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 2rtc_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 4.409 4.320 0.149 0.000 0.244 13 A C 0.000 177.580 177.584 -0.007 0.000 1.274 13 A CA 0.000 52.102 52.037 0.108 0.000 0.836 13 A CB 0.000 19.046 19.000 0.076 0.000 0.831 14 E N 3.517 123.733 120.200 0.027 0.000 2.058 14 E HA -0.419 3.670 4.350 -0.435 0.000 0.194 14 E C 1.553 178.024 176.600 -0.214 0.000 0.997 14 E CA 3.100 59.412 56.400 -0.147 0.000 0.801 14 E CB -0.630 29.084 29.700 0.024 0.000 0.746 14 E HN 0.686 9.112 8.360 0.111 0.000 0.450 15 A N 0.784 123.537 122.820 -0.112 0.000 1.852 15 A HA -0.333 3.921 4.320 -0.110 0.000 0.217 15 A C 2.470 179.969 177.584 -0.142 0.000 1.215 15 A CA 2.816 54.789 52.037 -0.106 0.000 0.641 15 A CB -1.162 17.808 19.000 -0.050 0.000 0.838 15 A HN 0.179 8.296 8.150 -0.055 0.000 0.450 16 G N -2.171 106.559 108.800 -0.117 0.000 2.596 16 G HA2 -0.278 3.688 3.960 0.010 0.000 0.223 16 G HA3 -0.278 3.658 3.960 -0.039 0.000 0.223 16 G C 0.955 175.689 174.900 -0.278 0.000 1.120 16 G CA 1.892 46.929 45.100 -0.104 0.000 0.752 16 G HN 0.446 8.695 8.290 -0.068 0.000 0.596 17 I N -0.316 119.954 120.570 -0.501 0.000 2.400 17 I HA -0.122 3.909 4.170 -0.231 0.000 0.248 17 I C -0.072 175.977 176.117 -0.114 0.000 1.109 17 I CA 1.579 62.632 61.300 -0.411 0.000 1.425 17 I CB 0.307 37.893 38.000 -0.690 0.000 1.094 17 I HN -0.768 7.120 8.210 -0.496 0.025 0.425 18 T N 1.653 116.080 114.554 -0.213 0.000 2.933 18 T HA -0.314 4.094 4.350 -0.227 -0.195 0.306 18 T C -0.291 174.320 174.700 -0.149 0.000 1.045 18 T CA 3.172 65.161 62.100 -0.185 0.000 1.143 18 T CB 0.011 68.774 68.868 -0.175 0.000 1.003 18 T HN -0.459 7.533 8.240 -0.266 0.088 0.540 19 G N 4.884 113.576 108.800 -0.179 0.000 2.357 19 G HA2 -0.144 3.544 3.960 -0.216 0.000 0.289 19 G HA3 -0.144 3.719 3.960 -0.340 -0.107 0.289 19 G C -2.889 171.850 174.900 -0.268 0.000 1.302 19 G CA 0.095 45.044 45.100 -0.251 0.000 0.936 19 G HN 0.147 8.313 8.290 -0.207 0.000 0.513 20 T N 2.594 116.959 114.554 -0.316 0.000 2.824 20 T HA 0.857 5.293 4.350 -0.150 -0.176 0.280 20 T C -1.127 173.403 174.700 -0.283 0.000 0.995 20 T CA 0.752 62.734 62.100 -0.197 0.000 1.009 20 T CB 1.927 70.727 68.868 -0.115 0.000 0.955 20 T HN 0.285 8.180 8.240 -0.342 0.140 0.452 21 W N 4.354 125.574 121.300 -0.132 0.000 2.950 21 W HA 0.632 5.324 4.660 -0.194 -0.148 0.340 21 W C -1.811 174.777 176.519 0.115 0.000 1.139 21 W CA -1.229 56.075 57.345 -0.068 0.000 1.188 21 W CB 4.022 33.508 29.460 0.042 0.000 1.426 21 W HN 0.893 9.156 8.180 0.137 0.000 0.531 22 Y N -4.352 116.243 120.300 0.492 0.000 2.536 22 Y HA 1.076 6.044 4.550 0.331 -0.219 0.347 22 Y C -1.588 174.524 175.900 0.353 0.000 1.000 22 Y CA -3.210 55.100 58.100 0.349 0.000 1.051 22 Y CB 2.248 40.811 38.460 0.171 0.000 1.259 22 Y HN 0.534 8.475 8.280 -0.566 0.000 0.468 23 N N -0.487 118.399 118.700 0.310 0.000 2.592 23 N HA 0.664 5.517 4.740 -0.142 -0.198 0.292 23 N C 2.116 177.680 175.510 0.091 0.000 1.260 23 N CA -3.043 49.947 53.050 -0.100 0.000 0.910 23 N CB 2.146 40.244 38.487 -0.648 0.000 1.257 23 N HN -0.186 8.391 8.380 0.329 0.000 0.569 24 Q N -1.154 118.663 119.800 0.028 0.000 2.364 24 Q HA -0.154 4.254 4.340 0.114 0.000 0.209 24 Q C 0.330 176.369 176.000 0.066 0.000 0.977 24 Q CA 2.302 58.152 55.803 0.077 0.000 0.885 24 Q CB -0.874 27.904 28.738 0.068 0.000 0.941 24 Q HN 0.265 8.499 8.270 -0.060 0.000 0.464 25 L N -3.520 117.739 121.223 0.060 0.000 2.446 25 L HA -0.010 4.360 4.340 0.049 0.000 0.219 25 L C 0.936 177.846 176.870 0.066 0.000 1.116 25 L CA -0.098 54.778 54.840 0.060 0.000 0.844 25 L CB 0.557 42.655 42.059 0.064 0.000 0.970 25 L HN -0.438 8.040 8.230 0.045 -0.221 0.457 26 G N -1.925 106.928 108.800 0.089 0.000 2.138 26 G HA2 -0.207 3.805 3.960 0.087 0.000 0.193 26 G HA3 -0.207 3.787 3.960 0.055 0.000 0.193 26 G C -0.842 174.124 174.900 0.109 0.000 0.998 26 G CA 0.022 45.173 45.100 0.086 0.000 0.668 26 G HN -0.348 8.000 8.290 0.105 0.005 0.516 27 S N 1.084 116.869 115.700 0.141 0.000 2.632 27 S HA 0.346 4.942 4.470 0.102 -0.065 0.271 27 S C -0.936 173.720 174.600 0.092 0.000 1.260 27 S CA 0.727 58.997 58.200 0.117 0.000 1.010 27 S CB 1.855 65.184 63.200 0.215 0.000 0.965 27 S HN -0.418 8.277 8.310 0.149 -0.296 0.534 28 T N 3.725 118.247 114.554 -0.052 0.000 2.823 28 T HA 0.642 5.222 4.350 0.133 -0.150 0.279 28 T C -1.491 173.064 174.700 -0.241 0.000 0.998 28 T CA -0.230 61.857 62.100 -0.021 0.000 0.994 28 T CB 1.665 70.537 68.868 0.007 0.000 0.960 28 T HN 0.743 8.923 8.240 -0.100 0.000 0.448 29 F N 8.024 127.806 119.950 -0.280 0.000 2.539 29 F HA 0.635 5.017 4.527 -0.462 -0.132 0.328 29 F C -3.115 172.583 175.800 -0.169 0.000 1.148 29 F CA -2.440 55.328 58.000 -0.387 0.000 0.940 29 F CB 3.596 42.264 39.000 -0.553 0.000 1.194 29 F HN 0.673 9.056 8.300 0.137 0.000 0.438 30 I N 8.272 128.630 120.570 -0.354 0.000 2.355 30 I HA 0.589 4.725 4.170 -0.305 -0.149 0.288 30 I C -2.301 173.512 176.117 -0.507 0.000 0.999 30 I CA -2.321 58.780 61.300 -0.332 0.000 1.163 30 I CB 0.509 38.408 38.000 -0.168 0.000 1.316 30 I HN 0.707 8.785 8.210 -0.220 0.000 0.454 31 V N 8.263 127.816 119.914 -0.601 0.000 2.962 31 V HA 0.893 4.914 4.120 -0.458 -0.175 0.313 31 V C -2.086 173.793 176.094 -0.358 0.000 1.099 31 V CA -3.091 58.861 62.300 -0.579 0.000 0.971 31 V CB 4.771 35.986 31.823 -1.012 0.000 1.028 31 V HN 0.569 8.457 8.190 -0.502 0.000 0.430 32 T N 8.390 122.777 114.554 -0.277 0.000 2.848 32 T HA 0.274 4.500 4.350 -0.208 0.000 0.285 32 T C -2.220 172.356 174.700 -0.205 0.000 0.995 32 T CA -0.609 61.369 62.100 -0.203 0.000 0.970 32 T CB 2.195 70.981 68.868 -0.136 0.000 0.976 32 T HN 0.414 8.495 8.240 -0.264 0.000 0.441 33 A N 7.125 129.805 122.820 -0.234 0.000 2.276 33 A HA 0.747 5.087 4.320 -0.223 -0.154 0.316 33 A C -0.955 176.590 177.584 -0.065 0.000 1.229 33 A CA -1.978 49.895 52.037 -0.274 0.000 0.851 33 A CB 1.587 20.209 19.000 -0.631 0.000 1.165 33 A HN 0.601 8.615 8.150 -0.227 0.000 0.513 34 G N 0.887 109.736 108.800 0.082 0.000 2.462 34 G HA2 0.290 4.272 3.960 0.036 0.000 0.319 34 G HA3 0.290 4.293 3.960 0.071 0.000 0.319 34 G C -0.050 174.948 174.900 0.163 0.000 1.171 34 G CA -1.510 43.643 45.100 0.088 0.000 0.920 34 G HN 0.670 8.929 8.290 0.146 0.118 0.499 35 A N 0.430 123.305 122.820 0.092 0.000 1.986 35 A HA -0.292 4.090 4.320 0.103 0.000 0.220 35 A C 0.360 177.971 177.584 0.045 0.000 1.171 35 A CA 2.660 54.744 52.037 0.078 0.000 0.640 35 A CB -0.295 18.728 19.000 0.039 0.000 0.811 35 A HN 0.512 8.695 8.150 0.056 0.000 0.451 36 D N -7.673 112.746 120.400 0.031 0.000 2.336 36 D HA -0.174 4.447 4.640 -0.031 0.000 0.229 36 D C 0.329 176.580 176.300 -0.081 0.000 1.061 36 D CA -0.861 53.129 54.000 -0.017 0.000 0.875 36 D CB -0.537 40.261 40.800 -0.003 0.000 0.904 36 D HN -0.324 8.045 8.370 0.047 0.029 0.525 37 G N -2.007 106.720 108.800 -0.121 0.000 2.159 37 G HA2 -0.417 2.712 3.960 -1.385 0.000 0.227 37 G HA3 -0.417 3.310 3.960 -0.388 0.000 0.227 37 G C -1.478 173.429 174.900 0.013 0.000 0.986 37 G CA -0.065 44.770 45.100 -0.442 0.000 0.651 37 G HN -0.081 8.167 8.290 0.031 0.061 0.523 38 A N -0.185 122.736 122.820 0.169 0.000 2.286 38 A HA 0.499 5.022 4.320 0.142 -0.117 0.286 38 A C -1.996 175.716 177.584 0.214 0.000 1.097 38 A CA -1.281 50.856 52.037 0.167 0.000 0.821 38 A CB 2.434 21.485 19.000 0.085 0.000 1.076 38 A HN -0.671 7.683 8.150 0.146 -0.117 0.490 39 L N 1.447 122.750 121.223 0.132 0.000 2.409 39 L HA 0.991 5.501 4.340 -0.043 -0.196 0.272 39 L C -0.812 176.055 176.870 -0.005 0.000 0.980 39 L CA -0.974 53.883 54.840 0.029 0.000 0.826 39 L CB 4.162 46.257 42.059 0.061 0.000 1.268 39 L HN -0.008 8.297 8.230 0.125 0.000 0.407 40 T N -0.226 114.289 114.554 -0.065 0.000 2.864 40 T HA 0.905 5.430 4.350 -0.018 -0.186 0.299 40 T C -0.944 173.690 174.700 -0.109 0.000 1.166 40 T CA -2.356 59.714 62.100 -0.050 0.000 1.007 40 T CB 3.515 72.367 68.868 -0.028 0.000 1.219 40 T HN 0.216 8.389 8.240 -0.110 0.000 0.506 41 G N -0.895 107.858 108.800 -0.078 0.000 2.351 41 G HA2 0.178 4.076 3.960 -0.103 0.000 0.279 41 G HA3 0.178 4.218 3.960 -0.189 -0.194 0.279 41 G C -2.766 172.117 174.900 -0.028 0.000 1.297 41 G CA 1.039 46.077 45.100 -0.105 0.000 0.886 41 G HN -0.433 7.837 8.290 -0.035 0.000 0.493 42 T N -2.251 112.294 114.554 -0.015 0.000 2.906 42 T HA 1.022 5.633 4.350 0.127 -0.185 0.295 42 T C -2.457 172.350 174.700 0.179 0.000 1.061 42 T CA -2.238 59.916 62.100 0.089 0.000 1.000 42 T CB 3.673 72.576 68.868 0.059 0.000 1.103 42 T HN 0.051 8.242 8.240 -0.082 0.000 0.486 43 Y N 1.610 122.008 120.300 0.163 0.000 2.442 43 Y HA 0.642 5.499 4.550 0.221 -0.174 0.344 43 Y C -2.589 173.530 175.900 0.364 0.000 0.976 43 Y CA -1.800 56.446 58.100 0.243 0.000 1.040 43 Y CB 4.750 43.338 38.460 0.214 0.000 1.228 43 Y HN 0.725 9.233 8.280 0.379 0.000 0.451 44 E N 8.007 128.347 120.200 0.233 0.000 2.182 44 E HA 0.543 5.349 4.350 0.482 -0.167 0.258 44 E C -1.990 174.795 176.600 0.307 0.000 0.879 44 E CA -1.641 54.945 56.400 0.309 0.000 0.754 44 E CB 3.540 33.322 29.700 0.136 0.000 1.162 44 E HN 0.695 8.938 8.360 -0.195 0.000 0.419 45 S N 7.514 123.504 115.700 0.484 0.000 2.541 45 S HA 0.127 4.865 4.470 0.446 0.000 0.283 45 S C -0.093 174.610 174.600 0.171 0.000 1.196 45 S CA -1.871 56.550 58.200 0.369 0.000 1.062 45 S CB 1.204 64.503 63.200 0.165 0.000 1.009 45 S HN 0.679 9.331 8.310 0.571 0.000 0.502 46 A N 6.701 129.598 122.820 0.127 0.000 2.132 46 A HA 0.131 4.491 4.320 0.066 0.000 0.213 46 A C -0.249 177.345 177.584 0.017 0.000 1.154 46 A CA 0.870 52.948 52.037 0.068 0.000 0.753 46 A CB 0.732 19.773 19.000 0.069 0.000 0.826 46 A HN 0.456 8.707 8.150 0.169 0.000 0.469 47 V N -5.666 114.234 119.914 -0.023 0.000 3.155 47 V HA 0.564 4.649 4.120 -0.059 0.000 0.313 47 V C -0.172 175.809 176.094 -0.188 0.000 1.162 47 V CA -1.670 60.578 62.300 -0.087 0.000 1.048 47 V CB 2.091 33.862 31.823 -0.087 0.000 1.092 47 V HN -0.148 7.995 8.190 -0.008 0.042 0.447 48 G N 0.442 109.130 108.800 -0.187 0.000 2.698 48 G HA2 -0.313 3.513 3.960 -0.224 0.000 0.225 48 G HA3 -0.313 3.400 3.960 -0.412 0.000 0.225 48 G C -1.068 173.720 174.900 -0.187 0.000 1.345 48 G CA -0.287 44.658 45.100 -0.258 0.000 0.871 48 G HN 0.279 8.489 8.290 -0.133 0.000 0.540 49 N N 2.272 120.848 118.700 -0.207 0.000 3.322 49 N HA 0.055 4.760 4.740 -0.058 0.000 0.290 49 N C -1.901 173.555 175.510 -0.089 0.000 1.297 49 N CA -1.163 51.825 53.050 -0.104 0.000 1.167 49 N CB -1.076 37.362 38.487 -0.081 0.000 1.434 49 N HN 0.095 8.304 8.380 -0.285 0.000 0.526 50 A N -0.526 122.254 122.820 -0.066 0.000 2.380 50 A HA 0.380 4.842 4.320 0.238 0.000 0.315 50 A C -1.734 175.997 177.584 0.245 0.000 1.101 50 A CA -1.457 50.638 52.037 0.096 0.000 0.771 50 A CB 2.939 21.844 19.000 -0.158 0.000 1.287 50 A HN -0.574 7.465 8.150 -0.075 0.066 0.436 51 E N 3.988 124.447 120.200 0.432 0.000 2.334 51 E HA 0.220 4.666 4.350 0.160 0.000 0.280 51 E C -1.512 175.165 176.600 0.128 0.000 0.899 51 E CA 0.307 56.836 56.400 0.214 0.000 0.813 51 E CB 2.088 31.867 29.700 0.131 0.000 1.318 51 E HN 0.410 9.243 8.360 0.788 0.000 0.399 52 S N 1.855 117.608 115.700 0.089 0.000 3.983 52 S HA -0.312 4.146 4.470 -0.019 0.000 0.636 52 S C -1.669 172.963 174.600 0.053 0.000 1.724 52 S CA 0.635 58.826 58.200 -0.015 0.000 1.966 52 S CB 0.187 63.307 63.200 -0.133 0.000 0.329 52 S HN 0.271 8.657 8.310 0.126 0.000 1.703 53 R N 1.281 121.760 120.500 -0.034 0.000 2.536 53 R HA 0.499 5.183 4.340 0.273 -0.181 0.279 53 R C -0.908 175.309 176.300 -0.139 0.000 1.001 53 R CA -0.691 55.450 56.100 0.068 0.000 1.027 53 R CB 1.879 32.216 30.300 0.061 0.000 1.096 53 R HN -0.007 8.227 8.270 -0.060 0.000 0.502 54 Y N -1.783 118.638 120.300 0.201 0.000 2.536 54 Y HA 0.188 4.809 4.550 0.118 0.000 0.347 54 Y C -0.747 175.200 175.900 0.078 0.000 1.000 54 Y CA -1.087 57.091 58.100 0.130 0.000 1.051 54 Y CB 3.142 41.659 38.460 0.095 0.000 1.259 54 Y HN 0.311 8.872 8.280 0.469 0.000 0.468 55 V N 1.617 121.632 119.914 0.168 0.000 2.649 55 V HA 0.159 4.480 4.120 0.089 -0.147 0.292 55 V C -0.573 175.573 176.094 0.087 0.000 1.055 55 V CA 0.954 63.312 62.300 0.096 0.000 1.023 55 V CB 0.598 32.455 31.823 0.056 0.000 0.992 55 V HN 0.722 9.010 8.190 0.164 0.000 0.480 56 L N 1.795 123.067 121.223 0.083 0.000 2.371 56 L HA 1.037 5.601 4.340 0.110 -0.158 0.262 56 L C -1.636 175.283 176.870 0.082 0.000 1.006 56 L CA -1.640 53.265 54.840 0.108 0.000 0.818 56 L CB 4.278 46.424 42.059 0.145 0.000 1.354 56 L HN 0.500 8.768 8.230 0.064 0.000 0.415 57 T N 0.683 115.311 114.554 0.124 0.000 2.916 57 T HA 0.796 5.392 4.350 0.072 -0.202 0.305 57 T C -1.356 173.453 174.700 0.181 0.000 1.119 57 T CA -1.755 60.408 62.100 0.106 0.000 1.008 57 T CB 2.342 71.254 68.868 0.074 0.000 1.129 57 T HN -0.261 8.083 8.240 0.173 0.000 0.480 58 G N 2.221 111.124 108.800 0.171 0.000 2.619 58 G HA2 0.651 4.742 3.960 0.218 0.000 0.305 58 G HA3 0.651 4.934 3.960 0.332 -0.123 0.305 58 G C -2.939 172.074 174.900 0.189 0.000 1.330 58 G CA 0.565 45.805 45.100 0.234 0.000 0.789 58 G HN 0.261 8.626 8.290 0.125 0.000 0.487 59 R N -3.328 117.301 120.500 0.215 0.000 2.740 59 R HA 1.170 5.849 4.340 0.207 -0.214 0.273 59 R C -1.709 174.752 176.300 0.269 0.000 0.998 59 R CA -2.337 53.879 56.100 0.193 0.000 0.900 59 R CB 4.835 35.192 30.300 0.095 0.000 1.223 59 R HN 0.006 8.424 8.270 0.245 0.000 0.466 60 Y N -2.884 117.451 120.300 0.058 0.000 2.655 60 Y HA 0.541 5.247 4.550 0.082 -0.107 0.336 60 Y C -2.101 173.828 175.900 0.048 0.000 1.154 60 Y CA -2.619 55.518 58.100 0.062 0.000 1.055 60 Y CB 2.336 40.822 38.460 0.043 0.000 1.295 60 Y HN 0.474 8.668 8.280 0.024 0.100 0.465 61 D N -0.212 120.152 120.400 -0.062 0.000 2.374 61 D HA 0.149 4.668 4.640 -0.202 0.000 0.240 61 D C 0.002 176.161 176.300 -0.234 0.000 1.229 61 D CA -0.808 53.108 54.000 -0.140 0.000 0.895 61 D CB 0.270 41.085 40.800 0.025 0.000 1.046 61 D HN -0.023 8.462 8.370 0.191 0.000 0.498 62 S N 4.116 119.516 115.700 -0.500 0.000 2.481 62 S HA -0.197 4.207 4.470 -0.110 0.000 0.231 62 S C 0.062 174.646 174.600 -0.027 0.000 0.996 62 S CA 1.359 59.378 58.200 -0.302 0.000 0.942 62 S CB 0.299 63.282 63.200 -0.362 0.000 0.768 62 S HN -0.089 7.914 8.310 -0.512 0.000 0.520 63 A N 1.871 124.669 122.820 -0.036 0.000 3.165 63 A HA 0.484 4.823 4.320 0.033 0.000 0.331 63 A C -2.781 174.822 177.584 0.032 0.000 1.034 63 A CA -3.143 48.900 52.037 0.010 0.000 0.906 63 A CB -0.226 18.770 19.000 -0.008 0.000 1.054 63 A HN -0.649 7.493 8.150 -0.085 -0.042 0.484 64 P HA 0.170 4.870 4.420 0.068 -0.239 0.286 64 P C -0.944 176.391 177.300 0.058 0.000 1.278 64 P CA -0.452 62.695 63.100 0.078 0.000 0.785 64 P CB 1.173 32.947 31.700 0.124 0.000 1.269 65 A N -3.283 119.570 122.820 0.056 0.000 2.282 65 A HA 0.310 4.651 4.320 0.036 0.000 0.319 65 A C 1.331 178.942 177.584 0.044 0.000 1.121 65 A CA -1.898 50.164 52.037 0.042 0.000 0.836 65 A CB 2.028 21.050 19.000 0.036 0.000 1.146 65 A HN -0.269 7.919 8.150 0.064 0.000 0.494 66 T N 0.288 114.864 114.554 0.036 0.000 3.843 66 T HA 0.007 4.381 4.350 0.041 0.000 0.227 66 T C -1.631 173.087 174.700 0.030 0.000 1.043 66 T CA -0.774 61.347 62.100 0.035 0.000 1.012 66 T CB -1.748 67.138 68.868 0.029 0.000 1.279 66 T HN 0.378 8.656 8.240 0.031 -0.020 0.730 67 D N -0.274 120.145 120.400 0.032 0.000 3.009 67 D HA 0.042 4.696 4.640 0.023 0.000 0.318 67 D C -0.296 176.019 176.300 0.026 0.000 1.273 67 D CA -1.090 52.925 54.000 0.026 0.000 1.001 67 D CB 1.443 42.257 40.800 0.022 0.000 1.411 67 D HN -0.061 8.008 8.370 0.038 0.325 0.577 68 G N -1.643 107.169 108.800 0.020 0.000 3.939 68 G HA2 0.194 4.163 3.960 0.015 0.000 0.268 68 G HA3 0.194 4.160 3.960 0.011 0.000 0.268 68 G C -0.725 174.184 174.900 0.014 0.000 1.172 68 G CA -0.460 44.649 45.100 0.015 0.000 1.614 68 G HN -0.239 8.062 8.290 0.018 0.000 0.639 69 S N 1.509 117.223 115.700 0.023 0.000 2.593 69 S HA 0.189 4.672 4.470 0.021 0.000 0.297 69 S C -0.350 174.270 174.600 0.033 0.000 1.112 69 S CA -0.353 57.864 58.200 0.028 0.000 1.043 69 S CB 2.653 65.874 63.200 0.035 0.000 1.054 69 S HN -0.943 7.299 8.310 0.029 0.086 0.516 70 G N 0.157 108.978 108.800 0.035 0.000 2.580 70 G HA2 0.248 4.275 3.960 0.011 0.000 0.278 70 G HA3 0.248 4.232 3.960 0.038 0.000 0.278 70 G C -1.041 173.921 174.900 0.103 0.000 1.212 70 G CA -0.680 44.447 45.100 0.045 0.000 0.939 70 G HN 0.033 8.343 8.290 0.033 0.000 0.513 71 T N 3.807 118.463 114.554 0.171 0.000 2.756 71 T HA 0.122 4.581 4.350 0.182 0.000 0.290 71 T C -0.769 174.062 174.700 0.218 0.000 0.985 71 T CA 0.420 62.659 62.100 0.231 0.000 0.955 71 T CB 1.060 70.153 68.868 0.375 0.000 0.930 71 T HN 0.389 8.624 8.240 0.175 0.110 0.451 72 A N 8.594 131.515 122.820 0.168 0.000 2.425 72 A HA 0.532 5.120 4.320 0.144 -0.181 0.249 72 A C -1.345 176.357 177.584 0.195 0.000 1.084 72 A CA -0.024 52.103 52.037 0.150 0.000 0.781 72 A CB 0.908 19.970 19.000 0.103 0.000 1.019 72 A HN 0.658 8.894 8.150 0.143 0.000 0.490 73 L N -4.713 116.631 121.223 0.202 0.000 2.933 73 L HA 0.913 5.507 4.340 0.242 -0.109 0.271 73 L C -1.096 175.915 176.870 0.235 0.000 1.071 73 L CA -0.932 54.060 54.840 0.253 0.000 0.938 73 L CB 2.807 45.050 42.059 0.306 0.000 1.534 73 L HN -0.111 8.224 8.230 0.176 0.000 0.396 74 G N -4.008 104.971 108.800 0.298 0.000 2.579 74 G HA2 0.677 4.863 3.960 0.138 0.000 0.292 74 G HA3 0.677 4.717 3.960 0.133 0.000 0.292 74 G C -3.226 171.915 174.900 0.401 0.000 1.484 74 G CA 0.938 46.178 45.100 0.232 0.000 0.813 74 G HN -0.301 8.194 8.290 0.341 0.000 0.515 75 W N -2.948 118.425 121.300 0.122 0.000 3.025 75 W HA 0.738 5.541 4.660 0.081 -0.094 0.343 75 W C -3.122 173.494 176.519 0.161 0.000 1.246 75 W CA -1.705 55.702 57.345 0.103 0.000 1.178 75 W CB 2.173 31.663 29.460 0.050 0.000 1.463 75 W HN 0.500 8.618 8.180 -0.103 0.000 0.578 76 T N 0.773 115.517 114.554 0.316 0.000 2.900 76 T HA 0.948 5.542 4.350 0.055 -0.212 0.295 76 T C -1.553 173.230 174.700 0.138 0.000 1.044 76 T CA -0.529 61.652 62.100 0.136 0.000 0.995 76 T CB 3.279 72.169 68.868 0.035 0.000 1.072 76 T HN 0.462 8.930 8.240 0.380 0.000 0.473 77 V N 3.375 123.242 119.914 -0.078 0.000 2.623 77 V HA 0.332 4.474 4.120 -0.202 -0.143 0.304 77 V C -2.414 173.279 176.094 -0.668 0.000 1.054 77 V CA -1.215 60.858 62.300 -0.379 0.000 0.882 77 V CB 4.131 35.524 31.823 -0.717 0.000 1.002 77 V HN 0.603 8.699 8.190 -0.157 0.000 0.424 78 A N 4.839 127.369 122.820 -0.483 0.000 2.288 78 A HA 0.579 4.799 4.320 -0.359 -0.116 0.320 78 A C -0.179 177.174 177.584 -0.385 0.000 1.217 78 A CA -1.800 50.035 52.037 -0.337 0.000 0.840 78 A CB 1.891 20.831 19.000 -0.101 0.000 1.179 78 A HN 0.670 8.635 8.150 -0.307 0.000 0.504 79 W N 5.390 126.644 121.300 -0.076 0.000 1.395 79 W HA 0.002 4.373 4.660 -0.482 0.000 0.451 79 W C -1.673 174.906 176.519 0.099 0.000 0.619 79 W CA -0.790 56.441 57.345 -0.190 0.000 2.212 79 W CB -0.753 28.532 29.460 -0.291 0.000 1.537 79 W HN 0.778 8.879 8.180 -0.132 0.000 0.275 80 K N 1.053 121.697 120.400 0.407 0.000 2.482 80 K HA 0.757 5.485 4.320 0.315 -0.219 0.251 80 K C -1.786 174.988 176.600 0.290 0.000 0.936 80 K CA -1.221 55.250 56.287 0.308 0.000 0.791 80 K CB 3.252 35.829 32.500 0.129 0.000 1.213 80 K HN -0.219 8.162 8.250 0.345 0.076 0.428 81 N N 4.841 123.634 118.700 0.156 0.000 3.418 81 N HA 0.245 4.972 4.740 -0.021 0.000 0.316 81 N C -0.824 174.617 175.510 -0.115 0.000 1.601 81 N CA -1.281 51.744 53.050 -0.041 0.000 0.805 81 N CB 0.821 39.148 38.487 -0.267 0.000 1.873 81 N HN 0.921 9.403 8.380 0.170 0.000 0.615 82 N N -1.492 117.035 118.700 -0.289 0.000 2.521 82 N HA 0.047 4.603 4.740 -0.306 0.000 0.188 82 N C -0.185 174.876 175.510 -0.749 0.000 1.146 82 N CA 2.183 54.915 53.050 -0.530 0.000 0.893 82 N CB 0.048 38.110 38.487 -0.707 0.000 0.975 82 N HN 0.128 8.352 8.380 -0.259 0.000 0.451 83 Y N -2.265 118.018 120.300 -0.028 0.000 2.581 83 Y HA 0.110 4.658 4.550 -0.002 0.000 0.271 83 Y C -0.239 175.674 175.900 0.022 0.000 1.100 83 Y CA 1.141 59.237 58.100 -0.007 0.000 1.281 83 Y CB 1.924 40.373 38.460 -0.018 0.000 1.237 83 Y HN -0.364 8.049 8.280 -0.157 -0.226 0.514 84 R N -2.842 117.763 120.500 0.175 0.000 2.836 84 R HA 0.288 4.691 4.340 0.105 0.000 0.269 84 R C -2.545 173.839 176.300 0.139 0.000 1.010 84 R CA -1.299 54.896 56.100 0.159 0.000 0.930 84 R CB 4.347 34.785 30.300 0.229 0.000 1.218 84 R HN 0.158 8.942 8.270 0.161 -0.417 0.473 85 N N 0.012 118.737 118.700 0.043 0.000 2.558 85 N HA 0.360 5.255 4.740 0.027 -0.139 0.285 85 N C -1.240 174.149 175.510 -0.202 0.000 1.112 85 N CA -0.043 52.955 53.050 -0.088 0.000 0.857 85 N CB 1.778 40.117 38.487 -0.248 0.000 1.376 85 N HN 0.353 8.747 8.380 0.023 0.000 0.526 86 A N 3.008 125.789 122.820 -0.065 0.000 2.238 86 A HA 0.099 4.381 4.320 -0.062 0.000 0.210 86 A C 0.105 177.685 177.584 -0.006 0.000 1.179 86 A CA -0.128 51.882 52.037 -0.046 0.000 0.827 86 A CB 0.697 19.692 19.000 -0.008 0.000 0.856 86 A HN 0.887 9.079 8.150 0.069 0.000 0.488 87 H N -2.302 116.829 119.070 0.101 0.000 2.748 87 H HA -0.346 4.252 4.556 0.070 0.000 0.322 87 H C -2.068 173.301 175.328 0.069 0.000 1.208 87 H CA 1.011 57.100 56.048 0.069 0.000 1.151 87 H CB -2.981 26.803 29.762 0.038 0.000 1.505 87 H HN -0.157 8.230 8.280 -0.146 -0.194 0.429 88 S N -5.403 110.413 115.700 0.194 0.000 2.588 88 S HA 0.845 5.499 4.470 0.123 -0.110 0.269 88 S C -2.679 172.067 174.600 0.242 0.000 1.157 88 S CA -0.914 57.399 58.200 0.187 0.000 0.824 88 S CB 4.116 67.408 63.200 0.152 0.000 1.126 88 S HN -0.353 8.077 8.310 0.200 0.000 0.464 89 A N -0.807 122.099 122.820 0.144 0.000 2.515 89 A HA 0.832 5.149 4.320 -0.211 -0.123 0.298 89 A C -2.346 175.212 177.584 -0.044 0.000 1.059 89 A CA -0.577 51.440 52.037 -0.035 0.000 0.698 89 A CB 3.958 22.911 19.000 -0.078 0.000 1.289 89 A HN 0.867 9.079 8.150 0.103 0.000 0.404 90 T N 4.127 118.565 114.554 -0.192 0.000 2.863 90 T HA 1.085 5.509 4.350 -0.270 -0.237 0.285 90 T C -0.582 173.828 174.700 -0.484 0.000 1.009 90 T CA -1.503 60.372 62.100 -0.375 0.000 0.989 90 T CB 2.657 71.150 68.868 -0.624 0.000 1.004 90 T HN 0.776 8.789 8.240 -0.378 0.000 0.455 91 T N 1.268 115.531 114.554 -0.484 0.000 2.861 91 T HA 0.797 5.208 4.350 -0.225 -0.197 0.287 91 T C -1.731 172.696 174.700 -0.455 0.000 1.003 91 T CA -1.644 60.262 62.100 -0.324 0.000 0.977 91 T CB 2.417 71.187 68.868 -0.163 0.000 0.996 91 T HN 0.466 8.443 8.240 -0.438 0.000 0.448 92 W N 3.303 124.239 121.300 -0.608 0.000 2.632 92 W HA 0.423 5.048 4.660 -0.295 -0.143 0.328 92 W C -1.521 174.706 176.519 -0.486 0.000 1.044 92 W CA -1.355 55.596 57.345 -0.656 0.000 1.225 92 W CB 3.772 32.346 29.460 -1.476 0.000 1.396 92 W HN 0.980 8.970 8.180 -0.316 0.000 0.499 93 S N 1.630 117.294 115.700 -0.060 0.000 2.557 93 S HA 0.766 5.384 4.470 0.008 -0.143 0.291 93 S C -1.114 173.516 174.600 0.049 0.000 1.116 93 S CA -1.349 56.848 58.200 -0.005 0.000 0.992 93 S CB 1.625 64.820 63.200 -0.009 0.000 1.028 93 S HN 0.695 8.996 8.310 -0.015 0.000 0.484 94 G N 3.451 112.305 108.800 0.089 0.000 2.450 94 G HA2 0.507 4.521 3.960 0.090 0.000 0.273 94 G HA3 0.507 4.746 3.960 0.142 -0.194 0.273 94 G C -3.442 171.539 174.900 0.135 0.000 1.221 94 G CA 0.945 46.113 45.100 0.115 0.000 0.900 94 G HN 0.212 8.563 8.290 0.103 0.000 0.483 95 Q N -3.380 116.505 119.800 0.141 0.000 2.379 95 Q HA 0.806 5.423 4.340 0.178 -0.170 0.278 95 Q C -2.334 173.762 176.000 0.161 0.000 1.068 95 Q CA -2.131 53.762 55.803 0.149 0.000 0.816 95 Q CB 4.386 33.186 28.738 0.104 0.000 1.387 95 Q HN 0.297 8.651 8.270 0.140 0.000 0.413 96 Y N 3.615 123.960 120.300 0.075 0.000 2.313 96 Y HA 0.586 5.324 4.550 0.032 -0.169 0.332 96 Y C -2.318 173.638 175.900 0.094 0.000 1.071 96 Y CA -1.483 56.651 58.100 0.057 0.000 1.169 96 Y CB 2.132 40.612 38.460 0.032 0.000 1.192 96 Y HN 0.841 9.174 8.280 0.279 0.115 0.487 97 V N 8.034 127.595 119.914 -0.588 0.000 2.407 97 V HA 0.315 4.217 4.120 -0.363 0.000 0.291 97 V C -0.928 174.777 176.094 -0.649 0.000 1.018 97 V CA -1.280 60.747 62.300 -0.456 0.000 0.842 97 V CB 2.863 34.592 31.823 -0.156 0.000 0.996 97 V HN 0.544 8.463 8.190 -0.452 0.000 0.426 98 G N 4.584 113.048 108.800 -0.560 0.000 2.537 98 G HA2 0.473 4.293 3.960 -0.233 0.000 0.297 98 G HA3 0.473 4.372 3.960 -0.101 0.000 0.297 98 G C -0.764 174.091 174.900 -0.075 0.000 1.310 98 G CA -1.257 43.691 45.100 -0.254 0.000 1.027 98 G HN 0.249 8.287 8.290 -0.419 0.000 0.505 99 G N -2.032 106.770 108.800 0.003 0.000 2.278 99 G HA2 -0.182 3.787 3.960 0.016 0.000 0.265 99 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.265 99 G C -1.039 173.873 174.900 0.020 0.000 1.329 99 G CA -0.483 44.623 45.100 0.010 0.000 1.017 99 G HN -0.136 8.181 8.290 0.044 0.000 0.472 100 A N -0.434 122.396 122.820 0.016 0.000 1.929 100 A HA 0.001 4.329 4.320 0.012 0.000 0.216 100 A C 0.451 178.044 177.584 0.016 0.000 1.176 100 A CA 1.168 53.214 52.037 0.015 0.000 0.628 100 A CB 0.261 19.269 19.000 0.014 0.000 0.816 100 A HN 0.096 8.255 8.150 0.014 0.000 0.444 101 E N -0.452 119.763 120.200 0.025 0.000 2.173 101 E HA 0.110 4.478 4.350 0.029 0.000 0.249 101 E C -2.023 174.610 176.600 0.054 0.000 0.923 101 E CA -1.026 55.397 56.400 0.038 0.000 0.754 101 E CB 0.109 29.838 29.700 0.047 0.000 1.177 101 E HN -0.054 8.319 8.360 0.023 0.000 0.430 102 A N 5.128 127.990 122.820 0.069 0.000 2.363 102 A HA 0.258 4.768 4.320 0.048 -0.161 0.270 102 A C -0.925 176.845 177.584 0.310 0.000 1.121 102 A CA -0.385 51.738 52.037 0.144 0.000 0.800 102 A CB 1.793 20.948 19.000 0.259 0.000 1.052 102 A HN 0.246 8.416 8.150 0.034 0.000 0.493 103 R N -1.049 119.629 120.500 0.297 0.000 2.808 103 R HA 0.899 5.783 4.340 0.611 -0.177 0.272 103 R C -1.744 174.712 176.300 0.260 0.000 0.995 103 R CA -2.792 53.535 56.100 0.377 0.000 0.917 103 R CB 4.741 35.163 30.300 0.204 0.000 1.217 103 R HN 0.215 8.547 8.270 0.104 0.000 0.471 104 I N 0.718 121.424 120.570 0.228 0.000 2.410 104 I HA 0.449 4.899 4.170 0.128 -0.204 0.286 104 I C -1.646 174.633 176.117 0.270 0.000 1.009 104 I CA -1.135 60.244 61.300 0.132 0.000 1.111 104 I CB 2.763 40.692 38.000 -0.117 0.000 1.262 104 I HN 0.260 8.674 8.210 0.339 0.000 0.443 105 N N 9.362 128.186 118.700 0.208 0.000 2.408 105 N HA 0.577 5.451 4.740 0.223 0.000 0.280 105 N C -0.749 174.892 175.510 0.218 0.000 1.002 105 N CA -0.804 52.365 53.050 0.198 0.000 0.907 105 N CB 2.349 40.908 38.487 0.121 0.000 1.161 105 N HN 0.560 9.039 8.380 0.164 0.000 0.488 106 T N -0.178 114.540 114.554 0.274 0.000 2.865 106 T HA 0.695 5.280 4.350 0.184 -0.125 0.294 106 T C -1.214 173.627 174.700 0.234 0.000 1.119 106 T CA -1.926 60.334 62.100 0.267 0.000 1.007 106 T CB 3.282 72.390 68.868 0.399 0.000 1.225 106 T HN 0.924 9.342 8.240 0.296 0.000 0.515 107 Q N -0.247 119.639 119.800 0.143 0.000 2.372 107 Q HA 0.765 5.243 4.340 -0.041 -0.163 0.273 107 Q C -1.650 174.336 176.000 -0.024 0.000 1.078 107 Q CA -0.939 54.862 55.803 -0.004 0.000 0.806 107 Q CB 4.802 33.506 28.738 -0.057 0.000 1.332 107 Q HN 0.423 8.766 8.270 0.122 0.000 0.435 108 W N -0.575 120.618 121.300 -0.180 0.000 2.962 108 W HA 0.988 5.540 4.660 -0.442 -0.156 0.341 108 W C -3.021 173.298 176.519 -0.334 0.000 1.155 108 W CA -2.944 54.148 57.345 -0.422 0.000 1.165 108 W CB 3.571 32.520 29.460 -0.851 0.000 1.435 108 W HN 0.862 8.681 8.180 -0.601 0.000 0.546 109 L N -0.054 121.171 121.223 0.003 0.000 2.381 109 L HA 0.818 5.376 4.340 0.002 -0.217 0.274 109 L C -1.782 175.108 176.870 0.033 0.000 0.988 109 L CA -1.342 53.501 54.840 0.004 0.000 0.824 109 L CB 2.921 44.938 42.059 -0.070 0.000 1.263 109 L HN 0.305 8.456 8.230 -0.132 0.000 0.410 110 L N 5.396 126.690 121.223 0.119 0.000 2.316 110 L HA 0.642 5.118 4.340 -0.044 -0.162 0.280 110 L C -1.734 175.144 176.870 0.013 0.000 1.006 110 L CA -1.423 53.434 54.840 0.028 0.000 0.836 110 L CB 2.848 44.922 42.059 0.025 0.000 1.221 110 L HN 0.910 9.133 8.230 0.164 0.106 0.418 111 T N 9.584 124.136 114.554 -0.003 0.000 2.824 111 T HA 0.720 5.286 4.350 -0.021 -0.229 0.280 111 T C -0.637 174.069 174.700 0.010 0.000 0.995 111 T CA -0.780 61.314 62.100 -0.009 0.000 1.009 111 T CB 1.792 70.650 68.868 -0.016 0.000 0.955 111 T HN 0.803 9.038 8.240 -0.009 0.000 0.452 112 S N 5.438 121.134 115.700 -0.007 0.000 2.593 112 S HA 0.420 5.053 4.470 0.045 -0.136 0.297 112 S C -0.194 174.407 174.600 0.002 0.000 1.112 112 S CA -0.599 57.606 58.200 0.008 0.000 1.043 112 S CB 2.714 65.902 63.200 -0.020 0.000 1.054 112 S HN 0.202 8.494 8.310 -0.030 0.000 0.516 113 G N 2.156 110.971 108.800 0.025 0.000 2.432 113 G HA2 0.029 3.986 3.960 -0.005 0.000 0.257 113 G HA3 0.029 3.990 3.960 0.001 0.000 0.257 113 G C -1.101 173.781 174.900 -0.030 0.000 1.238 113 G CA 0.243 45.342 45.100 -0.002 0.000 0.838 113 G HN 0.148 8.476 8.290 0.064 0.000 0.547 114 T N -1.723 112.808 114.554 -0.038 0.000 2.787 114 T HA 0.105 4.425 4.350 -0.050 0.000 0.297 114 T C -0.915 173.766 174.700 -0.033 0.000 1.221 114 T CA -1.518 60.554 62.100 -0.046 0.000 1.006 114 T CB 2.476 71.303 68.868 -0.067 0.000 1.328 114 T HN -0.421 7.800 8.240 -0.031 0.000 0.509 115 T N -2.629 111.910 114.554 -0.026 0.000 2.849 115 T HA 0.130 4.473 4.350 -0.012 0.000 0.284 115 T C 0.878 175.583 174.700 0.009 0.000 1.004 115 T CA -1.082 61.013 62.100 -0.008 0.000 1.021 115 T CB 1.044 69.912 68.868 0.001 0.000 1.013 115 T HN -0.172 8.049 8.240 -0.031 0.000 0.527 116 E N 1.426 121.638 120.200 0.019 0.000 2.160 116 E HA -0.434 3.936 4.350 0.032 0.000 0.195 116 E C 2.084 178.727 176.600 0.071 0.000 0.991 116 E CA 2.856 59.278 56.400 0.036 0.000 0.810 116 E CB -0.291 29.428 29.700 0.031 0.000 0.742 116 E HN 0.457 8.825 8.360 0.013 0.000 0.466 117 A N -0.274 122.589 122.820 0.072 0.000 1.865 117 A HA -0.165 4.229 4.320 0.125 0.000 0.217 117 A C 1.234 178.946 177.584 0.213 0.000 1.191 117 A CA 2.454 54.563 52.037 0.120 0.000 0.623 117 A CB -0.522 18.532 19.000 0.088 0.000 0.826 117 A HN 0.011 8.164 8.150 0.048 0.026 0.444 118 N N -2.647 116.114 118.700 0.102 0.000 2.314 118 N HA 0.089 4.857 4.740 0.047 0.000 0.200 118 N C 0.480 175.877 175.510 -0.188 0.000 1.135 118 N CA 0.190 53.218 53.050 -0.037 0.000 0.835 118 N CB 0.192 38.613 38.487 -0.110 0.000 0.989 118 N HN -0.654 7.758 8.380 0.054 0.000 0.478 119 A N 1.460 124.274 122.820 -0.011 0.000 1.978 119 A HA -0.127 4.149 4.320 -0.073 0.000 0.220 119 A C 1.826 179.388 177.584 -0.037 0.000 1.170 119 A CA 2.905 54.927 52.037 -0.026 0.000 0.636 119 A CB -0.487 18.538 19.000 0.042 0.000 0.810 119 A HN -0.530 7.478 8.150 0.083 0.192 0.448 120 W N -4.517 116.779 121.300 -0.007 0.000 2.331 120 W HA -0.254 4.400 4.660 -0.010 0.000 0.291 120 W C -0.194 176.320 176.519 -0.009 0.000 1.214 120 W CA 1.102 58.441 57.345 -0.009 0.000 1.228 120 W CB -1.004 28.451 29.460 -0.009 0.000 1.135 120 W HN -0.139 8.224 8.180 0.333 0.017 0.537 121 K N -1.763 118.068 120.400 -0.947 0.000 2.681 121 K HA 0.354 4.339 4.320 -0.559 0.000 0.211 121 K C 0.272 176.611 176.600 -0.435 0.000 1.075 121 K CA -0.413 55.355 56.287 -0.865 0.000 1.141 121 K CB -0.605 30.981 32.500 -1.524 0.000 0.896 121 K HN -0.646 6.731 8.250 -1.237 0.132 0.470 122 S N -0.751 114.787 115.700 -0.269 0.000 2.496 122 S HA -0.003 4.367 4.470 -0.166 0.000 0.224 122 S C -0.883 173.656 174.600 -0.101 0.000 0.996 122 S CA 1.496 59.603 58.200 -0.156 0.000 0.927 122 S CB 0.548 63.689 63.200 -0.099 0.000 0.774 122 S HN -0.179 7.844 8.310 -0.231 0.149 0.524 123 T N 4.107 118.607 114.554 -0.091 0.000 2.792 123 T HA 0.651 5.214 4.350 -0.037 -0.235 0.280 123 T C -0.720 173.951 174.700 -0.048 0.000 0.990 123 T CA 0.288 62.356 62.100 -0.053 0.000 0.960 123 T CB 1.994 70.837 68.868 -0.043 0.000 0.939 123 T HN -0.723 7.452 8.240 -0.108 0.000 0.439 124 L N 7.172 128.391 121.223 -0.007 0.000 2.334 124 L HA 0.368 4.681 4.340 -0.045 0.000 0.275 124 L C -1.722 175.110 176.870 -0.063 0.000 1.036 124 L CA -0.945 53.899 54.840 0.007 0.000 0.807 124 L CB 2.349 44.486 42.059 0.131 0.000 1.231 124 L HN 0.833 9.075 8.230 0.020 0.000 0.438 125 V N 1.166 120.908 119.914 -0.286 0.000 2.876 125 V HA 1.002 4.995 4.120 -0.589 -0.226 0.312 125 V C -1.099 174.331 176.094 -1.106 0.000 1.085 125 V CA -2.891 59.061 62.300 -0.581 0.000 0.945 125 V CB 3.307 34.940 31.823 -0.318 0.000 1.017 125 V HN -0.025 8.021 8.190 -0.240 0.000 0.428 126 G N 4.446 112.172 108.800 -1.789 0.000 2.634 126 G HA2 0.268 3.687 3.960 -0.903 0.000 0.309 126 G HA3 0.268 2.931 3.960 -2.162 0.000 0.309 126 G C -3.309 170.826 174.900 -1.274 0.000 1.299 126 G CA 0.296 44.399 45.100 -1.661 0.000 0.798 126 G HN 0.034 7.295 8.290 -1.715 0.000 0.490 127 H N -4.015 114.747 119.070 -0.512 0.000 2.961 127 H HA 0.617 5.176 4.556 -0.146 -0.091 0.371 127 H C -1.706 173.756 175.328 0.223 0.000 1.190 127 H CA -1.600 54.375 56.048 -0.122 0.000 1.138 127 H CB 3.485 33.197 29.762 -0.083 0.000 1.816 127 H HN 0.051 7.678 8.280 -1.089 0.000 0.551 128 D N 0.072 120.718 120.400 0.409 0.000 2.756 128 D HA 0.346 5.209 4.640 0.158 -0.129 0.226 128 D C -1.653 174.711 176.300 0.107 0.000 1.186 128 D CA -0.131 54.008 54.000 0.230 0.000 0.845 128 D CB 4.981 45.901 40.800 0.199 0.000 1.610 128 D HN 0.358 8.874 8.370 0.428 0.111 0.465 129 T N 3.499 118.009 114.554 -0.073 0.000 2.861 129 T HA 0.882 5.538 4.350 0.178 -0.199 0.287 129 T C -1.184 173.431 174.700 -0.142 0.000 1.003 129 T CA -0.476 61.644 62.100 0.033 0.000 0.977 129 T CB 2.416 71.345 68.868 0.102 0.000 0.996 129 T HN 0.282 8.744 8.240 -0.131 -0.301 0.448 130 F N 5.155 125.210 119.950 0.175 0.000 2.508 130 F HA 0.711 5.545 4.527 0.167 -0.207 0.325 130 F C -0.072 175.886 175.800 0.264 0.000 1.090 130 F CA -1.636 56.481 58.000 0.195 0.000 0.945 130 F CB 3.802 42.908 39.000 0.177 0.000 1.156 130 F HN 0.915 9.476 8.300 0.435 0.000 0.463 131 T N 3.909 118.575 114.554 0.187 0.000 2.829 131 T HA 0.459 5.076 4.350 0.212 -0.140 0.280 131 T C -1.255 173.215 174.700 -0.383 0.000 0.999 131 T CA -0.548 61.512 62.100 -0.066 0.000 0.983 131 T CB 2.416 71.144 68.868 -0.234 0.000 0.968 131 T HN 0.672 8.867 8.240 -0.075 0.000 0.446 132 K N 5.963 126.074 120.400 -0.481 0.000 2.144 132 K HA 0.187 3.918 4.320 -1.181 -0.120 0.270 132 K C -1.414 174.909 176.600 -0.462 0.000 1.005 132 K CA 0.206 55.887 56.287 -1.011 0.000 0.932 132 K CB 1.414 32.980 32.500 -1.556 0.000 1.021 132 K HN -0.237 7.854 8.250 -0.266 0.000 0.462 133 V N 3.371 123.072 119.914 -0.355 0.000 3.134 133 V HA 0.275 4.392 4.120 -0.005 0.000 0.222 133 V C -0.642 175.357 176.094 -0.157 0.000 1.247 133 V CA -0.150 62.110 62.300 -0.068 0.000 1.281 133 V CB 2.184 34.111 31.823 0.174 0.000 1.169 133 V HN 0.633 8.512 8.190 -0.520 0.000 0.512 134 K N 0.327 120.608 120.400 -0.198 0.000 2.185 134 K HA 0.550 4.784 4.320 -0.144 0.000 0.240 134 K C -2.076 174.375 176.600 -0.248 0.000 0.983 134 K CA -3.155 53.025 56.287 -0.178 0.000 0.873 134 K CB 0.381 32.806 32.500 -0.125 0.000 1.118 134 K HN -0.521 7.603 8.250 -0.210 0.000 0.441 135 P HA 0.000 4.457 4.420 -0.209 -0.162 0.216 135 P CA 0.000 62.997 63.100 -0.172 0.000 0.800 135 P CB 0.000 31.621 31.700 -0.131 0.000 0.726