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 2izg_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 4.348 4.320 0.046 0.000 0.244 13 A C 0.000 177.623 177.584 0.065 0.000 1.274 13 A CA 0.000 52.070 52.037 0.055 0.000 0.836 13 A CB 0.000 19.027 19.000 0.045 0.000 0.831 14 E N -1.965 118.269 120.200 0.057 0.000 1.975 14 E HA -0.334 4.053 4.350 0.062 0.000 0.192 14 E C -1.420 175.246 176.600 0.109 0.000 1.338 14 E CA 0.457 56.902 56.400 0.076 0.000 0.680 14 E CB -1.504 28.245 29.700 0.083 0.000 1.049 14 E HN -0.047 8.340 8.360 0.046 0.000 0.315 15 A N -1.081 121.770 122.820 0.052 0.000 2.431 15 A HA 0.217 4.600 4.320 0.105 0.000 0.318 15 A C -0.305 177.198 177.584 -0.136 0.000 1.330 15 A CA -0.993 51.020 52.037 -0.041 0.000 0.804 15 A CB 0.496 19.423 19.000 -0.123 0.000 1.135 15 A HN -0.214 7.932 8.150 0.024 0.018 0.483 16 G N 3.804 112.602 108.800 -0.004 0.000 3.541 16 G HA2 0.248 4.179 3.960 -0.047 0.000 0.253 16 G HA3 0.248 4.271 3.960 0.105 0.000 0.253 16 G C -0.708 174.158 174.900 -0.055 0.000 1.017 16 G CA -0.199 44.906 45.100 0.007 0.000 1.832 16 G HN 0.352 8.782 8.290 0.234 0.000 0.649 17 I N 1.416 121.773 120.570 -0.354 0.000 2.400 17 I HA -0.262 3.825 4.170 -0.138 0.000 0.248 17 I C -0.047 176.021 176.117 -0.082 0.000 1.109 17 I CA 1.988 63.072 61.300 -0.360 0.000 1.425 17 I CB 0.412 37.972 38.000 -0.733 0.000 1.094 17 I HN -0.165 7.715 8.210 -0.399 0.091 0.425 18 T N 0.822 115.263 114.554 -0.189 0.000 2.933 18 T HA -0.375 4.019 4.350 -0.227 -0.180 0.306 18 T C -0.133 174.485 174.700 -0.137 0.000 1.045 18 T CA 3.347 65.343 62.100 -0.173 0.000 1.143 18 T CB 0.070 68.839 68.868 -0.165 0.000 1.003 18 T HN -0.368 7.727 8.240 -0.241 0.000 0.540 19 G N 4.015 112.701 108.800 -0.190 0.000 2.340 19 G HA2 -0.170 3.641 3.960 -0.248 0.000 0.282 19 G HA3 -0.170 3.561 3.960 -0.381 0.000 0.282 19 G C -3.212 171.490 174.900 -0.330 0.000 1.312 19 G CA 0.047 44.976 45.100 -0.285 0.000 0.942 19 G HN 0.050 8.206 8.290 -0.224 0.000 0.495 20 T N 2.102 116.399 114.554 -0.428 0.000 2.779 20 T HA 0.750 5.062 4.350 -0.364 -0.181 0.280 20 T C -1.035 173.339 174.700 -0.543 0.000 0.987 20 T CA 0.565 62.415 62.100 -0.417 0.000 0.966 20 T CB 1.243 69.907 68.868 -0.341 0.000 0.933 20 T HN 0.032 8.001 8.240 -0.451 0.000 0.442 21 W N 5.669 126.678 121.300 -0.485 0.000 2.799 21 W HA 0.423 5.170 4.660 -0.075 -0.132 0.349 21 W C -1.747 174.561 176.519 -0.351 0.000 1.100 21 W CA -1.395 55.815 57.345 -0.225 0.000 1.174 21 W CB 3.517 32.981 29.460 0.007 0.000 1.427 21 W HN 0.923 8.884 8.180 -0.185 0.108 0.547 22 Y N -2.660 117.939 120.300 0.498 0.000 2.512 22 Y HA 0.918 5.887 4.550 0.327 -0.223 0.348 22 Y C -0.813 175.305 175.900 0.363 0.000 0.990 22 Y CA -1.938 56.375 58.100 0.356 0.000 1.033 22 Y CB 3.610 42.179 38.460 0.182 0.000 1.259 22 Y HN 1.138 9.707 8.280 0.658 0.106 0.461 23 N N 0.149 119.048 118.700 0.333 0.000 2.592 23 N HA 0.678 5.584 4.740 -0.043 -0.192 0.292 23 N C 1.992 177.537 175.510 0.059 0.000 1.260 23 N CA -2.922 50.109 53.050 -0.032 0.000 0.910 23 N CB 1.939 40.123 38.487 -0.506 0.000 1.257 23 N HN -0.137 8.454 8.380 0.352 0.000 0.569 24 Q N -0.335 119.468 119.800 0.006 0.000 2.368 24 Q HA -0.156 4.216 4.340 0.054 0.000 0.210 24 Q C 0.283 176.311 176.000 0.047 0.000 0.982 24 Q CA 2.242 58.068 55.803 0.039 0.000 0.884 24 Q CB -0.867 27.890 28.738 0.032 0.000 0.933 24 Q HN 0.362 8.597 8.270 -0.059 0.000 0.460 25 L N -2.746 118.511 121.223 0.056 0.000 2.567 25 L HA 0.213 4.583 4.340 0.050 0.000 0.225 25 L C 0.740 177.661 176.870 0.084 0.000 1.119 25 L CA -0.314 54.565 54.840 0.065 0.000 0.871 25 L CB 0.457 42.561 42.059 0.076 0.000 1.036 25 L HN -0.542 7.874 8.230 0.049 -0.157 0.459 26 G N -1.866 107.002 108.800 0.113 0.000 2.131 26 G HA2 -0.364 3.688 3.960 0.154 0.000 0.223 26 G HA3 -0.364 3.654 3.960 0.098 0.000 0.223 26 G C -0.375 174.639 174.900 0.190 0.000 0.990 26 G CA -0.092 45.091 45.100 0.139 0.000 0.671 26 G HN -0.142 8.115 8.290 0.115 0.101 0.521 27 S N 0.794 116.612 115.700 0.196 0.000 2.603 27 S HA 0.109 4.727 4.470 0.148 -0.059 0.268 27 S C -1.000 173.667 174.600 0.111 0.000 1.317 27 S CA 1.838 60.136 58.200 0.163 0.000 1.012 27 S CB 1.646 65.005 63.200 0.265 0.000 0.926 27 S HN -0.278 8.422 8.310 0.187 -0.278 0.539 28 T N 4.540 119.045 114.554 -0.082 0.000 2.807 28 T HA 0.637 5.031 4.350 -0.209 -0.169 0.279 28 T C -1.682 172.786 174.700 -0.387 0.000 0.993 28 T CA -0.210 61.774 62.100 -0.193 0.000 0.970 28 T CB 1.754 70.562 68.868 -0.101 0.000 0.950 28 T HN 0.552 8.724 8.240 -0.113 0.000 0.441 29 F N 8.982 128.622 119.950 -0.517 0.000 2.445 29 F HA 0.613 4.914 4.527 -0.589 -0.127 0.348 29 F C -2.915 172.678 175.800 -0.346 0.000 1.125 29 F CA -2.845 54.829 58.000 -0.544 0.000 0.983 29 F CB 2.894 41.487 39.000 -0.679 0.000 1.198 29 F HN 0.857 9.036 8.300 -0.203 0.000 0.436 30 I N 9.078 129.381 120.570 -0.445 0.000 2.354 30 I HA 0.629 4.720 4.170 -0.451 -0.191 0.286 30 I C -2.295 173.474 176.117 -0.580 0.000 1.007 30 I CA -0.888 60.142 61.300 -0.450 0.000 1.167 30 I CB 1.644 39.490 38.000 -0.257 0.000 1.320 30 I HN 0.717 8.773 8.210 -0.257 0.000 0.458 31 V N 8.163 127.659 119.914 -0.697 0.000 3.040 31 V HA 0.953 4.962 4.120 -0.479 -0.176 0.312 31 V C -2.112 173.755 176.094 -0.379 0.000 1.115 31 V CA -3.473 58.452 62.300 -0.624 0.000 0.998 31 V CB 4.961 36.129 31.823 -1.092 0.000 1.042 31 V HN 0.715 8.532 8.190 -0.622 0.000 0.433 32 T N 7.526 121.908 114.554 -0.288 0.000 2.841 32 T HA 0.257 4.486 4.350 -0.203 0.000 0.285 32 T C -2.235 172.354 174.700 -0.185 0.000 0.991 32 T CA -0.631 61.350 62.100 -0.200 0.000 0.966 32 T CB 1.858 70.646 68.868 -0.133 0.000 0.962 32 T HN 0.467 8.541 8.240 -0.277 0.000 0.438 33 A N 6.987 129.689 122.820 -0.196 0.000 2.288 33 A HA 0.804 5.228 4.320 -0.110 -0.170 0.320 33 A C -0.804 176.796 177.584 0.027 0.000 1.217 33 A CA -2.161 49.770 52.037 -0.176 0.000 0.840 33 A CB 1.833 20.506 19.000 -0.546 0.000 1.179 33 A HN 0.383 8.415 8.150 -0.197 0.000 0.504 34 G N 0.795 109.695 108.800 0.166 0.000 2.400 34 G HA2 0.210 4.206 3.960 0.059 0.000 0.301 34 G HA3 0.210 4.223 3.960 0.087 0.000 0.301 34 G C 0.223 175.222 174.900 0.164 0.000 1.154 34 G CA -1.232 43.938 45.100 0.116 0.000 0.852 34 G HN 0.531 8.857 8.290 0.245 0.111 0.511 35 A N 2.473 125.345 122.820 0.087 0.000 2.084 35 A HA -0.265 4.118 4.320 0.105 0.000 0.221 35 A C 0.289 177.874 177.584 0.002 0.000 1.161 35 A CA 2.549 54.625 52.037 0.064 0.000 0.653 35 A CB -0.383 18.635 19.000 0.029 0.000 0.802 35 A HN 0.597 8.780 8.150 0.055 0.000 0.457 36 D N -4.184 116.202 120.400 -0.024 0.000 2.368 36 D HA -0.013 4.573 4.640 -0.090 0.000 0.218 36 D C -0.438 175.751 176.300 -0.185 0.000 1.112 36 D CA -0.791 53.158 54.000 -0.084 0.000 0.834 36 D CB 0.409 41.182 40.800 -0.045 0.000 0.953 36 D HN -0.349 7.977 8.370 0.007 0.048 0.505 37 G N -2.131 106.483 108.800 -0.310 0.000 2.168 37 G HA2 -0.331 2.716 3.960 -1.522 0.000 0.197 37 G HA3 -0.331 3.374 3.960 -0.426 0.000 0.197 37 G C -1.967 172.859 174.900 -0.122 0.000 0.997 37 G CA -0.037 44.720 45.100 -0.571 0.000 0.658 37 G HN -0.046 7.975 8.290 -0.182 0.160 0.513 38 A N -0.248 122.624 122.820 0.087 0.000 2.279 38 A HA 0.524 5.028 4.320 0.116 -0.114 0.303 38 A C -1.747 175.969 177.584 0.221 0.000 1.108 38 A CA -1.532 50.588 52.037 0.138 0.000 0.830 38 A CB 2.512 21.555 19.000 0.071 0.000 1.106 38 A HN -0.717 7.480 8.150 0.078 0.000 0.493 39 L N 0.557 121.866 121.223 0.142 0.000 2.410 39 L HA 0.990 5.530 4.340 -0.016 -0.209 0.270 39 L C -0.242 176.631 176.870 0.005 0.000 0.983 39 L CA -1.432 53.435 54.840 0.044 0.000 0.822 39 L CB 3.274 45.362 42.059 0.048 0.000 1.285 39 L HN -0.039 8.266 8.230 0.125 0.000 0.409 40 T N -1.389 113.130 114.554 -0.058 0.000 2.903 40 T HA 0.834 5.330 4.350 -0.018 -0.156 0.299 40 T C -0.761 173.871 174.700 -0.112 0.000 1.093 40 T CA -2.167 59.902 62.100 -0.050 0.000 1.002 40 T CB 3.497 72.346 68.868 -0.033 0.000 1.127 40 T HN 0.306 8.484 8.240 -0.104 0.000 0.488 41 G N -0.306 108.443 108.800 -0.084 0.000 2.367 41 G HA2 0.275 4.162 3.960 -0.121 0.000 0.272 41 G HA3 0.275 4.304 3.960 -0.205 -0.192 0.272 41 G C -2.776 172.099 174.900 -0.042 0.000 1.271 41 G CA 1.071 46.100 45.100 -0.118 0.000 0.893 41 G HN -0.359 7.907 8.290 -0.040 0.000 0.485 42 T N -2.551 111.982 114.554 -0.036 0.000 2.896 42 T HA 1.011 5.594 4.350 0.094 -0.176 0.297 42 T C -2.520 172.263 174.700 0.138 0.000 1.108 42 T CA -2.263 59.872 62.100 0.058 0.000 1.004 42 T CB 3.680 72.565 68.868 0.030 0.000 1.159 42 T HN 0.202 8.378 8.240 -0.107 0.000 0.499 43 Y N 1.310 121.676 120.300 0.111 0.000 2.442 43 Y HA 0.713 5.536 4.550 0.160 -0.177 0.344 43 Y C -2.584 173.498 175.900 0.303 0.000 0.976 43 Y CA -1.824 56.382 58.100 0.176 0.000 1.040 43 Y CB 4.697 43.224 38.460 0.112 0.000 1.228 43 Y HN 0.887 9.246 8.280 0.312 0.108 0.451 44 E N 7.274 127.589 120.200 0.193 0.000 2.241 44 E HA 0.521 5.333 4.350 0.544 -0.136 0.263 44 E C -2.248 174.551 176.600 0.332 0.000 0.882 44 E CA -1.640 54.959 56.400 0.331 0.000 0.769 44 E CB 4.081 33.872 29.700 0.151 0.000 1.185 44 E HN 0.694 8.886 8.360 -0.280 0.000 0.415 45 S N 7.524 123.528 115.700 0.506 0.000 2.541 45 S HA 0.234 4.967 4.470 0.438 0.000 0.283 45 S C -0.146 174.568 174.600 0.189 0.000 1.196 45 S CA -1.301 57.128 58.200 0.382 0.000 1.062 45 S CB 1.386 64.721 63.200 0.224 0.000 1.009 45 S HN 0.736 9.405 8.310 0.598 0.000 0.502 46 A N 6.611 129.518 122.820 0.145 0.000 2.178 46 A HA 0.159 4.529 4.320 0.084 0.000 0.211 46 A C -0.435 177.172 177.584 0.038 0.000 1.157 46 A CA 0.774 52.864 52.037 0.087 0.000 0.780 46 A CB 0.602 19.653 19.000 0.085 0.000 0.828 46 A HN 0.427 8.684 8.150 0.179 0.000 0.476 47 V N -5.974 113.944 119.914 0.007 0.000 3.040 47 V HA 0.542 4.639 4.120 -0.037 0.000 0.312 47 V C -0.293 175.716 176.094 -0.141 0.000 1.115 47 V CA -2.067 60.202 62.300 -0.053 0.000 0.998 47 V CB 1.873 33.666 31.823 -0.050 0.000 1.042 47 V HN -0.387 7.770 8.190 0.025 0.048 0.433 48 G N 1.251 109.963 108.800 -0.148 0.000 2.660 48 G HA2 -0.302 3.548 3.960 -0.183 0.000 0.247 48 G HA3 -0.302 3.452 3.960 -0.343 0.000 0.247 48 G C -1.234 173.556 174.900 -0.182 0.000 1.328 48 G CA -0.519 44.448 45.100 -0.221 0.000 0.884 48 G HN 0.341 8.570 8.290 -0.102 0.000 0.531 49 N N 2.860 121.425 118.700 -0.225 0.000 3.124 49 N HA 0.023 4.718 4.740 -0.074 0.000 0.284 49 N C -1.825 173.607 175.510 -0.129 0.000 1.209 49 N CA -0.873 52.095 53.050 -0.137 0.000 1.149 49 N CB -1.440 36.973 38.487 -0.122 0.000 1.434 49 N HN 0.073 8.276 8.380 -0.295 0.000 0.529 50 A N 0.938 123.724 122.820 -0.057 0.000 2.594 50 A HA 0.428 4.929 4.320 0.302 0.000 0.295 50 A C -2.514 175.208 177.584 0.231 0.000 1.071 50 A CA -0.871 51.247 52.037 0.135 0.000 0.685 50 A CB 2.830 21.793 19.000 -0.061 0.000 1.285 50 A HN -0.424 7.639 8.150 -0.055 0.053 0.405 51 E N 0.547 120.985 120.200 0.397 0.000 2.388 51 E HA 0.309 4.736 4.350 0.129 0.000 0.289 51 E C -1.225 175.406 176.600 0.052 0.000 0.944 51 E CA -0.384 56.107 56.400 0.151 0.000 0.792 51 E CB 3.180 32.880 29.700 -0.001 0.000 1.239 51 E HN 0.391 9.188 8.360 0.728 0.000 0.412 52 S N 0.621 116.310 115.700 -0.018 0.000 3.736 52 S HA -0.429 4.104 4.470 -0.074 -0.108 0.635 52 S C -1.564 173.050 174.600 0.024 0.000 2.177 52 S CA 1.156 59.303 58.200 -0.090 0.000 2.442 52 S CB 0.365 63.389 63.200 -0.294 0.000 0.329 52 S HN 0.330 8.648 8.310 0.014 0.000 1.710 53 R N -1.067 119.407 120.500 -0.042 0.000 2.536 53 R HA 0.323 4.973 4.340 0.214 -0.181 0.279 53 R C -0.798 175.376 176.300 -0.211 0.000 1.001 53 R CA -0.144 55.968 56.100 0.019 0.000 1.027 53 R CB 1.382 31.703 30.300 0.036 0.000 1.096 53 R HN -0.085 8.160 8.270 -0.042 0.000 0.502 54 Y N -1.655 118.734 120.300 0.150 0.000 2.545 54 Y HA 0.194 4.791 4.550 0.077 0.000 0.348 54 Y C -0.758 175.163 175.900 0.035 0.000 1.002 54 Y CA -1.245 56.901 58.100 0.076 0.000 1.039 54 Y CB 3.140 41.597 38.460 -0.005 0.000 1.271 54 Y HN 0.210 8.713 8.280 0.372 0.000 0.467 55 V N 2.013 122.010 119.914 0.138 0.000 2.614 55 V HA 0.025 4.320 4.120 0.064 -0.137 0.291 55 V C -0.564 175.566 176.094 0.061 0.000 1.049 55 V CA 1.292 63.636 62.300 0.073 0.000 1.038 55 V CB 0.236 32.084 31.823 0.042 0.000 0.980 55 V HN 0.767 9.043 8.190 0.143 0.000 0.481 56 L N 2.544 123.805 121.223 0.064 0.000 2.354 56 L HA 1.081 5.644 4.340 0.086 -0.171 0.264 56 L C -1.447 175.469 176.870 0.077 0.000 1.008 56 L CA -1.679 53.215 54.840 0.090 0.000 0.819 56 L CB 4.365 46.499 42.059 0.125 0.000 1.339 56 L HN 0.254 8.514 8.230 0.050 0.000 0.420 57 T N 0.988 115.613 114.554 0.118 0.000 2.956 57 T HA 0.658 5.222 4.350 0.074 -0.170 0.312 57 T C -1.433 173.372 174.700 0.176 0.000 1.151 57 T CA -1.323 60.838 62.100 0.102 0.000 1.024 57 T CB 2.295 71.203 68.868 0.067 0.000 1.140 57 T HN -0.232 8.104 8.240 0.160 0.000 0.473 58 G N 2.769 111.672 108.800 0.172 0.000 2.706 58 G HA2 0.702 4.788 3.960 0.209 0.000 0.307 58 G HA3 0.702 4.990 3.960 0.325 -0.133 0.307 58 G C -2.839 172.171 174.900 0.184 0.000 1.307 58 G CA 0.456 45.692 45.100 0.227 0.000 0.790 58 G HN 0.289 8.655 8.290 0.126 0.000 0.503 59 R N -3.334 117.292 120.500 0.211 0.000 2.740 59 R HA 1.121 5.773 4.340 0.190 -0.198 0.273 59 R C -1.734 174.726 176.300 0.266 0.000 0.998 59 R CA -2.207 54.004 56.100 0.185 0.000 0.900 59 R CB 4.807 35.162 30.300 0.091 0.000 1.223 59 R HN 0.130 8.545 8.270 0.242 0.000 0.466 60 Y N -2.708 117.622 120.300 0.051 0.000 2.644 60 Y HA 0.573 5.288 4.550 0.074 -0.120 0.338 60 Y C -2.156 173.767 175.900 0.038 0.000 1.119 60 Y CA -2.538 55.593 58.100 0.051 0.000 1.060 60 Y CB 2.419 40.895 38.460 0.026 0.000 1.294 60 Y HN 0.343 8.633 8.280 0.018 0.000 0.472 61 D N 0.274 120.708 120.400 0.056 0.000 2.338 61 D HA 0.108 4.681 4.640 -0.111 0.000 0.255 61 D C -0.068 176.142 176.300 -0.150 0.000 1.237 61 D CA -0.624 53.346 54.000 -0.051 0.000 0.883 61 D CB 0.956 41.793 40.800 0.062 0.000 1.087 61 D HN -0.063 8.451 8.370 0.240 0.000 0.485 62 S N 3.607 119.092 115.700 -0.359 0.000 2.603 62 S HA -0.137 4.220 4.470 -0.189 0.000 0.220 62 S C -0.490 174.082 174.600 -0.048 0.000 0.967 62 S CA 0.722 58.752 58.200 -0.283 0.000 0.920 62 S CB 0.133 63.096 63.200 -0.396 0.000 0.773 62 S HN 0.047 8.147 8.310 -0.349 0.000 0.529 63 A N 1.444 124.248 122.820 -0.026 0.000 3.308 63 A HA 0.406 4.743 4.320 0.028 0.000 0.275 63 A C -3.223 174.382 177.584 0.036 0.000 0.950 63 A CA -2.341 49.703 52.037 0.012 0.000 0.987 63 A CB 0.219 19.214 19.000 -0.007 0.000 1.146 63 A HN -0.326 7.876 8.150 -0.048 -0.081 0.488 64 P HA -0.098 4.588 4.420 0.072 -0.224 0.269 64 P C -1.124 176.213 177.300 0.062 0.000 1.217 64 P CA -0.234 62.913 63.100 0.080 0.000 0.783 64 P CB 0.893 32.666 31.700 0.122 0.000 0.898 65 A N -1.040 121.814 122.820 0.057 0.000 2.483 65 A HA -0.116 4.227 4.320 0.038 0.000 0.238 65 A C 1.280 178.893 177.584 0.048 0.000 1.070 65 A CA 0.477 52.541 52.037 0.045 0.000 0.770 65 A CB 0.568 19.593 19.000 0.040 0.000 1.008 65 A HN 0.063 8.249 8.150 0.061 0.000 0.497 66 T N -1.740 112.837 114.554 0.040 0.000 3.467 66 T HA -0.023 4.376 4.350 0.045 -0.022 0.232 66 T C -1.303 173.418 174.700 0.035 0.000 0.876 66 T CA -0.951 61.172 62.100 0.038 0.000 0.939 66 T CB -1.162 67.725 68.868 0.032 0.000 1.165 66 T HN 0.017 8.389 8.240 0.034 -0.111 0.615 67 D N -0.865 119.557 120.400 0.037 0.000 2.758 67 D HA 0.000 4.511 4.640 0.029 0.146 0.279 67 D C -0.622 175.699 176.300 0.035 0.000 1.111 67 D CA -1.832 52.187 54.000 0.032 0.000 1.109 67 D CB 1.669 42.487 40.800 0.029 0.000 1.428 67 D HN -0.250 9.015 8.370 0.043 -0.869 0.586 68 G N -2.560 106.258 108.800 0.031 0.000 3.401 68 G HA2 -0.024 3.957 3.960 0.034 0.000 0.251 68 G HA3 -0.024 3.952 3.960 0.026 0.000 0.251 68 G C -0.748 174.171 174.900 0.033 0.000 0.960 68 G CA 0.077 45.195 45.100 0.031 0.000 1.900 68 G HN 0.005 8.311 8.290 0.027 0.000 0.645 69 S N 0.510 116.235 115.700 0.042 0.000 2.718 69 S HA 0.118 4.611 4.470 0.039 0.000 0.300 69 S C -0.212 174.424 174.600 0.060 0.000 1.117 69 S CA -1.380 56.848 58.200 0.047 0.000 1.002 69 S CB 3.309 66.538 63.200 0.049 0.000 1.092 69 S HN -0.482 7.866 8.310 0.047 -0.010 0.542 70 G N -0.486 108.354 108.800 0.067 0.000 2.535 70 G HA2 0.381 4.428 3.960 0.081 0.000 0.303 70 G HA3 0.381 4.499 3.960 0.079 -0.110 0.303 70 G C -1.270 173.713 174.900 0.137 0.000 1.237 70 G CA -0.743 44.411 45.100 0.090 0.000 0.986 70 G HN -0.317 8.107 8.290 0.060 -0.098 0.494 71 T N 3.973 118.652 114.554 0.207 0.000 2.753 71 T HA 0.125 4.588 4.350 0.187 0.000 0.297 71 T C -0.589 174.242 174.700 0.220 0.000 0.981 71 T CA 0.589 62.829 62.100 0.234 0.000 0.956 71 T CB 0.694 69.756 68.868 0.324 0.000 0.936 71 T HN 0.136 8.522 8.240 0.242 0.000 0.463 72 A N 8.775 131.699 122.820 0.173 0.000 2.462 72 A HA 0.520 5.128 4.320 0.158 -0.194 0.243 72 A C -1.336 176.367 177.584 0.198 0.000 1.076 72 A CA -0.009 52.124 52.037 0.160 0.000 0.773 72 A CB 0.911 19.980 19.000 0.114 0.000 1.010 72 A HN 0.673 8.912 8.150 0.148 0.000 0.493 73 L N -4.781 116.565 121.223 0.205 0.000 2.892 73 L HA 0.998 5.606 4.340 0.241 -0.123 0.269 73 L C -1.244 175.770 176.870 0.240 0.000 1.058 73 L CA -0.773 54.218 54.840 0.250 0.000 0.923 73 L CB 3.062 45.292 42.059 0.285 0.000 1.518 73 L HN 0.076 8.417 8.230 0.184 0.000 0.402 74 G N -4.014 104.961 108.800 0.291 0.000 2.632 74 G HA2 0.718 4.904 3.960 0.142 0.000 0.292 74 G HA3 0.718 4.755 3.960 0.129 0.000 0.292 74 G C -3.244 171.882 174.900 0.375 0.000 1.465 74 G CA 0.812 46.048 45.100 0.226 0.000 0.824 74 G HN -0.089 8.395 8.290 0.323 0.000 0.509 75 W N -3.190 118.166 121.300 0.093 0.000 3.066 75 W HA 0.720 5.521 4.660 0.057 -0.107 0.330 75 W C -3.091 173.504 176.519 0.127 0.000 1.253 75 W CA -1.611 55.771 57.345 0.061 0.000 1.187 75 W CB 2.190 31.634 29.460 -0.026 0.000 1.434 75 W HN 0.388 8.474 8.180 -0.157 0.000 0.572 76 T N 1.289 115.988 114.554 0.241 0.000 2.893 76 T HA 0.895 5.478 4.350 0.059 -0.197 0.291 76 T C -1.508 173.253 174.700 0.102 0.000 1.028 76 T CA -0.656 61.510 62.100 0.110 0.000 0.995 76 T CB 3.091 71.985 68.868 0.043 0.000 1.051 76 T HN 0.514 8.939 8.240 0.308 0.000 0.470 77 V N 3.361 123.232 119.914 -0.071 0.000 2.623 77 V HA 0.328 4.469 4.120 -0.212 -0.147 0.304 77 V C -2.359 173.387 176.094 -0.580 0.000 1.054 77 V CA -1.144 60.940 62.300 -0.361 0.000 0.882 77 V CB 3.895 35.270 31.823 -0.747 0.000 1.002 77 V HN 0.239 8.369 8.190 -0.101 0.000 0.424 78 A N 4.935 127.504 122.820 -0.419 0.000 2.288 78 A HA 0.557 4.830 4.320 -0.261 -0.110 0.320 78 A C -0.070 177.306 177.584 -0.345 0.000 1.217 78 A CA -1.721 50.153 52.037 -0.273 0.000 0.840 78 A CB 1.755 20.711 19.000 -0.075 0.000 1.179 78 A HN 0.672 8.653 8.150 -0.281 0.000 0.504 79 W N 5.082 126.328 121.300 -0.091 0.000 1.564 79 W HA -0.099 4.273 4.660 -0.480 0.000 0.448 79 W C -1.331 175.220 176.519 0.053 0.000 0.601 79 W CA -1.207 56.011 57.345 -0.211 0.000 2.326 79 W CB -0.954 28.317 29.460 -0.314 0.000 1.355 79 W HN 0.755 8.914 8.180 -0.035 0.000 0.382 80 K N 0.912 121.515 120.400 0.340 0.000 2.378 80 K HA 0.775 5.474 4.320 0.280 -0.210 0.252 80 K C -1.621 175.164 176.600 0.309 0.000 0.931 80 K CA -1.326 55.130 56.287 0.283 0.000 0.794 80 K CB 3.171 35.746 32.500 0.126 0.000 1.181 80 K HN -0.276 8.045 8.250 0.263 0.087 0.425 81 N N 4.876 123.690 118.700 0.190 0.000 3.449 81 N HA 0.197 4.939 4.740 0.005 0.000 0.312 81 N C -0.843 174.644 175.510 -0.038 0.000 1.582 81 N CA -0.691 52.361 53.050 0.002 0.000 0.850 81 N CB 0.721 39.037 38.487 -0.287 0.000 1.822 81 N HN 0.470 8.966 8.380 0.192 0.000 0.577 82 N N -1.546 117.060 118.700 -0.157 0.000 2.512 82 N HA 0.022 4.664 4.740 -0.163 0.000 0.183 82 N C 0.078 175.380 175.510 -0.345 0.000 1.073 82 N CA 1.882 54.766 53.050 -0.277 0.000 0.911 82 N CB -0.330 37.905 38.487 -0.420 0.000 0.964 82 N HN 0.096 8.371 8.380 -0.175 0.000 0.447 83 Y N -1.812 118.472 120.300 -0.027 0.000 2.266 83 Y HA -0.018 4.534 4.550 0.003 0.000 0.294 83 Y C 0.142 176.064 175.900 0.037 0.000 1.127 83 Y CA 2.116 60.217 58.100 0.001 0.000 1.140 83 Y CB 1.428 39.884 38.460 -0.007 0.000 1.071 83 Y HN -0.237 8.289 8.280 -0.025 -0.261 0.525 84 R N -3.135 117.510 120.500 0.243 0.000 2.837 84 R HA 0.222 4.640 4.340 0.130 0.000 0.271 84 R C -2.405 173.995 176.300 0.167 0.000 0.993 84 R CA -1.236 54.979 56.100 0.191 0.000 0.931 84 R CB 4.113 34.549 30.300 0.226 0.000 1.206 84 R HN 0.050 8.846 8.270 0.269 -0.364 0.474 85 N N 0.196 118.923 118.700 0.045 0.000 2.549 85 N HA 0.317 5.219 4.740 0.011 -0.155 0.281 85 N C -1.171 174.181 175.510 -0.263 0.000 1.084 85 N CA -0.097 52.889 53.050 -0.107 0.000 0.862 85 N CB 1.106 39.459 38.487 -0.223 0.000 1.333 85 N HN 0.301 8.697 8.380 0.026 0.000 0.523 86 A N 2.248 124.987 122.820 -0.135 0.000 2.308 86 A HA 0.124 4.396 4.320 -0.079 0.000 0.217 86 A C 0.384 177.945 177.584 -0.038 0.000 1.216 86 A CA -0.195 51.788 52.037 -0.090 0.000 0.864 86 A CB 0.814 19.782 19.000 -0.053 0.000 0.902 86 A HN 0.509 8.661 8.150 0.003 0.000 0.499 87 H N -1.158 117.964 119.070 0.086 0.000 2.604 87 H HA -0.366 4.232 4.556 0.071 0.000 0.321 87 H C -1.981 173.382 175.328 0.059 0.000 1.132 87 H CA 1.058 57.144 56.048 0.063 0.000 1.129 87 H CB -2.936 26.847 29.762 0.035 0.000 1.526 87 H HN -0.273 7.958 8.280 -0.397 -0.189 0.415 88 S N -4.747 111.055 115.700 0.169 0.000 2.625 88 S HA 0.903 5.564 4.470 0.118 -0.120 0.271 88 S C -2.574 172.177 174.600 0.253 0.000 1.161 88 S CA -0.756 57.545 58.200 0.169 0.000 0.820 88 S CB 4.178 67.439 63.200 0.103 0.000 1.137 88 S HN -0.310 8.101 8.310 0.168 0.000 0.470 89 A N -1.306 121.627 122.820 0.189 0.000 2.520 89 A HA 0.820 5.251 4.320 -0.057 -0.145 0.298 89 A C -2.315 175.290 177.584 0.035 0.000 1.051 89 A CA -0.354 51.716 52.037 0.055 0.000 0.690 89 A CB 3.902 22.889 19.000 -0.021 0.000 1.281 89 A HN 0.583 8.810 8.150 0.129 0.000 0.402 90 T N 4.134 118.645 114.554 -0.072 0.000 2.856 90 T HA 1.034 5.463 4.350 -0.212 -0.207 0.283 90 T C -0.698 173.784 174.700 -0.362 0.000 1.008 90 T CA -1.200 60.732 62.100 -0.279 0.000 0.997 90 T CB 2.459 70.984 68.868 -0.571 0.000 0.992 90 T HN 0.645 8.755 8.240 -0.216 0.000 0.454 91 T N 1.605 115.940 114.554 -0.366 0.000 2.861 91 T HA 0.776 5.235 4.350 -0.140 -0.193 0.287 91 T C -1.369 173.131 174.700 -0.334 0.000 1.003 91 T CA -1.964 59.998 62.100 -0.230 0.000 0.977 91 T CB 2.608 71.406 68.868 -0.116 0.000 0.996 91 T HN 0.444 8.485 8.240 -0.331 0.000 0.448 92 W N 4.490 125.428 121.300 -0.603 0.000 2.529 92 W HA 0.448 5.104 4.660 -0.254 -0.149 0.321 92 W C -1.415 174.815 176.519 -0.481 0.000 1.047 92 W CA -1.334 55.631 57.345 -0.634 0.000 1.216 92 W CB 3.511 32.129 29.460 -1.404 0.000 1.357 92 W HN 0.840 8.868 8.180 -0.253 0.000 0.489 93 S N 1.939 117.620 115.700 -0.031 0.000 2.532 93 S HA 0.772 5.392 4.470 0.024 -0.135 0.299 93 S C -1.118 173.528 174.600 0.075 0.000 1.105 93 S CA -1.361 56.849 58.200 0.017 0.000 1.018 93 S CB 1.736 64.941 63.200 0.008 0.000 1.021 93 S HN 0.488 8.807 8.310 0.016 0.000 0.483 94 G N 3.225 112.094 108.800 0.116 0.000 2.435 94 G HA2 0.529 4.560 3.960 0.117 0.000 0.296 94 G HA3 0.529 4.749 3.960 0.185 -0.149 0.296 94 G C -3.525 171.471 174.900 0.161 0.000 1.240 94 G CA 0.920 46.108 45.100 0.147 0.000 0.872 94 G HN 0.400 8.765 8.290 0.125 0.000 0.480 95 Q N -3.156 116.745 119.800 0.168 0.000 2.416 95 Q HA 0.748 5.382 4.340 0.197 -0.176 0.281 95 Q C -2.564 173.550 176.000 0.189 0.000 1.067 95 Q CA -2.001 53.905 55.803 0.173 0.000 0.809 95 Q CB 4.422 33.236 28.738 0.128 0.000 1.418 95 Q HN 0.016 8.388 8.270 0.169 0.000 0.411 96 Y N 3.045 123.393 120.300 0.079 0.000 2.342 96 Y HA 0.682 5.421 4.550 0.038 -0.166 0.334 96 Y C -2.236 173.718 175.900 0.089 0.000 1.067 96 Y CA -1.564 56.570 58.100 0.056 0.000 1.128 96 Y CB 2.603 41.072 38.460 0.015 0.000 1.200 96 Y HN 0.499 8.845 8.280 0.299 0.114 0.464 97 V N 6.576 126.126 119.914 -0.606 0.000 2.577 97 V HA 0.295 4.226 4.120 -0.314 0.000 0.303 97 V C -1.448 174.194 176.094 -0.753 0.000 1.042 97 V CA -1.224 60.806 62.300 -0.449 0.000 0.872 97 V CB 3.161 34.894 31.823 -0.150 0.000 0.998 97 V HN 0.425 8.259 8.190 -0.593 0.000 0.423 98 G N 4.211 112.675 108.800 -0.561 0.000 2.671 98 G HA2 0.532 4.326 3.960 -0.277 0.000 0.275 98 G HA3 0.532 4.466 3.960 -0.043 0.000 0.275 98 G C -0.665 174.199 174.900 -0.061 0.000 1.368 98 G CA -1.635 43.309 45.100 -0.260 0.000 1.044 98 G HN 0.288 8.377 8.290 -0.336 0.000 0.543 99 G N -2.040 106.772 108.800 0.021 0.000 2.318 99 G HA2 -0.225 3.754 3.960 0.031 0.000 0.367 99 G HA3 -0.225 3.741 3.960 0.009 0.000 0.367 99 G C -0.790 174.125 174.900 0.026 0.000 1.260 99 G CA -0.698 44.415 45.100 0.022 0.000 1.055 99 G HN -0.153 8.177 8.290 0.066 0.000 0.484 100 A N -0.099 122.733 122.820 0.020 0.000 1.873 100 A HA -0.145 4.184 4.320 0.015 0.000 0.218 100 A C 0.198 177.794 177.584 0.020 0.000 1.193 100 A CA 1.894 53.941 52.037 0.017 0.000 0.629 100 A CB 0.181 19.190 19.000 0.015 0.000 0.826 100 A HN 0.195 8.356 8.150 0.018 0.000 0.447 101 E N -1.125 119.092 120.200 0.028 0.000 2.101 101 E HA 0.079 4.454 4.350 0.041 0.000 0.260 101 E C -2.049 174.588 176.600 0.062 0.000 0.897 101 E CA -1.029 55.398 56.400 0.045 0.000 0.744 101 E CB -0.464 29.264 29.700 0.048 0.000 1.140 101 E HN -0.179 8.195 8.360 0.024 0.000 0.419 102 A N 5.665 128.541 122.820 0.093 0.000 2.310 102 A HA 0.496 4.954 4.320 0.009 -0.133 0.299 102 A C -0.786 177.000 177.584 0.337 0.000 1.147 102 A CA -0.753 51.368 52.037 0.140 0.000 0.818 102 A CB 1.595 20.754 19.000 0.265 0.000 1.096 102 A HN 0.359 8.552 8.150 0.073 0.000 0.495 103 R N -1.207 119.443 120.500 0.250 0.000 2.774 103 R HA 0.913 5.790 4.340 0.590 -0.183 0.272 103 R C -1.574 174.822 176.300 0.160 0.000 1.000 103 R CA -1.397 54.900 56.100 0.329 0.000 0.906 103 R CB 5.024 35.446 30.300 0.202 0.000 1.227 103 R HN 0.441 8.721 8.270 0.017 0.000 0.468 104 I N 0.480 121.156 120.570 0.178 0.000 2.411 104 I HA 0.432 4.850 4.170 0.123 -0.174 0.284 104 I C -1.747 174.548 176.117 0.297 0.000 1.012 104 I CA -1.229 60.154 61.300 0.138 0.000 1.119 104 I CB 2.206 40.164 38.000 -0.071 0.000 1.261 104 I HN 0.327 8.722 8.210 0.309 0.000 0.448 105 N N 9.756 128.596 118.700 0.232 0.000 2.437 105 N HA 0.431 5.314 4.740 0.239 0.000 0.259 105 N C -0.930 174.728 175.510 0.247 0.000 0.983 105 N CA 0.130 53.312 53.050 0.220 0.000 0.937 105 N CB 2.143 40.715 38.487 0.140 0.000 1.122 105 N HN 0.323 8.813 8.380 0.183 0.000 0.499 106 T N 0.492 115.231 114.554 0.308 0.000 2.887 106 T HA 0.718 5.336 4.350 0.219 -0.137 0.292 106 T C -1.291 173.560 174.700 0.252 0.000 1.087 106 T CA -2.391 59.893 62.100 0.305 0.000 1.009 106 T CB 3.400 72.556 68.868 0.480 0.000 1.203 106 T HN 0.713 9.149 8.240 0.328 0.000 0.518 107 Q N -0.201 119.693 119.800 0.157 0.000 2.372 107 Q HA 0.730 5.197 4.340 -0.056 -0.161 0.273 107 Q C -1.601 174.389 176.000 -0.017 0.000 1.078 107 Q CA -0.944 54.854 55.803 -0.008 0.000 0.806 107 Q CB 4.753 33.458 28.738 -0.055 0.000 1.332 107 Q HN 0.231 8.587 8.270 0.144 0.000 0.435 108 W N -1.109 120.076 121.300 -0.192 0.000 2.962 108 W HA 0.962 5.524 4.660 -0.406 -0.146 0.341 108 W C -2.952 173.372 176.519 -0.325 0.000 1.155 108 W CA -2.889 54.204 57.345 -0.419 0.000 1.165 108 W CB 3.398 32.335 29.460 -0.873 0.000 1.435 108 W HN 0.912 8.583 8.180 -0.676 0.103 0.546 109 L N -0.363 120.886 121.223 0.044 0.000 2.381 109 L HA 0.721 5.255 4.340 0.015 -0.185 0.274 109 L C -1.819 175.086 176.870 0.059 0.000 0.988 109 L CA -1.223 53.634 54.840 0.029 0.000 0.824 109 L CB 2.959 44.990 42.059 -0.047 0.000 1.263 109 L HN 0.387 8.575 8.230 -0.070 0.000 0.410 110 L N 5.443 126.747 121.223 0.135 0.000 2.316 110 L HA 0.674 5.158 4.340 -0.040 -0.168 0.280 110 L C -1.779 175.099 176.870 0.013 0.000 1.006 110 L CA -1.552 53.307 54.840 0.032 0.000 0.836 110 L CB 2.839 44.910 42.059 0.019 0.000 1.221 110 L HN 0.748 9.086 8.230 0.180 0.000 0.418 111 T N 9.252 123.806 114.554 0.000 0.000 2.794 111 T HA 0.666 5.207 4.350 -0.019 -0.203 0.280 111 T C -0.683 174.021 174.700 0.006 0.000 0.987 111 T CA -0.866 61.230 62.100 -0.006 0.000 0.993 111 T CB 1.950 70.813 68.868 -0.008 0.000 0.939 111 T HN 0.543 8.784 8.240 0.001 0.000 0.449 112 S N 5.625 121.319 115.700 -0.011 0.000 2.593 112 S HA 0.458 5.080 4.470 0.038 -0.129 0.297 112 S C -0.227 174.376 174.600 0.005 0.000 1.112 112 S CA -0.873 57.331 58.200 0.005 0.000 1.043 112 S CB 1.919 65.105 63.200 -0.022 0.000 1.054 112 S HN 0.240 8.531 8.310 -0.032 0.000 0.516 113 G N 2.839 111.658 108.800 0.032 0.000 2.351 113 G HA2 0.072 4.033 3.960 0.002 0.000 0.287 113 G HA3 0.072 4.042 3.960 0.016 0.000 0.287 113 G C -0.600 174.287 174.900 -0.022 0.000 1.159 113 G CA 0.132 45.237 45.100 0.008 0.000 0.929 113 G HN 0.281 8.615 8.290 0.073 0.000 0.435 114 T N 2.130 116.665 114.554 -0.032 0.000 2.807 114 T HA 0.191 4.514 4.350 -0.046 0.000 0.277 114 T C -0.651 174.030 174.700 -0.031 0.000 1.006 114 T CA -1.826 60.248 62.100 -0.044 0.000 1.006 114 T CB 2.395 71.222 68.868 -0.067 0.000 1.274 114 T HN -0.209 8.014 8.240 -0.027 0.000 0.569 115 T N -3.266 111.273 114.554 -0.025 0.000 2.881 115 T HA 0.145 4.489 4.350 -0.011 0.000 0.278 115 T C 1.157 175.861 174.700 0.006 0.000 0.982 115 T CA -1.439 60.655 62.100 -0.009 0.000 0.989 115 T CB 1.390 70.256 68.868 -0.003 0.000 1.058 115 T HN -0.115 8.107 8.240 -0.030 0.000 0.529 116 E N 1.119 121.329 120.200 0.018 0.000 2.070 116 E HA -0.433 3.936 4.350 0.031 0.000 0.197 116 E C 2.537 179.178 176.600 0.069 0.000 1.004 116 E CA 3.738 60.160 56.400 0.035 0.000 0.805 116 E CB -0.740 28.979 29.700 0.031 0.000 0.744 116 E HN 0.516 8.883 8.360 0.013 0.000 0.451 117 A N -1.298 121.566 122.820 0.074 0.000 1.978 117 A HA -0.195 4.209 4.320 0.139 0.000 0.220 117 A C 0.589 178.295 177.584 0.204 0.000 1.170 117 A CA 2.604 54.718 52.037 0.127 0.000 0.636 117 A CB -0.582 18.477 19.000 0.099 0.000 0.810 117 A HN 0.300 8.480 8.150 0.051 0.000 0.448 118 N N -4.078 114.672 118.700 0.082 0.000 2.203 118 N HA 0.097 4.797 4.740 -0.067 0.000 0.207 118 N C 0.882 176.290 175.510 -0.169 0.000 1.130 118 N CA -0.133 52.880 53.050 -0.062 0.000 0.861 118 N CB 0.490 38.918 38.487 -0.098 0.000 1.005 118 N HN -0.625 7.649 8.380 0.046 0.134 0.507 119 A N 1.426 124.236 122.820 -0.017 0.000 1.972 119 A HA -0.116 4.168 4.320 -0.059 0.000 0.219 119 A C 1.665 179.233 177.584 -0.026 0.000 1.169 119 A CA 3.041 55.066 52.037 -0.020 0.000 0.635 119 A CB -0.432 18.592 19.000 0.040 0.000 0.810 119 A HN -0.127 7.866 8.150 0.062 0.195 0.446 120 W N -5.004 116.291 121.300 -0.007 0.000 2.392 120 W HA -0.219 4.435 4.660 -0.010 0.000 0.279 120 W C -0.327 176.186 176.519 -0.010 0.000 1.225 120 W CA 0.633 57.972 57.345 -0.009 0.000 1.233 120 W CB -0.877 28.578 29.460 -0.009 0.000 1.122 120 W HN -0.115 8.204 8.180 0.261 0.018 0.561 121 K N -1.814 118.064 120.400 -0.870 0.000 2.861 121 K HA 0.405 4.433 4.320 -0.487 0.000 0.210 121 K C -0.112 176.240 176.600 -0.413 0.000 1.112 121 K CA -0.576 55.239 56.287 -0.786 0.000 1.076 121 K CB -0.683 30.979 32.500 -1.397 0.000 0.853 121 K HN -0.687 6.821 8.250 -1.017 0.132 0.463 122 S N -0.877 114.671 115.700 -0.254 0.000 2.501 122 S HA -0.033 4.339 4.470 -0.164 0.000 0.220 122 S C -0.895 173.646 174.600 -0.099 0.000 0.997 122 S CA 1.231 59.340 58.200 -0.152 0.000 0.919 122 S CB 0.893 64.035 63.200 -0.097 0.000 0.778 122 S HN -0.349 7.770 8.310 -0.212 0.064 0.523 123 T N 4.201 118.702 114.554 -0.089 0.000 2.809 123 T HA 0.624 5.184 4.350 -0.037 -0.231 0.284 123 T C -0.421 174.251 174.700 -0.048 0.000 0.992 123 T CA -0.278 61.791 62.100 -0.053 0.000 0.957 123 T CB 2.090 70.934 68.868 -0.040 0.000 0.942 123 T HN -0.693 7.447 8.240 -0.106 0.036 0.439 124 L N 6.574 127.792 121.223 -0.009 0.000 2.360 124 L HA 0.519 4.828 4.340 -0.051 0.000 0.271 124 L C -1.287 175.539 176.870 -0.072 0.000 1.057 124 L CA -0.723 54.117 54.840 -0.001 0.000 0.803 124 L CB 2.105 44.242 42.059 0.130 0.000 1.207 124 L HN 0.582 8.823 8.230 0.018 0.000 0.445 125 V N 0.542 120.280 119.914 -0.293 0.000 2.876 125 V HA 0.989 4.963 4.120 -0.593 -0.210 0.312 125 V C -1.424 174.030 176.094 -1.066 0.000 1.085 125 V CA -2.496 59.458 62.300 -0.577 0.000 0.945 125 V CB 3.695 35.322 31.823 -0.326 0.000 1.017 125 V HN 0.030 8.071 8.190 -0.249 0.000 0.428 126 G N 4.867 112.601 108.800 -1.776 0.000 2.619 126 G HA2 0.305 3.776 3.960 -0.815 0.000 0.305 126 G HA3 0.305 2.932 3.960 -2.223 0.000 0.305 126 G C -3.345 170.820 174.900 -1.225 0.000 1.330 126 G CA 0.245 44.349 45.100 -1.659 0.000 0.789 126 G HN -0.018 7.245 8.290 -1.712 0.000 0.487 127 H N -3.970 114.774 119.070 -0.542 0.000 2.894 127 H HA 0.520 5.091 4.556 -0.135 -0.096 0.367 127 H C -1.770 173.682 175.328 0.207 0.000 1.144 127 H CA -1.591 54.381 56.048 -0.126 0.000 1.180 127 H CB 3.460 33.164 29.762 -0.098 0.000 1.758 127 H HN 0.060 7.903 8.280 -0.727 0.000 0.541 128 D N 2.214 122.844 120.400 0.382 0.000 2.738 128 D HA 0.427 5.285 4.640 0.099 -0.159 0.237 128 D C -1.372 174.973 176.300 0.075 0.000 1.123 128 D CA -0.442 53.671 54.000 0.190 0.000 0.856 128 D CB 4.718 45.611 40.800 0.156 0.000 1.552 128 D HN 0.163 8.692 8.370 0.442 0.106 0.480 129 T N 4.147 118.654 114.554 -0.079 0.000 2.812 129 T HA 0.735 5.360 4.350 0.168 -0.175 0.282 129 T C -1.068 173.588 174.700 -0.074 0.000 0.990 129 T CA -0.290 61.834 62.100 0.041 0.000 0.960 129 T CB 1.775 70.708 68.868 0.108 0.000 0.948 129 T HN 0.460 8.953 8.240 -0.126 -0.328 0.438 130 F N 6.558 126.664 119.950 0.261 0.000 2.492 130 F HA 0.915 5.876 4.527 0.354 -0.222 0.327 130 F C -0.197 175.901 175.800 0.496 0.000 1.079 130 F CA -1.708 56.501 58.000 0.350 0.000 0.967 130 F CB 3.647 42.817 39.000 0.284 0.000 1.169 130 F HN 0.908 9.475 8.300 0.445 0.000 0.472 131 T N -3.741 111.258 114.554 0.741 0.000 2.841 131 T HA 0.567 5.486 4.350 0.705 -0.146 0.296 131 T C -0.009 174.952 174.700 0.436 0.000 1.166 131 T CA -1.838 60.610 62.100 0.579 0.000 1.007 131 T CB 3.469 72.526 68.868 0.316 0.000 1.253 131 T HN 0.756 9.411 8.240 0.692 0.000 0.511 132 K N 1.656 122.093 120.400 0.063 0.000 2.446 132 K HA 0.300 4.713 4.320 -0.063 -0.130 0.203 132 K C -1.304 175.361 176.600 0.108 0.000 1.027 132 K CA 0.224 56.451 56.287 -0.100 0.000 1.166 132 K CB 0.330 32.561 32.500 -0.448 0.000 0.869 132 K HN 0.553 8.818 8.250 0.025 0.000 0.504 133 V N 0.000 120.011 119.914 0.162 0.000 2.409 133 V HA 0.000 4.124 4.120 0.006 0.000 0.244 133 V CA 0.000 62.332 62.300 0.054 0.000 1.235 133 V CB 0.000 31.848 31.823 0.042 0.000 1.184 133 V HN 0.000 8.207 8.190 0.216 0.112 0.556