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 2rtd_1_D DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK V 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 4.398 4.320 0.130 0.000 0.244 13 A C 0.000 177.661 177.584 0.129 0.000 1.274 13 A CA 0.000 52.125 52.037 0.146 0.000 0.836 13 A CB 0.000 19.116 19.000 0.194 0.000 0.831 14 E N -6.453 113.713 120.200 -0.058 0.000 3.376 14 E HA -0.217 3.702 4.350 -0.718 0.000 0.142 14 E C 0.380 176.801 176.600 -0.298 0.000 0.601 14 E CA 1.137 57.379 56.400 -0.262 0.000 2.970 14 E CB -1.292 28.453 29.700 0.076 0.000 1.416 14 E HN 0.360 8.632 8.360 -0.146 0.000 0.768 15 A N 3.870 126.622 122.820 -0.112 0.000 2.623 15 A HA -0.361 3.951 4.320 -0.013 0.000 0.260 15 A C 1.203 178.733 177.584 -0.090 0.000 1.768 15 A CA 2.434 54.445 52.037 -0.043 0.000 1.052 15 A CB -0.610 18.439 19.000 0.082 0.000 0.464 15 A HN 0.336 8.369 8.150 -0.029 0.099 0.414 16 G N -2.867 105.912 108.800 -0.035 0.000 4.294 16 G HA2 0.330 4.260 3.960 -0.051 0.000 0.301 16 G HA3 0.330 4.354 3.960 0.107 0.000 0.301 16 G C 0.361 175.247 174.900 -0.022 0.000 1.321 16 G CA -0.799 44.302 45.100 0.001 0.000 1.190 16 G HN -0.368 7.975 8.290 0.089 0.000 0.600 17 I N 1.832 122.205 120.570 -0.327 0.000 2.480 17 I HA -0.211 3.940 4.170 -0.032 0.000 0.251 17 I C -0.349 175.740 176.117 -0.047 0.000 1.124 17 I CA 2.337 63.445 61.300 -0.320 0.000 1.444 17 I CB 0.573 38.143 38.000 -0.717 0.000 1.098 17 I HN 0.238 8.141 8.210 -0.397 0.069 0.428 18 T N 0.963 115.416 114.554 -0.167 0.000 2.940 18 T HA -0.275 4.126 4.350 -0.212 -0.179 0.309 18 T C -0.126 174.499 174.700 -0.126 0.000 1.056 18 T CA 3.284 65.287 62.100 -0.161 0.000 1.137 18 T CB 0.097 68.867 68.868 -0.164 0.000 0.976 18 T HN -0.486 7.621 8.240 -0.222 0.000 0.547 19 G N 3.847 112.541 108.800 -0.176 0.000 2.350 19 G HA2 -0.168 3.647 3.960 -0.242 0.000 0.282 19 G HA3 -0.168 3.564 3.960 -0.381 0.000 0.282 19 G C -3.226 171.493 174.900 -0.302 0.000 1.314 19 G CA 0.118 45.054 45.100 -0.274 0.000 0.915 19 G HN 0.009 8.172 8.290 -0.211 0.000 0.499 20 T N 2.121 116.435 114.554 -0.400 0.000 2.770 20 T HA 0.762 5.083 4.350 -0.337 -0.173 0.283 20 T C -1.072 173.324 174.700 -0.508 0.000 0.988 20 T CA 0.652 62.517 62.100 -0.392 0.000 0.957 20 T CB 1.144 69.810 68.868 -0.336 0.000 0.930 20 T HN 0.034 8.010 8.240 -0.440 0.000 0.443 21 W N 5.868 126.876 121.300 -0.487 0.000 2.820 21 W HA 0.441 5.158 4.660 -0.105 -0.120 0.350 21 W C -1.659 174.643 176.519 -0.362 0.000 1.116 21 W CA -1.403 55.802 57.345 -0.233 0.000 1.146 21 W CB 3.438 32.916 29.460 0.030 0.000 1.433 21 W HN 1.054 9.049 8.180 -0.122 0.112 0.561 22 Y N -3.429 117.192 120.300 0.534 0.000 2.553 22 Y HA 0.936 5.935 4.550 0.349 -0.240 0.347 22 Y C -0.824 175.296 175.900 0.367 0.000 1.019 22 Y CA -1.913 56.412 58.100 0.376 0.000 1.032 22 Y CB 3.732 42.308 38.460 0.194 0.000 1.284 22 Y HN 1.096 9.693 8.280 0.703 0.104 0.466 23 N N 0.029 118.920 118.700 0.318 0.000 2.592 23 N HA 0.662 5.542 4.740 -0.077 -0.186 0.292 23 N C 1.978 177.516 175.510 0.046 0.000 1.260 23 N CA -2.903 50.105 53.050 -0.070 0.000 0.910 23 N CB 1.850 39.986 38.487 -0.584 0.000 1.257 23 N HN 0.026 8.613 8.380 0.345 0.000 0.569 24 Q N -0.653 119.145 119.800 -0.003 0.000 2.439 24 Q HA -0.132 4.238 4.340 0.050 0.000 0.211 24 Q C 0.198 176.223 176.000 0.041 0.000 0.978 24 Q CA 2.052 57.876 55.803 0.035 0.000 0.897 24 Q CB -0.953 27.805 28.738 0.034 0.000 0.956 24 Q HN 0.372 8.601 8.270 -0.069 0.000 0.483 25 L N -2.735 118.517 121.223 0.049 0.000 2.585 25 L HA 0.232 4.598 4.340 0.044 0.000 0.226 25 L C 0.584 177.499 176.870 0.075 0.000 1.113 25 L CA -0.303 54.571 54.840 0.057 0.000 0.876 25 L CB 0.581 42.680 42.059 0.066 0.000 1.072 25 L HN -0.514 7.914 8.230 0.041 -0.174 0.468 26 G N -1.698 107.163 108.800 0.102 0.000 2.130 26 G HA2 -0.348 3.694 3.960 0.138 0.000 0.216 26 G HA3 -0.348 3.664 3.960 0.087 0.000 0.216 26 G C -0.577 174.432 174.900 0.182 0.000 0.999 26 G CA -0.078 45.099 45.100 0.127 0.000 0.686 26 G HN -0.202 8.048 8.290 0.104 0.103 0.515 27 S N 0.779 116.594 115.700 0.193 0.000 2.601 27 S HA 0.039 4.654 4.470 0.141 -0.060 0.271 27 S C -0.937 173.746 174.600 0.138 0.000 1.305 27 S CA 1.510 59.806 58.200 0.161 0.000 1.022 27 S CB 1.890 65.235 63.200 0.242 0.000 0.940 27 S HN -0.137 8.624 8.310 0.179 -0.343 0.525 28 T N 4.847 119.371 114.554 -0.051 0.000 2.797 28 T HA 0.664 5.099 4.350 -0.165 -0.183 0.279 28 T C -1.635 172.850 174.700 -0.360 0.000 0.991 28 T CA -0.192 61.816 62.100 -0.155 0.000 0.979 28 T CB 1.622 70.443 68.868 -0.077 0.000 0.943 28 T HN 0.546 8.731 8.240 -0.092 0.000 0.444 29 F N 9.002 128.658 119.950 -0.491 0.000 2.445 29 F HA 0.606 4.893 4.527 -0.607 -0.124 0.348 29 F C -2.961 172.628 175.800 -0.352 0.000 1.125 29 F CA -2.939 54.734 58.000 -0.545 0.000 0.983 29 F CB 2.966 41.556 39.000 -0.682 0.000 1.198 29 F HN 0.771 8.969 8.300 -0.171 0.000 0.436 30 I N 8.794 129.113 120.570 -0.419 0.000 2.354 30 I HA 0.552 4.653 4.170 -0.423 -0.185 0.286 30 I C -2.251 173.521 176.117 -0.575 0.000 1.007 30 I CA -0.939 60.104 61.300 -0.430 0.000 1.167 30 I CB 1.568 39.418 38.000 -0.251 0.000 1.320 30 I HN 0.717 8.777 8.210 -0.251 0.000 0.458 31 V N 9.271 128.763 119.914 -0.703 0.000 3.001 31 V HA 0.964 4.957 4.120 -0.509 -0.179 0.314 31 V C -2.186 173.677 176.094 -0.386 0.000 1.099 31 V CA -3.302 58.608 62.300 -0.651 0.000 0.989 31 V CB 5.281 36.396 31.823 -1.179 0.000 1.040 31 V HN 0.913 8.733 8.190 -0.617 0.000 0.434 32 T N 3.368 117.748 114.554 -0.290 0.000 2.841 32 T HA 0.470 4.700 4.350 -0.201 0.000 0.285 32 T C -1.708 172.889 174.700 -0.173 0.000 0.991 32 T CA -2.267 59.714 62.100 -0.197 0.000 0.966 32 T CB 1.933 70.720 68.868 -0.134 0.000 0.962 32 T HN 0.576 8.648 8.240 -0.280 0.000 0.438 33 A N 5.057 127.769 122.820 -0.180 0.000 2.304 33 A HA 0.838 5.314 4.320 -0.053 -0.189 0.323 33 A C -0.659 176.934 177.584 0.015 0.000 1.195 33 A CA -2.111 49.841 52.037 -0.141 0.000 0.826 33 A CB 1.899 20.610 19.000 -0.481 0.000 1.184 33 A HN 0.438 8.474 8.150 -0.191 0.000 0.496 34 G N 0.096 108.983 108.800 0.145 0.000 2.425 34 G HA2 0.076 4.064 3.960 0.046 0.000 0.302 34 G HA3 0.076 4.081 3.960 0.074 0.000 0.302 34 G C -0.188 174.807 174.900 0.158 0.000 1.159 34 G CA -1.304 43.855 45.100 0.098 0.000 0.865 34 G HN 0.242 8.565 8.290 0.232 0.106 0.515 35 A N 0.314 123.187 122.820 0.088 0.000 2.178 35 A HA -0.126 4.285 4.320 0.152 0.000 0.218 35 A C 0.236 177.833 177.584 0.022 0.000 1.157 35 A CA 1.967 54.056 52.037 0.086 0.000 0.689 35 A CB -0.023 19.001 19.000 0.041 0.000 0.787 35 A HN 0.461 8.642 8.150 0.051 0.000 0.465 36 D N -2.110 118.282 120.400 -0.013 0.000 2.427 36 D HA -0.050 4.537 4.640 -0.088 0.000 0.224 36 D C -0.599 175.578 176.300 -0.205 0.000 1.157 36 D CA -0.619 53.331 54.000 -0.084 0.000 0.828 36 D CB 0.132 40.902 40.800 -0.050 0.000 0.974 36 D HN -0.386 7.935 8.370 0.015 0.057 0.498 37 G N -2.353 106.200 108.800 -0.412 0.000 2.157 37 G HA2 -0.414 2.459 3.960 -1.947 0.000 0.239 37 G HA3 -0.414 3.223 3.960 -0.538 0.000 0.239 37 G C -1.685 173.059 174.900 -0.260 0.000 0.982 37 G CA 0.163 44.798 45.100 -0.775 0.000 0.650 37 G HN -0.426 7.618 8.290 -0.302 0.065 0.527 38 A N -0.324 122.507 122.820 0.018 0.000 2.295 38 A HA 0.533 5.014 4.320 0.077 -0.114 0.318 38 A C -1.754 175.952 177.584 0.203 0.000 1.134 38 A CA -1.562 50.536 52.037 0.102 0.000 0.827 38 A CB 2.615 21.646 19.000 0.051 0.000 1.136 38 A HN -0.719 7.451 8.150 0.032 0.000 0.493 39 L N 0.576 121.879 121.223 0.134 0.000 2.410 39 L HA 1.004 5.560 4.340 -0.000 -0.216 0.270 39 L C -0.217 176.654 176.870 0.001 0.000 0.983 39 L CA -1.446 53.424 54.840 0.050 0.000 0.822 39 L CB 3.389 45.486 42.059 0.063 0.000 1.285 39 L HN -0.046 8.251 8.230 0.112 0.000 0.409 40 T N -1.855 112.659 114.554 -0.065 0.000 2.883 40 T HA 0.802 5.287 4.350 -0.028 -0.151 0.301 40 T C -0.763 173.861 174.700 -0.127 0.000 1.158 40 T CA -2.156 59.907 62.100 -0.061 0.000 1.007 40 T CB 3.560 72.403 68.868 -0.040 0.000 1.186 40 T HN 0.367 8.541 8.240 -0.111 0.000 0.499 41 G N -0.949 107.793 108.800 -0.097 0.000 2.351 41 G HA2 0.151 4.033 3.960 -0.129 0.000 0.279 41 G HA3 0.151 4.170 3.960 -0.224 -0.194 0.279 41 G C -2.606 172.261 174.900 -0.054 0.000 1.297 41 G CA 0.869 45.890 45.100 -0.132 0.000 0.886 41 G HN -0.369 7.889 8.290 -0.052 0.000 0.493 42 T N -2.370 112.156 114.554 -0.047 0.000 2.896 42 T HA 0.986 5.564 4.350 0.085 -0.178 0.297 42 T C -2.582 172.194 174.700 0.126 0.000 1.108 42 T CA -2.137 59.992 62.100 0.048 0.000 1.004 42 T CB 3.731 72.611 68.868 0.020 0.000 1.159 42 T HN 0.147 8.317 8.240 -0.116 0.000 0.499 43 Y N 0.912 121.273 120.300 0.102 0.000 2.442 43 Y HA 0.625 5.442 4.550 0.156 -0.174 0.344 43 Y C -2.499 173.581 175.900 0.300 0.000 0.976 43 Y CA -1.681 56.521 58.100 0.170 0.000 1.040 43 Y CB 4.574 43.097 38.460 0.106 0.000 1.228 43 Y HN 0.913 9.261 8.280 0.299 0.112 0.451 44 E N 7.411 127.713 120.200 0.170 0.000 2.244 44 E HA 0.532 5.343 4.350 0.505 -0.158 0.260 44 E C -2.193 174.583 176.600 0.293 0.000 0.884 44 E CA -1.577 55.003 56.400 0.300 0.000 0.777 44 E CB 3.988 33.762 29.700 0.123 0.000 1.197 44 E HN 0.552 8.725 8.360 -0.313 0.000 0.416 45 S N 7.730 123.723 115.700 0.487 0.000 2.525 45 S HA 0.157 4.889 4.470 0.438 0.000 0.278 45 S C -0.076 174.629 174.600 0.175 0.000 1.234 45 S CA -1.064 57.358 58.200 0.369 0.000 1.058 45 S CB 1.242 64.564 63.200 0.202 0.000 0.983 45 S HN 0.728 9.391 8.310 0.588 0.000 0.495 46 A N 6.996 129.898 122.820 0.137 0.000 2.169 46 A HA 0.071 4.439 4.320 0.080 0.000 0.212 46 A C -0.319 177.286 177.584 0.034 0.000 1.153 46 A CA 0.741 52.827 52.037 0.081 0.000 0.756 46 A CB 0.680 19.728 19.000 0.081 0.000 0.813 46 A HN 0.402 8.654 8.150 0.171 0.000 0.471 47 V N -3.745 116.170 119.914 0.003 0.000 3.102 47 V HA 0.280 4.376 4.120 -0.040 0.000 0.312 47 V C -0.176 175.826 176.094 -0.154 0.000 1.135 47 V CA -1.645 60.620 62.300 -0.058 0.000 1.022 47 V CB 2.690 34.480 31.823 -0.055 0.000 1.056 47 V HN -0.738 7.413 8.190 0.023 0.052 0.436 48 G N 1.812 110.518 108.800 -0.156 0.000 2.660 48 G HA2 -0.375 3.465 3.960 -0.201 0.000 0.247 48 G HA3 -0.375 3.365 3.960 -0.368 0.000 0.247 48 G C -0.985 173.802 174.900 -0.188 0.000 1.328 48 G CA -0.523 44.436 45.100 -0.234 0.000 0.884 48 G HN 0.089 8.316 8.290 -0.106 0.000 0.531 49 N N 2.732 121.297 118.700 -0.225 0.000 3.124 49 N HA 0.032 4.733 4.740 -0.066 0.000 0.284 49 N C -1.833 173.602 175.510 -0.125 0.000 1.209 49 N CA -0.943 52.031 53.050 -0.127 0.000 1.149 49 N CB -1.427 36.995 38.487 -0.109 0.000 1.434 49 N HN 0.075 8.276 8.380 -0.299 0.000 0.529 50 A N 1.121 123.905 122.820 -0.061 0.000 2.572 50 A HA 0.354 4.834 4.320 0.267 0.000 0.295 50 A C -2.521 175.204 177.584 0.233 0.000 1.072 50 A CA -0.865 51.237 52.037 0.107 0.000 0.691 50 A CB 2.810 21.729 19.000 -0.135 0.000 1.291 50 A HN -0.485 7.588 8.150 -0.054 0.045 0.404 51 E N 1.394 121.840 120.200 0.410 0.000 2.354 51 E HA 0.297 4.725 4.350 0.130 0.000 0.283 51 E C -1.153 175.452 176.600 0.009 0.000 0.938 51 E CA -0.542 55.952 56.400 0.157 0.000 0.777 51 E CB 2.953 32.684 29.700 0.051 0.000 1.222 51 E HN 0.411 9.221 8.360 0.749 0.000 0.423 52 S N 0.635 116.283 115.700 -0.087 0.000 3.630 52 S HA -0.453 4.025 4.470 -0.177 -0.114 0.634 52 S C -1.473 173.093 174.600 -0.056 0.000 2.333 52 S CA 1.100 59.161 58.200 -0.231 0.000 2.607 52 S CB 0.419 63.180 63.200 -0.732 0.000 0.329 52 S HN 0.320 8.615 8.310 -0.024 0.000 1.712 53 R N -0.781 119.634 120.500 -0.142 0.000 2.486 53 R HA 0.357 4.994 4.340 0.176 -0.191 0.286 53 R C -0.792 175.363 176.300 -0.241 0.000 0.999 53 R CA -0.142 55.940 56.100 -0.029 0.000 0.993 53 R CB 1.370 31.663 30.300 -0.010 0.000 1.084 53 R HN -0.141 8.008 8.270 -0.202 0.000 0.487 54 Y N -1.250 119.122 120.300 0.121 0.000 2.499 54 Y HA 0.192 4.780 4.550 0.064 0.000 0.347 54 Y C -0.599 175.313 175.900 0.021 0.000 0.987 54 Y CA -1.288 56.846 58.100 0.057 0.000 1.044 54 Y CB 3.115 41.552 38.460 -0.038 0.000 1.245 54 Y HN 0.473 8.869 8.280 0.362 0.101 0.461 55 V N 2.138 122.128 119.914 0.126 0.000 2.614 55 V HA -0.034 4.246 4.120 0.056 -0.126 0.291 55 V C -0.481 175.648 176.094 0.058 0.000 1.049 55 V CA 1.481 63.821 62.300 0.067 0.000 1.038 55 V CB 0.044 31.891 31.823 0.039 0.000 0.980 55 V HN 0.767 9.033 8.190 0.127 0.000 0.481 56 L N 2.081 123.340 121.223 0.060 0.000 2.371 56 L HA 1.095 5.662 4.340 0.087 -0.174 0.262 56 L C -1.437 175.478 176.870 0.074 0.000 1.006 56 L CA -1.659 53.234 54.840 0.089 0.000 0.818 56 L CB 4.256 46.390 42.059 0.125 0.000 1.354 56 L HN 0.093 8.349 8.230 0.045 0.000 0.415 57 T N 0.744 115.367 114.554 0.115 0.000 2.933 57 T HA 0.596 5.145 4.350 0.069 -0.157 0.305 57 T C -1.391 173.411 174.700 0.170 0.000 1.092 57 T CA -1.316 60.843 62.100 0.098 0.000 1.008 57 T CB 2.236 71.143 68.868 0.066 0.000 1.102 57 T HN -0.235 8.102 8.240 0.161 0.000 0.469 58 G N 3.013 111.912 108.800 0.164 0.000 2.634 58 G HA2 0.693 4.777 3.960 0.207 0.000 0.309 58 G HA3 0.693 4.968 3.960 0.319 -0.124 0.309 58 G C -2.861 172.144 174.900 0.175 0.000 1.299 58 G CA 0.490 45.722 45.100 0.221 0.000 0.798 58 G HN 0.268 8.629 8.290 0.118 0.000 0.490 59 R N -3.528 117.092 120.500 0.199 0.000 2.707 59 R HA 1.098 5.724 4.340 0.154 -0.194 0.272 59 R C -1.798 174.643 176.300 0.236 0.000 1.011 59 R CA -2.026 54.169 56.100 0.158 0.000 0.893 59 R CB 4.884 35.225 30.300 0.069 0.000 1.233 59 R HN -0.057 8.355 8.270 0.238 0.000 0.464 60 Y N -2.977 117.351 120.300 0.048 0.000 2.644 60 Y HA 0.624 5.345 4.550 0.072 -0.127 0.338 60 Y C -2.035 173.886 175.900 0.035 0.000 1.119 60 Y CA -2.526 55.603 58.100 0.048 0.000 1.060 60 Y CB 2.398 40.870 38.460 0.020 0.000 1.294 60 Y HN 0.364 8.479 8.280 -0.104 0.103 0.472 61 D N 0.409 120.870 120.400 0.101 0.000 2.339 61 D HA 0.241 4.807 4.640 -0.124 0.000 0.241 61 D C 0.172 176.464 176.300 -0.014 0.000 1.183 61 D CA -1.178 52.810 54.000 -0.019 0.000 0.859 61 D CB 1.492 42.337 40.800 0.074 0.000 1.067 61 D HN -0.141 8.402 8.370 0.289 0.000 0.484 62 S N 5.596 121.147 115.700 -0.249 0.000 2.368 62 S HA -0.257 4.288 4.470 0.125 0.000 0.224 62 S C 0.253 174.885 174.600 0.053 0.000 1.029 62 S CA 2.292 60.431 58.200 -0.100 0.000 0.988 62 S CB 0.253 63.321 63.200 -0.219 0.000 0.838 62 S HN 0.057 8.176 8.310 -0.317 0.000 0.462 63 A N 2.836 125.664 122.820 0.013 0.000 3.173 63 A HA 0.395 4.746 4.320 0.052 0.000 0.304 63 A C -2.620 174.994 177.584 0.050 0.000 1.318 63 A CA -2.830 49.228 52.037 0.036 0.000 1.069 63 A CB -0.378 18.629 19.000 0.012 0.000 1.147 63 A HN -0.706 7.550 8.150 -0.034 -0.127 0.547 64 P HA -0.112 4.516 4.420 0.076 -0.163 0.273 64 P C -1.468 175.870 177.300 0.064 0.000 1.252 64 P CA -0.189 62.961 63.100 0.083 0.000 0.809 64 P CB 1.069 32.839 31.700 0.116 0.000 1.017 65 A N -2.259 120.597 122.820 0.060 0.000 2.340 65 A HA 0.079 4.424 4.320 0.041 0.000 0.268 65 A C 1.190 178.803 177.584 0.049 0.000 1.100 65 A CA -0.699 51.366 52.037 0.047 0.000 0.803 65 A CB 1.141 20.166 19.000 0.042 0.000 1.043 65 A HN -0.025 8.165 8.150 0.066 0.000 0.488 66 T N 0.014 114.592 114.554 0.041 0.000 4.099 66 T HA -0.027 4.375 4.350 0.047 -0.024 0.223 66 T C -1.094 173.628 174.700 0.036 0.000 0.968 66 T CA -0.782 61.342 62.100 0.040 0.000 0.966 66 T CB -1.381 67.508 68.868 0.034 0.000 1.328 66 T HN 0.233 8.604 8.240 0.036 -0.109 0.783 67 D N -0.842 119.582 120.400 0.039 0.000 2.732 67 D HA -0.011 4.510 4.640 0.030 0.137 0.292 67 D C -0.726 175.597 176.300 0.038 0.000 1.135 67 D CA -1.690 52.330 54.000 0.034 0.000 1.071 67 D CB 1.898 42.716 40.800 0.031 0.000 1.457 67 D HN -0.240 8.995 8.370 0.046 -0.838 0.547 68 G N -2.304 106.516 108.800 0.033 0.000 3.316 68 G HA2 -0.065 3.917 3.960 0.037 0.000 0.255 68 G HA3 -0.065 3.912 3.960 0.028 0.000 0.255 68 G C -0.783 174.138 174.900 0.036 0.000 0.880 68 G CA 0.303 45.422 45.100 0.033 0.000 1.956 68 G HN -0.043 8.264 8.290 0.028 0.000 0.634 69 S N 1.073 116.800 115.700 0.046 0.000 2.726 69 S HA 0.148 4.644 4.470 0.042 0.000 0.308 69 S C -0.398 174.241 174.600 0.066 0.000 1.115 69 S CA -1.674 56.557 58.200 0.051 0.000 0.965 69 S CB 3.575 66.807 63.200 0.053 0.000 1.145 69 S HN -0.256 8.023 8.310 0.051 0.062 0.532 70 G N -0.580 108.264 108.800 0.073 0.000 2.531 70 G HA2 0.405 4.476 3.960 0.096 0.000 0.313 70 G HA3 0.405 4.532 3.960 0.088 -0.114 0.313 70 G C -1.374 173.612 174.900 0.143 0.000 1.238 70 G CA -0.803 44.357 45.100 0.100 0.000 0.994 70 G HN -0.313 8.111 8.290 0.066 -0.095 0.493 71 T N 3.805 118.485 114.554 0.211 0.000 2.743 71 T HA 0.123 4.585 4.350 0.186 0.000 0.292 71 T C -0.661 174.167 174.700 0.214 0.000 0.972 71 T CA 0.487 62.724 62.100 0.228 0.000 0.967 71 T CB 1.012 70.058 68.868 0.297 0.000 0.926 71 T HN 0.087 8.478 8.240 0.251 0.000 0.459 72 A N 8.843 131.767 122.820 0.173 0.000 2.440 72 A HA 0.549 5.165 4.320 0.158 -0.201 0.251 72 A C -1.387 176.317 177.584 0.199 0.000 1.089 72 A CA -0.536 51.597 52.037 0.160 0.000 0.779 72 A CB 0.872 19.941 19.000 0.115 0.000 1.022 72 A HN 0.742 8.983 8.150 0.152 0.000 0.492 73 L N -4.206 117.141 121.223 0.208 0.000 2.765 73 L HA 1.036 5.647 4.340 0.245 -0.124 0.263 73 L C -1.520 175.499 176.870 0.249 0.000 1.068 73 L CA -1.556 53.437 54.840 0.255 0.000 0.903 73 L CB 3.785 46.019 42.059 0.291 0.000 1.512 73 L HN 0.205 8.549 8.230 0.189 0.000 0.404 74 G N -3.995 104.989 108.800 0.306 0.000 2.601 74 G HA2 0.717 4.922 3.960 0.176 0.000 0.291 74 G HA3 0.717 4.731 3.960 0.148 0.035 0.291 74 G C -3.451 171.693 174.900 0.405 0.000 1.456 74 G CA 0.845 46.095 45.100 0.249 0.000 0.804 74 G HN -0.264 8.229 8.290 0.338 0.000 0.499 75 W N -3.717 117.650 121.300 0.111 0.000 3.066 75 W HA 0.713 5.523 4.660 0.070 -0.108 0.330 75 W C -3.106 173.499 176.519 0.144 0.000 1.253 75 W CA -1.483 55.910 57.345 0.080 0.000 1.187 75 W CB 2.090 31.551 29.460 0.002 0.000 1.434 75 W HN 0.486 8.633 8.180 -0.056 0.000 0.572 76 T N 1.042 115.773 114.554 0.295 0.000 2.907 76 T HA 0.901 5.511 4.350 0.106 -0.196 0.292 76 T C -1.556 173.227 174.700 0.138 0.000 1.043 76 T CA -0.704 61.486 62.100 0.151 0.000 1.003 76 T CB 3.147 72.052 68.868 0.062 0.000 1.084 76 T HN 0.494 8.940 8.240 0.343 0.000 0.483 77 V N 3.042 122.934 119.914 -0.036 0.000 2.623 77 V HA 0.327 4.475 4.120 -0.205 -0.150 0.304 77 V C -2.351 173.401 176.094 -0.571 0.000 1.054 77 V CA -1.135 60.958 62.300 -0.345 0.000 0.882 77 V CB 3.766 35.154 31.823 -0.725 0.000 1.002 77 V HN 0.446 8.598 8.190 -0.064 0.000 0.424 78 A N 5.002 127.574 122.820 -0.413 0.000 2.288 78 A HA 0.563 4.841 4.320 -0.250 -0.108 0.320 78 A C -0.063 177.317 177.584 -0.339 0.000 1.217 78 A CA -1.693 50.185 52.037 -0.265 0.000 0.840 78 A CB 1.807 20.767 19.000 -0.067 0.000 1.179 78 A HN 0.667 8.653 8.150 -0.274 0.000 0.504 79 W N 5.047 126.309 121.300 -0.062 0.000 1.564 79 W HA -0.066 4.358 4.660 -0.394 0.000 0.448 79 W C -1.399 175.177 176.519 0.096 0.000 0.601 79 W CA -1.324 55.925 57.345 -0.160 0.000 2.326 79 W CB -0.924 28.357 29.460 -0.298 0.000 1.355 79 W HN 0.584 8.751 8.180 -0.022 0.000 0.382 80 K N 0.990 121.607 120.400 0.361 0.000 2.427 80 K HA 0.761 5.467 4.320 0.281 -0.218 0.252 80 K C -1.704 175.073 176.600 0.294 0.000 0.931 80 K CA -1.266 55.189 56.287 0.281 0.000 0.793 80 K CB 3.150 35.720 32.500 0.118 0.000 1.211 80 K HN -0.344 7.986 8.250 0.287 0.092 0.426 81 N N 4.803 123.615 118.700 0.187 0.000 3.449 81 N HA 0.188 4.939 4.740 0.019 0.000 0.312 81 N C -1.077 174.440 175.510 0.011 0.000 1.582 81 N CA -0.751 52.311 53.050 0.020 0.000 0.850 81 N CB 0.959 39.274 38.487 -0.288 0.000 1.822 81 N HN 0.716 9.215 8.380 0.198 0.000 0.577 82 N N -1.404 117.259 118.700 -0.060 0.000 2.521 82 N HA 0.053 4.706 4.740 -0.145 0.000 0.188 82 N C -0.393 174.873 175.510 -0.407 0.000 1.146 82 N CA 1.655 54.563 53.050 -0.236 0.000 0.893 82 N CB -0.389 37.880 38.487 -0.363 0.000 0.975 82 N HN 0.088 8.449 8.380 -0.031 0.000 0.451 83 Y N -1.568 118.716 120.300 -0.026 0.000 2.472 83 Y HA 0.063 4.617 4.550 0.007 0.000 0.288 83 Y C -0.098 175.828 175.900 0.044 0.000 1.154 83 Y CA 1.825 59.928 58.100 0.005 0.000 1.238 83 Y CB 1.835 40.295 38.460 -0.000 0.000 1.287 83 Y HN -0.073 8.578 8.280 0.149 -0.281 0.524 84 R N -2.875 117.782 120.500 0.261 0.000 2.808 84 R HA 0.227 4.649 4.340 0.137 0.000 0.272 84 R C -2.452 173.962 176.300 0.189 0.000 0.995 84 R CA -1.203 55.022 56.100 0.208 0.000 0.917 84 R CB 4.271 34.722 30.300 0.252 0.000 1.217 84 R HN 0.219 9.073 8.270 0.301 -0.404 0.471 85 N N 0.734 119.471 118.700 0.062 0.000 2.609 85 N HA 0.285 5.182 4.740 0.009 -0.152 0.268 85 N C -1.250 174.110 175.510 -0.250 0.000 1.106 85 N CA -0.054 52.936 53.050 -0.100 0.000 0.823 85 N CB 0.703 39.059 38.487 -0.218 0.000 1.263 85 N HN 0.359 8.764 8.380 0.043 0.000 0.533 86 A N 1.859 124.618 122.820 -0.101 0.000 2.307 86 A HA 0.090 4.380 4.320 -0.050 0.000 0.218 86 A C 0.648 178.220 177.584 -0.020 0.000 1.228 86 A CA -0.106 51.893 52.037 -0.062 0.000 0.857 86 A CB 0.598 19.582 19.000 -0.028 0.000 0.897 86 A HN 0.779 8.955 8.150 0.042 0.000 0.495 87 H N -1.358 117.769 119.070 0.094 0.000 2.626 87 H HA -0.381 4.220 4.556 0.074 0.000 0.317 87 H C -1.963 173.403 175.328 0.063 0.000 1.140 87 H CA 1.141 57.230 56.048 0.068 0.000 1.134 87 H CB -2.868 26.917 29.762 0.038 0.000 1.486 87 H HN -0.115 8.061 8.280 -0.479 -0.184 0.417 88 S N -5.134 110.669 115.700 0.171 0.000 2.656 88 S HA 0.889 5.540 4.470 0.119 -0.109 0.273 88 S C -2.434 172.317 174.600 0.253 0.000 1.168 88 S CA -0.783 57.519 58.200 0.169 0.000 0.817 88 S CB 4.255 67.518 63.200 0.105 0.000 1.146 88 S HN -0.448 7.964 8.310 0.169 0.000 0.475 89 A N -1.941 121.001 122.820 0.203 0.000 2.574 89 A HA 0.758 5.202 4.320 -0.019 -0.135 0.297 89 A C -2.389 175.229 177.584 0.056 0.000 1.062 89 A CA -0.160 51.925 52.037 0.078 0.000 0.686 89 A CB 3.778 22.771 19.000 -0.011 0.000 1.285 89 A HN 0.630 8.863 8.150 0.138 0.000 0.403 90 T N 3.397 117.922 114.554 -0.049 0.000 2.863 90 T HA 1.069 5.509 4.350 -0.212 -0.217 0.285 90 T C -0.745 173.747 174.700 -0.347 0.000 1.009 90 T CA -1.259 60.679 62.100 -0.270 0.000 0.989 90 T CB 2.683 71.210 68.868 -0.569 0.000 1.004 90 T HN 0.837 8.965 8.240 -0.187 0.000 0.455 91 T N 1.400 115.733 114.554 -0.367 0.000 2.861 91 T HA 0.800 5.282 4.350 -0.111 -0.199 0.287 91 T C -1.366 173.133 174.700 -0.336 0.000 1.003 91 T CA -1.968 60.000 62.100 -0.220 0.000 0.977 91 T CB 2.594 71.398 68.868 -0.106 0.000 0.996 91 T HN 0.342 8.373 8.240 -0.347 0.000 0.448 92 W N 4.546 125.487 121.300 -0.597 0.000 2.587 92 W HA 0.429 5.087 4.660 -0.258 -0.153 0.324 92 W C -1.477 174.763 176.519 -0.465 0.000 1.040 92 W CA -1.410 55.556 57.345 -0.632 0.000 1.222 92 W CB 3.545 32.156 29.460 -1.415 0.000 1.381 92 W HN 0.825 8.876 8.180 -0.215 0.000 0.483 93 S N 1.862 117.548 115.700 -0.024 0.000 2.532 93 S HA 0.780 5.410 4.470 0.040 -0.136 0.299 93 S C -1.072 173.574 174.600 0.077 0.000 1.105 93 S CA -1.421 56.794 58.200 0.026 0.000 1.018 93 S CB 1.764 64.972 63.200 0.013 0.000 1.021 93 S HN 0.412 8.728 8.310 0.011 0.000 0.483 94 G N 3.202 112.073 108.800 0.118 0.000 2.435 94 G HA2 0.529 4.558 3.960 0.116 0.000 0.296 94 G HA3 0.529 4.732 3.960 0.180 -0.135 0.296 94 G C -3.478 171.519 174.900 0.161 0.000 1.240 94 G CA 0.898 46.085 45.100 0.145 0.000 0.872 94 G HN 0.555 8.924 8.290 0.131 0.000 0.480 95 Q N -3.169 116.733 119.800 0.169 0.000 2.418 95 Q HA 0.831 5.487 4.340 0.198 -0.197 0.282 95 Q C -2.585 173.532 176.000 0.195 0.000 1.044 95 Q CA -2.028 53.881 55.803 0.176 0.000 0.813 95 Q CB 4.455 33.271 28.738 0.130 0.000 1.428 95 Q HN -0.085 8.287 8.270 0.169 0.000 0.402 96 Y N 2.712 123.060 120.300 0.080 0.000 2.342 96 Y HA 0.700 5.441 4.550 0.044 -0.165 0.334 96 Y C -2.229 173.724 175.900 0.089 0.000 1.067 96 Y CA -1.611 56.524 58.100 0.058 0.000 1.128 96 Y CB 2.633 41.100 38.460 0.013 0.000 1.200 96 Y HN 0.513 8.865 8.280 0.310 0.114 0.464 97 V N 6.467 126.038 119.914 -0.571 0.000 2.577 97 V HA 0.293 4.247 4.120 -0.277 0.000 0.303 97 V C -1.494 174.184 176.094 -0.693 0.000 1.042 97 V CA -1.189 60.862 62.300 -0.415 0.000 0.872 97 V CB 3.208 34.947 31.823 -0.140 0.000 0.998 97 V HN 0.653 8.498 8.190 -0.576 0.000 0.423 98 G N 4.320 112.821 108.800 -0.498 0.000 2.887 98 G HA2 0.536 4.335 3.960 -0.270 0.000 0.277 98 G HA3 0.536 4.448 3.960 -0.081 0.000 0.277 98 G C -0.729 174.131 174.900 -0.067 0.000 1.346 98 G CA -1.750 43.196 45.100 -0.256 0.000 1.058 98 G HN 0.318 8.433 8.290 -0.291 0.000 0.535 99 G N -2.238 106.564 108.800 0.004 0.000 2.293 99 G HA2 -0.188 3.786 3.960 0.025 0.000 0.282 99 G HA3 -0.188 3.774 3.960 0.004 0.000 0.282 99 G C -1.236 173.675 174.900 0.018 0.000 1.299 99 G CA -0.515 44.594 45.100 0.014 0.000 1.018 99 G HN -0.160 8.154 8.290 0.039 0.000 0.478 100 A N -0.557 122.272 122.820 0.015 0.000 1.917 100 A HA -0.122 4.205 4.320 0.011 0.000 0.219 100 A C -0.020 177.572 177.584 0.014 0.000 1.182 100 A CA 1.789 53.833 52.037 0.013 0.000 0.633 100 A CB 0.231 19.238 19.000 0.011 0.000 0.819 100 A HN 0.163 8.321 8.150 0.014 0.000 0.448 101 E N -1.567 118.645 120.200 0.021 0.000 2.145 101 E HA 0.079 4.448 4.350 0.031 0.000 0.262 101 E C -2.073 174.556 176.600 0.048 0.000 0.883 101 E CA -0.935 55.486 56.400 0.036 0.000 0.748 101 E CB 0.271 29.996 29.700 0.041 0.000 1.140 101 E HN -0.352 8.013 8.360 0.018 0.005 0.417 102 A N 5.198 128.063 122.820 0.076 0.000 2.303 102 A HA 0.539 4.981 4.320 -0.006 -0.126 0.317 102 A C -0.956 176.812 177.584 0.307 0.000 1.149 102 A CA -0.925 51.179 52.037 0.112 0.000 0.822 102 A CB 1.919 21.032 19.000 0.188 0.000 1.131 102 A HN 0.380 8.566 8.150 0.059 0.000 0.493 103 R N -1.673 118.964 120.500 0.228 0.000 2.774 103 R HA 0.962 5.849 4.340 0.565 -0.208 0.272 103 R C -1.593 174.790 176.300 0.138 0.000 1.000 103 R CA -1.381 54.904 56.100 0.308 0.000 0.906 103 R CB 5.097 35.512 30.300 0.190 0.000 1.227 103 R HN 0.617 8.882 8.270 -0.008 0.000 0.468 104 I N 0.324 120.996 120.570 0.169 0.000 2.439 104 I HA 0.481 4.918 4.170 0.125 -0.192 0.283 104 I C -1.679 174.615 176.117 0.294 0.000 1.023 104 I CA -1.169 60.215 61.300 0.141 0.000 1.100 104 I CB 2.078 40.052 38.000 -0.044 0.000 1.238 104 I HN 0.129 8.517 8.210 0.297 0.000 0.445 105 N N 9.764 128.600 118.700 0.227 0.000 2.426 105 N HA 0.450 5.333 4.740 0.239 0.000 0.257 105 N C -0.780 174.873 175.510 0.238 0.000 1.002 105 N CA 0.172 53.351 53.050 0.215 0.000 0.942 105 N CB 2.135 40.703 38.487 0.134 0.000 1.112 105 N HN 0.183 8.670 8.380 0.177 0.000 0.499 106 T N 0.474 115.206 114.554 0.297 0.000 2.864 106 T HA 0.749 5.361 4.350 0.205 -0.139 0.289 106 T C -1.172 173.669 174.700 0.235 0.000 1.082 106 T CA -2.458 59.815 62.100 0.287 0.000 1.009 106 T CB 3.422 72.557 68.868 0.446 0.000 1.234 106 T HN 0.696 9.131 8.240 0.325 0.000 0.526 107 Q N -0.624 119.263 119.800 0.144 0.000 2.331 107 Q HA 0.708 5.176 4.340 -0.091 -0.182 0.272 107 Q C -1.563 174.412 176.000 -0.042 0.000 1.062 107 Q CA -0.799 54.988 55.803 -0.027 0.000 0.806 107 Q CB 4.712 33.412 28.738 -0.064 0.000 1.312 107 Q HN 0.042 8.394 8.270 0.136 0.000 0.431 108 W N -0.728 120.437 121.300 -0.224 0.000 2.929 108 W HA 1.013 5.563 4.660 -0.438 -0.153 0.345 108 W C -2.777 173.537 176.519 -0.342 0.000 1.151 108 W CA -3.097 53.975 57.345 -0.455 0.000 1.111 108 W CB 3.367 32.274 29.460 -0.922 0.000 1.449 108 W HN 0.851 8.483 8.180 -0.734 0.108 0.572 109 L N -0.876 120.376 121.223 0.048 0.000 2.409 109 L HA 0.715 5.257 4.340 0.009 -0.197 0.272 109 L C -1.833 175.073 176.870 0.060 0.000 0.980 109 L CA -1.140 53.717 54.840 0.028 0.000 0.826 109 L CB 3.026 45.056 42.059 -0.049 0.000 1.268 109 L HN 0.212 8.399 8.230 -0.071 0.000 0.407 110 L N 5.502 126.806 121.223 0.135 0.000 2.316 110 L HA 0.692 5.175 4.340 -0.046 -0.171 0.280 110 L C -1.778 175.098 176.870 0.009 0.000 1.006 110 L CA -1.550 53.306 54.840 0.026 0.000 0.836 110 L CB 2.807 44.868 42.059 0.004 0.000 1.221 110 L HN 0.772 9.109 8.230 0.178 0.000 0.418 111 T N 9.438 123.990 114.554 -0.002 0.000 2.797 111 T HA 0.623 5.167 4.350 -0.024 -0.208 0.279 111 T C -0.675 174.028 174.700 0.006 0.000 0.991 111 T CA -0.731 61.363 62.100 -0.009 0.000 0.979 111 T CB 1.693 70.555 68.868 -0.009 0.000 0.943 111 T HN 0.495 8.735 8.240 0.001 0.000 0.444 112 S N 5.601 121.293 115.700 -0.012 0.000 2.638 112 S HA 0.452 5.073 4.470 0.040 -0.127 0.298 112 S C -0.336 174.266 174.600 0.003 0.000 1.111 112 S CA -0.580 57.623 58.200 0.005 0.000 1.027 112 S CB 2.845 66.031 63.200 -0.024 0.000 1.064 112 S HN 0.253 8.542 8.310 -0.035 0.000 0.525 113 G N 1.044 109.862 108.800 0.030 0.000 2.339 113 G HA2 0.076 4.038 3.960 0.002 0.000 0.287 113 G HA3 0.076 4.048 3.960 0.020 0.000 0.287 113 G C -1.233 173.654 174.900 -0.022 0.000 1.163 113 G CA 0.178 45.283 45.100 0.008 0.000 0.872 113 G HN 0.279 8.611 8.290 0.070 0.000 0.464 114 T N 1.637 116.172 114.554 -0.033 0.000 2.858 114 T HA 0.299 4.621 4.350 -0.047 0.000 0.285 114 T C -0.724 173.958 174.700 -0.029 0.000 1.052 114 T CA -1.696 60.377 62.100 -0.044 0.000 1.009 114 T CB 2.523 71.350 68.868 -0.069 0.000 1.241 114 T HN -0.053 8.171 8.240 -0.027 0.000 0.542 115 T N -3.280 111.260 114.554 -0.022 0.000 2.881 115 T HA 0.141 4.486 4.350 -0.009 0.000 0.278 115 T C 1.194 175.900 174.700 0.009 0.000 0.982 115 T CA -1.375 60.721 62.100 -0.006 0.000 0.989 115 T CB 1.408 70.276 68.868 -0.000 0.000 1.058 115 T HN -0.110 8.114 8.240 -0.027 0.000 0.529 116 E N 1.179 121.391 120.200 0.021 0.000 2.097 116 E HA -0.433 3.937 4.350 0.035 0.000 0.196 116 E C 2.503 179.148 176.600 0.074 0.000 1.000 116 E CA 3.741 60.165 56.400 0.039 0.000 0.804 116 E CB -0.779 28.941 29.700 0.034 0.000 0.740 116 E HN 0.515 8.884 8.360 0.015 0.000 0.454 117 A N -0.710 122.154 122.820 0.074 0.000 1.948 117 A HA -0.221 4.174 4.320 0.126 0.000 0.220 117 A C 0.733 178.436 177.584 0.199 0.000 1.177 117 A CA 2.739 54.847 52.037 0.118 0.000 0.636 117 A CB -0.639 18.411 19.000 0.083 0.000 0.815 117 A HN 0.294 8.458 8.150 0.050 0.016 0.449 118 N N -4.114 114.641 118.700 0.091 0.000 2.203 118 N HA 0.121 4.861 4.740 -0.001 0.000 0.207 118 N C 0.838 176.249 175.510 -0.164 0.000 1.130 118 N CA -0.119 52.908 53.050 -0.038 0.000 0.861 118 N CB 0.738 39.174 38.487 -0.085 0.000 1.005 118 N HN -0.569 7.711 8.380 0.049 0.130 0.507 119 A N 1.746 124.557 122.820 -0.015 0.000 1.978 119 A HA -0.144 4.135 4.320 -0.068 0.000 0.220 119 A C 1.627 179.185 177.584 -0.044 0.000 1.170 119 A CA 2.931 54.952 52.037 -0.028 0.000 0.636 119 A CB -0.505 18.517 19.000 0.036 0.000 0.810 119 A HN -0.130 7.856 8.150 0.062 0.201 0.448 120 W N -4.905 116.390 121.300 -0.007 0.000 2.364 120 W HA -0.257 4.397 4.660 -0.011 0.000 0.281 120 W C -0.304 176.209 176.519 -0.011 0.000 1.219 120 W CA 0.798 58.138 57.345 -0.010 0.000 1.220 120 W CB -0.951 28.503 29.460 -0.010 0.000 1.127 120 W HN 0.106 8.432 8.180 0.273 0.017 0.556 121 K N -1.798 118.033 120.400 -0.947 0.000 3.010 121 K HA 0.404 4.388 4.320 -0.561 0.000 0.211 121 K C 0.073 176.407 176.600 -0.443 0.000 1.146 121 K CA -0.554 55.218 56.287 -0.858 0.000 1.070 121 K CB -0.448 31.152 32.500 -1.499 0.000 0.908 121 K HN -0.663 6.786 8.250 -1.114 0.133 0.463 122 S N -0.864 114.673 115.700 -0.272 0.000 2.486 122 S HA -0.048 4.318 4.470 -0.173 0.000 0.220 122 S C -0.482 174.053 174.600 -0.108 0.000 1.011 122 S CA 1.338 59.440 58.200 -0.163 0.000 0.921 122 S CB 1.002 64.139 63.200 -0.105 0.000 0.785 122 S HN -0.284 7.827 8.310 -0.231 0.061 0.517 123 T N 5.056 119.549 114.554 -0.101 0.000 2.772 123 T HA 0.555 5.118 4.350 -0.044 -0.239 0.288 123 T C -0.347 174.317 174.700 -0.059 0.000 0.994 123 T CA -0.131 61.931 62.100 -0.062 0.000 0.951 123 T CB 1.559 70.398 68.868 -0.049 0.000 0.933 123 T HN -0.648 7.483 8.240 -0.121 0.036 0.447 124 L N 7.017 128.229 121.223 -0.018 0.000 2.379 124 L HA 0.491 4.792 4.340 -0.064 0.000 0.269 124 L C -1.228 175.587 176.870 -0.091 0.000 1.084 124 L CA -0.645 54.188 54.840 -0.011 0.000 0.802 124 L CB 2.031 44.166 42.059 0.127 0.000 1.175 124 L HN 0.633 8.869 8.230 0.010 0.000 0.448 125 V N 0.172 119.884 119.914 -0.336 0.000 2.876 125 V HA 0.950 4.885 4.120 -0.651 -0.206 0.312 125 V C -1.519 173.880 176.094 -1.160 0.000 1.085 125 V CA -2.545 59.373 62.300 -0.636 0.000 0.945 125 V CB 3.796 35.406 31.823 -0.355 0.000 1.017 125 V HN 0.018 8.033 8.190 -0.291 0.000 0.428 126 G N 4.289 111.992 108.800 -1.828 0.000 2.619 126 G HA2 0.268 3.708 3.960 -0.867 0.000 0.305 126 G HA3 0.268 2.904 3.960 -2.207 0.000 0.305 126 G C -3.297 170.856 174.900 -1.245 0.000 1.330 126 G CA 0.302 44.398 45.100 -1.674 0.000 0.789 126 G HN -0.160 7.093 8.290 -1.728 0.000 0.487 127 H N -4.007 114.735 119.070 -0.547 0.000 2.894 127 H HA 0.413 4.979 4.556 -0.134 -0.091 0.367 127 H C -1.829 173.618 175.328 0.199 0.000 1.144 127 H CA -1.549 54.423 56.048 -0.127 0.000 1.180 127 H CB 3.399 33.104 29.762 -0.095 0.000 1.758 127 H HN 0.050 7.861 8.280 -0.782 0.000 0.541 128 D N 1.819 122.448 120.400 0.381 0.000 2.671 128 D HA 0.350 5.201 4.640 0.117 -0.141 0.232 128 D C -1.507 174.856 176.300 0.104 0.000 1.114 128 D CA -0.332 53.789 54.000 0.201 0.000 0.858 128 D CB 4.776 45.668 40.800 0.153 0.000 1.544 128 D HN 0.053 8.573 8.370 0.430 0.107 0.471 129 T N 4.086 118.614 114.554 -0.043 0.000 2.812 129 T HA 0.678 5.307 4.350 0.185 -0.167 0.282 129 T C -1.121 173.550 174.700 -0.048 0.000 0.990 129 T CA -0.273 61.867 62.100 0.066 0.000 0.960 129 T CB 1.821 70.759 68.868 0.116 0.000 0.948 129 T HN 0.589 9.129 8.240 -0.096 -0.358 0.438 130 F N 6.517 126.621 119.950 0.255 0.000 2.492 130 F HA 0.914 5.878 4.527 0.352 -0.225 0.327 130 F C -0.182 175.914 175.800 0.494 0.000 1.079 130 F CA -1.669 56.537 58.000 0.344 0.000 0.967 130 F CB 3.740 42.901 39.000 0.268 0.000 1.169 130 F HN 0.796 9.371 8.300 0.459 0.000 0.472 131 T N -3.671 111.334 114.554 0.751 0.000 2.841 131 T HA 0.584 5.508 4.350 0.711 -0.148 0.296 131 T C 0.101 175.077 174.700 0.459 0.000 1.166 131 T CA -1.893 60.560 62.100 0.589 0.000 1.007 131 T CB 3.512 72.568 68.868 0.313 0.000 1.253 131 T HN 0.705 9.367 8.240 0.703 0.000 0.511 132 K N 0.800 121.238 120.400 0.063 0.000 2.417 132 K HA 0.224 4.626 4.320 -0.109 -0.148 0.196 132 K C -1.102 175.567 176.600 0.115 0.000 1.023 132 K CA 0.742 56.958 56.287 -0.118 0.000 1.122 132 K CB 0.438 32.667 32.500 -0.453 0.000 0.850 132 K HN 0.586 8.848 8.250 0.019 0.000 0.521 133 V N 0.000 120.007 119.914 0.155 0.000 2.409 133 V HA 0.000 4.135 4.120 0.026 0.000 0.244 133 V CA 0.000 62.343 62.300 0.071 0.000 1.235 133 V CB 0.000 31.855 31.823 0.053 0.000 1.184 133 V HN 0.000 8.200 8.190 0.188 0.102 0.556