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 2izg_1_B DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK VKP 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 13 A HA 0.000 4.416 4.320 0.160 0.000 0.244 13 A C 0.000 177.523 177.584 -0.102 0.000 1.274 13 A CA 0.000 52.077 52.037 0.066 0.000 0.836 13 A CB 0.000 19.048 19.000 0.080 0.000 0.831 14 E N 1.842 122.031 120.200 -0.019 0.000 2.051 14 E HA -0.401 3.704 4.350 -0.409 0.000 0.192 14 E C 1.601 178.098 176.600 -0.172 0.000 0.991 14 E CA 3.636 59.944 56.400 -0.154 0.000 0.799 14 E CB -0.594 29.117 29.700 0.018 0.000 0.748 14 E HN 0.724 9.142 8.360 0.096 0.000 0.449 15 A N -0.593 122.175 122.820 -0.085 0.000 1.940 15 A HA -0.293 3.979 4.320 -0.080 0.000 0.219 15 A C 2.051 179.586 177.584 -0.081 0.000 1.176 15 A CA 2.565 54.560 52.037 -0.071 0.000 0.631 15 A CB -1.112 17.871 19.000 -0.027 0.000 0.814 15 A HN 0.249 8.375 8.150 -0.040 0.000 0.446 16 G N -2.182 106.569 108.800 -0.081 0.000 2.408 16 G HA2 -0.190 3.807 3.960 0.063 0.000 0.217 16 G HA3 -0.190 3.806 3.960 0.060 0.000 0.217 16 G C 1.711 176.531 174.900 -0.133 0.000 1.150 16 G CA 1.395 46.480 45.100 -0.024 0.000 0.776 16 G HN 0.061 8.293 8.290 -0.077 0.012 0.542 17 I N 1.676 122.007 120.570 -0.399 0.000 2.333 17 I HA -0.291 3.808 4.170 -0.119 0.000 0.246 17 I C -0.025 176.054 176.117 -0.062 0.000 1.106 17 I CA 2.705 63.812 61.300 -0.322 0.000 1.411 17 I CB 0.242 37.843 38.000 -0.664 0.000 1.082 17 I HN -0.394 7.464 8.210 -0.449 0.083 0.420 18 T N 1.997 116.446 114.554 -0.175 0.000 2.908 18 T HA -0.338 4.081 4.350 -0.210 -0.195 0.301 18 T C -0.104 174.515 174.700 -0.135 0.000 1.019 18 T CA 3.414 65.416 62.100 -0.164 0.000 1.152 18 T CB -0.081 68.691 68.868 -0.160 0.000 0.966 18 T HN -0.263 7.841 8.240 -0.227 0.000 0.540 19 G N 5.318 114.008 108.800 -0.183 0.000 2.350 19 G HA2 -0.084 3.728 3.960 -0.246 0.000 0.282 19 G HA3 -0.084 3.648 3.960 -0.379 0.000 0.282 19 G C -2.976 171.719 174.900 -0.342 0.000 1.314 19 G CA 0.284 45.212 45.100 -0.286 0.000 0.915 19 G HN 0.225 8.388 8.290 -0.211 0.000 0.499 20 T N 2.416 116.703 114.554 -0.445 0.000 2.794 20 T HA 0.809 5.098 4.350 -0.376 -0.165 0.280 20 T C -1.036 173.321 174.700 -0.572 0.000 0.987 20 T CA 0.569 62.414 62.100 -0.424 0.000 0.993 20 T CB 1.809 70.492 68.868 -0.308 0.000 0.939 20 T HN 0.267 8.232 8.240 -0.458 0.000 0.449 21 W N 4.682 125.688 121.300 -0.490 0.000 2.936 21 W HA 0.559 5.342 4.660 -0.080 -0.171 0.338 21 W C -1.831 174.484 176.519 -0.339 0.000 1.121 21 W CA -1.255 55.958 57.345 -0.221 0.000 1.209 21 W CB 3.828 33.289 29.460 0.001 0.000 1.420 21 W HN 0.941 8.942 8.180 -0.298 0.000 0.516 22 Y N -1.976 118.618 120.300 0.490 0.000 2.576 22 Y HA 0.876 5.818 4.550 0.326 -0.197 0.346 22 Y C -1.052 175.045 175.900 0.328 0.000 1.018 22 Y CA -1.804 56.500 58.100 0.340 0.000 1.050 22 Y CB 4.137 42.694 38.460 0.162 0.000 1.280 22 Y HN 0.660 9.263 8.280 0.539 0.000 0.474 23 N N -0.402 118.464 118.700 0.277 0.000 2.653 23 N HA 0.698 5.566 4.740 -0.079 -0.176 0.294 23 N C 1.897 177.429 175.510 0.036 0.000 1.305 23 N CA -2.735 50.266 53.050 -0.082 0.000 0.827 23 N CB 2.100 40.237 38.487 -0.583 0.000 1.415 23 N HN -0.172 8.405 8.380 0.329 0.000 0.546 24 Q N -0.890 118.906 119.800 -0.007 0.000 2.368 24 Q HA -0.177 4.194 4.340 0.051 0.000 0.210 24 Q C 0.258 176.285 176.000 0.046 0.000 0.982 24 Q CA 2.434 58.259 55.803 0.036 0.000 0.884 24 Q CB -0.786 27.974 28.738 0.037 0.000 0.933 24 Q HN 0.278 8.504 8.270 -0.073 0.000 0.460 25 L N -2.628 118.628 121.223 0.056 0.000 2.529 25 L HA 0.168 4.538 4.340 0.050 0.000 0.223 25 L C 0.688 177.603 176.870 0.075 0.000 1.113 25 L CA -0.100 54.779 54.840 0.065 0.000 0.861 25 L CB 0.619 42.727 42.059 0.082 0.000 1.012 25 L HN -0.338 8.128 8.230 0.047 -0.207 0.461 26 G N -2.122 106.736 108.800 0.097 0.000 2.134 26 G HA2 -0.342 3.669 3.960 0.084 0.000 0.209 26 G HA3 -0.342 3.653 3.960 0.058 0.000 0.209 26 G C -0.538 174.468 174.900 0.177 0.000 0.993 26 G CA -0.240 44.920 45.100 0.100 0.000 0.669 26 G HN -0.347 7.954 8.290 0.105 0.052 0.519 27 S N 0.953 116.779 115.700 0.210 0.000 2.617 27 S HA 0.278 4.915 4.470 0.174 -0.062 0.269 27 S C -0.941 173.788 174.600 0.215 0.000 1.292 27 S CA 1.284 59.598 58.200 0.190 0.000 1.010 27 S CB 1.721 65.065 63.200 0.240 0.000 0.944 27 S HN -0.505 8.184 8.310 0.192 -0.263 0.536 28 T N 3.709 118.265 114.554 0.003 0.000 2.829 28 T HA 0.664 4.989 4.350 -0.300 -0.155 0.280 28 T C -1.626 172.838 174.700 -0.393 0.000 0.999 28 T CA -0.278 61.726 62.100 -0.161 0.000 0.983 28 T CB 1.869 70.733 68.868 -0.008 0.000 0.968 28 T HN 0.762 8.855 8.240 -0.069 0.106 0.446 29 F N 8.104 127.731 119.950 -0.538 0.000 2.536 29 F HA 0.664 4.976 4.527 -0.580 -0.132 0.322 29 F C -3.143 172.447 175.800 -0.350 0.000 1.144 29 F CA -2.569 55.105 58.000 -0.544 0.000 0.924 29 F CB 3.484 42.086 39.000 -0.664 0.000 1.181 29 F HN 0.891 8.992 8.300 -0.332 0.000 0.438 30 I N 8.325 128.625 120.570 -0.451 0.000 2.389 30 I HA 0.618 4.699 4.170 -0.432 -0.170 0.288 30 I C -2.411 173.385 176.117 -0.535 0.000 0.999 30 I CA -1.019 60.025 61.300 -0.426 0.000 1.129 30 I CB 2.541 40.399 38.000 -0.238 0.000 1.288 30 I HN 0.748 8.792 8.210 -0.276 0.000 0.444 31 V N 7.938 127.489 119.914 -0.605 0.000 3.049 31 V HA 0.817 4.845 4.120 -0.417 -0.159 0.309 31 V C -2.344 173.541 176.094 -0.347 0.000 1.148 31 V CA -3.002 58.970 62.300 -0.548 0.000 0.990 31 V CB 4.989 36.242 31.823 -0.950 0.000 1.039 31 V HN 0.638 8.513 8.190 -0.525 0.000 0.430 32 T N 7.905 122.300 114.554 -0.265 0.000 2.848 32 T HA 0.293 4.526 4.350 -0.195 0.000 0.285 32 T C -2.171 172.418 174.700 -0.185 0.000 0.995 32 T CA -0.652 61.334 62.100 -0.190 0.000 0.970 32 T CB 2.095 70.888 68.868 -0.125 0.000 0.976 32 T HN 0.490 8.580 8.240 -0.251 0.000 0.441 33 A N 7.282 129.979 122.820 -0.206 0.000 2.260 33 A HA 0.734 5.101 4.320 -0.196 -0.164 0.314 33 A C -0.800 176.775 177.584 -0.014 0.000 1.257 33 A CA -1.899 50.002 52.037 -0.227 0.000 0.871 33 A CB 1.257 19.937 19.000 -0.534 0.000 1.166 33 A HN 0.591 8.621 8.150 -0.201 0.000 0.522 34 G N 1.370 110.240 108.800 0.117 0.000 2.476 34 G HA2 0.216 4.206 3.960 0.051 0.000 0.286 34 G HA3 0.216 4.225 3.960 0.083 0.000 0.286 34 G C 0.057 175.054 174.900 0.162 0.000 1.177 34 G CA -1.351 43.812 45.100 0.104 0.000 0.870 34 G HN 0.643 8.916 8.290 0.167 0.117 0.528 35 A N 1.085 123.956 122.820 0.084 0.000 2.019 35 A HA -0.216 4.158 4.320 0.090 0.000 0.219 35 A C 1.073 178.664 177.584 0.012 0.000 1.164 35 A CA 2.406 54.478 52.037 0.060 0.000 0.644 35 A CB -0.231 18.787 19.000 0.029 0.000 0.805 35 A HN 0.525 8.708 8.150 0.054 0.000 0.449 36 D N -6.232 114.172 120.400 0.007 0.000 2.336 36 D HA -0.160 4.452 4.640 -0.046 0.000 0.229 36 D C 0.232 176.472 176.300 -0.101 0.000 1.061 36 D CA -0.761 53.218 54.000 -0.035 0.000 0.875 36 D CB -1.040 39.753 40.800 -0.011 0.000 0.904 36 D HN -0.203 8.145 8.370 0.031 0.041 0.525 37 G N -2.015 106.678 108.800 -0.179 0.000 2.141 37 G HA2 -0.451 2.693 3.960 -1.360 0.000 0.231 37 G HA3 -0.451 3.274 3.960 -0.392 0.000 0.231 37 G C -1.593 173.277 174.900 -0.049 0.000 0.984 37 G CA 0.033 44.845 45.100 -0.480 0.000 0.660 37 G HN -0.174 8.006 8.290 -0.073 0.067 0.525 38 A N -0.364 122.547 122.820 0.152 0.000 2.295 38 A HA 0.663 5.195 4.320 0.147 -0.123 0.318 38 A C -1.834 175.881 177.584 0.219 0.000 1.134 38 A CA -1.719 50.421 52.037 0.172 0.000 0.827 38 A CB 2.776 21.827 19.000 0.085 0.000 1.136 38 A HN -0.670 7.684 8.150 0.138 -0.121 0.493 39 L N -0.202 121.103 121.223 0.137 0.000 2.410 39 L HA 1.018 5.564 4.340 -0.030 -0.224 0.270 39 L C -0.476 176.397 176.870 0.005 0.000 0.983 39 L CA -1.391 53.470 54.840 0.034 0.000 0.822 39 L CB 3.562 45.644 42.059 0.037 0.000 1.285 39 L HN 0.025 8.333 8.230 0.130 0.000 0.409 40 T N 1.264 115.786 114.554 -0.054 0.000 2.900 40 T HA 0.788 5.296 4.350 -0.017 -0.168 0.303 40 T C -1.380 173.258 174.700 -0.103 0.000 1.142 40 T CA -2.180 59.892 62.100 -0.046 0.000 1.007 40 T CB 2.555 71.407 68.868 -0.027 0.000 1.156 40 T HN 0.169 8.350 8.240 -0.098 0.000 0.490 41 G N 2.994 111.745 108.800 -0.081 0.000 2.360 41 G HA2 0.323 4.216 3.960 -0.112 0.000 0.276 41 G HA3 0.323 4.375 3.960 -0.191 -0.207 0.276 41 G C -2.952 171.920 174.900 -0.046 0.000 1.256 41 G CA 0.988 46.021 45.100 -0.113 0.000 0.890 41 G HN -0.409 7.856 8.290 -0.042 0.000 0.486 42 T N -2.519 112.010 114.554 -0.041 0.000 2.896 42 T HA 1.010 5.595 4.350 0.086 -0.183 0.297 42 T C -2.492 172.281 174.700 0.121 0.000 1.108 42 T CA -2.305 59.826 62.100 0.051 0.000 1.004 42 T CB 3.713 72.600 68.868 0.031 0.000 1.159 42 T HN 0.179 8.355 8.240 -0.107 0.000 0.499 43 Y N 1.487 121.846 120.300 0.098 0.000 2.477 43 Y HA 0.696 5.499 4.550 0.140 -0.169 0.347 43 Y C -2.632 173.447 175.900 0.299 0.000 0.981 43 Y CA -1.878 56.318 58.100 0.159 0.000 1.033 43 Y CB 4.666 43.175 38.460 0.082 0.000 1.245 43 Y HN 0.637 9.101 8.280 0.307 0.000 0.455 44 E N 6.712 127.007 120.200 0.158 0.000 2.216 44 E HA 0.527 5.202 4.350 0.542 0.000 0.260 44 E C -1.984 174.803 176.600 0.312 0.000 0.880 44 E CA -1.825 54.769 56.400 0.324 0.000 0.765 44 E CB 3.850 33.653 29.700 0.171 0.000 1.174 44 E HN 0.677 8.850 8.360 -0.312 0.000 0.417 45 S N 7.420 123.422 115.700 0.503 0.000 2.554 45 S HA 0.124 4.866 4.470 0.453 0.000 0.278 45 S C 0.128 174.844 174.600 0.193 0.000 1.242 45 S CA -1.041 57.392 58.200 0.388 0.000 1.051 45 S CB 1.249 64.575 63.200 0.211 0.000 0.986 45 S HN 0.654 9.321 8.310 0.595 0.000 0.502 46 A N 6.877 129.787 122.820 0.151 0.000 2.123 46 A HA 0.063 4.437 4.320 0.091 0.000 0.214 46 A C -0.276 177.333 177.584 0.041 0.000 1.152 46 A CA 1.009 53.100 52.037 0.091 0.000 0.728 46 A CB 0.600 19.652 19.000 0.087 0.000 0.814 46 A HN 0.645 8.908 8.150 0.187 0.000 0.464 47 V N -6.063 113.856 119.914 0.008 0.000 3.141 47 V HA 0.578 4.677 4.120 -0.033 0.000 0.312 47 V C -0.397 175.610 176.094 -0.146 0.000 1.157 47 V CA -1.758 60.511 62.300 -0.051 0.000 1.041 47 V CB 2.149 33.945 31.823 -0.044 0.000 1.071 47 V HN -0.316 7.845 8.190 0.026 0.044 0.441 48 G N 2.523 111.234 108.800 -0.149 0.000 2.660 48 G HA2 -0.274 3.567 3.960 -0.198 0.000 0.247 48 G HA3 -0.274 3.467 3.960 -0.365 0.000 0.247 48 G C -0.861 173.928 174.900 -0.185 0.000 1.328 48 G CA -0.293 44.669 45.100 -0.230 0.000 0.884 48 G HN 0.412 8.641 8.290 -0.101 0.000 0.531 49 N N 2.606 121.171 118.700 -0.226 0.000 3.034 49 N HA 0.077 4.778 4.740 -0.066 0.000 0.265 49 N C -1.834 173.606 175.510 -0.116 0.000 1.166 49 N CA -0.512 52.462 53.050 -0.125 0.000 1.081 49 N CB -1.240 37.182 38.487 -0.108 0.000 1.378 49 N HN 0.212 8.408 8.380 -0.307 0.000 0.520 50 A N 1.681 124.475 122.820 -0.044 0.000 2.574 50 A HA 0.287 4.789 4.320 0.302 0.000 0.297 50 A C -2.157 175.587 177.584 0.266 0.000 1.062 50 A CA -0.744 51.378 52.037 0.141 0.000 0.686 50 A CB 2.735 21.681 19.000 -0.090 0.000 1.285 50 A HN -0.528 7.557 8.150 -0.041 0.040 0.403 51 E N 2.162 122.627 120.200 0.442 0.000 2.321 51 E HA 0.265 4.729 4.350 0.190 0.000 0.281 51 E C -1.132 175.566 176.600 0.164 0.000 0.910 51 E CA -0.519 56.017 56.400 0.227 0.000 0.770 51 E CB 2.995 32.760 29.700 0.108 0.000 1.225 51 E HN 0.577 9.380 8.360 0.739 0.000 0.417 52 S N 0.942 116.698 115.700 0.093 0.000 3.784 52 S HA -0.428 4.037 4.470 -0.008 0.000 0.636 52 S C -1.369 173.278 174.600 0.080 0.000 2.075 52 S CA 1.327 59.523 58.200 -0.007 0.000 2.280 52 S CB 0.403 63.491 63.200 -0.187 0.000 0.330 52 S HN 0.348 8.722 8.310 0.107 0.000 1.762 53 R N -0.473 120.018 120.500 -0.016 0.000 2.500 53 R HA 0.324 5.001 4.340 0.267 -0.177 0.277 53 R C -0.724 175.487 176.300 -0.149 0.000 1.026 53 R CA -0.409 55.728 56.100 0.062 0.000 1.058 53 R CB 1.227 31.558 30.300 0.052 0.000 1.078 53 R HN -0.167 8.072 8.270 -0.051 0.000 0.509 54 Y N -1.203 119.186 120.300 0.148 0.000 2.499 54 Y HA 0.189 4.785 4.550 0.077 0.000 0.347 54 Y C -0.611 175.305 175.900 0.027 0.000 0.987 54 Y CA -1.097 57.047 58.100 0.073 0.000 1.044 54 Y CB 2.962 41.421 38.460 -0.002 0.000 1.245 54 Y HN -0.019 8.517 8.280 0.427 0.000 0.461 55 V N 1.770 121.761 119.914 0.128 0.000 2.686 55 V HA 0.032 4.322 4.120 0.059 -0.134 0.295 55 V C -0.511 175.616 176.094 0.054 0.000 1.055 55 V CA 1.297 63.637 62.300 0.067 0.000 1.050 55 V CB 0.385 32.229 31.823 0.036 0.000 0.984 55 V HN 0.731 8.996 8.190 0.125 0.000 0.482 56 L N 1.127 122.381 121.223 0.051 0.000 2.388 56 L HA 1.057 5.610 4.340 0.073 -0.169 0.264 56 L C -1.511 175.398 176.870 0.065 0.000 0.998 56 L CA -1.611 53.272 54.840 0.073 0.000 0.817 56 L CB 4.244 46.353 42.059 0.085 0.000 1.338 56 L HN 0.291 8.543 8.230 0.037 0.000 0.414 57 T N 0.726 115.345 114.554 0.108 0.000 2.916 57 T HA 0.746 5.312 4.350 0.069 -0.174 0.305 57 T C -1.414 173.388 174.700 0.169 0.000 1.119 57 T CA -1.731 60.427 62.100 0.097 0.000 1.008 57 T CB 2.398 71.305 68.868 0.065 0.000 1.129 57 T HN -0.135 8.196 8.240 0.150 0.000 0.480 58 G N 2.069 110.967 108.800 0.163 0.000 2.554 58 G HA2 0.626 4.702 3.960 0.193 0.000 0.306 58 G HA3 0.626 4.898 3.960 0.318 -0.121 0.306 58 G C -2.916 172.095 174.900 0.185 0.000 1.320 58 G CA 0.714 45.945 45.100 0.218 0.000 0.800 58 G HN 0.090 8.453 8.290 0.122 0.000 0.481 59 R N -3.549 117.077 120.500 0.209 0.000 2.799 59 R HA 1.155 5.812 4.340 0.215 -0.188 0.270 59 R C -1.784 174.684 176.300 0.280 0.000 1.010 59 R CA -2.454 53.764 56.100 0.196 0.000 0.916 59 R CB 5.054 35.412 30.300 0.095 0.000 1.228 59 R HN 0.138 8.547 8.270 0.232 0.000 0.469 60 Y N -3.426 116.905 120.300 0.052 0.000 2.655 60 Y HA 0.579 5.291 4.550 0.072 -0.118 0.336 60 Y C -2.177 173.746 175.900 0.039 0.000 1.154 60 Y CA -2.449 55.682 58.100 0.052 0.000 1.055 60 Y CB 2.354 40.832 38.460 0.031 0.000 1.295 60 Y HN 0.402 8.713 8.280 0.051 0.000 0.465 61 D N -0.165 120.241 120.400 0.010 0.000 2.352 61 D HA 0.157 4.707 4.640 -0.149 0.000 0.245 61 D C -0.094 176.093 176.300 -0.189 0.000 1.224 61 D CA -0.681 53.266 54.000 -0.089 0.000 0.879 61 D CB 0.470 41.297 40.800 0.045 0.000 1.057 61 D HN 0.146 8.647 8.370 0.219 0.000 0.491 62 S N 3.844 119.287 115.700 -0.428 0.000 2.561 62 S HA -0.246 4.092 4.470 -0.221 0.000 0.225 62 S C -0.479 174.086 174.600 -0.059 0.000 0.977 62 S CA 0.871 58.880 58.200 -0.317 0.000 0.926 62 S CB 0.217 63.180 63.200 -0.396 0.000 0.769 62 S HN -0.005 8.046 8.310 -0.432 0.000 0.533 63 A N 1.071 123.867 122.820 -0.039 0.000 3.258 63 A HA 0.497 4.833 4.320 0.026 0.000 0.318 63 A C -2.903 174.699 177.584 0.031 0.000 0.990 63 A CA -2.958 49.083 52.037 0.006 0.000 0.885 63 A CB 0.168 19.162 19.000 -0.010 0.000 1.090 63 A HN -0.504 7.669 8.150 -0.069 -0.064 0.479 64 P HA 0.133 4.834 4.420 0.072 -0.239 0.281 64 P C -0.867 176.470 177.300 0.061 0.000 1.274 64 P CA -0.504 62.644 63.100 0.079 0.000 0.794 64 P CB 1.188 32.963 31.700 0.125 0.000 1.201 65 A N -2.922 119.935 122.820 0.061 0.000 2.304 65 A HA 0.270 4.614 4.320 0.039 0.000 0.301 65 A C 1.138 178.752 177.584 0.050 0.000 1.132 65 A CA -1.583 50.482 52.037 0.047 0.000 0.819 65 A CB 1.824 20.849 19.000 0.041 0.000 1.094 65 A HN -0.116 8.076 8.150 0.070 0.000 0.492 66 T N 1.189 115.768 114.554 0.041 0.000 4.309 66 T HA -0.042 4.336 4.350 0.048 0.000 0.242 66 T C -1.535 173.186 174.700 0.036 0.000 1.142 66 T CA -0.450 61.674 62.100 0.041 0.000 1.042 66 T CB -1.540 67.348 68.868 0.034 0.000 1.366 66 T HN 0.303 8.581 8.240 0.035 -0.017 0.942 67 D N -0.219 120.204 120.400 0.039 0.000 2.825 67 D HA 0.020 4.678 4.640 0.029 0.000 0.327 67 D C -0.558 175.763 176.300 0.035 0.000 1.277 67 D CA -1.441 52.578 54.000 0.033 0.000 0.950 67 D CB 1.592 42.409 40.800 0.029 0.000 1.438 67 D HN 0.058 8.159 8.370 0.046 0.297 0.526 68 G N -1.734 107.083 108.800 0.028 0.000 3.458 68 G HA2 0.075 4.050 3.960 0.027 0.000 0.256 68 G HA3 0.075 4.047 3.960 0.020 0.000 0.256 68 G C -0.752 174.163 174.900 0.026 0.000 0.938 68 G CA -0.184 44.931 45.100 0.025 0.000 1.890 68 G HN 0.036 8.341 8.290 0.025 0.000 0.639 69 S N 1.412 117.134 115.700 0.036 0.000 2.621 69 S HA 0.172 4.663 4.470 0.034 0.000 0.302 69 S C -0.500 174.132 174.600 0.053 0.000 1.093 69 S CA -0.616 57.609 58.200 0.042 0.000 1.017 69 S CB 2.976 66.204 63.200 0.047 0.000 1.077 69 S HN -0.392 7.876 8.310 0.043 0.067 0.517 70 G N -0.094 108.740 108.800 0.057 0.000 2.528 70 G HA2 0.251 4.321 3.960 0.052 0.000 0.289 70 G HA3 0.251 4.236 3.960 0.069 0.017 0.289 70 G C -1.051 173.927 174.900 0.130 0.000 1.192 70 G CA -0.763 44.383 45.100 0.076 0.000 0.921 70 G HN 0.036 8.357 8.290 0.051 0.000 0.512 71 T N 3.949 118.627 114.554 0.207 0.000 2.743 71 T HA 0.099 4.561 4.350 0.187 0.000 0.292 71 T C -0.732 174.101 174.700 0.222 0.000 0.972 71 T CA 0.551 62.796 62.100 0.242 0.000 0.967 71 T CB 1.154 70.238 68.868 0.359 0.000 0.926 71 T HN 0.313 8.587 8.240 0.239 0.109 0.459 72 A N 8.519 131.441 122.820 0.170 0.000 2.440 72 A HA 0.519 5.101 4.320 0.147 -0.174 0.251 72 A C -1.434 176.261 177.584 0.186 0.000 1.089 72 A CA -0.575 51.552 52.037 0.150 0.000 0.779 72 A CB 0.907 19.970 19.000 0.104 0.000 1.022 72 A HN 0.727 8.964 8.150 0.146 0.000 0.492 73 L N -4.224 117.112 121.223 0.189 0.000 2.765 73 L HA 0.919 5.487 4.340 0.225 -0.093 0.263 73 L C -1.647 175.343 176.870 0.200 0.000 1.068 73 L CA -1.347 53.632 54.840 0.231 0.000 0.903 73 L CB 3.708 45.937 42.059 0.283 0.000 1.512 73 L HN 0.199 8.529 8.230 0.166 0.000 0.404 74 G N -3.952 104.993 108.800 0.243 0.000 2.632 74 G HA2 0.729 4.853 3.960 0.021 0.000 0.292 74 G HA3 0.729 4.734 3.960 0.074 0.000 0.292 74 G C -3.437 171.644 174.900 0.302 0.000 1.465 74 G CA 0.803 45.991 45.100 0.147 0.000 0.824 74 G HN -0.127 8.338 8.290 0.292 0.000 0.509 75 W N -2.988 118.368 121.300 0.094 0.000 3.066 75 W HA 0.714 5.498 4.660 0.057 -0.090 0.330 75 W C -3.113 173.486 176.519 0.133 0.000 1.253 75 W CA -1.649 55.736 57.345 0.067 0.000 1.187 75 W CB 2.198 31.650 29.460 -0.013 0.000 1.434 75 W HN 0.373 8.399 8.180 -0.256 0.000 0.572 76 T N 1.096 115.810 114.554 0.265 0.000 2.893 76 T HA 0.873 5.460 4.350 0.076 -0.191 0.291 76 T C -1.444 173.333 174.700 0.128 0.000 1.028 76 T CA -0.568 61.611 62.100 0.131 0.000 0.995 76 T CB 3.095 71.986 68.868 0.040 0.000 1.051 76 T HN 0.636 9.068 8.240 0.320 0.000 0.470 77 V N 3.749 123.634 119.914 -0.049 0.000 2.623 77 V HA 0.298 4.292 4.120 -0.210 0.000 0.304 77 V C -2.357 173.382 176.094 -0.591 0.000 1.054 77 V CA -1.015 61.074 62.300 -0.351 0.000 0.882 77 V CB 3.788 35.191 31.823 -0.700 0.000 1.002 77 V HN 0.325 8.462 8.190 -0.088 0.000 0.424 78 A N 5.387 127.956 122.820 -0.418 0.000 2.276 78 A HA 0.542 4.825 4.320 -0.254 -0.116 0.316 78 A C -0.069 177.311 177.584 -0.340 0.000 1.229 78 A CA -1.702 50.172 52.037 -0.271 0.000 0.851 78 A CB 1.590 20.544 19.000 -0.077 0.000 1.165 78 A HN 0.699 8.684 8.150 -0.276 0.000 0.513 79 W N 5.351 126.609 121.300 -0.070 0.000 1.564 79 W HA -0.090 4.326 4.660 -0.406 0.000 0.448 79 W C -1.388 175.194 176.519 0.105 0.000 0.601 79 W CA -1.211 56.032 57.345 -0.169 0.000 2.326 79 W CB -0.868 28.413 29.460 -0.299 0.000 1.355 79 W HN 0.732 8.892 8.180 -0.033 0.000 0.382 80 K N 1.305 121.934 120.400 0.381 0.000 2.507 80 K HA 0.750 5.462 4.320 0.295 -0.216 0.251 80 K C -1.674 175.084 176.600 0.264 0.000 0.943 80 K CA -1.212 55.248 56.287 0.288 0.000 0.794 80 K CB 3.089 35.659 32.500 0.117 0.000 1.188 80 K HN -0.206 8.139 8.250 0.304 0.088 0.428 81 N N 5.162 123.943 118.700 0.135 0.000 3.387 81 N HA 0.251 4.965 4.740 -0.043 0.000 0.322 81 N C -0.712 174.732 175.510 -0.109 0.000 1.588 81 N CA -1.354 51.656 53.050 -0.066 0.000 0.778 81 N CB 0.861 39.139 38.487 -0.349 0.000 1.883 81 N HN 0.751 9.233 8.380 0.170 0.000 0.628 82 N N -1.495 117.046 118.700 -0.265 0.000 2.515 82 N HA 0.024 4.584 4.740 -0.300 0.000 0.185 82 N C 0.004 175.105 175.510 -0.681 0.000 1.109 82 N CA 2.255 55.001 53.050 -0.505 0.000 0.903 82 N CB 0.160 38.216 38.487 -0.718 0.000 0.969 82 N HN 0.157 8.396 8.380 -0.235 0.000 0.450 83 Y N -2.570 117.708 120.300 -0.037 0.000 2.558 83 Y HA 0.093 4.642 4.550 -0.002 0.000 0.273 83 Y C -0.040 175.875 175.900 0.025 0.000 1.100 83 Y CA 1.300 59.395 58.100 -0.008 0.000 1.276 83 Y CB 1.716 40.165 38.460 -0.018 0.000 1.196 83 Y HN -0.413 7.999 8.280 -0.109 -0.198 0.527 84 R N -3.311 117.300 120.500 0.185 0.000 2.799 84 R HA 0.270 4.677 4.340 0.112 0.000 0.270 84 R C -2.782 173.606 176.300 0.146 0.000 1.010 84 R CA -1.634 54.565 56.100 0.164 0.000 0.916 84 R CB 4.515 34.950 30.300 0.225 0.000 1.228 84 R HN 0.325 9.073 8.270 0.170 -0.376 0.469 85 N N 0.026 118.753 118.700 0.045 0.000 2.533 85 N HA 0.369 5.291 4.740 0.026 -0.166 0.289 85 N C -1.201 174.156 175.510 -0.255 0.000 1.103 85 N CA -0.006 52.983 53.050 -0.101 0.000 0.877 85 N CB 1.203 39.555 38.487 -0.225 0.000 1.419 85 N HN 0.195 8.593 8.380 0.028 0.000 0.517 86 A N 2.293 125.042 122.820 -0.118 0.000 2.238 86 A HA 0.098 4.374 4.320 -0.074 0.000 0.210 86 A C 0.359 177.915 177.584 -0.046 0.000 1.179 86 A CA 0.096 52.083 52.037 -0.082 0.000 0.827 86 A CB 0.841 19.821 19.000 -0.034 0.000 0.856 86 A HN 0.810 8.980 8.150 0.032 0.000 0.488 87 H N -2.550 116.577 119.070 0.096 0.000 2.748 87 H HA -0.346 4.254 4.556 0.072 0.000 0.322 87 H C -2.001 173.366 175.328 0.065 0.000 1.208 87 H CA 1.075 57.164 56.048 0.067 0.000 1.151 87 H CB -2.953 26.831 29.762 0.037 0.000 1.505 87 H HN -0.120 8.183 8.280 -0.318 -0.213 0.429 88 S N -4.942 110.860 115.700 0.170 0.000 2.625 88 S HA 0.877 5.538 4.470 0.118 -0.120 0.271 88 S C -2.597 172.150 174.600 0.246 0.000 1.161 88 S CA -0.841 57.462 58.200 0.173 0.000 0.820 88 S CB 4.171 67.441 63.200 0.117 0.000 1.137 88 S HN -0.332 8.081 8.310 0.171 0.000 0.470 89 A N -1.256 121.668 122.820 0.174 0.000 2.520 89 A HA 0.835 5.270 4.320 -0.058 -0.149 0.298 89 A C -2.373 175.219 177.584 0.014 0.000 1.051 89 A CA -0.351 51.711 52.037 0.042 0.000 0.690 89 A CB 3.947 22.930 19.000 -0.029 0.000 1.281 89 A HN 0.751 8.973 8.150 0.119 0.000 0.402 90 T N 3.821 118.315 114.554 -0.100 0.000 2.863 90 T HA 1.074 5.498 4.350 -0.247 -0.222 0.285 90 T C -0.713 173.736 174.700 -0.418 0.000 1.009 90 T CA -1.202 60.703 62.100 -0.325 0.000 0.989 90 T CB 2.597 71.083 68.868 -0.637 0.000 1.004 90 T HN 0.746 8.854 8.240 -0.220 0.000 0.455 91 T N 1.620 115.921 114.554 -0.422 0.000 2.841 91 T HA 0.768 5.187 4.350 -0.195 -0.185 0.283 91 T C -1.416 173.030 174.700 -0.423 0.000 1.000 91 T CA -1.964 59.962 62.100 -0.289 0.000 0.977 91 T CB 2.678 71.456 68.868 -0.149 0.000 0.979 91 T HN 0.574 8.588 8.240 -0.376 0.000 0.446 92 W N 4.554 125.487 121.300 -0.612 0.000 2.529 92 W HA 0.448 5.090 4.660 -0.268 -0.143 0.321 92 W C -1.355 174.842 176.519 -0.537 0.000 1.047 92 W CA -1.277 55.670 57.345 -0.664 0.000 1.216 92 W CB 3.232 31.815 29.460 -1.461 0.000 1.357 92 W HN 0.777 8.762 8.180 -0.324 0.000 0.489 93 S N 2.245 117.900 115.700 -0.075 0.000 2.502 93 S HA 0.721 5.301 4.470 -0.029 -0.128 0.304 93 S C -1.037 173.585 174.600 0.037 0.000 1.097 93 S CA -1.596 56.589 58.200 -0.025 0.000 1.045 93 S CB 1.541 64.730 63.200 -0.019 0.000 1.019 93 S HN 0.715 9.014 8.310 -0.019 0.000 0.481 94 G N 4.121 112.966 108.800 0.075 0.000 2.500 94 G HA2 0.607 4.626 3.960 0.099 0.000 0.299 94 G HA3 0.607 4.807 3.960 0.152 -0.148 0.299 94 G C -3.306 171.678 174.900 0.140 0.000 1.242 94 G CA 0.800 45.971 45.100 0.119 0.000 0.859 94 G HN 0.485 8.824 8.290 0.081 0.000 0.481 95 Q N -3.313 116.581 119.800 0.156 0.000 2.416 95 Q HA 0.838 5.482 4.340 0.188 -0.191 0.281 95 Q C -2.174 173.941 176.000 0.192 0.000 1.067 95 Q CA -1.968 53.934 55.803 0.166 0.000 0.809 95 Q CB 4.852 33.662 28.738 0.120 0.000 1.418 95 Q HN 0.220 8.586 8.270 0.160 0.000 0.411 96 Y N 3.407 123.760 120.300 0.088 0.000 2.330 96 Y HA 0.526 5.269 4.550 0.060 -0.157 0.336 96 Y C -2.357 173.607 175.900 0.106 0.000 1.036 96 Y CA -1.720 56.425 58.100 0.075 0.000 1.125 96 Y CB 2.543 41.031 38.460 0.047 0.000 1.194 96 Y HN 0.720 9.071 8.280 0.303 0.111 0.469 97 V N 8.371 127.949 119.914 -0.560 0.000 2.409 97 V HA 0.306 4.222 4.120 -0.341 0.000 0.290 97 V C -1.133 174.534 176.094 -0.711 0.000 1.017 97 V CA -1.185 60.849 62.300 -0.443 0.000 0.841 97 V CB 2.589 34.327 31.823 -0.142 0.000 1.003 97 V HN 0.393 8.310 8.190 -0.454 0.000 0.426 98 G N 4.608 112.970 108.800 -0.730 0.000 2.535 98 G HA2 0.559 4.326 3.960 -0.321 0.000 0.303 98 G HA3 0.559 4.451 3.960 -0.113 0.000 0.303 98 G C -0.822 174.027 174.900 -0.086 0.000 1.237 98 G CA -1.228 43.662 45.100 -0.349 0.000 0.986 98 G HN 0.262 8.229 8.290 -0.539 0.000 0.494 99 G N -2.321 106.486 108.800 0.012 0.000 2.320 99 G HA2 -0.183 3.793 3.960 0.026 0.000 0.274 99 G HA3 -0.183 3.780 3.960 0.004 0.000 0.274 99 G C -0.994 173.923 174.900 0.028 0.000 1.324 99 G CA -0.372 44.739 45.100 0.018 0.000 0.957 99 G HN -0.186 8.144 8.290 0.066 0.000 0.481 100 A N -0.887 121.945 122.820 0.020 0.000 1.930 100 A HA -0.073 4.255 4.320 0.013 0.000 0.217 100 A C 0.432 178.026 177.584 0.016 0.000 1.175 100 A CA 1.485 53.532 52.037 0.016 0.000 0.627 100 A CB 0.165 19.173 19.000 0.013 0.000 0.815 100 A HN 0.100 8.261 8.150 0.017 0.000 0.443 101 E N -0.934 119.281 120.200 0.026 0.000 2.489 101 E HA 0.117 4.487 4.350 0.033 0.000 0.232 101 E C -2.090 174.548 176.600 0.064 0.000 0.990 101 E CA -1.104 55.321 56.400 0.041 0.000 0.768 101 E CB 0.103 29.829 29.700 0.043 0.000 1.270 101 E HN -0.055 8.306 8.360 0.024 0.014 0.423 102 A N 4.477 127.350 122.820 0.087 0.000 2.354 102 A HA 0.262 4.774 4.320 0.048 -0.164 0.269 102 A C -0.854 176.935 177.584 0.342 0.000 1.109 102 A CA -0.376 51.757 52.037 0.160 0.000 0.800 102 A CB 1.766 20.928 19.000 0.270 0.000 1.045 102 A HN 0.282 8.465 8.150 0.055 0.000 0.489 103 R N -1.057 119.626 120.500 0.305 0.000 2.808 103 R HA 0.951 5.850 4.340 0.620 -0.187 0.272 103 R C -1.719 174.750 176.300 0.282 0.000 0.995 103 R CA -2.792 53.544 56.100 0.393 0.000 0.917 103 R CB 4.769 35.207 30.300 0.229 0.000 1.217 103 R HN 0.420 8.752 8.270 0.104 0.000 0.471 104 I N 0.394 121.137 120.570 0.288 0.000 2.447 104 I HA 0.530 5.017 4.170 0.173 -0.213 0.287 104 I C -1.720 174.595 176.117 0.329 0.000 1.023 104 I CA -1.111 60.309 61.300 0.200 0.000 1.083 104 I CB 3.105 41.090 38.000 -0.025 0.000 1.245 104 I HN 0.068 8.524 8.210 0.409 0.000 0.434 105 N N 9.075 127.925 118.700 0.250 0.000 2.408 105 N HA 0.558 5.457 4.740 0.265 0.000 0.280 105 N C -0.773 174.885 175.510 0.246 0.000 1.002 105 N CA -0.841 52.350 53.050 0.235 0.000 0.907 105 N CB 2.429 41.006 38.487 0.149 0.000 1.161 105 N HN 0.574 9.074 8.380 0.200 0.000 0.488 106 T N -0.409 114.325 114.554 0.301 0.000 2.865 106 T HA 0.771 5.376 4.350 0.193 -0.139 0.294 106 T C -1.232 173.613 174.700 0.241 0.000 1.119 106 T CA -1.911 60.359 62.100 0.284 0.000 1.007 106 T CB 3.296 72.426 68.868 0.438 0.000 1.225 106 T HN 0.660 9.097 8.240 0.327 0.000 0.515 107 Q N -0.448 119.438 119.800 0.144 0.000 2.372 107 Q HA 0.744 5.209 4.340 -0.059 -0.161 0.273 107 Q C -1.701 174.287 176.000 -0.021 0.000 1.078 107 Q CA -0.934 54.862 55.803 -0.011 0.000 0.806 107 Q CB 4.912 33.616 28.738 -0.057 0.000 1.332 107 Q HN 0.244 8.589 8.270 0.125 0.000 0.435 108 W N -1.211 119.980 121.300 -0.183 0.000 3.031 108 W HA 0.944 5.492 4.660 -0.421 -0.140 0.337 108 W C -3.030 173.295 176.519 -0.325 0.000 1.187 108 W CA -2.834 54.261 57.345 -0.417 0.000 1.166 108 W CB 3.447 32.391 29.460 -0.861 0.000 1.437 108 W HN 0.960 8.652 8.180 -0.637 0.105 0.551 109 L N -0.483 120.778 121.223 0.064 0.000 2.381 109 L HA 0.768 5.345 4.340 0.061 -0.201 0.274 109 L C -1.841 175.061 176.870 0.054 0.000 0.988 109 L CA -1.262 53.608 54.840 0.051 0.000 0.824 109 L CB 3.003 45.038 42.059 -0.041 0.000 1.263 109 L HN 0.422 8.605 8.230 -0.078 0.000 0.410 110 L N 5.302 126.601 121.223 0.127 0.000 2.345 110 L HA 0.680 5.161 4.340 -0.059 -0.176 0.274 110 L C -1.660 175.216 176.870 0.011 0.000 0.999 110 L CA -1.399 53.449 54.840 0.013 0.000 0.849 110 L CB 2.837 44.883 42.059 -0.021 0.000 1.220 110 L HN 0.752 9.096 8.230 0.190 0.000 0.422 111 T N 9.040 123.593 114.554 -0.003 0.000 2.794 111 T HA 0.667 5.236 4.350 -0.015 -0.228 0.280 111 T C -0.683 174.023 174.700 0.009 0.000 0.987 111 T CA -0.729 61.367 62.100 -0.005 0.000 0.993 111 T CB 1.866 70.729 68.868 -0.007 0.000 0.939 111 T HN 0.659 8.895 8.240 -0.007 0.000 0.449 112 S N 5.693 121.390 115.700 -0.006 0.000 2.549 112 S HA 0.474 5.110 4.470 0.039 -0.142 0.297 112 S C -0.185 174.418 174.600 0.005 0.000 1.115 112 S CA -0.244 57.960 58.200 0.007 0.000 1.059 112 S CB 2.223 65.410 63.200 -0.022 0.000 1.046 112 S HN 0.111 8.406 8.310 -0.025 0.000 0.506 113 G N 2.595 111.413 108.800 0.029 0.000 2.390 113 G HA2 0.078 4.039 3.960 0.003 0.000 0.270 113 G HA3 0.078 4.047 3.960 0.017 0.000 0.270 113 G C -0.879 174.008 174.900 -0.022 0.000 1.211 113 G CA 0.197 45.301 45.100 0.008 0.000 0.842 113 G HN 0.053 8.383 8.290 0.067 0.000 0.519 114 T N 0.191 114.726 114.554 -0.032 0.000 2.778 114 T HA 0.141 4.461 4.350 -0.049 0.000 0.293 114 T C -0.641 174.040 174.700 -0.033 0.000 1.144 114 T CA -1.612 60.461 62.100 -0.045 0.000 1.010 114 T CB 2.200 71.025 68.868 -0.071 0.000 1.325 114 T HN -0.294 7.931 8.240 -0.025 0.000 0.515 115 T N -2.496 112.041 114.554 -0.029 0.000 2.849 115 T HA 0.127 4.469 4.350 -0.013 0.000 0.284 115 T C 0.986 175.687 174.700 0.002 0.000 1.004 115 T CA -1.042 61.051 62.100 -0.012 0.000 1.021 115 T CB 1.296 70.160 68.868 -0.007 0.000 1.013 115 T HN -0.071 8.148 8.240 -0.035 0.000 0.527 116 E N 1.634 121.843 120.200 0.014 0.000 2.097 116 E HA -0.430 3.936 4.350 0.027 0.000 0.196 116 E C 2.197 178.833 176.600 0.060 0.000 1.000 116 E CA 3.080 59.499 56.400 0.031 0.000 0.804 116 E CB -0.259 29.458 29.700 0.028 0.000 0.740 116 E HN 0.494 8.860 8.360 0.010 0.000 0.454 117 A N -1.309 121.548 122.820 0.063 0.000 1.917 117 A HA -0.190 4.204 4.320 0.123 0.000 0.219 117 A C 1.716 179.399 177.584 0.166 0.000 1.182 117 A CA 2.599 54.701 52.037 0.108 0.000 0.633 117 A CB -0.708 18.341 19.000 0.082 0.000 0.819 117 A HN 0.215 8.382 8.150 0.043 0.009 0.448 118 N N -3.576 115.159 118.700 0.058 0.000 2.268 118 N HA 0.106 4.814 4.740 -0.053 0.000 0.204 118 N C 0.445 175.841 175.510 -0.191 0.000 1.124 118 N CA -0.658 52.344 53.050 -0.079 0.000 0.838 118 N CB -0.207 38.206 38.487 -0.123 0.000 0.994 118 N HN -0.609 7.687 8.380 0.027 0.100 0.489 119 A N 1.071 123.875 122.820 -0.028 0.000 2.076 119 A HA -0.079 4.203 4.320 -0.063 0.000 0.220 119 A C 1.693 179.271 177.584 -0.010 0.000 1.160 119 A CA 2.615 54.639 52.037 -0.022 0.000 0.653 119 A CB -0.473 18.551 19.000 0.041 0.000 0.801 119 A HN -0.239 7.736 8.150 0.051 0.206 0.455 120 W N -4.966 116.331 121.300 -0.005 0.000 2.425 120 W HA -0.192 4.463 4.660 -0.008 0.000 0.277 120 W C -0.284 176.231 176.519 -0.007 0.000 1.231 120 W CA 0.594 57.935 57.345 -0.007 0.000 1.248 120 W CB -0.691 28.764 29.460 -0.008 0.000 1.117 120 W HN -0.236 8.024 8.180 0.200 0.040 0.568 121 K N -2.033 117.891 120.400 -0.793 0.000 2.832 121 K HA 0.318 4.367 4.320 -0.450 0.000 0.211 121 K C -0.179 176.197 176.600 -0.373 0.000 1.112 121 K CA -0.538 55.311 56.287 -0.731 0.000 1.108 121 K CB -0.383 31.344 32.500 -1.290 0.000 0.899 121 K HN -0.699 6.918 8.250 -1.007 0.029 0.464 122 S N -0.983 114.583 115.700 -0.223 0.000 2.503 122 S HA 0.013 4.394 4.470 -0.149 0.000 0.217 122 S C -0.658 173.894 174.600 -0.080 0.000 0.999 122 S CA 1.131 59.251 58.200 -0.134 0.000 0.914 122 S CB 1.094 64.242 63.200 -0.088 0.000 0.782 122 S HN -0.477 7.658 8.310 -0.181 0.067 0.520 123 T N 4.826 119.340 114.554 -0.065 0.000 2.792 123 T HA 0.600 5.180 4.350 -0.020 -0.242 0.280 123 T C -0.322 174.364 174.700 -0.023 0.000 0.990 123 T CA 0.265 62.346 62.100 -0.032 0.000 0.960 123 T CB 1.829 70.683 68.868 -0.023 0.000 0.939 123 T HN -0.694 7.501 8.240 -0.075 0.000 0.439 124 L N 6.369 127.604 121.223 0.019 0.000 2.352 124 L HA 0.497 4.825 4.340 -0.020 0.000 0.269 124 L C -1.442 175.418 176.870 -0.017 0.000 1.034 124 L CA -0.734 54.127 54.840 0.035 0.000 0.806 124 L CB 2.530 44.684 42.059 0.159 0.000 1.244 124 L HN 0.680 8.936 8.230 0.043 0.000 0.447 125 V N 0.195 119.963 119.914 -0.244 0.000 2.841 125 V HA 1.001 5.006 4.120 -0.564 -0.223 0.310 125 V C -1.474 174.017 176.094 -1.005 0.000 1.090 125 V CA -2.452 59.524 62.300 -0.540 0.000 0.930 125 V CB 3.702 35.348 31.823 -0.296 0.000 1.014 125 V HN 0.031 8.096 8.190 -0.208 0.000 0.425 126 G N 5.030 112.823 108.800 -1.677 0.000 2.619 126 G HA2 0.292 3.768 3.960 -0.807 0.000 0.305 126 G HA3 0.292 3.012 3.960 -2.067 0.000 0.305 126 G C -3.359 170.796 174.900 -1.240 0.000 1.330 126 G CA 0.307 44.461 45.100 -1.577 0.000 0.789 126 G HN -0.001 7.312 8.290 -1.629 0.000 0.487 127 H N -4.037 114.671 119.070 -0.602 0.000 2.974 127 H HA 0.431 4.953 4.556 -0.191 -0.080 0.366 127 H C -1.886 173.549 175.328 0.178 0.000 1.155 127 H CA -1.445 54.498 56.048 -0.174 0.000 1.186 127 H CB 3.459 33.151 29.762 -0.115 0.000 1.799 127 H HN 0.046 7.752 8.280 -0.955 0.000 0.541 128 D N 1.046 121.677 120.400 0.386 0.000 2.732 128 D HA 0.316 5.172 4.640 0.141 -0.131 0.229 128 D C -1.136 175.245 176.300 0.135 0.000 1.152 128 D CA -0.379 53.764 54.000 0.239 0.000 0.854 128 D CB 4.669 45.617 40.800 0.248 0.000 1.590 128 D HN 0.100 8.633 8.370 0.445 0.104 0.468 129 T N 3.952 118.483 114.554 -0.037 0.000 2.824 129 T HA 0.645 5.283 4.350 0.206 -0.165 0.282 129 T C -1.160 173.482 174.700 -0.097 0.000 0.993 129 T CA -0.238 61.900 62.100 0.064 0.000 0.967 129 T CB 1.915 70.855 68.868 0.120 0.000 0.960 129 T HN 0.483 8.994 8.240 -0.091 -0.326 0.441 130 F N 5.853 125.969 119.950 0.277 0.000 2.480 130 F HA 0.672 5.614 4.527 0.350 -0.205 0.329 130 F C -0.017 176.078 175.800 0.491 0.000 1.091 130 F CA -1.499 56.720 58.000 0.365 0.000 0.972 130 F CB 3.493 42.686 39.000 0.322 0.000 1.150 130 F HN 0.875 9.473 8.300 0.497 0.000 0.467 131 T N 4.166 119.117 114.554 0.661 0.000 2.807 131 T HA 0.425 5.067 4.350 0.485 0.000 0.279 131 T C -1.187 173.718 174.700 0.342 0.000 0.993 131 T CA -0.546 61.833 62.100 0.465 0.000 0.970 131 T CB 2.335 71.368 68.868 0.275 0.000 0.950 131 T HN 0.953 9.565 8.240 0.619 0.000 0.441 132 K N 7.208 127.556 120.400 -0.087 0.000 2.218 132 K HA 0.192 4.028 4.320 -1.033 -0.136 0.276 132 K C -0.708 175.698 176.600 -0.324 0.000 1.022 132 K CA -0.265 55.550 56.287 -0.786 0.000 0.946 132 K CB 1.093 32.771 32.500 -1.369 0.000 1.000 132 K HN -0.304 7.960 8.250 0.023 0.000 0.468 133 V N 5.226 124.956 119.914 -0.308 0.000 2.612 133 V HA 0.071 4.161 4.120 -0.050 0.000 0.301 133 V C -0.893 175.101 176.094 -0.167 0.000 1.046 133 V CA -1.847 60.387 62.300 -0.110 0.000 0.946 133 V CB 1.362 33.209 31.823 0.041 0.000 1.003 133 V HN 0.512 8.416 8.190 -0.477 0.000 0.459 134 K N 5.949 126.288 120.400 -0.101 0.000 2.297 134 K HA 0.173 4.416 4.320 -0.128 0.000 0.286 134 K C -1.724 174.827 176.600 -0.082 0.000 1.053 134 K CA -3.101 53.128 56.287 -0.098 0.000 0.940 134 K CB -0.071 32.391 32.500 -0.063 0.000 1.019 134 K HN 0.119 8.330 8.250 -0.065 0.000 0.475 135 P HA 0.000 4.371 4.420 -0.082 0.000 0.216 135 P CA 0.000 63.039 63.100 -0.102 0.000 0.800 135 P CB 0.000 31.646 31.700 -0.090 0.000 0.726