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 2i0s_1_A DATA FIRST_RESID 74 DATA SEQUENCE EVLTGGHSVS APQENRIYVM DSVFMHLTES RVHVYDYTNG KFLGMVPTAF DATA SEQUENCE NGHVQVSNDG KKIYTMTTYH ERITRGKRSD VVEVWDADKL TFEKEISLPP DATA SEQUENCE KRVQGLNYDG LFRQTTDGKF IVLQNASPAT SIGIVDVAKG DYVEDVTAAA DATA SEQUENCE GcWSVIPQPN RPRSFMTIcG DGGLLTINLG EDGKVASQSR SKQMFSVKDD DATA SEQUENCE PIFIAPALDK DKAHFVSYYG NVYSADFSGD EVKVDGPWSL LNDEDKAKNW DATA SEQUENCE VPGGYNLVGL HRASGRMYVF MHPDGKEGTH KFPAAEIWVM DTKTKQRVAR DATA SEQUENCE IPGRDALSMT IDQQRNLMLT LDGGNVNVYD ISQPEPKLLR TIEGAAEASL DATA SEQUENCE QVQFHPVGGT 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 74 E HA 0.000 4.350 4.350 0.000 0.000 0.291 74 E C 0.000 176.608 176.600 0.014 0.000 1.382 74 E CA 0.000 56.406 56.400 0.010 0.000 0.976 74 E CB 0.000 29.704 29.700 0.007 0.000 0.812 75 V N 1.861 121.787 119.914 0.020 0.000 2.686 75 V HA 0.320 4.442 4.120 0.004 0.000 0.306 75 V C -0.895 175.221 176.094 0.037 0.000 1.065 75 V CA -0.832 61.483 62.300 0.026 0.000 0.894 75 V CB 1.714 33.553 31.823 0.027 0.000 1.004 75 V HN 0.569 8.759 8.190 0.000 0.000 0.424 76 L N 5.524 126.769 121.223 0.037 0.000 2.360 76 L HA 0.648 4.990 4.340 0.004 0.000 0.276 76 L C 0.507 177.421 176.870 0.073 0.000 1.121 76 L CA 0.950 55.820 54.840 0.051 0.000 0.845 76 L CB 1.018 43.101 42.059 0.041 0.000 1.143 76 L HN 0.959 9.189 8.230 0.000 0.000 0.452 77 T N 1.909 116.540 114.554 0.128 0.000 2.908 77 T HA 0.908 5.260 4.350 0.004 0.000 0.290 77 T C 0.070 174.897 174.700 0.211 0.000 1.034 77 T CA -0.276 61.919 62.100 0.159 0.000 1.010 77 T CB 1.625 70.622 68.868 0.215 0.000 1.068 77 T HN 0.785 9.025 8.240 0.000 0.000 0.481 78 G N -1.203 107.639 108.800 0.071 0.000 2.938 78 G HA2 0.609 4.571 3.960 0.004 0.000 0.258 78 G HA3 0.609 4.571 3.960 0.004 0.000 0.258 78 G C 0.775 175.550 174.900 -0.208 0.000 1.356 78 G CA -0.587 44.540 45.100 0.045 0.000 1.052 78 G HN 1.935 10.225 8.290 0.000 0.000 0.550 79 G N -1.636 107.089 108.800 -0.126 0.000 2.141 79 G HA2 -0.218 3.744 3.960 0.004 0.000 0.242 79 G HA3 -0.218 3.744 3.960 0.004 0.000 0.242 79 G C 0.343 175.110 174.900 -0.222 0.000 0.982 79 G CA 0.448 45.443 45.100 -0.175 0.000 0.662 79 G HN 0.802 9.092 8.290 0.000 0.000 0.527 80 H N 0.498 119.588 119.070 0.034 0.000 2.551 80 H HA 0.566 5.123 4.556 0.001 0.000 0.358 80 H C 0.428 175.776 175.328 0.034 0.000 1.151 80 H CA 0.543 56.608 56.048 0.028 0.000 1.374 80 H CB 1.410 31.186 29.762 0.024 0.000 1.473 80 H HN 0.215 8.495 8.280 0.000 0.000 0.574 81 S N 0.535 116.327 115.700 0.154 0.000 2.672 81 S HA 0.182 4.655 4.470 0.004 0.000 0.276 81 S C 0.241 174.889 174.600 0.079 0.000 1.207 81 S CA -0.893 57.366 58.200 0.098 0.000 1.002 81 S CB 1.522 64.763 63.200 0.068 0.000 0.998 81 S HN 0.293 8.603 8.310 0.000 0.000 0.542 82 V N 2.966 122.911 119.914 0.052 0.000 2.694 82 V HA -0.018 4.104 4.120 0.004 0.000 0.306 82 V C 1.578 177.671 176.094 -0.002 0.000 1.054 82 V CA 0.702 63.010 62.300 0.013 0.000 1.161 82 V CB 0.942 32.768 31.823 0.006 0.000 0.916 82 V HN 1.123 9.313 8.190 0.000 0.000 0.490 83 S N 2.946 118.632 115.700 -0.023 0.000 2.522 83 S HA 0.250 4.722 4.470 0.004 0.000 0.227 83 S C 0.650 175.229 174.600 -0.036 0.000 0.986 83 S CA 0.339 58.523 58.200 -0.027 0.000 0.929 83 S CB 0.077 63.255 63.200 -0.037 0.000 0.769 83 S HN 1.076 9.386 8.310 0.000 0.000 0.529 84 A N 2.328 125.119 122.820 -0.048 0.000 2.356 84 A HA 0.801 5.123 4.320 0.004 0.000 0.323 84 A C -2.788 174.762 177.584 -0.057 0.000 1.119 84 A CA -2.308 49.695 52.037 -0.057 0.000 0.790 84 A CB 0.776 19.730 19.000 -0.075 0.000 1.273 84 A HN 0.270 8.420 8.150 0.000 0.000 0.452 85 P HA 0.100 4.520 4.420 0.000 0.000 0.272 85 P C 0.228 177.472 177.300 -0.094 0.000 1.230 85 P CA 0.017 63.079 63.100 -0.063 0.000 0.788 85 P CB 0.616 32.289 31.700 -0.046 0.000 0.949 86 Q N 0.882 120.583 119.800 -0.165 0.000 2.152 86 Q HA -0.229 4.113 4.340 0.004 0.000 0.206 86 Q C 1.889 177.778 176.000 -0.184 0.000 0.985 86 Q CA 1.953 57.517 55.803 -0.397 0.000 0.863 86 Q CB -0.156 28.215 28.738 -0.612 0.000 0.904 86 Q HN 0.655 8.925 8.270 0.000 0.000 0.422 87 E N 0.097 120.273 120.200 -0.041 0.000 2.333 87 E HA -0.172 4.180 4.350 0.004 0.000 0.198 87 E C 0.859 177.587 176.600 0.215 0.000 1.007 87 E CA 0.964 57.423 56.400 0.099 0.000 0.845 87 E CB -0.081 29.662 29.700 0.072 0.000 0.766 87 E HN 0.277 8.637 8.360 0.000 0.000 0.507 88 N N 0.534 119.290 118.700 0.093 0.000 2.353 88 N HA 0.064 4.806 4.740 0.004 0.000 0.185 88 N C -0.176 175.425 175.510 0.152 0.000 1.098 88 N CA 0.190 53.243 53.050 0.005 0.000 0.872 88 N CB 0.288 38.681 38.487 -0.157 0.000 0.970 88 N HN 0.134 8.514 8.380 0.000 0.000 0.467 89 R N 0.731 121.350 120.500 0.199 0.000 2.404 89 R HA 0.506 4.848 4.340 0.004 0.000 0.291 89 R C 0.146 176.535 176.300 0.150 0.000 1.025 89 R CA -0.445 55.712 56.100 0.095 0.000 0.991 89 R CB 1.442 31.780 30.300 0.065 0.000 1.053 89 R HN 0.127 8.397 8.270 0.000 0.000 0.479 90 I N -1.588 118.901 120.570 -0.134 0.000 3.042 90 I HA 0.520 4.692 4.170 0.004 0.000 0.310 90 I C -1.395 174.394 176.117 -0.547 0.000 1.117 90 I CA -1.288 59.891 61.300 -0.202 0.000 1.003 90 I CB 2.067 39.943 38.000 -0.206 0.000 1.228 90 I HN 0.431 8.641 8.210 0.000 0.000 0.443 91 Y N 3.068 123.370 120.300 0.003 0.000 2.327 91 Y HA 0.565 5.117 4.550 0.003 0.000 0.325 91 Y C -0.589 175.311 175.900 0.001 0.000 0.999 91 Y CA -0.887 57.219 58.100 0.010 0.000 1.195 91 Y CB 2.108 40.557 38.460 -0.018 0.000 1.132 91 Y HN 0.283 8.563 8.280 0.000 0.000 0.455 92 V N 5.174 125.154 119.914 0.110 0.000 2.333 92 V HA 0.240 4.362 4.120 0.004 0.000 0.274 92 V C -0.014 176.089 176.094 0.015 0.000 1.028 92 V CA -0.714 61.629 62.300 0.072 0.000 0.851 92 V CB 1.063 32.963 31.823 0.128 0.000 1.000 92 V HN 0.694 8.884 8.190 0.000 0.000 0.456 93 M N 4.846 124.429 119.600 -0.029 0.000 2.193 93 M HA 0.323 4.805 4.480 0.004 0.000 0.342 93 M C -0.353 175.862 176.300 -0.142 0.000 1.413 93 M CA -0.212 55.032 55.300 -0.093 0.000 1.191 93 M CB 0.077 32.619 32.600 -0.097 0.000 1.633 93 M HN 0.567 8.857 8.290 0.000 0.000 0.458 94 D N 2.428 122.705 120.400 -0.205 0.000 2.396 94 D HA 0.171 4.813 4.640 0.004 0.000 0.225 94 D C 0.876 177.082 176.300 -0.155 0.000 1.121 94 D CA 0.173 54.059 54.000 -0.191 0.000 0.853 94 D CB 0.999 41.620 40.800 -0.297 0.000 1.043 94 D HN 0.756 9.126 8.370 0.000 0.000 0.500 95 S N 2.252 117.876 115.700 -0.126 0.000 2.419 95 S HA -0.144 4.328 4.470 0.004 0.000 0.233 95 S C 1.152 175.722 174.600 -0.049 0.000 1.016 95 S CA 0.560 58.698 58.200 -0.102 0.000 0.974 95 S CB -0.445 62.711 63.200 -0.073 0.000 0.786 95 S HN 0.525 8.835 8.310 0.000 0.000 0.492 96 V N 1.530 121.435 119.914 -0.014 0.000 5.691 96 V HA -0.236 3.886 4.120 0.004 0.000 0.288 96 V C 0.786 176.904 176.094 0.040 0.000 0.615 96 V CA 0.987 63.306 62.300 0.032 0.000 0.619 96 V CB -3.023 28.827 31.823 0.045 0.000 0.296 96 V HN 0.613 8.803 8.190 0.000 0.000 0.834 97 F N 0.538 120.429 119.950 -0.098 0.000 2.192 97 F HA -0.202 4.327 4.527 0.004 0.000 0.301 97 F C 2.097 177.823 175.800 -0.123 0.000 1.079 97 F CA 2.429 60.363 58.000 -0.110 0.000 1.303 97 F CB 0.081 39.014 39.000 -0.111 0.000 1.024 97 F HN 0.339 8.639 8.300 0.000 0.000 0.494 98 M N -1.087 118.470 119.600 -0.072 0.000 2.358 98 M HA -0.132 4.350 4.480 0.004 0.000 0.264 98 M C 0.102 175.947 176.300 -0.758 0.000 1.064 98 M CA 1.470 56.561 55.300 -0.350 0.000 1.093 98 M CB -0.856 31.570 32.600 -0.289 0.000 1.401 98 M HN 0.122 8.412 8.290 0.000 0.000 0.440 99 H N -0.396 118.641 119.070 -0.056 0.000 2.514 99 H HA 0.186 4.746 4.556 0.006 0.000 0.226 99 H C 0.598 175.899 175.328 -0.045 0.000 1.421 99 H CA -0.406 55.617 56.048 -0.041 0.000 1.394 99 H CB 0.340 30.097 29.762 -0.009 0.000 1.701 99 H HN 0.093 8.373 8.280 0.000 0.000 0.515 100 L N 2.058 123.248 121.223 -0.055 0.000 2.456 100 L HA -0.077 4.265 4.340 0.004 0.000 0.224 100 L C 2.225 179.102 176.870 0.011 0.000 1.148 100 L CA 1.687 56.458 54.840 -0.114 0.000 0.825 100 L CB -0.321 41.552 42.059 -0.309 0.000 0.937 100 L HN 0.429 8.659 8.230 0.000 0.000 0.450 101 T N -4.228 110.437 114.554 0.186 0.000 3.113 101 T HA -0.083 4.269 4.350 0.004 0.000 0.263 101 T C 1.203 175.975 174.700 0.119 0.000 1.143 101 T CA 0.752 62.992 62.100 0.234 0.000 1.090 101 T CB -0.283 68.708 68.868 0.205 0.000 0.922 101 T HN 0.494 8.734 8.240 0.000 0.000 0.521 102 E N 1.919 122.167 120.200 0.080 0.000 3.167 102 E HA 0.225 4.577 4.350 0.004 0.000 0.210 102 E C -0.140 176.471 176.600 0.019 0.000 1.004 102 E CA -0.379 56.055 56.400 0.056 0.000 1.256 102 E CB 0.460 30.198 29.700 0.063 0.000 1.193 102 E HN 0.635 8.995 8.360 0.000 0.000 0.448 103 S N 1.241 116.925 115.700 -0.026 0.000 2.576 103 S HA 0.268 4.740 4.470 0.004 0.000 0.272 103 S C 0.226 174.776 174.600 -0.083 0.000 1.352 103 S CA -0.469 57.684 58.200 -0.078 0.000 1.021 103 S CB 1.132 64.254 63.200 -0.131 0.000 0.887 103 S HN 0.388 8.698 8.310 0.000 0.000 0.542 104 R N -0.340 120.076 120.500 -0.139 0.000 2.716 104 R HA 0.515 4.857 4.340 0.004 0.000 0.271 104 R C -2.191 173.973 176.300 -0.227 0.000 1.028 104 R CA -0.916 55.093 56.100 -0.151 0.000 0.883 104 R CB 0.445 30.696 30.300 -0.082 0.000 1.250 104 R HN 0.496 8.766 8.270 0.000 0.000 0.465 105 V N 2.242 122.057 119.914 -0.166 0.000 2.394 105 V HA 0.379 4.502 4.120 0.004 0.000 0.282 105 V C -0.317 175.763 176.094 -0.023 0.000 1.031 105 V CA -0.723 61.513 62.300 -0.106 0.000 0.881 105 V CB 1.020 32.824 31.823 -0.031 0.000 0.982 105 V HN 0.575 8.765 8.190 0.000 0.000 0.451 106 H N 2.950 122.049 119.070 0.050 0.000 2.467 106 H HA 0.558 5.116 4.556 0.003 0.000 0.326 106 H C -0.472 174.760 175.328 -0.160 0.000 1.094 106 H CA -0.705 55.344 56.048 0.001 0.000 1.253 106 H CB 1.910 31.843 29.762 0.286 0.000 1.439 106 H HN 0.408 8.688 8.280 0.000 0.000 0.479 107 V N 5.231 124.912 119.914 -0.387 0.000 2.398 107 V HA 0.258 4.380 4.120 0.004 0.000 0.286 107 V C -0.553 175.157 176.094 -0.641 0.000 1.026 107 V CA -0.620 61.372 62.300 -0.513 0.000 0.868 107 V CB 0.341 31.883 31.823 -0.468 0.000 0.982 107 V HN 0.610 8.800 8.190 0.000 0.000 0.443 108 Y N 1.328 121.414 120.300 -0.358 0.000 2.570 108 Y HA 0.455 5.008 4.550 0.005 0.000 0.345 108 Y C 0.098 175.897 175.900 -0.168 0.000 1.014 108 Y CA -0.900 57.074 58.100 -0.211 0.000 1.063 108 Y CB 1.846 40.247 38.460 -0.098 0.000 1.272 108 Y HN 0.553 8.833 8.280 0.000 0.000 0.477 109 D N 1.410 121.846 120.400 0.060 0.000 2.347 109 D HA 0.015 4.657 4.640 0.004 0.000 0.235 109 D C 0.343 176.649 176.300 0.011 0.000 1.149 109 D CA -0.244 53.745 54.000 -0.018 0.000 0.850 109 D CB 0.623 41.381 40.800 -0.070 0.000 1.061 109 D HN 0.613 8.983 8.370 0.000 0.000 0.487 110 Y N 1.875 122.198 120.300 0.038 0.000 2.497 110 Y HA -0.091 4.461 4.550 0.004 0.000 0.292 110 Y C 1.987 177.908 175.900 0.035 0.000 1.137 110 Y CA 1.325 59.440 58.100 0.025 0.000 1.285 110 Y CB -0.821 37.664 38.460 0.041 0.000 0.991 110 Y HN 0.294 8.574 8.280 0.000 0.000 0.556 111 T N -1.427 112.803 114.554 -0.540 0.000 2.995 111 T HA -0.095 4.257 4.350 0.004 0.000 0.269 111 T C 1.031 175.663 174.700 -0.114 0.000 1.091 111 T CA 1.191 63.087 62.100 -0.340 0.000 1.128 111 T CB -0.479 68.154 68.868 -0.393 0.000 0.891 111 T HN 0.645 8.885 8.240 0.000 0.000 0.492 112 N N -0.472 118.181 118.700 -0.079 0.000 2.036 112 N HA 0.238 4.980 4.740 0.004 0.000 0.228 112 N C 1.302 176.821 175.510 0.016 0.000 1.368 112 N CA 0.356 53.390 53.050 -0.027 0.000 0.846 112 N CB -0.056 38.410 38.487 -0.036 0.000 1.145 112 N HN 0.517 8.897 8.380 0.000 0.000 0.502 113 G N 0.846 109.674 108.800 0.046 0.000 2.162 113 G HA2 -0.373 3.590 3.960 0.004 0.000 0.260 113 G HA3 -0.373 3.590 3.960 0.004 0.000 0.260 113 G C -0.163 174.887 174.900 0.249 0.000 0.976 113 G CA 0.553 45.719 45.100 0.109 0.000 0.655 113 G HN 0.684 8.974 8.290 0.000 0.000 0.533 114 K N -0.057 120.442 120.400 0.166 0.000 2.368 114 K HA 0.463 4.785 4.320 0.004 0.000 0.282 114 K C -0.006 176.649 176.600 0.092 0.000 1.035 114 K CA -0.873 55.492 56.287 0.129 0.000 0.973 114 K CB 0.118 32.637 32.500 0.030 0.000 0.957 114 K HN 0.076 8.326 8.250 0.000 0.000 0.474 115 F N 5.946 125.777 119.950 -0.198 0.000 2.506 115 F HA 0.098 4.626 4.527 0.003 0.000 0.371 115 F C 0.385 175.980 175.800 -0.341 0.000 1.078 115 F CA 0.016 57.658 58.000 -0.595 0.000 1.195 115 F CB 0.439 39.120 39.000 -0.531 0.000 1.099 115 F HN 0.537 8.837 8.300 0.000 0.000 0.548 116 L N 5.017 125.786 121.223 -0.756 0.000 2.515 116 L HA 0.467 4.809 4.340 0.004 0.000 0.223 116 L C 1.049 177.642 176.870 -0.463 0.000 1.079 116 L CA 0.407 54.979 54.840 -0.448 0.000 0.857 116 L CB -0.274 41.584 42.059 -0.335 0.000 1.050 116 L HN 0.849 9.079 8.230 0.000 0.000 0.476 117 G N 0.404 108.673 108.800 -0.886 0.000 2.343 117 G HA2 0.408 4.370 3.960 0.004 0.000 0.289 117 G HA3 0.408 4.370 3.960 0.004 0.000 0.289 117 G C -1.710 172.887 174.900 -0.506 0.000 1.295 117 G CA -0.250 44.566 45.100 -0.472 0.000 0.869 117 G HN -0.043 8.247 8.290 0.000 0.000 0.522 118 M N -1.852 117.681 119.600 -0.111 0.000 2.682 118 M HA 0.832 5.314 4.480 0.004 0.000 0.272 118 M C -1.532 174.749 176.300 -0.031 0.000 1.232 118 M CA -0.985 54.318 55.300 0.006 0.000 0.849 118 M CB 1.838 34.597 32.600 0.265 0.000 1.695 118 M HN 0.856 9.146 8.290 0.000 0.000 0.481 119 V N 2.077 121.914 119.914 -0.128 0.000 2.483 119 V HA 0.700 4.822 4.120 0.004 0.000 0.297 119 V C -2.390 173.527 176.094 -0.296 0.000 1.027 119 V CA -1.205 60.849 62.300 -0.411 0.000 0.855 119 V CB 1.951 33.336 31.823 -0.729 0.000 0.995 119 V HN 0.826 9.016 8.190 0.000 0.000 0.424 120 P HA 0.227 4.647 4.420 0.000 0.000 0.276 120 P C 0.176 177.444 177.300 -0.055 0.000 1.230 120 P CA 0.035 63.111 63.100 -0.040 0.000 0.776 120 P CB 1.158 32.915 31.700 0.096 0.000 0.888 121 T N -0.942 113.585 114.554 -0.046 0.000 3.393 121 T HA 0.534 4.886 4.350 0.004 0.000 0.298 121 T C 0.702 175.353 174.700 -0.083 0.000 1.004 121 T CA 0.282 62.347 62.100 -0.059 0.000 0.956 121 T CB -0.471 68.336 68.868 -0.103 0.000 1.182 121 T HN 0.618 8.858 8.240 0.000 0.000 0.497 122 A N 1.858 124.656 122.820 -0.037 0.000 5.584 122 A HA -0.163 4.159 4.320 0.004 0.000 0.303 122 A C -0.036 177.544 177.584 -0.007 0.000 1.923 122 A CA 0.726 52.733 52.037 -0.049 0.000 0.717 122 A CB -1.760 17.056 19.000 -0.306 0.000 1.281 122 A HN 1.126 9.276 8.150 0.000 0.000 0.379 123 F N 2.439 122.304 119.950 -0.142 0.000 2.466 123 F HA 0.469 4.997 4.527 0.002 0.000 0.363 123 F C 1.031 176.798 175.800 -0.055 0.000 1.109 123 F CA 0.629 58.585 58.000 -0.073 0.000 1.161 123 F CB -0.321 38.656 39.000 -0.038 0.000 1.117 123 F HN 1.013 9.313 8.300 0.000 0.000 0.539 124 N N 3.615 121.948 118.700 -0.612 0.000 2.696 124 N HA -0.182 4.560 4.740 0.004 0.000 0.256 124 N C -0.151 175.259 175.510 -0.167 0.000 1.031 124 N CA 0.743 53.498 53.050 -0.492 0.000 0.730 124 N CB -0.970 37.068 38.487 -0.748 0.000 0.894 124 N HN 0.979 9.359 8.380 0.000 0.000 0.544 125 G N 0.600 109.312 108.800 -0.145 0.000 2.544 125 G HA2 0.294 4.257 3.960 0.004 0.000 0.242 125 G HA3 0.294 4.257 3.960 0.004 0.000 0.242 125 G C -0.434 174.423 174.900 -0.071 0.000 1.247 125 G CA -0.268 44.784 45.100 -0.080 0.000 0.840 125 G HN 0.603 8.893 8.290 0.000 0.000 0.578 126 H N -1.101 117.847 119.070 -0.205 0.000 2.731 126 H HA 0.646 5.204 4.556 0.003 0.000 0.368 126 H C -0.945 174.344 175.328 -0.064 0.000 1.168 126 H CA -0.665 55.290 56.048 -0.155 0.000 1.181 126 H CB 2.608 32.217 29.762 -0.255 0.000 1.743 126 H HN 0.417 8.697 8.280 0.000 0.000 0.547 127 V N 1.725 121.804 119.914 0.275 0.000 3.087 127 V HA 0.326 4.448 4.120 0.004 0.000 0.306 127 V C -1.632 174.659 176.094 0.328 0.000 1.187 127 V CA -0.417 62.064 62.300 0.303 0.000 0.999 127 V CB 2.485 34.351 31.823 0.072 0.000 1.049 127 V HN 1.003 9.193 8.190 0.000 0.000 0.431 128 Q N 3.458 123.375 119.800 0.194 0.000 2.534 128 Q HA 0.774 5.116 4.340 0.004 0.000 0.290 128 Q C -2.187 173.672 176.000 -0.235 0.000 0.991 128 Q CA -0.919 54.858 55.803 -0.043 0.000 0.783 128 Q CB 2.362 31.033 28.738 -0.112 0.000 1.470 128 Q HN 0.495 8.765 8.270 0.000 0.000 0.406 129 V N 1.756 121.451 119.914 -0.364 0.000 2.532 129 V HA 0.407 4.529 4.120 0.004 0.000 0.295 129 V C 0.233 176.049 176.094 -0.463 0.000 1.041 129 V CA -0.436 61.537 62.300 -0.545 0.000 0.926 129 V CB 1.515 32.903 31.823 -0.726 0.000 0.992 129 V HN 0.913 9.103 8.190 0.000 0.000 0.457 130 S N 3.284 118.609 115.700 -0.625 0.000 2.558 130 S HA 0.033 4.505 4.470 0.004 0.000 0.288 130 S C 0.959 175.448 174.600 -0.185 0.000 1.318 130 S CA -0.256 57.704 58.200 -0.400 0.000 1.056 130 S CB 0.238 63.193 63.200 -0.408 0.000 0.853 130 S HN 0.695 9.005 8.310 0.000 0.000 0.505 131 N N 2.161 120.819 118.700 -0.069 0.000 2.289 131 N HA -0.121 4.621 4.740 0.004 0.000 0.184 131 N C 1.060 176.560 175.510 -0.017 0.000 1.016 131 N CA 1.530 54.560 53.050 -0.034 0.000 0.872 131 N CB -0.545 37.941 38.487 -0.001 0.000 0.973 131 N HN 0.944 9.324 8.380 0.000 0.000 0.433 132 D N -1.014 119.376 120.400 -0.017 0.000 2.349 132 D HA 0.081 4.723 4.640 0.004 0.000 0.224 132 D C 1.235 177.551 176.300 0.026 0.000 1.029 132 D CA 0.663 54.667 54.000 0.007 0.000 0.879 132 D CB -0.475 40.329 40.800 0.007 0.000 0.906 132 D HN 0.208 8.578 8.370 0.000 0.000 0.528 133 G N 0.631 109.431 108.800 0.000 0.000 2.184 133 G HA2 -0.409 3.553 3.960 0.004 0.000 0.264 133 G HA3 -0.409 3.553 3.960 0.004 0.000 0.264 133 G C 1.118 176.103 174.900 0.142 0.000 0.975 133 G CA 0.639 45.805 45.100 0.111 0.000 0.642 133 G HN 0.488 8.778 8.290 0.000 0.000 0.536 134 K N -0.672 119.740 120.400 0.020 0.000 2.314 134 K HA 0.138 4.460 4.320 0.004 0.000 0.198 134 K C 0.776 177.368 176.600 -0.013 0.000 1.045 134 K CA 0.651 56.956 56.287 0.029 0.000 0.988 134 K CB 0.140 32.649 32.500 0.014 0.000 0.783 134 K HN 0.177 8.427 8.250 0.000 0.000 0.484 135 K N 0.738 121.056 120.400 -0.137 0.000 2.435 135 K HA 0.435 4.757 4.320 0.004 0.000 0.251 135 K C -0.715 175.649 176.600 -0.393 0.000 0.954 135 K CA -0.590 55.585 56.287 -0.187 0.000 0.820 135 K CB 2.254 34.657 32.500 -0.161 0.000 1.292 135 K HN -0.099 8.151 8.250 0.000 0.000 0.436 136 I N 2.156 122.591 120.570 -0.225 0.000 2.377 136 I HA 0.337 4.510 4.170 0.004 0.000 0.293 136 I C -0.659 175.426 176.117 -0.053 0.000 0.987 136 I CA -0.868 60.277 61.300 -0.257 0.000 1.185 136 I CB 0.868 38.792 38.000 -0.127 0.000 1.341 136 I HN 0.380 8.590 8.210 0.000 0.000 0.455 137 Y N 3.696 124.047 120.300 0.084 0.000 2.360 137 Y HA 0.520 5.072 4.550 0.003 0.000 0.337 137 Y C 0.669 176.782 175.900 0.356 0.000 1.039 137 Y CA -0.938 57.304 58.100 0.236 0.000 1.109 137 Y CB 1.966 40.523 38.460 0.162 0.000 1.201 137 Y HN 0.497 8.777 8.280 0.000 0.000 0.458 138 T N 1.066 115.932 114.554 0.520 0.000 2.924 138 T HA 0.683 5.035 4.350 0.004 0.000 0.291 138 T C -0.843 173.919 174.700 0.104 0.000 1.045 138 T CA -1.002 61.263 62.100 0.275 0.000 1.015 138 T CB 2.126 71.067 68.868 0.121 0.000 1.103 138 T HN 0.715 8.955 8.240 0.000 0.000 0.496 139 M N 2.201 121.630 119.600 -0.285 0.000 2.263 139 M HA 0.611 5.093 4.480 0.004 0.000 0.295 139 M C -1.139 175.032 176.300 -0.215 0.000 1.028 139 M CA -0.120 54.939 55.300 -0.402 0.000 0.921 139 M CB 1.921 33.898 32.600 -1.038 0.000 1.601 139 M HN 1.047 9.337 8.290 0.000 0.000 0.440 140 T N 1.605 116.082 114.554 -0.129 0.000 2.711 140 T HA 0.626 4.978 4.350 0.004 0.000 0.302 140 T C -1.565 173.047 174.700 -0.146 0.000 1.373 140 T CA -0.331 61.682 62.100 -0.147 0.000 1.000 140 T CB 2.166 70.897 68.868 -0.229 0.000 1.483 140 T HN 0.682 8.922 8.240 0.000 0.000 0.499 141 T N 2.042 116.498 114.554 -0.163 0.000 2.848 141 T HA 0.694 5.046 4.350 0.004 0.000 0.285 141 T C -1.594 172.943 174.700 -0.272 0.000 0.995 141 T CA -0.257 61.765 62.100 -0.130 0.000 0.970 141 T CB 0.632 69.519 68.868 0.032 0.000 0.976 141 T HN 0.443 8.683 8.240 0.000 0.000 0.441 142 Y N 1.350 121.601 120.300 -0.083 0.000 2.549 142 Y HA 0.564 5.115 4.550 0.002 0.000 0.339 142 Y C 0.836 176.564 175.900 -0.288 0.000 1.053 142 Y CA -1.022 57.036 58.100 -0.071 0.000 1.105 142 Y CB 1.585 40.021 38.460 -0.040 0.000 1.258 142 Y HN 0.572 8.852 8.280 0.000 0.000 0.478 143 H N 0.093 119.252 119.070 0.149 0.000 2.821 143 H HA 0.202 4.760 4.556 0.003 0.000 0.373 143 H C 0.004 175.366 175.328 0.055 0.000 1.165 143 H CA -0.632 55.454 56.048 0.063 0.000 1.154 143 H CB 2.183 31.942 29.762 -0.004 0.000 1.765 143 H HN 0.799 9.079 8.280 0.000 0.000 0.549 144 E N 0.751 121.039 120.200 0.146 0.000 2.130 144 E HA -0.156 4.197 4.350 0.004 0.000 0.196 144 E C 0.532 177.171 176.600 0.065 0.000 0.998 144 E CA 1.101 57.544 56.400 0.071 0.000 0.806 144 E CB 0.318 30.044 29.700 0.044 0.000 0.738 144 E HN 0.221 8.581 8.360 0.000 0.000 0.459 145 R N -0.450 120.095 120.500 0.074 0.000 2.690 145 R HA 0.280 4.623 4.340 0.004 0.000 0.419 145 R C 0.742 177.061 176.300 0.032 0.000 1.090 145 R CA -0.121 56.003 56.100 0.041 0.000 1.064 145 R CB 0.163 30.471 30.300 0.014 0.000 1.391 145 R HN 0.215 8.485 8.270 0.000 0.000 0.586 146 I N -0.722 119.897 120.570 0.082 0.000 4.713 146 I HA -0.462 3.710 4.170 0.004 0.000 0.044 146 I C 1.355 177.407 176.117 -0.108 0.000 0.627 146 I CA 2.484 63.817 61.300 0.054 0.000 0.714 146 I CB -1.416 36.609 38.000 0.041 0.000 0.668 146 I HN 0.258 8.468 8.210 0.000 0.000 0.156 147 T N 0.299 114.772 114.554 -0.134 0.000 3.069 147 T HA 0.370 4.722 4.350 0.004 0.000 0.252 147 T C 0.360 174.927 174.700 -0.221 0.000 1.053 147 T CA 0.263 62.234 62.100 -0.215 0.000 0.964 147 T CB -0.028 68.762 68.868 -0.129 0.000 1.005 147 T HN 0.746 8.986 8.240 0.000 0.000 0.532 148 R N -0.785 119.616 120.500 -0.165 0.000 2.752 148 R HA 0.669 5.011 4.340 0.004 0.000 0.271 148 R C -0.044 176.238 176.300 -0.030 0.000 1.026 148 R CA -0.592 55.440 56.100 -0.113 0.000 0.901 148 R CB 0.454 30.716 30.300 -0.063 0.000 1.243 148 R HN 0.367 8.637 8.270 0.000 0.000 0.463 149 G N 0.939 109.744 108.800 0.009 0.000 2.728 149 G HA2 -0.201 3.761 3.960 0.004 0.000 0.294 149 G HA3 -0.201 3.761 3.960 0.004 0.000 0.294 149 G C -1.203 173.781 174.900 0.139 0.000 1.342 149 G CA -0.185 44.951 45.100 0.060 0.000 0.866 149 G HN 0.787 9.077 8.290 0.000 0.000 0.534 150 K N 0.150 120.609 120.400 0.099 0.000 2.401 150 K HA 0.321 4.643 4.320 0.004 0.000 0.278 150 K C 0.945 177.585 176.600 0.066 0.000 1.018 150 K CA -0.283 56.053 56.287 0.081 0.000 0.981 150 K CB 0.372 32.889 32.500 0.029 0.000 0.933 150 K HN 0.667 8.917 8.250 0.000 0.000 0.477 151 R N 1.985 122.484 120.500 -0.002 0.000 2.390 151 R HA 0.109 4.451 4.340 0.004 0.000 0.291 151 R C -1.095 175.105 176.300 -0.167 0.000 1.070 151 R CA -0.067 55.848 56.100 -0.307 0.000 1.014 151 R CB 0.789 30.964 30.300 -0.209 0.000 1.007 151 R HN 0.507 8.777 8.270 0.000 0.000 0.466 152 S N 3.443 119.044 115.700 -0.164 0.000 2.707 152 S HA 0.208 4.680 4.470 0.004 0.000 0.312 152 S C -1.526 173.074 174.600 -0.000 0.000 1.116 152 S CA -0.923 57.257 58.200 -0.033 0.000 1.078 152 S CB 1.389 64.610 63.200 0.035 0.000 0.997 152 S HN 0.563 8.873 8.310 0.000 0.000 0.477 153 D N 2.608 122.993 120.400 -0.026 0.000 2.210 153 D HA 0.545 5.187 4.640 0.004 0.000 0.249 153 D C 0.043 176.360 176.300 0.029 0.000 1.078 153 D CA -0.148 53.844 54.000 -0.014 0.000 0.875 153 D CB 1.590 42.363 40.800 -0.046 0.000 1.175 153 D HN 0.386 8.756 8.370 0.000 0.000 0.440 154 V N -0.880 119.073 119.914 0.065 0.000 3.114 154 V HA 0.676 4.798 4.120 0.004 0.000 0.308 154 V C -0.753 175.408 176.094 0.112 0.000 1.168 154 V CA -0.900 61.471 62.300 0.120 0.000 1.015 154 V CB 1.909 33.868 31.823 0.228 0.000 1.050 154 V HN 0.191 8.381 8.190 0.000 0.000 0.433 155 V N 2.043 122.052 119.914 0.159 0.000 2.483 155 V HA 0.576 4.698 4.120 0.004 0.000 0.295 155 V C -0.081 176.185 176.094 0.288 0.000 1.035 155 V CA -0.272 62.156 62.300 0.212 0.000 0.896 155 V CB 1.528 33.486 31.823 0.225 0.000 0.986 155 V HN 1.051 9.241 8.190 0.000 0.000 0.447 156 E N 2.780 123.219 120.200 0.399 0.000 2.212 156 E HA 0.590 4.942 4.350 0.004 0.000 0.268 156 E C -1.459 175.461 176.600 0.534 0.000 0.902 156 E CA -0.739 55.967 56.400 0.511 0.000 0.779 156 E CB 2.665 32.849 29.700 0.806 0.000 1.172 156 E HN 0.404 8.764 8.360 0.000 0.000 0.409 157 V N 2.656 122.757 119.914 0.312 0.000 2.394 157 V HA 0.328 4.450 4.120 0.004 0.000 0.282 157 V C -0.994 175.168 176.094 0.113 0.000 1.031 157 V CA -0.671 61.816 62.300 0.312 0.000 0.881 157 V CB 0.286 32.209 31.823 0.167 0.000 0.982 157 V HN 0.595 8.785 8.190 0.000 0.000 0.451 158 W N 1.805 123.146 121.300 0.068 0.000 2.736 158 W HA 0.475 5.135 4.660 0.000 0.000 0.335 158 W C -0.106 176.414 176.519 0.001 0.000 1.059 158 W CA -0.925 56.445 57.345 0.041 0.000 1.226 158 W CB 1.202 30.723 29.460 0.102 0.000 1.416 158 W HN 0.568 8.748 8.180 0.000 0.000 0.505 159 D N 1.118 121.629 120.400 0.186 0.000 2.425 159 D HA 0.324 4.966 4.640 0.004 0.000 0.247 159 D C 1.078 177.484 176.300 0.176 0.000 1.147 159 D CA 0.475 54.552 54.000 0.128 0.000 0.879 159 D CB 1.539 42.386 40.800 0.078 0.000 1.179 159 D HN 0.433 8.803 8.370 0.000 0.000 0.456 160 A N 3.587 126.484 122.820 0.129 0.000 2.014 160 A HA -0.119 4.203 4.320 0.004 0.000 0.218 160 A C 1.582 179.282 177.584 0.193 0.000 1.163 160 A CA 1.122 53.261 52.037 0.171 0.000 0.652 160 A CB -0.084 19.032 19.000 0.193 0.000 0.808 160 A HN 0.647 8.797 8.150 0.000 0.000 0.449 161 D N -0.726 119.758 120.400 0.140 0.000 2.262 161 D HA 0.012 4.654 4.640 0.004 0.000 0.212 161 D C 1.548 177.912 176.300 0.106 0.000 0.964 161 D CA 0.726 54.790 54.000 0.108 0.000 0.875 161 D CB -0.046 40.796 40.800 0.071 0.000 0.996 161 D HN 0.151 8.521 8.370 0.000 0.000 0.497 162 K N 0.498 120.966 120.400 0.113 0.000 2.400 162 K HA 0.181 4.503 4.320 0.004 0.000 0.194 162 K C 0.681 177.385 176.600 0.173 0.000 1.033 162 K CA -0.158 56.199 56.287 0.117 0.000 1.021 162 K CB 0.502 33.053 32.500 0.084 0.000 0.808 162 K HN 0.166 8.416 8.250 0.000 0.000 0.505 163 L N 2.420 123.779 121.223 0.227 0.000 3.739 163 L HA -0.222 4.120 4.340 0.004 0.000 0.442 163 L C -0.264 176.932 176.870 0.544 0.000 1.241 163 L CA 0.783 55.831 54.840 0.346 0.000 0.819 163 L CB -2.285 39.908 42.059 0.222 0.000 1.679 163 L HN 0.214 8.444 8.230 0.000 0.000 0.889 164 T N -3.116 111.692 114.554 0.424 0.000 2.885 164 T HA 0.578 4.930 4.350 0.004 0.000 0.285 164 T C -0.447 174.104 174.700 -0.249 0.000 1.019 164 T CA -0.782 61.423 62.100 0.175 0.000 1.010 164 T CB 2.284 71.186 68.868 0.057 0.000 1.022 164 T HN 0.152 8.392 8.240 0.000 0.000 0.466 165 F N 1.740 121.063 119.950 -1.045 0.000 2.495 165 F HA 0.336 4.866 4.527 0.004 0.000 0.365 165 F C 1.007 176.460 175.800 -0.578 0.000 1.090 165 F CA -0.217 56.944 58.000 -1.399 0.000 1.235 165 F CB 0.689 38.952 39.000 -1.228 0.000 1.119 165 F HN 0.833 9.133 8.300 0.000 0.000 0.562 166 E N 3.087 122.488 120.200 -1.331 0.000 2.288 166 E HA 0.124 4.476 4.350 0.004 0.000 0.200 166 E C -0.421 175.522 176.600 -1.094 0.000 0.880 166 E CA -0.129 55.724 56.400 -0.912 0.000 0.971 166 E CB 0.596 30.037 29.700 -0.431 0.000 0.954 166 E HN 0.480 8.840 8.360 0.000 0.000 0.489 167 K N 1.118 120.812 120.400 -1.178 0.000 2.542 167 K HA 0.196 4.518 4.320 0.004 0.000 0.259 167 K C -1.855 174.651 176.600 -0.156 0.000 0.932 167 K CA -0.421 55.551 56.287 -0.525 0.000 0.820 167 K CB 2.376 34.742 32.500 -0.222 0.000 1.345 167 K HN -0.102 8.149 8.250 0.000 0.000 0.432 168 E N 4.723 125.035 120.200 0.186 0.000 2.166 168 E HA 0.360 4.712 4.350 0.004 0.000 0.275 168 E C -1.114 175.579 176.600 0.155 0.000 0.941 168 E CA -0.679 55.897 56.400 0.293 0.000 0.784 168 E CB 0.991 30.881 29.700 0.317 0.000 1.115 168 E HN 0.471 8.831 8.360 0.000 0.000 0.399 169 I N 3.435 124.096 120.570 0.151 0.000 2.382 169 I HA 0.179 4.351 4.170 0.004 0.000 0.286 169 I C -0.246 175.938 176.117 0.111 0.000 1.002 169 I CA -0.668 60.700 61.300 0.114 0.000 1.135 169 I CB 1.921 39.984 38.000 0.106 0.000 1.288 169 I HN 0.416 8.626 8.210 0.000 0.000 0.448 170 S N 7.064 122.812 115.700 0.080 0.000 2.531 170 S HA 0.457 4.930 4.470 0.004 0.000 0.279 170 S C -0.103 174.494 174.600 -0.004 0.000 1.305 170 S CA -0.353 57.870 58.200 0.039 0.000 1.058 170 S CB 0.405 63.616 63.200 0.019 0.000 0.899 170 S HN 0.327 8.637 8.310 0.000 0.000 0.493 171 L N 4.281 125.463 121.223 -0.069 0.000 2.322 171 L HA 0.561 4.904 4.340 0.004 0.000 0.269 171 L C -2.061 174.630 176.870 -0.299 0.000 1.012 171 L CA -2.590 52.104 54.840 -0.243 0.000 0.815 171 L CB 1.178 43.159 42.059 -0.130 0.000 1.295 171 L HN 0.377 8.607 8.230 0.000 0.000 0.438 172 P HA 0.109 4.529 4.420 0.000 0.000 0.269 172 P C -2.529 174.674 177.300 -0.162 0.000 1.215 172 P CA -1.371 61.559 63.100 -0.284 0.000 0.780 172 P CB -0.112 31.399 31.700 -0.316 0.000 0.898 173 P HA 0.096 4.516 4.420 0.000 0.000 0.225 173 P C 0.067 177.354 177.300 -0.021 0.000 1.768 173 P CA 0.223 63.292 63.100 -0.053 0.000 0.943 173 P CB -0.603 31.073 31.700 -0.039 0.000 1.936 174 K N -0.039 120.348 120.400 -0.022 0.000 2.625 174 K HA 0.167 4.489 4.320 0.004 0.000 0.190 174 K C 0.277 176.893 176.600 0.028 0.000 1.174 174 K CA -0.725 55.573 56.287 0.018 0.000 1.103 174 K CB 0.071 32.588 32.500 0.028 0.000 0.900 174 K HN -0.044 8.206 8.250 0.000 0.000 0.540 175 R N 0.656 121.155 120.500 -0.001 0.000 2.679 175 R HA 0.163 4.505 4.340 0.004 0.000 0.268 175 R C 0.075 176.378 176.300 0.004 0.000 1.044 175 R CA -0.506 55.585 56.100 -0.015 0.000 1.105 175 R CB 0.307 30.570 30.300 -0.061 0.000 0.989 175 R HN 0.023 8.293 8.270 0.000 0.000 0.447 176 V N 3.112 123.015 119.914 -0.019 0.000 2.540 176 V HA -0.004 4.119 4.120 0.004 0.000 0.297 176 V C -0.364 175.743 176.094 0.021 0.000 1.024 176 V CA 0.538 62.870 62.300 0.054 0.000 1.105 176 V CB 0.258 32.106 31.823 0.041 0.000 0.938 176 V HN 0.840 9.030 8.190 0.000 0.000 0.482 177 Q N 5.453 125.340 119.800 0.145 0.000 2.347 177 Q HA 0.722 5.064 4.340 0.004 0.000 0.262 177 Q C 0.100 176.244 176.000 0.241 0.000 0.980 177 Q CA 0.089 56.004 55.803 0.186 0.000 0.867 177 Q CB 1.819 30.717 28.738 0.265 0.000 1.242 177 Q HN 1.071 9.341 8.270 0.000 0.000 0.453 178 G N 1.322 110.293 108.800 0.286 0.000 2.349 178 G HA2 0.268 4.230 3.960 0.004 0.000 0.294 178 G HA3 0.268 4.230 3.960 0.004 0.000 0.294 178 G C -1.250 173.839 174.900 0.314 0.000 1.380 178 G CA -1.048 44.244 45.100 0.320 0.000 0.811 178 G HN 0.423 8.713 8.290 0.000 0.000 0.519 179 L N 0.412 121.782 121.223 0.245 0.000 2.479 179 L HA 0.199 4.541 4.340 0.004 0.000 0.270 179 L C 0.557 177.463 176.870 0.059 0.000 1.236 179 L CA -0.575 54.293 54.840 0.046 0.000 0.823 179 L CB 0.333 42.344 42.059 -0.079 0.000 1.098 179 L HN 0.446 8.676 8.230 0.000 0.000 0.500 180 N N 1.358 119.939 118.700 -0.198 0.000 3.303 180 N HA 0.104 4.846 4.740 0.004 0.000 0.304 180 N C -0.864 174.619 175.510 -0.045 0.000 1.302 180 N CA 0.029 52.949 53.050 -0.216 0.000 1.213 180 N CB -0.101 38.180 38.487 -0.342 0.000 1.481 180 N HN 0.354 8.734 8.380 0.000 0.000 0.546 181 Y N 0.530 120.934 120.300 0.173 0.000 2.411 181 Y HA -0.035 4.518 4.550 0.004 0.000 0.333 181 Y C 1.743 177.751 175.900 0.180 0.000 1.186 181 Y CA -0.274 57.949 58.100 0.204 0.000 1.381 181 Y CB 0.772 39.388 38.460 0.259 0.000 1.273 181 Y HN 0.184 8.464 8.280 0.000 0.000 0.546 182 D N 2.485 123.069 120.400 0.307 0.000 2.133 182 D HA -0.156 4.486 4.640 0.004 0.000 0.195 182 D C 2.103 178.518 176.300 0.192 0.000 0.997 182 D CA 1.692 55.821 54.000 0.215 0.000 0.840 182 D CB -0.398 40.503 40.800 0.168 0.000 0.947 182 D HN 0.889 9.259 8.370 0.000 0.000 0.452 183 G N -0.151 108.759 108.800 0.183 0.000 2.776 183 G HA2 -0.051 3.911 3.960 0.004 0.000 0.209 183 G HA3 -0.051 3.911 3.960 0.004 0.000 0.209 183 G C 1.388 176.277 174.900 -0.019 0.000 1.145 183 G CA -0.062 45.080 45.100 0.070 0.000 0.791 183 G HN 0.265 8.555 8.290 0.000 0.000 0.530 184 L N -1.242 120.022 121.223 0.068 0.000 2.509 184 L HA 0.378 4.720 4.340 0.004 0.000 0.222 184 L C 0.116 177.041 176.870 0.093 0.000 1.123 184 L CA 0.092 54.915 54.840 -0.029 0.000 0.856 184 L CB 0.273 42.364 42.059 0.054 0.000 0.985 184 L HN 0.173 8.403 8.230 0.000 0.000 0.456 185 F N 1.030 120.965 119.950 -0.025 0.000 3.164 185 F HA 0.452 4.981 4.527 0.004 0.000 0.375 185 F C -0.392 175.410 175.800 0.004 0.000 1.257 185 F CA -0.789 57.201 58.000 -0.016 0.000 1.171 185 F CB 0.371 39.408 39.000 0.061 0.000 1.588 185 F HN -0.240 8.060 8.300 0.000 0.000 0.604 186 R N 2.764 123.114 120.500 -0.249 0.000 3.121 186 R HA 0.627 4.969 4.340 0.004 0.000 0.242 186 R C -1.064 175.062 176.300 -0.291 0.000 1.402 186 R CA -0.802 55.156 56.100 -0.238 0.000 1.042 186 R CB 1.872 32.082 30.300 -0.149 0.000 1.410 186 R HN 0.707 8.977 8.270 0.000 0.000 0.494 187 Q N -0.810 118.885 119.800 -0.174 0.000 2.534 187 Q HA 0.402 4.744 4.340 0.004 0.000 0.290 187 Q C -0.955 175.022 176.000 -0.037 0.000 0.991 187 Q CA -0.909 54.826 55.803 -0.114 0.000 0.783 187 Q CB 1.607 30.309 28.738 -0.061 0.000 1.470 187 Q HN 0.608 8.878 8.270 0.000 0.000 0.406 188 T N -1.121 113.453 114.554 0.033 0.000 2.856 188 T HA 0.095 4.447 4.350 0.004 0.000 0.306 188 T C 0.994 175.734 174.700 0.068 0.000 1.062 188 T CA 0.407 62.564 62.100 0.095 0.000 1.083 188 T CB 0.752 69.737 68.868 0.195 0.000 0.984 188 T HN 0.616 8.856 8.240 0.000 0.000 0.542 189 T N 1.543 116.141 114.554 0.073 0.000 2.737 189 T HA -0.149 4.203 4.350 0.004 0.000 0.269 189 T C 1.595 176.326 174.700 0.052 0.000 1.040 189 T CA 1.849 63.984 62.100 0.058 0.000 1.142 189 T CB -0.598 68.309 68.868 0.065 0.000 0.861 189 T HN 0.946 9.186 8.240 0.000 0.000 0.456 190 D N 0.466 120.904 120.400 0.063 0.000 2.363 190 D HA 0.131 4.773 4.640 0.004 0.000 0.220 190 D C 1.567 177.880 176.300 0.022 0.000 0.994 190 D CA 0.884 54.911 54.000 0.046 0.000 0.890 190 D CB -0.832 40.004 40.800 0.059 0.000 0.906 190 D HN 0.482 8.852 8.370 0.000 0.000 0.530 191 G N 0.605 109.419 108.800 0.024 0.000 2.184 191 G HA2 -0.397 3.565 3.960 0.004 0.000 0.264 191 G HA3 -0.397 3.565 3.960 0.004 0.000 0.264 191 G C 1.094 175.955 174.900 -0.064 0.000 0.975 191 G CA 0.559 45.665 45.100 0.009 0.000 0.642 191 G HN 0.479 8.769 8.290 0.000 0.000 0.536 192 K N -1.074 119.240 120.400 -0.143 0.000 2.305 192 K HA 0.292 4.615 4.320 0.004 0.000 0.199 192 K C 0.045 176.132 176.600 -0.855 0.000 1.047 192 K CA 0.559 56.568 56.287 -0.462 0.000 0.976 192 K CB 0.210 32.400 32.500 -0.517 0.000 0.765 192 K HN 0.404 8.654 8.250 0.000 0.000 0.474 193 F N 0.428 120.343 119.950 -0.058 0.000 2.547 193 F HA 0.393 4.922 4.527 0.004 0.000 0.316 193 F C -0.043 175.664 175.800 -0.155 0.000 1.121 193 F CA -1.088 56.852 58.000 -0.100 0.000 0.911 193 F CB 1.291 40.250 39.000 -0.069 0.000 1.179 193 F HN -0.275 8.025 8.300 0.000 0.000 0.443 194 I N 3.588 124.117 120.570 -0.068 0.000 2.428 194 I HA 0.401 4.573 4.170 0.004 0.000 0.289 194 I C -0.750 175.290 176.117 -0.128 0.000 1.019 194 I CA -0.673 60.518 61.300 -0.181 0.000 1.351 194 I CB 1.198 39.030 38.000 -0.279 0.000 1.412 194 I HN 0.228 8.438 8.210 0.000 0.000 0.513 195 V N 7.382 127.167 119.914 -0.216 0.000 2.443 195 V HA 0.464 4.586 4.120 0.004 0.000 0.293 195 V C -0.402 175.560 176.094 -0.220 0.000 1.021 195 V CA -0.600 61.514 62.300 -0.310 0.000 0.848 195 V CB 1.418 32.871 31.823 -0.617 0.000 0.998 195 V HN 0.534 8.724 8.190 0.000 0.000 0.424 196 L N 2.307 123.463 121.223 -0.111 0.000 2.350 196 L HA 0.904 5.246 4.340 0.004 0.000 0.260 196 L C -0.653 176.174 176.870 -0.071 0.000 1.015 196 L CA -0.978 53.869 54.840 0.013 0.000 0.821 196 L CB 1.878 44.058 42.059 0.201 0.000 1.370 196 L HN 0.465 8.695 8.230 0.000 0.000 0.416 197 Q N 1.668 121.388 119.800 -0.132 0.000 2.256 197 Q HA 0.487 4.829 4.340 0.004 0.000 0.254 197 Q C -1.212 174.726 176.000 -0.103 0.000 0.916 197 Q CA 0.129 55.798 55.803 -0.223 0.000 0.932 197 Q CB 0.974 29.385 28.738 -0.544 0.000 1.207 197 Q HN 0.733 9.003 8.270 0.000 0.000 0.426 198 N N 1.817 120.514 118.700 -0.005 0.000 2.430 198 N HA 0.791 5.534 4.740 0.004 0.000 0.298 198 N C -1.539 174.079 175.510 0.181 0.000 1.130 198 N CA -0.380 52.717 53.050 0.080 0.000 0.894 198 N CB 1.948 40.496 38.487 0.102 0.000 1.209 198 N HN 0.622 9.002 8.380 0.000 0.000 0.503 199 A N -0.056 122.879 122.820 0.192 0.000 2.456 199 A HA 0.433 4.755 4.320 0.004 0.000 0.288 199 A C 0.115 177.781 177.584 0.136 0.000 1.042 199 A CA -0.591 51.580 52.037 0.224 0.000 0.738 199 A CB 0.560 19.756 19.000 0.326 0.000 1.266 199 A HN 0.613 8.763 8.150 0.000 0.000 0.407 200 S N 1.723 117.485 115.700 0.104 0.000 2.603 200 S HA 0.205 4.678 4.470 0.004 0.000 0.232 200 S C -0.552 174.082 174.600 0.055 0.000 1.016 200 S CA 0.440 58.683 58.200 0.072 0.000 0.976 200 S CB -0.391 62.844 63.200 0.058 0.000 0.921 200 S HN 0.619 8.929 8.310 0.000 0.000 0.516 201 P HA 0.429 4.849 4.420 0.000 0.000 0.249 201 P C 0.423 177.762 177.300 0.065 0.000 1.229 201 P CA 0.058 63.192 63.100 0.056 0.000 0.788 201 P CB -0.196 31.519 31.700 0.025 0.000 1.072 202 A N 1.344 124.201 122.820 0.062 0.000 2.540 202 A HA 0.346 4.668 4.320 0.004 0.000 0.239 202 A C 0.735 178.388 177.584 0.114 0.000 1.061 202 A CA 0.342 52.421 52.037 0.070 0.000 0.758 202 A CB -0.279 18.756 19.000 0.057 0.000 0.991 202 A HN 0.398 8.548 8.150 0.000 0.000 0.502 203 T N 0.027 114.665 114.554 0.140 0.000 2.907 203 T HA 0.727 5.079 4.350 0.004 0.000 0.284 203 T C -0.058 174.733 174.700 0.152 0.000 1.004 203 T CA 0.136 62.362 62.100 0.209 0.000 1.063 203 T CB 1.096 70.169 68.868 0.342 0.000 0.992 203 T HN 1.845 10.085 8.240 0.000 0.000 0.483 204 S N 1.640 117.425 115.700 0.141 0.000 2.615 204 S HA 0.666 5.138 4.470 0.004 0.000 0.269 204 S C -1.302 173.349 174.600 0.084 0.000 1.161 204 S CA -1.148 57.117 58.200 0.108 0.000 0.817 204 S CB 0.767 64.030 63.200 0.105 0.000 1.131 204 S HN 0.808 9.118 8.310 0.000 0.000 0.467 205 I N 1.265 121.878 120.570 0.072 0.000 2.404 205 I HA 0.604 4.776 4.170 0.004 0.000 0.293 205 I C 0.668 176.798 176.117 0.023 0.000 0.992 205 I CA -0.602 60.713 61.300 0.025 0.000 1.149 205 I CB 1.806 39.828 38.000 0.037 0.000 1.315 205 I HN 0.931 9.141 8.210 0.000 0.000 0.446 206 G N 6.925 115.737 108.800 0.020 0.000 2.371 206 G HA2 0.660 4.622 3.960 0.004 0.000 0.326 206 G HA3 0.660 4.622 3.960 0.004 0.000 0.326 206 G C -0.697 174.078 174.900 -0.208 0.000 1.127 206 G CA -0.356 44.723 45.100 -0.036 0.000 0.885 206 G HN 0.329 8.619 8.290 0.000 0.000 0.477 207 I N 1.889 122.188 120.570 -0.452 0.000 2.406 207 I HA 0.320 4.492 4.170 0.004 0.000 0.290 207 I C -0.374 175.575 176.117 -0.279 0.000 0.999 207 I CA -1.044 60.086 61.300 -0.283 0.000 1.124 207 I CB 1.402 39.257 38.000 -0.242 0.000 1.289 207 I HN 0.047 8.257 8.210 0.000 0.000 0.441 208 V N 5.088 124.971 119.914 -0.052 0.000 2.384 208 V HA 0.260 4.382 4.120 0.004 0.000 0.287 208 V C -0.049 176.114 176.094 0.116 0.000 1.020 208 V CA -0.662 61.657 62.300 0.031 0.000 0.850 208 V CB 2.033 33.884 31.823 0.047 0.000 0.987 208 V HN 0.643 8.833 8.190 0.000 0.000 0.436 209 D N 4.201 124.681 120.400 0.133 0.000 2.336 209 D HA 0.158 4.800 4.640 0.004 0.000 0.249 209 D C 0.922 177.153 176.300 -0.115 0.000 1.213 209 D CA 0.021 54.041 54.000 0.033 0.000 0.870 209 D CB 1.929 42.818 40.800 0.147 0.000 1.076 209 D HN 0.250 8.620 8.370 0.000 0.000 0.483 210 V N 4.639 124.403 119.914 -0.249 0.000 2.295 210 V HA -0.229 3.893 4.120 0.004 0.000 0.246 210 V C 2.481 178.498 176.094 -0.129 0.000 1.049 210 V CA 2.090 64.267 62.300 -0.204 0.000 1.024 210 V CB -0.724 30.958 31.823 -0.235 0.000 0.648 210 V HN 0.701 8.891 8.190 0.000 0.000 0.447 211 A N -0.254 122.475 122.820 -0.152 0.000 1.902 211 A HA -0.225 4.097 4.320 0.004 0.000 0.217 211 A C 2.274 179.825 177.584 -0.056 0.000 1.181 211 A CA 1.912 53.893 52.037 -0.093 0.000 0.623 211 A CB -0.400 18.538 19.000 -0.104 0.000 0.818 211 A HN 0.543 8.693 8.150 0.000 0.000 0.443 212 K N -1.611 118.761 120.400 -0.047 0.000 2.296 212 K HA 0.146 4.468 4.320 0.004 0.000 0.200 212 K C 1.002 177.601 176.600 -0.001 0.000 1.048 212 K CA 0.483 56.764 56.287 -0.010 0.000 0.966 212 K CB -0.160 32.349 32.500 0.015 0.000 0.754 212 K HN 0.685 8.935 8.250 0.000 0.000 0.466 213 G N 2.737 111.530 108.800 -0.011 0.000 2.246 213 G HA2 -0.200 3.762 3.960 0.004 0.000 0.273 213 G HA3 -0.200 3.762 3.960 0.004 0.000 0.273 213 G C -0.881 174.043 174.900 0.041 0.000 1.055 213 G CA 0.328 45.431 45.100 0.006 0.000 0.851 213 G HN 0.257 8.547 8.290 0.000 0.000 0.500 214 D N -1.506 118.928 120.400 0.058 0.000 2.732 214 D HA 0.394 5.036 4.640 0.004 0.000 0.229 214 D C -0.469 175.919 176.300 0.147 0.000 1.152 214 D CA -0.649 53.411 54.000 0.100 0.000 0.854 214 D CB 1.054 41.904 40.800 0.084 0.000 1.590 214 D HN 0.121 8.491 8.370 0.000 0.000 0.468 215 Y N 1.690 122.014 120.300 0.041 0.000 2.480 215 Y HA 0.227 4.779 4.550 0.004 0.000 0.341 215 Y C 1.186 177.112 175.900 0.044 0.000 1.031 215 Y CA 0.244 58.370 58.100 0.044 0.000 1.295 215 Y CB 0.559 39.041 38.460 0.036 0.000 1.162 215 Y HN 0.191 8.471 8.280 0.000 0.000 0.523 216 V N 1.238 121.064 119.914 -0.146 0.000 3.604 216 V HA 0.406 4.528 4.120 0.004 0.000 0.277 216 V C -0.365 175.640 176.094 -0.149 0.000 1.399 216 V CA 0.442 62.699 62.300 -0.072 0.000 1.034 216 V CB 0.496 32.319 31.823 -0.001 0.000 0.824 216 V HN 0.622 8.812 8.190 0.000 0.000 0.439 217 E N -0.049 119.945 120.200 -0.343 0.000 2.375 217 E HA 0.473 4.826 4.350 0.004 0.000 0.280 217 E C -2.157 174.263 176.600 -0.299 0.000 0.972 217 E CA -0.340 55.920 56.400 -0.233 0.000 0.782 217 E CB 2.069 31.657 29.700 -0.187 0.000 1.229 217 E HN 0.193 8.553 8.360 0.000 0.000 0.439 218 D N 3.276 123.628 120.400 -0.079 0.000 2.473 218 D HA 0.270 4.912 4.640 0.004 0.000 0.253 218 D C -1.040 175.279 176.300 0.032 0.000 1.233 218 D CA -0.406 53.612 54.000 0.029 0.000 0.908 218 D CB 1.666 42.572 40.800 0.176 0.000 1.170 218 D HN 0.254 8.624 8.370 0.000 0.000 0.558 219 V N 4.517 124.453 119.914 0.035 0.000 2.276 219 V HA 0.053 4.175 4.120 0.004 0.000 0.249 219 V C 1.972 178.099 176.094 0.056 0.000 1.160 219 V CA 0.081 62.407 62.300 0.044 0.000 1.042 219 V CB 0.002 31.874 31.823 0.082 0.000 1.224 219 V HN 0.661 8.851 8.190 0.000 0.000 0.496 220 T N 0.675 115.256 114.554 0.046 0.000 3.007 220 T HA -0.110 4.243 4.350 0.004 0.000 0.270 220 T C 1.902 176.624 174.700 0.037 0.000 1.107 220 T CA 1.028 63.156 62.100 0.047 0.000 1.118 220 T CB -0.015 68.877 68.868 0.040 0.000 0.889 220 T HN 0.624 8.864 8.240 0.000 0.000 0.506 221 A N 1.533 124.368 122.820 0.025 0.000 2.076 221 A HA 0.341 4.663 4.320 0.004 0.000 0.220 221 A C 2.475 180.075 177.584 0.027 0.000 1.160 221 A CA 1.370 53.416 52.037 0.015 0.000 0.653 221 A CB -1.010 17.987 19.000 -0.005 0.000 0.801 221 A HN 0.784 8.934 8.150 0.000 0.000 0.455 222 A N -0.752 122.098 122.820 0.050 0.000 2.278 222 A HA 0.607 4.929 4.320 0.004 0.000 0.212 222 A C 1.149 178.783 177.584 0.083 0.000 1.213 222 A CA 0.493 52.572 52.037 0.070 0.000 0.840 222 A CB -0.890 18.169 19.000 0.098 0.000 0.866 222 A HN 0.989 9.139 8.150 0.000 0.000 0.489 223 A N -0.738 122.123 122.820 0.068 0.000 2.546 223 A HA 0.424 4.746 4.320 0.004 0.000 0.243 223 A C 1.654 179.277 177.584 0.066 0.000 1.063 223 A CA 0.707 52.787 52.037 0.072 0.000 0.757 223 A CB -0.608 18.423 19.000 0.050 0.000 0.991 223 A HN 1.961 10.111 8.150 0.000 0.000 0.503 224 G N 0.692 109.540 108.800 0.080 0.000 2.179 224 G HA2 -0.264 3.698 3.960 0.004 0.000 0.260 224 G HA3 -0.264 3.698 3.960 0.004 0.000 0.260 224 G C 0.380 175.332 174.900 0.086 0.000 0.977 224 G CA 0.369 45.504 45.100 0.059 0.000 0.641 224 G HN 1.193 9.483 8.290 0.000 0.000 0.533 225 c N -0.664 118.020 118.600 0.139 0.000 2.423 225 c HA 0.913 5.486 4.570 0.004 0.000 0.378 225 c C 0.224 174.524 174.090 0.350 0.000 1.244 225 c CA -0.823 55.613 56.329 0.179 0.000 1.978 225 c CB 1.422 44.007 42.510 0.125 0.000 2.252 225 c HN 0.515 8.745 8.230 0.000 0.000 0.526 226 W N 1.047 122.360 121.300 0.023 0.000 3.624 226 W HA 0.469 5.131 4.660 0.003 0.000 0.312 226 W C -0.531 176.006 176.519 0.031 0.000 1.203 226 W CA 0.222 57.579 57.345 0.021 0.000 1.225 226 W CB 1.641 31.100 29.460 -0.002 0.000 1.321 226 W HN 1.227 9.407 8.180 0.000 0.000 0.506 227 S N 1.881 117.286 115.700 -0.492 0.000 3.661 227 S HA -0.170 4.302 4.470 0.004 0.000 0.772 227 S C -1.881 172.645 174.600 -0.123 0.000 1.194 227 S CA -0.260 57.715 58.200 -0.375 0.000 1.148 227 S CB -1.074 61.990 63.200 -0.227 0.000 0.564 227 S HN 0.899 9.209 8.310 0.000 0.000 0.482 228 V N 2.185 122.041 119.914 -0.096 0.000 2.407 228 V HA 0.652 4.774 4.120 0.004 0.000 0.291 228 V C -0.209 175.899 176.094 0.023 0.000 1.018 228 V CA -0.488 61.780 62.300 -0.053 0.000 0.842 228 V CB 1.235 32.919 31.823 -0.233 0.000 0.996 228 V HN 0.772 8.962 8.190 0.000 0.000 0.426 229 I N 7.704 128.335 120.570 0.102 0.000 2.371 229 I HA 0.423 4.596 4.170 0.004 0.000 0.282 229 I C -2.438 173.713 176.117 0.057 0.000 1.031 229 I CA -1.837 59.521 61.300 0.097 0.000 1.180 229 I CB 1.639 39.736 38.000 0.160 0.000 1.336 229 I HN 0.419 8.629 8.210 0.000 0.000 0.467 230 P HA 0.133 4.553 4.420 0.000 0.000 0.271 230 P C -0.990 176.261 177.300 -0.081 0.000 1.218 230 P CA -0.441 62.678 63.100 0.031 0.000 0.780 230 P CB 0.448 32.166 31.700 0.030 0.000 0.901 231 Q N 3.642 123.349 119.800 -0.155 0.000 2.349 231 Q HA 0.172 4.514 4.340 0.004 0.000 0.254 231 Q C -1.714 174.326 176.000 0.066 0.000 0.980 231 Q CA -1.561 54.076 55.803 -0.276 0.000 0.924 231 Q CB 0.715 29.191 28.738 -0.437 0.000 1.209 231 Q HN 0.342 8.612 8.270 0.000 0.000 0.445 232 P HA -0.114 4.306 4.420 0.000 0.000 0.234 232 P C 0.375 177.766 177.300 0.151 0.000 1.167 232 P CA 0.860 64.053 63.100 0.156 0.000 0.763 232 P CB 0.239 32.030 31.700 0.151 0.000 0.835 233 N N -0.940 117.889 118.700 0.214 0.000 2.280 233 N HA 0.022 4.764 4.740 0.004 0.000 0.192 233 N C 0.281 175.863 175.510 0.119 0.000 1.109 233 N CA 0.134 53.277 53.050 0.154 0.000 0.855 233 N CB 0.110 38.697 38.487 0.167 0.000 0.974 233 N HN 0.068 8.448 8.380 0.000 0.000 0.482 234 R N 0.005 120.568 120.500 0.106 0.000 2.771 234 R HA 0.348 4.691 4.340 0.004 0.000 0.274 234 R C -1.915 174.423 176.300 0.064 0.000 0.987 234 R CA -1.632 54.511 56.100 0.071 0.000 0.908 234 R CB 2.205 32.537 30.300 0.053 0.000 1.213 234 R HN -0.096 8.174 8.270 0.000 0.000 0.468 235 P HA -0.071 4.349 4.420 0.000 0.000 0.217 235 P C -0.017 177.341 177.300 0.097 0.000 1.151 235 P CA 1.201 64.345 63.100 0.073 0.000 0.828 235 P CB 0.440 32.182 31.700 0.070 0.000 0.788 236 R N -0.865 119.686 120.500 0.085 0.000 2.635 236 R HA 0.370 4.712 4.340 0.004 0.000 0.393 236 R C -0.451 175.889 176.300 0.067 0.000 1.070 236 R CA -0.049 56.118 56.100 0.111 0.000 1.118 236 R CB 0.824 31.183 30.300 0.099 0.000 1.341 236 R HN -0.024 8.246 8.270 0.000 0.000 0.628 237 S N 0.999 116.729 115.700 0.051 0.000 2.536 237 S HA 0.768 5.240 4.470 0.004 0.000 0.298 237 S C -0.845 173.769 174.600 0.022 0.000 1.083 237 S CA -0.676 57.489 58.200 -0.059 0.000 0.995 237 S CB 1.389 64.528 63.200 -0.102 0.000 1.058 237 S HN 0.324 8.634 8.310 0.000 0.000 0.488 238 F N -0.701 119.175 119.950 -0.123 0.000 2.686 238 F HA 0.789 5.319 4.527 0.004 0.000 0.311 238 F C -1.304 174.419 175.800 -0.129 0.000 1.128 238 F CA -1.350 56.567 58.000 -0.138 0.000 0.946 238 F CB 1.034 39.978 39.000 -0.094 0.000 1.336 238 F HN 0.380 8.680 8.300 0.000 0.000 0.457 239 M N 1.339 120.990 119.600 0.085 0.000 2.662 239 M HA 0.672 5.155 4.480 0.004 0.000 0.310 239 M C -0.834 175.566 176.300 0.166 0.000 1.204 239 M CA -0.779 54.541 55.300 0.033 0.000 0.891 239 M CB 2.568 35.161 32.600 -0.011 0.000 1.732 239 M HN 0.849 9.139 8.290 0.000 0.000 0.467 240 T N 1.024 115.643 114.554 0.110 0.000 2.900 240 T HA 0.700 5.052 4.350 0.004 0.000 0.303 240 T C -1.428 173.316 174.700 0.073 0.000 1.142 240 T CA -0.624 61.543 62.100 0.110 0.000 1.007 240 T CB 1.122 70.068 68.868 0.131 0.000 1.156 240 T HN 0.539 8.779 8.240 0.000 0.000 0.490 241 I N 3.239 123.854 120.570 0.076 0.000 2.342 241 I HA 0.394 4.566 4.170 0.004 0.000 0.291 241 I C 0.272 176.446 176.117 0.096 0.000 1.010 241 I CA -0.578 60.760 61.300 0.063 0.000 1.308 241 I CB 0.753 38.773 38.000 0.035 0.000 1.400 241 I HN 0.579 8.789 8.210 0.000 0.000 0.488 242 c N 3.459 122.090 118.600 0.052 0.000 2.407 242 c HA 0.425 4.997 4.570 0.004 0.000 0.366 242 c C 1.874 175.947 174.090 -0.027 0.000 1.213 242 c CA -0.488 55.855 56.329 0.025 0.000 2.011 242 c CB 1.311 43.820 42.510 -0.001 0.000 2.306 242 c HN 0.988 9.218 8.230 0.000 0.000 0.527 243 G N 0.616 109.395 108.800 -0.035 0.000 2.559 243 G HA2 -0.154 3.808 3.960 0.004 0.000 0.216 243 G HA3 -0.154 3.808 3.960 0.004 0.000 0.216 243 G C 0.911 175.725 174.900 -0.143 0.000 1.126 243 G CA 1.156 46.211 45.100 -0.076 0.000 0.778 243 G HN 0.927 9.217 8.290 0.000 0.000 0.543 244 D N -0.467 119.840 120.400 -0.154 0.000 2.340 244 D HA 0.146 4.788 4.640 0.004 0.000 0.220 244 D C 1.707 177.802 176.300 -0.342 0.000 1.039 244 D CA 0.623 54.505 54.000 -0.197 0.000 0.866 244 D CB -0.535 40.184 40.800 -0.134 0.000 0.913 244 D HN 0.418 8.788 8.370 0.000 0.000 0.523 245 G N -0.559 107.941 108.800 -0.501 0.000 2.159 245 G HA2 -0.156 3.806 3.960 0.004 0.000 0.256 245 G HA3 -0.156 3.806 3.960 0.004 0.000 0.256 245 G C 0.557 175.132 174.900 -0.542 0.000 0.977 245 G CA 0.201 44.672 45.100 -1.049 0.000 0.652 245 G HN 0.826 9.116 8.290 0.000 0.000 0.531 246 G N -1.164 107.492 108.800 -0.240 0.000 2.705 246 G HA2 0.757 4.719 3.960 0.004 0.000 0.299 246 G HA3 0.757 4.719 3.960 0.004 0.000 0.299 246 G C -0.474 174.408 174.900 -0.029 0.000 1.315 246 G CA -1.120 43.923 45.100 -0.094 0.000 1.045 246 G HN 0.647 8.937 8.290 0.000 0.000 0.517 247 L N -0.032 121.190 121.223 -0.002 0.000 2.346 247 L HA 0.462 4.804 4.340 0.004 0.000 0.276 247 L C -0.876 175.994 176.870 -0.001 0.000 1.006 247 L CA -0.848 53.999 54.840 0.013 0.000 0.817 247 L CB 2.047 44.132 42.059 0.042 0.000 1.272 247 L HN 0.336 8.566 8.230 0.000 0.000 0.421 248 L N 2.494 123.714 121.223 -0.006 0.000 2.264 248 L HA 0.495 4.837 4.340 0.004 0.000 0.289 248 L C -0.172 176.653 176.870 -0.075 0.000 1.044 248 L CA 0.475 55.295 54.840 -0.033 0.000 0.807 248 L CB 1.544 43.591 42.059 -0.021 0.000 1.192 248 L HN 0.490 8.720 8.230 0.000 0.000 0.425 249 T N 6.484 120.968 114.554 -0.116 0.000 2.795 249 T HA 0.580 4.932 4.350 0.004 0.000 0.282 249 T C -0.307 174.212 174.700 -0.301 0.000 0.980 249 T CA -0.249 61.727 62.100 -0.206 0.000 1.012 249 T CB 0.789 69.571 68.868 -0.144 0.000 0.936 249 T HN 0.319 8.559 8.240 0.000 0.000 0.457 250 I N 4.062 124.292 120.570 -0.567 0.000 2.436 250 I HA 0.363 4.535 4.170 0.004 0.000 0.289 250 I C -0.336 175.420 176.117 -0.603 0.000 1.010 250 I CA -0.913 60.006 61.300 -0.636 0.000 1.098 250 I CB 1.772 39.183 38.000 -0.982 0.000 1.266 250 I HN 0.543 8.753 8.210 0.000 0.000 0.434 251 N N 7.557 126.058 118.700 -0.331 0.000 2.446 251 N HA 0.465 5.207 4.740 0.004 0.000 0.265 251 N C -0.576 174.829 175.510 -0.175 0.000 0.975 251 N CA -0.479 52.441 53.050 -0.217 0.000 0.928 251 N CB 2.353 40.757 38.487 -0.138 0.000 1.160 251 N HN 0.432 8.812 8.380 0.000 0.000 0.495 252 L N 0.862 121.995 121.223 -0.151 0.000 2.350 252 L HA 0.456 4.798 4.340 0.004 0.000 0.275 252 L C 1.571 178.349 176.870 -0.153 0.000 1.099 252 L CA -0.711 54.022 54.840 -0.178 0.000 0.808 252 L CB 0.719 42.616 42.059 -0.271 0.000 1.149 252 L HN 0.424 8.654 8.230 0.000 0.000 0.442 253 G N 0.831 109.535 108.800 -0.160 0.000 2.621 253 G HA2 0.122 4.084 3.960 0.004 0.000 0.271 253 G HA3 0.122 4.084 3.960 0.004 0.000 0.271 253 G C 0.446 175.295 174.900 -0.086 0.000 1.236 253 G CA -0.405 44.637 45.100 -0.097 0.000 0.958 253 G HN 0.829 9.119 8.290 0.000 0.000 0.512 254 E N -0.229 119.980 120.200 0.016 0.000 2.409 254 E HA -0.100 4.252 4.350 0.004 0.000 0.198 254 E C 1.140 177.858 176.600 0.198 0.000 1.024 254 E CA 0.977 57.456 56.400 0.131 0.000 0.861 254 E CB 0.189 29.951 29.700 0.102 0.000 0.788 254 E HN 0.620 8.980 8.360 0.000 0.000 0.521 255 D N -0.888 119.549 120.400 0.062 0.000 2.339 255 D HA 0.038 4.680 4.640 0.004 0.000 0.217 255 D C 1.349 177.613 176.300 -0.059 0.000 1.050 255 D CA 0.620 54.664 54.000 0.073 0.000 0.856 255 D CB 0.175 40.987 40.800 0.020 0.000 0.922 255 D HN 0.142 8.512 8.370 0.000 0.000 0.518 256 G N 0.268 108.764 108.800 -0.506 0.000 2.179 256 G HA2 -0.323 3.639 3.960 0.004 0.000 0.260 256 G HA3 -0.323 3.639 3.960 0.004 0.000 0.260 256 G C 0.220 174.847 174.900 -0.455 0.000 0.977 256 G CA 0.318 44.811 45.100 -1.011 0.000 0.641 256 G HN 0.463 8.753 8.290 0.000 0.000 0.533 257 K N 0.152 120.398 120.400 -0.256 0.000 2.154 257 K HA 0.525 4.847 4.320 0.004 0.000 0.264 257 K C 0.767 177.275 176.600 -0.154 0.000 1.008 257 K CA -0.728 55.462 56.287 -0.162 0.000 0.937 257 K CB 1.784 34.227 32.500 -0.096 0.000 1.002 257 K HN 0.013 8.263 8.250 0.000 0.000 0.469 258 V N 2.689 122.534 119.914 -0.115 0.000 2.509 258 V HA -0.095 4.028 4.120 0.004 0.000 0.297 258 V C 1.052 177.088 176.094 -0.096 0.000 1.014 258 V CA 0.680 62.915 62.300 -0.108 0.000 1.127 258 V CB 0.503 32.275 31.823 -0.086 0.000 0.925 258 V HN 1.005 9.195 8.190 0.000 0.000 0.480 259 A N 4.412 127.170 122.820 -0.103 0.000 2.014 259 A HA 0.416 4.738 4.320 0.004 0.000 0.210 259 A C 0.950 178.492 177.584 -0.071 0.000 1.188 259 A CA 0.847 52.837 52.037 -0.078 0.000 0.731 259 A CB 0.186 19.142 19.000 -0.074 0.000 0.858 259 A HN 1.070 9.220 8.150 0.000 0.000 0.464 260 S N -1.468 114.179 115.700 -0.089 0.000 2.615 260 S HA 0.559 5.031 4.470 0.004 0.000 0.268 260 S C -1.162 173.374 174.600 -0.108 0.000 1.146 260 S CA -0.344 57.807 58.200 -0.081 0.000 0.818 260 S CB 0.863 64.025 63.200 -0.064 0.000 1.111 260 S HN 0.876 9.186 8.310 0.000 0.000 0.465 261 Q N -0.262 119.483 119.800 -0.092 0.000 2.511 261 Q HA 0.830 5.172 4.340 0.004 0.000 0.289 261 Q C -1.426 174.528 176.000 -0.077 0.000 1.021 261 Q CA -0.955 54.784 55.803 -0.107 0.000 0.785 261 Q CB 1.912 30.590 28.738 -0.100 0.000 1.472 261 Q HN 1.325 9.595 8.270 0.000 0.000 0.411 262 S N 0.249 115.903 115.700 -0.077 0.000 2.570 262 S HA 0.801 5.273 4.470 0.004 0.000 0.270 262 S C -1.455 173.119 174.600 -0.043 0.000 1.149 262 S CA -1.014 57.156 58.200 -0.049 0.000 0.837 262 S CB 2.235 65.414 63.200 -0.036 0.000 1.124 262 S HN 0.731 9.041 8.310 0.000 0.000 0.465 263 R N 1.264 121.748 120.500 -0.028 0.000 2.534 263 R HA 0.665 5.007 4.340 0.004 0.000 0.301 263 R C 0.028 176.322 176.300 -0.010 0.000 0.961 263 R CA -0.120 55.967 56.100 -0.022 0.000 0.871 263 R CB 1.798 32.083 30.300 -0.025 0.000 1.170 263 R HN 1.025 9.295 8.270 0.000 0.000 0.446 264 S N 2.356 118.055 115.700 -0.001 0.000 2.624 264 S HA 0.382 4.854 4.470 0.004 0.000 0.263 264 S C -0.145 174.455 174.600 0.000 0.000 1.287 264 S CA -0.635 57.574 58.200 0.014 0.000 0.990 264 S CB 0.772 63.994 63.200 0.037 0.000 0.950 264 S HN 0.564 8.874 8.310 0.000 0.000 0.561 265 K N 0.440 120.846 120.400 0.010 0.000 2.187 265 K HA 0.075 4.397 4.320 0.004 0.000 0.247 265 K C 0.420 177.010 176.600 -0.016 0.000 1.019 265 K CA -0.267 56.019 56.287 -0.001 0.000 0.893 265 K CB 0.153 32.662 32.500 0.015 0.000 1.025 265 K HN 0.682 8.932 8.250 0.000 0.000 0.500 266 Q N 1.815 121.588 119.800 -0.044 0.000 2.274 266 Q HA -0.082 4.260 4.340 0.004 0.000 0.280 266 Q C 0.548 176.521 176.000 -0.045 0.000 1.047 266 Q CA 0.211 55.957 55.803 -0.095 0.000 0.907 266 Q CB 0.662 29.325 28.738 -0.126 0.000 1.171 266 Q HN 0.594 8.864 8.270 0.000 0.000 0.381 267 M N 5.079 124.646 119.600 -0.055 0.000 2.412 267 M HA 0.155 4.637 4.480 0.004 0.000 0.263 267 M C -0.599 175.705 176.300 0.007 0.000 1.122 267 M CA 0.730 56.073 55.300 0.072 0.000 1.179 267 M CB 0.539 33.229 32.600 0.150 0.000 1.335 267 M HN 0.612 8.902 8.290 0.000 0.000 0.465 268 F N -1.679 118.064 119.950 -0.345 0.000 2.613 268 F HA 0.609 5.138 4.527 0.004 0.000 0.314 268 F C -0.609 175.033 175.800 -0.264 0.000 1.075 268 F CA -1.346 56.334 58.000 -0.532 0.000 0.945 268 F CB 1.008 39.410 39.000 -0.997 0.000 1.310 268 F HN -0.247 8.053 8.300 0.000 0.000 0.467 269 S N 1.696 117.297 115.700 -0.166 0.000 2.422 269 S HA 0.277 4.749 4.470 0.004 0.000 0.283 269 S C 0.794 175.316 174.600 -0.130 0.000 1.163 269 S CA -0.556 57.535 58.200 -0.182 0.000 1.054 269 S CB 0.720 63.898 63.200 -0.037 0.000 0.967 269 S HN 0.644 8.954 8.310 0.000 0.000 0.499 270 V N 6.353 126.076 119.914 -0.317 0.000 2.332 270 V HA -0.134 3.988 4.120 0.004 0.000 0.248 270 V C 2.374 178.417 176.094 -0.084 0.000 1.055 270 V CA 1.621 63.829 62.300 -0.153 0.000 1.038 270 V CB -0.452 31.237 31.823 -0.224 0.000 0.651 270 V HN 0.711 8.901 8.190 0.000 0.000 0.450 271 K N -0.418 119.928 120.400 -0.090 0.000 2.137 271 K HA -0.029 4.293 4.320 0.004 0.000 0.202 271 K C 1.669 178.256 176.600 -0.022 0.000 1.052 271 K CA 1.088 57.335 56.287 -0.067 0.000 0.961 271 K CB -0.338 32.125 32.500 -0.062 0.000 0.741 271 K HN 0.461 8.711 8.250 0.000 0.000 0.452 272 D N -0.006 120.400 120.400 0.009 0.000 2.355 272 D HA -0.031 4.611 4.640 0.004 0.000 0.206 272 D C -0.143 176.258 176.300 0.170 0.000 1.010 272 D CA 0.646 54.678 54.000 0.053 0.000 0.875 272 D CB 0.413 41.226 40.800 0.022 0.000 0.966 272 D HN 0.037 8.407 8.370 0.000 0.000 0.512 273 D N 0.129 120.636 120.400 0.178 0.000 3.118 273 D HA 0.123 4.765 4.640 0.004 0.000 0.286 273 D C -2.730 173.637 176.300 0.111 0.000 1.255 273 D CA -1.534 52.633 54.000 0.278 0.000 0.748 273 D CB 1.103 42.114 40.800 0.351 0.000 1.332 273 D HN -0.116 8.255 8.370 0.000 0.000 0.575 274 P HA 0.143 4.563 4.420 0.000 0.000 0.268 274 P C 0.420 177.455 177.300 -0.442 0.000 1.204 274 P CA -0.211 62.685 63.100 -0.340 0.000 0.768 274 P CB 0.689 31.913 31.700 -0.793 0.000 0.842 275 I N -0.523 119.636 120.570 -0.685 0.000 2.577 275 I HA 0.414 4.586 4.170 0.004 0.000 0.300 275 I C 0.131 176.116 176.117 -0.220 0.000 0.990 275 I CA -1.058 59.976 61.300 -0.443 0.000 1.283 275 I CB 0.203 37.767 38.000 -0.727 0.000 1.411 275 I HN 0.009 8.219 8.210 0.000 0.000 0.515 276 F N 3.914 123.884 119.950 0.033 0.000 2.518 276 F HA 0.167 4.696 4.527 0.003 0.000 0.359 276 F C 1.594 177.454 175.800 0.101 0.000 1.118 276 F CA -0.221 57.840 58.000 0.102 0.000 1.287 276 F CB 0.605 39.681 39.000 0.126 0.000 1.132 276 F HN 0.535 8.835 8.300 0.000 0.000 0.587 277 I N 0.427 121.146 120.570 0.248 0.000 2.676 277 I HA 0.101 4.273 4.170 0.004 0.000 0.259 277 I C 1.115 177.457 176.117 0.376 0.000 1.194 277 I CA 0.271 61.700 61.300 0.215 0.000 1.473 277 I CB -0.666 37.396 38.000 0.104 0.000 1.096 277 I HN 0.445 8.655 8.210 0.000 0.000 0.443 278 A N 4.345 127.392 122.820 0.378 0.000 2.484 278 A HA 0.387 4.710 4.320 0.004 0.000 0.268 278 A C -2.226 175.482 177.584 0.208 0.000 1.114 278 A CA -1.047 51.173 52.037 0.306 0.000 0.780 278 A CB -0.733 18.438 19.000 0.285 0.000 1.061 278 A HN 0.269 8.419 8.150 0.000 0.000 0.505 279 P HA 0.379 4.799 4.420 0.000 0.000 0.282 279 P C -0.606 176.615 177.300 -0.132 0.000 1.249 279 P CA -0.300 62.638 63.100 -0.270 0.000 0.806 279 P CB 1.508 33.089 31.700 -0.197 0.000 0.984 280 A N 3.701 126.418 122.820 -0.170 0.000 2.478 280 A HA 0.374 4.696 4.320 0.004 0.000 0.327 280 A C -0.400 177.206 177.584 0.037 0.000 1.431 280 A CA -0.448 51.586 52.037 -0.005 0.000 1.014 280 A CB -0.781 18.249 19.000 0.050 0.000 1.143 280 A HN 0.513 8.663 8.150 0.000 0.000 0.532 281 L N 2.642 123.893 121.223 0.045 0.000 2.257 281 L HA 0.472 4.814 4.340 0.004 0.000 0.290 281 L C -0.279 176.648 176.870 0.095 0.000 1.044 281 L CA -0.072 54.811 54.840 0.071 0.000 0.810 281 L CB 0.908 43.017 42.059 0.083 0.000 1.193 281 L HN 0.654 8.884 8.230 0.000 0.000 0.425 282 D N 2.378 122.831 120.400 0.087 0.000 2.506 282 D HA 0.157 4.799 4.640 0.004 0.000 0.272 282 D C 0.745 177.079 176.300 0.058 0.000 1.214 282 D CA -0.319 53.711 54.000 0.050 0.000 1.067 282 D CB 1.471 42.282 40.800 0.018 0.000 1.117 282 D HN 0.562 8.932 8.370 0.000 0.000 0.578 283 K N -0.649 119.759 120.400 0.013 0.000 2.148 283 K HA -0.129 4.193 4.320 0.004 0.000 0.204 283 K C 0.443 177.047 176.600 0.008 0.000 1.050 283 K CA 1.627 57.939 56.287 0.042 0.000 0.942 283 K CB 0.204 32.711 32.500 0.012 0.000 0.724 283 K HN 0.392 8.642 8.250 0.000 0.000 0.446 284 D N -0.795 119.433 120.400 -0.286 0.000 2.539 284 D HA 0.035 4.677 4.640 0.004 0.000 0.232 284 D C -0.568 174.843 176.300 -1.482 0.000 1.256 284 D CA -0.326 53.229 54.000 -0.741 0.000 0.810 284 D CB 0.187 40.782 40.800 -0.342 0.000 1.090 284 D HN 0.262 8.632 8.370 0.000 0.000 0.519 285 K N -1.009 118.742 120.400 -1.081 0.000 2.579 285 K HA 0.791 5.113 4.320 0.004 0.000 0.284 285 K C -1.826 174.625 176.600 -0.248 0.000 0.990 285 K CA -1.166 54.670 56.287 -0.752 0.000 0.880 285 K CB 1.917 34.151 32.500 -0.443 0.000 1.488 285 K HN -0.037 8.213 8.250 0.000 0.000 0.425 286 A N 1.672 124.420 122.820 -0.120 0.000 2.393 286 A HA 0.586 4.909 4.320 0.004 0.000 0.306 286 A C -1.378 175.934 177.584 -0.454 0.000 1.050 286 A CA -0.794 51.133 52.037 -0.184 0.000 0.724 286 A CB 0.903 19.910 19.000 0.012 0.000 1.248 286 A HN 0.733 8.883 8.150 0.000 0.000 0.424 287 H N 0.683 119.600 119.070 -0.255 0.000 2.529 287 H HA 0.661 5.219 4.556 0.003 0.000 0.348 287 H C -1.561 173.472 175.328 -0.492 0.000 1.152 287 H CA -0.185 55.759 56.048 -0.172 0.000 1.202 287 H CB 1.622 31.377 29.762 -0.013 0.000 1.562 287 H HN 0.536 8.816 8.280 0.000 0.000 0.515 288 F N 0.567 120.639 119.950 0.204 0.000 2.565 288 F HA 0.298 4.827 4.527 0.003 0.000 0.313 288 F C 0.203 176.065 175.800 0.102 0.000 1.091 288 F CA -1.123 56.956 58.000 0.132 0.000 0.915 288 F CB 1.916 40.964 39.000 0.081 0.000 1.208 288 F HN 0.276 8.576 8.300 0.000 0.000 0.453 289 V N -0.154 119.910 119.914 0.250 0.000 2.713 289 V HA 0.888 5.010 4.120 0.004 0.000 0.307 289 V C -0.146 176.152 176.094 0.341 0.000 1.052 289 V CA -0.619 61.778 62.300 0.163 0.000 0.967 289 V CB 1.387 33.208 31.823 -0.005 0.000 1.019 289 V HN 0.855 9.045 8.190 0.000 0.000 0.459 290 S N 2.240 118.117 115.700 0.294 0.000 2.718 290 S HA 0.486 4.958 4.470 0.004 0.000 0.300 290 S C 0.563 175.374 174.600 0.352 0.000 1.117 290 S CA -0.573 57.812 58.200 0.308 0.000 1.002 290 S CB 1.025 64.400 63.200 0.292 0.000 1.092 290 S HN 0.718 9.028 8.310 0.000 0.000 0.542 291 Y N -0.393 119.798 120.300 -0.181 0.000 2.315 291 Y HA -0.158 4.394 4.550 0.004 0.000 0.288 291 Y C 1.017 176.669 175.900 -0.413 0.000 1.154 291 Y CA 1.323 59.178 58.100 -0.408 0.000 1.229 291 Y CB -0.222 37.709 38.460 -0.881 0.000 0.980 291 Y HN 0.718 8.998 8.280 0.000 0.000 0.540 292 Y N -1.202 119.224 120.300 0.209 0.000 2.555 292 Y HA 0.327 4.879 4.550 0.004 0.000 0.259 292 Y C 1.438 177.387 175.900 0.081 0.000 1.179 292 Y CA 0.060 58.231 58.100 0.118 0.000 1.230 292 Y CB 0.793 39.313 38.460 0.099 0.000 1.146 292 Y HN 0.081 8.361 8.280 0.000 0.000 0.526 293 G N 0.593 109.486 108.800 0.156 0.000 2.132 293 G HA2 -0.256 3.706 3.960 0.004 0.000 0.228 293 G HA3 -0.256 3.706 3.960 0.004 0.000 0.228 293 G C -0.280 174.625 174.900 0.009 0.000 1.000 293 G CA -0.337 44.798 45.100 0.058 0.000 0.693 293 G HN 0.283 8.573 8.290 0.000 0.000 0.515 294 N N -0.828 117.890 118.700 0.031 0.000 2.476 294 N HA 0.679 5.421 4.740 0.004 0.000 0.276 294 N C -0.064 175.276 175.510 -0.283 0.000 1.204 294 N CA -0.209 52.763 53.050 -0.131 0.000 0.974 294 N CB 1.939 40.387 38.487 -0.065 0.000 1.204 294 N HN 0.161 8.541 8.380 0.000 0.000 0.543 295 V N 1.460 120.984 119.914 -0.649 0.000 2.588 295 V HA 0.431 4.554 4.120 0.004 0.000 0.304 295 V C -1.152 174.587 176.094 -0.591 0.000 1.042 295 V CA -0.691 61.197 62.300 -0.687 0.000 0.877 295 V CB 0.867 31.792 31.823 -1.497 0.000 0.996 295 V HN 0.501 8.691 8.190 0.000 0.000 0.425 296 Y N 1.685 122.003 120.300 0.030 0.000 2.524 296 Y HA 0.752 5.304 4.550 0.003 0.000 0.344 296 Y C 0.512 176.598 175.900 0.309 0.000 1.012 296 Y CA -0.561 57.653 58.100 0.189 0.000 1.068 296 Y CB 2.455 41.032 38.460 0.195 0.000 1.249 296 Y HN 0.722 9.002 8.280 0.000 0.000 0.468 297 S N 0.730 116.697 115.700 0.446 0.000 2.569 297 S HA 0.940 5.412 4.470 0.004 0.000 0.280 297 S C -1.362 173.413 174.600 0.291 0.000 1.111 297 S CA -0.854 57.534 58.200 0.314 0.000 0.887 297 S CB 1.890 65.218 63.200 0.212 0.000 1.095 297 S HN 0.967 9.277 8.310 0.000 0.000 0.476 298 A N 1.603 124.570 122.820 0.244 0.000 2.340 298 A HA 0.622 4.944 4.320 0.004 0.000 0.297 298 A C -1.027 176.660 177.584 0.171 0.000 1.195 298 A CA -0.547 51.651 52.037 0.269 0.000 0.769 298 A CB 0.834 20.079 19.000 0.408 0.000 1.163 298 A HN 0.832 8.982 8.150 0.000 0.000 0.472 299 D N 2.933 123.389 120.400 0.093 0.000 2.274 299 D HA 0.432 5.074 4.640 0.004 0.000 0.239 299 D C -0.524 175.800 176.300 0.039 0.000 1.104 299 D CA -0.239 53.727 54.000 -0.055 0.000 0.840 299 D CB 0.588 41.364 40.800 -0.041 0.000 1.100 299 D HN 0.419 8.789 8.370 0.000 0.000 0.477 300 F N 1.545 121.509 119.950 0.023 0.000 2.855 300 F HA 0.218 4.747 4.527 0.004 0.000 0.317 300 F C 1.588 177.397 175.800 0.015 0.000 1.169 300 F CA -0.707 57.306 58.000 0.021 0.000 1.299 300 F CB -0.315 38.701 39.000 0.026 0.000 0.962 300 F HN 0.163 8.463 8.300 0.000 0.000 0.506 301 S N -0.532 115.124 115.700 -0.072 0.000 2.419 301 S HA 0.172 4.644 4.470 0.004 0.000 0.233 301 S C 1.191 175.811 174.600 0.034 0.000 1.016 301 S CA 0.535 58.711 58.200 -0.039 0.000 0.974 301 S CB -0.665 62.493 63.200 -0.070 0.000 0.786 301 S HN 0.540 8.850 8.310 0.000 0.000 0.492 302 G N 0.261 109.093 108.800 0.053 0.000 2.613 302 G HA2 0.451 4.413 3.960 0.004 0.000 0.303 302 G HA3 0.451 4.413 3.960 0.004 0.000 0.303 302 G C -0.296 174.649 174.900 0.076 0.000 1.312 302 G CA -0.352 44.781 45.100 0.055 0.000 1.036 302 G HN 0.076 8.366 8.290 0.000 0.000 0.513 303 D N -0.278 120.152 120.400 0.049 0.000 2.178 303 D HA -0.013 4.629 4.640 0.004 0.000 0.202 303 D C 0.470 176.792 176.300 0.036 0.000 0.974 303 D CA 0.942 54.964 54.000 0.036 0.000 0.841 303 D CB 0.295 41.104 40.800 0.016 0.000 0.953 303 D HN 0.221 8.591 8.370 0.000 0.000 0.478 304 E N 0.928 121.152 120.200 0.040 0.000 2.200 304 E HA 0.224 4.577 4.350 0.004 0.000 0.283 304 E C -0.207 176.435 176.600 0.069 0.000 1.015 304 E CA -0.505 55.919 56.400 0.040 0.000 0.819 304 E CB 2.107 31.825 29.700 0.029 0.000 1.081 304 E HN -0.159 8.201 8.360 0.000 0.000 0.397 305 V N 4.083 124.046 119.914 0.082 0.000 2.572 305 V HA 0.048 4.170 4.120 0.004 0.000 0.291 305 V C 0.604 176.758 176.094 0.100 0.000 1.039 305 V CA 0.029 62.404 62.300 0.125 0.000 1.055 305 V CB 0.301 32.206 31.823 0.137 0.000 0.969 305 V HN 0.415 8.605 8.190 0.000 0.000 0.482 306 K N 4.048 124.510 120.400 0.104 0.000 2.235 306 K HA 0.652 4.974 4.320 0.004 0.000 0.266 306 K C -0.649 176.020 176.600 0.115 0.000 0.980 306 K CA -0.586 55.754 56.287 0.088 0.000 0.849 306 K CB 2.027 34.566 32.500 0.066 0.000 1.098 306 K HN 0.616 8.866 8.250 0.000 0.000 0.445 307 V N -1.122 118.865 119.914 0.122 0.000 2.769 307 V HA 0.638 4.760 4.120 0.004 0.000 0.312 307 V C -0.602 175.598 176.094 0.176 0.000 1.058 307 V CA -0.554 61.845 62.300 0.165 0.000 0.952 307 V CB 1.829 33.749 31.823 0.162 0.000 1.019 307 V HN 0.745 8.935 8.190 0.000 0.000 0.445 308 D N 0.224 120.765 120.400 0.235 0.000 2.643 308 D HA 0.777 5.419 4.640 0.004 0.000 0.283 308 D C -0.229 176.252 176.300 0.302 0.000 1.242 308 D CA 0.960 55.098 54.000 0.232 0.000 0.863 308 D CB 2.102 43.012 40.800 0.184 0.000 1.382 308 D HN 1.573 9.943 8.370 0.000 0.000 0.444 309 G N 0.581 109.508 108.800 0.211 0.000 2.440 309 G HA2 0.169 4.131 3.960 0.004 0.000 0.684 309 G HA3 0.169 4.131 3.960 0.004 0.000 0.684 309 G C -2.963 171.942 174.900 0.008 0.000 1.309 309 G CA -0.672 44.431 45.100 0.004 0.000 0.931 309 G HN 0.446 8.736 8.290 0.000 0.000 0.612 310 P HA 0.547 4.967 4.420 0.000 0.000 0.284 310 P C -0.314 176.944 177.300 -0.070 0.000 1.258 310 P CA -0.547 62.244 63.100 -0.515 0.000 0.824 310 P CB 0.796 32.237 31.700 -0.432 0.000 1.038 311 W N 0.469 121.659 121.300 -0.184 0.000 2.639 311 W HA 0.587 5.249 4.660 0.004 0.000 0.347 311 W C -0.964 175.523 176.519 -0.053 0.000 1.067 311 W CA -1.164 56.133 57.345 -0.079 0.000 1.218 311 W CB 0.747 30.180 29.460 -0.046 0.000 1.393 311 W HN 0.264 8.444 8.180 0.000 0.000 0.557 312 S N 1.443 117.289 115.700 0.243 0.000 2.525 312 S HA 0.297 4.769 4.470 0.004 0.000 0.278 312 S C 1.008 175.727 174.600 0.198 0.000 1.234 312 S CA -0.670 57.597 58.200 0.113 0.000 1.058 312 S CB 0.846 64.127 63.200 0.135 0.000 0.983 312 S HN 0.530 8.840 8.310 0.000 0.000 0.495 313 L N 4.016 125.259 121.223 0.032 0.000 2.353 313 L HA 0.079 4.421 4.340 0.004 0.000 0.220 313 L C 0.072 177.132 176.870 0.317 0.000 1.133 313 L CA 0.731 55.672 54.840 0.169 0.000 0.798 313 L CB -0.384 41.729 42.059 0.089 0.000 0.922 313 L HN 0.484 8.714 8.230 0.000 0.000 0.445 314 L N 0.328 121.702 121.223 0.251 0.000 2.317 314 L HA 0.307 4.649 4.340 0.004 0.000 0.281 314 L C -0.160 176.804 176.870 0.157 0.000 1.024 314 L CA -0.847 54.147 54.840 0.256 0.000 0.810 314 L CB 1.268 43.468 42.059 0.235 0.000 1.240 314 L HN 0.105 8.335 8.230 0.000 0.000 0.427 315 N N -0.055 118.705 118.700 0.099 0.000 2.538 315 N HA 0.154 4.896 4.740 0.004 0.000 0.292 315 N C 0.214 175.767 175.510 0.072 0.000 1.262 315 N CA -0.633 52.449 53.050 0.054 0.000 0.976 315 N CB 0.513 38.994 38.487 -0.010 0.000 1.161 315 N HN 0.393 8.773 8.380 0.000 0.000 0.598 316 D N -0.656 119.775 120.400 0.052 0.000 2.144 316 D HA -0.170 4.472 4.640 0.004 0.000 0.199 316 D C 1.245 177.592 176.300 0.078 0.000 0.984 316 D CA 1.140 55.177 54.000 0.063 0.000 0.834 316 D CB -0.143 40.682 40.800 0.043 0.000 0.955 316 D HN 0.785 9.155 8.370 0.000 0.000 0.465 317 E N 0.456 120.693 120.200 0.061 0.000 2.077 317 E HA -0.178 4.174 4.350 0.004 0.000 0.193 317 E C 1.232 177.926 176.600 0.156 0.000 0.989 317 E CA 1.039 57.487 56.400 0.080 0.000 0.800 317 E CB 0.220 29.939 29.700 0.032 0.000 0.746 317 E HN 0.141 8.501 8.360 0.000 0.000 0.452 318 D N 0.558 121.050 120.400 0.153 0.000 2.117 318 D HA -0.150 4.492 4.640 0.004 0.000 0.197 318 D C 1.814 178.351 176.300 0.394 0.000 0.987 318 D CA 1.074 55.260 54.000 0.310 0.000 0.829 318 D CB -0.127 40.847 40.800 0.289 0.000 0.961 318 D HN 0.181 8.551 8.370 0.000 0.000 0.460 319 K N 0.716 121.263 120.400 0.245 0.000 2.097 319 K HA -0.035 4.287 4.320 0.004 0.000 0.206 319 K C 2.127 178.827 176.600 0.166 0.000 1.049 319 K CA 1.044 57.447 56.287 0.193 0.000 0.933 319 K CB -0.074 32.506 32.500 0.133 0.000 0.717 319 K HN 0.021 8.271 8.250 0.000 0.000 0.442 320 A N 1.590 124.504 122.820 0.158 0.000 2.019 320 A HA -0.160 4.162 4.320 0.004 0.000 0.219 320 A C 1.587 179.247 177.584 0.127 0.000 1.164 320 A CA 1.417 53.528 52.037 0.123 0.000 0.644 320 A CB -0.121 18.944 19.000 0.108 0.000 0.805 320 A HN 0.177 8.327 8.150 0.000 0.000 0.449 321 K N -1.030 119.486 120.400 0.194 0.000 2.397 321 K HA 0.141 4.463 4.320 0.004 0.000 0.202 321 K C -0.440 176.152 176.600 -0.014 0.000 1.022 321 K CA 0.171 56.527 56.287 0.114 0.000 1.141 321 K CB -0.020 32.607 32.500 0.212 0.000 0.857 321 K HN 0.604 8.854 8.250 0.000 0.000 0.514 322 N N 0.114 118.863 118.700 0.081 0.000 2.735 322 N HA -0.173 4.570 4.740 0.004 0.000 0.248 322 N C -1.184 174.306 175.510 -0.033 0.000 1.083 322 N CA 0.179 53.248 53.050 0.032 0.000 0.703 322 N CB -1.055 37.423 38.487 -0.015 0.000 1.005 322 N HN 0.269 8.649 8.380 0.000 0.000 0.550 323 W N 0.686 121.992 121.300 0.009 0.000 2.264 323 W HA 0.340 5.002 4.660 0.003 0.000 0.331 323 W C 0.957 177.346 176.519 -0.217 0.000 1.364 323 W CA -0.116 57.166 57.345 -0.105 0.000 1.253 323 W CB 0.366 29.838 29.460 0.020 0.000 1.215 323 W HN 0.028 8.208 8.180 0.000 0.000 0.561 324 V N 1.886 121.670 119.914 -0.216 0.000 3.159 324 V HA 0.692 4.814 4.120 0.004 0.000 0.308 324 V C -2.825 173.025 176.094 -0.406 0.000 1.190 324 V CA -3.492 58.654 62.300 -0.256 0.000 1.037 324 V CB 1.826 33.526 31.823 -0.206 0.000 1.060 324 V HN 0.218 8.408 8.190 0.000 0.000 0.437 325 P HA 0.629 5.049 4.420 0.000 0.000 0.274 325 P C -0.200 177.061 177.300 -0.064 0.000 1.237 325 P CA 0.288 63.248 63.100 -0.234 0.000 0.793 325 P CB 1.051 32.568 31.700 -0.305 0.000 0.977 326 G N -0.689 108.111 108.800 0.001 0.000 2.732 326 G HA2 0.640 4.602 3.960 0.004 0.000 0.296 326 G HA3 0.640 4.602 3.960 0.004 0.000 0.296 326 G C -0.893 174.025 174.900 0.030 0.000 1.448 326 G CA -0.166 45.019 45.100 0.141 0.000 0.911 326 G HN 0.795 9.085 8.290 0.000 0.000 0.528 327 G N -0.465 108.322 108.800 -0.022 0.000 2.302 327 G HA2 0.353 4.315 3.960 0.004 0.000 0.264 327 G HA3 0.353 4.315 3.960 0.004 0.000 0.264 327 G C -0.557 174.277 174.900 -0.111 0.000 1.335 327 G CA 0.123 45.226 45.100 0.005 0.000 0.982 327 G HN 0.718 9.008 8.290 0.000 0.000 0.473 328 Y N -0.011 120.387 120.300 0.164 0.000 3.052 328 Y HA 0.401 4.954 4.550 0.004 0.000 0.176 328 Y C 1.539 177.586 175.900 0.246 0.000 0.916 328 Y CA 0.173 58.367 58.100 0.157 0.000 1.720 328 Y CB 0.307 38.670 38.460 -0.161 0.000 1.299 328 Y HN 0.298 8.578 8.280 0.000 0.000 0.428 329 N N 2.970 121.862 118.700 0.320 0.000 2.968 329 N HA 0.130 4.872 4.740 0.004 0.000 0.271 329 N C 0.514 176.151 175.510 0.212 0.000 1.174 329 N CA 0.201 53.411 53.050 0.266 0.000 1.096 329 N CB 0.250 38.851 38.487 0.190 0.000 1.403 329 N HN 0.485 8.865 8.380 0.000 0.000 0.522 330 L N -0.721 120.589 121.223 0.145 0.000 2.607 330 L HA 0.297 4.639 4.340 0.004 0.000 0.228 330 L C 0.305 177.016 176.870 -0.265 0.000 1.123 330 L CA -0.026 54.837 54.840 0.039 0.000 0.890 330 L CB 0.213 42.258 42.059 -0.023 0.000 1.103 330 L HN -0.071 8.159 8.230 0.000 0.000 0.468 331 V N -2.511 117.311 119.914 -0.153 0.000 3.074 331 V HA 1.046 5.168 4.120 0.004 0.000 0.314 331 V C -0.099 175.954 176.094 -0.067 0.000 1.117 331 V CA 0.041 62.252 62.300 -0.147 0.000 1.014 331 V CB 1.239 33.009 31.823 -0.088 0.000 1.057 331 V HN 0.116 8.306 8.190 0.000 0.000 0.438 332 G N 0.690 109.489 108.800 -0.003 0.000 2.698 332 G HA2 0.659 4.621 3.960 0.004 0.000 0.293 332 G HA3 0.659 4.621 3.960 0.004 0.000 0.293 332 G C -2.334 172.670 174.900 0.174 0.000 1.437 332 G CA -0.748 44.391 45.100 0.065 0.000 0.852 332 G HN 1.135 9.425 8.290 0.000 0.000 0.499 333 L N 1.013 122.333 121.223 0.162 0.000 2.385 333 L HA 0.544 4.886 4.340 0.004 0.000 0.273 333 L C -0.430 176.572 176.870 0.220 0.000 0.990 333 L CA -0.862 54.096 54.840 0.196 0.000 0.821 333 L CB 1.891 44.032 42.059 0.138 0.000 1.279 333 L HN 0.715 8.945 8.230 0.000 0.000 0.412 334 H N 4.972 124.163 119.070 0.200 0.000 2.761 334 H HA 0.292 4.850 4.556 0.003 0.000 0.284 334 H C 0.436 175.812 175.328 0.081 0.000 1.105 334 H CA -0.126 56.003 56.048 0.134 0.000 1.352 334 H CB 0.936 30.830 29.762 0.221 0.000 1.423 334 H HN 0.739 9.019 8.280 0.000 0.000 0.464 335 R N 2.999 123.364 120.500 -0.226 0.000 2.092 335 R HA -0.086 4.256 4.340 0.004 0.000 0.231 335 R C 2.192 178.390 176.300 -0.169 0.000 1.119 335 R CA 1.246 57.263 56.100 -0.137 0.000 0.970 335 R CB 0.083 30.323 30.300 -0.100 0.000 0.864 335 R HN 0.585 8.855 8.270 0.000 0.000 0.440 336 A N 0.919 123.526 122.820 -0.355 0.000 1.972 336 A HA -0.156 4.166 4.320 0.004 0.000 0.219 336 A C 2.128 179.704 177.584 -0.014 0.000 1.169 336 A CA 1.912 53.846 52.037 -0.172 0.000 0.635 336 A CB -0.242 18.655 19.000 -0.173 0.000 0.810 336 A HN 0.426 8.576 8.150 0.000 0.000 0.446 337 S N -3.169 112.595 115.700 0.107 0.000 2.502 337 S HA 0.409 4.881 4.470 0.004 0.000 0.215 337 S C 1.461 176.115 174.600 0.090 0.000 1.009 337 S CA 1.117 59.418 58.200 0.169 0.000 0.908 337 S CB 0.069 63.448 63.200 0.299 0.000 0.801 337 S HN 1.879 10.189 8.310 0.000 0.000 0.505 338 G N 1.773 110.621 108.800 0.080 0.000 2.162 338 G HA2 -0.271 3.691 3.960 0.004 0.000 0.260 338 G HA3 -0.271 3.691 3.960 0.004 0.000 0.260 338 G C 0.065 174.970 174.900 0.009 0.000 0.976 338 G CA -0.009 45.112 45.100 0.034 0.000 0.655 338 G HN 0.574 8.864 8.290 0.000 0.000 0.533 339 R N -0.208 120.327 120.500 0.059 0.000 2.442 339 R HA 0.512 4.854 4.340 0.004 0.000 0.291 339 R C 0.503 176.732 176.300 -0.118 0.000 1.069 339 R CA -0.013 56.032 56.100 -0.092 0.000 1.022 339 R CB 0.728 30.937 30.300 -0.153 0.000 0.976 339 R HN 0.422 8.692 8.270 0.000 0.000 0.443 340 M N 3.430 122.883 119.600 -0.246 0.000 2.268 340 M HA 0.314 4.796 4.480 0.004 0.000 0.344 340 M C -1.567 174.501 176.300 -0.385 0.000 1.106 340 M CA -0.627 54.569 55.300 -0.173 0.000 1.010 340 M CB 1.020 33.553 32.600 -0.110 0.000 1.649 340 M HN 0.436 8.726 8.290 0.000 0.000 0.443 341 Y N 3.533 123.784 120.300 -0.081 0.000 2.341 341 Y HA 0.661 5.214 4.550 0.004 0.000 0.337 341 Y C -0.570 175.196 175.900 -0.223 0.000 1.014 341 Y CA -0.705 57.312 58.100 -0.138 0.000 1.111 341 Y CB 1.692 40.042 38.460 -0.183 0.000 1.194 341 Y HN 0.386 8.666 8.280 0.000 0.000 0.462 342 V N 4.033 123.874 119.914 -0.123 0.000 2.733 342 V HA 0.331 4.453 4.120 0.004 0.000 0.306 342 V C -0.754 175.223 176.094 -0.195 0.000 1.084 342 V CA -1.515 60.652 62.300 -0.222 0.000 0.905 342 V CB 1.649 33.369 31.823 -0.172 0.000 1.010 342 V HN 0.580 8.770 8.190 0.000 0.000 0.424 343 F N 5.096 124.982 119.950 -0.106 0.000 2.456 343 F HA 0.545 5.075 4.527 0.003 0.000 0.358 343 F C 0.515 176.208 175.800 -0.177 0.000 1.095 343 F CA 0.007 57.950 58.000 -0.095 0.000 1.216 343 F CB 0.845 39.816 39.000 -0.048 0.000 1.125 343 F HN 0.239 8.539 8.300 0.000 0.000 0.549 344 M N 4.258 123.878 119.600 0.033 0.000 2.572 344 M HA 0.381 4.863 4.480 0.004 0.000 0.299 344 M C -0.597 175.833 176.300 0.216 0.000 1.205 344 M CA -0.654 54.567 55.300 -0.133 0.000 0.876 344 M CB 2.489 34.616 32.600 -0.788 0.000 1.728 344 M HN 0.634 8.924 8.290 0.000 0.000 0.458 345 H N -0.444 118.690 119.070 0.107 0.000 3.012 345 H HA 0.672 5.230 4.556 0.004 0.000 0.367 345 H C -3.296 171.714 175.328 -0.531 0.000 1.211 345 H CA -1.770 54.218 56.048 -0.100 0.000 1.139 345 H CB 1.815 31.564 29.762 -0.021 0.000 1.838 345 H HN 0.280 8.560 8.280 0.000 0.000 0.550 346 P HA 0.071 4.491 4.420 0.000 0.000 0.279 346 P C -0.476 176.585 177.300 -0.399 0.000 1.276 346 P CA -0.077 62.331 63.100 -1.153 0.000 0.801 346 P CB 0.797 31.761 31.700 -1.227 0.000 1.127 347 D N -2.574 117.644 120.400 -0.302 0.000 2.772 347 D HA -0.128 4.515 4.640 0.004 0.000 0.233 347 D C 0.732 176.999 176.300 -0.055 0.000 1.143 347 D CA 1.281 55.214 54.000 -0.111 0.000 0.700 347 D CB -2.011 38.755 40.800 -0.056 0.000 1.076 347 D HN 0.648 9.018 8.370 0.000 0.000 0.430 348 G N 0.492 109.232 108.800 -0.100 0.000 2.432 348 G HA2 0.356 4.318 3.960 0.004 0.000 0.239 348 G HA3 0.356 4.318 3.960 0.004 0.000 0.239 348 G C 0.479 175.366 174.900 -0.022 0.000 1.291 348 G CA 0.272 45.327 45.100 -0.075 0.000 0.863 348 G HN 0.442 8.732 8.290 0.000 0.000 0.560 349 K N 0.174 120.556 120.400 -0.030 0.000 2.680 349 K HA 0.450 4.772 4.320 0.004 0.000 0.295 349 K C -1.026 175.581 176.600 0.012 0.000 1.052 349 K CA -1.081 55.217 56.287 0.018 0.000 0.863 349 K CB 0.909 33.414 32.500 0.007 0.000 1.549 349 K HN 0.332 8.582 8.250 0.000 0.000 0.391 350 E N 0.194 120.432 120.200 0.063 0.000 2.558 350 E HA 0.221 4.573 4.350 0.004 0.000 0.255 350 E C 0.793 177.413 176.600 0.033 0.000 0.968 350 E CA 2.292 58.739 56.400 0.079 0.000 0.939 350 E CB -0.141 29.613 29.700 0.090 0.000 0.921 350 E HN 0.847 9.207 8.360 0.000 0.000 0.477 351 G N 2.978 111.823 108.800 0.075 0.000 2.179 351 G HA2 -0.276 3.686 3.960 0.004 0.000 0.220 351 G HA3 -0.276 3.686 3.960 0.004 0.000 0.220 351 G C 0.732 175.473 174.900 -0.265 0.000 0.990 351 G CA 0.550 45.648 45.100 -0.002 0.000 0.646 351 G HN 0.908 9.198 8.290 0.000 0.000 0.517 352 T N -1.510 112.804 114.554 -0.400 0.000 3.134 352 T HA 0.240 4.592 4.350 0.004 0.000 0.260 352 T C 1.763 176.132 174.700 -0.552 0.000 1.027 352 T CA 0.866 62.342 62.100 -1.039 0.000 0.913 352 T CB -0.503 67.652 68.868 -1.188 0.000 1.046 352 T HN 0.725 8.965 8.240 0.000 0.000 0.553 353 H N 1.176 120.029 119.070 -0.361 0.000 2.546 353 H HA 0.218 4.776 4.556 0.004 0.000 0.277 353 H C 0.893 176.170 175.328 -0.086 0.000 1.004 353 H CA 0.450 56.330 56.048 -0.280 0.000 1.231 353 H CB -0.113 29.076 29.762 -0.956 0.000 1.382 353 H HN 0.410 8.690 8.280 0.000 0.000 0.580 354 K N 0.330 120.519 120.400 -0.352 0.000 2.455 354 K HA 0.158 4.480 4.320 0.004 0.000 0.206 354 K C -0.617 175.973 176.600 -0.018 0.000 1.027 354 K CA -0.534 55.587 56.287 -0.277 0.000 1.113 354 K CB 0.495 32.717 32.500 -0.463 0.000 0.850 354 K HN -0.065 8.185 8.250 0.000 0.000 0.503 355 F N 2.405 122.154 119.950 -0.336 0.000 2.506 355 F HA 0.146 4.675 4.527 0.004 0.000 0.351 355 F C -1.760 173.859 175.800 -0.301 0.000 1.136 355 F CA -2.937 54.816 58.000 -0.413 0.000 1.298 355 F CB -0.112 38.384 39.000 -0.840 0.000 1.145 355 F HN -0.087 8.213 8.300 0.000 0.000 0.593 356 P HA 0.119 4.539 4.420 0.000 0.000 0.268 356 P C -1.077 176.165 177.300 -0.097 0.000 1.208 356 P CA -0.269 62.742 63.100 -0.148 0.000 0.777 356 P CB 0.412 32.005 31.700 -0.178 0.000 0.875 357 A N 2.473 125.194 122.820 -0.166 0.000 2.492 357 A HA 0.380 4.702 4.320 0.004 0.000 0.254 357 A C 1.468 179.091 177.584 0.065 0.000 1.091 357 A CA 0.419 52.443 52.037 -0.022 0.000 0.768 357 A CB -0.418 18.488 19.000 -0.155 0.000 1.028 357 A HN 0.591 8.741 8.150 0.000 0.000 0.498 358 A N 2.646 125.580 122.820 0.191 0.000 1.930 358 A HA 0.180 4.502 4.320 0.004 0.000 0.215 358 A C 0.828 178.603 177.584 0.318 0.000 1.176 358 A CA 1.156 53.336 52.037 0.238 0.000 0.632 358 A CB -0.020 19.143 19.000 0.271 0.000 0.819 358 A HN 0.834 8.984 8.150 0.000 0.000 0.445 359 E N -1.596 118.832 120.200 0.379 0.000 2.408 359 E HA 0.582 4.934 4.350 0.004 0.000 0.275 359 E C -1.627 175.168 176.600 0.325 0.000 0.935 359 E CA -0.701 55.916 56.400 0.361 0.000 0.775 359 E CB 1.990 31.968 29.700 0.463 0.000 1.277 359 E HN 0.249 8.609 8.360 0.000 0.000 0.455 360 I N 1.619 122.384 120.570 0.324 0.000 2.339 360 I HA 0.303 4.475 4.170 0.004 0.000 0.290 360 I C -0.842 175.498 176.117 0.371 0.000 0.994 360 I CA -0.659 60.813 61.300 0.286 0.000 1.191 360 I CB 0.621 38.729 38.000 0.180 0.000 1.343 360 I HN 0.246 8.456 8.210 0.000 0.000 0.458 361 W N 5.624 126.899 121.300 -0.042 0.000 2.438 361 W HA 0.518 5.180 4.660 0.004 0.000 0.324 361 W C -0.525 175.885 176.519 -0.181 0.000 1.119 361 W CA -0.984 56.289 57.345 -0.120 0.000 1.221 361 W CB 1.132 30.507 29.460 -0.141 0.000 1.253 361 W HN -0.001 8.179 8.180 0.000 0.000 0.555 362 V N 5.959 125.851 119.914 -0.037 0.000 2.334 362 V HA 0.366 4.488 4.120 0.004 0.000 0.281 362 V C 0.005 175.970 176.094 -0.215 0.000 1.016 362 V CA -0.870 61.251 62.300 -0.299 0.000 0.832 362 V CB 0.724 32.366 31.823 -0.302 0.000 0.999 362 V HN 0.329 8.519 8.190 0.000 0.000 0.439 363 M N 3.346 122.821 119.600 -0.209 0.000 2.336 363 M HA 0.455 4.937 4.480 0.004 0.000 0.342 363 M C -0.416 175.818 176.300 -0.109 0.000 1.128 363 M CA -0.698 54.562 55.300 -0.066 0.000 1.016 363 M CB 1.505 34.166 32.600 0.102 0.000 1.665 363 M HN 0.532 8.822 8.290 0.000 0.000 0.445 364 D N 2.403 122.745 120.400 -0.098 0.000 2.339 364 D HA 0.129 4.771 4.640 0.004 0.000 0.241 364 D C 0.978 177.189 176.300 -0.147 0.000 1.183 364 D CA 0.086 54.014 54.000 -0.119 0.000 0.859 364 D CB 1.129 41.855 40.800 -0.124 0.000 1.067 364 D HN 0.757 9.127 8.370 0.000 0.000 0.484 365 T N 1.203 115.680 114.554 -0.129 0.000 3.072 365 T HA -0.054 4.298 4.350 0.004 0.000 0.266 365 T C 1.470 176.036 174.700 -0.225 0.000 1.127 365 T CA 0.749 62.752 62.100 -0.161 0.000 1.107 365 T CB 0.187 68.921 68.868 -0.222 0.000 0.910 365 T HN 0.308 8.548 8.240 0.000 0.000 0.513 366 K N 1.273 121.567 120.400 -0.178 0.000 2.067 366 K HA 0.006 4.328 4.320 0.004 0.000 0.203 366 K C 2.696 179.157 176.600 -0.231 0.000 1.048 366 K CA 1.622 57.811 56.287 -0.163 0.000 0.954 366 K CB -0.242 32.197 32.500 -0.102 0.000 0.737 366 K HN 0.556 8.806 8.250 0.000 0.000 0.444 367 T N -1.296 113.114 114.554 -0.239 0.000 3.081 367 T HA 0.103 4.455 4.350 0.004 0.000 0.255 367 T C 0.325 174.798 174.700 -0.379 0.000 1.113 367 T CA -0.053 61.899 62.100 -0.247 0.000 1.082 367 T CB -0.153 68.609 68.868 -0.176 0.000 0.939 367 T HN 0.121 8.361 8.240 0.000 0.000 0.506 368 K N 0.982 121.028 120.400 -0.591 0.000 3.125 368 K HA -0.127 4.195 4.320 0.004 0.000 0.268 368 K C -0.686 175.634 176.600 -0.467 0.000 1.078 368 K CA 0.414 56.041 56.287 -1.100 0.000 0.775 368 K CB -1.177 30.453 32.500 -1.451 0.000 1.253 368 K HN 0.493 8.743 8.250 0.000 0.000 0.486 369 Q N 0.252 119.917 119.800 -0.226 0.000 2.389 369 Q HA 0.326 4.668 4.340 0.004 0.000 0.277 369 Q C -0.533 175.433 176.000 -0.057 0.000 1.082 369 Q CA -0.874 54.877 55.803 -0.087 0.000 0.810 369 Q CB 2.118 30.787 28.738 -0.116 0.000 1.374 369 Q HN 0.253 8.523 8.270 0.000 0.000 0.422 370 R N 0.656 121.115 120.500 -0.068 0.000 2.543 370 R HA 0.200 4.542 4.340 0.004 0.000 0.277 370 R C 0.900 177.097 176.300 -0.170 0.000 1.074 370 R CA 0.219 56.236 56.100 -0.139 0.000 1.076 370 R CB 0.519 30.641 30.300 -0.297 0.000 0.993 370 R HN 0.555 8.825 8.270 0.000 0.000 0.459 371 V N 0.304 120.117 119.914 -0.169 0.000 3.455 371 V HA 0.517 4.639 4.120 0.004 0.000 0.250 371 V C 0.285 176.282 176.094 -0.163 0.000 1.230 371 V CA 0.659 62.867 62.300 -0.153 0.000 1.105 371 V CB 0.189 31.936 31.823 -0.125 0.000 0.850 371 V HN 0.705 8.895 8.190 0.000 0.000 0.461 372 A N 1.216 123.925 122.820 -0.186 0.000 2.609 372 A HA 0.912 5.234 4.320 0.004 0.000 0.291 372 A C -0.808 176.651 177.584 -0.207 0.000 1.096 372 A CA -0.837 51.098 52.037 -0.169 0.000 0.684 372 A CB 1.584 20.526 19.000 -0.097 0.000 1.282 372 A HN 0.661 8.811 8.150 0.000 0.000 0.412 373 R N 0.513 120.906 120.500 -0.179 0.000 2.584 373 R HA 0.777 5.119 4.340 0.004 0.000 0.276 373 R C -1.313 174.984 176.300 -0.005 0.000 1.046 373 R CA -0.501 55.522 56.100 -0.129 0.000 0.906 373 R CB 1.122 31.195 30.300 -0.380 0.000 1.215 373 R HN 1.169 9.439 8.270 0.000 0.000 0.449 374 I N -1.888 118.739 120.570 0.094 0.000 3.074 374 I HA 0.645 4.818 4.170 0.004 0.000 0.310 374 I C -2.799 173.420 176.117 0.170 0.000 1.153 374 I CA -3.356 58.012 61.300 0.114 0.000 0.993 374 I CB 2.588 40.652 38.000 0.107 0.000 1.237 374 I HN 0.333 8.543 8.210 0.000 0.000 0.443 375 P HA 0.132 4.552 4.420 0.000 0.000 0.266 375 P C 0.560 177.982 177.300 0.203 0.000 1.195 375 P CA 0.115 63.325 63.100 0.185 0.000 0.768 375 P CB 0.798 32.590 31.700 0.154 0.000 0.838 376 G N 2.757 111.673 108.800 0.194 0.000 2.777 376 G HA2 -0.092 3.870 3.960 0.004 0.000 0.211 376 G HA3 -0.092 3.870 3.960 0.004 0.000 0.211 376 G C 0.377 175.338 174.900 0.100 0.000 1.149 376 G CA -0.256 44.947 45.100 0.171 0.000 0.785 376 G HN 0.523 8.813 8.290 0.000 0.000 0.536 377 R N 0.100 120.655 120.500 0.093 0.000 3.516 377 R HA -0.162 4.180 4.340 0.004 0.000 0.271 377 R C -0.129 176.158 176.300 -0.022 0.000 1.098 377 R CA 0.538 56.668 56.100 0.050 0.000 0.732 377 R CB -1.938 28.414 30.300 0.087 0.000 1.152 377 R HN 0.320 8.590 8.270 0.000 0.000 0.455 378 D N -2.678 117.690 120.400 -0.054 0.000 2.882 378 D HA -0.205 4.437 4.640 0.004 0.000 0.229 378 D C 0.343 176.521 176.300 -0.203 0.000 1.167 378 D CA 1.712 55.642 54.000 -0.117 0.000 0.759 378 D CB -1.025 39.716 40.800 -0.098 0.000 1.088 378 D HN 0.694 9.064 8.370 0.000 0.000 0.425 379 A N -0.433 122.198 122.820 -0.314 0.000 2.386 379 A HA 0.520 4.843 4.320 0.004 0.000 0.248 379 A C 1.386 178.506 177.584 -0.774 0.000 1.082 379 A CA -0.063 51.667 52.037 -0.512 0.000 0.789 379 A CB 0.515 19.165 19.000 -0.582 0.000 1.025 379 A HN 0.257 8.407 8.150 0.000 0.000 0.490 380 L N 0.298 121.236 121.223 -0.475 0.000 2.653 380 L HA 0.203 4.546 4.340 0.004 0.000 0.230 380 L C 0.506 177.461 176.870 0.141 0.000 1.055 380 L CA 0.413 55.145 54.840 -0.180 0.000 0.880 380 L CB 0.429 42.507 42.059 0.032 0.000 1.195 380 L HN 0.608 8.838 8.230 0.000 0.000 0.492 381 S N 0.257 116.091 115.700 0.223 0.000 2.569 381 S HA 0.799 5.271 4.470 0.004 0.000 0.280 381 S C -0.666 174.201 174.600 0.444 0.000 1.111 381 S CA -0.638 57.792 58.200 0.383 0.000 0.887 381 S CB 2.517 65.808 63.200 0.152 0.000 1.095 381 S HN 0.167 8.477 8.310 0.000 0.000 0.476 382 M N 0.027 119.802 119.600 0.291 0.000 2.716 382 M HA 0.867 5.349 4.480 0.004 0.000 0.278 382 M C -0.962 175.389 176.300 0.085 0.000 1.281 382 M CA -0.550 54.845 55.300 0.159 0.000 0.814 382 M CB 2.058 34.645 32.600 -0.021 0.000 1.719 382 M HN 0.518 8.808 8.290 0.000 0.000 0.457 383 T N 0.484 115.083 114.554 0.075 0.000 2.840 383 T HA 0.682 5.035 4.350 0.004 0.000 0.317 383 T C -1.996 172.811 174.700 0.179 0.000 1.401 383 T CA -0.652 61.517 62.100 0.115 0.000 1.028 383 T CB 1.682 70.630 68.868 0.132 0.000 1.317 383 T HN 0.623 8.863 8.240 0.000 0.000 0.495 384 I N 2.870 123.543 120.570 0.172 0.000 2.509 384 I HA 0.436 4.608 4.170 0.004 0.000 0.293 384 I C -0.390 175.729 176.117 0.003 0.000 1.020 384 I CA -0.717 60.638 61.300 0.092 0.000 1.088 384 I CB 1.719 39.724 38.000 0.008 0.000 1.267 384 I HN 0.772 8.982 8.210 0.000 0.000 0.430 385 D N 4.264 124.463 120.400 -0.334 0.000 2.349 385 D HA 0.239 4.882 4.640 0.004 0.000 0.232 385 D C 0.881 177.008 176.300 -0.288 0.000 1.071 385 D CA -0.315 53.310 54.000 -0.625 0.000 0.832 385 D CB 1.376 41.280 40.800 -1.494 0.000 1.086 385 D HN 0.274 8.644 8.370 0.000 0.000 0.504 386 Q N 2.183 121.877 119.800 -0.177 0.000 2.046 386 Q HA -0.156 4.186 4.340 0.004 0.000 0.200 386 Q C 1.448 177.392 176.000 -0.094 0.000 0.975 386 Q CA 1.473 57.206 55.803 -0.116 0.000 0.836 386 Q CB -0.109 28.561 28.738 -0.115 0.000 0.896 386 Q HN 0.710 8.980 8.270 0.000 0.000 0.428 387 Q N 0.010 119.745 119.800 -0.107 0.000 2.245 387 Q HA -0.028 4.315 4.340 0.004 0.000 0.201 387 Q C 1.474 177.447 176.000 -0.046 0.000 0.955 387 Q CA 0.658 56.423 55.803 -0.062 0.000 0.870 387 Q CB 0.175 28.884 28.738 -0.048 0.000 0.945 387 Q HN 0.082 8.352 8.270 0.000 0.000 0.461 388 R N 0.528 120.973 120.500 -0.091 0.000 2.334 388 R HA 0.104 4.447 4.340 0.004 0.000 0.216 388 R C -0.455 175.819 176.300 -0.044 0.000 0.905 388 R CA -0.030 56.036 56.100 -0.057 0.000 1.064 388 R CB 0.248 30.510 30.300 -0.064 0.000 1.046 388 R HN 0.157 8.427 8.270 0.000 0.000 0.508 389 N N 0.833 119.518 118.700 -0.025 0.000 2.708 389 N HA -0.199 4.544 4.740 0.004 0.000 0.255 389 N C -1.159 174.323 175.510 -0.047 0.000 1.046 389 N CA 0.916 53.987 53.050 0.036 0.000 0.715 389 N CB -1.214 37.313 38.487 0.067 0.000 0.895 389 N HN 0.232 8.612 8.380 0.000 0.000 0.545 390 L N -0.197 120.957 121.223 -0.114 0.000 2.341 390 L HA 0.668 5.010 4.340 0.004 0.000 0.267 390 L C 0.288 177.139 176.870 -0.031 0.000 1.009 390 L CA -0.656 54.138 54.840 -0.077 0.000 0.819 390 L CB 2.239 44.216 42.059 -0.137 0.000 1.323 390 L HN 0.163 8.393 8.230 0.000 0.000 0.425 391 M N 3.203 122.830 119.600 0.045 0.000 2.326 391 M HA 0.562 5.044 4.480 0.004 0.000 0.306 391 M C -1.909 174.507 176.300 0.194 0.000 1.054 391 M CA -0.463 54.861 55.300 0.041 0.000 0.922 391 M CB 1.834 34.299 32.600 -0.225 0.000 1.632 391 M HN 0.467 8.757 8.290 0.000 0.000 0.436 392 L N 3.781 125.102 121.223 0.163 0.000 2.322 392 L HA 0.713 5.055 4.340 0.004 0.000 0.279 392 L C 0.166 177.132 176.870 0.161 0.000 1.036 392 L CA -0.693 54.208 54.840 0.102 0.000 0.807 392 L CB 1.874 43.866 42.059 -0.113 0.000 1.226 392 L HN 0.797 9.027 8.230 0.000 0.000 0.433 393 T N 0.497 115.190 114.554 0.232 0.000 2.930 393 T HA 0.779 5.131 4.350 0.004 0.000 0.290 393 T C -0.992 173.788 174.700 0.135 0.000 1.052 393 T CA -0.800 61.469 62.100 0.280 0.000 1.017 393 T CB 2.215 71.346 68.868 0.439 0.000 1.137 393 T HN 0.383 8.623 8.240 0.000 0.000 0.511 394 L N 1.969 123.246 121.223 0.091 0.000 2.505 394 L HA 0.571 4.913 4.340 0.004 0.000 0.266 394 L C -0.619 176.217 176.870 -0.056 0.000 0.954 394 L CA -0.345 54.496 54.840 0.001 0.000 0.852 394 L CB 2.078 44.135 42.059 -0.003 0.000 1.282 394 L HN 0.876 9.106 8.230 0.000 0.000 0.403 395 D N 2.037 122.391 120.400 -0.076 0.000 2.363 395 D HA 0.400 5.042 4.640 0.004 0.000 0.214 395 D C 1.111 177.350 176.300 -0.103 0.000 1.093 395 D CA 0.534 54.471 54.000 -0.106 0.000 0.837 395 D CB 0.752 41.495 40.800 -0.094 0.000 0.948 395 D HN 0.951 9.321 8.370 0.000 0.000 0.507 396 G N -0.820 107.920 108.800 -0.099 0.000 2.339 396 G HA2 -0.178 3.784 3.960 0.004 0.000 0.209 396 G HA3 -0.178 3.784 3.960 0.004 0.000 0.209 396 G C 1.078 175.933 174.900 -0.075 0.000 1.015 396 G CA 0.059 45.095 45.100 -0.107 0.000 0.635 396 G HN 0.768 9.058 8.290 0.000 0.000 0.499 397 G N -0.137 108.626 108.800 -0.062 0.000 2.599 397 G HA2 0.415 4.377 3.960 0.004 0.000 0.196 397 G HA3 0.415 4.377 3.960 0.004 0.000 0.196 397 G C 0.112 174.981 174.900 -0.052 0.000 1.148 397 G CA 0.730 45.805 45.100 -0.042 0.000 0.809 397 G HN 0.597 8.887 8.290 0.000 0.000 0.764 398 N N -0.388 118.272 118.700 -0.066 0.000 2.314 398 N HA 0.590 5.332 4.740 0.004 0.000 0.304 398 N C -1.341 174.118 175.510 -0.085 0.000 1.073 398 N CA -0.538 52.462 53.050 -0.083 0.000 0.822 398 N CB 3.271 41.717 38.487 -0.068 0.000 1.280 398 N HN -0.108 8.272 8.380 0.000 0.000 0.489 399 V N 1.961 121.804 119.914 -0.118 0.000 2.384 399 V HA 0.355 4.477 4.120 0.004 0.000 0.287 399 V C -0.546 175.497 176.094 -0.084 0.000 1.020 399 V CA -0.870 61.369 62.300 -0.101 0.000 0.850 399 V CB 1.010 32.739 31.823 -0.157 0.000 0.987 399 V HN 0.679 8.869 8.190 0.000 0.000 0.436 400 N N 3.396 122.076 118.700 -0.034 0.000 2.430 400 N HA 0.503 5.246 4.740 0.004 0.000 0.292 400 N C -0.840 174.623 175.510 -0.078 0.000 1.051 400 N CA -0.339 52.658 53.050 -0.088 0.000 0.917 400 N CB 2.509 40.970 38.487 -0.044 0.000 1.164 400 N HN 0.370 8.750 8.380 0.000 0.000 0.484 401 V N 3.124 122.935 119.914 -0.172 0.000 2.370 401 V HA 0.367 4.489 4.120 0.004 0.000 0.283 401 V C -0.906 175.087 176.094 -0.168 0.000 1.023 401 V CA -0.601 61.660 62.300 -0.065 0.000 0.857 401 V CB 0.027 31.871 31.823 0.035 0.000 0.985 401 V HN 0.502 8.692 8.190 0.000 0.000 0.443 402 Y N 1.693 122.009 120.300 0.026 0.000 2.429 402 Y HA 0.475 5.027 4.550 0.004 0.000 0.342 402 Y C 0.141 176.038 175.900 -0.005 0.000 1.004 402 Y CA -1.032 57.076 58.100 0.013 0.000 1.075 402 Y CB 1.605 40.063 38.460 -0.004 0.000 1.214 402 Y HN 0.632 8.912 8.280 0.000 0.000 0.455 403 D N 3.781 124.277 120.400 0.160 0.000 2.325 403 D HA 0.159 4.801 4.640 0.004 0.000 0.251 403 D C 0.134 176.466 176.300 0.054 0.000 1.196 403 D CA -0.174 53.876 54.000 0.083 0.000 0.866 403 D CB 0.617 41.458 40.800 0.069 0.000 1.101 403 D HN 0.599 8.969 8.370 0.000 0.000 0.476 404 I N 1.059 121.611 120.570 -0.029 0.000 3.654 404 I HA 0.191 4.363 4.170 0.004 0.000 0.337 404 I C 1.060 177.072 176.117 -0.174 0.000 1.568 404 I CA -0.490 60.749 61.300 -0.100 0.000 1.115 404 I CB 0.167 38.023 38.000 -0.239 0.000 1.300 404 I HN 0.185 8.395 8.210 0.000 0.000 0.471 405 S N -0.517 115.133 115.700 -0.085 0.000 2.474 405 S HA 0.071 4.543 4.470 0.004 0.000 0.235 405 S C 0.910 175.473 174.600 -0.063 0.000 0.997 405 S CA 0.420 58.580 58.200 -0.068 0.000 0.949 405 S CB -0.235 62.963 63.200 -0.003 0.000 0.766 405 S HN 0.581 8.891 8.310 0.000 0.000 0.517 406 Q N 0.271 120.043 119.800 -0.046 0.000 2.416 406 Q HA 0.457 4.799 4.340 0.004 0.000 0.279 406 Q C -2.303 173.682 176.000 -0.026 0.000 1.101 406 Q CA -2.365 53.422 55.803 -0.028 0.000 0.830 406 Q CB 0.868 29.602 28.738 -0.006 0.000 1.402 406 Q HN -0.027 8.243 8.270 0.000 0.000 0.445 407 P HA -0.152 4.268 4.420 0.000 0.000 0.216 407 P C -0.141 177.158 177.300 -0.002 0.000 1.150 407 P CA 1.240 64.324 63.100 -0.027 0.000 0.843 407 P CB 0.397 32.070 31.700 -0.046 0.000 0.787 408 E N 0.417 120.621 120.200 0.006 0.000 2.152 408 E HA 0.172 4.524 4.350 0.004 0.000 0.285 408 E C -2.299 174.338 176.600 0.061 0.000 1.043 408 E CA -2.777 53.640 56.400 0.027 0.000 0.839 408 E CB 0.442 30.154 29.700 0.020 0.000 1.069 408 E HN 0.037 8.397 8.360 0.000 0.000 0.399 409 P HA 0.033 4.453 4.420 0.000 0.000 0.268 409 P C -1.228 176.194 177.300 0.202 0.000 1.205 409 P CA -0.066 63.105 63.100 0.118 0.000 0.771 409 P CB 0.519 32.217 31.700 -0.003 0.000 0.858 410 K N 3.072 123.610 120.400 0.230 0.000 2.307 410 K HA 0.407 4.729 4.320 0.004 0.000 0.263 410 K C -1.250 175.459 176.600 0.182 0.000 0.973 410 K CA -0.897 55.500 56.287 0.184 0.000 0.846 410 K CB 0.300 32.858 32.500 0.096 0.000 1.100 410 K HN 0.220 8.470 8.250 0.000 0.000 0.438 411 L N 6.300 127.567 121.223 0.075 0.000 2.418 411 L HA 0.207 4.549 4.340 0.004 0.000 0.274 411 L C -0.003 176.780 176.870 -0.144 0.000 1.135 411 L CA 0.583 55.266 54.840 -0.262 0.000 0.870 411 L CB 0.179 42.081 42.059 -0.262 0.000 1.154 411 L HN 0.892 9.122 8.230 0.000 0.000 0.462 412 L N 4.889 126.017 121.223 -0.158 0.000 2.286 412 L HA 0.281 4.623 4.340 0.004 0.000 0.203 412 L C 0.758 177.589 176.870 -0.066 0.000 1.068 412 L CA 0.177 54.981 54.840 -0.059 0.000 0.811 412 L CB -0.251 41.810 42.059 0.003 0.000 0.989 412 L HN 0.773 9.003 8.230 0.000 0.000 0.467 413 R N -1.624 118.812 120.500 -0.107 0.000 2.741 413 R HA 0.432 4.774 4.340 0.004 0.000 0.276 413 R C -1.529 174.703 176.300 -0.114 0.000 1.028 413 R CA -0.723 55.327 56.100 -0.083 0.000 0.865 413 R CB 1.159 31.438 30.300 -0.036 0.000 1.268 413 R HN -0.322 7.948 8.270 0.000 0.000 0.475 414 T N 1.798 116.298 114.554 -0.090 0.000 2.812 414 T HA 0.478 4.830 4.350 0.004 0.000 0.282 414 T C -0.216 174.432 174.700 -0.086 0.000 0.990 414 T CA -0.632 61.412 62.100 -0.094 0.000 0.960 414 T CB 0.970 69.789 68.868 -0.081 0.000 0.948 414 T HN 0.379 8.619 8.240 0.000 0.000 0.438 415 I N 3.380 123.879 120.570 -0.118 0.000 2.287 415 I HA 0.232 4.404 4.170 0.004 0.000 0.290 415 I C 0.644 176.664 176.117 -0.161 0.000 1.069 415 I CA -0.472 60.730 61.300 -0.163 0.000 1.237 415 I CB 0.593 38.414 38.000 -0.298 0.000 1.418 415 I HN 0.511 8.721 8.210 0.000 0.000 0.481 416 E N 4.630 124.769 120.200 -0.102 0.000 2.313 416 E HA 0.324 4.676 4.350 0.004 0.000 0.276 416 E C 0.867 177.426 176.600 -0.067 0.000 1.031 416 E CA -0.092 56.263 56.400 -0.076 0.000 0.857 416 E CB 1.139 30.810 29.700 -0.047 0.000 1.040 416 E HN 0.867 9.227 8.360 0.000 0.000 0.408 417 G N 2.366 111.135 108.800 -0.052 0.000 2.221 417 G HA2 -0.338 3.624 3.960 0.004 0.000 0.265 417 G HA3 -0.338 3.624 3.960 0.004 0.000 0.265 417 G C 0.803 175.715 174.900 0.020 0.000 1.041 417 G CA 0.314 45.405 45.100 -0.015 0.000 0.807 417 G HN 0.635 8.925 8.290 0.000 0.000 0.502 418 A N -1.361 121.428 122.820 -0.051 0.000 2.067 418 A HA 0.668 4.990 4.320 0.004 0.000 0.219 418 A C 1.522 179.276 177.584 0.284 0.000 1.158 418 A CA 2.114 54.130 52.037 -0.035 0.000 0.661 418 A CB 0.034 18.826 19.000 -0.346 0.000 0.801 418 A HN 2.384 10.534 8.150 0.000 0.000 0.452 419 A N -1.799 121.124 122.820 0.172 0.000 2.610 419 A HA 0.604 4.926 4.320 0.004 0.000 0.291 419 A C 0.092 177.734 177.584 0.097 0.000 1.086 419 A CA -0.117 52.040 52.037 0.200 0.000 0.677 419 A CB 0.257 19.313 19.000 0.093 0.000 1.278 419 A HN 0.092 8.242 8.150 0.000 0.000 0.414 420 E N -0.147 120.106 120.200 0.089 0.000 2.140 420 E HA 0.305 4.657 4.350 0.004 0.000 0.191 420 E C 0.534 177.137 176.600 0.004 0.000 0.973 420 E CA 1.026 57.453 56.400 0.045 0.000 0.829 420 E CB 0.341 30.080 29.700 0.065 0.000 0.781 420 E HN 0.859 9.219 8.360 0.000 0.000 0.466 421 A N 1.248 124.060 122.820 -0.014 0.000 3.158 421 A HA 0.289 4.611 4.320 0.004 0.000 0.302 421 A C -0.780 176.745 177.584 -0.098 0.000 1.162 421 A CA -0.434 51.568 52.037 -0.058 0.000 0.824 421 A CB 1.008 19.996 19.000 -0.020 0.000 1.322 421 A HN -0.001 8.149 8.150 0.000 0.000 0.510 422 S N 0.953 116.588 115.700 -0.108 0.000 2.472 422 S HA 0.712 5.184 4.470 0.004 0.000 0.303 422 S C 0.202 174.696 174.600 -0.175 0.000 1.099 422 S CA -0.484 57.638 58.200 -0.130 0.000 1.077 422 S CB 0.705 63.855 63.200 -0.082 0.000 1.031 422 S HN 0.574 8.884 8.310 0.000 0.000 0.487 423 L N 3.803 124.892 121.223 -0.225 0.000 3.014 423 L HA 0.469 4.811 4.340 0.004 0.000 0.263 423 L C 0.265 177.041 176.870 -0.157 0.000 1.207 423 L CA -0.006 54.676 54.840 -0.262 0.000 1.017 423 L CB 0.302 42.058 42.059 -0.505 0.000 1.360 423 L HN 0.617 8.847 8.230 0.000 0.000 0.560 424 Q N 0.951 120.687 119.800 -0.106 0.000 2.281 424 Q HA 0.441 4.783 4.340 0.004 0.000 0.263 424 Q C -2.071 173.915 176.000 -0.023 0.000 0.989 424 Q CA -0.155 55.619 55.803 -0.048 0.000 0.852 424 Q CB 3.587 32.292 28.738 -0.054 0.000 1.337 424 Q HN -0.060 8.210 8.270 0.000 0.000 0.418 425 V N 3.691 123.603 119.914 -0.003 0.000 2.735 425 V HA 0.633 4.755 4.120 0.004 0.000 0.310 425 V C -1.627 174.465 176.094 -0.003 0.000 1.061 425 V CA -0.129 62.161 62.300 -0.016 0.000 0.913 425 V CB 2.341 34.124 31.823 -0.066 0.000 1.005 425 V HN 0.903 9.093 8.190 0.000 0.000 0.428 426 Q N 4.260 124.072 119.800 0.020 0.000 2.345 426 Q HA 0.499 4.841 4.340 0.004 0.000 0.275 426 Q C -1.661 174.404 176.000 0.108 0.000 1.063 426 Q CA -0.480 55.371 55.803 0.080 0.000 0.819 426 Q CB 3.013 31.818 28.738 0.112 0.000 1.356 426 Q HN 0.701 8.971 8.270 0.000 0.000 0.418 427 F N 0.904 120.942 119.950 0.147 0.000 2.418 427 F HA 0.102 4.631 4.527 0.004 0.000 0.341 427 F C 1.083 177.042 175.800 0.266 0.000 1.120 427 F CA -0.199 57.916 58.000 0.192 0.000 1.232 427 F CB 0.576 39.631 39.000 0.092 0.000 1.175 427 F HN 0.446 8.746 8.300 0.000 0.000 0.569 428 H N 3.554 122.941 119.070 0.528 0.000 3.034 428 H HA 0.069 4.627 4.556 0.003 0.000 0.324 428 H C -2.222 173.243 175.328 0.229 0.000 1.015 428 H CA -1.248 55.027 56.048 0.379 0.000 1.429 428 H CB 0.791 30.784 29.762 0.385 0.000 1.429 428 H HN 0.216 8.496 8.280 0.000 0.000 0.585 429 P HA -0.064 4.356 4.420 0.000 0.000 0.271 429 P C 0.528 177.956 177.300 0.213 0.000 1.216 429 P CA 0.136 63.323 63.100 0.146 0.000 0.771 429 P CB 0.778 32.497 31.700 0.031 0.000 0.864 430 V N -0.061 119.926 119.914 0.122 0.000 3.548 430 V HA 0.325 4.447 4.120 0.004 0.000 0.279 430 V C 1.577 177.701 176.094 0.051 0.000 1.446 430 V CA 1.152 63.507 62.300 0.092 0.000 1.023 430 V CB -0.271 31.594 31.823 0.070 0.000 0.820 430 V HN 0.514 8.704 8.190 0.000 0.000 0.438 431 G N 0.690 109.512 108.800 0.036 0.000 2.744 431 G HA2 0.413 4.375 3.960 0.004 0.000 0.211 431 G HA3 0.413 4.375 3.960 0.004 0.000 0.211 431 G C 1.053 175.967 174.900 0.023 0.000 1.143 431 G CA 0.727 45.839 45.100 0.020 0.000 0.788 431 G HN 1.529 9.819 8.290 0.000 0.000 0.534 432 G N -0.763 108.055 108.800 0.031 0.000 2.804 432 G HA2 0.137 4.099 3.960 0.004 0.000 0.230 432 G HA3 0.137 4.099 3.960 0.004 0.000 0.230 432 G C 0.142 175.055 174.900 0.021 0.000 1.386 432 G CA 0.311 45.427 45.100 0.026 0.000 0.875 432 G HN 1.309 9.599 8.290 0.000 0.000 0.557 433 T N 0.000 114.565 114.554 0.019 0.000 3.816 433 T HA 0.000 4.352 4.350 0.004 0.000 0.228 433 T CA 0.000 62.112 62.100 0.019 0.000 1.349 433 T CB 0.000 68.878 68.868 0.017 0.000 0.612 433 T HN 0.000 8.240 8.240 0.000 0.000 0.658