.300 0.232 0.000 1.435 47 I CB 0.465 38.607 38.000 0.237 0.000 1.328 47 I HN 0.339 8.724 8.210 0.094 -0.118 0.584 48 I N 5.568 126.334 120.570 0.327 0.000 2.739 48 I HA -0.018 4.242 4.170 0.149 0.000 0.287 48 I C -2.246 174.083 176.117 0.352 0.000 1.558 48 I CA -1.023 60.424 61.300 0.245 0.000 1.050 48 I CB 4.232 42.324 38.000 0.153 0.000 1.432 48 I HN 0.217 8.830 8.210 0.484 -0.112 0.432 49 V N 8.744 128.845 119.914 0.312 0.000 2.382 49 V HA -0.157 4.410 4.120 0.411 -0.201 0.250 49 V C -0.693 175.523 176.094 0.205 0.000 1.069 49 V CA 0.489 62.980 62.300 0.318 0.000 1.130 49 V CB -1.017 30.970 31.823 0.273 0.000 1.165 49 V HN -0.038 8.554 8.190 0.215 -0.273 0.483 50 E N 9.403 129.714 120.200 0.185 0.000 2.829 50 E HA 0.167 4.583 4.350 0.111 0.000 0.350 50 E C -1.637 175.024 176.600 0.101 0.000 1.119 50 E CA -0.480 55.994 56.400 0.124 0.000 0.764 50 E CB 0.543 30.307 29.700 0.107 0.000 1.576 50 E HN -0.253 8.235 8.360 0.214 0.000 0.379 51 E N 2.175 122.428 120.200 0.088 0.000 1.669 51 E HA 0.015 4.398 4.350 0.055 0.000 0.205 51 E C -1.109 175.521 176.600 0.051 0.000 0.997 51 E CA 0.271 56.710 56.400 0.064 0.000 1.175 51 E CB 0.048 29.790 29.700 0.069 0.000 4.216 51 E HN -0.261 8.156 8.360 0.094 0.000 0.831 52 G N 0.602 109.437 108.800 0.059 0.000 2.953 52 G HA2 -0.224 3.771 3.960 0.058 0.000 0.203 52 G HA3 -0.224 3.757 3.960 0.034 0.000 0.203 52 G C -1.102 173.816 174.900 0.029 0.000 1.094 52 G CA 0.151 45.278 45.100 0.046 0.000 1.016 52 G HN 0.147 8.485 8.290 0.080 0.000 0.535 53 K N -0.464 119.963 120.400 0.046 0.000 1.757 53 K HA 0.240 4.539 4.320 -0.035 0.000 0.294 53 K C -1.559 175.090 176.600 0.082 0.000 0.907 53 K CA -1.712 54.580 56.287 0.008 0.000 0.665 53 K CB 1.985 34.460 32.500 -0.041 0.000 3.156 53 K HN -0.450 7.848 8.250 0.080 0.000 1.117 54 E N -2.229 118.045 120.200 0.122 0.000 7.683 54 E HA -0.318 4.291 4.350 0.325 -0.065 0.459 54 E C -2.577 174.175 176.600 0.252 0.000 0.466 54 E CA 0.674 57.216 56.400 0.237 0.000 0.834 54 E CB -0.326 29.507 29.700 0.222 0.000 0.971 54 E HN -0.055 8.343 8.360 0.063 0.000 0.262 55 I N 2.200 122.978 120.570 0.346 0.000 3.217 55 I HA 0.065 4.430 4.170 0.324 0.000 0.308 55 I C -0.832 175.440 176.117 0.258 0.000 1.091 55 I CA -1.513 60.000 61.300 0.355 0.000 1.013 55 I CB 2.575 40.877 38.000 0.502 0.000 1.250 55 I HN 0.278 8.580 8.210 0.402 0.149 0.496 56 L N 0.250 121.593 121.223 0.201 0.000 2.766 56 L HA 0.277 4.689 4.340 0.120 0.000 0.242 56 L C 0.904 177.834 176.870 0.100 0.000 1.136 56 L CA -0.052 54.863 54.840 0.126 0.000 0.933 56 L CB -0.935 41.172 42.059 0.080 0.000 1.241 56 L HN 0.493 8.842 8.230 0.199 0.000 0.522 57 V N -3.575 116.431 119.914 0.154 0.000 0.508 57 V HA -0.529 3.672 4.120 0.135 0.000 0.092 57 V C 0.196 176.326 176.094 0.060 0.000 2.282 57 V CA 2.580 64.927 62.300 0.078 0.000 3.591 57 V CB -2.448 29.349 31.823 -0.044 0.000 0.878 57 V HN -0.247 8.096 8.190 0.255 0.000 0.919 58 G N -1.291 107.529 108.800 0.033 0.000 2.421 58 G HA2 -0.179 3.788 3.960 0.011 0.000 0.217 58 G HA3 -0.179 3.787 3.960 0.009 0.000 0.217 58 G C 0.960 175.874 174.900 0.025 0.000 1.143 58 G CA 1.377 46.489 45.100 0.019 0.000 0.784 58 G HN -0.090 8.139 8.290 0.030 0.078 0.541 59 D N 1.095 121.514 120.400 0.031 0.000 2.157 59 D HA -0.309 4.326 4.640 -0.009 0.000 0.191 59 D C 0.255 176.549 176.300 -0.010 0.000 1.004 59 D CA 2.363 56.363 54.000 0.000 0.000 0.854 59 D CB -0.502 40.292 40.800 -0.011 0.000 0.936 59 D HN 0.073 8.471 8.370 0.047 0.000 0.446 60 V N -1.050 118.884 119.914 0.033 0.000 2.906 60 V HA -0.351 3.777 4.120 0.014 0.000 0.265 60 V C 0.519 176.628 176.094 0.026 0.000 0.954 60 V CA 1.958 64.288 62.300 0.051 0.000 1.161 60 V CB -1.108 30.803 31.823 0.147 0.000 0.849 60 V HN -0.280 7.966 8.190 0.080 -0.008 0.460 61 G N 4.727 113.524 108.800 -0.005 0.000 2.935 61 G HA2 -0.143 3.832 3.960 0.009 0.000 0.213 61 G HA3 -0.143 3.820 3.960 0.006 0.000 0.213 61 G C -1.483 173.406 174.900 -0.019 0.000 0.984 61 G CA -0.027 45.072 45.100 -0.001 0.000 0.790 61 G HN -0.134 8.060 8.290 -0.036 0.075 0.538 62 V N 1.564 121.454 119.914 -0.039 0.000 3.945 62 V HA 0.323 4.425 4.120 -0.030 0.000 0.196 62 V C 0.670 176.723 176.094 -0.068 0.000 1.110 62 V CA 1.235 63.509 62.300 -0.044 0.000 1.411 62 V CB 0.856 32.655 31.823 -0.041 0.000 1.707 62 V HN 0.161 8.320 8.190 -0.052 0.000 0.477 63 T N 0.488 114.980 114.554 -0.103 0.000 3.072 63 T HA -0.134 4.162 4.350 -0.090 0.000 0.266 63 T C -0.901 173.681 174.700 -0.196 0.000 1.127 63 T CA 2.170 64.188 62.100 -0.136 0.000 1.107 63 T CB -0.015 68.754 68.868 -0.164 0.000 0.910 63 T HN 0.098 8.276 8.240 -0.104 0.000 0.513 64 I N -5.498 114.953 120.570 -0.197 0.000 3.617 64 I HA 0.287 4.366 4.170 -0.151 0.000 0.283 64 I C -1.753 174.334 176.117 -0.051 0.000 1.160 64 I CA -1.877 59.323 61.300 -0.167 0.000 1.084 64 I CB 1.957 39.813 38.000 -0.242 0.000 1.365 64 I HN -0.873 7.264 8.210 -0.156 -0.020 0.494 65 T N -6.241 108.316 114.554 0.005 0.000 4.168 65 T HA 0.188 4.598 4.350 0.025 -0.045 0.322 65 T C -1.206 173.545 174.700 0.085 0.000 0.896 65 T CA -0.339 61.783 62.100 0.036 0.000 0.949 65 T CB 1.180 70.065 68.868 0.027 0.000 1.125 65 T HN -0.199 8.055 8.240 0.023 0.000 0.504 66 D N -2.524 117.950 120.400 0.122 0.000 2.277 66 D HA -0.200 4.554 4.640 0.189 0.000 0.167 66 D C -1.724 174.751 176.300 0.291 0.000 0.974 66 D CA 2.033 56.143 54.000 0.183 0.000 1.013 66 D CB -1.891 38.997 40.800 0.146 0.000 1.086 66 D HN 0.007 8.442 8.370 0.110 0.000 0.498 67 P HA 0.065 4.897 4.420 0.686 0.000 0.273 67 P C -0.497 177.141 177.300 0.563 0.000 1.324 67 P CA 0.909 64.290 63.100 0.469 0.000 0.728 67 P CB 0.443 32.294 31.700 0.252 0.000 1.614 68 F N -7.939 112.104 119.950 0.155 0.000 2.531 68 F HA 0.156 4.549 4.527 -0.223 0.000 0.410 68 F C -0.686 175.081 175.800 -0.055 0.000 0.829 68 F CA 0.695 58.686 58.000 -0.016 0.000 0.913 68 F CB -0.428 38.651 39.000 0.131 0.000 1.106 68 F HN -0.424 7.928 8.300 0.086 0.000 0.594 69 K N -0.060 119.039 120.400 -2.168 0.000 2.144 69 K HA -0.433 2.700 4.320 -1.978 0.000 0.209 69 K C 1.204 177.369 176.600 -0.725 0.000 1.047 69 K CA 2.989 58.322 56.287 -1.591 0.000 0.927 69 K CB -1.596 30.360 32.500 -0.907 0.000 0.716 69 K HN 0.343 7.448 8.250 -1.908 0.000 0.454 70 H N -0.313 118.471 119.070 -0.475 0.000 2.289 70 H HA -0.288 4.106 4.556 -0.271 0.000 0.296 70 H C 1.697 176.847 175.328 -0.296 0.000 1.091 70 H CA 3.176 59.047 56.048 -0.295 0.000 1.274 70 H CB -0.650 29.002 29.762 -0.183 0.000 1.364 70 H HN -0.081 8.021 8.280 -0.278 0.011 0.490 71 F N -0.507 118.750 119.950 -1.155 0.000 2.269 71 F HA -0.280 3.462 4.527 -1.308 0.000 0.301 71 F C 1.533 176.825 175.800 -0.846 0.000 1.082 71 F CA 2.690 60.061 58.000 -1.049 0.000 1.360 71 F CB -0.233 38.320 39.000 -0.745 0.000 1.041 71 F HN -0.163 7.859 8.300 -0.339 0.074 0.512 72 V N -2.845 116.603 119.914 -0.776 0.000 2.626 72 V HA -0.220 3.190 4.120 -1.182 0.000 0.252 72 V C 2.027 177.613 176.094 -0.847 0.000 1.067 72 V CA 2.490 64.254 62.300 -0.893 0.000 1.081 72 V CB -0.960 30.495 31.823 -0.613 0.000 0.686 72 V HN -0.711 6.952 8.190 -0.626 0.152 0.468 73 G N -0.597 107.787 108.800 -0.693 0.000 2.422 73 G HA2 -0.226 3.507 3.960 -0.378 0.000 0.218 73 G HA3 -0.226 3.529 3.960 -0.399 -0.035 0.218 73 G C 0.431 175.030 174.900 -0.501 0.000 1.146 73 G CA 1.916 46.727 45.100 -0.482 0.000 0.769 73 G HN -0.134 7.562 8.290 -0.720 0.161 0.547 74 M N -1.445 117.739 119.600 -0.694 0.000 2.630 74 M HA -0.206 4.059 4.480 -0.359 0.000 0.254 74 M C -1.259 174.669 176.300 -0.621 0.000 1.092 74 M CA 1.239 56.195 55.300 -0.574 0.000 1.087 74 M CB 0.079 32.301 32.600 -0.630 0.000 1.453 74 M HN -0.736 6.873 8.290 -0.900 0.141 0.509 75 L N -2.051 118.648 121.223 -0.874 0.000 2.321 75 L HA 0.325 4.294 4.340 -0.618 0.000 0.272 75 L C -2.287 174.417 176.870 -0.277 0.000 1.050 75 L CA -2.836 51.364 54.840 -1.067 0.000 0.893 75 L CB -0.442 40.122 42.059 -2.492 0.000 1.272 75 L HN -0.598 6.898 8.230 -0.950 0.165 0.435 76 P HA 0.217 4.717 4.420 0.134 0.000 0.318 76 P C -0.542 177.041 177.300 0.471 0.000 1.309 76 P CA -1.284 61.981 63.100 0.276 0.000 0.736 76 P CB 1.093 32.867 31.700 0.124 0.000 1.440 77 E N -4.679 115.637 120.200 0.193 0.000 2.473 77 E HA -0.057 4.277 4.350 -0.027 0.000 0.204 77 E C -0.206 176.368 176.600 -0.043 0.000 0.994 77 E CA 1.044 57.472 56.400 0.047 0.000 0.945 77 E CB 0.401 30.128 29.700 0.045 0.000 0.990 77 E HN 0.142 8.578 8.360 0.126 0.000 0.493 78 K N -2.287 118.113 120.400 0.000 0.000 2.437 78 K HA -0.112 4.184 4.320 -0.040 0.000 0.198 78 K C -1.414 175.167 176.600 -0.030 0.000 1.024 78 K CA -0.082 56.192 56.287 -0.022 0.000 1.148 78 K CB -0.330 32.168 32.500 -0.002 0.000 0.860 78 K HN -0.284 7.993 8.250 0.044 0.000 0.515 79 D N -1.906 118.467 120.400 -0.046 0.000 2.717 79 D HA 0.173 4.787 4.640 -0.043 0.000 0.223 79 D C -1.932 174.288 176.300 -0.133 0.000 1.240 79 D CA -0.437 53.541 54.000 -0.037 0.000 0.801 79 D CB 3.252 44.073 40.800 0.035 0.000 1.556 79 D HN -0.542 7.722 8.370 -0.056 0.073 0.462 80 C N -2.743 116.501 119.300 -0.094 0.000 2.711 80 C HA 0.897 5.231 4.460 -0.475 -0.159 0.410 80 C C -0.606 174.384 174.990 0.000 0.000 1.553 80 C CA -1.999 56.919 59.018 -0.167 0.000 1.759 80 C CB 4.342 32.047 27.740 -0.059 0.000 2.077 80 C HN 0.145 8.366 8.230 -0.015 0.000 0.483 81 R N -6.324 114.033 120.500 -0.238 0.000 3.452 81 R HA 0.061 4.205 4.340 -0.326 0.000 0.279 81 R C -2.613 173.326 176.300 -0.601 0.000 0.955 81 R CA -0.439 55.422 56.100 -0.398 0.000 0.835 81 R CB 0.554 30.816 30.300 -0.063 0.000 1.357 81 R HN 0.219 8.256 8.270 -0.388 0.000 0.536 82 Y N -0.580 119.324 120.300 -0.661 0.000 2.331 82 Y HA 0.608 4.990 4.550 -0.696 -0.250 0.338 82 Y C -0.858 174.267 175.900 -1.293 0.000 0.992 82 Y CA -3.078 54.602 58.100 -0.699 0.000 1.121 82 Y CB 1.908 40.331 38.460 -0.062 0.000 1.184 82 Y HN 0.320 8.354 8.280 -0.410 0.000 0.469 83 A N 3.181 125.858 122.820 -0.238 0.000 2.422 83 A HA 0.740 4.667 4.320 -0.768 -0.068 0.302 83 A C -2.242 175.713 177.584 0.618 0.000 1.041 83 A CA -1.771 50.239 52.037 -0.045 0.000 0.708 83 A CB 3.713 22.910 19.000 0.328 0.000 1.257 83 A HN 0.685 8.855 8.150 0.092 0.035 0.414 84 L N 2.454 124.120 121.223 0.739 0.000 2.294 84 L HA 0.342 5.179 4.340 0.553 -0.165 0.283 84 L C -1.141 175.977 176.870 0.414 0.000 1.015 84 L CA -1.075 54.121 54.840 0.592 0.000 0.831 84 L CB 1.322 43.697 42.059 0.526 0.000 1.217 84 L HN 0.219 8.937 8.230 0.813 0.000 0.420 85 Y N 6.253 126.636 120.300 0.140 0.000 2.342 85 Y HA 0.122 4.704 4.550 0.054 0.000 0.338 85 Y C -2.036 173.861 175.900 -0.006 0.000 0.965 85 Y CA -2.194 55.885 58.100 -0.034 0.000 1.159 85 Y CB 1.824 39.984 38.460 -0.500 0.000 1.157 85 Y HN -0.138 8.376 8.280 0.391 0.000 0.486 86 D N 8.418 128.428 120.400 -0.650 0.000 2.503 86 D HA -0.296 4.090 4.640 -0.423 0.000 0.280 86 D C -1.221 174.381 176.300 -1.162 0.000 1.405 86 D CA 1.233 54.830 54.000 -0.672 0.000 1.049 86 D CB 0.368 40.916 40.800 -0.421 0.000 1.127 86 D HN 0.388 8.584 8.370 -0.291 0.000 0.551 87 A N 4.790 127.216 122.820 -0.657 0.000 2.354 87 A HA 0.048 4.092 4.320 -0.459 0.000 0.281 87 A C -1.069 176.484 177.584 -0.052 0.000 1.174 87 A CA -0.228 51.625 52.037 -0.307 0.000 0.828 87 A CB 1.326 20.358 19.000 0.052 0.000 1.099 87 A HN -0.588 7.443 8.150 -0.375 -0.106 0.516 88 S N 3.929 119.618 115.700 -0.018 0.000 2.512 88 S HA 0.121 4.503 4.470 -0.147 0.000 0.291 88 S C -1.633 172.974 174.600 0.012 0.000 1.151 88 S CA -0.707 57.465 58.200 -0.048 0.000 1.120 88 S CB 0.053 63.229 63.200 -0.040 0.000 1.029 88 S HN 0.282 8.612 8.310 0.035 0.000 0.485 89 F N 1.959 121.792 119.950 -0.195 0.000 2.588 89 F HA 0.366 4.797 4.527 -0.159 0.000 0.310 89 F C -1.831 173.910 175.800 -0.099 0.000 1.082 89 F CA -2.117 55.764 58.000 -0.199 0.000 0.929 89 F CB 1.879 40.650 39.000 -0.381 0.000 1.254 89 F HN -0.660 7.351 8.300 -0.482 0.000 0.455 90 E N 1.442 121.592 120.200 -0.083 0.000 4.452 90 E HA 0.097 4.433 4.350 -0.290 -0.160 0.538 90 E C -0.590 176.005 176.600 -0.009 0.000 0.919 90 E CA 0.835 57.152 56.400 -0.139 0.000 3.456 90 E CB 0.772 30.461 29.700 -0.019 0.000 2.092 90 E HN 0.421 8.833 8.360 0.086 0.000 0.530 91 T N -5.528 109.062 114.554 0.062 0.000 2.594 91 T HA -0.097 4.383 4.350 0.210 -0.004 0.256 91 T C -1.168 173.575 174.700 0.071 0.000 2.028 91 T CA -0.245 61.941 62.100 0.144 0.000 0.967 91 T CB 0.324 69.312 68.868 0.201 0.000 2.232 91 T HN -0.381 7.876 8.240 0.029 0.000 0.431 92 K N 1.191 121.636 120.400 0.075 0.000 2.281 92 K HA -0.242 4.100 4.320 0.038 0.000 0.203 92 K C 0.928 177.540 176.600 0.020 0.000 1.046 92 K CA 2.282 58.594 56.287 0.043 0.000 0.938 92 K CB -0.018 32.508 32.500 0.043 0.000 0.737 92 K HN 0.174 8.417 8.250 0.099 0.067 0.458 93 E N -3.424 116.785 120.200 0.015 0.000 2.230 93 E HA -0.140 4.201 4.350 -0.016 0.000 0.192 93 E C -0.751 175.819 176.600 -0.051 0.000 0.987 93 E CA 0.253 56.641 56.400 -0.020 0.000 0.841 93 E CB 0.580 30.262 29.700 -0.029 0.000 0.783 93 E HN -0.540 7.801 8.360 0.039 0.042 0.481 94 S N -4.474 111.190 115.700 -0.059 0.000 4.150 94 S HA -0.251 4.258 4.470 -0.051 -0.070 0.643 94 S C -1.363 173.130 174.600 -0.179 0.000 1.100 94 S CA 0.103 58.253 58.200 -0.083 0.000 1.273 94 S CB -0.174 62.986 63.200 -0.068 0.000 0.323 94 S HN -0.279 7.890 8.310 -0.032 0.122 1.774 95 R N 3.260 123.660 120.500 -0.166 0.000 3.236 95 R HA -0.246 4.042 4.340 -0.292 -0.123 0.350 95 R C -0.648 175.466 176.300 -0.310 0.000 0.770 95 R CA 1.167 57.125 56.100 -0.237 0.000 1.049 95 R CB -0.686 29.524 30.300 -0.150 0.000 0.909 95 R HN 0.248 8.452 8.270 -0.110 0.000 0.381 96 K N 7.052 127.139 120.400 -0.523 0.000 2.723 96 K HA 0.122 4.246 4.320 -0.327 0.000 0.229 96 K C -1.741 174.463 176.600 -0.659 0.000 1.022 96 K CA -1.189 54.805 56.287 -0.488 0.000 1.045 96 K CB 1.016 33.275 32.500 -0.402 0.000 1.227 96 K HN -0.045 7.757 8.250 -0.746 0.000 0.516 97 E N 5.408 125.355 120.200 -0.421 0.000 2.491 97 E HA -0.251 4.135 4.350 -0.318 -0.227 0.250 97 E C -0.764 175.723 176.600 -0.189 0.000 1.061 97 E CA 0.940 57.156 56.400 -0.307 0.000 0.942 97 E CB 0.474 30.035 29.700 -0.231 0.000 0.957 97 E HN 0.160 8.323 8.360 -0.327 0.000 0.480 98 E N 7.369 127.600 120.200 0.052 0.000 2.402 98 E HA 0.316 4.629 4.350 -0.061 0.000 0.244 98 E C -0.673 175.985 176.600 0.097 0.000 0.945 98 E CA -2.049 54.420 56.400 0.116 0.000 0.774 98 E CB 1.195 31.055 29.700 0.267 0.000 1.296 98 E HN -0.110 8.398 8.360 0.245 0.000 0.414 99 L N 1.720 122.896 121.223 -0.078 0.000 2.453 99 L HA 0.011 4.625 4.340 -0.140 -0.358 0.283 99 L C -0.786 176.097 176.870 0.021 0.000 1.284 99 L CA 0.625 55.416 54.840 -0.082 0.000 0.822 99 L CB 0.674 42.659 42.059 -0.122 0.000 1.081 99 L HN -0.265 7.878 8.230 -0.145 0.000 0.562 100 M N -3.599 116.063 119.600 0.103 0.000 2.284 100 M HA 0.058 4.678 4.480 0.101 -0.080 0.281 100 M C -0.735 175.632 176.300 0.111 0.000 1.083 100 M CA -1.030 54.321 55.300 0.085 0.000 0.965 100 M CB 3.575 36.176 32.600 0.002 0.000 1.717 100 M HN -0.579 7.808 8.290 0.162 0.000 0.479 101 F N 4.197 124.110 119.950 -0.062 0.000 2.629 101 F HA -0.148 4.637 4.527 0.291 -0.083 0.377 101 F C -1.320 174.367 175.800 -0.188 0.000 1.101 101 F CA -0.213 57.818 58.000 0.051 0.000 1.301 101 F CB 0.584 39.621 39.000 0.063 0.000 1.062 101 F HN -0.388 7.956 8.300 0.223 0.090 0.583 102 F N 6.375 126.401 119.950 0.126 0.000 2.500 102 F HA 0.422 5.235 4.527 0.076 -0.241 0.349 102 F C 0.124 175.857 175.800 -0.111 0.000 1.127 102 F CA -1.687 56.350 58.000 0.061 0.000 0.998 102 F CB 2.258 41.434 39.000 0.294 0.000 1.237 102 F HN -0.145 8.448 8.300 0.369 -0.071 0.439 103 L N 5.154 126.379 121.223 0.004 0.000 2.955 103 L HA 0.181 4.700 4.340 0.092 -0.124 0.238 103 L C 0.043 177.007 176.870 0.155 0.000 1.359 103 L CA -1.958 52.892 54.840 0.017 0.000 1.214 103 L CB -2.428 39.610 42.059 -0.035 0.000 1.600 103 L HN 0.526 8.636 8.230 -0.023 0.107 0.442 104 W N 3.041 124.360 121.300 0.032 0.000 2.841 104 W HA -0.489 4.219 4.660 0.079 0.000 0.396 104 W C -2.001 174.490 176.519 -0.047 0.000 1.229 104 W CA 0.395 57.745 57.345 0.009 0.000 1.288 104 W CB -0.497 28.921 29.460 -0.069 0.000 1.397 104 W HN -0.314 8.008 8.180 0.443 0.123 0.586 105 A N 8.267 130.797 122.820 -0.484 0.000 2.410 105 A HA 0.560 4.543 4.320 -0.561 0.000 0.289 105 A C -3.004 174.164 177.584 -0.694 0.000 1.200 105 A CA -3.124 48.593 52.037 -0.535 0.000 0.751 105 A CB 2.293 21.180 19.000 -0.187 0.000 1.161 105 A HN 0.557 8.582 8.150 -0.210 0.000 0.459 106 P HA 0.153 4.186 4.420 -0.644 0.000 0.275 106 P C 0.009 177.134 177.300 -0.292 0.000 1.227 106 P CA -0.803 61.935 63.100 -0.604 0.000 0.781 106 P CB 1.001 32.390 31.700 -0.518 0.000 0.906 107 E N 1.478 121.567 120.200 -0.185 0.000 2.515 107 E HA -0.232 4.056 4.350 -0.102 0.000 0.201 107 E C 0.918 177.464 176.600 -0.090 0.000 1.071 107 E CA 2.627 58.963 56.400 -0.106 0.000 0.880 107 E CB -0.554 29.109 29.700 -0.062 0.000 0.828 107 E HN 0.667 8.923 8.360 -0.173 0.000 0.540 108 L N -5.634 115.525 121.223 -0.107 0.000 2.537 108 L HA 0.152 4.456 4.340 -0.059 0.000 0.224 108 L C -0.643 176.176 176.870 -0.085 0.000 1.065 108 L CA -0.226 54.568 54.840 -0.077 0.000 0.860 108 L CB 0.425 42.448 42.059 -0.060 0.000 1.086 108 L HN -0.548 7.494 8.230 -0.145 0.100 0.482 109 A N 0.937 123.684 122.820 -0.123 0.000 2.599 109 A HA -0.130 4.133 4.320 -0.095 0.000 0.240 109 A C -1.740 175.797 177.584 -0.079 0.000 1.109 109 A CA -0.258 51.712 52.037 -0.112 0.000 0.798 109 A CB -1.357 17.551 19.000 -0.153 0.000 1.050 109 A HN -0.821 7.123 8.150 -0.167 0.106 0.518 110 P HA 0.061 4.451 4.420 -0.049 0.000 0.276 110 P C 0.123 177.387 177.300 -0.060 0.000 1.235 110 P CA -0.334 62.732 63.100 -0.056 0.000 0.772 110 P CB 0.715 32.384 31.700 -0.051 0.000 0.871 111 L N 2.382 123.574 121.223 -0.052 0.000 2.283 111 L HA -0.509 3.803 4.340 -0.047 0.000 0.217 111 L C 1.582 178.415 176.870 -0.062 0.000 1.104 111 L CA 4.083 58.893 54.840 -0.049 0.000 0.772 111 L CB -0.858 41.178 42.059 -0.039 0.000 0.899 111 L HN 0.498 8.700 8.230 -0.046 0.000 0.439 112 K N -2.696 117.662 120.400 -0.071 0.000 2.057 112 K HA -0.322 3.943 4.320 -0.091 0.000 0.206 112 K C 1.971 178.483 176.600 -0.147 0.000 1.050 112 K CA 2.791 59.020 56.287 -0.096 0.000 0.935 112 K CB -0.705 31.743 32.500 -0.088 0.000 0.715 112 K HN -0.054 8.102 8.250 -0.063 0.056 0.439 113 S N -2.939 112.682 115.700 -0.133 0.000 2.710 113 S HA -0.003 4.238 4.470 -0.382 0.000 0.224 113 S C 0.314 174.887 174.600 -0.045 0.000 0.948 113 S CA -0.022 58.073 58.200 -0.176 0.000 0.949 113 S CB -0.732 62.427 63.200 -0.070 0.000 0.778 113 S HN -0.187 8.064 8.310 -0.097 0.000 0.498 114 K N -0.400 119.970 120.400 -0.051 0.000 2.424 114 K HA 0.205 4.565 4.320 0.066 0.000 0.198 114 K C 0.765 177.368 176.600 0.006 0.000 1.190 114 K CA 0.774 57.063 56.287 0.004 0.000 0.935 114 K CB 1.029 33.509 32.500 -0.032 0.000 1.087 114 K HN -0.592 7.393 8.250 -0.082 0.217 0.524 115 M N -2.160 117.417 119.600 -0.037 0.000 2.510 115 M HA 0.027 4.507 4.480 -0.000 0.000 0.256 115 M C 1.357 177.627 176.300 -0.050 0.000 1.132 115 M CA 1.832 57.116 55.300 -0.027 0.000 1.105 115 M CB 0.828 33.406 32.600 -0.038 0.000 1.375 115 M HN -0.178 8.073 8.290 -0.064 0.000 0.477 116 I N 0.263 120.751 120.570 -0.136 0.000 2.235 116 I HA -0.352 3.815 4.170 -0.151 -0.088 0.241 116 I C 2.463 178.468 176.117 -0.186 0.000 1.085 116 I CA 3.235 64.398 61.300 -0.227 0.000 1.378 116 I CB 0.422 38.151 38.000 -0.452 0.000 1.076 116 I HN -0.740 7.332 8.210 -0.162 0.040 0.415 117 Y N -2.063 118.195 120.300 -0.071 0.000 2.315 117 Y HA -0.406 4.103 4.550 -0.069 0.000 0.288 117 Y C 1.481 177.467 175.900 0.142 0.000 1.154 117 Y CA 3.210 61.295 58.100 -0.026 0.000 1.229 117 Y CB -1.692 36.672 38.460 -0.160 0.000 0.980 117 Y HN -0.017 8.059 8.280 -0.340 0.000 0.540 118 A N -2.416 120.527 122.820 0.205 0.000 1.915 118 A HA -0.353 4.062 4.320 0.159 0.000 0.220 118 A C 1.011 178.684 177.584 0.149 0.000 1.198 118 A CA 2.705 54.831 52.037 0.148 0.000 0.647 118 A CB -0.650 18.394 19.000 0.074 0.000 0.825 118 A HN -0.018 8.088 8.150 0.131 0.122 0.456 119 S N -5.787 109.987 115.700 0.123 0.000 2.559 119 S HA 0.059 4.599 4.470 0.116 0.000 0.226 119 S C 1.085 175.780 174.600 0.159 0.000 1.000 119 S CA 0.070 58.338 58.200 0.114 0.000 0.948 119 S CB 1.169 64.405 63.200 0.060 0.000 0.870 119 S HN -0.364 7.892 8.310 0.087 0.106 0.497 120 S N 2.845 118.680 115.700 0.226 0.000 2.461 120 S HA -0.190 4.399 4.470 0.198 0.000 0.228 120 S C -0.297 174.616 174.600 0.521 0.000 1.005 120 S CA 2.313 60.704 58.200 0.317 0.000 0.942 120 S CB 0.174 63.546 63.200 0.285 0.000 0.776 120 S HN -0.233 8.007 8.310 0.219 0.202 0.514 121 K N 0.121 120.843 120.400 0.537 0.000 2.187 121 K HA -0.108 4.440 4.320 0.381 0.000 0.242 121 K C -1.124 175.607 176.600 0.219 0.000 1.179 121 K CA 1.225 57.729 56.287 0.361 0.000 1.097 121 K CB -0.630 32.000 32.500 0.216 0.000 1.634 121 K HN -0.609 7.903 8.250 0.490 0.032 0.335 122 D N 2.041 122.554 120.400 0.189 0.000 1.149 122 D HA -0.059 4.635 4.640 0.089 0.000 0.854 122 D C -0.096 176.255 176.300 0.085 0.000 0.417 122 D CA 2.051 56.117 54.000 0.111 0.000 1.373 122 D CB 1.267 42.127 40.800 0.099 0.000 1.015 122 D HN 0.097 8.553 8.370 0.230 0.053 0.406 123 A N 1.425 124.313 122.820 0.113 0.000 1.854 123 A HA -0.222 4.127 4.320 0.047 0.000 0.214 123 A C 1.116 178.727 177.584 0.044 0.000 1.192 123 A CA 3.270 55.353 52.037 0.076 0.000 0.611 123 A CB 0.112 19.169 19.000 0.095 0.000 0.832 123 A HN -0.488 7.652 8.150 0.165 0.109 0.442 124 I N -1.333 119.287 120.570 0.082 0.000 2.286 124 I HA -0.474 3.591 4.170 -0.175 0.000 0.248 124 I C 1.463 177.467 176.117 -0.188 0.000 1.115 124 I CA 2.987 64.222 61.300 -0.107 0.000 1.392 124 I CB 0.266 38.280 38.000 0.023 0.000 1.065 124 I HN -0.109 8.222 8.210 0.201 0.000 0.418 125 K N -1.667 118.708 120.400 -0.042 0.000 2.209 125 K HA -0.376 3.942 4.320 -0.004 0.000 0.204 125 K C 1.386 177.969 176.600 -0.028 0.000 1.048 125 K CA 3.172 59.451 56.287 -0.013 0.000 0.940 125 K CB -0.588 31.931 32.500 0.032 0.000 0.729 125 K HN 0.177 8.461 8.250 0.046 -0.006 0.451 126 K N -3.160 117.224 120.400 -0.026 0.000 2.209 126 K HA -0.241 4.056 4.320 -0.038 0.000 0.204 126 K C 1.488 178.048 176.600 -0.067 0.000 1.048 126 K CA 2.321 58.586 56.287 -0.037 0.000 0.940 126 K CB -0.014 32.474 32.500 -0.020 0.000 0.729 126 K HN -0.564 7.528 8.250 -0.011 0.152 0.451 127 K N -5.239 115.125 120.400 -0.060 0.000 2.380 127 K HA 0.192 4.434 4.320 -0.130 0.000 0.198 127 K C 0.198 176.773 176.600 -0.043 0.000 1.070 127 K CA -1.113 55.134 56.287 -0.066 0.000 1.040 127 K CB 0.875 33.375 32.500 0.000 0.000 0.903 127 K HN -0.304 7.748 8.250 -0.055 0.165 0.549 128 F N 0.762 120.476 119.950 -0.393 0.000 2.898 128 F HA 0.128 4.307 4.527 -0.579 0.000 0.290 128 F C -0.473 175.038 175.800 -0.481 0.000 1.195 128 F CA -2.976 54.723 58.000 -0.502 0.000 1.387 128 F CB -1.230 37.426 39.000 -0.574 0.000 0.976 128 F HN 0.111 8.278 8.300 0.046 0.161 0.510 129 Q N -0.932 118.628 119.800 -0.400 0.000 2.028 129 Q HA -0.375 3.856 4.340 -0.181 0.000 0.215 129 Q C 1.604 177.472 176.000 -0.219 0.000 1.041 129 Q CA 2.754 58.378 55.803 -0.298 0.000 0.897 129 Q CB -0.383 28.140 28.738 -0.359 0.000 1.017 129 Q HN -0.272 7.580 8.270 -0.467 0.138 0.418 130 G N -2.496 106.161 108.800 -0.239 0.000 3.428 130 G HA2 0.069 3.983 3.960 -0.075 0.000 0.344 130 G HA3 0.069 4.050 3.960 0.036 0.000 0.344 130 G C -0.686 174.178 174.900 -0.060 0.000 1.256 130 G CA -1.231 43.832 45.100 -0.060 0.000 1.209 130 G HN -0.121 7.890 8.290 -0.465 0.000 0.470 131 I N 2.413 122.880 120.570 -0.172 0.000 2.530 131 I HA -0.289 3.565 4.170 -0.527 0.000 0.257 131 I C 0.380 176.390 176.117 -0.179 0.000 1.179 131 I CA 0.323 61.455 61.300 -0.281 0.000 1.440 131 I CB -0.127 37.741 38.000 -0.220 0.000 1.087 131 I HN -0.106 8.015 8.210 -0.148 0.000 0.440 132 K N -5.954 114.346 120.400 -0.168 0.000 4.998 132 K HA -0.379 3.754 4.320 -0.312 0.000 0.444 132 K C -0.396 175.895 176.600 -0.516 0.000 0.393 132 K CA 2.227 58.328 56.287 -0.310 0.000 1.908 132 K CB -1.899 30.449 32.500 -0.253 0.000 0.757 132 K HN 0.379 8.497 8.250 -0.133 0.052 0.588 133 H N -0.429 118.612 119.070 -0.048 0.000 3.093 133 H HA 0.263 4.784 4.556 -0.058 0.000 0.311 133 H C -2.010 173.302 175.328 -0.025 0.000 1.294 133 H CA -0.783 55.224 56.048 -0.067 0.000 1.628 133 H CB 2.040 31.716 29.762 -0.144 0.000 1.874 133 H HN -0.097 8.035 8.280 -0.045 0.122 0.574 134 E N 3.821 124.125 120.200 0.174 0.000 2.159 134 E HA -0.148 4.439 4.350 0.395 0.000 0.272 134 E C -1.677 174.927 176.600 0.006 0.000 1.138 134 E CA 0.220 56.742 56.400 0.204 0.000 0.915 134 E CB -0.794 29.043 29.700 0.227 0.000 1.028 134 E HN 0.337 8.790 8.360 0.155 0.000 0.423 135 C N 5.503 124.712 119.300 -0.152 0.000 2.346 135 C HA 0.277 4.653 4.460 -0.140 0.000 0.326 135 C C -1.304 173.580 174.990 -0.176 0.000 1.224 135 C CA -1.277 57.591 59.018 -0.249 0.000 1.408 135 C CB 2.623 30.055 27.740 -0.515 0.000 2.089 135 C HN 0.369 8.391 8.230 -0.163 0.109 0.456 136 Q N 8.161 127.939 119.800 -0.036 0.000 2.212 136 Q HA -0.048 4.422 4.340 0.075 -0.086 0.238 136 Q C -1.981 174.137 176.000 0.197 0.000 0.955 136 Q CA -0.356 55.487 55.803 0.068 0.000 0.906 136 Q CB 1.947 30.710 28.738 0.041 0.000 1.215 136 Q HN 0.404 8.654 8.270 -0.032 0.000 0.478 137 A N 2.484 125.482 122.820 0.296 0.000 2.530 137 A HA 0.343 4.844 4.320 0.302 0.000 0.279 137 A C -2.008 175.732 177.584 0.261 0.000 1.109 137 A CA 0.039 52.319 52.037 0.406 0.000 0.763 137 A CB 2.180 21.617 19.000 0.728 0.000 1.257 137 A HN -0.020 8.283 8.150 0.255 0.000 0.424 138 N N 5.120 123.901 118.700 0.136 0.000 2.758 138 N HA 0.343 5.373 4.740 -0.145 -0.378 0.293 138 N C -0.661 174.878 175.510 0.048 0.000 1.273 138 N CA -1.079 51.967 53.050 -0.007 0.000 1.022 138 N CB 0.585 39.068 38.487 -0.007 0.000 1.334 138 N HN 0.331 8.800 8.380 0.147 0.000 0.519 139 G N -1.911 107.016 108.800 0.211 0.000 2.386 139 G HA2 0.015 4.150 3.960 0.291 0.000 0.302 139 G HA3 0.015 4.101 3.960 0.210 0.000 0.302 139 G C -2.454 172.806 174.900 0.599 0.000 1.629 139 G CA 0.015 45.310 45.100 0.325 0.000 0.917 139 G HN -0.958 7.430 8.290 0.369 0.123 0.676 140 P HA -0.003 4.217 4.420 -0.332 0.000 0.239 140 P C -1.069 176.305 177.300 0.122 0.000 1.184 140 P CA 0.840 63.979 63.100 0.065 0.000 0.760 140 P CB 0.552 32.203 31.700 -0.081 0.000 0.884 141 E N -3.086 117.224 120.200 0.182 0.000 2.340 141 E HA -0.110 4.338 4.350 0.164 0.000 0.194 141 E C 1.826 178.515 176.600 0.148 0.000 0.996 141 E CA 1.217 57.707 56.400 0.151 0.000 0.869 141 E CB -0.345 29.419 29.700 0.106 0.000 0.835 141 E HN 0.004 8.385 8.360 0.216 0.109 0.493 142 D N 1.074 121.588 120.400 0.191 0.000 2.312 142 D HA -0.156 4.542 4.640 0.096 0.000 0.211 142 D C 0.842 177.251 176.300 0.182 0.000 0.964 142 D CA 3.508 57.605 54.000 0.162 0.000 0.877 142 D CB 0.080 41.001 40.800 0.200 0.000 0.924 142 D HN -0.335 8.076 8.370 0.247 0.107 0.515 143 L N -4.257 117.116 121.223 0.250 0.000 2.554 143 L HA -0.080 4.569 4.340 0.514 0.000 0.226 143 L C -0.760 175.901 176.870 -0.347 0.000 1.137 143 L CA -0.015 54.988 54.840 0.271 0.000 0.863 143 L CB -0.220 42.045 42.059 0.343 0.000 0.985 143 L HN -0.411 7.923 8.230 0.259 0.052 0.451 144 N N 0.275 118.890 118.700 -0.142 0.000 2.024 144 N HA -0.342 4.564 4.740 0.277 0.000 0.282 144 N C 0.793 175.686 175.510 -1.028 0.000 1.234 144 N CA 1.196 54.066 53.050 -0.299 0.000 0.817 144 N CB 1.292 39.719 38.487 -0.100 0.000 1.051 144 N HN -0.465 7.741 8.380 0.075 0.219 0.478 145 R N 2.787 122.600 120.500 -1.146 0.000 2.153 145 R HA -0.130 3.389 4.340 -1.369 0.000 0.218 145 R C 1.125 176.787 176.300 -1.064 0.000 1.072 145 R CA 2.858 58.111 56.100 -1.412 0.000 0.990 145 R CB -0.013 29.511 30.300 -1.294 0.000 0.889 145 R HN 0.523 8.581 8.270 -0.354 0.000 0.452 146 A N -1.074 121.410 122.820 -0.559 0.000 1.930 146 A HA -0.054 4.060 4.320 -0.344 0.000 0.217 146 A C 0.951 178.383 177.584 -0.254 0.000 1.175 146 A CA 2.025 53.861 52.037 -0.336 0.000 0.627 146 A CB -0.805 18.083 19.000 -0.187 0.000 0.815 146 A HN 0.129 8.133 8.150 -0.418 -0.105 0.443 147 C N -3.481 115.666 119.300 -0.254 0.000 2.475 147 C HA -0.183 4.200 4.460 -0.128 0.000 0.279 147 C C 1.318 176.197 174.990 -0.184 0.000 1.322 147 C CA 2.585 61.500 59.018 -0.172 0.000 1.734 147 C CB 1.467 29.128 27.740 -0.132 0.000 2.005 147 C HN -0.748 7.359 8.230 -0.302 -0.058 0.495 148 I N -0.999 119.428 120.570 -0.238 0.000 2.676 148 I HA -0.231 3.823 4.170 -0.194 0.000 0.259 148 I C 0.475 176.572 176.117 -0.033 0.000 1.194 148 I CA -0.133 61.086 61.300 -0.134 0.000 1.473 148 I CB -1.066 36.949 38.000 0.025 0.000 1.096 148 I HN 0.243 8.032 8.210 -0.373 0.197 0.443 149 A N -3.170 119.607 122.820 -0.072 0.000 2.359 149 A HA -0.009 4.403 4.320 0.152 0.000 0.240 149 A C -0.310 177.239 177.584 -0.059 0.000 1.306 149 A CA 0.811 52.849 52.037 0.001 0.000 0.898 149 A CB -1.364 17.553 19.000 -0.138 0.000 0.956 149 A HN 0.019 7.851 8.150 -0.254 0.166 0.497 150 E N -1.548 118.593 120.200 -0.099 0.000 2.489 150 E HA -0.015 4.260 4.350 -0.061 0.038 0.208 150 E C 0.924 177.453 176.600 -0.119 0.000 0.814 150 E CA 1.142 57.489 56.400 -0.089 0.000 1.348 150 E CB 1.094 30.742 29.700 -0.087 0.000 1.334 150 E HN 0.045 8.080 8.360 -0.127 0.250 0.672 151 K N -0.363 119.921 120.400 -0.193 0.000 2.217 151 K HA -0.150 4.052 4.320 -0.197 0.000 0.202 151 K C 0.827 177.206 176.600 -0.369 0.000 1.051 151 K CA 2.651 58.763 56.287 -0.292 0.000 0.952 151 K CB -0.013 32.238 32.500 -0.414 0.000 0.736 151 K HN 0.090 8.020 8.250 -0.196 0.202 0.453 152 L N -5.096 115.938 121.223 -0.316 0.000 2.547 152 L HA 0.171 4.448 4.340 -0.105 0.000 0.218 152 L C 0.888 177.731 176.870 -0.044 0.000 1.048 152 L CA 1.161 55.880 54.840 -0.201 0.000 0.859 152 L CB 1.158 42.987 42.059 -0.383 0.000 1.128 152 L HN -0.262 7.865 8.230 -0.255 -0.050 0.483 153 G N -3.861 104.915 108.800 -0.039 0.000 2.920 153 G HA2 -0.043 3.942 3.960 0.042 0.000 0.208 153 G HA3 -0.043 4.152 3.960 0.012 -0.227 0.208 153 G C 0.264 175.159 174.900 -0.007 0.000 1.159 153 G CA 0.773 45.878 45.100 0.009 0.000 0.784 153 G HN -0.590 7.647 8.290 -0.073 0.009 0.535 154 G N -1.334 107.449 108.800 -0.028 0.000 2.744 154 G HA2 0.130 4.081 3.960 -0.015 0.000 0.211 154 G HA3 0.130 4.185 3.960 -0.034 -0.116 0.211 154 G C -0.329 174.569 174.900 -0.002 0.000 1.146 154 G CA 0.450 45.538 45.100 -0.021 0.000 0.787 154 G HN -0.533 7.653 8.290 -0.052 0.073 0.534 155 S N 0.591 116.296 115.700 0.008 0.000 2.460 155 S HA 0.242 4.727 4.470 0.025 0.000 0.185 155 S C -0.620 174.004 174.600 0.041 0.000 0.908 155 S CA 1.648 59.866 58.200 0.030 0.000 0.894 155 S CB 1.420 64.652 63.200 0.053 0.000 0.855 155 S HN -0.809 7.341 8.310 -0.001 0.159 0.574 156 L N -3.380 117.880 121.223 0.061 0.000 2.409 156 L HA 0.313 4.685 4.340 0.053 0.000 0.262 156 L C -0.779 176.150 176.870 0.098 0.000 1.346 156 L CA 0.247 55.127 54.840 0.066 0.000 0.848 156 L CB -0.402 41.690 42.059 0.056 0.000 1.006 156 L HN -0.600 7.676 8.230 0.075 0.000 0.505 157 I N -3.206 117.430 120.570 0.111 0.000 4.936 157 I HA 0.460 4.740 4.170 0.181 -0.001 0.163 157 I C -0.891 175.302 176.117 0.126 0.000 0.947 157 I CA -2.069 59.331 61.300 0.166 0.000 1.916 157 I CB 2.254 40.398 38.000 0.240 0.000 1.268 157 I HN -0.188 8.075 8.210 0.088 0.000 0.429 158 V N -4.323 115.680 119.914 0.148 0.000 3.210 158 V HA -0.024 4.148 4.120 0.086 0.000 0.251 158 V C -1.894 174.279 176.094 0.132 0.000 1.795 158 V CA 1.070 63.435 62.300 0.108 0.000 0.999 158 V CB 2.312 34.181 31.823 0.078 0.000 0.941 158 V HN -0.105 8.206 8.190 0.202 0.000 0.358 159 A N -2.416 120.521 122.820 0.195 0.000 2.380 159 A HA 0.491 5.030 4.320 0.193 -0.103 0.315 159 A C -0.398 177.418 177.584 0.386 0.000 1.101 159 A CA -0.918 51.262 52.037 0.239 0.000 0.771 159 A CB 1.396 20.524 19.000 0.214 0.000 1.287 159 A HN -0.613 7.677 8.150 0.233 0.000 0.436 160 F N -1.310 118.692 119.950 0.087 0.000 2.507 160 F HA -0.336 4.222 4.527 0.051 0.000 0.690 160 F C -0.226 175.577 175.800 0.006 0.000 0.489 160 F CA 2.932 60.957 58.000 0.042 0.000 0.920 160 F CB -0.776 38.225 39.000 0.001 0.000 1.747 160 F HN 0.632 9.139 8.300 0.346 0.000 0.267 161 E N -0.262 120.043 120.200 0.175 0.000 2.490 161 E HA 0.205 4.740 4.350 0.002 -0.184 0.209 161 E C 0.595 177.235 176.600 0.065 0.000 0.971 161 E CA 0.379 56.817 56.400 0.063 0.000 0.988 161 E CB 1.266 31.001 29.700 0.058 0.000 1.029 161 E HN -0.474 7.902 8.360 0.254 0.136 0.496 162 G N -1.315 107.545 108.800 0.099 0.000 2.766 162 G HA2 -0.040 3.952 3.960 0.053 0.000 0.201 162 G HA3 -0.040 4.071 3.960 0.079 -0.104 0.201 162 G C -0.491 174.451 174.900 0.070 0.000 1.177 162 G CA 0.225 45.369 45.100 0.074 0.000 0.773 162 G HN 0.028 8.372 8.290 0.147 0.033 0.648 163 C N 0.991 120.345 119.300 0.090 0.000 2.739 163 C HA 0.218 4.712 4.460 0.058 0.000 0.285 163 C C -0.400 174.636 174.990 0.076 0.000 1.301 163 C CA 2.872 61.936 59.018 0.076 0.000 1.700 163 C CB -0.071 27.717 27.740 0.080 0.000 2.147 163 C HN -0.063 8.152 8.230 0.116 0.084 0.510 164 P HA 0.009 4.475 4.420 0.076 0.000 0.218 164 P C -1.077 176.255 177.300 0.054 0.000 1.152 164 P CA 1.190 64.348 63.100 0.097 0.000 0.826 164 P CB 0.160 31.959 31.700 0.165 0.000 0.790 165 V N 0.000 119.941 119.914 0.046 0.000 2.409 165 V HA 0.000 4.106 4.120 -0.023 0.000 0.244 165 V CA 0.000 62.282 62.300 -0.030 0.000 1.235 165 V CB 0.000 31.729 31.823 -0.157 0.000 1.184 165 V HN 0.000 8.250 8.190 0.100 0.000 0.556