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 2izi_1_A DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK VK 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 4.282 4.320 -0.063 0.000 0.244 13 A C 0.000 177.508 177.584 -0.127 0.000 1.274 13 A CA 0.000 52.058 52.037 0.034 0.000 0.836 13 A CB 0.000 19.141 19.000 0.235 0.000 0.831 14 E N -0.063 120.065 120.200 -0.121 0.000 3.625 14 E HA -0.557 3.632 4.350 -0.269 0.000 0.476 14 E C 1.701 178.187 176.600 -0.191 0.000 1.675 14 E CA 2.867 59.186 56.400 -0.134 0.000 1.355 14 E CB -0.812 28.944 29.700 0.094 0.000 1.246 14 E HN 0.520 8.943 8.360 0.104 0.000 0.386 15 A N 2.068 124.837 122.820 -0.085 0.000 1.900 15 A HA -0.408 3.867 4.320 -0.076 0.000 0.225 15 A C 1.882 179.395 177.584 -0.118 0.000 1.414 15 A CA 2.747 54.736 52.037 -0.079 0.000 0.702 15 A CB -0.815 18.168 19.000 -0.029 0.000 0.845 15 A HN 0.412 8.544 8.150 -0.030 0.000 0.478 16 G N -3.112 105.618 108.800 -0.117 0.000 2.479 16 G HA2 -0.254 3.699 3.960 -0.012 0.000 0.220 16 G HA3 -0.254 3.700 3.960 -0.009 0.000 0.220 16 G C 1.808 176.565 174.900 -0.237 0.000 1.115 16 G CA 1.175 46.213 45.100 -0.104 0.000 0.757 16 G HN -0.472 7.769 8.290 -0.082 0.000 0.560 17 I N 1.595 121.893 120.570 -0.454 0.000 2.400 17 I HA -0.245 3.775 4.170 -0.250 0.000 0.248 17 I C -0.063 176.003 176.117 -0.085 0.000 1.109 17 I CA 2.537 63.611 61.300 -0.376 0.000 1.425 17 I CB 0.401 38.014 38.000 -0.645 0.000 1.094 17 I HN -0.186 7.701 8.210 -0.470 0.041 0.425 18 T N 1.074 115.519 114.554 -0.181 0.000 2.923 18 T HA -0.487 3.935 4.350 -0.171 -0.174 0.304 18 T C -0.069 174.540 174.700 -0.151 0.000 1.044 18 T CA 3.536 65.544 62.100 -0.153 0.000 1.141 18 T CB -0.022 68.758 68.868 -0.148 0.000 1.023 18 T HN -0.818 7.277 8.240 -0.243 0.000 0.533 19 G N 5.580 114.262 108.800 -0.198 0.000 2.293 19 G HA2 -0.154 3.657 3.960 -0.247 0.000 0.282 19 G HA3 -0.154 3.579 3.960 -0.378 0.000 0.282 19 G C -2.861 171.805 174.900 -0.391 0.000 1.299 19 G CA -0.297 44.623 45.100 -0.301 0.000 1.018 19 G HN 0.401 8.575 8.290 -0.194 0.000 0.478 20 T N 2.865 117.116 114.554 -0.505 0.000 2.771 20 T HA 0.651 4.860 4.350 -0.516 -0.169 0.281 20 T C -0.795 173.409 174.700 -0.826 0.000 0.982 20 T CA 0.332 62.085 62.100 -0.578 0.000 0.978 20 T CB 1.202 69.806 68.868 -0.441 0.000 0.930 20 T HN 0.089 8.041 8.240 -0.480 0.000 0.447 21 W N 5.053 125.859 121.300 -0.824 0.000 2.882 21 W HA 0.527 5.152 4.660 -0.292 -0.140 0.345 21 W C -1.762 174.447 176.519 -0.516 0.000 1.125 21 W CA -1.434 55.603 57.345 -0.514 0.000 1.167 21 W CB 3.735 32.963 29.460 -0.388 0.000 1.431 21 W HN 0.993 8.713 8.180 -0.586 0.108 0.543 22 Y N -2.844 117.710 120.300 0.424 0.000 2.477 22 Y HA 0.864 5.809 4.550 0.289 -0.221 0.347 22 Y C -0.832 175.248 175.900 0.300 0.000 0.981 22 Y CA -2.006 56.276 58.100 0.304 0.000 1.033 22 Y CB 3.312 41.854 38.460 0.137 0.000 1.245 22 Y HN 1.082 9.711 8.280 0.582 0.000 0.455 23 N N 0.694 119.550 118.700 0.259 0.000 2.525 23 N HA 0.709 5.590 4.740 -0.089 -0.195 0.288 23 N C 1.918 177.452 175.510 0.039 0.000 1.242 23 N CA -2.931 50.062 53.050 -0.096 0.000 0.905 23 N CB 2.043 40.180 38.487 -0.584 0.000 1.258 23 N HN -0.163 8.394 8.380 0.295 0.000 0.551 24 Q N -0.302 119.501 119.800 0.005 0.000 2.508 24 Q HA -0.140 4.235 4.340 0.060 0.000 0.214 24 Q C 0.052 176.086 176.000 0.057 0.000 0.979 24 Q CA 2.018 57.849 55.803 0.047 0.000 0.911 24 Q CB -0.967 27.801 28.738 0.050 0.000 0.969 24 Q HN 0.254 8.490 8.270 -0.056 0.000 0.504 25 L N -3.002 118.261 121.223 0.067 0.000 2.554 25 L HA 0.210 4.587 4.340 0.062 0.000 0.225 25 L C 0.684 177.607 176.870 0.088 0.000 1.104 25 L CA -0.120 54.766 54.840 0.077 0.000 0.866 25 L CB 0.769 42.884 42.059 0.094 0.000 1.047 25 L HN -0.314 8.150 8.230 0.059 -0.198 0.468 26 G N -2.090 106.776 108.800 0.110 0.000 2.134 26 G HA2 -0.323 3.717 3.960 0.135 0.000 0.209 26 G HA3 -0.323 3.693 3.960 0.093 0.000 0.209 26 G C -0.431 174.566 174.900 0.161 0.000 0.993 26 G CA -0.251 44.923 45.100 0.125 0.000 0.669 26 G HN -0.172 8.133 8.290 0.113 0.052 0.519 27 S N 1.074 116.881 115.700 0.177 0.000 2.632 27 S HA 0.426 5.058 4.470 0.133 -0.082 0.271 27 S C -1.009 173.648 174.600 0.096 0.000 1.260 27 S CA 1.200 59.487 58.200 0.145 0.000 1.010 27 S CB 2.029 65.377 63.200 0.247 0.000 0.965 27 S HN -0.139 8.590 8.310 0.175 -0.314 0.534 28 T N 3.307 117.809 114.554 -0.087 0.000 2.876 28 T HA 0.904 5.362 4.350 -0.153 -0.199 0.289 28 T C -1.756 172.733 174.700 -0.351 0.000 1.014 28 T CA -0.591 61.410 62.100 -0.166 0.000 0.986 28 T CB 2.650 71.462 68.868 -0.094 0.000 1.021 28 T HN 0.357 8.513 8.240 -0.140 0.000 0.458 29 F N 6.408 126.067 119.950 -0.485 0.000 2.557 29 F HA 0.886 5.288 4.527 -0.510 -0.181 0.316 29 F C -3.322 172.274 175.800 -0.341 0.000 1.141 29 F CA -2.521 55.167 58.000 -0.518 0.000 0.922 29 F CB 3.690 42.281 39.000 -0.683 0.000 1.194 29 F HN 0.677 8.806 8.300 -0.285 0.000 0.443 30 I N 7.184 127.608 120.570 -0.243 0.000 2.406 30 I HA 0.798 4.946 4.170 -0.403 -0.220 0.290 30 I C -1.487 174.483 176.117 -0.244 0.000 0.999 30 I CA -1.469 59.655 61.300 -0.295 0.000 1.124 30 I CB 2.297 40.188 38.000 -0.183 0.000 1.289 30 I HN 0.447 8.607 8.210 -0.085 0.000 0.441 31 V N 3.956 123.682 119.914 -0.313 0.000 3.130 31 V HA 0.975 5.208 4.120 -0.148 -0.202 0.310 31 V C -1.135 174.852 176.094 -0.179 0.000 1.158 31 V CA -2.825 59.342 62.300 -0.221 0.000 1.029 31 V CB 3.591 35.258 31.823 -0.259 0.000 1.057 31 V HN 0.954 8.928 8.190 -0.359 0.000 0.436 32 T N 4.053 118.527 114.554 -0.133 0.000 2.879 32 T HA 0.360 4.635 4.350 -0.126 0.000 0.290 32 T C -1.726 172.916 174.700 -0.098 0.000 0.993 32 T CA -0.289 61.746 62.100 -0.108 0.000 0.975 32 T CB 2.215 71.042 68.868 -0.068 0.000 0.981 32 T HN 0.484 8.657 8.240 -0.112 0.000 0.439 33 A N 7.210 129.948 122.820 -0.137 0.000 2.292 33 A HA 0.859 5.332 4.320 -0.049 -0.182 0.319 33 A C -0.995 176.606 177.584 0.029 0.000 1.206 33 A CA -2.293 49.659 52.037 -0.142 0.000 0.835 33 A CB 1.897 20.583 19.000 -0.524 0.000 1.164 33 A HN 0.778 8.837 8.150 -0.153 0.000 0.505 34 G N 0.267 109.173 108.800 0.177 0.000 2.434 34 G HA2 0.309 4.310 3.960 0.069 0.000 0.330 34 G HA3 0.309 4.326 3.960 0.096 0.000 0.330 34 G C -0.005 175.001 174.900 0.176 0.000 1.155 34 G CA -1.480 43.696 45.100 0.126 0.000 0.917 34 G HN 0.587 8.934 8.290 0.279 0.110 0.493 35 A N 1.838 124.717 122.820 0.098 0.000 1.929 35 A HA -0.280 4.212 4.320 0.098 -0.114 0.221 35 A C 0.556 178.166 177.584 0.043 0.000 1.211 35 A CA 2.598 54.682 52.037 0.077 0.000 0.657 35 A CB -0.422 18.601 19.000 0.037 0.000 0.827 35 A HN 0.591 8.780 8.150 0.065 0.000 0.462 36 D N -2.644 117.760 120.400 0.007 0.000 3.071 36 D HA -0.004 4.589 4.640 -0.078 0.000 0.259 36 D C -0.150 176.053 176.300 -0.161 0.000 1.331 36 D CA -0.243 53.719 54.000 -0.065 0.000 0.861 36 D CB -1.080 39.697 40.800 -0.038 0.000 1.059 36 D HN -0.239 8.135 8.370 0.024 0.011 0.486 37 G N -1.468 107.120 108.800 -0.352 0.000 2.179 37 G HA2 -0.465 2.591 3.960 -1.832 0.000 0.260 37 G HA3 -0.465 3.200 3.960 -0.491 0.000 0.260 37 G C -1.668 173.121 174.900 -0.185 0.000 0.977 37 G CA 0.536 45.219 45.100 -0.694 0.000 0.641 37 G HN -0.371 7.681 8.290 -0.287 0.066 0.533 38 A N -0.209 122.650 122.820 0.064 0.000 2.302 38 A HA 0.479 4.989 4.320 0.103 -0.128 0.285 38 A C -1.570 176.155 177.584 0.235 0.000 1.105 38 A CA -1.219 50.898 52.037 0.134 0.000 0.816 38 A CB 2.223 21.268 19.000 0.075 0.000 1.067 38 A HN -0.647 7.487 8.150 0.059 0.051 0.489 39 L N 1.173 122.494 121.223 0.164 0.000 2.385 39 L HA 0.988 5.573 4.340 0.057 -0.211 0.273 39 L C -0.360 176.535 176.870 0.041 0.000 0.990 39 L CA -1.448 53.449 54.840 0.094 0.000 0.821 39 L CB 3.349 45.467 42.059 0.099 0.000 1.279 39 L HN 0.104 8.415 8.230 0.135 0.000 0.412 40 T N -1.930 112.622 114.554 -0.004 0.000 2.900 40 T HA 0.726 5.222 4.350 0.002 -0.145 0.303 40 T C -0.893 173.783 174.700 -0.041 0.000 1.142 40 T CA -2.090 60.003 62.100 -0.011 0.000 1.007 40 T CB 3.464 72.332 68.868 -0.000 0.000 1.156 40 T HN 0.454 8.678 8.240 -0.027 0.000 0.490 41 G N -0.226 108.555 108.800 -0.032 0.000 2.360 41 G HA2 0.267 4.200 3.960 -0.045 0.000 0.276 41 G HA3 0.267 4.411 3.960 -0.060 -0.220 0.276 41 G C -2.783 172.114 174.900 -0.006 0.000 1.256 41 G CA 1.070 46.146 45.100 -0.039 0.000 0.890 41 G HN -0.395 7.886 8.290 -0.015 0.000 0.486 42 T N -2.505 112.055 114.554 0.009 0.000 2.896 42 T HA 0.973 5.537 4.350 0.082 -0.165 0.297 42 T C -2.506 172.267 174.700 0.121 0.000 1.108 42 T CA -2.215 59.924 62.100 0.065 0.000 1.004 42 T CB 3.621 72.516 68.868 0.046 0.000 1.159 42 T HN 0.134 8.364 8.240 -0.017 0.000 0.499 43 Y N 1.335 121.684 120.300 0.082 0.000 2.442 43 Y HA 0.626 5.412 4.550 0.121 -0.163 0.344 43 Y C -2.587 173.486 175.900 0.288 0.000 0.976 43 Y CA -1.821 56.358 58.100 0.131 0.000 1.040 43 Y CB 4.679 43.160 38.460 0.036 0.000 1.228 43 Y HN 0.909 9.251 8.280 0.289 0.112 0.451 44 E N 7.929 128.243 120.200 0.190 0.000 2.235 44 E HA 0.540 5.374 4.350 0.530 -0.166 0.252 44 E C -1.943 174.858 176.600 0.334 0.000 0.886 44 E CA -1.692 54.904 56.400 0.327 0.000 0.767 44 E CB 3.606 33.397 29.700 0.152 0.000 1.205 44 E HN 0.792 8.982 8.360 -0.284 0.000 0.421 45 S N 7.812 123.843 115.700 0.552 0.000 2.545 45 S HA 0.017 4.803 4.470 0.526 0.000 0.275 45 S C -0.088 174.632 174.600 0.201 0.000 1.299 45 S CA -0.372 58.079 58.200 0.417 0.000 1.048 45 S CB 1.090 64.409 63.200 0.198 0.000 0.938 45 S HN 0.664 9.376 8.310 0.670 0.000 0.496 46 A N 7.323 130.236 122.820 0.155 0.000 2.132 46 A HA 0.073 4.448 4.320 0.093 0.000 0.213 46 A C -0.199 177.410 177.584 0.042 0.000 1.154 46 A CA 0.998 53.091 52.037 0.093 0.000 0.753 46 A CB 0.675 19.731 19.000 0.093 0.000 0.826 46 A HN 0.537 8.803 8.150 0.193 0.000 0.469 47 V N -5.883 114.036 119.914 0.008 0.000 3.126 47 V HA 0.579 4.678 4.120 -0.035 0.000 0.314 47 V C -0.274 175.730 176.094 -0.149 0.000 1.138 47 V CA -1.757 60.511 62.300 -0.053 0.000 1.034 47 V CB 1.958 33.754 31.823 -0.045 0.000 1.075 47 V HN -0.380 7.787 8.190 0.027 0.039 0.442 48 G N 0.763 109.470 108.800 -0.154 0.000 2.728 48 G HA2 -0.321 3.522 3.960 -0.196 0.000 0.294 48 G HA3 -0.321 3.418 3.960 -0.368 0.000 0.294 48 G C -1.298 173.489 174.900 -0.189 0.000 1.342 48 G CA -0.424 44.535 45.100 -0.234 0.000 0.866 48 G HN 0.366 8.592 8.290 -0.105 0.000 0.534 49 N N 2.535 121.099 118.700 -0.225 0.000 2.968 49 N HA 0.020 4.718 4.740 -0.070 0.000 0.271 49 N C -1.809 173.632 175.510 -0.115 0.000 1.174 49 N CA -0.840 52.132 53.050 -0.130 0.000 1.096 49 N CB -1.314 37.102 38.487 -0.118 0.000 1.403 49 N HN 0.054 8.257 8.380 -0.294 0.000 0.522 50 A N 1.244 124.043 122.820 -0.035 0.000 2.594 50 A HA 0.339 4.857 4.320 0.330 0.000 0.295 50 A C -2.135 175.608 177.584 0.264 0.000 1.071 50 A CA -0.755 51.379 52.037 0.160 0.000 0.685 50 A CB 3.106 22.056 19.000 -0.083 0.000 1.285 50 A HN -0.353 7.742 8.150 -0.033 0.035 0.405 51 E N 2.680 123.146 120.200 0.444 0.000 2.291 51 E HA 0.273 4.711 4.350 0.146 0.000 0.276 51 E C -0.977 175.732 176.600 0.182 0.000 0.896 51 E CA -0.330 56.195 56.400 0.209 0.000 0.774 51 E CB 3.203 32.946 29.700 0.071 0.000 1.227 51 E HN 0.567 9.391 8.360 0.774 0.000 0.413 52 S N 2.126 117.882 115.700 0.093 0.000 3.613 52 S HA -0.420 4.186 4.470 0.027 -0.120 0.631 52 S C -1.739 172.959 174.600 0.163 0.000 2.436 52 S CA 1.819 60.052 58.200 0.055 0.000 3.105 52 S CB 0.228 63.402 63.200 -0.042 0.000 0.305 52 S HN 0.298 8.655 8.310 0.078 0.000 1.433 53 R N -0.733 119.809 120.500 0.069 0.000 2.540 53 R HA 0.405 5.106 4.340 0.283 -0.191 0.287 53 R C -0.769 175.463 176.300 -0.114 0.000 0.980 53 R CA -0.475 55.686 56.100 0.102 0.000 0.966 53 R CB 1.473 31.817 30.300 0.072 0.000 1.106 53 R HN -0.185 8.120 8.270 0.059 0.000 0.480 54 Y N -1.122 119.269 120.300 0.152 0.000 2.536 54 Y HA 0.204 4.793 4.550 0.066 0.000 0.347 54 Y C -0.615 175.298 175.900 0.022 0.000 1.000 54 Y CA -1.156 56.984 58.100 0.067 0.000 1.051 54 Y CB 3.059 41.504 38.460 -0.025 0.000 1.259 54 Y HN 0.542 8.970 8.280 0.423 0.105 0.468 55 V N 1.366 121.346 119.914 0.109 0.000 2.775 55 V HA 0.015 4.290 4.120 0.049 -0.125 0.299 55 V C -0.570 175.549 176.094 0.041 0.000 1.062 55 V CA 1.284 63.616 62.300 0.054 0.000 1.063 55 V CB 0.506 32.345 31.823 0.026 0.000 0.994 55 V HN 0.719 8.971 8.190 0.103 0.000 0.483 56 L N 1.082 122.326 121.223 0.035 0.000 2.393 56 L HA 1.088 5.634 4.340 0.053 -0.174 0.260 56 L C -1.531 175.366 176.870 0.044 0.000 1.002 56 L CA -1.412 53.456 54.840 0.047 0.000 0.818 56 L CB 4.218 46.291 42.059 0.023 0.000 1.369 56 L HN -0.092 8.155 8.230 0.028 0.000 0.412 57 T N 0.117 114.722 114.554 0.086 0.000 2.894 57 T HA 0.768 5.324 4.350 0.058 -0.172 0.309 57 T C -1.356 173.430 174.700 0.143 0.000 1.208 57 T CA -1.618 60.530 62.100 0.080 0.000 1.016 57 T CB 2.549 71.450 68.868 0.055 0.000 1.192 57 T HN -0.145 8.171 8.240 0.127 0.000 0.491 58 G N 1.923 110.809 108.800 0.143 0.000 2.490 58 G HA2 0.611 4.670 3.960 0.166 0.000 0.308 58 G HA3 0.611 4.884 3.960 0.284 -0.142 0.308 58 G C -2.965 172.033 174.900 0.165 0.000 1.286 58 G CA 0.700 45.915 45.100 0.192 0.000 0.825 58 G HN 0.032 8.389 8.290 0.111 0.000 0.479 59 R N -3.151 117.461 120.500 0.186 0.000 2.740 59 R HA 1.161 5.814 4.340 0.157 -0.219 0.273 59 R C -1.779 174.657 176.300 0.226 0.000 0.998 59 R CA -2.291 53.901 56.100 0.152 0.000 0.900 59 R CB 4.834 35.169 30.300 0.059 0.000 1.223 59 R HN 0.255 8.652 8.270 0.212 0.000 0.466 60 Y N -2.698 117.635 120.300 0.054 0.000 2.588 60 Y HA 0.596 5.321 4.550 0.074 -0.130 0.343 60 Y C -2.250 173.676 175.900 0.043 0.000 1.065 60 Y CA -2.567 55.566 58.100 0.056 0.000 1.038 60 Y CB 2.740 41.223 38.460 0.039 0.000 1.297 60 Y HN 0.701 8.818 8.280 -0.089 0.109 0.467 61 D N 0.731 121.155 120.400 0.040 0.000 2.338 61 D HA 0.087 4.653 4.640 -0.123 0.000 0.255 61 D C 0.291 176.555 176.300 -0.060 0.000 1.237 61 D CA -0.815 53.161 54.000 -0.041 0.000 0.883 61 D CB 0.496 41.337 40.800 0.068 0.000 1.087 61 D HN -0.052 8.450 8.370 0.221 0.000 0.485 62 S N 4.352 119.883 115.700 -0.280 0.000 2.527 62 S HA -0.144 4.404 4.470 0.131 0.000 0.222 62 S C -0.359 174.256 174.600 0.025 0.000 0.985 62 S CA 1.318 59.439 58.200 -0.132 0.000 0.921 62 S CB 0.300 63.330 63.200 -0.284 0.000 0.772 62 S HN 0.041 8.157 8.310 -0.323 0.000 0.529 63 A N 2.562 125.386 122.820 0.007 0.000 3.064 63 A HA 0.426 4.775 4.320 0.048 0.000 0.339 63 A C -3.005 174.609 177.584 0.050 0.000 1.078 63 A CA -3.076 48.980 52.037 0.032 0.000 0.869 63 A CB 0.104 19.110 19.000 0.010 0.000 1.067 63 A HN -0.638 7.602 8.150 -0.026 -0.106 0.480 64 P HA 0.050 4.747 4.420 0.083 -0.227 0.273 64 P C -0.908 176.433 177.300 0.069 0.000 1.250 64 P CA -0.575 62.579 63.100 0.091 0.000 0.793 64 P CB 1.217 32.997 31.700 0.133 0.000 1.011 65 A N -1.718 121.140 122.820 0.064 0.000 2.386 65 A HA -0.104 4.242 4.320 0.043 0.000 0.248 65 A C 0.228 177.843 177.584 0.052 0.000 1.082 65 A CA 0.444 52.511 52.037 0.050 0.000 0.789 65 A CB 0.840 19.866 19.000 0.044 0.000 1.025 65 A HN 0.104 8.296 8.150 0.070 0.000 0.490 66 T N -3.616 110.964 114.554 0.043 0.000 3.393 66 T HA -0.002 4.377 4.350 0.049 0.000 0.248 66 T C -0.880 173.842 174.700 0.037 0.000 0.992 66 T CA -0.400 61.725 62.100 0.041 0.000 0.929 66 T CB -0.610 68.279 68.868 0.035 0.000 1.065 66 T HN 0.016 8.332 8.240 0.037 -0.054 0.597 67 D N 0.377 120.800 120.400 0.038 0.000 2.712 67 D HA 0.117 4.680 4.640 0.029 0.095 0.252 67 D C 0.164 176.484 176.300 0.034 0.000 1.123 67 D CA -1.803 52.216 54.000 0.032 0.000 1.109 67 D CB 1.301 42.118 40.800 0.028 0.000 1.313 67 D HN -0.695 7.789 8.370 0.042 -0.088 0.629 68 G N -2.264 106.553 108.800 0.029 0.000 3.741 68 G HA2 0.089 4.067 3.960 0.030 0.000 0.263 68 G HA3 0.089 4.062 3.960 0.022 0.000 0.263 68 G C -0.761 174.155 174.900 0.027 0.000 1.175 68 G CA -0.379 44.737 45.100 0.027 0.000 1.642 68 G HN 0.050 8.355 8.290 0.025 0.000 0.644 69 S N 0.552 116.274 115.700 0.037 0.000 2.745 69 S HA 0.043 4.533 4.470 0.032 0.000 0.292 69 S C -0.427 174.203 174.600 0.049 0.000 1.133 69 S CA 0.069 58.293 58.200 0.040 0.000 0.998 69 S CB 2.397 65.624 63.200 0.045 0.000 1.087 69 S HN -0.608 7.725 8.310 0.042 0.003 0.551 70 G N -0.823 108.010 108.800 0.055 0.000 2.511 70 G HA2 0.323 4.377 3.960 0.047 0.000 0.316 70 G HA3 0.323 4.480 3.960 0.059 -0.161 0.316 70 G C -1.208 173.767 174.900 0.125 0.000 1.210 70 G CA -0.790 44.352 45.100 0.070 0.000 0.969 70 G HN -0.168 8.221 8.290 0.051 -0.068 0.492 71 T N 2.888 117.559 114.554 0.196 0.000 2.795 71 T HA 0.121 4.582 4.350 0.185 0.000 0.282 71 T C -1.296 173.531 174.700 0.212 0.000 0.980 71 T CA 0.406 62.644 62.100 0.230 0.000 1.012 71 T CB 1.215 70.281 68.868 0.329 0.000 0.936 71 T HN 0.225 8.597 8.240 0.220 0.000 0.457 72 A N 7.340 130.264 122.820 0.173 0.000 2.354 72 A HA 0.658 5.227 4.320 0.152 -0.157 0.269 72 A C -1.908 175.792 177.584 0.194 0.000 1.109 72 A CA -1.051 51.079 52.037 0.155 0.000 0.800 72 A CB 1.379 20.443 19.000 0.107 0.000 1.045 72 A HN 0.752 8.994 8.150 0.153 0.000 0.489 73 L N -4.733 116.607 121.223 0.196 0.000 2.720 73 L HA 1.073 5.699 4.340 0.233 -0.146 0.261 73 L C -1.617 175.378 176.870 0.209 0.000 1.046 73 L CA -1.503 53.481 54.840 0.240 0.000 0.886 73 L CB 3.871 46.107 42.059 0.295 0.000 1.493 73 L HN 0.369 8.702 8.230 0.172 0.000 0.407 74 G N -3.650 105.298 108.800 0.247 0.000 2.703 74 G HA2 0.752 4.903 3.960 0.041 0.000 0.294 74 G HA3 0.752 4.759 3.960 0.078 0.000 0.294 74 G C -3.442 171.633 174.900 0.292 0.000 1.451 74 G CA 0.733 45.924 45.100 0.151 0.000 0.869 74 G HN -0.045 8.419 8.290 0.290 0.000 0.516 75 W N -2.397 118.942 121.300 0.065 0.000 3.074 75 W HA 0.762 5.534 4.660 0.022 -0.099 0.332 75 W C -3.126 173.454 176.519 0.101 0.000 1.253 75 W CA -1.811 55.550 57.345 0.026 0.000 1.180 75 W CB 2.296 31.695 29.460 -0.101 0.000 1.445 75 W HN 0.546 8.576 8.180 -0.249 0.000 0.573 76 T N 0.847 115.544 114.554 0.239 0.000 2.906 76 T HA 0.923 5.504 4.350 0.052 -0.200 0.295 76 T C -1.625 173.142 174.700 0.111 0.000 1.061 76 T CA -0.625 61.540 62.100 0.109 0.000 1.000 76 T CB 3.319 72.202 68.868 0.024 0.000 1.103 76 T HN 0.471 8.889 8.240 0.297 0.000 0.486 77 V N 2.640 122.517 119.914 -0.063 0.000 2.733 77 V HA 0.310 4.445 4.120 -0.211 -0.142 0.306 77 V C -2.408 173.332 176.094 -0.590 0.000 1.084 77 V CA -1.175 60.916 62.300 -0.349 0.000 0.905 77 V CB 4.209 35.622 31.823 -0.684 0.000 1.010 77 V HN 0.766 8.890 8.190 -0.110 0.000 0.424 78 A N 4.720 127.274 122.820 -0.442 0.000 2.288 78 A HA 0.606 4.895 4.320 -0.279 -0.136 0.320 78 A C 0.042 177.418 177.584 -0.346 0.000 1.217 78 A CA -1.841 50.023 52.037 -0.287 0.000 0.840 78 A CB 1.715 20.670 19.000 -0.075 0.000 1.179 78 A HN 0.673 8.646 8.150 -0.295 0.000 0.504 79 W N 5.471 126.735 121.300 -0.059 0.000 1.564 79 W HA -0.101 4.275 4.660 -0.473 0.000 0.448 79 W C -1.426 175.163 176.519 0.116 0.000 0.601 79 W CA -1.219 56.021 57.345 -0.176 0.000 2.326 79 W CB -0.792 28.491 29.460 -0.295 0.000 1.355 79 W HN 0.824 8.963 8.180 -0.068 0.000 0.382 80 K N 1.307 121.964 120.400 0.428 0.000 2.507 80 K HA 0.607 5.294 4.320 0.310 -0.181 0.251 80 K C -1.795 174.965 176.600 0.267 0.000 0.943 80 K CA -1.065 55.413 56.287 0.317 0.000 0.794 80 K CB 2.877 35.470 32.500 0.155 0.000 1.188 80 K HN -0.294 8.092 8.250 0.375 0.089 0.428 81 N N 5.490 124.263 118.700 0.121 0.000 3.418 81 N HA 0.249 4.933 4.740 -0.093 0.000 0.316 81 N C -0.414 175.011 175.510 -0.141 0.000 1.601 81 N CA -1.103 51.872 53.050 -0.125 0.000 0.805 81 N CB 0.857 39.053 38.487 -0.486 0.000 1.873 81 N HN 0.697 9.178 8.380 0.168 0.000 0.615 82 N N -1.538 116.973 118.700 -0.315 0.000 2.515 82 N HA 0.015 4.608 4.740 -0.245 0.000 0.185 82 N C -0.403 174.815 175.510 -0.486 0.000 1.109 82 N CA 2.007 54.801 53.050 -0.427 0.000 0.903 82 N CB -0.037 38.098 38.487 -0.586 0.000 0.969 82 N HN 0.273 8.435 8.380 -0.363 0.000 0.450 83 Y N -1.793 118.490 120.300 -0.029 0.000 2.464 83 Y HA 0.053 4.605 4.550 0.003 0.000 0.288 83 Y C 0.061 175.981 175.900 0.034 0.000 1.133 83 Y CA 1.620 59.721 58.100 0.002 0.000 1.223 83 Y CB 1.477 39.938 38.460 0.001 0.000 1.187 83 Y HN -0.104 8.322 8.280 -0.219 -0.278 0.539 84 R N -3.453 117.177 120.500 0.216 0.000 2.855 84 R HA 0.303 4.714 4.340 0.117 0.000 0.266 84 R C -2.550 173.839 176.300 0.148 0.000 1.034 84 R CA -0.948 55.256 56.100 0.173 0.000 0.944 84 R CB 4.615 35.048 30.300 0.223 0.000 1.219 84 R HN 0.216 8.963 8.270 0.214 -0.349 0.474 85 N N -0.312 118.412 118.700 0.039 0.000 2.558 85 N HA 0.406 5.320 4.740 0.040 -0.149 0.285 85 N C -1.528 173.800 175.510 -0.303 0.000 1.112 85 N CA 0.097 53.089 53.050 -0.096 0.000 0.857 85 N CB 1.528 39.906 38.487 -0.182 0.000 1.376 85 N HN 0.197 8.581 8.380 0.007 0.000 0.526 86 A N 2.051 124.785 122.820 -0.143 0.000 2.275 86 A HA 0.106 4.333 4.320 -0.157 0.000 0.212 86 A C -0.188 177.337 177.584 -0.098 0.000 1.201 86 A CA -0.165 51.792 52.037 -0.133 0.000 0.843 86 A CB 0.969 19.934 19.000 -0.058 0.000 0.873 86 A HN 0.904 8.962 8.150 0.032 0.111 0.492 87 H N -3.449 115.680 119.070 0.099 0.000 2.672 87 H HA -0.342 4.258 4.556 0.074 0.000 0.325 87 H C -2.003 173.365 175.328 0.068 0.000 1.158 87 H CA 0.857 56.947 56.048 0.070 0.000 1.134 87 H CB -2.931 26.854 29.762 0.038 0.000 1.553 87 H HN -0.223 8.113 8.280 -0.264 -0.214 0.419 88 S N -4.855 110.962 115.700 0.194 0.000 2.625 88 S HA 0.941 5.608 4.470 0.126 -0.122 0.271 88 S C -2.461 172.289 174.600 0.250 0.000 1.161 88 S CA -1.206 57.107 58.200 0.189 0.000 0.820 88 S CB 4.357 67.635 63.200 0.130 0.000 1.137 88 S HN -0.321 8.110 8.310 0.201 0.000 0.470 89 A N -1.136 121.788 122.820 0.174 0.000 2.549 89 A HA 0.891 5.284 4.320 -0.128 -0.150 0.297 89 A C -2.329 175.255 177.584 0.001 0.000 1.061 89 A CA -0.523 51.524 52.037 0.017 0.000 0.690 89 A CB 3.815 22.791 19.000 -0.039 0.000 1.287 89 A HN 0.671 8.895 8.150 0.122 0.000 0.402 90 T N 3.673 118.149 114.554 -0.130 0.000 2.863 90 T HA 1.065 5.465 4.350 -0.278 -0.217 0.285 90 T C -0.799 173.637 174.700 -0.440 0.000 1.009 90 T CA -1.254 60.632 62.100 -0.357 0.000 0.989 90 T CB 2.732 71.189 68.868 -0.683 0.000 1.004 90 T HN 0.960 8.930 8.240 -0.275 0.106 0.455 91 T N 1.391 115.659 114.554 -0.476 0.000 2.861 91 T HA 0.839 5.277 4.350 -0.204 -0.210 0.287 91 T C -1.494 172.936 174.700 -0.450 0.000 1.003 91 T CA -1.845 60.068 62.100 -0.312 0.000 0.977 91 T CB 2.748 71.516 68.868 -0.167 0.000 0.996 91 T HN 0.434 8.401 8.240 -0.455 0.000 0.448 92 W N 4.501 125.410 121.300 -0.651 0.000 2.587 92 W HA 0.455 5.091 4.660 -0.275 -0.141 0.324 92 W C -1.441 174.753 176.519 -0.542 0.000 1.040 92 W CA -1.362 55.576 57.345 -0.679 0.000 1.222 92 W CB 3.497 32.074 29.460 -1.471 0.000 1.381 92 W HN 0.972 8.928 8.180 -0.372 0.000 0.483 93 S N 2.371 118.024 115.700 -0.078 0.000 2.519 93 S HA 0.765 5.362 4.470 -0.021 -0.139 0.309 93 S C -0.965 173.663 174.600 0.047 0.000 1.100 93 S CA -1.603 56.585 58.200 -0.020 0.000 1.059 93 S CB 1.463 64.654 63.200 -0.015 0.000 1.008 93 S HN 0.499 8.794 8.310 -0.026 0.000 0.478 94 G N 4.207 113.061 108.800 0.089 0.000 2.578 94 G HA2 0.669 4.696 3.960 0.111 0.000 0.302 94 G HA3 0.669 4.889 3.960 0.176 -0.154 0.302 94 G C -3.423 171.567 174.900 0.151 0.000 1.243 94 G CA 0.653 45.834 45.100 0.134 0.000 0.843 94 G HN 0.529 8.876 8.290 0.095 0.000 0.486 95 Q N -3.405 116.494 119.800 0.164 0.000 2.416 95 Q HA 0.913 5.522 4.340 0.191 -0.154 0.281 95 Q C -2.592 173.520 176.000 0.186 0.000 1.067 95 Q CA -2.031 53.873 55.803 0.168 0.000 0.809 95 Q CB 4.520 33.330 28.738 0.120 0.000 1.418 95 Q HN 0.258 8.630 8.270 0.170 0.000 0.411 96 Y N 2.781 123.125 120.300 0.074 0.000 2.342 96 Y HA 0.578 5.293 4.550 0.023 -0.151 0.334 96 Y C -2.386 173.563 175.900 0.082 0.000 1.067 96 Y CA -1.643 56.485 58.100 0.045 0.000 1.128 96 Y CB 2.658 41.120 38.460 0.003 0.000 1.200 96 Y HN 0.841 9.190 8.280 0.299 0.110 0.464 97 V N 7.372 126.862 119.914 -0.707 0.000 2.444 97 V HA 0.307 4.201 4.120 -0.377 0.000 0.294 97 V C -0.936 174.658 176.094 -0.834 0.000 1.022 97 V CA -1.381 60.608 62.300 -0.519 0.000 0.850 97 V CB 3.130 34.844 31.823 -0.181 0.000 0.992 97 V HN 0.503 8.320 8.190 -0.621 0.000 0.426 98 G N 3.974 112.388 108.800 -0.645 0.000 2.532 98 G HA2 0.524 4.322 3.960 -0.269 0.000 0.291 98 G HA3 0.524 4.486 3.960 0.004 0.000 0.291 98 G C -0.872 173.991 174.900 -0.062 0.000 1.349 98 G CA -1.454 43.489 45.100 -0.263 0.000 1.038 98 G HN 0.211 8.257 8.290 -0.407 0.000 0.518 99 G N -2.703 106.116 108.800 0.031 0.000 2.343 99 G HA2 -0.249 3.731 3.960 0.032 0.000 0.562 99 G HA3 -0.249 3.717 3.960 0.009 0.000 0.562 99 G C -0.316 174.604 174.900 0.033 0.000 1.269 99 G CA -0.796 44.319 45.100 0.026 0.000 1.011 99 G HN -0.212 8.129 8.290 0.085 0.000 0.498 100 A N -0.315 122.520 122.820 0.024 0.000 1.884 100 A HA -0.172 4.158 4.320 0.018 0.000 0.219 100 A C 0.454 178.054 177.584 0.026 0.000 1.197 100 A CA 2.056 54.105 52.037 0.021 0.000 0.637 100 A CB 0.030 19.040 19.000 0.017 0.000 0.827 100 A HN 0.230 8.392 8.150 0.020 0.000 0.450 101 E N -1.215 119.004 120.200 0.032 0.000 2.400 101 E HA 0.109 4.489 4.350 0.050 0.000 0.232 101 E C -2.191 174.450 176.600 0.069 0.000 0.988 101 E CA -1.760 54.670 56.400 0.049 0.000 0.823 101 E CB -1.096 28.632 29.700 0.046 0.000 1.246 101 E HN 0.009 8.387 8.360 0.027 -0.002 0.441 102 A N 3.886 126.764 122.820 0.097 0.000 2.371 102 A HA 0.462 4.939 4.320 0.016 -0.148 0.257 102 A C -0.764 177.012 177.584 0.319 0.000 1.089 102 A CA -0.296 51.828 52.037 0.145 0.000 0.794 102 A CB 1.269 20.430 19.000 0.268 0.000 1.029 102 A HN 0.236 8.435 8.150 0.082 0.000 0.488 103 R N -2.704 117.960 120.500 0.275 0.000 2.752 103 R HA 0.946 5.857 4.340 0.694 -0.155 0.271 103 R C -2.231 174.184 176.300 0.191 0.000 1.026 103 R CA -1.696 54.631 56.100 0.378 0.000 0.901 103 R CB 3.508 33.956 30.300 0.247 0.000 1.243 103 R HN 0.372 8.668 8.270 0.043 0.000 0.463 104 I N -0.466 120.228 120.570 0.207 0.000 2.447 104 I HA 0.614 5.057 4.170 0.137 -0.192 0.287 104 I C -1.784 174.528 176.117 0.326 0.000 1.023 104 I CA -1.274 60.128 61.300 0.169 0.000 1.083 104 I CB 2.756 40.760 38.000 0.006 0.000 1.245 104 I HN 0.137 8.555 8.210 0.347 0.000 0.434 105 N N 8.305 127.157 118.700 0.253 0.000 2.400 105 N HA 0.589 5.503 4.740 0.289 0.000 0.288 105 N C -0.990 174.681 175.510 0.267 0.000 1.024 105 N CA -0.141 53.059 53.050 0.249 0.000 0.894 105 N CB 2.748 41.330 38.487 0.159 0.000 1.173 105 N HN 0.333 8.829 8.380 0.194 0.000 0.487 106 T N -0.946 113.804 114.554 0.326 0.000 2.841 106 T HA 0.653 5.255 4.350 0.212 -0.125 0.296 106 T C -1.351 173.510 174.700 0.269 0.000 1.166 106 T CA -2.127 60.158 62.100 0.308 0.000 1.007 106 T CB 3.463 72.605 68.868 0.456 0.000 1.253 106 T HN 0.484 8.935 8.240 0.351 0.000 0.511 107 Q N -0.012 119.886 119.800 0.163 0.000 2.375 107 Q HA 0.755 5.230 4.340 -0.025 -0.150 0.271 107 Q C -1.714 174.276 176.000 -0.017 0.000 1.074 107 Q CA -0.893 54.915 55.803 0.008 0.000 0.808 107 Q CB 4.885 33.600 28.738 -0.037 0.000 1.327 107 Q HN 0.187 8.540 8.270 0.139 0.000 0.441 108 W N -1.363 119.833 121.300 -0.174 0.000 2.962 108 W HA 0.927 5.459 4.660 -0.446 -0.140 0.341 108 W C -2.853 173.466 176.519 -0.334 0.000 1.155 108 W CA -2.957 54.129 57.345 -0.432 0.000 1.165 108 W CB 3.367 32.296 29.460 -0.884 0.000 1.435 108 W HN 1.117 8.777 8.180 -0.680 0.112 0.546 109 L N -0.248 120.994 121.223 0.031 0.000 2.381 109 L HA 0.760 5.310 4.340 0.022 -0.197 0.274 109 L C -1.834 175.061 176.870 0.042 0.000 0.988 109 L CA -1.201 53.652 54.840 0.022 0.000 0.824 109 L CB 2.800 44.824 42.059 -0.059 0.000 1.263 109 L HN 0.348 8.512 8.230 -0.109 0.000 0.410 110 L N 5.635 126.938 121.223 0.133 0.000 2.316 110 L HA 0.716 5.200 4.340 -0.060 -0.181 0.280 110 L C -1.708 175.168 176.870 0.010 0.000 1.006 110 L CA -1.541 53.311 54.840 0.019 0.000 0.836 110 L CB 2.855 44.908 42.059 -0.010 0.000 1.221 110 L HN 1.010 9.249 8.230 0.193 0.106 0.418 111 T N 9.597 124.148 114.554 -0.005 0.000 2.794 111 T HA 0.598 5.132 4.350 -0.021 -0.197 0.280 111 T C -0.646 174.057 174.700 0.005 0.000 0.987 111 T CA -0.567 61.526 62.100 -0.010 0.000 0.993 111 T CB 1.634 70.493 68.868 -0.015 0.000 0.939 111 T HN 0.755 8.990 8.240 -0.008 0.000 0.449 112 S N 5.651 121.343 115.700 -0.013 0.000 2.593 112 S HA 0.426 5.055 4.470 0.038 -0.136 0.297 112 S C -0.173 174.427 174.600 0.001 0.000 1.112 112 S CA -0.402 57.801 58.200 0.004 0.000 1.043 112 S CB 2.595 65.779 63.200 -0.025 0.000 1.054 112 S HN 0.411 8.700 8.310 -0.035 0.000 0.516 113 G N 1.473 110.289 108.800 0.027 0.000 2.355 113 G HA2 0.052 4.008 3.960 -0.006 0.000 0.276 113 G HA3 0.052 4.016 3.960 0.006 0.000 0.276 113 G C -1.264 173.622 174.900 -0.023 0.000 1.198 113 G CA 0.240 45.341 45.100 0.002 0.000 0.876 113 G HN 0.131 8.463 8.290 0.069 0.000 0.478 114 T N 1.488 116.020 114.554 -0.037 0.000 2.773 114 T HA 0.271 4.593 4.350 -0.046 0.000 0.278 114 T C -0.795 173.884 174.700 -0.036 0.000 1.011 114 T CA -1.749 60.322 62.100 -0.048 0.000 1.014 114 T CB 2.372 71.193 68.868 -0.079 0.000 1.293 114 T HN -0.065 8.154 8.240 -0.034 0.000 0.554 115 T N -3.091 111.444 114.554 -0.031 0.000 2.874 115 T HA 0.201 4.542 4.350 -0.016 0.000 0.281 115 T C 0.710 175.408 174.700 -0.003 0.000 0.994 115 T CA -1.333 60.759 62.100 -0.014 0.000 1.015 115 T CB 1.427 70.291 68.868 -0.007 0.000 1.028 115 T HN -0.129 8.089 8.240 -0.037 0.000 0.523 116 E N 1.132 121.338 120.200 0.010 0.000 2.130 116 E HA -0.473 3.890 4.350 0.022 0.000 0.196 116 E C 2.644 179.278 176.600 0.058 0.000 0.998 116 E CA 3.207 59.624 56.400 0.027 0.000 0.806 116 E CB -0.549 29.166 29.700 0.026 0.000 0.738 116 E HN 0.414 8.778 8.360 0.007 0.000 0.459 117 A N -0.207 122.650 122.820 0.062 0.000 1.877 117 A HA -0.188 4.211 4.320 0.131 0.000 0.216 117 A C 0.797 178.477 177.584 0.160 0.000 1.186 117 A CA 2.583 54.688 52.037 0.112 0.000 0.620 117 A CB -0.840 18.213 19.000 0.088 0.000 0.822 117 A HN 0.099 8.255 8.150 0.041 0.020 0.443 118 N N -3.407 115.318 118.700 0.042 0.000 2.383 118 N HA 0.064 4.734 4.740 -0.116 0.000 0.192 118 N C 1.039 176.390 175.510 -0.264 0.000 1.141 118 N CA 0.283 53.260 53.050 -0.121 0.000 0.851 118 N CB 0.111 38.514 38.487 -0.140 0.000 0.976 118 N HN -0.617 7.774 8.380 0.019 0.000 0.465 119 A N 1.316 124.084 122.820 -0.085 0.000 1.978 119 A HA -0.135 4.124 4.320 -0.102 0.000 0.220 119 A C 1.946 179.475 177.584 -0.092 0.000 1.170 119 A CA 2.822 54.816 52.037 -0.072 0.000 0.636 119 A CB -0.522 18.487 19.000 0.016 0.000 0.810 119 A HN -0.445 7.516 8.150 0.010 0.195 0.448 120 W N -5.017 116.279 121.300 -0.006 0.000 2.364 120 W HA -0.238 4.417 4.660 -0.010 0.000 0.281 120 W C -0.243 176.271 176.519 -0.009 0.000 1.219 120 W CA 0.916 58.256 57.345 -0.008 0.000 1.220 120 W CB -0.872 28.583 29.460 -0.008 0.000 1.127 120 W HN -0.244 7.999 8.180 0.140 0.022 0.556 121 K N -1.658 118.161 120.400 -0.968 0.000 2.681 121 K HA 0.365 4.354 4.320 -0.551 0.000 0.211 121 K C -0.004 176.339 176.600 -0.429 0.000 1.075 121 K CA -0.485 55.290 56.287 -0.854 0.000 1.141 121 K CB -0.588 31.045 32.500 -1.446 0.000 0.896 121 K HN -0.639 6.757 8.250 -1.183 0.144 0.470 122 S N -0.146 115.390 115.700 -0.272 0.000 2.496 122 S HA -0.028 4.337 4.470 -0.175 0.000 0.224 122 S C -0.662 173.877 174.600 -0.101 0.000 0.996 122 S CA 1.713 59.816 58.200 -0.162 0.000 0.927 122 S CB 0.736 63.870 63.200 -0.110 0.000 0.774 122 S HN -0.061 7.952 8.310 -0.236 0.156 0.524 123 T N 4.460 118.962 114.554 -0.086 0.000 2.792 123 T HA 0.667 5.237 4.350 -0.032 -0.240 0.280 123 T C -0.457 174.221 174.700 -0.036 0.000 0.990 123 T CA 0.276 62.348 62.100 -0.047 0.000 0.960 123 T CB 1.888 70.734 68.868 -0.036 0.000 0.939 123 T HN -0.703 7.477 8.240 -0.100 0.000 0.439 124 L N 8.010 129.239 121.223 0.009 0.000 2.334 124 L HA 0.357 4.678 4.340 -0.030 0.000 0.275 124 L C -1.634 175.212 176.870 -0.040 0.000 1.036 124 L CA -0.774 54.081 54.840 0.026 0.000 0.807 124 L CB 2.108 44.270 42.059 0.172 0.000 1.231 124 L HN 0.847 9.098 8.230 0.035 0.000 0.438 125 V N 1.089 120.843 119.914 -0.266 0.000 2.735 125 V HA 0.953 4.960 4.120 -0.551 -0.218 0.310 125 V C -0.939 174.516 176.094 -1.066 0.000 1.061 125 V CA -2.513 59.459 62.300 -0.547 0.000 0.913 125 V CB 3.314 34.960 31.823 -0.294 0.000 1.005 125 V HN -0.017 8.042 8.190 -0.220 0.000 0.428 126 G N 5.279 113.006 108.800 -1.788 0.000 2.619 126 G HA2 0.301 3.742 3.960 -0.865 0.000 0.305 126 G HA3 0.301 2.966 3.960 -2.159 0.000 0.305 126 G C -3.396 170.713 174.900 -1.318 0.000 1.330 126 G CA 0.160 44.246 45.100 -1.690 0.000 0.789 126 G HN 0.172 7.432 8.290 -1.717 0.000 0.487 127 H N -4.278 114.458 119.070 -0.557 0.000 2.930 127 H HA 0.463 5.030 4.556 -0.113 -0.079 0.371 127 H C -1.809 173.669 175.328 0.250 0.000 1.169 127 H CA -1.708 54.272 56.048 -0.113 0.000 1.157 127 H CB 3.507 33.223 29.762 -0.077 0.000 1.789 127 H HN 0.063 7.753 8.280 -0.984 0.000 0.547 128 D N 0.595 121.265 120.400 0.449 0.000 2.732 128 D HA 0.288 5.164 4.640 0.181 -0.128 0.229 128 D C -1.237 175.166 176.300 0.171 0.000 1.152 128 D CA -0.306 53.863 54.000 0.282 0.000 0.854 128 D CB 4.613 45.562 40.800 0.247 0.000 1.590 128 D HN 0.122 8.688 8.370 0.504 0.107 0.468 129 T N 4.234 118.786 114.554 -0.003 0.000 2.824 129 T HA 0.667 5.344 4.350 0.249 -0.177 0.282 129 T C -1.136 173.531 174.700 -0.054 0.000 0.993 129 T CA -0.247 61.916 62.100 0.104 0.000 0.967 129 T CB 1.932 70.883 68.868 0.139 0.000 0.960 129 T HN 0.828 9.428 8.240 -0.059 -0.395 0.441 130 F N 6.314 126.459 119.950 0.326 0.000 2.469 130 F HA 0.791 5.797 4.527 0.416 -0.229 0.332 130 F C -0.294 175.832 175.800 0.543 0.000 1.103 130 F CA -1.543 56.711 58.000 0.423 0.000 0.979 130 F CB 3.526 42.773 39.000 0.411 0.000 1.137 130 F HN 0.588 9.199 8.300 0.519 0.000 0.463 131 T N -2.482 112.509 114.554 0.728 0.000 2.887 131 T HA 0.606 5.360 4.350 0.674 0.000 0.292 131 T C 0.372 175.293 174.700 0.367 0.000 1.087 131 T CA -2.150 60.282 62.100 0.553 0.000 1.009 131 T CB 3.347 72.403 68.868 0.314 0.000 1.203 131 T HN 0.802 9.435 8.240 0.655 0.000 0.518 132 K N 0.697 121.084 120.400 -0.022 0.000 2.400 132 K HA 0.217 4.397 4.320 -0.494 -0.156 0.194 132 K C -0.878 175.740 176.600 0.030 0.000 1.033 132 K CA 2.078 58.195 56.287 -0.283 0.000 1.021 132 K CB 0.711 32.930 32.500 -0.468 0.000 0.808 132 K HN 0.514 8.777 8.250 0.022 0.000 0.505 133 V N -2.655 117.307 119.914 0.079 0.000 2.919 133 V HA 0.206 4.302 4.120 -0.039 0.000 0.316 133 V C -1.520 174.578 176.094 0.007 0.000 1.077 133 V CA -1.604 60.699 62.300 0.006 0.000 0.977 133 V CB 2.730 34.546 31.823 -0.012 0.000 1.039 133 V HN -0.669 7.513 8.190 0.097 0.065 0.441 134 K N 0.000 120.268 120.400 -0.220 0.000 2.780 134 K HA 0.000 4.297 4.320 -0.039 0.000 0.191 134 K CA 0.000 56.140 56.287 -0.246 0.000 0.838 134 K CB 0.000 32.077 32.500 -0.706 0.000 1.064 134 K HN 0.000 8.085 8.250 -0.275 0.000 0.543