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 2jty_1_A DATA FIRST_RESID 1 DATA SEQUENCE AATTVNGGTV HFKGEVVNAA cAVDAGSVDQ TVQLGQVRTA SLAQEGATSS DATA SEQUENCE AVGFNIQLND cDTNVASKAA VAFLGTAIDA GHTNVLALQS SAAGSATNVG DATA SEQUENCE VQILDRTGAA LTLDGATFSS ETTLNNGTNT IPFQARYFAT GAATPGAANA DATA SEQUENCE DATFKVQYQG GGGGGAATTV NGGTVHFKGE VVNA 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 1 A HA 0.000 4.328 4.320 0.014 0.000 0.244 1 A C 0.000 177.594 177.584 0.016 0.000 1.274 1 A CA 0.000 52.046 52.037 0.014 0.000 0.836 1 A CB 0.000 19.008 19.000 0.014 0.000 0.831 2 A N 4.477 127.307 122.820 0.017 0.000 1.940 2 A HA -0.256 4.076 4.320 0.020 0.000 0.221 2 A C -0.039 177.557 177.584 0.021 0.000 1.190 2 A CA 1.247 53.296 52.037 0.019 0.000 0.647 2 A CB -0.383 18.629 19.000 0.020 0.000 0.821 2 A HN 0.368 8.528 8.150 0.016 0.000 0.457 3 T N -1.440 113.126 114.554 0.020 0.000 3.357 3 T HA -0.222 4.141 4.350 0.021 0.000 0.422 3 T C -1.135 173.578 174.700 0.022 0.000 0.768 3 T CA 0.679 62.791 62.100 0.021 0.000 2.153 3 T CB -0.637 68.242 68.868 0.019 0.000 1.688 3 T HN -0.151 8.094 8.240 0.019 0.007 0.659 4 T N 0.362 114.930 114.554 0.024 0.000 2.816 4 T HA 0.134 4.497 4.350 0.022 0.000 0.299 4 T C -1.544 173.173 174.700 0.028 0.000 1.230 4 T CA -0.779 61.335 62.100 0.024 0.000 1.007 4 T CB 1.029 69.911 68.868 0.024 0.000 1.289 4 T HN -0.511 7.743 8.240 0.025 0.000 0.508 5 V N 1.841 121.771 119.914 0.026 0.000 3.547 5 V HA -0.135 3.997 4.120 0.020 0.000 0.507 5 V C -0.385 175.739 176.094 0.050 0.000 0.682 5 V CA 0.433 62.753 62.300 0.033 0.000 2.059 5 V CB 0.490 32.337 31.823 0.040 0.000 2.485 5 V HN 0.229 8.430 8.190 0.019 0.000 0.509 6 N N 4.105 122.844 118.700 0.066 0.000 2.135 6 N HA -0.090 4.695 4.740 0.075 0.000 0.186 6 N C -0.146 175.452 175.510 0.147 0.000 1.027 6 N CA 1.131 54.242 53.050 0.103 0.000 0.849 6 N CB 0.760 39.318 38.487 0.118 0.000 1.002 6 N HN 0.445 8.853 8.380 0.046 0.000 0.425 7 G N -1.352 107.566 108.800 0.196 0.000 2.299 7 G HA2 -0.099 3.924 3.960 0.105 0.000 0.219 7 G HA3 -0.099 3.940 3.960 0.132 0.000 0.219 7 G C -1.664 173.371 174.900 0.225 0.000 2.786 7 G CA -0.361 44.837 45.100 0.163 0.000 1.025 7 G HN -0.001 8.417 8.290 0.212 0.000 0.582 8 G N 0.249 109.163 108.800 0.190 0.000 2.339 8 G HA2 -0.146 3.862 3.960 0.080 0.000 0.381 8 G HA3 -0.146 3.943 3.960 0.216 0.000 0.381 8 G C -1.717 173.302 174.900 0.199 0.000 1.400 8 G CA -0.322 44.886 45.100 0.180 0.000 1.002 8 G HN -0.515 7.866 8.290 0.152 0.000 0.633 9 T N 3.079 117.717 114.554 0.139 0.000 2.978 9 T HA 0.016 4.417 4.350 0.086 0.000 0.278 9 T C -0.157 174.629 174.700 0.142 0.000 0.945 9 T CA -0.124 62.038 62.100 0.103 0.000 1.070 9 T CB -0.312 68.590 68.868 0.057 0.000 0.948 9 T HN 0.101 8.411 8.240 0.116 0.000 0.617 10 V N 4.505 124.498 119.914 0.132 0.000 5.953 10 V HA -0.407 3.732 4.120 0.031 0.000 0.213 10 V C -0.849 175.322 176.094 0.129 0.000 0.673 10 V CA 0.586 62.935 62.300 0.083 0.000 0.618 10 V CB -1.299 30.556 31.823 0.054 0.000 0.533 10 V HN -0.005 8.217 8.190 0.124 0.042 0.447 11 H N -1.096 118.054 119.070 0.134 0.000 2.794 11 H HA 0.162 4.691 4.556 -0.046 0.000 0.256 11 H C -0.776 174.396 175.328 -0.259 0.000 1.637 11 H CA -1.357 54.651 56.048 -0.067 0.000 1.222 11 H CB -1.467 28.202 29.762 -0.154 0.000 1.545 11 H HN 0.229 8.293 8.280 -0.359 0.000 0.518 12 F N 1.280 121.220 119.950 -0.017 0.000 2.722 12 F HA 0.137 4.662 4.527 -0.003 0.000 0.336 12 F C -0.700 175.086 175.800 -0.025 0.000 1.216 12 F CA -0.328 57.654 58.000 -0.031 0.000 1.065 12 F CB 2.782 41.734 39.000 -0.079 0.000 1.325 12 F HN -0.248 8.074 8.300 0.186 0.090 0.524 13 K N 2.945 123.429 120.400 0.139 0.000 3.309 13 K HA 0.222 4.587 4.320 0.073 0.000 0.187 13 K C 0.001 176.637 176.600 0.061 0.000 1.085 13 K CA -0.352 55.981 56.287 0.077 0.000 0.867 13 K CB 0.773 33.300 32.500 0.045 0.000 0.846 13 K HN 0.113 8.432 8.250 0.115 0.000 0.522 14 G N 1.381 110.225 108.800 0.074 0.000 2.404 14 G HA2 -0.248 3.740 3.960 0.047 0.000 0.215 14 G HA3 -0.248 3.743 3.960 0.053 0.000 0.215 14 G C 0.045 174.960 174.900 0.025 0.000 1.174 14 G CA 1.642 46.772 45.100 0.050 0.000 0.780 14 G HN 0.160 8.508 8.290 0.097 0.000 0.537 15 E N -0.509 119.701 120.200 0.016 0.000 2.549 15 E HA 0.095 4.447 4.350 0.003 0.000 0.200 15 E C -0.507 176.094 176.600 0.002 0.000 0.732 15 E CA -1.027 55.375 56.400 0.003 0.000 0.987 15 E CB 1.205 30.900 29.700 -0.008 0.000 1.810 15 E HN -0.515 7.858 8.360 0.020 0.000 0.377 16 V N 3.566 123.478 119.914 -0.004 0.000 2.106 16 V HA -0.061 4.058 4.120 -0.001 0.000 0.235 16 V C -0.441 175.649 176.094 -0.006 0.000 1.454 16 V CA 0.475 62.773 62.300 -0.003 0.000 1.458 16 V CB -1.127 30.696 31.823 -0.001 0.000 1.506 16 V HN 0.221 8.406 8.190 -0.008 0.000 0.498 17 V N 5.874 125.785 119.914 -0.005 0.000 2.159 17 V HA 0.064 4.174 4.120 -0.016 0.000 0.296 17 V C -1.306 174.774 176.094 -0.024 0.000 1.762 17 V CA -0.507 61.787 62.300 -0.010 0.000 1.708 17 V CB -2.873 28.954 31.823 0.006 0.000 1.484 17 V HN -0.147 7.982 8.190 0.001 0.062 0.512 18 N N 4.698 123.379 118.700 -0.032 0.000 2.623 18 N HA 0.107 4.795 4.740 -0.086 0.000 0.256 18 N C -1.914 173.529 175.510 -0.111 0.000 1.045 18 N CA -0.033 52.976 53.050 -0.068 0.000 0.863 18 N CB 1.429 39.886 38.487 -0.050 0.000 1.182 18 N HN -0.298 7.990 8.380 -0.017 0.082 0.523 19 A N 2.759 125.461 122.820 -0.196 0.000 2.375 19 A HA 0.262 4.160 4.320 -0.702 0.000 0.291 19 A C -0.912 176.323 177.584 -0.583 0.000 1.160 19 A CA -0.994 50.801 52.037 -0.403 0.000 0.747 19 A CB 2.015 21.010 19.000 -0.008 0.000 1.170 19 A HN -0.008 8.044 8.150 -0.164 0.000 0.458 20 A N 3.392 125.534 122.820 -1.129 0.000 1.997 20 A HA -0.258 3.836 4.320 -0.377 0.000 0.221 20 A C -0.676 176.757 177.584 -0.251 0.000 1.172 20 A CA 2.143 53.827 52.037 -0.587 0.000 0.645 20 A CB 0.161 18.829 19.000 -0.553 0.000 0.813 20 A HN 0.496 7.485 8.150 -1.934 0.000 0.454 21 c N -5.618 112.889 118.600 -0.155 0.000 2.634 21 c HA 0.420 5.271 4.570 0.020 -0.270 0.313 21 c C -0.101 174.035 174.090 0.078 0.000 1.198 21 c CA -1.782 54.577 56.329 0.050 0.000 1.605 21 c CB 1.954 44.577 42.510 0.189 0.000 2.196 21 c HN -1.010 6.962 8.230 -0.332 0.059 0.486 22 A N 1.715 124.571 122.820 0.060 0.000 2.275 22 A HA 0.206 4.543 4.320 0.027 0.000 0.212 22 A C -0.329 177.293 177.584 0.064 0.000 1.201 22 A CA -0.702 51.360 52.037 0.043 0.000 0.843 22 A CB 1.076 20.087 19.000 0.019 0.000 0.873 22 A HN 0.678 8.859 8.150 0.053 0.000 0.492 23 V N -0.296 119.684 119.914 0.109 0.000 3.802 23 V HA -0.527 3.847 4.120 0.150 -0.164 0.508 23 V C -1.031 175.118 176.094 0.092 0.000 0.682 23 V CA 1.259 63.638 62.300 0.131 0.000 2.028 23 V CB 0.425 32.355 31.823 0.179 0.000 2.432 23 V HN -0.383 7.803 8.190 0.131 0.083 0.510 24 D N 7.594 128.049 120.400 0.092 0.000 2.506 24 D HA -0.168 4.504 4.640 0.053 0.000 0.234 24 D C 1.470 177.809 176.300 0.066 0.000 1.143 24 D CA 0.644 54.685 54.000 0.069 0.000 0.871 24 D CB 1.555 42.396 40.800 0.068 0.000 1.190 24 D HN -0.322 8.112 8.370 0.107 0.000 0.459 25 A N 6.750 129.597 122.820 0.044 0.000 1.948 25 A HA -0.249 4.090 4.320 0.032 0.000 0.220 25 A C 1.562 179.175 177.584 0.048 0.000 1.177 25 A CA 2.800 54.859 52.037 0.036 0.000 0.636 25 A CB 0.014 19.027 19.000 0.021 0.000 0.815 25 A HN 0.349 8.521 8.150 0.036 0.000 0.449 26 G N -5.541 103.289 108.800 0.049 0.000 2.990 26 G HA2 -0.101 3.885 3.960 0.045 0.000 0.206 26 G HA3 -0.101 3.887 3.960 0.047 0.000 0.206 26 G C -0.198 174.743 174.900 0.068 0.000 1.169 26 G CA 0.580 45.711 45.100 0.052 0.000 0.819 26 G HN -0.382 8.208 8.290 0.046 -0.272 0.517 27 S N -2.008 113.745 115.700 0.088 0.000 2.917 27 S HA 0.075 4.598 4.470 0.088 0.000 0.269 27 S C 0.512 175.221 174.600 0.182 0.000 1.072 27 S CA 0.576 58.844 58.200 0.113 0.000 0.967 27 S CB 1.799 65.072 63.200 0.122 0.000 0.906 27 S HN -0.471 7.695 8.310 0.088 0.197 0.463 28 V N 3.927 123.952 119.914 0.185 0.000 2.287 28 V HA -0.348 3.980 4.120 0.346 0.000 0.248 28 V C -1.307 174.881 176.094 0.156 0.000 1.053 28 V CA 3.634 66.051 62.300 0.195 0.000 1.027 28 V CB 0.569 32.429 31.823 0.062 0.000 0.646 28 V HN -0.030 8.239 8.190 0.132 0.000 0.447 29 D N -3.473 116.988 120.400 0.102 0.000 2.456 29 D HA 0.281 5.118 4.640 0.069 -0.155 0.287 29 D C -1.682 174.702 176.300 0.140 0.000 1.186 29 D CA -1.212 52.854 54.000 0.110 0.000 0.916 29 D CB 0.544 41.409 40.800 0.109 0.000 1.029 29 D HN -0.833 7.590 8.370 0.089 0.000 0.498 30 Q N 2.605 122.467 119.800 0.104 0.000 2.282 30 Q HA 0.410 4.787 4.340 0.062 0.000 0.260 30 Q C -1.372 174.670 176.000 0.071 0.000 0.964 30 Q CA -1.499 54.338 55.803 0.057 0.000 0.880 30 Q CB 2.651 31.390 28.738 0.002 0.000 1.286 30 Q HN -0.333 7.969 8.270 0.053 0.000 0.445 31 T N 5.941 120.517 114.554 0.037 0.000 2.929 31 T HA 0.348 4.897 4.350 0.034 -0.178 0.331 31 T C -0.565 174.125 174.700 -0.017 0.000 1.120 31 T CA -0.146 61.957 62.100 0.004 0.000 0.973 31 T CB 0.240 69.076 68.868 -0.052 0.000 1.036 31 T HN 0.368 8.622 8.240 0.023 0.000 0.502 32 V N 8.297 128.171 119.914 -0.067 0.000 2.356 32 V HA -0.089 4.049 4.120 0.030 0.000 0.258 32 V C -1.105 175.034 176.094 0.076 0.000 1.065 32 V CA -0.191 62.108 62.300 -0.002 0.000 0.935 32 V CB -0.092 31.688 31.823 -0.072 0.000 1.061 32 V HN 0.394 8.392 8.190 -0.156 0.099 0.484 33 Q N 8.549 128.394 119.800 0.075 0.000 2.441 33 Q HA 0.083 4.669 4.340 0.109 -0.181 0.234 33 Q C -0.105 175.956 176.000 0.102 0.000 1.078 33 Q CA -0.379 55.478 55.803 0.090 0.000 0.907 33 Q CB -0.675 28.102 28.738 0.065 0.000 1.269 33 Q HN 0.421 8.730 8.270 0.064 0.000 0.502 34 L N 3.377 124.674 121.223 0.123 0.000 2.552 34 L HA -0.031 4.355 4.340 0.076 0.000 0.227 34 L C 0.090 177.068 176.870 0.180 0.000 1.146 34 L CA 0.532 55.441 54.840 0.115 0.000 0.858 34 L CB -0.288 41.764 42.059 -0.012 0.000 0.969 34 L HN 0.672 8.895 8.230 0.154 0.100 0.451 35 G N -2.617 106.281 108.800 0.163 0.000 2.752 35 G HA2 -0.365 3.653 3.960 0.097 0.000 0.234 35 G HA3 -0.365 3.654 3.960 0.098 0.000 0.234 35 G C -1.693 173.286 174.900 0.132 0.000 1.367 35 G CA -0.697 44.477 45.100 0.122 0.000 0.879 35 G HN -0.781 7.542 8.290 0.153 0.059 0.563 36 Q N 0.459 120.302 119.800 0.072 0.000 2.327 36 Q HA 0.108 4.673 4.340 0.013 -0.218 0.254 36 Q C 0.077 176.100 176.000 0.039 0.000 0.952 36 Q CA 0.386 56.210 55.803 0.034 0.000 0.884 36 Q CB 1.077 29.823 28.738 0.013 0.000 1.224 36 Q HN 0.065 8.370 8.270 0.059 0.000 0.422 37 V N 2.004 121.918 119.914 0.001 0.000 2.864 37 V HA 0.428 4.568 4.120 0.034 0.000 0.314 37 V C -1.231 174.846 176.094 -0.029 0.000 1.073 37 V CA -1.701 60.602 62.300 0.005 0.000 0.956 37 V CB 4.090 35.923 31.823 0.017 0.000 1.023 37 V HN 0.286 8.447 8.190 -0.048 0.000 0.435 38 R N 3.167 123.657 120.500 -0.018 0.000 2.390 38 R HA 0.533 5.031 4.340 -0.030 -0.176 0.291 38 R C 2.150 178.425 176.300 -0.041 0.000 1.070 38 R CA -0.729 55.354 56.100 -0.027 0.000 1.014 38 R CB 0.563 30.853 30.300 -0.018 0.000 1.007 38 R HN 0.446 8.714 8.270 -0.003 0.000 0.466 39 T N 2.492 117.017 114.554 -0.049 0.000 2.929 39 T HA -0.291 4.018 4.350 -0.068 0.000 0.271 39 T C 1.492 176.163 174.700 -0.049 0.000 1.085 39 T CA 3.451 65.517 62.100 -0.056 0.000 1.125 39 T CB -0.477 68.360 68.868 -0.052 0.000 0.874 39 T HN 0.426 8.639 8.240 -0.045 0.000 0.494 40 A N 2.061 124.858 122.820 -0.038 0.000 1.903 40 A HA -0.231 4.068 4.320 -0.035 0.000 0.219 40 A C 1.180 178.740 177.584 -0.041 0.000 1.191 40 A CA 2.583 54.599 52.037 -0.035 0.000 0.638 40 A CB -1.182 17.803 19.000 -0.026 0.000 0.823 40 A HN 0.271 8.370 8.150 -0.034 0.030 0.451 41 S N -3.865 111.812 115.700 -0.039 0.000 2.660 41 S HA -0.056 4.389 4.470 -0.042 0.000 0.223 41 S C -0.726 173.835 174.600 -0.065 0.000 0.963 41 S CA 0.922 59.097 58.200 -0.042 0.000 0.932 41 S CB 0.308 63.495 63.200 -0.021 0.000 0.775 41 S HN -0.456 7.826 8.310 -0.033 0.008 0.531 42 L N -1.714 119.463 121.223 -0.076 0.000 2.475 42 L HA 0.339 4.599 4.340 -0.134 0.000 0.253 42 L C -1.420 175.392 176.870 -0.098 0.000 1.483 42 L CA -0.425 54.354 54.840 -0.102 0.000 0.869 42 L CB 0.096 42.099 42.059 -0.093 0.000 1.086 42 L HN -0.574 7.401 8.230 -0.065 0.216 0.514 43 A N -0.355 122.403 122.820 -0.102 0.000 2.606 43 A HA 0.262 4.538 4.320 -0.074 0.000 0.230 43 A C -0.658 176.875 177.584 -0.085 0.000 1.279 43 A CA 0.264 52.253 52.037 -0.081 0.000 1.010 43 A CB 1.628 20.591 19.000 -0.062 0.000 1.271 43 A HN 0.254 8.335 8.150 -0.115 0.000 0.584 44 Q N -2.778 116.952 119.800 -0.115 0.000 2.511 44 Q HA 0.158 4.448 4.340 -0.083 0.000 0.289 44 Q C -2.444 173.450 176.000 -0.177 0.000 1.021 44 Q CA -2.091 53.646 55.803 -0.110 0.000 0.785 44 Q CB 1.322 30.011 28.738 -0.082 0.000 1.472 44 Q HN -0.508 7.672 8.270 -0.149 0.000 0.411 45 E N 1.317 121.438 120.200 -0.133 0.000 2.406 45 E HA -0.500 3.842 4.350 -0.267 -0.152 0.258 45 E C 0.803 177.263 176.600 -0.234 0.000 1.043 45 E CA 1.641 57.945 56.400 -0.160 0.000 0.929 45 E CB -0.628 29.086 29.700 0.022 0.000 0.969 45 E HN 0.247 8.562 8.360 -0.073 0.000 0.462 46 G N 6.402 114.808 108.800 -0.657 0.000 2.218 46 G HA2 -0.377 3.091 3.960 -0.820 0.000 0.216 46 G HA3 -0.377 3.485 3.960 -0.164 0.000 0.216 46 G C -1.066 173.523 174.900 -0.518 0.000 0.994 46 G CA -0.351 44.399 45.100 -0.583 0.000 0.637 46 G HN 0.805 8.408 8.290 -1.146 0.000 0.505 47 A N 1.373 123.916 122.820 -0.462 0.000 2.483 47 A HA 0.057 4.264 4.320 -0.187 0.000 0.238 47 A C -1.723 175.677 177.584 -0.306 0.000 1.070 47 A CA 1.011 52.874 52.037 -0.289 0.000 0.770 47 A CB 0.686 19.557 19.000 -0.216 0.000 1.008 47 A HN -0.130 7.576 8.150 -0.466 0.165 0.497 48 T N -3.460 111.014 114.554 -0.133 0.000 2.883 48 T HA 0.879 5.394 4.350 -0.033 -0.185 0.301 48 T C -0.190 174.515 174.700 0.009 0.000 1.158 48 T CA -3.214 58.863 62.100 -0.038 0.000 1.007 48 T CB 3.660 72.544 68.868 0.026 0.000 1.186 48 T HN -0.393 7.789 8.240 -0.096 0.000 0.499 49 S N 3.585 119.327 115.700 0.069 0.000 2.634 49 S HA 0.030 4.540 4.470 0.066 0.000 0.254 49 S C 0.698 175.329 174.600 0.052 0.000 1.299 49 S CA -0.510 57.744 58.200 0.089 0.000 0.974 49 S CB 1.592 64.917 63.200 0.208 0.000 1.001 49 S HN 0.086 8.460 8.310 0.107 0.000 0.584 50 S N 1.602 117.332 115.700 0.051 0.000 2.440 50 S HA -0.182 4.302 4.470 0.023 0.000 0.238 50 S C 0.049 174.666 174.600 0.027 0.000 1.010 50 S CA 1.892 60.112 58.200 0.033 0.000 0.972 50 S CB -0.003 63.217 63.200 0.034 0.000 0.774 50 S HN 0.181 8.531 8.310 0.068 0.000 0.501 51 A N -2.204 120.633 122.820 0.028 0.000 2.556 51 A HA -0.319 4.098 4.320 -0.013 -0.105 0.682 51 A C -1.640 175.956 177.584 0.020 0.000 0.218 51 A CA 0.823 52.865 52.037 0.009 0.000 0.079 51 A CB 0.044 19.046 19.000 0.004 0.000 3.949 51 A HN -0.783 7.361 8.150 0.045 0.033 0.546 52 V N -2.082 117.849 119.914 0.028 0.000 2.932 52 V HA 0.193 4.342 4.120 0.048 0.000 0.307 52 V C -1.059 175.086 176.094 0.085 0.000 1.147 52 V CA -0.480 61.856 62.300 0.060 0.000 0.951 52 V CB 3.947 35.818 31.823 0.080 0.000 1.031 52 V HN 0.229 8.431 8.190 0.020 0.000 0.426 53 G N 3.805 112.643 108.800 0.063 0.000 2.322 53 G HA2 0.467 4.559 3.960 -0.027 0.000 0.309 53 G HA3 0.467 4.414 3.960 -0.022 0.000 0.309 53 G C -2.116 172.854 174.900 0.116 0.000 1.121 53 G CA -0.883 44.231 45.100 0.024 0.000 0.886 53 G HN 0.012 8.335 8.290 0.056 0.000 0.447 54 F N 2.821 122.818 119.950 0.078 0.000 2.556 54 F HA 0.502 5.067 4.527 0.064 0.000 0.327 54 F C -2.311 173.569 175.800 0.133 0.000 1.059 54 F CA -2.675 55.381 58.000 0.092 0.000 0.953 54 F CB 2.433 41.497 39.000 0.107 0.000 1.227 54 F HN -0.217 7.938 8.300 -0.242 0.000 0.478 55 N N -1.409 117.422 118.700 0.218 0.000 2.629 55 N HA 0.589 5.462 4.740 0.046 -0.105 0.279 55 N C -0.972 174.680 175.510 0.236 0.000 1.344 55 N CA -1.320 51.808 53.050 0.130 0.000 0.789 55 N CB 4.343 42.855 38.487 0.041 0.000 1.508 55 N HN -0.005 8.557 8.380 0.304 0.000 0.516 56 I N 0.622 121.298 120.570 0.176 0.000 2.420 56 I HA 0.111 4.322 4.170 0.068 0.000 0.282 56 I C -1.126 175.059 176.117 0.114 0.000 1.019 56 I CA -2.553 58.811 61.300 0.108 0.000 1.130 56 I CB -0.563 37.468 38.000 0.053 0.000 1.262 56 I HN 0.604 8.907 8.210 0.155 0.000 0.454 57 Q N 7.391 127.255 119.800 0.108 0.000 2.344 57 Q HA 0.141 4.531 4.340 0.083 0.000 0.253 57 Q C -1.311 174.759 176.000 0.118 0.000 1.050 57 Q CA -1.119 54.742 55.803 0.096 0.000 0.912 57 Q CB 0.188 28.974 28.738 0.080 0.000 1.258 57 Q HN 0.190 8.525 8.270 0.108 0.000 0.443 58 L N 8.460 129.755 121.223 0.120 0.000 2.277 58 L HA 0.277 4.711 4.340 0.155 0.000 0.284 58 L C -1.886 175.047 176.870 0.105 0.000 1.028 58 L CA -1.310 53.614 54.840 0.141 0.000 0.835 58 L CB 0.813 42.979 42.059 0.178 0.000 1.215 58 L HN 0.844 9.136 8.230 0.103 0.000 0.425 59 N N 3.622 122.376 118.700 0.089 0.000 2.493 59 N HA 0.043 4.818 4.740 0.058 0.000 0.275 59 N C -0.685 174.858 175.510 0.055 0.000 1.186 59 N CA -0.444 52.644 53.050 0.064 0.000 0.978 59 N CB 1.572 40.090 38.487 0.052 0.000 1.184 59 N HN 0.310 8.749 8.380 0.097 0.000 0.487 60 D N -0.769 119.655 120.400 0.040 0.000 2.779 60 D HA -0.411 4.313 4.640 0.026 -0.069 0.223 60 D C 0.049 176.363 176.300 0.023 0.000 1.227 60 D CA 1.542 55.558 54.000 0.027 0.000 0.653 60 D CB -0.482 40.330 40.800 0.019 0.000 0.973 60 D HN 0.487 8.880 8.370 0.039 0.000 0.402 61 c N -0.659 117.964 118.600 0.038 0.000 2.657 61 c HA -0.179 4.482 4.570 0.029 -0.074 0.420 61 c C -0.502 173.597 174.090 0.014 0.000 1.323 61 c CA 0.921 57.273 56.329 0.038 0.000 1.894 61 c CB -0.111 42.443 42.510 0.073 0.000 2.681 61 c HN 0.397 8.552 8.230 0.046 0.102 0.613 62 D N 3.414 123.809 120.400 -0.009 0.000 2.505 62 D HA 0.262 4.901 4.640 -0.002 0.000 0.249 62 D C 0.088 176.387 176.300 -0.003 0.000 1.082 62 D CA -0.560 53.432 54.000 -0.013 0.000 0.839 62 D CB 3.328 44.105 40.800 -0.037 0.000 1.317 62 D HN -0.133 8.218 8.370 -0.032 0.000 0.497 63 T N 2.866 117.426 114.554 0.010 0.000 3.081 63 T HA 0.061 4.648 4.350 0.034 -0.216 0.250 63 T C 0.380 175.088 174.700 0.012 0.000 1.100 63 T CA 0.778 62.891 62.100 0.021 0.000 1.038 63 T CB 0.090 68.972 68.868 0.024 0.000 0.962 63 T HN 0.269 8.514 8.240 0.009 0.000 0.516 64 N N 2.849 121.549 118.700 0.000 0.000 2.106 64 N HA -0.264 4.478 4.740 0.003 0.000 0.188 64 N C 1.491 176.997 175.510 -0.006 0.000 1.029 64 N CA 4.105 57.154 53.050 -0.003 0.000 0.848 64 N CB -0.020 38.462 38.487 -0.008 0.000 1.007 64 N HN -0.268 8.500 8.380 -0.004 -0.391 0.423 65 V N -0.945 118.956 119.914 -0.022 0.000 2.307 65 V HA -0.265 3.838 4.120 -0.028 0.000 0.245 65 V C -1.928 174.163 176.094 -0.005 0.000 1.045 65 V CA 2.442 64.721 62.300 -0.036 0.000 1.024 65 V CB 0.423 32.191 31.823 -0.092 0.000 0.651 65 V HN -0.693 7.678 8.190 -0.029 -0.198 0.449 66 A N -6.454 116.377 122.820 0.018 0.000 2.509 66 A HA 0.186 4.646 4.320 0.078 -0.094 0.282 66 A C -1.252 176.387 177.584 0.092 0.000 1.054 66 A CA -0.348 51.740 52.037 0.085 0.000 0.820 66 A CB 1.364 20.477 19.000 0.188 0.000 1.333 66 A HN -0.770 7.381 8.150 0.001 0.000 0.409 67 S N 3.898 119.642 115.700 0.074 0.000 2.607 67 S HA -0.037 4.470 4.470 0.063 0.000 0.224 67 S C -0.227 174.424 174.600 0.085 0.000 0.969 67 S CA 1.844 60.084 58.200 0.067 0.000 0.927 67 S CB 0.287 63.514 63.200 0.045 0.000 0.772 67 S HN 0.520 8.750 8.310 0.064 0.118 0.533 68 K N -1.043 119.426 120.400 0.115 0.000 2.480 68 K HA 0.756 5.309 4.320 0.093 -0.178 0.258 68 K C -2.253 174.432 176.600 0.143 0.000 0.990 68 K CA -1.397 54.956 56.287 0.110 0.000 0.857 68 K CB 5.110 37.660 32.500 0.083 0.000 1.384 68 K HN -0.055 8.223 8.250 0.132 0.052 0.446 69 A N -0.841 122.025 122.820 0.078 0.000 2.520 69 A HA 0.621 5.007 4.320 -0.119 -0.138 0.298 69 A C -2.830 174.771 177.584 0.030 0.000 1.051 69 A CA -0.986 51.028 52.037 -0.038 0.000 0.690 69 A CB 4.073 23.002 19.000 -0.117 0.000 1.281 69 A HN 0.479 8.673 8.150 0.074 0.000 0.402 70 A N 1.190 124.035 122.820 0.043 0.000 2.346 70 A HA 0.813 5.251 4.320 0.196 0.000 0.313 70 A C -1.968 175.704 177.584 0.146 0.000 1.140 70 A CA -2.666 49.477 52.037 0.178 0.000 0.826 70 A CB 3.496 22.719 19.000 0.373 0.000 1.332 70 A HN 0.712 8.706 8.150 -0.068 0.115 0.457 71 V N -2.101 117.969 119.914 0.260 0.000 3.001 71 V HA 0.714 5.102 4.120 0.155 -0.175 0.314 71 V C -1.331 174.895 176.094 0.220 0.000 1.099 71 V CA -2.214 60.222 62.300 0.226 0.000 0.989 71 V CB 4.660 36.635 31.823 0.253 0.000 1.040 71 V HN -0.341 8.049 8.190 0.333 0.000 0.434 72 A N 2.453 125.366 122.820 0.155 0.000 2.485 72 A HA 0.664 5.231 4.320 0.246 -0.099 0.292 72 A C -2.109 175.542 177.584 0.112 0.000 1.147 72 A CA -2.010 50.135 52.037 0.180 0.000 0.750 72 A CB 4.157 23.237 19.000 0.133 0.000 1.331 72 A HN 0.028 8.232 8.150 0.090 0.000 0.419 73 F N -2.907 117.069 119.950 0.044 0.000 2.603 73 F HA 0.884 5.616 4.527 0.084 -0.154 0.317 73 F C -1.813 174.010 175.800 0.039 0.000 1.066 73 F CA -0.838 57.193 58.000 0.053 0.000 0.941 73 F CB 5.299 44.325 39.000 0.044 0.000 1.291 73 F HN 0.324 8.817 8.300 0.321 0.000 0.472 74 L N -0.790 120.537 121.223 0.174 0.000 2.526 74 L HA 0.376 4.785 4.340 0.115 0.000 0.263 74 L C -2.521 174.417 176.870 0.113 0.000 0.943 74 L CA -0.607 54.297 54.840 0.106 0.000 0.859 74 L CB 4.219 46.294 42.059 0.027 0.000 1.313 74 L HN 0.449 8.761 8.230 0.138 0.000 0.406 75 G N 1.669 110.529 108.800 0.100 0.000 2.559 75 G HA2 0.335 4.338 3.960 0.072 0.000 0.291 75 G HA3 0.335 4.369 3.960 0.125 0.000 0.291 75 G C -1.360 173.580 174.900 0.067 0.000 1.424 75 G CA -0.134 45.021 45.100 0.091 0.000 0.786 75 G HN -0.081 8.261 8.290 0.086 0.000 0.485 76 T N 0.836 115.427 114.554 0.061 0.000 2.871 76 T HA -0.176 4.199 4.350 0.043 0.000 0.296 76 T C 0.003 174.735 174.700 0.053 0.000 0.998 76 T CA 0.881 63.012 62.100 0.051 0.000 1.162 76 T CB 0.793 69.691 68.868 0.051 0.000 0.947 76 T HN 0.265 8.544 8.240 0.065 0.000 0.536 77 A N 5.642 128.491 122.820 0.047 0.000 2.440 77 A HA 0.153 4.698 4.320 0.049 -0.195 0.251 77 A C 0.363 177.982 177.584 0.059 0.000 1.089 77 A CA -0.517 51.550 52.037 0.051 0.000 0.779 77 A CB 1.178 20.205 19.000 0.044 0.000 1.022 77 A HN 0.332 8.506 8.150 0.042 0.000 0.492 78 I N 1.813 122.425 120.570 0.070 0.000 2.264 78 I HA -0.334 3.871 4.170 0.059 0.000 0.248 78 I C -0.370 175.795 176.117 0.080 0.000 1.111 78 I CA 2.263 63.606 61.300 0.071 0.000 1.382 78 I CB 0.468 38.509 38.000 0.067 0.000 1.060 78 I HN 0.488 8.740 8.210 0.070 0.000 0.418 79 D N -4.878 115.586 120.400 0.106 0.000 2.713 79 D HA 0.015 4.697 4.640 0.070 0.000 0.306 79 D C -0.642 175.705 176.300 0.078 0.000 1.299 79 D CA -0.329 53.730 54.000 0.098 0.000 0.823 79 D CB 2.055 42.936 40.800 0.135 0.000 1.353 79 D HN -0.840 7.584 8.370 0.121 0.019 0.447 80 A N 0.013 122.863 122.820 0.049 0.000 1.930 80 A HA -0.032 4.297 4.320 0.014 0.000 0.217 80 A C 0.982 178.554 177.584 -0.021 0.000 1.175 80 A CA 2.298 54.345 52.037 0.016 0.000 0.627 80 A CB 0.093 19.099 19.000 0.011 0.000 0.815 80 A HN 0.412 8.595 8.150 0.054 0.000 0.443 81 G N -4.890 103.890 108.800 -0.033 0.000 2.956 81 G HA2 -0.154 3.706 3.960 -0.166 0.000 0.207 81 G HA3 -0.154 3.711 3.960 -0.159 0.000 0.207 81 G C -0.386 174.214 174.900 -0.500 0.000 1.162 81 G CA 0.375 45.364 45.100 -0.185 0.000 0.796 81 G HN -0.254 8.210 8.290 0.029 -0.157 0.527 82 H N 0.291 119.357 119.070 -0.007 0.000 2.947 82 H HA 0.316 4.828 4.556 -0.074 0.000 0.222 82 H C -0.441 174.860 175.328 -0.044 0.000 1.414 82 H CA -0.684 55.342 56.048 -0.037 0.000 1.224 82 H CB 0.497 30.259 29.762 0.000 0.000 2.100 82 H HN -0.634 7.437 8.280 -0.005 0.205 0.524 83 T N -0.789 113.758 114.554 -0.012 0.000 3.098 83 T HA -0.322 4.039 4.350 0.018 0.000 0.266 83 T C 0.772 175.463 174.700 -0.016 0.000 1.145 83 T CA 2.648 64.745 62.100 -0.005 0.000 1.092 83 T CB -0.093 68.765 68.868 -0.016 0.000 0.908 83 T HN 0.319 8.516 8.240 -0.072 0.000 0.526 84 N N -0.032 118.641 118.700 -0.046 0.000 2.463 84 N HA -0.017 4.688 4.740 -0.059 0.000 0.181 84 N C -1.211 174.243 175.510 -0.093 0.000 1.078 84 N CA 2.145 55.147 53.050 -0.081 0.000 0.902 84 N CB 0.409 38.810 38.487 -0.143 0.000 0.970 84 N HN -0.135 8.165 8.380 -0.061 0.043 0.451 85 V N -1.761 118.124 119.914 -0.048 0.000 2.656 85 V HA 0.357 4.543 4.120 -0.123 -0.140 0.307 85 V C -1.459 174.632 176.094 -0.005 0.000 1.051 85 V CA -1.453 60.809 62.300 -0.064 0.000 0.893 85 V CB 2.701 34.483 31.823 -0.068 0.000 0.999 85 V HN -0.240 7.790 8.190 0.008 0.165 0.426 86 L N 4.726 125.939 121.223 -0.017 0.000 2.453 86 L HA 0.532 5.101 4.340 0.046 -0.202 0.261 86 L C -0.250 176.653 176.870 0.055 0.000 1.179 86 L CA -1.044 53.815 54.840 0.031 0.000 0.813 86 L CB 2.209 44.290 42.059 0.037 0.000 1.110 86 L HN 0.720 8.795 8.230 -0.068 0.114 0.466 87 A N -0.414 122.446 122.820 0.067 0.000 2.370 87 A HA 0.107 4.462 4.320 0.058 0.000 0.238 87 A C -0.654 176.971 177.584 0.068 0.000 1.289 87 A CA -0.322 51.753 52.037 0.063 0.000 0.885 87 A CB -0.298 18.735 19.000 0.055 0.000 0.961 87 A HN -0.115 8.078 8.150 0.071 0.000 0.499 88 L N -6.057 115.220 121.223 0.091 0.000 7.603 88 L HA -0.363 4.160 4.340 0.144 -0.096 0.092 88 L C -1.085 175.841 176.870 0.092 0.000 1.252 88 L CA 1.082 55.985 54.840 0.105 0.000 1.482 88 L CB -0.964 41.141 42.059 0.078 0.000 2.830 88 L HN -0.410 7.781 8.230 0.099 0.098 1.159 89 Q N -2.525 117.324 119.800 0.081 0.000 2.814 89 Q HA 0.236 4.612 4.340 0.061 0.000 0.322 89 Q C -1.192 174.839 176.000 0.050 0.000 0.888 89 Q CA -0.829 55.015 55.803 0.068 0.000 0.768 89 Q CB 3.164 31.952 28.738 0.083 0.000 1.443 89 Q HN -0.168 8.148 8.270 0.077 0.000 0.497 90 S N -0.527 115.198 115.700 0.042 0.000 3.643 90 S HA -0.348 4.139 4.470 0.028 0.000 0.630 90 S C 0.153 174.768 174.600 0.024 0.000 2.469 90 S CA 0.809 59.027 58.200 0.031 0.000 3.568 90 S CB -0.373 62.845 63.200 0.031 0.000 0.271 90 S HN 0.411 8.747 8.310 0.043 0.000 1.199 91 S N 3.875 119.585 115.700 0.018 0.000 2.945 91 S HA -0.153 4.324 4.470 0.012 0.000 0.344 91 S C 0.476 175.084 174.600 0.013 0.000 1.066 91 S CA 1.140 59.348 58.200 0.013 0.000 1.721 91 S CB -0.988 62.217 63.200 0.008 0.000 1.330 91 S HN 0.368 8.688 8.310 0.018 0.000 0.623 92 A N 4.049 126.878 122.820 0.015 0.000 2.264 92 A HA -0.179 4.151 4.320 0.016 0.000 0.207 92 A C -0.656 176.933 177.584 0.009 0.000 1.196 92 A CA 2.003 54.049 52.037 0.015 0.000 0.778 92 A CB -0.290 18.720 19.000 0.018 0.000 0.779 92 A HN -0.025 8.110 8.150 0.017 0.025 0.483 93 A N -3.646 119.178 122.820 0.006 0.000 2.624 93 A HA 0.060 4.381 4.320 0.002 0.000 0.287 93 A C -0.788 176.795 177.584 -0.001 0.000 1.087 93 A CA -0.122 51.916 52.037 0.002 0.000 0.964 93 A CB 0.171 19.173 19.000 0.004 0.000 1.231 93 A HN -0.450 7.561 8.150 0.007 0.143 0.551 94 G N -1.347 107.452 108.800 -0.002 0.000 2.351 94 G HA2 0.129 4.084 3.960 -0.008 0.000 0.169 94 G HA3 0.129 4.087 3.960 -0.003 0.000 0.169 94 G C -0.639 174.255 174.900 -0.011 0.000 1.484 94 G CA 0.573 45.670 45.100 -0.006 0.000 0.715 94 G HN -0.011 8.198 8.290 -0.000 0.082 1.084 95 S N 3.421 119.116 115.700 -0.008 0.000 2.612 95 S HA -0.069 4.520 4.470 -0.022 -0.132 0.253 95 S C -0.107 174.475 174.600 -0.031 0.000 1.346 95 S CA 1.511 59.701 58.200 -0.017 0.000 0.976 95 S CB 0.686 63.884 63.200 -0.003 0.000 0.949 95 S HN -0.005 8.199 8.310 -0.002 0.105 0.584 96 A N 0.162 122.950 122.820 -0.054 0.000 2.466 96 A HA -0.076 4.370 4.320 -0.062 -0.162 0.238 96 A C 0.204 177.762 177.584 -0.044 0.000 1.074 96 A CA 0.495 52.492 52.037 -0.067 0.000 0.774 96 A CB 0.558 19.485 19.000 -0.120 0.000 1.015 96 A HN 0.262 8.278 8.150 -0.065 0.095 0.498 97 T N -1.541 112.988 114.554 -0.041 0.000 2.942 97 T HA 0.166 4.505 4.350 -0.018 0.000 0.289 97 T C -0.555 174.123 174.700 -0.036 0.000 1.044 97 T CA -1.837 60.246 62.100 -0.028 0.000 1.023 97 T CB 2.709 71.566 68.868 -0.019 0.000 1.123 97 T HN 0.290 8.501 8.240 -0.049 0.000 0.512 98 N N -3.144 115.540 118.700 -0.026 0.000 2.708 98 N HA -0.383 4.341 4.740 -0.026 0.000 0.251 98 N C -1.967 173.513 175.510 -0.050 0.000 1.123 98 N CA 1.598 54.626 53.050 -0.036 0.000 0.739 98 N CB -1.151 37.311 38.487 -0.042 0.000 1.113 98 N HN 0.445 8.817 8.380 -0.013 0.000 0.561 99 V N -3.801 116.093 119.914 -0.033 0.000 3.007 99 V HA 0.536 4.823 4.120 -0.005 -0.170 0.311 99 V C -1.826 174.294 176.094 0.043 0.000 1.120 99 V CA -2.703 59.591 62.300 -0.011 0.000 0.980 99 V CB 4.029 35.815 31.823 -0.062 0.000 1.033 99 V HN -0.642 7.494 8.190 -0.023 0.040 0.429 100 G N 2.833 111.703 108.800 0.117 0.000 2.687 100 G HA2 0.518 4.553 3.960 0.130 0.000 0.291 100 G HA3 0.518 4.638 3.960 0.091 -0.106 0.291 100 G C -3.027 171.988 174.900 0.193 0.000 1.420 100 G CA -0.803 44.378 45.100 0.135 0.000 0.796 100 G HN 0.250 8.633 8.290 0.156 0.000 0.485 101 V N -2.229 117.719 119.914 0.057 0.000 2.863 101 V HA 0.267 4.249 4.120 -0.230 0.000 0.307 101 V C -1.924 174.021 176.094 -0.247 0.000 1.061 101 V CA -2.074 60.104 62.300 -0.203 0.000 1.024 101 V CB 1.883 33.417 31.823 -0.482 0.000 1.049 101 V HN -0.420 7.791 8.190 0.035 0.000 0.471 102 Q N 2.550 122.150 119.800 -0.334 0.000 2.496 102 Q HA 0.447 4.604 4.340 -0.305 0.000 0.286 102 Q C -0.852 174.887 176.000 -0.435 0.000 1.103 102 Q CA -1.726 53.884 55.803 -0.322 0.000 0.813 102 Q CB 4.631 33.242 28.738 -0.212 0.000 1.444 102 Q HN 0.224 8.166 8.270 -0.388 0.095 0.443 103 I N -0.151 120.201 120.570 -0.363 0.000 2.533 103 I HA 0.430 4.613 4.170 -0.220 -0.145 0.290 103 I C -1.610 174.397 176.117 -0.183 0.000 1.056 103 I CA -0.679 60.415 61.300 -0.344 0.000 1.057 103 I CB 2.575 40.122 38.000 -0.754 0.000 1.240 103 I HN 0.480 8.514 8.210 -0.294 0.000 0.423 104 L N 4.919 126.100 121.223 -0.071 0.000 2.362 104 L HA 0.771 5.252 4.340 -0.047 -0.169 0.271 104 L C -0.329 176.585 176.870 0.074 0.000 1.002 104 L CA -2.131 52.692 54.840 -0.029 0.000 0.818 104 L CB 2.542 44.572 42.059 -0.047 0.000 1.298 104 L HN 0.973 9.091 8.230 -0.024 0.097 0.420 105 D N 1.273 121.710 120.400 0.062 0.000 2.352 105 D HA 0.026 4.718 4.640 0.087 0.000 0.238 105 D C 1.613 177.806 176.300 -0.177 0.000 1.286 105 D CA 0.056 54.048 54.000 -0.014 0.000 0.923 105 D CB 0.563 41.329 40.800 -0.057 0.000 1.146 105 D HN 0.319 8.691 8.370 0.002 0.000 0.471 106 R N -3.107 117.188 120.500 -0.340 0.000 2.170 106 R HA -0.329 4.011 4.340 -0.294 -0.176 0.242 106 R C 1.299 177.495 176.300 -0.172 0.000 1.145 106 R CA 2.446 58.372 56.100 -0.290 0.000 0.984 106 R CB -0.922 29.181 30.300 -0.329 0.000 0.869 106 R HN 0.498 8.469 8.270 -0.499 0.000 0.455 107 T N -5.319 109.152 114.554 -0.137 0.000 3.023 107 T HA -0.068 4.227 4.350 -0.091 0.000 0.266 107 T C 1.289 175.942 174.700 -0.077 0.000 1.093 107 T CA 0.490 62.533 62.100 -0.095 0.000 1.129 107 T CB 0.901 69.721 68.868 -0.080 0.000 0.899 107 T HN -0.290 8.095 8.240 -0.143 -0.231 0.491 108 G N 0.753 109.506 108.800 -0.079 0.000 2.163 108 G HA2 -0.337 3.586 3.960 -0.061 0.000 0.213 108 G HA3 -0.337 3.594 3.960 -0.048 0.000 0.213 108 G C -1.741 173.130 174.900 -0.049 0.000 0.991 108 G CA -0.318 44.747 45.100 -0.058 0.000 0.653 108 G HN -0.167 8.029 8.290 -0.096 0.036 0.518 109 A N 0.576 123.362 122.820 -0.056 0.000 2.328 109 A HA 0.310 4.602 4.320 -0.046 0.000 0.284 109 A C -1.186 176.362 177.584 -0.059 0.000 1.160 109 A CA -1.075 50.929 52.037 -0.055 0.000 0.818 109 A CB 1.223 20.186 19.000 -0.062 0.000 1.087 109 A HN -0.474 7.944 8.150 -0.066 -0.308 0.504 110 A N 4.873 127.652 122.820 -0.069 0.000 2.491 110 A HA 0.072 4.486 4.320 -0.096 -0.152 0.261 110 A C -0.320 177.212 177.584 -0.086 0.000 1.101 110 A CA 0.026 52.007 52.037 -0.093 0.000 0.772 110 A CB -0.186 18.736 19.000 -0.130 0.000 1.043 110 A HN 0.278 8.391 8.150 -0.062 0.000 0.501 111 L N 4.687 125.863 121.223 -0.078 0.000 2.453 111 L HA -0.003 4.308 4.340 -0.049 0.000 0.261 111 L C 0.021 176.864 176.870 -0.046 0.000 1.179 111 L CA -0.436 54.376 54.840 -0.048 0.000 0.813 111 L CB 0.923 42.979 42.059 -0.005 0.000 1.110 111 L HN 0.068 8.243 8.230 -0.091 0.000 0.466 112 T N -0.166 114.381 114.554 -0.012 0.000 2.867 112 T HA 0.098 4.431 4.350 -0.028 0.000 0.282 112 T C -0.422 174.304 174.700 0.043 0.000 1.000 112 T CA -0.337 61.761 62.100 -0.003 0.000 1.042 112 T CB 1.367 70.232 68.868 -0.005 0.000 0.973 112 T HN -0.096 8.141 8.240 -0.004 0.000 0.465 113 L N 6.304 127.551 121.223 0.041 0.000 2.423 113 L HA 0.109 4.720 4.340 0.125 -0.196 0.249 113 L C -0.525 176.382 176.870 0.061 0.000 1.276 113 L CA -0.253 54.632 54.840 0.076 0.000 1.199 113 L CB -2.042 40.057 42.059 0.067 0.000 1.407 113 L HN -0.009 8.231 8.230 0.016 0.000 0.410 114 D N 0.668 121.107 120.400 0.065 0.000 2.474 114 D HA 0.134 4.798 4.640 0.040 0.000 0.213 114 D C 0.474 176.803 176.300 0.048 0.000 1.120 114 D CA -0.043 53.987 54.000 0.050 0.000 0.836 114 D CB 3.071 43.899 40.800 0.046 0.000 1.019 114 D HN -0.210 8.149 8.370 0.080 0.059 0.507 115 G N -1.344 107.493 108.800 0.061 0.000 2.212 115 G HA2 -0.341 3.706 3.960 0.029 0.000 0.266 115 G HA3 -0.341 3.626 3.960 0.012 0.000 0.266 115 G C -1.197 173.730 174.900 0.045 0.000 0.978 115 G CA 1.369 46.490 45.100 0.036 0.000 0.632 115 G HN 0.200 8.542 8.290 0.088 0.000 0.537 116 A N -2.408 120.453 122.820 0.070 0.000 2.498 116 A HA 0.094 4.466 4.320 0.087 0.000 0.238 116 A C -0.589 177.085 177.584 0.150 0.000 1.225 116 A CA -0.358 51.733 52.037 0.090 0.000 0.978 116 A CB 1.088 20.125 19.000 0.063 0.000 1.142 116 A HN -0.112 7.966 8.150 0.068 0.113 0.552 117 T N 4.955 119.591 114.554 0.138 0.000 2.933 117 T HA -0.077 4.389 4.350 0.193 0.000 0.263 117 T C -0.525 174.275 174.700 0.167 0.000 0.925 117 T CA 1.112 63.300 62.100 0.147 0.000 1.156 117 T CB -1.536 67.378 68.868 0.077 0.000 0.916 117 T HN -0.227 8.077 8.240 0.108 0.000 0.601 118 F N 7.486 127.474 119.950 0.063 0.000 2.535 118 F HA 0.106 4.862 4.527 0.091 -0.174 0.332 118 F C -1.142 174.716 175.800 0.097 0.000 1.208 118 F CA -0.722 57.325 58.000 0.077 0.000 1.330 118 F CB 0.744 39.775 39.000 0.051 0.000 1.167 118 F HN -0.452 8.215 8.300 0.611 0.000 0.597 119 S N -0.473 115.092 115.700 -0.226 0.000 2.811 119 S HA 0.064 4.258 4.470 -0.460 0.000 0.311 119 S C -0.761 173.758 174.600 -0.136 0.000 1.152 119 S CA -1.458 56.600 58.200 -0.236 0.000 0.864 119 S CB 2.578 65.855 63.200 0.128 0.000 1.226 119 S HN -0.371 8.024 8.310 0.143 0.000 0.541 120 S N 1.125 116.768 115.700 -0.096 0.000 3.480 120 S HA -0.231 4.199 4.470 -0.067 0.000 0.411 120 S C -0.205 174.405 174.600 0.018 0.000 1.164 120 S CA 1.377 59.538 58.200 -0.064 0.000 1.084 120 S CB 0.287 63.408 63.200 -0.131 0.000 0.759 120 S HN 0.394 8.636 8.310 -0.113 0.000 0.515 121 E N 8.416 128.665 120.200 0.082 0.000 2.159 121 E HA -0.087 4.526 4.350 0.135 -0.182 0.272 121 E C 0.228 176.852 176.600 0.040 0.000 1.138 121 E CA 0.371 56.836 56.400 0.109 0.000 0.915 121 E CB 0.305 30.093 29.700 0.147 0.000 1.028 121 E HN 0.141 8.553 8.360 0.087 0.000 0.423 122 T N 10.034 124.602 114.554 0.023 0.000 2.727 122 T HA 0.047 4.388 4.350 -0.016 0.000 0.295 122 T C -0.327 174.393 174.700 0.033 0.000 0.915 122 T CA 0.400 62.502 62.100 0.003 0.000 1.066 122 T CB 0.292 69.148 68.868 -0.018 0.000 0.891 122 T HN 0.722 8.989 8.240 0.046 0.000 0.516 123 T N 8.913 123.484 114.554 0.028 0.000 2.831 123 T HA -0.210 4.330 4.350 0.050 -0.159 0.291 123 T C 0.123 174.847 174.700 0.040 0.000 0.981 123 T CA 2.067 64.190 62.100 0.037 0.000 1.174 123 T CB -0.221 68.663 68.868 0.026 0.000 0.929 123 T HN 0.299 8.547 8.240 0.014 0.000 0.532 124 L N 4.922 126.182 121.223 0.062 0.000 2.540 124 L HA 0.051 4.592 4.340 0.064 -0.163 0.215 124 L C -0.785 176.115 176.870 0.050 0.000 1.204 124 L CA -0.252 54.630 54.840 0.070 0.000 0.841 124 L CB 1.408 43.534 42.059 0.111 0.000 1.420 124 L HN 0.681 8.824 8.230 0.071 0.130 0.519 125 N N -2.865 115.865 118.700 0.050 0.000 2.708 125 N HA -0.013 4.747 4.740 0.033 0.000 0.257 125 N C -2.077 173.455 175.510 0.038 0.000 1.373 125 N CA -1.701 51.371 53.050 0.037 0.000 0.843 125 N CB 2.640 41.144 38.487 0.028 0.000 1.503 125 N HN -0.063 8.358 8.380 0.062 -0.003 0.504 126 N N -0.242 118.475 118.700 0.028 0.000 2.454 126 N HA -0.169 4.775 4.740 0.024 -0.189 0.254 126 N C 0.898 176.423 175.510 0.025 0.000 1.228 126 N CA 1.458 54.522 53.050 0.023 0.000 0.900 126 N CB 0.101 38.598 38.487 0.016 0.000 1.089 126 N HN -0.002 8.393 8.380 0.024 0.000 0.449 127 G N 4.497 113.312 108.800 0.026 0.000 3.035 127 G HA2 -0.340 3.634 3.960 0.024 0.000 0.242 127 G HA3 -0.340 3.634 3.960 0.024 0.000 0.242 127 G C -1.643 173.278 174.900 0.036 0.000 1.524 127 G CA 0.263 45.379 45.100 0.027 0.000 1.038 127 G HN 0.646 8.950 8.290 0.025 0.000 0.561 128 T N 6.322 120.898 114.554 0.036 0.000 2.861 128 T HA 0.673 5.219 4.350 0.052 -0.165 0.287 128 T C -1.249 173.478 174.700 0.045 0.000 1.003 128 T CA -1.159 60.967 62.100 0.044 0.000 0.977 128 T CB 2.456 71.346 68.868 0.037 0.000 0.996 128 T HN -0.010 8.249 8.240 0.031 0.000 0.448 129 N N 4.726 123.460 118.700 0.057 0.000 2.329 129 N HA 0.347 5.109 4.740 0.036 0.000 0.282 129 N C -2.267 173.275 175.510 0.054 0.000 1.198 129 N CA -0.430 52.651 53.050 0.052 0.000 0.790 129 N CB 5.200 43.727 38.487 0.067 0.000 1.579 129 N HN 0.585 9.006 8.380 0.069 0.000 0.475 130 T N 2.068 116.641 114.554 0.032 0.000 2.881 130 T HA 0.710 5.327 4.350 0.055 -0.234 0.291 130 T C -0.820 173.870 174.700 -0.017 0.000 0.990 130 T CA -0.837 61.279 62.100 0.026 0.000 0.976 130 T CB 2.133 71.012 68.868 0.018 0.000 0.970 130 T HN 0.169 8.418 8.240 0.016 0.000 0.438 131 I N 7.282 127.844 120.570 -0.012 0.000 2.337 131 I HA 0.385 4.447 4.170 -0.181 0.000 0.291 131 I C -1.810 174.155 176.117 -0.254 0.000 1.046 131 I CA -2.414 58.801 61.300 -0.141 0.000 1.324 131 I CB 0.369 38.337 38.000 -0.054 0.000 1.409 131 I HN 0.039 8.282 8.210 0.054 0.000 0.494 132 P HA 0.136 4.535 4.420 -0.271 -0.141 0.276 132 P C -1.455 175.297 177.300 -0.914 0.000 1.244 132 P CA -0.598 62.248 63.100 -0.424 0.000 0.801 132 P CB 0.972 32.499 31.700 -0.289 0.000 1.006 133 F N -2.378 117.231 119.950 -0.569 0.000 2.675 133 F HA 0.234 4.490 4.527 -0.452 0.000 0.324 133 F C -1.019 174.398 175.800 -0.638 0.000 1.106 133 F CA -0.873 56.686 58.000 -0.735 0.000 0.970 133 F CB 4.615 42.774 39.000 -1.402 0.000 1.385 133 F HN 0.589 8.572 8.300 -0.530 0.000 0.489 134 Q N -2.117 117.541 119.800 -0.237 0.000 2.399 134 Q HA 0.697 5.138 4.340 -0.074 -0.145 0.276 134 Q C -1.530 174.508 176.000 0.063 0.000 1.098 134 Q CA -1.145 54.602 55.803 -0.094 0.000 0.827 134 Q CB 4.748 33.446 28.738 -0.067 0.000 1.386 134 Q HN 0.501 8.699 8.270 -0.120 0.000 0.443 135 A N -0.273 122.630 122.820 0.139 0.000 2.475 135 A HA 0.815 5.217 4.320 -0.081 -0.130 0.301 135 A C -2.751 174.768 177.584 -0.109 0.000 1.059 135 A CA -1.411 50.632 52.037 0.010 0.000 0.710 135 A CB 3.831 22.855 19.000 0.041 0.000 1.288 135 A HN 1.091 9.310 8.150 0.115 0.000 0.408 136 R N -1.285 119.085 120.500 -0.215 0.000 2.664 136 R HA 0.425 4.598 4.340 -0.279 0.000 0.266 136 R C -1.891 174.284 176.300 -0.209 0.000 1.046 136 R CA -0.932 55.052 56.100 -0.194 0.000 0.885 136 R CB 2.765 33.042 30.300 -0.039 0.000 1.254 136 R HN -0.138 7.959 8.270 -0.288 0.000 0.465 137 Y N -0.126 120.157 120.300 -0.030 0.000 2.442 137 Y HA 0.123 4.815 4.550 -0.038 -0.164 0.330 137 Y C -0.689 175.241 175.900 0.050 0.000 1.129 137 Y CA 1.032 59.124 58.100 -0.014 0.000 1.365 137 Y CB 0.368 38.815 38.460 -0.022 0.000 1.233 137 Y HN -0.017 8.235 8.280 -0.046 0.000 0.529 138 F N 4.882 124.861 119.950 0.048 0.000 2.426 138 F HA 0.570 5.238 4.527 -0.013 -0.149 0.348 138 F C -1.755 174.017 175.800 -0.048 0.000 1.124 138 F CA -2.437 55.551 58.000 -0.020 0.000 1.008 138 F CB 3.539 42.503 39.000 -0.060 0.000 1.139 138 F HN 0.862 9.236 8.300 0.312 0.113 0.452 139 A N 7.921 130.508 122.820 -0.388 0.000 2.327 139 A HA 0.604 4.994 4.320 -0.149 -0.160 0.283 139 A C -0.182 177.109 177.584 -0.488 0.000 1.127 139 A CA -1.446 50.396 52.037 -0.325 0.000 0.810 139 A CB 2.077 20.911 19.000 -0.276 0.000 1.066 139 A HN 1.058 8.830 8.150 -0.630 0.000 0.492 140 T N -2.183 112.233 114.554 -0.230 0.000 3.134 140 T HA 0.088 4.325 4.350 -0.188 0.000 0.260 140 T C -0.131 174.514 174.700 -0.092 0.000 1.027 140 T CA -0.946 61.042 62.100 -0.188 0.000 0.913 140 T CB 0.829 69.512 68.868 -0.308 0.000 1.046 140 T HN 0.576 8.615 8.240 -0.149 0.112 0.553 141 G N -0.117 108.614 108.800 -0.116 0.000 2.399 141 G HA2 -0.126 3.853 3.960 -0.068 0.000 0.256 141 G HA3 -0.126 3.809 3.960 -0.042 0.000 0.256 141 G C -2.467 172.384 174.900 -0.082 0.000 1.236 141 G CA 0.237 45.294 45.100 -0.073 0.000 0.914 141 G HN -1.006 7.123 8.290 -0.161 0.065 0.482 142 A N 1.302 124.088 122.820 -0.056 0.000 2.618 142 A HA -0.093 4.233 4.320 -0.060 -0.041 0.293 142 A C -0.233 177.317 177.584 -0.056 0.000 1.413 142 A CA 0.375 52.380 52.037 -0.053 0.000 1.074 142 A CB -1.195 17.782 19.000 -0.037 0.000 1.087 142 A HN 0.146 8.271 8.150 -0.042 0.000 0.553 143 A N 4.419 127.196 122.820 -0.071 0.000 2.310 143 A HA 0.439 4.885 4.320 -0.068 -0.167 0.260 143 A C 0.011 177.557 177.584 -0.063 0.000 1.112 143 A CA -0.238 51.756 52.037 -0.073 0.000 0.804 143 A CB 1.174 20.119 19.000 -0.091 0.000 1.081 143 A HN -0.436 7.570 8.150 -0.081 0.095 0.499 144 T N -2.781 111.733 114.554 -0.066 0.000 2.896 144 T HA 0.487 4.805 4.350 -0.053 0.000 0.297 144 T C -2.433 172.224 174.700 -0.072 0.000 1.108 144 T CA -3.241 58.824 62.100 -0.058 0.000 1.004 144 T CB 1.346 70.187 68.868 -0.045 0.000 1.159 144 T HN -0.307 7.889 8.240 -0.074 0.000 0.499 145 P HA -0.126 4.239 4.420 -0.090 0.001 0.279 145 P C -1.276 175.986 177.300 -0.064 0.000 1.282 145 P CA -0.613 62.445 63.100 -0.069 0.000 0.788 145 P CB 0.730 32.399 31.700 -0.052 0.000 1.139 146 G N -2.239 106.523 108.800 -0.064 0.000 1.775 146 G HA2 -0.161 3.777 3.960 -0.036 0.000 0.059 146 G HA3 -0.161 3.773 3.960 -0.044 0.000 0.059 146 G C -2.531 172.341 174.900 -0.048 0.000 1.152 146 G CA 0.569 45.641 45.100 -0.048 0.000 1.107 146 G HN 0.476 8.725 8.290 -0.069 0.000 0.323 147 A N 1.329 124.118 122.820 -0.052 0.000 2.556 147 A HA 0.168 4.463 4.320 -0.042 0.000 0.294 147 A C -2.912 174.632 177.584 -0.067 0.000 1.091 147 A CA -0.953 51.058 52.037 -0.042 0.000 0.704 147 A CB 2.663 21.657 19.000 -0.011 0.000 1.300 147 A HN -0.265 7.854 8.150 -0.056 -0.002 0.406 148 A N -1.106 121.683 122.820 -0.051 0.000 3.409 148 A HA 0.426 4.720 4.320 -0.044 0.000 0.282 148 A C -2.465 175.216 177.584 0.162 0.000 1.064 148 A CA -0.022 51.978 52.037 -0.062 0.000 0.889 148 A CB 0.730 19.432 19.000 -0.496 0.000 1.251 148 A HN 0.110 8.255 8.150 -0.008 0.000 0.538 149 N N 0.573 119.361 118.700 0.146 0.000 2.430 149 N HA 0.948 6.003 4.740 0.239 -0.172 0.298 149 N C -1.782 173.848 175.510 0.199 0.000 1.130 149 N CA -1.053 52.108 53.050 0.186 0.000 0.894 149 N CB 3.761 42.321 38.487 0.121 0.000 1.209 149 N HN -0.331 8.108 8.380 0.098 0.000 0.503 150 A N -0.654 122.311 122.820 0.242 0.000 2.609 150 A HA 0.344 4.766 4.320 0.171 0.000 0.291 150 A C -2.977 174.740 177.584 0.220 0.000 1.096 150 A CA -1.066 51.111 52.037 0.232 0.000 0.684 150 A CB 3.358 22.522 19.000 0.274 0.000 1.282 150 A HN 1.019 9.228 8.150 0.267 0.102 0.412 151 D N -1.896 118.598 120.400 0.156 0.000 2.358 151 D HA 0.343 5.150 4.640 -0.048 -0.196 0.253 151 D C -1.406 174.917 176.300 0.037 0.000 1.288 151 D CA -1.082 52.941 54.000 0.038 0.000 0.950 151 D CB 1.394 42.211 40.800 0.028 0.000 1.197 151 D HN 0.229 8.687 8.370 0.148 0.000 0.550 152 A N 3.593 126.457 122.820 0.073 0.000 2.296 152 A HA 0.556 5.069 4.320 0.116 -0.124 0.264 152 A C -0.393 177.143 177.584 -0.081 0.000 1.097 152 A CA -0.759 51.344 52.037 0.111 0.000 0.811 152 A CB 1.617 20.878 19.000 0.436 0.000 1.072 152 A HN 0.483 8.609 8.150 -0.041 0.000 0.495 153 T N -3.893 110.605 114.554 -0.092 0.000 2.952 153 T HA 0.893 5.223 4.350 -0.230 -0.118 0.286 153 T C -0.806 173.701 174.700 -0.320 0.000 1.024 153 T CA -2.312 59.663 62.100 -0.207 0.000 1.029 153 T CB 2.357 71.096 68.868 -0.214 0.000 1.094 153 T HN 0.126 8.351 8.240 -0.026 0.000 0.515 154 F N -2.384 117.185 119.950 -0.635 0.000 2.579 154 F HA 0.919 4.977 4.527 -0.999 -0.131 0.324 154 F C -2.437 173.100 175.800 -0.438 0.000 1.058 154 F CA -2.807 54.668 58.000 -0.874 0.000 0.944 154 F CB 3.300 41.504 39.000 -1.327 0.000 1.245 154 F HN 0.619 8.634 8.300 -0.475 0.000 0.477 155 K N -1.727 118.506 120.400 -0.278 0.000 2.306 155 K HA 0.315 4.437 4.320 -0.354 -0.015 0.236 155 K C -1.229 175.330 176.600 -0.068 0.000 1.013 155 K CA -1.751 54.402 56.287 -0.223 0.000 0.857 155 K CB 3.816 36.250 32.500 -0.110 0.000 1.214 155 K HN 0.648 8.698 8.250 -0.163 0.102 0.449 156 V N 0.430 120.288 119.914 -0.093 0.000 2.380 156 V HA 0.300 4.537 4.120 -0.074 -0.161 0.286 156 V C -1.668 174.324 176.094 -0.170 0.000 1.015 156 V CA -1.699 60.514 62.300 -0.144 0.000 0.834 156 V CB 0.949 32.640 31.823 -0.219 0.000 1.009 156 V HN 0.675 8.688 8.190 -0.109 0.112 0.428 157 Q N 8.067 127.800 119.800 -0.111 0.000 2.472 157 Q HA 0.268 4.826 4.340 -0.003 -0.220 0.227 157 Q C -0.336 175.578 176.000 -0.144 0.000 1.156 157 Q CA -1.711 54.061 55.803 -0.051 0.000 0.924 157 Q CB 0.188 28.948 28.738 0.037 0.000 1.354 157 Q HN 0.266 8.393 8.270 -0.060 0.107 0.525 158 Y N 6.559 126.893 120.300 0.056 0.000 2.550 158 Y HA -0.133 4.595 4.550 0.064 -0.139 0.343 158 Y C -0.227 175.687 175.900 0.022 0.000 1.245 158 Y CA 1.804 59.931 58.100 0.046 0.000 1.462 158 Y CB 0.501 38.980 38.460 0.032 0.000 1.340 158 Y HN 0.513 8.849 8.280 0.094 0.000 0.604 159 Q N -3.376 116.528 119.800 0.175 0.000 2.738 159 Q HA 0.686 5.254 4.340 0.086 -0.176 0.301 159 Q C -0.648 175.404 176.000 0.086 0.000 0.901 159 Q CA -1.424 54.433 55.803 0.090 0.000 0.756 159 Q CB 4.086 32.835 28.738 0.018 0.000 1.463 159 Q HN 0.230 8.635 8.270 0.225 0.000 0.432 160 G N -1.824 107.005 108.800 0.049 0.000 2.467 160 G HA2 -0.320 3.657 3.960 0.027 0.000 0.242 160 G HA3 -0.320 3.671 3.960 0.050 0.000 0.242 160 G C -0.738 174.184 174.900 0.036 0.000 1.127 160 G CA 0.036 45.160 45.100 0.041 0.000 0.924 160 G HN 0.310 8.619 8.290 0.032 0.000 0.499 161 G N -1.565 107.250 108.800 0.026 0.000 3.159 161 G HA2 0.238 4.387 3.960 0.016 0.000 0.232 161 G HA3 0.238 4.263 3.960 0.014 -0.056 0.232 161 G C -0.969 173.936 174.900 0.009 0.000 1.116 161 G CA -0.683 44.427 45.100 0.016 0.000 0.767 161 G HN -0.197 8.107 8.290 0.023 0.000 0.547 162 G N -0.893 107.912 108.800 0.009 0.000 2.347 162 G HA2 -0.139 3.825 3.960 0.006 0.000 0.477 162 G HA3 -0.139 3.823 3.960 0.004 0.000 0.477 162 G C 0.341 175.242 174.900 0.002 0.000 1.349 162 G CA -1.012 44.091 45.100 0.005 0.000 1.000 162 G HN -0.854 7.443 8.290 0.011 0.000 0.605 163 G N -0.793 108.007 108.800 0.001 0.000 3.078 163 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.227 163 G HA3 -0.366 3.593 3.960 -0.002 0.000 0.227 163 G C -0.054 174.845 174.900 -0.002 0.000 1.306 163 G CA 0.575 45.674 45.100 -0.001 0.000 0.841 163 G HN 0.361 8.652 8.290 0.002 0.000 0.530 164 G N 0.920 109.718 108.800 -0.002 0.000 3.465 164 G HA2 -0.097 3.863 3.960 0.000 0.000 0.219 164 G HA3 -0.097 3.861 3.960 -0.004 0.000 0.219 164 G C -0.514 174.381 174.900 -0.008 0.000 0.984 164 G CA 0.043 45.141 45.100 -0.003 0.000 0.864 164 G HN -0.084 8.122 8.290 -0.002 0.083 0.485 165 G N 0.483 109.275 108.800 -0.015 0.000 2.446 165 G HA2 0.223 4.163 3.960 -0.033 0.000 0.200 165 G HA3 0.223 4.160 3.960 -0.039 0.000 0.200 165 G C -1.929 172.958 174.900 -0.022 0.000 1.707 165 G CA 0.242 45.325 45.100 -0.029 0.000 0.697 165 G HN -0.038 8.245 8.290 -0.012 0.000 0.675 166 A N 0.144 122.951 122.820 -0.020 0.000 1.581 166 A HA -0.263 4.050 4.320 -0.012 0.000 0.205 166 A C -1.831 175.753 177.584 -0.000 0.000 1.265 166 A CA 0.296 52.328 52.037 -0.009 0.000 0.666 166 A CB -0.295 18.705 19.000 0.001 0.000 1.155 166 A HN -0.034 8.101 8.150 -0.025 0.000 0.200 167 A N 3.365 126.181 122.820 -0.007 0.000 2.454 167 A HA 0.904 5.405 4.320 0.035 -0.160 0.302 167 A C -0.557 177.043 177.584 0.027 0.000 1.079 167 A CA -0.769 51.270 52.037 0.004 0.000 0.731 167 A CB 3.524 22.491 19.000 -0.056 0.000 1.299 167 A HN -0.028 8.113 8.150 -0.015 0.000 0.413 168 T N 3.550 118.147 114.554 0.072 0.000 3.066 168 T HA 0.240 4.620 4.350 0.051 0.000 0.318 168 T C -1.253 173.513 174.700 0.111 0.000 0.979 168 T CA 0.284 62.438 62.100 0.090 0.000 1.025 168 T CB 1.753 70.689 68.868 0.114 0.000 1.002 168 T HN 0.600 8.797 8.240 0.101 0.103 0.453 169 T N 10.559 125.147 114.554 0.057 0.000 3.005 169 T HA 0.260 4.833 4.350 0.040 -0.200 0.323 169 T C -0.171 174.548 174.700 0.031 0.000 1.131 169 T CA -0.344 61.779 62.100 0.039 0.000 0.977 169 T CB -0.035 68.844 68.868 0.019 0.000 1.055 169 T HN 0.293 8.555 8.240 0.036 0.000 0.562 170 V N 2.257 122.204 119.914 0.056 0.000 3.170 170 V HA 0.163 4.284 4.120 0.002 0.000 0.309 170 V C -0.735 175.323 176.094 -0.061 0.000 1.071 170 V CA -3.139 59.173 62.300 0.020 0.000 1.063 170 V CB 0.639 32.511 31.823 0.081 0.000 1.123 170 V HN 0.374 8.620 8.190 0.095 0.000 0.464 171 N N 0.230 118.863 118.700 -0.111 0.000 2.260 171 N HA -0.311 4.284 4.740 -0.241 0.000 0.230 171 N C -0.133 175.174 175.510 -0.338 0.000 1.323 171 N CA 1.860 54.776 53.050 -0.223 0.000 0.897 171 N CB 0.793 39.155 38.487 -0.208 0.000 1.146 171 N HN 0.490 8.819 8.380 -0.085 0.000 0.460 172 G N -3.617 104.783 108.800 -0.667 0.000 2.408 172 G HA2 0.272 3.881 3.960 -0.584 0.000 0.190 172 G HA3 0.272 3.215 3.960 -1.741 -0.028 0.190 172 G C -2.011 172.023 174.900 -1.443 0.000 1.377 172 G CA 0.157 44.573 45.100 -1.139 0.000 0.690 172 G HN 0.069 7.939 8.290 -0.699 0.000 1.014 173 G N -0.686 107.366 108.800 -1.246 0.000 2.369 173 G HA2 -0.071 3.673 3.960 -0.359 0.000 0.293 173 G HA3 -0.071 3.849 3.960 -0.338 -0.162 0.293 173 G C -2.718 171.972 174.900 -0.351 0.000 1.301 173 G CA 0.248 44.998 45.100 -0.583 0.000 0.913 173 G HN -0.725 6.909 8.290 -1.093 0.000 0.540 174 T N 1.758 116.202 114.554 -0.183 0.000 2.867 174 T HA 0.435 4.710 4.350 -0.321 -0.118 0.282 174 T C -0.988 173.500 174.700 -0.353 0.000 1.000 174 T CA -0.052 61.846 62.100 -0.336 0.000 1.042 174 T CB 1.432 69.976 68.868 -0.539 0.000 0.973 174 T HN 0.189 8.370 8.240 -0.098 0.000 0.465 175 V N 5.201 124.829 119.914 -0.477 0.000 2.305 175 V HA 0.396 4.368 4.120 -0.537 -0.173 0.275 175 V C -1.025 174.575 176.094 -0.824 0.000 1.020 175 V CA -0.952 60.945 62.300 -0.672 0.000 0.811 175 V CB 0.355 31.747 31.823 -0.718 0.000 1.031 175 V HN 0.993 8.815 8.190 -0.422 0.115 0.439 176 H N 7.742 126.532 119.070 -0.467 0.000 3.118 176 H HA 0.276 4.858 4.556 -0.197 -0.144 0.266 176 H C -0.566 174.577 175.328 -0.309 0.000 1.465 176 H CA -1.439 54.439 56.048 -0.283 0.000 1.460 176 H CB -1.372 28.307 29.762 -0.138 0.000 1.661 176 H HN 0.497 8.620 8.280 -0.261 0.000 0.516 177 F N 5.658 125.623 119.950 0.026 0.000 2.519 177 F HA 0.050 4.702 4.527 -0.079 -0.172 0.375 177 F C -0.419 175.419 175.800 0.064 0.000 1.084 177 F CA 0.705 58.688 58.000 -0.027 0.000 1.147 177 F CB -0.945 38.001 39.000 -0.091 0.000 1.088 177 F HN -0.206 8.021 8.300 -0.122 0.000 0.555 178 K N 2.597 123.132 120.400 0.225 0.000 2.350 178 K HA 0.676 5.247 4.320 0.205 -0.128 0.241 178 K C -0.380 176.367 176.600 0.244 0.000 0.994 178 K CA -2.241 54.162 56.287 0.194 0.000 0.839 178 K CB 4.348 36.911 32.500 0.105 0.000 1.244 178 K HN 0.503 8.763 8.250 0.192 0.105 0.443 179 G N -1.351 107.580 108.800 0.218 0.000 2.346 179 G HA2 -0.116 3.935 3.960 0.153 0.000 0.294 179 G HA3 -0.116 4.137 3.960 0.378 -0.066 0.294 179 G C -3.397 171.573 174.900 0.116 0.000 1.294 179 G CA 0.238 45.475 45.100 0.229 0.000 0.962 179 G HN -0.368 8.186 8.290 0.164 -0.166 0.508 180 E N -2.948 117.249 120.200 -0.004 0.000 2.439 180 E HA 0.290 4.565 4.350 -0.145 -0.012 0.279 180 E C -2.485 173.998 176.600 -0.196 0.000 1.077 180 E CA -1.162 55.174 56.400 -0.108 0.000 0.849 180 E CB 4.489 34.168 29.700 -0.034 0.000 1.408 180 E HN -0.038 8.344 8.360 0.036 0.000 0.457 181 V N -0.043 119.760 119.914 -0.185 0.000 2.540 181 V HA 0.563 4.759 4.120 -0.149 -0.165 0.302 181 V C -1.414 174.625 176.094 -0.093 0.000 1.035 181 V CA -0.929 61.273 62.300 -0.163 0.000 0.873 181 V CB 2.621 34.317 31.823 -0.212 0.000 0.992 181 V HN 0.223 8.327 8.190 -0.143 0.000 0.428 182 V N 2.853 122.728 119.914 -0.066 0.000 2.667 182 V HA 0.494 4.588 4.120 -0.042 0.000 0.308 182 V C -0.463 175.606 176.094 -0.042 0.000 1.048 182 V CA -2.417 59.856 62.300 -0.044 0.000 0.928 182 V CB 2.351 34.157 31.823 -0.029 0.000 1.004 182 V HN 0.926 9.077 8.190 -0.066 0.000 0.444 183 N N 5.677 124.356 118.700 -0.035 0.000 2.530 183 N HA -0.204 4.513 4.740 -0.038 0.000 0.216 183 N C -0.707 174.787 175.510 -0.027 0.000 1.315 183 N CA -0.326 52.705 53.050 -0.032 0.000 0.858 183 N CB -0.739 37.731 38.487 -0.028 0.000 1.138 183 N HN 0.524 8.885 8.380 -0.031 0.000 0.473 184 A N 0.000 122.805 122.820 -0.025 0.000 2.254 184 A HA 0.000 4.310 4.320 -0.017 0.000 0.244 184 A CA 0.000 52.025 52.037 -0.019 0.000 0.836 184 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 184 A HN 0.000 7.989 8.150 -0.029 0.144 0.486