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 2ize_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 4.617 4.320 0.494 0.000 0.244 13 A C 0.000 177.653 177.584 0.116 0.000 1.274 13 A CA 0.000 52.216 52.037 0.299 0.000 0.836 13 A CB 0.000 19.125 19.000 0.208 0.000 0.831 14 E N -0.908 119.335 120.200 0.071 0.000 3.611 14 E HA -0.557 3.882 4.350 0.148 0.000 0.285 14 E C 1.476 177.997 176.600 -0.132 0.000 1.520 14 E CA 1.426 57.854 56.400 0.048 0.000 2.203 14 E CB -0.380 29.389 29.700 0.115 0.000 2.008 14 E HN 0.314 8.757 8.360 0.139 0.000 0.455 15 A N 0.928 123.704 122.820 -0.073 0.000 1.573 15 A HA -0.479 3.780 4.320 -0.102 0.000 0.333 15 A C 1.801 179.295 177.584 -0.150 0.000 3.943 15 A CA 2.794 54.773 52.037 -0.096 0.000 0.926 15 A CB -0.640 18.340 19.000 -0.032 0.000 0.750 15 A HN 0.541 8.691 8.150 0.001 0.000 0.547 16 G N -2.792 105.946 108.800 -0.103 0.000 2.657 16 G HA2 -0.412 3.560 3.960 0.021 0.000 0.224 16 G HA3 -0.412 3.618 3.960 0.118 0.000 0.224 16 G C 1.208 176.044 174.900 -0.107 0.000 1.086 16 G CA 1.810 46.893 45.100 -0.028 0.000 0.730 16 G HN 0.022 8.267 8.290 -0.048 0.016 0.602 17 I N 1.024 121.344 120.570 -0.417 0.000 2.353 17 I HA -0.318 3.788 4.170 -0.107 0.000 0.248 17 I C 0.125 176.200 176.117 -0.069 0.000 1.119 17 I CA 2.555 63.648 61.300 -0.345 0.000 1.417 17 I CB 0.016 37.601 38.000 -0.692 0.000 1.078 17 I HN -0.466 7.370 8.210 -0.489 0.080 0.421 18 T N 1.994 116.438 114.554 -0.184 0.000 2.908 18 T HA -0.332 4.073 4.350 -0.221 -0.188 0.301 18 T C -0.132 174.476 174.700 -0.155 0.000 1.019 18 T CA 3.308 65.304 62.100 -0.174 0.000 1.152 18 T CB -0.074 68.693 68.868 -0.168 0.000 0.966 18 T HN -0.144 7.853 8.240 -0.237 0.101 0.540 19 G N 4.588 113.261 108.800 -0.210 0.000 2.350 19 G HA2 -0.170 3.636 3.960 -0.257 0.000 0.282 19 G HA3 -0.170 3.550 3.960 -0.399 0.000 0.282 19 G C -3.214 171.463 174.900 -0.372 0.000 1.314 19 G CA 0.099 45.014 45.100 -0.309 0.000 0.915 19 G HN -0.061 8.090 8.290 -0.232 0.000 0.499 20 T N 2.006 116.281 114.554 -0.465 0.000 2.797 20 T HA 0.867 5.169 4.350 -0.395 -0.189 0.279 20 T C -1.004 173.343 174.700 -0.588 0.000 0.991 20 T CA 0.431 62.261 62.100 -0.451 0.000 0.979 20 T CB 1.446 70.096 68.868 -0.362 0.000 0.943 20 T HN 0.012 7.971 8.240 -0.468 0.000 0.444 21 W N 4.930 125.954 121.300 -0.461 0.000 2.799 21 W HA 0.413 5.187 4.660 -0.015 -0.123 0.349 21 W C -1.765 174.583 176.519 -0.285 0.000 1.100 21 W CA -1.318 55.921 57.345 -0.178 0.000 1.174 21 W CB 3.675 33.162 29.460 0.046 0.000 1.427 21 W HN 1.055 8.981 8.180 -0.240 0.110 0.547 22 Y N -3.126 117.489 120.300 0.525 0.000 2.524 22 Y HA 0.842 5.802 4.550 0.348 -0.201 0.347 22 Y C -0.960 175.185 175.900 0.407 0.000 1.005 22 Y CA -1.783 56.547 58.100 0.383 0.000 1.025 22 Y CB 3.836 42.413 38.460 0.196 0.000 1.275 22 Y HN 1.099 9.827 8.280 0.746 0.000 0.460 23 N N -0.044 118.881 118.700 0.375 0.000 2.592 23 N HA 0.703 5.598 4.740 -0.089 -0.208 0.292 23 N C 2.002 177.552 175.510 0.067 0.000 1.260 23 N CA -2.933 50.098 53.050 -0.031 0.000 0.910 23 N CB 1.992 40.218 38.487 -0.436 0.000 1.257 23 N HN -0.193 8.421 8.380 0.389 0.000 0.569 24 Q N 0.177 119.979 119.800 0.003 0.000 2.181 24 Q HA -0.258 4.115 4.340 0.055 0.000 0.205 24 Q C 0.475 176.507 176.000 0.052 0.000 0.980 24 Q CA 2.851 58.678 55.803 0.040 0.000 0.862 24 Q CB -0.737 28.020 28.738 0.031 0.000 0.905 24 Q HN 0.374 8.598 8.270 -0.076 0.000 0.429 25 L N -2.700 118.558 121.223 0.059 0.000 2.395 25 L HA 0.067 4.439 4.340 0.053 0.000 0.218 25 L C 0.981 177.904 176.870 0.088 0.000 1.130 25 L CA 0.307 55.188 54.840 0.069 0.000 0.826 25 L CB 0.017 42.122 42.059 0.078 0.000 0.941 25 L HN -0.544 7.804 8.230 0.047 -0.090 0.451 26 G N -3.352 105.521 108.800 0.121 0.000 2.184 26 G HA2 -0.325 3.729 3.960 0.157 0.000 0.206 26 G HA3 -0.325 3.701 3.960 0.109 0.000 0.206 26 G C -0.424 174.596 174.900 0.200 0.000 0.995 26 G CA -0.358 44.831 45.100 0.147 0.000 0.651 26 G HN -0.003 8.433 8.290 0.129 -0.068 0.511 27 S N 2.906 118.722 115.700 0.193 0.000 2.573 27 S HA -0.051 4.583 4.470 0.130 -0.086 0.277 27 S C -0.792 173.862 174.600 0.090 0.000 1.346 27 S CA 1.725 60.011 58.200 0.143 0.000 1.034 27 S CB 0.851 64.185 63.200 0.223 0.000 0.879 27 S HN -0.328 8.249 8.310 0.187 -0.154 0.528 28 T N 3.706 118.199 114.554 -0.101 0.000 2.829 28 T HA 0.767 5.163 4.350 -0.221 -0.178 0.280 28 T C -1.657 172.831 174.700 -0.354 0.000 0.999 28 T CA -0.273 61.700 62.100 -0.210 0.000 0.983 28 T CB 2.239 71.002 68.868 -0.174 0.000 0.968 28 T HN 0.757 8.917 8.240 -0.134 0.000 0.446 29 F N 7.886 127.537 119.950 -0.499 0.000 2.477 29 F HA 0.646 4.971 4.527 -0.544 -0.124 0.335 29 F C -3.050 172.549 175.800 -0.336 0.000 1.130 29 F CA -2.734 54.957 58.000 -0.515 0.000 0.948 29 F CB 3.557 42.155 39.000 -0.669 0.000 1.154 29 F HN 0.833 9.004 8.300 -0.215 0.000 0.439 30 I N 8.333 128.657 120.570 -0.410 0.000 2.411 30 I HA 0.590 4.683 4.170 -0.433 -0.183 0.284 30 I C -1.763 174.053 176.117 -0.501 0.000 1.012 30 I CA -1.180 59.872 61.300 -0.413 0.000 1.119 30 I CB 1.442 39.295 38.000 -0.244 0.000 1.261 30 I HN 0.606 8.666 8.210 -0.250 0.000 0.448 31 V N 3.631 123.180 119.914 -0.608 0.000 3.001 31 V HA 0.957 5.019 4.120 -0.407 -0.185 0.314 31 V C -1.143 174.744 176.094 -0.345 0.000 1.099 31 V CA -3.066 58.916 62.300 -0.530 0.000 0.989 31 V CB 3.296 34.666 31.823 -0.755 0.000 1.040 31 V HN 0.631 8.475 8.190 -0.577 0.000 0.434 32 T N 3.740 118.132 114.554 -0.271 0.000 2.841 32 T HA 0.262 4.493 4.350 -0.199 0.000 0.285 32 T C -1.970 172.614 174.700 -0.194 0.000 0.991 32 T CA -0.532 61.450 62.100 -0.196 0.000 0.966 32 T CB 2.244 71.032 68.868 -0.134 0.000 0.962 32 T HN 0.460 8.543 8.240 -0.262 0.000 0.438 33 A N 7.088 129.780 122.820 -0.214 0.000 2.271 33 A HA 0.792 5.179 4.320 -0.187 -0.179 0.317 33 A C -0.854 176.719 177.584 -0.019 0.000 1.245 33 A CA -2.114 49.780 52.037 -0.239 0.000 0.857 33 A CB 1.710 20.345 19.000 -0.608 0.000 1.175 33 A HN 0.439 8.465 8.150 -0.207 0.000 0.512 34 G N 1.265 110.141 108.800 0.128 0.000 2.420 34 G HA2 0.213 4.204 3.960 0.052 0.000 0.284 34 G HA3 0.213 4.227 3.960 0.089 0.000 0.284 34 G C 0.275 175.280 174.900 0.174 0.000 1.177 34 G CA -1.216 43.951 45.100 0.112 0.000 0.841 34 G HN 0.426 8.723 8.290 0.190 0.107 0.527 35 A N 2.728 125.604 122.820 0.092 0.000 2.009 35 A HA -0.312 4.068 4.320 0.099 0.000 0.222 35 A C 0.510 178.106 177.584 0.019 0.000 1.175 35 A CA 2.669 54.747 52.037 0.068 0.000 0.651 35 A CB -0.412 18.607 19.000 0.030 0.000 0.815 35 A HN 0.608 8.792 8.150 0.057 0.000 0.459 36 D N -4.332 116.065 120.400 -0.005 0.000 2.342 36 D HA -0.018 4.574 4.640 -0.081 0.000 0.221 36 D C -0.540 175.668 176.300 -0.154 0.000 1.101 36 D CA -0.391 53.569 54.000 -0.067 0.000 0.837 36 D CB 0.388 41.166 40.800 -0.036 0.000 0.938 36 D HN -0.288 8.061 8.370 0.021 0.034 0.508 37 G N -2.449 106.204 108.800 -0.245 0.000 2.192 37 G HA2 -0.319 2.963 3.960 -1.278 0.000 0.193 37 G HA3 -0.319 3.435 3.960 -0.343 0.000 0.193 37 G C -2.010 172.872 174.900 -0.030 0.000 0.999 37 G CA -0.051 44.777 45.100 -0.453 0.000 0.659 37 G HN -0.130 8.036 8.290 -0.112 0.057 0.503 38 A N -0.512 122.389 122.820 0.136 0.000 2.293 38 A HA 0.513 5.035 4.320 0.134 -0.122 0.302 38 A C -1.950 175.762 177.584 0.214 0.000 1.119 38 A CA -1.423 50.707 52.037 0.156 0.000 0.823 38 A CB 2.528 21.575 19.000 0.079 0.000 1.097 38 A HN -0.676 7.545 8.150 0.118 0.000 0.491 39 L N 1.969 123.271 121.223 0.133 0.000 2.409 39 L HA 1.011 5.534 4.340 -0.041 -0.207 0.272 39 L C -1.011 175.859 176.870 -0.001 0.000 0.980 39 L CA -0.885 53.973 54.840 0.030 0.000 0.826 39 L CB 4.456 46.558 42.059 0.071 0.000 1.268 39 L HN -0.186 8.117 8.230 0.122 0.000 0.407 40 T N 0.788 115.303 114.554 -0.065 0.000 2.916 40 T HA 0.751 5.240 4.350 -0.027 -0.155 0.305 40 T C -1.014 173.617 174.700 -0.115 0.000 1.119 40 T CA -2.009 60.057 62.100 -0.057 0.000 1.008 40 T CB 3.388 72.234 68.868 -0.036 0.000 1.129 40 T HN 0.246 8.419 8.240 -0.111 0.000 0.480 41 G N -0.196 108.551 108.800 -0.089 0.000 2.367 41 G HA2 0.189 4.085 3.960 -0.107 0.000 0.272 41 G HA3 0.189 4.264 3.960 -0.194 -0.231 0.272 41 G C -2.679 172.191 174.900 -0.049 0.000 1.271 41 G CA 0.910 45.941 45.100 -0.116 0.000 0.893 41 G HN -0.351 7.911 8.290 -0.047 0.000 0.485 42 T N -2.215 112.313 114.554 -0.044 0.000 2.906 42 T HA 0.818 5.352 4.350 0.089 -0.131 0.295 42 T C -2.633 172.140 174.700 0.121 0.000 1.075 42 T CA -2.044 60.087 62.100 0.051 0.000 1.005 42 T CB 3.623 72.509 68.868 0.029 0.000 1.136 42 T HN 0.129 8.305 8.240 -0.105 0.000 0.498 43 Y N 1.830 122.192 120.300 0.104 0.000 2.376 43 Y HA 0.570 5.374 4.550 0.145 -0.166 0.340 43 Y C -2.586 173.494 175.900 0.300 0.000 0.965 43 Y CA -1.796 56.406 58.100 0.171 0.000 1.078 43 Y CB 4.086 42.620 38.460 0.123 0.000 1.193 43 Y HN 0.883 9.250 8.280 0.324 0.108 0.452 44 E N 9.022 129.310 120.200 0.146 0.000 2.185 44 E HA 0.582 5.387 4.350 0.443 -0.189 0.261 44 E C -1.743 175.009 176.600 0.253 0.000 0.879 44 E CA -1.965 54.592 56.400 0.262 0.000 0.756 44 E CB 3.582 33.344 29.700 0.104 0.000 1.152 44 E HN 0.697 8.924 8.360 -0.223 0.000 0.416 45 S N 7.136 123.123 115.700 0.478 0.000 2.681 45 S HA 0.421 5.140 4.470 0.414 0.000 0.270 45 S C -0.469 174.258 174.600 0.212 0.000 1.209 45 S CA -0.928 57.509 58.200 0.395 0.000 0.988 45 S CB 0.960 64.375 63.200 0.357 0.000 1.006 45 S HN 0.216 8.898 8.310 0.619 0.000 0.558 46 A N 0.451 123.367 122.820 0.160 0.000 2.211 46 A HA 0.405 4.780 4.320 0.090 0.000 0.208 46 A C -0.386 177.223 177.584 0.041 0.000 1.250 46 A CA 0.039 52.133 52.037 0.095 0.000 0.935 46 A CB 1.722 20.781 19.000 0.098 0.000 0.982 46 A HN 0.013 8.277 8.150 0.191 0.000 0.490 47 V N -2.642 117.273 119.914 0.002 0.000 3.102 47 V HA 0.335 4.427 4.120 -0.046 0.000 0.312 47 V C -0.094 175.892 176.094 -0.181 0.000 1.135 47 V CA -1.561 60.697 62.300 -0.071 0.000 1.022 47 V CB 2.651 34.433 31.823 -0.069 0.000 1.056 47 V HN -0.573 7.632 8.190 0.024 0.000 0.436 48 G N 2.140 110.833 108.800 -0.177 0.000 2.627 48 G HA2 -0.361 3.469 3.960 -0.217 0.000 0.214 48 G HA3 -0.361 3.353 3.960 -0.410 0.000 0.214 48 G C -0.929 173.860 174.900 -0.184 0.000 1.331 48 G CA -0.421 44.527 45.100 -0.254 0.000 0.891 48 G HN 0.130 8.348 8.290 -0.120 0.000 0.539 49 N N 2.837 121.408 118.700 -0.214 0.000 3.229 49 N HA 0.063 4.771 4.740 -0.053 0.000 0.275 49 N C -1.827 173.627 175.510 -0.093 0.000 1.225 49 N CA -1.237 51.749 53.050 -0.106 0.000 1.119 49 N CB -1.421 37.012 38.487 -0.090 0.000 1.392 49 N HN 0.053 8.251 8.380 -0.303 0.000 0.520 50 A N 0.720 123.521 122.820 -0.031 0.000 2.435 50 A HA 0.365 4.877 4.320 0.320 0.000 0.304 50 A C -1.478 176.267 177.584 0.268 0.000 1.064 50 A CA -1.083 51.054 52.037 0.167 0.000 0.727 50 A CB 2.756 21.762 19.000 0.009 0.000 1.284 50 A HN -0.550 7.531 8.150 -0.036 0.047 0.415 51 E N 3.438 123.887 120.200 0.414 0.000 2.759 51 E HA 0.211 4.647 4.350 0.144 0.000 0.318 51 E C -1.427 175.232 176.600 0.098 0.000 1.093 51 E CA 0.401 56.920 56.400 0.199 0.000 0.762 51 E CB 1.327 31.113 29.700 0.143 0.000 1.543 51 E HN 0.652 9.454 8.360 0.736 0.000 0.381 52 S N 0.091 115.836 115.700 0.075 0.000 4.137 52 S HA -0.260 4.200 4.470 -0.017 0.000 0.638 52 S C -1.789 172.806 174.600 -0.008 0.000 1.326 52 S CA 0.027 58.211 58.200 -0.027 0.000 1.554 52 S CB 0.226 63.366 63.200 -0.100 0.000 0.328 52 S HN 0.004 8.405 8.310 0.152 0.000 1.695 53 R N 0.996 121.447 120.500 -0.082 0.000 2.500 53 R HA 0.574 5.228 4.340 0.202 -0.193 0.277 53 R C -0.933 175.207 176.300 -0.268 0.000 1.026 53 R CA -1.042 55.057 56.100 -0.002 0.000 1.058 53 R CB 1.144 31.460 30.300 0.027 0.000 1.078 53 R HN 0.050 8.278 8.270 -0.070 0.000 0.509 54 Y N -2.519 117.884 120.300 0.172 0.000 2.545 54 Y HA 0.194 4.796 4.550 0.088 0.000 0.348 54 Y C -0.793 175.136 175.900 0.050 0.000 1.002 54 Y CA -1.060 57.097 58.100 0.095 0.000 1.039 54 Y CB 3.251 41.728 38.460 0.029 0.000 1.271 54 Y HN 0.361 8.873 8.280 0.387 0.000 0.467 55 V N 0.920 120.928 119.914 0.155 0.000 2.834 55 V HA 0.101 4.385 4.120 0.073 -0.121 0.301 55 V C -0.617 175.521 176.094 0.072 0.000 1.066 55 V CA 0.916 63.265 62.300 0.083 0.000 1.052 55 V CB 0.626 32.477 31.823 0.047 0.000 1.021 55 V HN 0.726 9.012 8.190 0.159 0.000 0.480 56 L N 0.016 121.278 121.223 0.065 0.000 2.393 56 L HA 1.015 5.566 4.340 0.092 -0.156 0.260 56 L C -1.643 175.273 176.870 0.077 0.000 1.002 56 L CA -1.399 53.496 54.840 0.092 0.000 0.818 56 L CB 4.348 46.476 42.059 0.115 0.000 1.369 56 L HN 0.101 8.359 8.230 0.047 0.000 0.412 57 T N 0.806 115.433 114.554 0.122 0.000 2.923 57 T HA 0.639 5.189 4.350 0.069 -0.158 0.311 57 T C -1.481 173.325 174.700 0.177 0.000 1.183 57 T CA -1.395 60.766 62.100 0.102 0.000 1.020 57 T CB 2.313 71.223 68.868 0.069 0.000 1.165 57 T HN -0.140 8.204 8.240 0.173 0.000 0.482 58 G N 2.644 111.546 108.800 0.170 0.000 2.706 58 G HA2 0.683 4.771 3.960 0.213 0.000 0.307 58 G HA3 0.683 4.981 3.960 0.334 -0.137 0.307 58 G C -2.848 172.163 174.900 0.186 0.000 1.307 58 G CA 0.446 45.685 45.100 0.231 0.000 0.790 58 G HN 0.518 8.882 8.290 0.123 0.000 0.503 59 R N -3.275 117.353 120.500 0.213 0.000 2.707 59 R HA 1.125 5.791 4.340 0.197 -0.208 0.272 59 R C -1.770 174.689 176.300 0.265 0.000 1.011 59 R CA -2.142 54.071 56.100 0.187 0.000 0.893 59 R CB 4.806 35.164 30.300 0.097 0.000 1.233 59 R HN -0.119 8.298 8.270 0.245 0.000 0.464 60 Y N -2.507 117.825 120.300 0.054 0.000 2.644 60 Y HA 0.615 5.340 4.550 0.076 -0.129 0.338 60 Y C -2.102 173.820 175.900 0.037 0.000 1.119 60 Y CA -2.582 55.550 58.100 0.053 0.000 1.060 60 Y CB 2.561 41.038 38.460 0.028 0.000 1.294 60 Y HN 0.463 8.785 8.280 0.071 0.000 0.472 61 D N 0.256 120.657 120.400 0.002 0.000 2.352 61 D HA 0.155 4.703 4.640 -0.153 0.000 0.245 61 D C 0.025 176.204 176.300 -0.202 0.000 1.224 61 D CA -1.022 52.919 54.000 -0.098 0.000 0.879 61 D CB 0.604 41.426 40.800 0.036 0.000 1.057 61 D HN 0.035 8.533 8.370 0.214 0.000 0.491 62 S N 3.452 118.900 115.700 -0.420 0.000 2.607 62 S HA -0.190 4.132 4.470 -0.248 0.000 0.224 62 S C -0.545 174.014 174.600 -0.068 0.000 0.969 62 S CA 1.226 59.235 58.200 -0.318 0.000 0.927 62 S CB 0.081 63.042 63.200 -0.397 0.000 0.772 62 S HN 0.051 8.110 8.310 -0.418 0.000 0.533 63 A N 1.010 123.803 122.820 -0.044 0.000 3.355 63 A HA 0.542 4.872 4.320 0.018 0.000 0.290 63 A C -2.933 174.665 177.584 0.025 0.000 0.973 63 A CA -2.471 49.566 52.037 0.001 0.000 0.933 63 A CB 0.558 19.549 19.000 -0.014 0.000 1.138 63 A HN -0.428 7.766 8.150 -0.071 -0.087 0.490 64 P HA -0.046 4.626 4.420 0.061 -0.216 0.271 64 P C -1.390 175.944 177.300 0.057 0.000 1.244 64 P CA -0.519 62.623 63.100 0.070 0.000 0.793 64 P CB 1.022 32.789 31.700 0.112 0.000 0.984 65 A N -2.316 120.536 122.820 0.054 0.000 2.407 65 A HA 0.004 4.345 4.320 0.036 0.000 0.248 65 A C 1.550 179.162 177.584 0.047 0.000 1.082 65 A CA -0.392 51.671 52.037 0.043 0.000 0.785 65 A CB 0.660 19.683 19.000 0.039 0.000 1.020 65 A HN 0.101 8.286 8.150 0.059 0.000 0.489 66 T N -0.623 113.955 114.554 0.039 0.000 3.843 66 T HA -0.060 4.317 4.350 0.045 0.000 0.227 66 T C -1.592 173.128 174.700 0.034 0.000 1.043 66 T CA -1.131 60.992 62.100 0.038 0.000 1.012 66 T CB -1.530 67.357 68.868 0.032 0.000 1.279 66 T HN 0.228 8.568 8.240 0.033 -0.080 0.730 67 D N -1.241 119.182 120.400 0.038 0.000 2.732 67 D HA 0.033 4.546 4.640 0.029 0.145 0.292 67 D C -0.193 176.130 176.300 0.037 0.000 1.135 67 D CA -1.377 52.643 54.000 0.033 0.000 1.071 67 D CB 1.854 42.672 40.800 0.030 0.000 1.457 67 D HN -0.381 1.539 8.370 0.044 6.476 0.547 68 G N -2.508 106.312 108.800 0.032 0.000 3.213 68 G HA2 -0.045 3.937 3.960 0.037 0.000 0.263 68 G HA3 -0.045 3.932 3.960 0.028 0.000 0.263 68 G C -0.977 173.944 174.900 0.036 0.000 0.829 68 G CA 0.148 45.268 45.100 0.033 0.000 1.983 68 G HN 0.149 8.487 8.290 0.028 -0.031 0.616 69 S N 1.693 117.421 115.700 0.046 0.000 2.638 69 S HA 0.254 4.749 4.470 0.043 0.000 0.302 69 S C -0.386 174.255 174.600 0.069 0.000 1.096 69 S CA -2.025 56.206 58.200 0.052 0.000 0.953 69 S CB 3.389 66.620 63.200 0.052 0.000 1.107 69 S HN -0.449 7.887 8.310 0.051 0.006 0.503 70 G N -0.246 108.598 108.800 0.074 0.000 2.522 70 G HA2 0.376 4.422 3.960 0.103 0.000 0.304 70 G HA3 0.376 4.420 3.960 0.088 -0.031 0.304 70 G C -1.078 173.913 174.900 0.151 0.000 1.210 70 G CA -0.799 44.363 45.100 0.104 0.000 0.960 70 G HN -0.044 8.284 8.290 0.064 0.000 0.497 71 T N 3.874 118.566 114.554 0.231 0.000 2.733 71 T HA 0.075 4.540 4.350 0.190 0.000 0.294 71 T C -0.607 174.226 174.700 0.221 0.000 0.956 71 T CA 0.778 63.023 62.100 0.241 0.000 0.987 71 T CB 0.950 70.010 68.868 0.319 0.000 0.920 71 T HN 0.139 8.449 8.240 0.289 0.104 0.470 72 A N 9.304 132.228 122.820 0.173 0.000 2.425 72 A HA 0.570 5.159 4.320 0.155 -0.176 0.249 72 A C -1.404 176.297 177.584 0.195 0.000 1.084 72 A CA -0.165 51.966 52.037 0.156 0.000 0.781 72 A CB 0.968 20.033 19.000 0.110 0.000 1.019 72 A HN 0.766 9.005 8.150 0.149 0.000 0.490 73 L N -4.024 117.321 121.223 0.204 0.000 2.765 73 L HA 1.091 5.706 4.340 0.245 -0.129 0.263 73 L C -1.379 175.632 176.870 0.235 0.000 1.068 73 L CA -1.634 53.358 54.840 0.253 0.000 0.903 73 L CB 3.216 45.455 42.059 0.299 0.000 1.512 73 L HN 0.375 8.716 8.230 0.184 0.000 0.404 74 G N -3.437 105.534 108.800 0.286 0.000 2.646 74 G HA2 0.709 4.900 3.960 0.103 0.000 0.291 74 G HA3 0.709 4.744 3.960 0.124 0.000 0.291 74 G C -3.365 171.753 174.900 0.364 0.000 1.445 74 G CA 0.800 46.023 45.100 0.205 0.000 0.814 74 G HN -0.087 8.400 8.290 0.328 0.000 0.495 75 W N -3.695 117.674 121.300 0.115 0.000 3.059 75 W HA 0.612 5.411 4.660 0.068 -0.099 0.329 75 W C -3.210 173.393 176.519 0.140 0.000 1.246 75 W CA -1.111 56.283 57.345 0.082 0.000 1.190 75 W CB 1.892 31.360 29.460 0.013 0.000 1.423 75 W HN 0.428 8.542 8.180 -0.110 0.000 0.571 76 T N 1.187 115.892 114.554 0.252 0.000 2.907 76 T HA 0.916 5.489 4.350 0.040 -0.199 0.292 76 T C -1.488 173.280 174.700 0.113 0.000 1.043 76 T CA -0.677 61.487 62.100 0.107 0.000 1.003 76 T CB 3.146 72.032 68.868 0.030 0.000 1.084 76 T HN 0.516 8.953 8.240 0.329 0.000 0.483 77 V N 3.343 123.205 119.914 -0.088 0.000 2.612 77 V HA 0.305 4.431 4.120 -0.217 -0.136 0.301 77 V C -2.333 173.357 176.094 -0.673 0.000 1.059 77 V CA -0.945 61.124 62.300 -0.384 0.000 0.886 77 V CB 3.804 35.193 31.823 -0.723 0.000 1.007 77 V HN 0.522 8.624 8.190 -0.147 0.000 0.426 78 A N 5.458 127.999 122.820 -0.464 0.000 2.290 78 A HA 0.507 4.732 4.320 -0.330 -0.103 0.310 78 A C -0.138 177.194 177.584 -0.421 0.000 1.202 78 A CA -1.561 50.279 52.037 -0.327 0.000 0.837 78 A CB 1.633 20.570 19.000 -0.104 0.000 1.139 78 A HN 0.683 8.655 8.150 -0.296 0.000 0.509 79 W N 4.762 125.979 121.300 -0.139 0.000 1.694 79 W HA -0.053 4.216 4.660 -0.653 0.000 0.425 79 W C -1.486 175.027 176.519 -0.010 0.000 0.615 79 W CA -1.403 55.767 57.345 -0.292 0.000 2.237 79 W CB -0.707 28.544 29.460 -0.348 0.000 1.478 79 W HN 0.693 8.830 8.180 -0.072 0.000 0.427 80 K N 1.558 122.148 120.400 0.318 0.000 2.471 80 K HA 0.710 5.389 4.320 0.255 -0.206 0.252 80 K C -1.725 175.057 176.600 0.303 0.000 0.938 80 K CA -1.139 55.309 56.287 0.268 0.000 0.796 80 K CB 2.973 35.535 32.500 0.104 0.000 1.161 80 K HN -0.395 7.924 8.250 0.256 0.085 0.425 81 N N 5.435 124.245 118.700 0.183 0.000 3.418 81 N HA 0.242 4.968 4.740 -0.023 0.000 0.316 81 N C -0.674 174.744 175.510 -0.153 0.000 1.601 81 N CA -1.067 51.961 53.050 -0.037 0.000 0.805 81 N CB 0.899 39.218 38.487 -0.279 0.000 1.873 81 N HN 0.805 9.296 8.380 0.184 0.000 0.615 82 N N -1.639 116.830 118.700 -0.384 0.000 2.512 82 N HA -0.015 4.512 4.740 -0.354 0.000 0.183 82 N C -0.106 174.931 175.510 -0.788 0.000 1.073 82 N CA 2.099 54.770 53.050 -0.632 0.000 0.911 82 N CB -0.357 37.613 38.487 -0.860 0.000 0.964 82 N HN 0.168 8.326 8.380 -0.371 0.000 0.447 83 Y N -2.674 117.616 120.300 -0.017 0.000 2.539 83 Y HA 0.074 4.627 4.550 0.005 0.000 0.284 83 Y C 0.138 176.058 175.900 0.034 0.000 1.134 83 Y CA 1.356 59.458 58.100 0.003 0.000 1.251 83 Y CB 1.440 39.894 38.460 -0.009 0.000 1.260 83 Y HN -0.200 8.119 8.280 -0.352 -0.251 0.528 84 R N -2.996 117.619 120.500 0.192 0.000 2.837 84 R HA 0.307 4.716 4.340 0.114 0.000 0.271 84 R C -2.716 173.666 176.300 0.136 0.000 0.993 84 R CA -1.374 54.827 56.100 0.168 0.000 0.931 84 R CB 3.886 34.328 30.300 0.237 0.000 1.206 84 R HN 0.457 9.282 8.270 0.192 -0.440 0.474 85 N N 0.388 119.102 118.700 0.024 0.000 2.594 85 N HA 0.321 5.219 4.740 -0.017 -0.169 0.280 85 N C -1.340 173.985 175.510 -0.309 0.000 1.156 85 N CA 0.206 53.171 53.050 -0.142 0.000 0.831 85 N CB 0.755 39.087 38.487 -0.260 0.000 1.379 85 N HN 0.295 8.681 8.380 0.010 0.000 0.536 86 A N 1.870 124.609 122.820 -0.135 0.000 2.218 86 A HA 0.047 4.325 4.320 -0.069 0.000 0.209 86 A C -0.071 177.499 177.584 -0.023 0.000 1.168 86 A CA 0.125 52.113 52.037 -0.081 0.000 0.804 86 A CB 0.730 19.704 19.000 -0.044 0.000 0.834 86 A HN 0.761 8.916 8.150 0.008 0.000 0.482 87 H N -4.110 115.009 119.070 0.081 0.000 2.677 87 H HA -0.340 4.253 4.556 0.062 0.000 0.321 87 H C -2.020 173.340 175.328 0.054 0.000 1.171 87 H CA 0.795 56.877 56.048 0.057 0.000 1.139 87 H CB -2.885 26.895 29.762 0.031 0.000 1.515 87 H HN -0.285 7.966 8.280 -0.315 -0.160 0.423 88 S N -4.779 111.021 115.700 0.167 0.000 2.625 88 S HA 0.931 5.588 4.470 0.113 -0.119 0.271 88 S C -2.358 172.384 174.600 0.237 0.000 1.161 88 S CA -0.871 57.429 58.200 0.167 0.000 0.820 88 S CB 4.370 67.639 63.200 0.116 0.000 1.137 88 S HN -0.396 8.012 8.310 0.164 0.000 0.470 89 A N -1.291 121.633 122.820 0.174 0.000 2.520 89 A HA 0.833 5.197 4.320 -0.169 -0.145 0.298 89 A C -2.300 175.281 177.584 -0.006 0.000 1.051 89 A CA -0.373 51.665 52.037 0.001 0.000 0.690 89 A CB 3.706 22.671 19.000 -0.058 0.000 1.281 89 A HN 0.573 8.798 8.150 0.125 0.000 0.402 90 T N 3.959 118.422 114.554 -0.151 0.000 2.863 90 T HA 1.043 5.470 4.350 -0.216 -0.206 0.285 90 T C -0.749 173.704 174.700 -0.412 0.000 1.009 90 T CA -1.132 60.778 62.100 -0.317 0.000 0.989 90 T CB 2.504 71.020 68.868 -0.586 0.000 1.004 90 T HN 0.831 8.857 8.240 -0.356 0.000 0.455 91 T N 1.935 116.258 114.554 -0.385 0.000 2.841 91 T HA 0.783 5.221 4.350 -0.168 -0.190 0.283 91 T C -1.381 173.119 174.700 -0.333 0.000 1.000 91 T CA -1.963 59.989 62.100 -0.247 0.000 0.977 91 T CB 2.571 71.363 68.868 -0.127 0.000 0.979 91 T HN 0.660 8.697 8.240 -0.338 0.000 0.446 92 W N 4.521 125.479 121.300 -0.570 0.000 2.632 92 W HA 0.477 5.160 4.660 -0.220 -0.155 0.328 92 W C -1.553 174.690 176.519 -0.461 0.000 1.044 92 W CA -1.354 55.638 57.345 -0.588 0.000 1.225 92 W CB 3.855 32.533 29.460 -1.303 0.000 1.396 92 W HN 0.904 8.928 8.180 -0.261 0.000 0.499 93 S N 1.645 117.330 115.700 -0.026 0.000 2.532 93 S HA 0.764 5.390 4.470 0.022 -0.143 0.299 93 S C -1.124 173.518 174.600 0.070 0.000 1.105 93 S CA -1.324 56.886 58.200 0.016 0.000 1.018 93 S CB 1.626 64.829 63.200 0.006 0.000 1.021 93 S HN 0.493 8.817 8.310 0.023 0.000 0.483 94 G N 3.405 112.271 108.800 0.109 0.000 2.435 94 G HA2 0.543 4.569 3.960 0.110 0.000 0.296 94 G HA3 0.543 4.778 3.960 0.171 -0.173 0.296 94 G C -3.521 171.473 174.900 0.157 0.000 1.240 94 G CA 0.880 46.063 45.100 0.138 0.000 0.872 94 G HN 0.451 8.812 8.290 0.120 0.000 0.480 95 Q N -3.424 116.474 119.800 0.164 0.000 2.416 95 Q HA 0.876 5.522 4.340 0.200 -0.186 0.281 95 Q C -2.419 173.697 176.000 0.193 0.000 1.067 95 Q CA -2.137 53.771 55.803 0.175 0.000 0.809 95 Q CB 4.425 33.242 28.738 0.132 0.000 1.418 95 Q HN -0.090 8.277 8.270 0.160 0.000 0.411 96 Y N 2.652 123.001 120.300 0.082 0.000 2.334 96 Y HA 0.668 5.404 4.550 0.035 -0.165 0.328 96 Y C -2.268 173.686 175.900 0.089 0.000 1.130 96 Y CA -1.472 56.662 58.100 0.056 0.000 1.163 96 Y CB 2.664 41.136 38.460 0.021 0.000 1.207 96 Y HN 0.673 9.033 8.280 0.319 0.112 0.471 97 V N 5.810 125.349 119.914 -0.624 0.000 2.623 97 V HA 0.273 4.213 4.120 -0.300 0.000 0.304 97 V C -1.490 174.146 176.094 -0.763 0.000 1.054 97 V CA -1.169 60.857 62.300 -0.457 0.000 0.882 97 V CB 3.905 35.631 31.823 -0.163 0.000 1.002 97 V HN 0.434 8.214 8.190 -0.683 0.000 0.424 98 G N 4.218 112.696 108.800 -0.537 0.000 2.671 98 G HA2 0.496 4.277 3.960 -0.298 0.000 0.275 98 G HA3 0.496 4.440 3.960 -0.027 0.000 0.275 98 G C -1.084 173.775 174.900 -0.067 0.000 1.368 98 G CA -1.739 43.209 45.100 -0.253 0.000 1.044 98 G HN 0.388 8.497 8.290 -0.302 0.000 0.543 99 G N -2.791 106.018 108.800 0.015 0.000 2.316 99 G HA2 -0.212 3.766 3.960 0.029 0.000 0.349 99 G HA3 -0.212 3.754 3.960 0.008 0.000 0.349 99 G C -0.714 174.203 174.900 0.029 0.000 1.274 99 G CA -0.761 44.352 45.100 0.021 0.000 1.018 99 G HN -0.222 8.103 8.290 0.057 0.000 0.486 100 A N -1.021 121.813 122.820 0.023 0.000 1.978 100 A HA -0.108 4.223 4.320 0.019 0.000 0.220 100 A C 0.047 177.645 177.584 0.024 0.000 1.170 100 A CA 1.819 53.868 52.037 0.021 0.000 0.636 100 A CB 0.177 19.187 19.000 0.017 0.000 0.810 100 A HN 0.159 8.321 8.150 0.020 0.000 0.448 101 E N -2.462 117.757 120.200 0.032 0.000 2.346 101 E HA 0.141 4.519 4.350 0.046 0.000 0.239 101 E C -1.803 174.838 176.600 0.068 0.000 0.943 101 E CA -1.583 54.846 56.400 0.049 0.000 0.751 101 E CB -0.508 29.222 29.700 0.050 0.000 1.241 101 E HN -0.360 7.995 8.360 0.027 0.021 0.423 102 A N 4.264 127.142 122.820 0.097 0.000 2.322 102 A HA 0.398 4.842 4.320 -0.001 -0.125 0.269 102 A C -0.742 177.032 177.584 0.317 0.000 1.094 102 A CA -0.469 51.649 52.037 0.134 0.000 0.807 102 A CB 1.300 20.457 19.000 0.261 0.000 1.047 102 A HN 0.381 8.579 8.150 0.079 0.000 0.487 103 R N -3.721 116.918 120.500 0.233 0.000 2.734 103 R HA 0.865 5.724 4.340 0.612 -0.151 0.271 103 R C -2.054 174.311 176.300 0.109 0.000 1.021 103 R CA -1.488 54.799 56.100 0.312 0.000 0.893 103 R CB 3.477 33.898 30.300 0.202 0.000 1.244 103 R HN 0.689 8.942 8.270 -0.029 0.000 0.464 104 I N -0.032 120.617 120.570 0.131 0.000 2.439 104 I HA 0.523 4.947 4.170 0.112 -0.187 0.285 104 I C -1.784 174.495 176.117 0.270 0.000 1.021 104 I CA -1.211 60.164 61.300 0.125 0.000 1.091 104 I CB 2.791 40.775 38.000 -0.026 0.000 1.242 104 I HN 0.229 8.594 8.210 0.258 0.000 0.439 105 N N 9.435 128.264 118.700 0.215 0.000 2.425 105 N HA 0.432 5.307 4.740 0.225 0.000 0.268 105 N C -1.022 174.629 175.510 0.236 0.000 0.991 105 N CA 0.066 53.240 53.050 0.207 0.000 0.931 105 N CB 2.203 40.769 38.487 0.132 0.000 1.130 105 N HN 0.224 8.706 8.380 0.170 0.000 0.493 106 T N -0.041 114.690 114.554 0.295 0.000 2.901 106 T HA 0.688 5.313 4.350 0.211 -0.148 0.293 106 T C -1.300 173.552 174.700 0.254 0.000 1.084 106 T CA -2.371 59.908 62.100 0.298 0.000 1.008 106 T CB 3.390 72.538 68.868 0.467 0.000 1.170 106 T HN 0.765 9.191 8.240 0.311 0.000 0.509 107 Q N 0.537 120.426 119.800 0.148 0.000 2.375 107 Q HA 0.765 5.230 4.340 -0.070 -0.168 0.271 107 Q C -1.455 174.519 176.000 -0.044 0.000 1.074 107 Q CA -1.024 54.766 55.803 -0.021 0.000 0.808 107 Q CB 4.480 33.185 28.738 -0.056 0.000 1.327 107 Q HN 0.174 8.523 8.270 0.132 0.000 0.441 108 W N -0.823 120.366 121.300 -0.184 0.000 2.975 108 W HA 0.968 5.537 4.660 -0.390 -0.143 0.342 108 W C -2.936 173.394 176.519 -0.316 0.000 1.168 108 W CA -2.907 54.194 57.345 -0.407 0.000 1.141 108 W CB 3.410 32.343 29.460 -0.878 0.000 1.445 108 W HN 0.976 8.558 8.180 -0.814 0.110 0.560 109 L N -0.503 120.732 121.223 0.021 0.000 2.385 109 L HA 0.798 5.321 4.340 -0.026 -0.199 0.273 109 L C -1.858 175.054 176.870 0.070 0.000 0.990 109 L CA -1.304 53.540 54.840 0.008 0.000 0.821 109 L CB 3.144 45.167 42.059 -0.061 0.000 1.279 109 L HN 0.551 8.742 8.230 -0.064 0.000 0.412 110 L N 5.068 126.376 121.223 0.142 0.000 2.343 110 L HA 0.743 5.254 4.340 -0.010 -0.176 0.278 110 L C -1.861 175.022 176.870 0.021 0.000 0.996 110 L CA -1.636 53.239 54.840 0.058 0.000 0.831 110 L CB 3.185 45.290 42.059 0.076 0.000 1.232 110 L HN 0.804 9.126 8.230 0.152 0.000 0.413 111 T N 9.482 124.038 114.554 0.004 0.000 2.823 111 T HA 0.702 5.256 4.350 -0.024 -0.218 0.279 111 T C -0.722 173.980 174.700 0.005 0.000 0.998 111 T CA -0.501 61.593 62.100 -0.009 0.000 0.994 111 T CB 2.000 70.859 68.868 -0.014 0.000 0.960 111 T HN 0.704 8.948 8.240 0.006 0.000 0.448 112 S N 5.381 121.072 115.700 -0.014 0.000 2.638 112 S HA 0.413 5.028 4.470 0.037 -0.123 0.298 112 S C -0.302 174.298 174.600 -0.001 0.000 1.111 112 S CA -0.501 57.700 58.200 0.003 0.000 1.027 112 S CB 2.754 65.939 63.200 -0.025 0.000 1.064 112 S HN 0.233 8.519 8.310 -0.038 0.000 0.525 113 G N 1.217 110.031 108.800 0.024 0.000 2.338 113 G HA2 0.084 4.041 3.960 -0.005 0.000 0.295 113 G HA3 0.084 4.050 3.960 0.011 0.000 0.295 113 G C -1.163 173.721 174.900 -0.027 0.000 1.132 113 G CA 0.146 45.247 45.100 0.002 0.000 0.922 113 G HN 0.289 8.616 8.290 0.063 0.000 0.427 114 T N 2.336 116.867 114.554 -0.038 0.000 2.905 114 T HA 0.315 4.635 4.350 -0.050 0.000 0.283 114 T C -0.481 174.198 174.700 -0.034 0.000 1.031 114 T CA -1.673 60.398 62.100 -0.048 0.000 1.002 114 T CB 2.464 71.287 68.868 -0.075 0.000 1.200 114 T HN -0.076 8.143 8.240 -0.035 0.000 0.560 115 T N -2.834 111.703 114.554 -0.027 0.000 2.847 115 T HA 0.116 4.459 4.350 -0.013 0.000 0.279 115 T C 1.211 175.914 174.700 0.004 0.000 0.984 115 T CA -1.342 60.752 62.100 -0.010 0.000 0.988 115 T CB 1.232 70.097 68.868 -0.004 0.000 1.040 115 T HN -0.119 8.103 8.240 -0.031 0.000 0.528 116 E N 1.641 121.851 120.200 0.017 0.000 2.070 116 E HA -0.433 3.936 4.350 0.032 0.000 0.197 116 E C 2.555 179.198 176.600 0.073 0.000 1.004 116 E CA 3.690 60.112 56.400 0.037 0.000 0.805 116 E CB -0.828 28.893 29.700 0.035 0.000 0.744 116 E HN 0.536 8.904 8.360 0.013 0.000 0.451 117 A N -1.135 121.730 122.820 0.074 0.000 1.997 117 A HA -0.238 4.166 4.320 0.140 0.000 0.221 117 A C 0.790 178.493 177.584 0.199 0.000 1.172 117 A CA 2.676 54.788 52.037 0.124 0.000 0.645 117 A CB -0.632 18.422 19.000 0.090 0.000 0.813 117 A HN 0.338 8.513 8.150 0.051 0.005 0.454 118 N N -4.840 113.906 118.700 0.076 0.000 2.187 118 N HA 0.107 4.803 4.740 -0.074 0.000 0.212 118 N C 1.045 176.426 175.510 -0.214 0.000 1.152 118 N CA 0.029 53.029 53.050 -0.083 0.000 0.872 118 N CB 1.061 39.481 38.487 -0.111 0.000 1.025 118 N HN -0.553 7.702 8.380 0.039 0.149 0.514 119 A N 2.433 125.229 122.820 -0.041 0.000 1.908 119 A HA -0.144 4.130 4.320 -0.076 0.000 0.218 119 A C 1.807 179.350 177.584 -0.069 0.000 1.181 119 A CA 3.182 55.194 52.037 -0.042 0.000 0.627 119 A CB -0.432 18.590 19.000 0.037 0.000 0.818 119 A HN 0.421 8.395 8.150 0.052 0.208 0.445 120 W N -4.681 116.614 121.300 -0.008 0.000 2.364 120 W HA -0.270 4.384 4.660 -0.011 0.000 0.281 120 W C -0.370 176.143 176.519 -0.010 0.000 1.219 120 W CA 1.073 58.412 57.345 -0.010 0.000 1.220 120 W CB -1.047 28.407 29.460 -0.010 0.000 1.127 120 W HN 0.208 8.549 8.180 0.281 0.008 0.556 121 K N -1.868 117.894 120.400 -1.063 0.000 2.699 121 K HA 0.387 4.313 4.320 -0.657 0.000 0.210 121 K C 0.178 176.482 176.600 -0.494 0.000 1.076 121 K CA -0.472 55.218 56.287 -0.995 0.000 1.109 121 K CB -0.268 31.169 32.500 -1.773 0.000 0.862 121 K HN -0.730 6.628 8.250 -1.243 0.146 0.470 122 S N -0.816 114.700 115.700 -0.306 0.000 2.524 122 S HA -0.025 4.329 4.470 -0.194 0.000 0.216 122 S C -0.670 173.860 174.600 -0.117 0.000 0.987 122 S CA 1.463 59.553 58.200 -0.183 0.000 0.909 122 S CB 1.144 64.272 63.200 -0.120 0.000 0.781 122 S HN -0.233 7.853 8.310 -0.264 0.065 0.521 123 T N 4.769 119.260 114.554 -0.105 0.000 2.809 123 T HA 0.669 5.253 4.350 -0.044 -0.260 0.284 123 T C -0.477 174.187 174.700 -0.060 0.000 0.992 123 T CA -0.281 61.782 62.100 -0.063 0.000 0.957 123 T CB 2.225 71.062 68.868 -0.051 0.000 0.942 123 T HN -0.669 7.496 8.240 -0.126 0.000 0.439 124 L N 6.500 127.710 121.223 -0.022 0.000 2.360 124 L HA 0.533 4.834 4.340 -0.064 0.000 0.271 124 L C -1.384 175.423 176.870 -0.105 0.000 1.057 124 L CA -0.755 54.074 54.840 -0.018 0.000 0.803 124 L CB 2.396 44.522 42.059 0.112 0.000 1.207 124 L HN 0.525 8.761 8.230 0.011 0.000 0.445 125 V N 0.509 120.228 119.914 -0.324 0.000 2.841 125 V HA 0.961 4.868 4.120 -0.715 -0.215 0.310 125 V C -1.544 173.909 176.094 -1.069 0.000 1.090 125 V CA -2.340 59.578 62.300 -0.638 0.000 0.930 125 V CB 3.646 35.260 31.823 -0.347 0.000 1.014 125 V HN 0.028 8.062 8.190 -0.262 0.000 0.425 126 G N 5.272 112.985 108.800 -1.811 0.000 2.706 126 G HA2 0.325 3.827 3.960 -0.764 0.000 0.307 126 G HA3 0.325 3.167 3.960 -1.863 0.000 0.307 126 G C -3.325 170.889 174.900 -1.144 0.000 1.307 126 G CA 0.033 44.211 45.100 -1.537 0.000 0.790 126 G HN 0.070 7.206 8.290 -1.924 0.000 0.503 127 H N -3.677 115.113 119.070 -0.467 0.000 2.894 127 H HA 0.648 5.247 4.556 -0.113 -0.110 0.367 127 H C -1.824 173.642 175.328 0.229 0.000 1.144 127 H CA -1.608 54.384 56.048 -0.093 0.000 1.180 127 H CB 3.537 33.246 29.762 -0.088 0.000 1.758 127 H HN 0.081 7.933 8.280 -0.712 0.000 0.541 128 D N 1.393 122.022 120.400 0.383 0.000 2.819 128 D HA 0.276 5.102 4.640 0.093 -0.130 0.232 128 D C -1.337 175.001 176.300 0.064 0.000 1.160 128 D CA -0.112 53.994 54.000 0.177 0.000 0.858 128 D CB 4.871 45.724 40.800 0.088 0.000 1.610 128 D HN 0.451 8.968 8.370 0.438 0.115 0.481 129 T N 4.585 119.081 114.554 -0.096 0.000 2.812 129 T HA 0.704 5.333 4.350 0.150 -0.189 0.282 129 T C -1.074 173.556 174.700 -0.118 0.000 0.990 129 T CA -0.166 61.946 62.100 0.020 0.000 0.960 129 T CB 1.951 70.879 68.868 0.101 0.000 0.948 129 T HN 0.256 8.699 8.240 -0.138 -0.286 0.438 130 F N 6.982 127.086 119.950 0.258 0.000 2.480 130 F HA 0.915 5.885 4.527 0.360 -0.227 0.329 130 F C -0.245 175.853 175.800 0.498 0.000 1.091 130 F CA -1.582 56.630 58.000 0.353 0.000 0.972 130 F CB 3.393 42.569 39.000 0.293 0.000 1.150 130 F HN 0.830 9.378 8.300 0.413 0.000 0.467 131 T N -2.917 112.082 114.554 0.741 0.000 2.865 131 T HA 0.564 5.361 4.350 0.744 0.000 0.294 131 T C 0.057 175.052 174.700 0.492 0.000 1.119 131 T CA -1.879 60.583 62.100 0.602 0.000 1.007 131 T CB 3.293 72.357 68.868 0.326 0.000 1.225 131 T HN 0.749 9.400 8.240 0.684 0.000 0.515 132 K N 1.146 121.613 120.400 0.111 0.000 2.410 132 K HA 0.136 4.534 4.320 -0.090 -0.132 0.200 132 K C -1.322 175.339 176.600 0.101 0.000 1.023 132 K CA 0.548 56.776 56.287 -0.099 0.000 1.149 132 K CB 0.378 32.615 32.500 -0.439 0.000 0.859 132 K HN 0.550 8.851 8.250 0.084 0.000 0.514 133 V N 0.000 119.995 119.914 0.135 0.000 2.409 133 V HA 0.000 4.107 4.120 -0.022 0.000 0.244 133 V CA 0.000 62.313 62.300 0.022 0.000 1.235 133 V CB 0.000 31.834 31.823 0.018 0.000 1.184 133 V HN 0.000 8.213 8.190 0.185 0.088 0.556