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_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 4.585 4.320 0.441 0.000 0.244 13 A C 0.000 177.641 177.584 0.094 0.000 1.274 13 A CA 0.000 52.205 52.037 0.280 0.000 0.836 13 A CB 0.000 19.116 19.000 0.194 0.000 0.831 14 E N -0.743 119.484 120.200 0.045 0.000 3.611 14 E HA -0.558 3.813 4.350 0.035 0.000 0.285 14 E C 1.489 177.981 176.600 -0.180 0.000 1.520 14 E CA 1.260 57.653 56.400 -0.011 0.000 2.203 14 E CB -0.433 29.311 29.700 0.073 0.000 2.008 14 E HN 0.418 8.850 8.360 0.119 0.000 0.455 15 A N 1.436 124.188 122.820 -0.114 0.000 1.670 15 A HA -0.477 3.764 4.320 -0.132 0.000 0.312 15 A C 1.996 179.476 177.584 -0.174 0.000 3.495 15 A CA 2.846 54.809 52.037 -0.124 0.000 0.917 15 A CB -0.567 18.402 19.000 -0.051 0.000 0.783 15 A HN 0.512 8.636 8.150 -0.043 0.000 0.530 16 G N -2.491 106.234 108.800 -0.125 0.000 2.657 16 G HA2 -0.432 3.536 3.960 0.013 0.000 0.224 16 G HA3 -0.432 3.573 3.960 0.074 0.000 0.224 16 G C 1.334 176.143 174.900 -0.151 0.000 1.086 16 G CA 1.871 46.937 45.100 -0.055 0.000 0.730 16 G HN 0.036 8.278 8.290 -0.066 0.008 0.602 17 I N 1.234 121.520 120.570 -0.473 0.000 2.315 17 I HA -0.367 3.659 4.170 -0.240 0.000 0.248 17 I C 0.201 176.274 176.117 -0.073 0.000 1.117 17 I CA 2.757 63.822 61.300 -0.392 0.000 1.404 17 I CB -0.098 37.488 38.000 -0.691 0.000 1.071 17 I HN -0.356 7.460 8.210 -0.552 0.062 0.419 18 T N 1.634 116.078 114.554 -0.183 0.000 2.934 18 T HA -0.361 4.036 4.350 -0.218 -0.178 0.306 18 T C -0.184 174.450 174.700 -0.110 0.000 1.042 18 T CA 3.236 65.238 62.100 -0.163 0.000 1.145 18 T CB -0.038 68.730 68.868 -0.168 0.000 0.982 18 T HN -0.204 7.781 8.240 -0.251 0.104 0.544 19 G N 3.841 112.542 108.800 -0.165 0.000 2.340 19 G HA2 -0.180 3.642 3.960 -0.230 0.000 0.282 19 G HA3 -0.180 3.574 3.960 -0.345 0.000 0.282 19 G C -3.178 171.537 174.900 -0.309 0.000 1.312 19 G CA -0.023 44.921 45.100 -0.259 0.000 0.942 19 G HN -0.083 8.083 8.290 -0.206 0.000 0.495 20 T N 2.061 116.368 114.554 -0.413 0.000 2.779 20 T HA 0.819 5.149 4.350 -0.342 -0.186 0.280 20 T C -0.980 173.402 174.700 -0.530 0.000 0.987 20 T CA 0.592 62.452 62.100 -0.401 0.000 0.966 20 T CB 1.267 69.934 68.868 -0.335 0.000 0.933 20 T HN 0.028 8.011 8.240 -0.430 0.000 0.442 21 W N 5.304 126.366 121.300 -0.397 0.000 2.781 21 W HA 0.469 5.289 4.660 0.018 -0.149 0.345 21 W C -1.756 174.624 176.519 -0.232 0.000 1.085 21 W CA -1.365 55.905 57.345 -0.125 0.000 1.198 21 W CB 3.658 33.168 29.460 0.084 0.000 1.423 21 W HN 0.926 9.010 8.180 -0.160 0.000 0.532 22 Y N -2.281 118.327 120.300 0.513 0.000 2.512 22 Y HA 0.903 5.882 4.550 0.351 -0.218 0.348 22 Y C -0.869 175.289 175.900 0.429 0.000 0.990 22 Y CA -1.927 56.402 58.100 0.381 0.000 1.033 22 Y CB 3.732 42.307 38.460 0.191 0.000 1.259 22 Y HN 1.081 9.680 8.280 0.702 0.103 0.461 23 N N 0.112 119.057 118.700 0.408 0.000 2.525 23 N HA 0.676 5.592 4.740 -0.033 -0.195 0.288 23 N C 2.015 177.572 175.510 0.079 0.000 1.242 23 N CA -2.961 50.092 53.050 0.004 0.000 0.905 23 N CB 2.097 40.319 38.487 -0.442 0.000 1.258 23 N HN -0.044 8.577 8.380 0.402 0.000 0.551 24 Q N 0.560 120.363 119.800 0.005 0.000 2.173 24 Q HA -0.326 4.047 4.340 0.055 0.000 0.208 24 Q C 0.654 176.682 176.000 0.047 0.000 0.989 24 Q CA 3.058 58.882 55.803 0.035 0.000 0.872 24 Q CB -0.736 28.009 28.738 0.013 0.000 0.909 24 Q HN 0.216 8.441 8.270 -0.074 0.000 0.420 25 L N -2.513 118.739 121.223 0.049 0.000 2.291 25 L HA 0.047 4.416 4.340 0.047 0.000 0.214 25 L C 0.972 177.893 176.870 0.085 0.000 1.120 25 L CA 0.393 55.269 54.840 0.061 0.000 0.799 25 L CB 0.059 42.159 42.059 0.068 0.000 0.925 25 L HN -0.525 7.811 8.230 0.031 -0.087 0.446 26 G N -3.834 105.039 108.800 0.122 0.000 2.138 26 G HA2 -0.296 3.775 3.960 0.185 0.000 0.193 26 G HA3 -0.296 3.731 3.960 0.111 0.000 0.193 26 G C -0.372 174.645 174.900 0.195 0.000 0.998 26 G CA -0.383 44.810 45.100 0.156 0.000 0.668 26 G HN -0.104 8.317 8.290 0.130 -0.053 0.516 27 S N 1.552 117.367 115.700 0.191 0.000 2.584 27 S HA 0.378 4.986 4.470 0.113 -0.070 0.273 27 S C -0.708 173.932 174.600 0.066 0.000 1.311 27 S CA 0.524 58.799 58.200 0.125 0.000 1.034 27 S CB 1.289 64.614 63.200 0.208 0.000 0.939 27 S HN -0.046 8.761 8.310 0.190 -0.383 0.513 28 T N 5.179 119.661 114.554 -0.120 0.000 2.829 28 T HA 0.707 5.088 4.350 -0.260 -0.187 0.280 28 T C -1.649 172.841 174.700 -0.351 0.000 0.999 28 T CA -0.246 61.714 62.100 -0.233 0.000 0.983 28 T CB 2.078 70.830 68.868 -0.194 0.000 0.968 28 T HN 0.658 8.813 8.240 -0.142 0.000 0.446 29 F N 8.055 127.714 119.950 -0.486 0.000 2.493 29 F HA 0.743 5.134 4.527 -0.481 -0.153 0.329 29 F C -3.006 172.600 175.800 -0.324 0.000 1.126 29 F CA -2.731 54.980 58.000 -0.482 0.000 0.937 29 F CB 3.596 42.226 39.000 -0.618 0.000 1.146 29 F HN 0.736 8.921 8.300 -0.191 0.000 0.442 30 I N 8.122 128.430 120.570 -0.436 0.000 2.382 30 I HA 0.560 4.652 4.170 -0.421 -0.175 0.286 30 I C -1.719 174.048 176.117 -0.584 0.000 1.002 30 I CA -1.204 59.836 61.300 -0.433 0.000 1.135 30 I CB 1.520 39.367 38.000 -0.255 0.000 1.288 30 I HN 0.678 8.712 8.210 -0.292 0.000 0.448 31 V N 3.790 123.303 119.914 -0.669 0.000 3.040 31 V HA 0.922 4.916 4.120 -0.513 -0.182 0.312 31 V C -1.102 174.763 176.094 -0.382 0.000 1.115 31 V CA -2.913 59.012 62.300 -0.624 0.000 0.998 31 V CB 3.293 34.557 31.823 -0.930 0.000 1.042 31 V HN 0.712 8.561 8.190 -0.568 0.000 0.433 32 T N 3.580 117.952 114.554 -0.305 0.000 2.840 32 T HA 0.283 4.506 4.350 -0.213 0.000 0.287 32 T C -1.934 172.643 174.700 -0.205 0.000 0.991 32 T CA -0.549 61.422 62.100 -0.214 0.000 0.964 32 T CB 2.000 70.778 68.868 -0.149 0.000 0.954 32 T HN 0.500 8.557 8.240 -0.305 0.000 0.438 33 A N 7.315 129.998 122.820 -0.229 0.000 2.260 33 A HA 0.763 5.171 4.320 -0.177 -0.194 0.314 33 A C -0.645 176.913 177.584 -0.044 0.000 1.257 33 A CA -1.932 49.953 52.037 -0.252 0.000 0.871 33 A CB 1.351 19.965 19.000 -0.643 0.000 1.166 33 A HN 0.013 8.026 8.150 -0.229 0.000 0.522 34 G N 1.430 110.297 108.800 0.112 0.000 2.420 34 G HA2 0.157 4.143 3.960 0.042 0.000 0.284 34 G HA3 0.157 4.167 3.960 0.083 0.000 0.284 34 G C 0.273 175.283 174.900 0.184 0.000 1.177 34 G CA -1.221 43.941 45.100 0.103 0.000 0.841 34 G HN 0.480 8.754 8.290 0.172 0.119 0.527 35 A N 1.205 124.085 122.820 0.101 0.000 2.042 35 A HA -0.268 4.131 4.320 0.132 0.000 0.222 35 A C 0.079 177.692 177.584 0.048 0.000 1.167 35 A CA 2.285 54.376 52.037 0.091 0.000 0.649 35 A CB -0.171 18.853 19.000 0.040 0.000 0.809 35 A HN 0.443 8.627 8.150 0.058 0.000 0.457 36 D N -5.640 114.769 120.400 0.016 0.000 2.388 36 D HA -0.083 4.514 4.640 -0.072 0.000 0.221 36 D C -0.701 175.508 176.300 -0.151 0.000 1.133 36 D CA -0.280 53.686 54.000 -0.057 0.000 0.831 36 D CB 0.473 41.254 40.800 -0.032 0.000 0.962 36 D HN -0.444 7.903 8.370 0.039 0.047 0.502 37 G N -2.484 106.152 108.800 -0.274 0.000 2.184 37 G HA2 -0.360 2.984 3.960 -1.401 0.000 0.206 37 G HA3 -0.360 3.371 3.960 -0.380 0.000 0.206 37 G C -1.795 173.056 174.900 -0.081 0.000 0.995 37 G CA 0.068 44.861 45.100 -0.511 0.000 0.651 37 G HN -0.194 7.963 8.290 -0.132 0.053 0.511 38 A N -0.474 122.415 122.820 0.115 0.000 2.279 38 A HA 0.462 4.849 4.320 0.111 0.000 0.303 38 A C -1.877 175.830 177.584 0.205 0.000 1.108 38 A CA -1.459 50.663 52.037 0.141 0.000 0.830 38 A CB 2.499 21.541 19.000 0.070 0.000 1.106 38 A HN -0.756 7.461 8.150 0.111 0.000 0.493 39 L N 1.482 122.777 121.223 0.120 0.000 2.409 39 L HA 0.955 5.470 4.340 -0.042 -0.200 0.272 39 L C -0.951 175.906 176.870 -0.022 0.000 0.980 39 L CA -0.802 54.052 54.840 0.024 0.000 0.826 39 L CB 4.330 46.431 42.059 0.070 0.000 1.268 39 L HN -0.220 8.073 8.230 0.106 0.000 0.407 40 T N 0.659 115.158 114.554 -0.093 0.000 2.916 40 T HA 0.783 5.264 4.350 -0.052 -0.163 0.305 40 T C -1.060 173.549 174.700 -0.153 0.000 1.119 40 T CA -1.971 60.079 62.100 -0.084 0.000 1.008 40 T CB 3.437 72.273 68.868 -0.054 0.000 1.129 40 T HN 0.301 8.457 8.240 -0.140 0.000 0.480 41 G N -0.111 108.614 108.800 -0.125 0.000 2.360 41 G HA2 0.275 4.149 3.960 -0.143 0.000 0.276 41 G HA3 0.275 4.315 3.960 -0.258 -0.235 0.276 41 G C -2.618 172.236 174.900 -0.075 0.000 1.256 41 G CA 0.978 45.984 45.100 -0.157 0.000 0.890 41 G HN -0.297 7.948 8.290 -0.075 0.000 0.486 42 T N -2.212 112.302 114.554 -0.067 0.000 2.883 42 T HA 0.903 5.461 4.350 0.081 -0.160 0.296 42 T C -2.616 172.159 174.700 0.125 0.000 1.117 42 T CA -2.112 60.013 62.100 0.041 0.000 1.006 42 T CB 3.715 72.594 68.868 0.017 0.000 1.191 42 T HN 0.091 8.247 8.240 -0.140 0.000 0.508 43 Y N 0.969 121.339 120.300 0.117 0.000 2.406 43 Y HA 0.561 5.383 4.550 0.172 -0.169 0.340 43 Y C -2.505 173.597 175.900 0.337 0.000 0.975 43 Y CA -1.495 56.728 58.100 0.205 0.000 1.056 43 Y CB 4.268 42.835 38.460 0.178 0.000 1.210 43 Y HN 0.720 9.191 8.280 0.319 0.000 0.448 44 E N 8.437 128.715 120.200 0.129 0.000 2.191 44 E HA 0.649 5.485 4.350 0.460 -0.210 0.263 44 E C -1.837 174.904 176.600 0.236 0.000 0.881 44 E CA -2.024 54.534 56.400 0.263 0.000 0.757 44 E CB 3.878 33.648 29.700 0.117 0.000 1.147 44 E HN 0.628 8.840 8.360 -0.247 0.000 0.414 45 S N 6.678 122.642 115.700 0.440 0.000 2.693 45 S HA 0.426 5.127 4.470 0.385 0.000 0.276 45 S C -0.553 174.157 174.600 0.183 0.000 1.192 45 S CA -1.565 56.846 58.200 0.352 0.000 0.994 45 S CB 1.127 64.466 63.200 0.231 0.000 1.012 45 S HN 0.359 9.003 8.310 0.557 0.000 0.550 46 A N 2.734 125.632 122.820 0.131 0.000 2.324 46 A HA 0.278 4.648 4.320 0.083 0.000 0.220 46 A C -0.733 176.870 177.584 0.031 0.000 1.209 46 A CA 0.342 52.427 52.037 0.081 0.000 0.918 46 A CB 1.137 20.186 19.000 0.082 0.000 0.959 46 A HN 0.061 8.302 8.150 0.152 0.000 0.507 47 V N -5.266 114.642 119.914 -0.009 0.000 3.160 47 V HA 0.428 4.519 4.120 -0.048 0.000 0.310 47 V C -0.516 175.467 176.094 -0.184 0.000 1.181 47 V CA -1.820 60.435 62.300 -0.074 0.000 1.047 47 V CB 2.911 34.693 31.823 -0.069 0.000 1.068 47 V HN -0.625 7.522 8.190 0.003 0.044 0.441 48 G N 2.078 110.763 108.800 -0.192 0.000 2.685 48 G HA2 -0.268 3.538 3.960 -0.257 0.000 0.387 48 G HA3 -0.268 3.406 3.960 -0.477 0.000 0.387 48 G C -0.757 174.021 174.900 -0.202 0.000 1.324 48 G CA -0.357 44.570 45.100 -0.289 0.000 0.878 48 G HN 0.293 8.503 8.290 -0.132 0.000 0.527 49 N N 1.581 120.154 118.700 -0.211 0.000 3.331 49 N HA 0.070 4.785 4.740 -0.042 0.000 0.303 49 N C -1.785 173.691 175.510 -0.056 0.000 1.326 49 N CA -1.187 51.809 53.050 -0.089 0.000 1.207 49 N CB -1.631 36.816 38.487 -0.065 0.000 1.477 49 N HN 0.224 8.428 8.380 -0.293 0.000 0.541 50 A N -0.489 122.313 122.820 -0.031 0.000 2.350 50 A HA 0.372 4.884 4.320 0.319 0.000 0.318 50 A C -1.490 176.249 177.584 0.258 0.000 1.132 50 A CA -1.323 50.811 52.037 0.161 0.000 0.811 50 A CB 2.806 21.806 19.000 0.001 0.000 1.313 50 A HN -0.435 7.603 8.150 -0.057 0.078 0.454 51 E N 3.188 123.641 120.200 0.423 0.000 2.558 51 E HA 0.107 4.563 4.350 0.178 0.000 0.345 51 E C -1.537 175.174 176.600 0.185 0.000 0.928 51 E CA 0.424 56.969 56.400 0.241 0.000 0.774 51 E CB 1.497 31.309 29.700 0.186 0.000 1.462 51 E HN 0.260 9.070 8.360 0.749 0.000 0.387 52 S N 1.514 117.300 115.700 0.143 0.000 4.044 52 S HA -0.304 4.326 4.470 0.047 -0.132 0.637 52 S C -1.673 172.964 174.600 0.062 0.000 1.583 52 S CA 0.617 58.849 58.200 0.053 0.000 1.820 52 S CB 0.239 63.461 63.200 0.037 0.000 0.329 52 S HN 0.246 8.659 8.310 0.171 0.000 1.700 53 R N 1.367 121.852 120.500 -0.025 0.000 2.536 53 R HA 0.477 5.157 4.340 0.214 -0.211 0.279 53 R C -0.869 175.306 176.300 -0.207 0.000 1.001 53 R CA -1.041 55.080 56.100 0.036 0.000 1.027 53 R CB 1.195 31.517 30.300 0.036 0.000 1.096 53 R HN 0.056 8.314 8.270 -0.019 0.000 0.502 54 Y N -1.941 118.462 120.300 0.171 0.000 2.545 54 Y HA 0.163 4.755 4.550 0.071 0.000 0.348 54 Y C -0.641 175.283 175.900 0.040 0.000 1.002 54 Y CA -1.145 57.008 58.100 0.087 0.000 1.039 54 Y CB 2.998 41.474 38.460 0.027 0.000 1.271 54 Y HN 0.037 8.543 8.280 0.376 0.000 0.467 55 V N 0.805 120.801 119.914 0.138 0.000 2.834 55 V HA 0.126 4.413 4.120 0.060 -0.132 0.301 55 V C -0.457 175.675 176.094 0.064 0.000 1.066 55 V CA 0.318 62.660 62.300 0.070 0.000 1.052 55 V CB 0.460 32.302 31.823 0.032 0.000 1.021 55 V HN 0.714 8.984 8.190 0.134 0.000 0.480 56 L N -0.451 120.805 121.223 0.055 0.000 2.409 56 L HA 1.000 5.559 4.340 0.084 -0.168 0.262 56 L C -1.761 175.146 176.870 0.062 0.000 0.992 56 L CA -1.235 53.653 54.840 0.080 0.000 0.817 56 L CB 4.186 46.308 42.059 0.105 0.000 1.350 56 L HN 0.031 8.281 8.230 0.033 0.000 0.411 57 T N 1.047 115.667 114.554 0.110 0.000 2.916 57 T HA 0.696 5.251 4.350 0.054 -0.173 0.305 57 T C -1.470 173.333 174.700 0.172 0.000 1.119 57 T CA -1.581 60.574 62.100 0.091 0.000 1.008 57 T CB 2.380 71.284 68.868 0.059 0.000 1.129 57 T HN -0.104 8.233 8.240 0.162 0.000 0.480 58 G N 2.313 111.211 108.800 0.164 0.000 2.634 58 G HA2 0.695 4.783 3.960 0.215 0.000 0.309 58 G HA3 0.695 4.976 3.960 0.333 -0.122 0.309 58 G C -2.850 172.157 174.900 0.178 0.000 1.299 58 G CA 0.492 45.729 45.100 0.228 0.000 0.798 58 G HN 0.219 8.577 8.290 0.113 0.000 0.490 59 R N -3.306 117.316 120.500 0.204 0.000 2.707 59 R HA 1.092 5.736 4.340 0.168 -0.203 0.272 59 R C -1.800 174.642 176.300 0.237 0.000 1.011 59 R CA -2.127 54.072 56.100 0.167 0.000 0.893 59 R CB 4.734 35.081 30.300 0.080 0.000 1.233 59 R HN 0.053 8.469 8.270 0.243 0.000 0.464 60 Y N -2.228 118.103 120.300 0.052 0.000 2.615 60 Y HA 0.620 5.351 4.550 0.076 -0.136 0.341 60 Y C -2.032 173.890 175.900 0.037 0.000 1.089 60 Y CA -2.629 55.503 58.100 0.052 0.000 1.049 60 Y CB 2.675 41.150 38.460 0.026 0.000 1.296 60 Y HN 0.401 8.677 8.280 -0.005 0.000 0.470 61 D N 0.239 120.626 120.400 -0.021 0.000 2.344 61 D HA 0.083 4.625 4.640 -0.163 0.000 0.253 61 D C -0.231 175.955 176.300 -0.189 0.000 1.255 61 D CA -0.696 53.242 54.000 -0.102 0.000 0.894 61 D CB 0.511 41.335 40.800 0.039 0.000 1.067 61 D HN -0.100 8.387 8.370 0.195 0.000 0.492 62 S N 3.173 118.619 115.700 -0.423 0.000 2.701 62 S HA -0.176 4.253 4.470 -0.068 0.000 0.220 62 S C -0.618 173.960 174.600 -0.037 0.000 0.954 62 S CA 0.399 58.435 58.200 -0.273 0.000 0.936 62 S CB -0.213 62.749 63.200 -0.397 0.000 0.777 62 S HN 0.037 8.087 8.310 -0.433 0.000 0.518 63 A N 0.653 123.461 122.820 -0.020 0.000 3.453 63 A HA 0.381 4.721 4.320 0.034 0.000 0.262 63 A C -3.227 174.379 177.584 0.036 0.000 1.026 63 A CA -1.919 50.127 52.037 0.015 0.000 0.938 63 A CB 0.310 19.306 19.000 -0.006 0.000 1.246 63 A HN -0.174 8.024 8.150 -0.042 -0.073 0.546 64 P HA -0.074 4.609 4.420 0.071 -0.220 0.271 64 P C -0.484 176.853 177.300 0.063 0.000 1.233 64 P CA -0.538 62.611 63.100 0.081 0.000 0.789 64 P CB 0.795 32.569 31.700 0.123 0.000 0.951 65 A N -2.292 120.563 122.820 0.059 0.000 2.386 65 A HA 0.086 4.430 4.320 0.039 0.000 0.248 65 A C 0.434 178.048 177.584 0.051 0.000 1.082 65 A CA -0.543 51.522 52.037 0.047 0.000 0.789 65 A CB 0.966 19.991 19.000 0.042 0.000 1.025 65 A HN 0.108 8.296 8.150 0.064 0.000 0.490 66 T N -4.366 110.213 114.554 0.042 0.000 3.419 66 T HA -0.026 4.381 4.350 0.048 -0.028 0.228 66 T C -1.612 173.110 174.700 0.036 0.000 0.939 66 T CA -1.483 60.642 62.100 0.041 0.000 0.992 66 T CB -1.530 67.358 68.868 0.034 0.000 1.186 66 T HN -0.120 8.261 8.240 0.036 -0.119 0.612 67 D N -1.278 119.146 120.400 0.039 0.000 2.636 67 D HA -0.033 4.559 4.640 0.031 0.067 0.275 67 D C -0.876 175.447 176.300 0.038 0.000 1.130 67 D CA -1.728 52.292 54.000 0.034 0.000 1.031 67 D CB 1.946 42.764 40.800 0.030 0.000 1.451 67 D HN -0.217 10.040 8.370 0.046 -1.860 0.505 68 G N -2.283 106.537 108.800 0.033 0.000 3.008 68 G HA2 -0.066 3.916 3.960 0.037 0.000 0.272 68 G HA3 -0.066 3.911 3.960 0.028 0.000 0.272 68 G C -0.891 174.030 174.900 0.035 0.000 0.764 68 G CA 0.433 45.553 45.100 0.033 0.000 2.029 68 G HN -0.156 8.173 8.290 0.029 -0.021 0.587 69 S N 1.401 117.128 115.700 0.045 0.000 2.634 69 S HA 0.281 4.775 4.470 0.041 0.000 0.296 69 S C -0.416 174.222 174.600 0.064 0.000 1.104 69 S CA -1.580 56.650 58.200 0.050 0.000 0.920 69 S CB 3.737 66.967 63.200 0.051 0.000 1.111 69 S HN -0.141 8.158 8.310 0.051 0.042 0.493 70 G N -0.392 108.448 108.800 0.068 0.000 2.522 70 G HA2 0.337 4.383 3.960 0.083 0.000 0.304 70 G HA3 0.337 4.357 3.960 0.072 -0.017 0.304 70 G C -1.026 173.961 174.900 0.144 0.000 1.210 70 G CA -0.886 44.268 45.100 0.090 0.000 0.960 70 G HN -0.026 8.299 8.290 0.059 0.000 0.497 71 T N 3.613 118.300 114.554 0.222 0.000 2.743 71 T HA 0.142 4.607 4.350 0.192 0.000 0.292 71 T C -0.830 174.005 174.700 0.226 0.000 0.972 71 T CA 0.178 62.423 62.100 0.243 0.000 0.967 71 T CB 0.822 69.889 68.868 0.331 0.000 0.926 71 T HN 0.336 8.621 8.240 0.264 0.113 0.459 72 A N 9.320 132.245 122.820 0.175 0.000 2.477 72 A HA 0.492 5.110 4.320 0.156 -0.205 0.246 72 A C -1.312 176.391 177.584 0.198 0.000 1.078 72 A CA 0.013 52.145 52.037 0.159 0.000 0.770 72 A CB 0.887 19.954 19.000 0.111 0.000 1.011 72 A HN 0.799 9.039 8.150 0.150 0.000 0.494 73 L N -3.776 117.572 121.223 0.208 0.000 2.720 73 L HA 1.111 5.731 4.340 0.242 -0.136 0.261 73 L C -1.481 175.537 176.870 0.246 0.000 1.046 73 L CA -1.574 53.420 54.840 0.256 0.000 0.886 73 L CB 3.288 45.530 42.059 0.306 0.000 1.493 73 L HN 0.220 8.563 8.230 0.188 0.000 0.407 74 G N -3.396 105.581 108.800 0.295 0.000 2.673 74 G HA2 0.712 4.901 3.960 0.145 0.000 0.292 74 G HA3 0.712 4.755 3.960 0.137 0.000 0.292 74 G C -3.446 171.684 174.900 0.383 0.000 1.450 74 G CA 0.770 46.007 45.100 0.228 0.000 0.837 74 G HN -0.026 8.459 8.290 0.326 0.000 0.505 75 W N -2.925 118.450 121.300 0.125 0.000 3.066 75 W HA 0.670 5.465 4.660 0.078 -0.088 0.330 75 W C -3.190 173.425 176.519 0.160 0.000 1.253 75 W CA -1.517 55.886 57.345 0.095 0.000 1.187 75 W CB 2.154 31.632 29.460 0.030 0.000 1.434 75 W HN 0.562 8.696 8.180 -0.077 0.000 0.572 76 T N 1.784 116.525 114.554 0.311 0.000 2.893 76 T HA 0.908 5.528 4.350 0.115 -0.201 0.291 76 T C -1.420 173.368 174.700 0.148 0.000 1.028 76 T CA -0.781 61.415 62.100 0.159 0.000 0.995 76 T CB 3.249 72.149 68.868 0.054 0.000 1.051 76 T HN 0.672 9.123 8.240 0.352 0.000 0.470 77 V N 3.490 123.381 119.914 -0.039 0.000 2.623 77 V HA 0.326 4.461 4.120 -0.204 -0.138 0.304 77 V C -2.294 173.421 176.094 -0.631 0.000 1.054 77 V CA -1.723 60.365 62.300 -0.353 0.000 0.882 77 V CB 3.386 34.781 31.823 -0.713 0.000 1.002 77 V HN 0.510 8.649 8.190 -0.084 0.000 0.424 78 A N 6.008 128.554 122.820 -0.457 0.000 2.301 78 A HA 0.455 4.649 4.320 -0.364 -0.092 0.312 78 A C -0.236 177.059 177.584 -0.483 0.000 1.182 78 A CA -1.560 50.266 52.037 -0.353 0.000 0.826 78 A CB 1.876 20.801 19.000 -0.125 0.000 1.134 78 A HN 0.670 8.642 8.150 -0.296 0.000 0.501 79 W N 4.842 126.054 121.300 -0.147 0.000 1.395 79 W HA 0.011 4.267 4.660 -0.672 0.000 0.451 79 W C -1.729 174.770 176.519 -0.034 0.000 0.619 79 W CA -0.717 56.445 57.345 -0.306 0.000 2.212 79 W CB -0.703 28.552 29.460 -0.341 0.000 1.537 79 W HN 0.791 8.772 8.180 -0.152 0.108 0.275 80 K N 1.324 121.889 120.400 0.275 0.000 2.507 80 K HA 0.731 5.414 4.320 0.251 -0.213 0.251 80 K C -1.739 175.028 176.600 0.279 0.000 0.943 80 K CA -1.202 55.232 56.287 0.246 0.000 0.794 80 K CB 3.071 35.606 32.500 0.059 0.000 1.188 80 K HN -0.233 8.057 8.250 0.201 0.081 0.428 81 N N 5.293 124.080 118.700 0.145 0.000 3.418 81 N HA 0.246 4.928 4.740 -0.096 0.000 0.316 81 N C -0.748 174.594 175.510 -0.279 0.000 1.601 81 N CA -1.042 51.930 53.050 -0.130 0.000 0.805 81 N CB 0.901 39.134 38.487 -0.424 0.000 1.873 81 N HN 0.862 9.335 8.380 0.156 0.000 0.615 82 N N -1.671 116.665 118.700 -0.607 0.000 2.512 82 N HA -0.005 4.483 4.740 -0.420 0.000 0.183 82 N C -0.013 174.986 175.510 -0.851 0.000 1.073 82 N CA 2.121 54.694 53.050 -0.795 0.000 0.911 82 N CB -0.364 37.513 38.487 -1.016 0.000 0.964 82 N HN 0.182 8.171 8.380 -0.651 0.000 0.447 83 Y N -2.864 117.425 120.300 -0.018 0.000 2.522 83 Y HA 0.088 4.643 4.550 0.009 0.000 0.277 83 Y C 0.006 175.934 175.900 0.046 0.000 1.104 83 Y CA 1.066 59.170 58.100 0.007 0.000 1.260 83 Y CB 1.329 39.783 38.460 -0.010 0.000 1.151 83 Y HN -0.207 7.873 8.280 -0.736 -0.242 0.539 84 R N -3.249 117.346 120.500 0.158 0.000 2.774 84 R HA 0.361 4.776 4.340 0.125 0.000 0.272 84 R C -2.826 173.564 176.300 0.150 0.000 1.000 84 R CA -1.286 54.918 56.100 0.174 0.000 0.906 84 R CB 4.199 34.653 30.300 0.256 0.000 1.227 84 R HN 0.305 9.036 8.270 0.112 -0.395 0.468 85 N N 1.591 120.326 118.700 0.059 0.000 2.640 85 N HA 0.336 5.226 4.740 -0.012 -0.156 0.262 85 N C -0.562 174.851 175.510 -0.163 0.000 1.174 85 N CA -0.114 52.877 53.050 -0.098 0.000 0.791 85 N CB -0.145 38.178 38.487 -0.274 0.000 1.279 85 N HN 0.333 8.748 8.380 0.058 0.000 0.535 86 A N 3.896 126.707 122.820 -0.015 0.000 2.206 86 A HA -0.061 4.286 4.320 0.045 0.000 0.211 86 A C 0.173 177.796 177.584 0.064 0.000 1.158 86 A CA 0.595 52.647 52.037 0.025 0.000 0.761 86 A CB 0.252 19.261 19.000 0.015 0.000 0.801 86 A HN 0.730 8.934 8.150 0.089 0.000 0.473 87 H N -4.417 114.708 119.070 0.091 0.000 2.756 87 H HA -0.314 4.278 4.556 0.061 0.000 0.315 87 H C -2.031 173.334 175.328 0.061 0.000 1.210 87 H CA 1.035 57.120 56.048 0.061 0.000 1.150 87 H CB -2.966 26.817 29.762 0.034 0.000 1.463 87 H HN -0.235 8.038 8.280 -0.252 -0.144 0.427 88 S N -4.912 110.889 115.700 0.168 0.000 2.638 88 S HA 0.968 5.626 4.470 0.118 -0.117 0.274 88 S C -2.393 172.332 174.600 0.209 0.000 1.157 88 S CA -1.402 56.904 58.200 0.176 0.000 0.826 88 S CB 4.349 67.641 63.200 0.155 0.000 1.139 88 S HN -0.398 8.006 8.310 0.157 0.000 0.474 89 A N -1.272 121.638 122.820 0.150 0.000 2.549 89 A HA 0.819 5.145 4.320 -0.223 -0.140 0.297 89 A C -2.375 175.193 177.584 -0.027 0.000 1.061 89 A CA -0.365 51.652 52.037 -0.034 0.000 0.690 89 A CB 3.809 22.767 19.000 -0.071 0.000 1.287 89 A HN 0.586 8.808 8.150 0.120 0.000 0.402 90 T N 3.589 118.040 114.554 -0.171 0.000 2.863 90 T HA 1.033 5.429 4.350 -0.246 -0.194 0.285 90 T C -0.811 173.624 174.700 -0.442 0.000 1.009 90 T CA -1.085 60.810 62.100 -0.343 0.000 0.989 90 T CB 2.687 71.197 68.868 -0.596 0.000 1.004 90 T HN 0.830 8.858 8.240 -0.355 0.000 0.455 91 T N 1.636 115.926 114.554 -0.440 0.000 2.861 91 T HA 0.788 5.236 4.350 -0.144 -0.185 0.287 91 T C -1.433 173.038 174.700 -0.382 0.000 1.003 91 T CA -1.986 59.954 62.100 -0.267 0.000 0.977 91 T CB 2.684 71.476 68.868 -0.126 0.000 0.996 91 T HN 0.690 8.691 8.240 -0.398 0.000 0.448 92 W N 4.179 125.133 121.300 -0.577 0.000 2.632 92 W HA 0.481 5.151 4.660 -0.241 -0.155 0.328 92 W C -1.461 174.780 176.519 -0.464 0.000 1.044 92 W CA -1.489 55.493 57.345 -0.605 0.000 1.225 92 W CB 3.743 32.410 29.460 -1.321 0.000 1.396 92 W HN 0.931 8.992 8.180 -0.198 0.000 0.499 93 S N 1.324 117.006 115.700 -0.030 0.000 2.521 93 S HA 0.792 5.413 4.470 0.029 -0.134 0.295 93 S C -1.127 173.512 174.600 0.066 0.000 1.098 93 S CA -1.408 56.801 58.200 0.016 0.000 0.999 93 S CB 1.809 65.013 63.200 0.007 0.000 1.034 93 S HN 0.449 8.766 8.310 0.011 0.000 0.483 94 G N 2.885 111.747 108.800 0.104 0.000 2.364 94 G HA2 0.460 4.482 3.960 0.103 0.000 0.286 94 G HA3 0.460 4.685 3.960 0.160 -0.169 0.286 94 G C -3.494 171.495 174.900 0.150 0.000 1.241 94 G CA 0.948 46.126 45.100 0.130 0.000 0.887 94 G HN 0.330 8.689 8.290 0.116 0.000 0.484 95 Q N -3.439 116.456 119.800 0.158 0.000 2.418 95 Q HA 0.769 5.402 4.340 0.195 -0.176 0.282 95 Q C -2.551 173.556 176.000 0.178 0.000 1.044 95 Q CA -2.004 53.900 55.803 0.168 0.000 0.813 95 Q CB 4.386 33.199 28.738 0.125 0.000 1.428 95 Q HN -0.086 8.278 8.270 0.156 0.000 0.402 96 Y N 2.308 122.655 120.300 0.079 0.000 2.361 96 Y HA 0.641 5.364 4.550 0.030 -0.155 0.332 96 Y C -2.271 173.682 175.900 0.088 0.000 1.101 96 Y CA -1.578 56.553 58.100 0.052 0.000 1.137 96 Y CB 2.798 41.263 38.460 0.009 0.000 1.207 96 Y HN 0.789 9.127 8.280 0.304 0.125 0.463 97 V N 5.840 125.282 119.914 -0.786 0.000 2.623 97 V HA 0.260 4.160 4.120 -0.366 0.000 0.304 97 V C -1.634 173.986 176.094 -0.789 0.000 1.054 97 V CA -1.013 60.964 62.300 -0.539 0.000 0.882 97 V CB 3.992 35.700 31.823 -0.191 0.000 1.002 97 V HN 0.371 8.052 8.190 -0.848 0.000 0.424 98 G N 4.771 113.257 108.800 -0.524 0.000 2.613 98 G HA2 0.540 4.393 3.960 -0.180 0.000 0.303 98 G HA3 0.540 4.543 3.960 0.072 0.000 0.303 98 G C -0.839 174.041 174.900 -0.034 0.000 1.312 98 G CA -1.611 43.384 45.100 -0.175 0.000 1.036 98 G HN 0.380 8.490 8.290 -0.300 0.000 0.513 99 G N -2.933 105.891 108.800 0.040 0.000 2.357 99 G HA2 -0.185 3.799 3.960 0.040 0.000 0.289 99 G HA3 -0.185 3.787 3.960 0.020 0.000 0.289 99 G C -1.242 173.682 174.900 0.040 0.000 1.302 99 G CA -0.450 44.671 45.100 0.035 0.000 0.936 99 G HN -0.215 8.126 8.290 0.085 0.000 0.513 100 A N -1.533 121.305 122.820 0.031 0.000 1.986 100 A HA -0.130 4.205 4.320 0.024 0.000 0.220 100 A C -0.108 177.493 177.584 0.030 0.000 1.171 100 A CA 1.886 53.939 52.037 0.026 0.000 0.640 100 A CB 0.201 19.214 19.000 0.021 0.000 0.811 100 A HN 0.137 8.303 8.150 0.028 0.000 0.451 101 E N -2.188 118.035 120.200 0.038 0.000 2.267 101 E HA 0.069 4.448 4.350 0.049 0.000 0.248 101 E C -2.016 174.628 176.600 0.072 0.000 0.899 101 E CA -1.013 55.419 56.400 0.053 0.000 0.764 101 E CB -0.318 29.413 29.700 0.052 0.000 1.227 101 E HN -0.472 7.891 8.360 0.034 0.018 0.421 102 A N 5.139 128.023 122.820 0.107 0.000 2.293 102 A HA 0.459 4.915 4.320 0.028 -0.119 0.302 102 A C -1.114 176.668 177.584 0.330 0.000 1.119 102 A CA -0.882 51.247 52.037 0.153 0.000 0.823 102 A CB 2.021 21.191 19.000 0.284 0.000 1.097 102 A HN 0.339 8.543 8.150 0.091 0.000 0.491 103 R N -3.418 117.235 120.500 0.255 0.000 2.734 103 R HA 0.896 5.804 4.340 0.691 -0.153 0.271 103 R C -2.101 174.279 176.300 0.134 0.000 1.021 103 R CA -1.485 54.827 56.100 0.354 0.000 0.893 103 R CB 3.475 33.913 30.300 0.229 0.000 1.244 103 R HN 0.677 8.943 8.270 -0.006 0.000 0.464 104 I N -0.120 120.549 120.570 0.164 0.000 2.410 104 I HA 0.470 4.872 4.170 0.102 -0.171 0.286 104 I C -1.747 174.539 176.117 0.282 0.000 1.009 104 I CA -1.218 60.161 61.300 0.132 0.000 1.111 104 I CB 2.656 40.640 38.000 -0.027 0.000 1.262 104 I HN 0.299 8.698 8.210 0.314 0.000 0.443 105 N N 9.536 128.367 118.700 0.218 0.000 2.437 105 N HA 0.420 5.300 4.740 0.232 0.000 0.259 105 N C -0.994 174.655 175.510 0.233 0.000 0.983 105 N CA 0.117 53.294 53.050 0.212 0.000 0.937 105 N CB 2.178 40.747 38.487 0.138 0.000 1.122 105 N HN 0.354 8.835 8.380 0.169 0.000 0.499 106 T N 0.589 115.315 114.554 0.287 0.000 2.901 106 T HA 0.741 5.354 4.350 0.199 -0.143 0.293 106 T C -1.375 173.464 174.700 0.232 0.000 1.084 106 T CA -2.395 59.873 62.100 0.280 0.000 1.008 106 T CB 3.433 72.560 68.868 0.432 0.000 1.170 106 T HN 0.810 9.232 8.240 0.304 0.000 0.509 107 Q N 0.698 120.575 119.800 0.129 0.000 2.356 107 Q HA 0.795 5.248 4.340 -0.092 -0.168 0.270 107 Q C -1.395 174.583 176.000 -0.036 0.000 1.058 107 Q CA -1.034 54.749 55.803 -0.033 0.000 0.802 107 Q CB 4.490 33.189 28.738 -0.065 0.000 1.303 107 Q HN 0.195 8.534 8.270 0.115 0.000 0.444 108 W N -0.690 120.494 121.300 -0.194 0.000 2.975 108 W HA 0.951 5.500 4.660 -0.413 -0.137 0.342 108 W C -2.871 173.450 176.519 -0.330 0.000 1.168 108 W CA -2.980 54.114 57.345 -0.419 0.000 1.141 108 W CB 3.366 32.315 29.460 -0.852 0.000 1.445 108 W HN 1.033 8.673 8.180 -0.711 0.113 0.560 109 L N -0.759 120.487 121.223 0.038 0.000 2.385 109 L HA 0.825 5.372 4.340 0.011 -0.200 0.273 109 L C -1.864 175.038 176.870 0.053 0.000 0.990 109 L CA -1.308 53.546 54.840 0.023 0.000 0.821 109 L CB 3.371 45.396 42.059 -0.056 0.000 1.279 109 L HN 0.511 8.687 8.230 -0.090 0.000 0.412 110 L N 4.652 125.949 121.223 0.123 0.000 2.342 110 L HA 0.763 5.267 4.340 -0.033 -0.183 0.276 110 L C -1.855 175.025 176.870 0.018 0.000 0.997 110 L CA -1.505 53.358 54.840 0.038 0.000 0.838 110 L CB 3.122 45.207 42.059 0.042 0.000 1.224 110 L HN 0.817 9.138 8.230 0.151 0.000 0.416 111 T N 9.355 123.909 114.554 0.001 0.000 2.823 111 T HA 0.662 5.221 4.350 -0.023 -0.222 0.279 111 T C -0.679 174.026 174.700 0.008 0.000 0.998 111 T CA -0.801 61.294 62.100 -0.009 0.000 0.994 111 T CB 1.835 70.694 68.868 -0.015 0.000 0.960 111 T HN 0.494 8.733 8.240 -0.002 0.000 0.448 112 S N 5.458 121.153 115.700 -0.009 0.000 2.593 112 S HA 0.395 5.013 4.470 0.045 -0.121 0.297 112 S C -0.311 174.291 174.600 0.003 0.000 1.112 112 S CA -0.473 57.733 58.200 0.009 0.000 1.043 112 S CB 2.719 65.907 63.200 -0.019 0.000 1.054 112 S HN 0.148 8.438 8.310 -0.033 0.000 0.516 113 G N 1.425 110.244 108.800 0.030 0.000 2.349 113 G HA2 0.036 3.998 3.960 0.002 0.000 0.281 113 G HA3 0.036 4.011 3.960 0.024 0.000 0.281 113 G C -1.254 173.631 174.900 -0.024 0.000 1.182 113 G CA 0.262 45.367 45.100 0.009 0.000 0.899 113 G HN 0.346 8.678 8.290 0.071 0.000 0.455 114 T N 1.857 116.390 114.554 -0.035 0.000 2.888 114 T HA 0.285 4.605 4.350 -0.050 0.000 0.288 114 T C -0.612 174.069 174.700 -0.032 0.000 1.063 114 T CA -1.717 60.355 62.100 -0.046 0.000 1.010 114 T CB 2.584 71.412 68.868 -0.068 0.000 1.214 114 T HN -0.086 8.137 8.240 -0.028 0.000 0.533 115 T N -2.784 111.755 114.554 -0.025 0.000 2.847 115 T HA 0.104 4.447 4.350 -0.011 0.000 0.279 115 T C 1.160 175.863 174.700 0.005 0.000 0.984 115 T CA -1.324 60.771 62.100 -0.009 0.000 0.988 115 T CB 1.147 70.012 68.868 -0.004 0.000 1.040 115 T HN -0.135 8.087 8.240 -0.030 0.000 0.528 116 E N 1.192 121.403 120.200 0.017 0.000 2.085 116 E HA -0.398 3.970 4.350 0.030 0.000 0.194 116 E C 2.561 179.202 176.600 0.069 0.000 0.994 116 E CA 3.560 59.981 56.400 0.036 0.000 0.801 116 E CB -0.802 28.918 29.700 0.033 0.000 0.743 116 E HN 0.512 8.880 8.360 0.013 0.000 0.453 117 A N -0.691 122.171 122.820 0.070 0.000 1.958 117 A HA -0.219 4.177 4.320 0.128 0.000 0.221 117 A C 0.716 178.415 177.584 0.191 0.000 1.178 117 A CA 2.730 54.837 52.037 0.117 0.000 0.642 117 A CB -0.700 18.351 19.000 0.085 0.000 0.816 117 A HN 0.286 8.454 8.150 0.048 0.010 0.453 118 N N -3.889 114.859 118.700 0.080 0.000 2.230 118 N HA 0.091 4.811 4.740 -0.033 0.000 0.202 118 N C 1.046 176.455 175.510 -0.167 0.000 1.119 118 N CA 0.250 53.269 53.050 -0.052 0.000 0.851 118 N CB 0.769 39.202 38.487 -0.090 0.000 0.990 118 N HN -0.635 7.650 8.380 0.043 0.121 0.497 119 A N 2.121 124.927 122.820 -0.023 0.000 1.908 119 A HA -0.151 4.127 4.320 -0.069 0.000 0.218 119 A C 1.746 179.290 177.584 -0.066 0.000 1.181 119 A CA 3.064 55.080 52.037 -0.035 0.000 0.627 119 A CB -0.464 18.556 19.000 0.034 0.000 0.818 119 A HN 0.264 8.230 8.150 0.055 0.217 0.445 120 W N -4.249 117.047 121.300 -0.007 0.000 2.313 120 W HA -0.293 4.361 4.660 -0.010 0.000 0.293 120 W C -0.367 176.147 176.519 -0.009 0.000 1.216 120 W CA 1.273 58.613 57.345 -0.009 0.000 1.223 120 W CB -1.062 28.393 29.460 -0.009 0.000 1.138 120 W HN 0.155 8.505 8.180 0.283 0.000 0.535 121 K N -1.807 117.960 120.400 -1.055 0.000 2.832 121 K HA 0.381 4.301 4.320 -0.667 0.000 0.211 121 K C 0.265 176.578 176.600 -0.478 0.000 1.112 121 K CA -0.467 55.230 56.287 -0.984 0.000 1.108 121 K CB -0.209 31.241 32.500 -1.750 0.000 0.899 121 K HN -0.791 6.705 8.250 -1.195 0.037 0.464 122 S N -0.043 115.480 115.700 -0.295 0.000 2.501 122 S HA -0.019 4.341 4.470 -0.183 0.000 0.220 122 S C -0.785 173.747 174.600 -0.113 0.000 0.997 122 S CA 1.805 59.901 58.200 -0.173 0.000 0.919 122 S CB 0.923 64.055 63.200 -0.113 0.000 0.778 122 S HN -0.151 7.942 8.310 -0.255 0.064 0.523 123 T N 4.667 119.158 114.554 -0.104 0.000 2.770 123 T HA 0.611 5.175 4.350 -0.042 -0.239 0.283 123 T C -0.568 174.099 174.700 -0.056 0.000 0.988 123 T CA 0.300 62.364 62.100 -0.062 0.000 0.957 123 T CB 1.496 70.334 68.868 -0.049 0.000 0.930 123 T HN -0.722 7.444 8.240 -0.124 0.000 0.443 124 L N 8.486 129.702 121.223 -0.013 0.000 2.360 124 L HA 0.340 4.649 4.340 -0.051 0.000 0.271 124 L C -1.582 175.247 176.870 -0.068 0.000 1.057 124 L CA -0.700 54.140 54.840 -0.000 0.000 0.803 124 L CB 1.890 44.024 42.059 0.125 0.000 1.207 124 L HN 0.805 9.044 8.230 0.015 0.000 0.445 125 V N 0.647 120.389 119.914 -0.287 0.000 2.876 125 V HA 0.916 4.881 4.120 -0.604 -0.208 0.312 125 V C -1.080 174.368 176.094 -1.076 0.000 1.085 125 V CA -2.547 59.401 62.300 -0.587 0.000 0.945 125 V CB 3.539 35.162 31.823 -0.333 0.000 1.017 125 V HN -0.061 7.986 8.190 -0.238 0.000 0.428 126 G N 4.492 112.241 108.800 -1.752 0.000 2.634 126 G HA2 0.267 3.793 3.960 -0.724 0.000 0.309 126 G HA3 0.267 3.033 3.960 -1.990 0.000 0.309 126 G C -3.361 170.808 174.900 -1.218 0.000 1.299 126 G CA 0.287 44.455 45.100 -1.555 0.000 0.798 126 G HN -0.105 7.154 8.290 -1.718 0.000 0.490 127 H N -3.424 115.281 119.070 -0.609 0.000 2.961 127 H HA 0.707 5.255 4.556 -0.192 -0.107 0.371 127 H C -1.876 173.570 175.328 0.196 0.000 1.190 127 H CA -1.656 54.289 56.048 -0.172 0.000 1.138 127 H CB 3.705 33.388 29.762 -0.131 0.000 1.816 127 H HN 0.087 8.014 8.280 -0.588 0.000 0.551 128 D N 0.411 120.965 120.400 0.258 0.000 2.756 128 D HA 0.314 5.071 4.640 -0.045 -0.144 0.226 128 D C -1.711 174.597 176.300 0.013 0.000 1.186 128 D CA 0.059 54.099 54.000 0.067 0.000 0.845 128 D CB 5.253 46.057 40.800 0.007 0.000 1.610 128 D HN 0.561 9.026 8.370 0.347 0.113 0.465 129 T N 3.919 118.412 114.554 -0.101 0.000 2.824 129 T HA 0.737 5.356 4.350 0.160 -0.173 0.282 129 T C -1.045 173.623 174.700 -0.054 0.000 0.993 129 T CA -0.358 61.767 62.100 0.042 0.000 0.967 129 T CB 1.885 70.821 68.868 0.112 0.000 0.960 129 T HN 0.545 9.043 8.240 -0.148 -0.346 0.441 130 F N 6.684 126.796 119.950 0.269 0.000 2.508 130 F HA 0.903 5.864 4.527 0.364 -0.216 0.325 130 F C -0.505 175.615 175.800 0.533 0.000 1.090 130 F CA -1.683 56.542 58.000 0.376 0.000 0.945 130 F CB 3.845 43.048 39.000 0.339 0.000 1.156 130 F HN 0.744 9.320 8.300 0.461 0.000 0.463 131 T N -2.795 112.206 114.554 0.744 0.000 2.887 131 T HA 0.590 5.347 4.350 0.678 0.000 0.292 131 T C 0.122 175.058 174.700 0.393 0.000 1.087 131 T CA -1.947 60.488 62.100 0.558 0.000 1.009 131 T CB 3.358 72.410 68.868 0.306 0.000 1.203 131 T HN 0.735 9.386 8.240 0.685 0.000 0.518 132 K N 0.929 121.344 120.400 0.024 0.000 2.410 132 K HA 0.154 4.525 4.320 -0.150 -0.141 0.200 132 K C -1.274 175.367 176.600 0.069 0.000 1.023 132 K CA 0.419 56.613 56.287 -0.154 0.000 1.149 132 K CB 0.237 32.451 32.500 -0.476 0.000 0.859 132 K HN 0.481 8.739 8.250 0.013 0.000 0.514 133 V N 0.000 119.986 119.914 0.120 0.000 2.409 133 V HA 0.000 4.112 4.120 -0.014 0.000 0.244 133 V CA 0.000 62.315 62.300 0.025 0.000 1.235 133 V CB 0.000 31.836 31.823 0.021 0.000 1.184 133 V HN 0.000 8.195 8.190 0.169 0.097 0.556