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 1w2n_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDTTVPTFSL AELQQGLHQD EFRRCLRDKG LFYLTDCGLT DTELKSAKDL DATA SEQUENCE VIDFFEHGSE AEKRAVTSPV PTMRRGFTGL ESXXXXXXXX XXXXXXYSMC DATA SEQUENCE YSMGTADNLF PSGDFERIWT QYFDRQYTAS RAVAREVLRA TGTEPDGGVE DATA SEQUENCE AFLDCEPLLR FRYFPQVPEX XXXXXXPLRM APHYDLSMVT LIQQTPCANG DATA SEQUENCE FVSLQAEVGG AFTDLPYRPD AVLVFCGAIA TLVTGGQVKA PRHHVAAPRR DATA SEQUENCE DQIAGSSRTS SVFFLRPNAD FTFSVPLARE CGFDVSLDGE TATFQDWI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.313 176.300 0.022 0.000 1.140 1 M CA 0.000 55.309 55.300 0.016 0.000 0.988 1 M CB 0.000 32.608 32.600 0.014 0.000 1.302 2 D N 3.171 123.587 120.400 0.027 0.000 2.374 2 D HA 0.257 4.897 4.640 -0.001 0.000 0.240 2 D C 0.493 176.819 176.300 0.044 0.000 1.229 2 D CA 0.770 54.790 54.000 0.034 0.000 0.895 2 D CB 0.786 41.607 40.800 0.036 0.000 1.046 2 D HN 0.424 8.794 8.370 -0.000 0.000 0.498 3 T N -0.273 114.308 114.554 0.045 0.000 3.228 3 T HA 0.164 4.513 4.350 -0.001 0.000 0.278 3 T C 0.655 175.393 174.700 0.063 0.000 1.014 3 T CA -0.491 61.644 62.100 0.058 0.000 0.904 3 T CB -0.187 68.716 68.868 0.058 0.000 1.110 3 T HN 0.285 8.525 8.240 -0.000 0.000 0.541 4 T N -0.111 114.477 114.554 0.056 0.000 2.928 4 T HA 0.677 5.027 4.350 -0.001 0.000 0.284 4 T C -0.386 174.361 174.700 0.079 0.000 1.008 4 T CA -0.638 61.495 62.100 0.054 0.000 1.057 4 T CB 1.579 70.463 68.868 0.027 0.000 1.018 4 T HN 0.076 8.316 8.240 -0.000 0.000 0.493 5 V N 4.579 124.551 119.914 0.096 0.000 2.378 5 V HA 0.456 4.576 4.120 -0.001 0.000 0.288 5 V C -1.942 174.220 176.094 0.114 0.000 1.016 5 V CA -1.634 60.759 62.300 0.155 0.000 0.840 5 V CB 0.971 32.943 31.823 0.248 0.000 0.994 5 V HN 0.911 9.101 8.190 -0.000 0.000 0.431 6 P HA 0.333 4.753 4.420 -0.000 0.000 0.274 6 P C -0.306 176.872 177.300 -0.203 0.000 1.231 6 P CA -0.132 62.860 63.100 -0.181 0.000 0.790 6 P CB 0.801 32.296 31.700 -0.341 0.000 0.951 7 T N 1.906 116.218 114.554 -0.403 0.000 2.859 7 T HA 0.608 4.958 4.350 -0.001 0.000 0.281 7 T C -0.579 173.752 174.700 -0.615 0.000 1.005 7 T CA 0.072 62.008 62.100 -0.274 0.000 1.025 7 T CB 0.105 68.861 68.868 -0.187 0.000 0.977 7 T HN 0.169 8.409 8.240 -0.000 0.000 0.458 8 F N 0.728 120.696 119.950 0.030 0.000 2.578 8 F HA 0.526 5.052 4.527 -0.001 0.000 0.311 8 F C 0.504 176.276 175.800 -0.046 0.000 1.094 8 F CA -1.097 56.851 58.000 -0.088 0.000 0.923 8 F CB 1.783 40.664 39.000 -0.198 0.000 1.230 8 F HN 0.435 8.735 8.300 -0.000 0.000 0.450 9 S N 2.169 117.940 115.700 0.118 0.000 2.545 9 S HA 0.233 4.703 4.470 -0.001 0.000 0.275 9 S C 0.793 175.408 174.600 0.025 0.000 1.299 9 S CA -0.584 57.655 58.200 0.065 0.000 1.048 9 S CB 0.794 64.019 63.200 0.041 0.000 0.938 9 S HN 0.715 9.025 8.310 -0.000 0.000 0.496 10 L N 6.092 127.317 121.223 0.003 0.000 2.056 10 L HA 0.173 4.513 4.340 -0.001 0.000 0.207 10 L C 2.523 179.358 176.870 -0.058 0.000 1.078 10 L CA 2.389 57.198 54.840 -0.051 0.000 0.749 10 L CB -1.397 40.648 42.059 -0.023 0.000 0.901 10 L HN 0.914 9.144 8.230 -0.000 0.000 0.433 11 A N -0.566 122.236 122.820 -0.030 0.000 1.873 11 A HA -0.294 4.026 4.320 -0.001 0.000 0.218 11 A C 2.193 179.760 177.584 -0.029 0.000 1.193 11 A CA 2.163 54.183 52.037 -0.028 0.000 0.629 11 A CB -0.811 18.180 19.000 -0.016 0.000 0.826 11 A HN 0.597 8.747 8.150 -0.000 0.000 0.447 12 E N -0.436 119.760 120.200 -0.006 0.000 2.085 12 E HA -0.185 4.164 4.350 -0.001 0.000 0.194 12 E C 2.002 178.589 176.600 -0.021 0.000 0.994 12 E CA 1.287 57.697 56.400 0.017 0.000 0.801 12 E CB -0.320 29.442 29.700 0.102 0.000 0.743 12 E HN 0.654 9.014 8.360 -0.000 0.000 0.453 13 L N 0.592 121.761 121.223 -0.089 0.000 2.046 13 L HA -0.227 4.112 4.340 -0.001 0.000 0.208 13 L C 2.437 179.216 176.870 -0.152 0.000 1.077 13 L CA 1.203 55.921 54.840 -0.205 0.000 0.747 13 L CB -0.314 41.477 42.059 -0.448 0.000 0.896 13 L HN 0.113 8.343 8.230 -0.000 0.000 0.432 14 Q N -0.292 119.440 119.800 -0.113 0.000 2.364 14 Q HA -0.195 4.145 4.340 -0.001 0.000 0.209 14 Q C 1.318 177.283 176.000 -0.058 0.000 0.977 14 Q CA 0.915 56.671 55.803 -0.078 0.000 0.885 14 Q CB 0.040 28.741 28.738 -0.061 0.000 0.941 14 Q HN 0.568 8.838 8.270 -0.000 0.000 0.464 15 Q N -1.038 118.729 119.800 -0.055 0.000 2.212 15 Q HA 0.171 4.510 4.340 -0.001 0.000 0.213 15 Q C 0.564 176.533 176.000 -0.050 0.000 0.874 15 Q CA 0.255 56.032 55.803 -0.045 0.000 0.965 15 Q CB 0.826 29.541 28.738 -0.037 0.000 1.074 15 Q HN 0.456 8.726 8.270 -0.000 0.000 0.473 16 G N 0.721 109.486 108.800 -0.058 0.000 2.168 16 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.263 16 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.263 16 G C 0.216 175.077 174.900 -0.065 0.000 0.977 16 G CA 0.033 45.100 45.100 -0.055 0.000 0.659 16 G HN 0.325 8.615 8.290 -0.000 0.000 0.533 17 L N -1.160 120.017 121.223 -0.077 0.000 2.472 17 L HA 0.368 4.708 4.340 -0.001 0.000 0.260 17 L C 1.650 178.486 176.870 -0.056 0.000 1.209 17 L CA 0.043 54.803 54.840 -0.134 0.000 0.817 17 L CB 0.131 42.088 42.059 -0.169 0.000 1.106 17 L HN 0.462 8.692 8.230 -0.000 0.000 0.479 18 H N -0.582 118.492 119.070 0.007 0.000 2.731 18 H HA -0.232 4.324 4.556 -0.001 0.000 0.305 18 H C 1.295 176.635 175.328 0.021 0.000 1.132 18 H CA 0.673 56.748 56.048 0.046 0.000 1.148 18 H CB -1.162 28.674 29.762 0.123 0.000 1.379 18 H HN 0.564 8.844 8.280 -0.000 0.000 0.398 19 Q N 0.097 119.939 119.800 0.071 0.000 2.077 19 Q HA -0.192 4.148 4.340 -0.001 0.000 0.206 19 Q C 1.794 177.844 176.000 0.083 0.000 0.989 19 Q CA 2.041 57.880 55.803 0.061 0.000 0.853 19 Q CB 0.086 28.839 28.738 0.026 0.000 0.907 19 Q HN 0.628 8.898 8.270 -0.000 0.000 0.418 20 D N -0.044 120.404 120.400 0.080 0.000 2.103 20 D HA -0.123 4.516 4.640 -0.001 0.000 0.199 20 D C 1.750 178.105 176.300 0.091 0.000 0.978 20 D CA 0.998 55.038 54.000 0.067 0.000 0.829 20 D CB -0.031 40.804 40.800 0.058 0.000 0.981 20 D HN 0.204 8.574 8.370 -0.000 0.000 0.464 21 E N 0.375 120.670 120.200 0.159 0.000 2.130 21 E HA -0.170 4.180 4.350 -0.001 0.000 0.196 21 E C 1.690 178.404 176.600 0.189 0.000 0.998 21 E CA 0.635 57.167 56.400 0.219 0.000 0.806 21 E CB -0.322 29.589 29.700 0.352 0.000 0.738 21 E HN 0.260 8.620 8.360 -0.000 0.000 0.459 22 F N 0.515 120.386 119.950 -0.131 0.000 2.270 22 F HA 0.116 4.642 4.527 -0.001 0.000 0.295 22 F C 2.192 177.845 175.800 -0.244 0.000 1.087 22 F CA 0.901 58.630 58.000 -0.451 0.000 1.365 22 F CB 0.059 38.639 39.000 -0.699 0.000 1.056 22 F HN -0.185 8.115 8.300 -0.000 0.000 0.506 23 R N 0.168 120.574 120.500 -0.157 0.000 2.073 23 R HA -0.121 4.219 4.340 -0.001 0.000 0.234 23 R C 2.438 178.640 176.300 -0.163 0.000 1.134 23 R CA 1.398 57.389 56.100 -0.182 0.000 0.952 23 R CB -0.089 30.177 30.300 -0.057 0.000 0.850 23 R HN 0.201 8.471 8.270 -0.000 0.000 0.433 24 R N -0.112 120.341 120.500 -0.078 0.000 2.075 24 R HA -0.131 4.208 4.340 -0.001 0.000 0.232 24 R C 2.519 178.797 176.300 -0.036 0.000 1.126 24 R CA 1.251 57.331 56.100 -0.033 0.000 0.963 24 R CB -1.173 29.137 30.300 0.016 0.000 0.858 24 R HN 0.359 8.629 8.270 -0.000 0.000 0.435 25 C N 1.382 120.661 119.300 -0.036 0.000 2.401 25 C HA -0.078 4.382 4.460 -0.001 0.000 0.276 25 C C 2.701 177.662 174.990 -0.050 0.000 1.233 25 C CA 0.722 59.747 59.018 0.012 0.000 1.753 25 C CB -1.092 26.711 27.740 0.104 0.000 2.029 25 C HN 0.394 8.624 8.230 -0.000 0.000 0.478 26 L N 0.150 121.240 121.223 -0.221 0.000 2.027 26 L HA -0.085 4.254 4.340 -0.001 0.000 0.206 26 L C 3.072 179.904 176.870 -0.063 0.000 1.074 26 L CA 1.823 56.557 54.840 -0.176 0.000 0.745 26 L CB -0.889 40.964 42.059 -0.344 0.000 0.898 26 L HN 0.339 8.569 8.230 -0.000 0.000 0.433 27 R N -0.000 120.458 120.500 -0.069 0.000 2.115 27 R HA -0.147 4.193 4.340 -0.001 0.000 0.230 27 R C 1.158 177.457 176.300 -0.002 0.000 1.111 27 R CA 1.550 57.632 56.100 -0.030 0.000 0.976 27 R CB 0.059 30.339 30.300 -0.033 0.000 0.870 27 R HN 0.394 8.664 8.270 -0.000 0.000 0.445 28 D N -1.118 119.287 120.400 0.008 0.000 2.417 28 D HA 0.053 4.693 4.640 -0.001 0.000 0.207 28 D C 0.839 177.167 176.300 0.046 0.000 1.075 28 D CA 0.562 54.578 54.000 0.026 0.000 0.851 28 D CB 0.747 41.564 40.800 0.029 0.000 0.976 28 D HN 0.199 8.569 8.370 -0.000 0.000 0.505 29 K N -1.242 119.195 120.400 0.061 0.000 2.711 29 K HA 0.205 4.524 4.320 -0.001 0.000 0.197 29 K C 1.169 177.828 176.600 0.100 0.000 1.535 29 K CA 0.542 56.882 56.287 0.088 0.000 1.170 29 K CB 1.620 34.193 32.500 0.121 0.000 1.596 29 K HN -0.049 8.201 8.250 -0.000 0.000 0.584 30 G N 2.650 111.516 108.800 0.110 0.000 2.180 30 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.263 30 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.263 30 G C -0.014 174.989 174.900 0.173 0.000 0.989 30 G CA 1.312 46.488 45.100 0.128 0.000 0.692 30 G HN 0.326 8.616 8.290 -0.000 0.000 0.526 31 L N -2.626 118.738 121.223 0.235 0.000 2.424 31 L HA 1.000 5.340 4.340 -0.001 0.000 0.258 31 L C -0.612 176.469 176.870 0.352 0.000 0.995 31 L CA -1.681 53.274 54.840 0.192 0.000 0.821 31 L CB 2.043 44.220 42.059 0.198 0.000 1.383 31 L HN 0.675 8.905 8.230 -0.000 0.000 0.410 32 F N -0.993 119.027 119.950 0.117 0.000 2.708 32 F HA 0.580 5.107 4.527 -0.001 0.000 0.309 32 F C -1.659 174.179 175.800 0.062 0.000 1.120 32 F CA -1.113 56.996 58.000 0.180 0.000 0.978 32 F CB 0.411 39.675 39.000 0.439 0.000 1.283 32 F HN 0.492 8.792 8.300 -0.000 0.000 0.439 33 Y N 1.689 122.132 120.300 0.238 0.000 2.299 33 Y HA 0.648 5.197 4.550 -0.001 0.000 0.335 33 Y C -0.325 175.737 175.900 0.271 0.000 1.287 33 Y CA -0.401 57.766 58.100 0.113 0.000 1.424 33 Y CB 1.263 39.731 38.460 0.013 0.000 1.326 33 Y HN 0.699 8.979 8.280 -0.000 0.000 0.567 34 L N 2.043 123.460 121.223 0.323 0.000 2.528 34 L HA 0.382 4.722 4.340 -0.001 0.000 0.267 34 L C -0.225 176.730 176.870 0.141 0.000 0.961 34 L CA -0.319 54.686 54.840 0.276 0.000 0.866 34 L CB 1.425 43.654 42.059 0.282 0.000 1.248 34 L HN 0.784 9.014 8.230 -0.000 0.000 0.404 35 T N -0.808 113.805 114.554 0.099 0.000 2.849 35 T HA 0.417 4.766 4.350 -0.001 0.000 0.276 35 T C -0.199 174.521 174.700 0.032 0.000 0.971 35 T CA -0.134 61.993 62.100 0.044 0.000 0.949 35 T CB 0.690 69.568 68.868 0.016 0.000 1.093 35 T HN 0.646 8.886 8.240 -0.000 0.000 0.545 36 D N -0.555 119.851 120.400 0.011 0.000 2.701 36 D HA -0.151 4.489 4.640 -0.001 0.000 0.235 36 D C 0.361 176.658 176.300 -0.006 0.000 1.155 36 D CA 0.836 54.836 54.000 0.000 0.000 0.649 36 D CB -2.304 38.496 40.800 0.000 0.000 1.050 36 D HN 0.953 9.323 8.370 -0.000 0.000 0.425 37 C N -3.247 116.048 119.300 -0.009 0.000 2.614 37 C HA 0.806 5.266 4.460 -0.001 0.000 0.320 37 C C 1.743 176.710 174.990 -0.038 0.000 1.200 37 C CA -0.371 58.631 59.018 -0.027 0.000 1.700 37 C CB 1.647 29.371 27.740 -0.027 0.000 2.275 37 C HN 0.306 8.536 8.230 -0.000 0.000 0.492 38 G N 1.403 110.171 108.800 -0.054 0.000 3.356 38 G HA2 0.398 4.358 3.960 -0.001 0.000 0.239 38 G HA3 0.398 4.358 3.960 -0.001 0.000 0.239 38 G C -0.092 174.775 174.900 -0.055 0.000 1.252 38 G CA 0.037 45.106 45.100 -0.052 0.000 1.611 38 G HN 0.697 8.987 8.290 -0.000 0.000 0.580 39 L N 0.067 121.263 121.223 -0.046 0.000 2.313 39 L HA 0.801 5.141 4.340 -0.001 0.000 0.268 39 L C 0.309 177.179 176.870 -0.001 0.000 1.010 39 L CA -0.939 53.884 54.840 -0.030 0.000 0.814 39 L CB 2.375 44.410 42.059 -0.041 0.000 1.304 39 L HN 0.126 8.356 8.230 -0.000 0.000 0.441 40 T N -4.532 110.034 114.554 0.020 0.000 2.916 40 T HA 0.277 4.627 4.350 -0.001 0.000 0.305 40 T C -0.094 174.629 174.700 0.039 0.000 1.119 40 T CA -0.755 61.358 62.100 0.022 0.000 1.008 40 T CB 1.860 70.730 68.868 0.003 0.000 1.129 40 T HN 0.460 8.700 8.240 -0.000 0.000 0.480 41 D N 1.437 121.868 120.400 0.052 0.000 2.149 41 D HA -0.055 4.584 4.640 -0.001 0.000 0.198 41 D C 2.002 178.305 176.300 0.005 0.000 0.990 41 D CA 1.708 55.747 54.000 0.065 0.000 0.839 41 D CB -0.392 40.473 40.800 0.108 0.000 0.948 41 D HN 0.703 9.073 8.370 -0.000 0.000 0.460 42 T N 0.283 114.831 114.554 -0.009 0.000 2.643 42 T HA -0.157 4.193 4.350 -0.001 0.000 0.264 42 T C 2.017 176.662 174.700 -0.091 0.000 1.045 42 T CA 1.498 63.573 62.100 -0.042 0.000 1.155 42 T CB -0.495 68.355 68.868 -0.031 0.000 0.863 42 T HN 0.076 8.316 8.240 -0.000 0.000 0.420 43 E N 0.799 120.951 120.200 -0.081 0.000 2.108 43 E HA -0.196 4.154 4.350 -0.001 0.000 0.203 43 E C 2.166 178.579 176.600 -0.311 0.000 1.022 43 E CA 1.327 57.648 56.400 -0.132 0.000 0.823 43 E CB -0.943 28.754 29.700 -0.004 0.000 0.744 43 E HN 0.458 8.818 8.360 -0.000 0.000 0.456 44 L N 0.600 121.688 121.223 -0.224 0.000 1.994 44 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 44 L C 2.151 178.830 176.870 -0.319 0.000 1.071 44 L CA 2.099 56.733 54.840 -0.344 0.000 0.745 44 L CB -0.511 41.507 42.059 -0.068 0.000 0.892 44 L HN 0.010 8.240 8.230 -0.000 0.000 0.431 45 K N -0.347 119.946 120.400 -0.178 0.000 2.074 45 K HA -0.110 4.210 4.320 -0.001 0.000 0.209 45 K C 2.239 178.728 176.600 -0.185 0.000 1.048 45 K CA 1.768 57.973 56.287 -0.137 0.000 0.926 45 K CB -0.610 31.840 32.500 -0.083 0.000 0.713 45 K HN 0.364 8.614 8.250 -0.000 0.000 0.444 46 S N -0.348 115.209 115.700 -0.237 0.000 2.406 46 S HA 0.003 4.472 4.470 -0.001 0.000 0.228 46 S C 1.860 176.252 174.600 -0.347 0.000 1.020 46 S CA 0.844 58.901 58.200 -0.237 0.000 0.965 46 S CB -0.101 62.971 63.200 -0.213 0.000 0.798 46 S HN 0.444 8.754 8.310 -0.000 0.000 0.488 47 A N 1.913 124.366 122.820 -0.612 0.000 1.872 47 A HA -0.059 4.261 4.320 -0.001 0.000 0.214 47 A C 1.984 179.308 177.584 -0.433 0.000 1.187 47 A CA 1.542 53.019 52.037 -0.935 0.000 0.614 47 A CB -0.508 17.350 19.000 -1.902 0.000 0.826 47 A HN 0.445 8.595 8.150 -0.000 0.000 0.442 48 K N -0.309 119.851 120.400 -0.400 0.000 2.020 48 K HA -0.248 4.072 4.320 -0.001 0.000 0.212 48 K C 1.363 177.919 176.600 -0.074 0.000 1.050 48 K CA 1.981 58.163 56.287 -0.176 0.000 0.929 48 K CB -0.333 32.156 32.500 -0.018 0.000 0.714 48 K HN 0.362 8.612 8.250 -0.000 0.000 0.443 49 D N 0.843 121.194 120.400 -0.082 0.000 2.144 49 D HA -0.169 4.471 4.640 -0.001 0.000 0.199 49 D C 1.894 178.217 176.300 0.039 0.000 0.984 49 D CA 0.784 54.770 54.000 -0.024 0.000 0.834 49 D CB -0.150 40.632 40.800 -0.029 0.000 0.955 49 D HN 0.181 8.551 8.370 -0.000 0.000 0.465 50 L N 0.390 121.638 121.223 0.041 0.000 2.056 50 L HA -0.098 4.242 4.340 -0.001 0.000 0.207 50 L C 2.239 179.287 176.870 0.297 0.000 1.078 50 L CA 1.097 56.023 54.840 0.144 0.000 0.749 50 L CB -0.325 41.779 42.059 0.074 0.000 0.901 50 L HN -0.148 8.082 8.230 -0.000 0.000 0.433 51 V N -0.128 119.954 119.914 0.280 0.000 2.295 51 V HA -0.314 3.806 4.120 -0.001 0.000 0.246 51 V C 2.465 178.755 176.094 0.326 0.000 1.049 51 V CA 2.199 64.712 62.300 0.354 0.000 1.024 51 V CB -0.394 31.515 31.823 0.143 0.000 0.648 51 V HN 0.401 8.591 8.190 -0.000 0.000 0.447 52 I N -0.101 120.551 120.570 0.138 0.000 2.286 52 I HA -0.231 3.939 4.170 -0.001 0.000 0.248 52 I C 2.452 178.684 176.117 0.192 0.000 1.115 52 I CA 1.709 63.046 61.300 0.062 0.000 1.392 52 I CB -0.579 37.323 38.000 -0.164 0.000 1.065 52 I HN 0.425 8.635 8.210 -0.000 0.000 0.418 53 D N 1.182 121.704 120.400 0.203 0.000 2.106 53 D HA -0.276 4.364 4.640 -0.001 0.000 0.191 53 D C 2.097 178.559 176.300 0.269 0.000 0.997 53 D CA 1.681 55.831 54.000 0.251 0.000 0.834 53 D CB -0.095 40.856 40.800 0.252 0.000 0.956 53 D HN 0.257 8.627 8.370 -0.000 0.000 0.448 54 F N 0.549 120.582 119.950 0.140 0.000 2.113 54 F HA -0.115 4.411 4.527 -0.001 0.000 0.297 54 F C 2.197 177.997 175.800 0.000 0.000 1.103 54 F CA 1.079 59.103 58.000 0.039 0.000 1.248 54 F CB -0.997 37.978 39.000 -0.042 0.000 0.999 54 F HN -0.042 8.258 8.300 -0.000 0.000 0.475 55 F N 1.344 121.241 119.950 -0.089 0.000 2.087 55 F HA -0.286 4.240 4.527 -0.001 0.000 0.299 55 F C 2.207 177.856 175.800 -0.250 0.000 1.100 55 F CA 2.458 60.362 58.000 -0.159 0.000 1.226 55 F CB -0.369 38.679 39.000 0.079 0.000 0.983 55 F HN 0.092 8.392 8.300 -0.000 0.000 0.479 56 E N -1.820 118.209 120.200 -0.285 0.000 2.170 56 E HA -0.117 4.233 4.350 -0.001 0.000 0.191 56 E C 1.178 177.414 176.600 -0.606 0.000 0.981 56 E CA 0.940 57.017 56.400 -0.537 0.000 0.830 56 E CB -0.083 29.264 29.700 -0.588 0.000 0.775 56 E HN 0.538 8.898 8.360 -0.000 0.000 0.470 57 H N -0.929 118.028 119.070 -0.188 0.000 2.893 57 H HA 0.233 4.789 4.556 -0.001 0.000 0.270 57 H C 0.473 175.677 175.328 -0.207 0.000 1.095 57 H CA 0.112 56.071 56.048 -0.147 0.000 1.186 57 H CB 0.621 30.353 29.762 -0.050 0.000 1.562 57 H HN -0.014 8.266 8.280 -0.000 0.000 0.536 58 G N 1.030 109.623 108.800 -0.345 0.000 2.380 58 G HA2 0.155 4.115 3.960 -0.001 0.000 0.262 58 G HA3 0.155 4.115 3.960 -0.001 0.000 0.262 58 G C 0.406 175.112 174.900 -0.324 0.000 1.243 58 G CA -0.151 44.662 45.100 -0.478 0.000 0.865 58 G HN 0.175 8.465 8.290 -0.000 0.000 0.513 59 S N 0.986 116.589 115.700 -0.162 0.000 2.537 59 S HA -0.063 4.406 4.470 -0.001 0.000 0.280 59 S C 1.758 176.263 174.600 -0.158 0.000 1.335 59 S CA 0.279 58.409 58.200 -0.118 0.000 1.025 59 S CB 0.456 63.624 63.200 -0.054 0.000 0.836 59 S HN 0.665 8.975 8.310 -0.000 0.000 0.523 60 E N 2.943 123.070 120.200 -0.121 0.000 2.106 60 E HA -0.077 4.273 4.350 -0.001 0.000 0.192 60 E C 2.238 178.788 176.600 -0.082 0.000 0.984 60 E CA 1.354 57.684 56.400 -0.116 0.000 0.806 60 E CB -1.045 28.601 29.700 -0.090 0.000 0.750 60 E HN 0.679 9.039 8.360 -0.000 0.000 0.458 61 A N 1.797 124.584 122.820 -0.056 0.000 1.897 61 A HA -0.157 4.163 4.320 -0.001 0.000 0.215 61 A C 2.117 179.692 177.584 -0.015 0.000 1.181 61 A CA 1.245 53.264 52.037 -0.031 0.000 0.620 61 A CB -0.424 18.563 19.000 -0.021 0.000 0.821 61 A HN 0.199 8.349 8.150 -0.000 0.000 0.443 62 E N 0.056 120.252 120.200 -0.006 0.000 2.070 62 E HA -0.236 4.113 4.350 -0.001 0.000 0.197 62 E C 2.067 178.717 176.600 0.083 0.000 1.004 62 E CA 1.641 58.072 56.400 0.051 0.000 0.805 62 E CB -0.175 29.591 29.700 0.111 0.000 0.744 62 E HN 0.567 8.927 8.360 -0.000 0.000 0.451 63 K N 0.437 120.839 120.400 0.002 0.000 2.032 63 K HA -0.141 4.179 4.320 -0.001 0.000 0.209 63 K C 2.225 178.820 176.600 -0.007 0.000 1.048 63 K CA 1.093 57.358 56.287 -0.037 0.000 0.927 63 K CB -0.102 32.270 32.500 -0.212 0.000 0.712 63 K HN 0.033 8.283 8.250 -0.000 0.000 0.441 64 R N 0.266 120.755 120.500 -0.018 0.000 2.103 64 R HA -0.150 4.189 4.340 -0.001 0.000 0.242 64 R C 2.298 178.605 176.300 0.012 0.000 1.142 64 R CA 1.485 57.583 56.100 -0.003 0.000 0.960 64 R CB -0.514 29.780 30.300 -0.011 0.000 0.858 64 R HN 0.220 8.490 8.270 -0.000 0.000 0.439 65 A N 0.732 123.559 122.820 0.012 0.000 2.125 65 A HA -0.076 4.244 4.320 -0.001 0.000 0.219 65 A C 1.928 179.520 177.584 0.012 0.000 1.156 65 A CA 1.536 53.579 52.037 0.010 0.000 0.671 65 A CB -0.059 18.945 19.000 0.007 0.000 0.794 65 A HN 0.299 8.449 8.150 -0.000 0.000 0.459 66 V N -4.749 115.181 119.914 0.027 0.000 3.330 66 V HA 0.240 4.359 4.120 -0.001 0.000 0.309 66 V C 0.387 176.578 176.094 0.163 0.000 1.481 66 V CA 0.126 62.463 62.300 0.061 0.000 1.068 66 V CB -0.646 31.183 31.823 0.009 0.000 0.935 66 V HN 0.111 8.301 8.190 -0.000 0.000 0.453 67 T N 2.411 117.037 114.554 0.120 0.000 2.926 67 T HA 0.233 4.582 4.350 -0.001 0.000 0.307 67 T C 0.460 175.220 174.700 0.099 0.000 1.059 67 T CA 1.108 63.297 62.100 0.149 0.000 1.122 67 T CB 1.093 70.017 68.868 0.093 0.000 0.972 67 T HN 0.644 8.884 8.240 -0.000 0.000 0.545 68 S N 3.379 119.136 115.700 0.094 0.000 2.525 68 S HA 0.099 4.569 4.470 -0.001 0.000 0.285 68 S C -0.807 173.804 174.600 0.018 0.000 1.283 68 S CA -1.353 56.868 58.200 0.034 0.000 1.072 68 S CB 0.400 63.608 63.200 0.014 0.000 0.867 68 S HN 0.508 8.818 8.310 -0.000 0.000 0.492 69 P HA 0.045 4.465 4.420 -0.000 0.000 0.217 69 P C 0.265 177.562 177.300 -0.005 0.000 1.151 69 P CA 0.714 63.813 63.100 -0.002 0.000 0.828 69 P CB 0.074 31.769 31.700 -0.009 0.000 0.788 70 V N -0.880 119.027 119.914 -0.012 0.000 2.932 70 V HA 0.291 4.411 4.120 -0.001 0.000 0.307 70 V C -1.964 174.116 176.094 -0.023 0.000 1.147 70 V CA -2.104 60.187 62.300 -0.016 0.000 0.951 70 V CB 1.950 33.763 31.823 -0.018 0.000 1.031 70 V HN -0.251 7.939 8.190 -0.000 0.000 0.426 71 P HA -0.171 4.249 4.420 -0.000 0.000 0.219 71 P C 1.579 178.852 177.300 -0.045 0.000 1.153 71 P CA 2.324 65.405 63.100 -0.033 0.000 0.865 71 P CB 0.089 31.770 31.700 -0.032 0.000 0.788 72 T N -1.206 113.323 114.554 -0.043 0.000 2.652 72 T HA -0.168 4.181 4.350 -0.001 0.000 0.267 72 T C 1.309 175.977 174.700 -0.053 0.000 1.039 72 T CA 1.904 63.975 62.100 -0.048 0.000 1.153 72 T CB -1.011 67.833 68.868 -0.039 0.000 0.863 72 T HN 0.142 8.382 8.240 -0.000 0.000 0.428 73 M N 4.169 123.739 119.600 -0.049 0.000 2.720 73 M HA 0.278 4.757 4.480 -0.001 0.000 0.328 73 M C 0.668 176.924 176.300 -0.072 0.000 1.682 73 M CA -0.065 55.200 55.300 -0.059 0.000 1.381 73 M CB -1.182 31.387 32.600 -0.051 0.000 1.868 73 M HN 0.275 8.565 8.290 -0.000 0.000 0.459 74 R N 2.939 123.387 120.500 -0.087 0.000 3.956 74 R HA 0.507 4.847 4.340 -0.001 0.000 0.237 74 R C -1.182 175.028 176.300 -0.150 0.000 1.552 74 R CA -0.163 55.875 56.100 -0.104 0.000 1.529 74 R CB -0.212 30.031 30.300 -0.095 0.000 1.376 74 R HN 0.787 9.057 8.270 -0.000 0.000 0.733 75 R N 0.553 120.953 120.500 -0.166 0.000 2.548 75 R HA 0.518 4.857 4.340 -0.001 0.000 0.280 75 R C -0.213 175.957 176.300 -0.216 0.000 1.061 75 R CA 0.067 56.020 56.100 -0.244 0.000 0.915 75 R CB 2.164 32.342 30.300 -0.204 0.000 1.210 75 R HN 0.682 8.952 8.270 -0.000 0.000 0.442 76 G N 1.989 110.586 108.800 -0.339 0.000 2.627 76 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.214 76 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.214 76 G C -0.782 174.101 174.900 -0.029 0.000 1.331 76 G CA -0.750 44.316 45.100 -0.056 0.000 0.891 76 G HN 0.327 8.617 8.290 -0.000 0.000 0.539 77 F N 0.856 120.902 119.950 0.159 0.000 2.375 77 F HA 0.739 5.265 4.527 -0.001 0.000 0.317 77 F C 1.112 176.973 175.800 0.102 0.000 1.124 77 F CA 0.490 58.605 58.000 0.193 0.000 1.050 77 F CB 2.309 41.444 39.000 0.225 0.000 1.314 77 F HN 0.795 9.095 8.300 -0.000 0.000 0.511 78 T N -1.819 112.913 114.554 0.296 0.000 3.295 78 T HA 0.525 4.874 4.350 -0.001 0.000 0.331 78 T C -0.321 174.478 174.700 0.164 0.000 1.142 78 T CA -0.605 61.599 62.100 0.172 0.000 1.078 78 T CB 0.988 69.905 68.868 0.082 0.000 1.150 78 T HN 1.308 9.548 8.240 -0.000 0.000 0.465 79 G N 2.443 111.329 108.800 0.143 0.000 2.356 79 G HA2 0.040 4.000 3.960 -0.001 0.000 0.233 79 G HA3 0.040 4.000 3.960 -0.001 0.000 0.233 79 G C 0.080 175.105 174.900 0.208 0.000 1.105 79 G CA 0.021 45.196 45.100 0.124 0.000 0.861 79 G HN 1.626 9.916 8.290 -0.000 0.000 0.493 80 L N -2.541 118.806 121.223 0.207 0.000 3.298 80 L HA 0.527 4.867 4.340 -0.001 0.000 0.296 80 L C 0.673 177.538 176.870 -0.009 0.000 1.237 80 L CA -0.021 54.979 54.840 0.267 0.000 1.038 80 L CB -0.869 41.389 42.059 0.332 0.000 1.423 80 L HN 0.465 8.695 8.230 -0.000 0.000 0.605 81 E N -0.100 120.093 120.200 -0.011 0.000 2.989 81 E HA 0.619 4.969 4.350 -0.001 0.000 0.182 81 E C -0.802 175.758 176.600 -0.067 0.000 0.730 81 E CA -0.529 55.828 56.400 -0.071 0.000 1.204 81 E CB 0.623 30.300 29.700 -0.038 0.000 1.863 81 E HN -0.018 8.342 8.360 -0.000 0.000 0.366 98 S N 1.977 117.625 115.700 -0.086 0.000 2.672 98 S HA 0.832 5.302 4.470 -0.001 0.000 0.271 98 S C -0.582 173.887 174.600 -0.219 0.000 1.171 98 S CA -0.180 57.863 58.200 -0.262 0.000 0.817 98 S CB 1.413 64.155 63.200 -0.764 0.000 1.150 98 S HN 2.254 10.564 8.310 -0.000 0.000 0.478 99 M N 0.751 120.198 119.600 -0.255 0.000 2.359 99 M HA 0.860 5.340 4.480 -0.001 0.000 0.322 99 M C -0.598 175.660 176.300 -0.070 0.000 1.166 99 M CA -0.222 55.038 55.300 -0.068 0.000 1.067 99 M CB 1.520 34.137 32.600 0.028 0.000 1.523 99 M HN 0.991 9.281 8.290 -0.000 0.000 0.467 100 C N 3.301 122.651 119.300 0.084 0.000 2.931 100 C HA 0.652 5.112 4.460 -0.001 0.000 0.370 100 C C -2.139 172.901 174.990 0.082 0.000 1.071 100 C CA -0.472 58.578 59.018 0.052 0.000 1.266 100 C CB 0.938 28.669 27.740 -0.016 0.000 1.691 100 C HN 0.919 9.149 8.230 -0.000 0.000 0.511 101 Y N 3.960 124.199 120.300 -0.102 0.000 2.376 101 Y HA 0.759 5.309 4.550 -0.001 0.000 0.340 101 Y C -0.201 175.580 175.900 -0.200 0.000 0.965 101 Y CA -0.137 57.709 58.100 -0.422 0.000 1.078 101 Y CB 2.082 40.096 38.460 -0.743 0.000 1.193 101 Y HN 0.770 9.050 8.280 -0.000 0.000 0.452 102 S N 7.014 122.154 115.700 -0.933 0.000 2.526 102 S HA 0.819 5.288 4.470 -0.001 0.000 0.293 102 S C -0.940 173.222 174.600 -0.731 0.000 1.092 102 S CA -0.873 56.991 58.200 -0.561 0.000 0.980 102 S CB 1.471 64.491 63.200 -0.301 0.000 1.048 102 S HN 0.770 9.080 8.310 -0.000 0.000 0.483 103 M N 1.050 120.443 119.600 -0.344 0.000 2.644 103 M HA 0.869 5.349 4.480 -0.001 0.000 0.273 103 M C -0.724 175.510 176.300 -0.109 0.000 1.253 103 M CA -0.644 54.480 55.300 -0.293 0.000 0.852 103 M CB 1.410 33.855 32.600 -0.258 0.000 1.708 103 M HN 0.728 9.018 8.290 -0.000 0.000 0.471 104 G N 0.059 108.711 108.800 -0.246 0.000 3.243 104 G HA2 0.479 4.439 3.960 -0.001 0.000 0.248 104 G HA3 0.479 4.439 3.960 -0.001 0.000 0.248 104 G C 0.316 174.918 174.900 -0.497 0.000 1.267 104 G CA 0.167 45.149 45.100 -0.197 0.000 0.906 104 G HN 0.893 9.183 8.290 -0.000 0.000 0.592 105 T N -2.145 112.286 114.554 -0.205 0.000 3.007 105 T HA 0.455 4.804 4.350 -0.001 0.000 0.270 105 T C 0.817 175.445 174.700 -0.120 0.000 1.107 105 T CA 1.540 63.550 62.100 -0.150 0.000 1.118 105 T CB -0.175 68.711 68.868 0.030 0.000 0.889 105 T HN 1.618 9.858 8.240 -0.000 0.000 0.506 106 A N 0.300 123.046 122.820 -0.123 0.000 2.493 106 A HA 0.525 4.845 4.320 -0.001 0.000 0.300 106 A C -0.807 176.721 177.584 -0.093 0.000 1.152 106 A CA -0.210 51.786 52.037 -0.068 0.000 0.643 106 A CB 0.083 19.070 19.000 -0.022 0.000 1.316 106 A HN 0.092 8.242 8.150 -0.000 0.000 0.469 107 D N 0.178 120.539 120.400 -0.064 0.000 2.811 107 D HA -0.141 4.499 4.640 -0.001 0.000 0.231 107 D C -0.156 176.052 176.300 -0.153 0.000 1.157 107 D CA 1.262 55.213 54.000 -0.082 0.000 0.716 107 D CB -1.181 39.578 40.800 -0.068 0.000 1.077 107 D HN 0.528 8.898 8.370 -0.000 0.000 0.428 108 N N 0.196 118.767 118.700 -0.216 0.000 2.483 108 N HA 0.436 5.176 4.740 -0.001 0.000 0.269 108 N C 0.576 175.759 175.510 -0.546 0.000 1.209 108 N CA -0.053 52.730 53.050 -0.446 0.000 0.969 108 N CB 1.143 39.270 38.487 -0.600 0.000 1.173 108 N HN 0.193 8.573 8.380 -0.000 0.000 0.475 109 L N 1.207 122.041 121.223 -0.649 0.000 2.346 109 L HA 0.550 4.889 4.340 -0.001 0.000 0.274 109 L C -1.174 175.380 176.870 -0.526 0.000 1.007 109 L CA -0.647 53.940 54.840 -0.421 0.000 0.818 109 L CB 1.021 42.987 42.059 -0.154 0.000 1.284 109 L HN 0.337 8.567 8.230 -0.000 0.000 0.424 110 F N 1.721 121.653 119.950 -0.031 0.000 2.653 110 F HA 0.344 4.871 4.527 -0.001 0.000 0.327 110 F C -1.744 173.864 175.800 -0.319 0.000 1.195 110 F CA -1.500 56.407 58.000 -0.155 0.000 0.993 110 F CB 1.286 40.300 39.000 0.023 0.000 1.259 110 F HN 0.250 8.550 8.300 -0.000 0.000 0.478 111 P HA -0.044 4.376 4.420 -0.000 0.000 0.219 111 P C 0.080 177.226 177.300 -0.258 0.000 1.146 111 P CA 1.129 63.871 63.100 -0.596 0.000 0.808 111 P CB 0.391 31.218 31.700 -1.456 0.000 0.779 112 S N -3.823 111.806 115.700 -0.118 0.000 2.636 112 S HA 0.530 4.999 4.470 -0.001 0.000 0.268 112 S C 1.077 175.703 174.600 0.042 0.000 1.159 112 S CA -0.194 58.007 58.200 0.001 0.000 0.815 112 S CB 0.862 64.081 63.200 0.031 0.000 1.130 112 S HN -0.014 8.296 8.310 -0.000 0.000 0.471 113 G N 0.487 109.300 108.800 0.023 0.000 2.403 113 G HA2 0.004 3.964 3.960 -0.001 0.000 0.216 113 G HA3 0.004 3.964 3.960 -0.001 0.000 0.216 113 G C 0.631 175.524 174.900 -0.011 0.000 1.154 113 G CA 0.940 46.035 45.100 -0.008 0.000 0.784 113 G HN 0.722 9.012 8.290 -0.000 0.000 0.538 114 D N -0.126 120.293 120.400 0.030 0.000 2.183 114 D HA -0.030 4.610 4.640 -0.001 0.000 0.203 114 D C 1.864 178.193 176.300 0.049 0.000 0.969 114 D CA 0.084 54.099 54.000 0.025 0.000 0.842 114 D CB -0.268 40.551 40.800 0.032 0.000 0.957 114 D HN 0.248 8.618 8.370 -0.000 0.000 0.484 115 F N 2.004 121.932 119.950 -0.037 0.000 2.046 115 F HA -0.192 4.335 4.527 -0.001 0.000 0.297 115 F C 2.313 178.059 175.800 -0.091 0.000 1.123 115 F CA 1.632 59.639 58.000 0.010 0.000 1.199 115 F CB -0.100 38.874 39.000 -0.042 0.000 0.972 115 F HN -0.108 8.192 8.300 -0.000 0.000 0.474 116 E N -0.206 119.909 120.200 -0.141 0.000 2.086 116 E HA -0.322 4.027 4.350 -0.001 0.000 0.200 116 E C 2.471 178.876 176.600 -0.326 0.000 1.012 116 E CA 1.830 57.783 56.400 -0.745 0.000 0.812 116 E CB -0.156 29.124 29.700 -0.699 0.000 0.743 116 E HN 0.382 8.742 8.360 -0.000 0.000 0.453 117 R N -0.263 120.141 120.500 -0.160 0.000 2.075 117 R HA -0.090 4.250 4.340 -0.001 0.000 0.232 117 R C 2.452 178.712 176.300 -0.066 0.000 1.126 117 R CA 1.231 57.278 56.100 -0.089 0.000 0.963 117 R CB -0.138 30.125 30.300 -0.062 0.000 0.858 117 R HN 0.201 8.471 8.270 -0.000 0.000 0.435 118 I N -1.353 119.162 120.570 -0.092 0.000 2.233 118 I HA -0.244 3.926 4.170 -0.001 0.000 0.243 118 I C 1.672 177.681 176.117 -0.179 0.000 1.093 118 I CA 1.263 62.464 61.300 -0.165 0.000 1.380 118 I CB -0.163 37.686 38.000 -0.251 0.000 1.067 118 I HN 0.234 8.444 8.210 -0.000 0.000 0.413 119 W N 0.483 121.668 121.300 -0.190 0.000 2.467 119 W HA -0.100 4.560 4.660 -0.001 0.000 0.275 119 W C 2.669 179.301 176.519 0.189 0.000 1.239 119 W CA 1.062 58.414 57.345 0.011 0.000 1.266 119 W CB -0.758 28.694 29.460 -0.013 0.000 1.112 119 W HN -0.038 8.142 8.180 -0.000 0.000 0.576 120 T N -0.344 114.364 114.554 0.257 0.000 2.867 120 T HA -0.251 4.099 4.350 -0.001 0.000 0.268 120 T C 1.636 176.466 174.700 0.216 0.000 1.057 120 T CA 1.710 63.944 62.100 0.225 0.000 1.136 120 T CB -0.150 68.768 68.868 0.083 0.000 0.874 120 T HN 0.064 8.304 8.240 -0.000 0.000 0.466 121 Q N -0.088 119.788 119.800 0.128 0.000 2.212 121 Q HA -0.004 4.336 4.340 -0.001 0.000 0.199 121 Q C 1.834 177.898 176.000 0.106 0.000 0.950 121 Q CA 1.053 56.908 55.803 0.088 0.000 0.863 121 Q CB -0.425 28.326 28.738 0.021 0.000 0.944 121 Q HN 0.638 8.908 8.270 -0.000 0.000 0.465 122 Y N -0.347 119.921 120.300 -0.054 0.000 2.263 122 Y HA -0.094 4.456 4.550 -0.001 0.000 0.292 122 Y C 1.633 177.551 175.900 0.030 0.000 1.130 122 Y CA 1.322 59.341 58.100 -0.134 0.000 1.179 122 Y CB -0.433 37.774 38.460 -0.422 0.000 0.998 122 Y HN 0.238 8.518 8.280 -0.000 0.000 0.532 123 F N 1.195 121.148 119.950 0.006 0.000 2.051 123 F HA -0.243 4.283 4.527 -0.001 0.000 0.296 123 F C 2.127 177.946 175.800 0.032 0.000 1.122 123 F CA 2.285 60.321 58.000 0.061 0.000 1.201 123 F CB -0.468 38.678 39.000 0.244 0.000 0.978 123 F HN 0.031 8.331 8.300 -0.000 0.000 0.472 124 D N 0.158 120.776 120.400 0.364 0.000 2.149 124 D HA -0.204 4.435 4.640 -0.001 0.000 0.194 124 D C 2.341 178.634 176.300 -0.011 0.000 1.001 124 D CA 1.220 55.358 54.000 0.231 0.000 0.849 124 D CB -0.472 40.434 40.800 0.177 0.000 0.939 124 D HN 0.299 8.669 8.370 -0.000 0.000 0.449 125 R N 0.229 120.669 120.500 -0.099 0.000 2.081 125 R HA -0.095 4.245 4.340 -0.001 0.000 0.235 125 R C 2.333 178.428 176.300 -0.340 0.000 1.131 125 R CA 0.878 56.867 56.100 -0.185 0.000 0.960 125 R CB -0.535 29.674 30.300 -0.153 0.000 0.856 125 R HN 0.233 8.503 8.270 -0.000 0.000 0.436 126 Q N -0.401 119.066 119.800 -0.556 0.000 2.119 126 Q HA -0.144 4.196 4.340 -0.001 0.000 0.201 126 Q C 1.714 177.048 176.000 -1.111 0.000 0.972 126 Q CA 1.238 56.515 55.803 -0.878 0.000 0.847 126 Q CB -0.293 27.785 28.738 -1.100 0.000 0.903 126 Q HN 0.276 8.546 8.270 -0.000 0.000 0.433 127 Y N 0.083 119.752 120.300 -1.053 0.000 2.263 127 Y HA -0.115 4.435 4.550 -0.001 0.000 0.292 127 Y C 2.048 177.745 175.900 -0.338 0.000 1.130 127 Y CA 1.637 59.349 58.100 -0.645 0.000 1.179 127 Y CB -0.502 37.826 38.460 -0.221 0.000 0.998 127 Y HN 0.082 8.362 8.280 -0.000 0.000 0.532 128 T N 0.592 115.005 114.554 -0.236 0.000 2.737 128 T HA -0.119 4.231 4.350 -0.001 0.000 0.265 128 T C 2.181 176.764 174.700 -0.194 0.000 1.038 128 T CA 1.548 63.513 62.100 -0.225 0.000 1.144 128 T CB -0.683 68.086 68.868 -0.165 0.000 0.866 128 T HN 0.388 8.628 8.240 -0.000 0.000 0.434 129 A N 1.931 124.617 122.820 -0.223 0.000 1.883 129 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 129 A C 2.585 180.077 177.584 -0.153 0.000 1.186 129 A CA 2.394 54.322 52.037 -0.181 0.000 0.624 129 A CB -0.972 17.902 19.000 -0.210 0.000 0.822 129 A HN 0.614 8.764 8.150 -0.000 0.000 0.444 130 S N -0.454 115.117 115.700 -0.215 0.000 2.406 130 S HA -0.122 4.347 4.470 -0.001 0.000 0.228 130 S C 1.962 176.564 174.600 0.003 0.000 1.020 130 S CA 0.992 59.132 58.200 -0.101 0.000 0.965 130 S CB -0.436 62.705 63.200 -0.100 0.000 0.798 130 S HN 0.600 8.910 8.310 -0.000 0.000 0.488 131 R N 1.236 121.725 120.500 -0.019 0.000 2.092 131 R HA 0.091 4.430 4.340 -0.001 0.000 0.231 131 R C 2.718 179.014 176.300 -0.006 0.000 1.119 131 R CA 1.214 57.307 56.100 -0.010 0.000 0.970 131 R CB -0.718 29.519 30.300 -0.106 0.000 0.864 131 R HN 0.589 8.859 8.270 -0.000 0.000 0.440 132 A N 0.812 123.611 122.820 -0.035 0.000 1.855 132 A HA -0.107 4.213 4.320 -0.001 0.000 0.215 132 A C 2.358 179.953 177.584 0.018 0.000 1.191 132 A CA 1.337 53.361 52.037 -0.021 0.000 0.613 132 A CB -0.691 18.283 19.000 -0.043 0.000 0.829 132 A HN 0.091 8.241 8.150 -0.000 0.000 0.442 133 V N 0.185 120.121 119.914 0.037 0.000 2.317 133 V HA -0.340 3.780 4.120 -0.001 0.000 0.251 133 V C 3.028 179.212 176.094 0.151 0.000 1.065 133 V CA 2.239 64.608 62.300 0.114 0.000 1.049 133 V CB -1.393 30.508 31.823 0.130 0.000 0.651 133 V HN 0.634 8.824 8.190 -0.000 0.000 0.450 134 A N -0.225 122.668 122.820 0.122 0.000 1.898 134 A HA -0.245 4.075 4.320 -0.001 0.000 0.216 134 A C 2.397 180.061 177.584 0.133 0.000 1.181 134 A CA 1.960 54.087 52.037 0.149 0.000 0.620 134 A CB -0.565 18.530 19.000 0.158 0.000 0.819 134 A HN 0.507 8.657 8.150 -0.000 0.000 0.442 135 R N -0.597 119.960 120.500 0.096 0.000 2.091 135 R HA -0.174 4.165 4.340 -0.001 0.000 0.238 135 R C 1.934 178.273 176.300 0.066 0.000 1.136 135 R CA 1.730 57.872 56.100 0.070 0.000 0.959 135 R CB -0.176 30.146 30.300 0.037 0.000 0.856 135 R HN 0.375 8.645 8.270 -0.000 0.000 0.437 136 E N -0.059 120.182 120.200 0.068 0.000 2.106 136 E HA -0.111 4.239 4.350 -0.001 0.000 0.192 136 E C 1.948 178.656 176.600 0.180 0.000 0.984 136 E CA 0.991 57.431 56.400 0.067 0.000 0.806 136 E CB -0.131 29.554 29.700 -0.024 0.000 0.750 136 E HN 0.197 8.557 8.360 -0.000 0.000 0.458 137 V N 0.895 120.940 119.914 0.218 0.000 2.427 137 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 137 V C 2.370 178.525 176.094 0.101 0.000 1.051 137 V CA 1.156 63.578 62.300 0.203 0.000 1.048 137 V CB -0.397 31.544 31.823 0.197 0.000 0.666 137 V HN 0.202 8.392 8.190 -0.000 0.000 0.456 138 L N -0.393 120.876 121.223 0.076 0.000 2.109 138 L HA -0.095 4.244 4.340 -0.001 0.000 0.207 138 L C 2.698 179.583 176.870 0.026 0.000 1.086 138 L CA 1.537 56.392 54.840 0.026 0.000 0.760 138 L CB -0.621 41.439 42.059 0.001 0.000 0.910 138 L HN 0.233 8.463 8.230 -0.000 0.000 0.437 139 R N 0.819 121.344 120.500 0.042 0.000 2.075 139 R HA -0.129 4.210 4.340 -0.001 0.000 0.232 139 R C 2.291 178.613 176.300 0.036 0.000 1.126 139 R CA 1.314 57.431 56.100 0.029 0.000 0.963 139 R CB -0.219 30.095 30.300 0.023 0.000 0.858 139 R HN 0.304 8.574 8.270 -0.000 0.000 0.435 140 A N 0.255 123.117 122.820 0.071 0.000 2.024 140 A HA -0.134 4.186 4.320 -0.001 0.000 0.220 140 A C 1.771 179.368 177.584 0.021 0.000 1.164 140 A CA 1.946 54.029 52.037 0.076 0.000 0.643 140 A CB -0.457 18.642 19.000 0.166 0.000 0.806 140 A HN 0.614 8.764 8.150 -0.000 0.000 0.451 141 T N -5.119 109.441 114.554 0.009 0.000 3.132 141 T HA 0.446 4.795 4.350 -0.001 0.000 0.274 141 T C 1.000 175.697 174.700 -0.005 0.000 1.011 141 T CA 0.831 62.926 62.100 -0.008 0.000 0.899 141 T CB -0.067 68.790 68.868 -0.017 0.000 1.089 141 T HN 1.678 9.918 8.240 -0.000 0.000 0.543 142 G N 1.625 110.425 108.800 0.000 0.000 2.338 142 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.296 142 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.296 142 G C -0.078 174.817 174.900 -0.008 0.000 1.040 142 G CA 0.248 45.346 45.100 -0.002 0.000 1.004 142 G HN 0.698 8.988 8.290 -0.000 0.000 0.509 143 T N 0.058 114.603 114.554 -0.015 0.000 2.770 143 T HA 0.536 4.885 4.350 -0.001 0.000 0.283 143 T C -0.557 174.118 174.700 -0.043 0.000 0.988 143 T CA -0.339 61.742 62.100 -0.031 0.000 0.957 143 T CB 2.015 70.854 68.868 -0.049 0.000 0.930 143 T HN 0.229 8.469 8.240 -0.000 0.000 0.443 144 E N 3.946 124.125 120.200 -0.035 0.000 2.183 144 E HA 0.382 4.732 4.350 -0.001 0.000 0.250 144 E C -2.303 174.274 176.600 -0.038 0.000 0.901 144 E CA -1.879 54.502 56.400 -0.031 0.000 0.741 144 E CB 1.083 30.779 29.700 -0.007 0.000 1.182 144 E HN 0.560 8.920 8.360 -0.000 0.000 0.425 145 P HA 0.209 4.629 4.420 -0.000 0.000 0.271 145 P C -0.639 176.676 177.300 0.025 0.000 1.244 145 P CA -0.382 62.677 63.100 -0.069 0.000 0.793 145 P CB 0.523 32.073 31.700 -0.251 0.000 0.984 146 D N -0.538 119.907 120.400 0.074 0.000 2.351 146 D HA 0.409 5.048 4.640 -0.001 0.000 0.251 146 D C 1.270 177.637 176.300 0.112 0.000 1.137 146 D CA 1.049 55.096 54.000 0.078 0.000 0.879 146 D CB 0.001 40.840 40.800 0.065 0.000 1.181 146 D HN 0.645 9.015 8.370 -0.000 0.000 0.448 147 G N 1.517 110.370 108.800 0.087 0.000 2.176 147 G HA2 0.101 4.061 3.960 -0.001 0.000 0.253 147 G HA3 0.101 4.061 3.960 -0.001 0.000 0.253 147 G C 0.655 175.615 174.900 0.099 0.000 0.979 147 G CA 0.072 45.230 45.100 0.096 0.000 0.641 147 G HN 1.351 9.641 8.290 -0.000 0.000 0.530 148 G N -2.500 106.353 108.800 0.088 0.000 2.692 148 G HA2 0.155 4.115 3.960 -0.001 0.000 0.686 148 G HA3 0.155 4.115 3.960 -0.001 0.000 0.686 148 G C 0.743 175.709 174.900 0.110 0.000 1.243 148 G CA 0.035 45.182 45.100 0.078 0.000 0.782 148 G HN 1.273 9.563 8.290 -0.000 0.000 0.625 149 V N 1.025 120.989 119.914 0.083 0.000 2.282 149 V HA -0.184 3.936 4.120 -0.001 0.000 0.249 149 V C 2.738 178.933 176.094 0.167 0.000 1.057 149 V CA 2.866 65.232 62.300 0.111 0.000 1.032 149 V CB -0.418 31.445 31.823 0.066 0.000 0.645 149 V HN 0.771 8.961 8.190 -0.000 0.000 0.447 150 E N 0.025 120.292 120.200 0.112 0.000 2.107 150 E HA -0.100 4.249 4.350 -0.001 0.000 0.191 150 E C 2.334 178.999 176.600 0.107 0.000 0.982 150 E CA 1.397 57.852 56.400 0.091 0.000 0.809 150 E CB -0.557 29.174 29.700 0.052 0.000 0.756 150 E HN 0.581 8.941 8.360 -0.000 0.000 0.459 151 A N 0.840 123.736 122.820 0.128 0.000 1.898 151 A HA -0.156 4.163 4.320 -0.001 0.000 0.216 151 A C 2.092 179.771 177.584 0.158 0.000 1.181 151 A CA 1.119 53.232 52.037 0.127 0.000 0.620 151 A CB -0.825 18.253 19.000 0.130 0.000 0.819 151 A HN 0.271 8.421 8.150 -0.000 0.000 0.442 152 F N 0.565 120.553 119.950 0.063 0.000 2.126 152 F HA -0.156 4.370 4.527 -0.000 0.000 0.299 152 F C 1.758 177.575 175.800 0.028 0.000 1.096 152 F CA 1.878 59.910 58.000 0.052 0.000 1.255 152 F CB -0.176 38.852 39.000 0.048 0.000 0.997 152 F HN 0.133 8.433 8.300 -0.000 0.000 0.479 153 L N -0.509 120.765 121.223 0.086 0.000 2.418 153 L HA -0.021 4.319 4.340 -0.001 0.000 0.218 153 L C 0.105 176.978 176.870 0.006 0.000 1.125 153 L CA 0.352 55.197 54.840 0.008 0.000 0.835 153 L CB -0.504 41.615 42.059 0.099 0.000 0.953 153 L HN 0.005 8.235 8.230 -0.000 0.000 0.454 154 D N 0.264 120.679 120.400 0.025 0.000 2.393 154 D HA 0.240 4.879 4.640 -0.001 0.000 0.232 154 D C -0.006 176.335 176.300 0.068 0.000 1.192 154 D CA -0.340 53.703 54.000 0.072 0.000 0.882 154 D CB 0.495 41.330 40.800 0.058 0.000 1.038 154 D HN 0.252 8.622 8.370 -0.000 0.000 0.499 155 C N 1.238 120.619 119.300 0.135 0.000 3.832 155 C HA 0.992 5.452 4.460 -0.001 0.000 0.330 155 C C 0.148 175.144 174.990 0.010 0.000 4.417 155 C CA -0.092 58.925 59.018 -0.002 0.000 1.552 155 C CB 0.864 28.503 27.740 -0.169 0.000 5.028 155 C HN 0.442 8.672 8.230 -0.000 0.000 0.530 156 E N 0.810 120.960 120.200 -0.085 0.000 3.132 156 E HA 0.708 5.058 4.350 -0.001 0.000 0.241 156 E C -3.051 173.461 176.600 -0.147 0.000 1.196 156 E CA -1.298 55.055 56.400 -0.078 0.000 0.869 156 E CB 0.336 30.017 29.700 -0.032 0.000 1.387 156 E HN 0.733 9.093 8.360 -0.000 0.000 0.393 157 P HA 0.771 5.191 4.420 -0.000 0.000 0.281 157 P C -0.655 176.479 177.300 -0.276 0.000 1.281 157 P CA -0.766 62.102 63.100 -0.387 0.000 0.811 157 P CB 1.802 33.071 31.700 -0.717 0.000 1.154 158 L N 0.452 121.417 121.223 -0.429 0.000 2.472 158 L HA 0.615 4.954 4.340 -0.001 0.000 0.260 158 L C -1.948 174.768 176.870 -0.257 0.000 0.963 158 L CA -0.882 53.859 54.840 -0.164 0.000 0.829 158 L CB 1.943 43.978 42.059 -0.039 0.000 1.348 158 L HN 0.212 8.442 8.230 -0.000 0.000 0.408 159 L N 4.289 125.518 121.223 0.010 0.000 2.404 159 L HA 0.667 5.006 4.340 -0.001 0.000 0.272 159 L C -1.282 175.686 176.870 0.163 0.000 0.980 159 L CA -0.182 54.710 54.840 0.087 0.000 0.836 159 L CB 1.422 43.693 42.059 0.352 0.000 1.238 159 L HN 0.632 8.862 8.230 -0.000 0.000 0.408 160 R N 4.865 125.470 120.500 0.174 0.000 2.343 160 R HA 0.436 4.776 4.340 -0.001 0.000 0.320 160 R C -1.505 174.958 176.300 0.271 0.000 0.956 160 R CA -0.565 55.641 56.100 0.177 0.000 0.836 160 R CB 1.843 32.252 30.300 0.183 0.000 1.151 160 R HN 0.632 8.902 8.270 -0.000 0.000 0.450 161 F N 2.686 122.739 119.950 0.171 0.000 2.458 161 F HA 0.543 5.070 4.527 -0.001 0.000 0.330 161 F C -0.391 175.492 175.800 0.139 0.000 1.082 161 F CA -0.851 57.292 58.000 0.239 0.000 0.995 161 F CB 1.327 40.589 39.000 0.436 0.000 1.170 161 F HN 0.381 8.681 8.300 -0.000 0.000 0.478 162 R N 5.008 125.080 120.500 -0.714 0.000 2.522 162 R HA 0.357 4.697 4.340 -0.001 0.000 0.283 162 R C -2.600 173.315 176.300 -0.642 0.000 1.074 162 R CA -0.635 55.176 56.100 -0.481 0.000 0.925 162 R CB 0.993 31.145 30.300 -0.246 0.000 1.205 162 R HN 0.714 8.984 8.270 -0.000 0.000 0.436 163 Y N 5.217 125.152 120.300 -0.609 0.000 2.341 163 Y HA 0.527 5.077 4.550 -0.001 0.000 0.338 163 Y C -1.852 173.758 175.900 -0.483 0.000 0.965 163 Y CA -1.718 56.140 58.100 -0.402 0.000 1.108 163 Y CB 1.087 39.430 38.460 -0.195 0.000 1.180 163 Y HN 0.586 8.866 8.280 -0.000 0.000 0.458 164 F N 8.680 128.327 119.950 -0.505 0.000 2.293 164 F HA 0.441 4.967 4.527 -0.001 0.000 0.370 164 F C -1.985 173.347 175.800 -0.780 0.000 1.090 164 F CA -2.199 55.497 58.000 -0.507 0.000 1.133 164 F CB 0.627 39.499 39.000 -0.213 0.000 1.360 164 F HN 0.402 8.702 8.300 -0.000 0.000 0.489 165 P HA 0.014 4.434 4.420 -0.000 0.000 0.274 165 P C -0.677 176.539 177.300 -0.140 0.000 1.264 165 P CA -0.303 62.460 63.100 -0.562 0.000 0.795 165 P CB 0.883 32.384 31.700 -0.332 0.000 1.064 166 Q N -0.895 118.896 119.800 -0.016 0.000 2.227 166 Q HA 0.610 4.950 4.340 -0.001 0.000 0.245 166 Q C -0.835 175.183 176.000 0.030 0.000 0.926 166 Q CA -0.692 55.125 55.803 0.023 0.000 0.895 166 Q CB 1.302 30.072 28.738 0.053 0.000 1.230 166 Q HN 0.182 8.452 8.270 -0.000 0.000 0.450 167 V N 0.229 120.157 119.914 0.022 0.000 3.265 167 V HA 0.621 4.740 4.120 -0.001 0.000 0.275 167 V C -2.513 173.588 176.094 0.011 0.000 1.684 167 V CA -0.356 61.957 62.300 0.022 0.000 1.032 167 V CB 2.289 34.127 31.823 0.026 0.000 1.250 167 V HN 0.753 8.943 8.190 -0.000 0.000 0.468 168 P HA 0.902 5.322 4.420 -0.000 0.000 0.214 168 P C -1.105 176.196 177.300 0.001 0.000 1.526 168 P CA 0.978 64.080 63.100 0.002 0.000 1.254 168 P CB 1.246 32.948 31.700 0.002 0.000 2.126 178 L N 2.885 124.105 121.223 -0.006 0.000 2.288 178 L HA 0.406 4.746 4.340 -0.001 0.000 0.283 178 L C 0.124 176.983 176.870 -0.019 0.000 1.072 178 L CA -0.497 54.336 54.840 -0.012 0.000 0.862 178 L CB 0.686 42.739 42.059 -0.011 0.000 1.245 178 L HN 0.213 8.443 8.230 -0.000 0.000 0.432 179 R N 4.582 125.065 120.500 -0.028 0.000 2.413 179 R HA 0.246 4.586 4.340 -0.001 0.000 0.333 179 R C 0.352 176.609 176.300 -0.072 0.000 1.074 179 R CA -0.346 55.722 56.100 -0.054 0.000 0.982 179 R CB -0.731 29.531 30.300 -0.064 0.000 0.981 179 R HN 0.758 9.028 8.270 -0.000 0.000 0.452 180 M N 2.064 121.621 119.600 -0.071 0.000 2.226 180 M HA 0.397 4.877 4.480 -0.001 0.000 0.324 180 M C 0.632 176.870 176.300 -0.103 0.000 1.112 180 M CA 0.416 55.670 55.300 -0.077 0.000 1.176 180 M CB 0.895 33.451 32.600 -0.074 0.000 1.430 180 M HN 0.753 9.043 8.290 -0.000 0.000 0.462 181 A N 3.481 126.259 122.820 -0.071 0.000 2.304 181 A HA 0.722 5.042 4.320 -0.001 0.000 0.301 181 A C -2.408 175.197 177.584 0.035 0.000 1.132 181 A CA -1.574 50.445 52.037 -0.031 0.000 0.819 181 A CB -0.502 18.495 19.000 -0.005 0.000 1.094 181 A HN 0.597 8.747 8.150 -0.000 0.000 0.492 182 P HA 0.148 4.568 4.420 -0.000 0.000 0.263 182 P C -0.664 176.706 177.300 0.117 0.000 1.175 182 P CA 0.808 64.008 63.100 0.167 0.000 0.761 182 P CB 0.203 32.036 31.700 0.222 0.000 0.794 183 H N 0.789 119.700 119.070 -0.265 0.000 2.894 183 H HA 0.488 5.043 4.556 -0.001 0.000 0.368 183 H C -0.712 174.355 175.328 -0.435 0.000 1.181 183 H CA -1.041 54.784 56.048 -0.370 0.000 1.146 183 H CB 0.433 29.945 29.762 -0.417 0.000 1.839 183 H HN 0.437 8.717 8.280 -0.000 0.000 0.557 184 Y N -0.696 119.453 120.300 -0.251 0.000 2.488 184 Y HA 0.586 5.135 4.550 -0.000 0.000 0.325 184 Y C -0.769 175.027 175.900 -0.172 0.000 1.204 184 Y CA -1.217 56.742 58.100 -0.235 0.000 1.229 184 Y CB 0.662 39.050 38.460 -0.121 0.000 1.274 184 Y HN 0.364 8.644 8.280 -0.000 0.000 0.493 185 D N 1.120 121.608 120.400 0.145 0.000 2.217 185 D HA 0.314 4.953 4.640 -0.001 0.000 0.248 185 D C -0.979 175.373 176.300 0.086 0.000 1.008 185 D CA -0.403 53.678 54.000 0.135 0.000 0.914 185 D CB 1.845 42.849 40.800 0.340 0.000 1.182 185 D HN 0.496 8.866 8.370 -0.000 0.000 0.451 186 L N 1.973 123.177 121.223 -0.033 0.000 2.598 186 L HA 0.259 4.599 4.340 -0.001 0.000 0.241 186 L C -0.224 176.664 176.870 0.029 0.000 1.244 186 L CA 0.026 54.826 54.840 -0.067 0.000 1.198 186 L CB -0.929 40.993 42.059 -0.229 0.000 1.448 186 L HN 0.380 8.610 8.230 -0.000 0.000 0.406 187 S N -0.489 115.243 115.700 0.054 0.000 2.570 187 S HA 0.444 4.914 4.470 -0.001 0.000 0.270 187 S C 0.535 175.149 174.600 0.025 0.000 1.149 187 S CA -0.849 57.379 58.200 0.046 0.000 0.837 187 S CB 1.422 64.744 63.200 0.203 0.000 1.124 187 S HN 0.182 8.492 8.310 -0.000 0.000 0.465 188 M N 2.191 121.780 119.600 -0.019 0.000 2.066 188 M HA 0.131 4.611 4.480 -0.001 0.000 0.259 188 M C 0.483 176.834 176.300 0.086 0.000 1.074 188 M CA 2.432 57.763 55.300 0.051 0.000 1.114 188 M CB -0.472 32.170 32.600 0.069 0.000 1.306 188 M HN 1.117 9.407 8.290 -0.000 0.000 0.411 189 V N -3.822 116.140 119.914 0.081 0.000 3.130 189 V HA 0.780 4.900 4.120 -0.001 0.000 0.310 189 V C -0.797 175.331 176.094 0.056 0.000 1.158 189 V CA -0.649 61.694 62.300 0.071 0.000 1.029 189 V CB 1.750 33.607 31.823 0.058 0.000 1.057 189 V HN 0.228 8.418 8.190 -0.000 0.000 0.436 190 T N 3.558 118.105 114.554 -0.012 0.000 2.886 190 T HA 0.701 5.051 4.350 -0.001 0.000 0.292 190 T C -0.804 173.742 174.700 -0.256 0.000 1.012 190 T CA -0.427 61.596 62.100 -0.128 0.000 0.982 190 T CB 1.357 70.161 68.868 -0.107 0.000 1.018 190 T HN 0.747 8.987 8.240 -0.000 0.000 0.451 191 L N 3.913 124.988 121.223 -0.246 0.000 2.341 191 L HA 0.648 4.988 4.340 -0.001 0.000 0.278 191 L C -0.772 175.920 176.870 -0.296 0.000 1.005 191 L CA -1.192 53.478 54.840 -0.283 0.000 0.818 191 L CB 1.450 43.380 42.059 -0.214 0.000 1.259 191 L HN 0.409 8.639 8.230 -0.000 0.000 0.418 192 I N 2.585 122.949 120.570 -0.343 0.000 2.436 192 I HA 0.439 4.608 4.170 -0.001 0.000 0.289 192 I C -0.397 175.635 176.117 -0.140 0.000 1.010 192 I CA -0.463 60.677 61.300 -0.268 0.000 1.098 192 I CB 1.806 39.565 38.000 -0.403 0.000 1.266 192 I HN 0.704 8.914 8.210 -0.000 0.000 0.434 193 Q N 5.582 125.369 119.800 -0.022 0.000 2.353 193 Q HA 0.569 4.909 4.340 -0.001 0.000 0.268 193 Q C -0.947 175.103 176.000 0.083 0.000 1.045 193 Q CA -0.812 55.030 55.803 0.064 0.000 0.811 193 Q CB 3.221 32.031 28.738 0.119 0.000 1.305 193 Q HN 0.605 8.875 8.270 -0.000 0.000 0.447 194 Q N -0.133 119.731 119.800 0.108 0.000 2.389 194 Q HA 0.570 4.910 4.340 -0.001 0.000 0.277 194 Q C -0.887 175.090 176.000 -0.039 0.000 1.082 194 Q CA -0.969 54.870 55.803 0.061 0.000 0.810 194 Q CB 1.816 30.584 28.738 0.050 0.000 1.374 194 Q HN 0.622 8.892 8.270 -0.000 0.000 0.422 195 T N -0.568 113.931 114.554 -0.091 0.000 2.913 195 T HA 0.587 4.936 4.350 -0.001 0.000 0.287 195 T C -2.154 172.422 174.700 -0.206 0.000 1.008 195 T CA -1.393 60.543 62.100 -0.274 0.000 1.067 195 T CB 0.939 69.734 68.868 -0.120 0.000 0.996 195 T HN 0.489 8.729 8.240 -0.000 0.000 0.513 196 P HA 0.375 4.795 4.420 -0.000 0.000 0.278 196 P C -0.616 176.682 177.300 -0.003 0.000 1.266 196 P CA -0.795 62.267 63.100 -0.064 0.000 0.807 196 P CB 0.581 32.294 31.700 0.021 0.000 1.094 197 C N 0.500 119.827 119.300 0.045 0.000 2.369 197 C HA 0.428 4.887 4.460 -0.001 0.000 0.358 197 C C 2.262 177.296 174.990 0.074 0.000 1.274 197 C CA 0.311 59.374 59.018 0.076 0.000 1.935 197 C CB -0.056 27.762 27.740 0.129 0.000 2.431 197 C HN 0.716 8.946 8.230 -0.000 0.000 0.545 198 A N 3.246 126.107 122.820 0.067 0.000 1.958 198 A HA -0.225 4.094 4.320 -0.001 0.000 0.221 198 A C 1.751 179.374 177.584 0.066 0.000 1.178 198 A CA 2.250 54.323 52.037 0.060 0.000 0.642 198 A CB -0.714 18.319 19.000 0.054 0.000 0.816 198 A HN 1.000 9.149 8.150 -0.000 0.000 0.453 199 N N -1.856 116.891 118.700 0.079 0.000 2.313 199 N HA 0.317 5.057 4.740 -0.001 0.000 0.207 199 N C 0.915 176.491 175.510 0.110 0.000 1.141 199 N CA 0.658 53.757 53.050 0.081 0.000 0.830 199 N CB 0.057 38.584 38.487 0.066 0.000 1.008 199 N HN 0.565 8.945 8.380 -0.000 0.000 0.481 200 G N 0.660 109.526 108.800 0.110 0.000 2.168 200 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.263 200 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.263 200 G C -0.245 174.735 174.900 0.133 0.000 0.977 200 G CA 0.141 45.303 45.100 0.103 0.000 0.659 200 G HN 0.527 8.817 8.290 -0.000 0.000 0.533 201 F N 2.015 121.971 119.950 0.011 0.000 2.471 201 F HA 0.539 5.066 4.527 -0.001 0.000 0.365 201 F C 0.423 176.221 175.800 -0.002 0.000 1.095 201 F CA -1.122 56.878 58.000 -0.000 0.000 1.174 201 F CB 1.059 40.048 39.000 -0.018 0.000 1.105 201 F HN 0.010 8.310 8.300 -0.000 0.000 0.535 202 V N 7.273 126.768 119.914 -0.698 0.000 2.353 202 V HA 0.090 4.210 4.120 -0.001 0.000 0.264 202 V C 0.899 176.326 176.094 -1.113 0.000 1.049 202 V CA 0.362 62.266 62.300 -0.661 0.000 0.896 202 V CB 0.563 32.206 31.823 -0.300 0.000 1.025 202 V HN 0.924 9.114 8.190 -0.000 0.000 0.475 203 S N 5.084 120.202 115.700 -0.970 0.000 2.603 203 S HA 0.150 4.620 4.470 -0.001 0.000 0.220 203 S C 0.185 174.602 174.600 -0.305 0.000 0.967 203 S CA 0.159 57.960 58.200 -0.664 0.000 0.920 203 S CB -0.055 62.947 63.200 -0.329 0.000 0.773 203 S HN 0.443 8.753 8.310 -0.000 0.000 0.529 204 L N 1.962 123.021 121.223 -0.273 0.000 2.349 204 L HA 0.605 4.945 4.340 -0.001 0.000 0.278 204 L C -0.922 175.825 176.870 -0.204 0.000 0.996 204 L CA -0.330 54.407 54.840 -0.172 0.000 0.825 204 L CB 1.674 43.680 42.059 -0.088 0.000 1.243 204 L HN 0.225 8.455 8.230 -0.000 0.000 0.412 205 Q N 3.061 122.664 119.800 -0.328 0.000 2.359 205 Q HA 0.891 5.230 4.340 -0.001 0.000 0.274 205 Q C -1.454 174.328 176.000 -0.363 0.000 1.074 205 Q CA -0.820 54.741 55.803 -0.404 0.000 0.810 205 Q CB 2.702 31.004 28.738 -0.727 0.000 1.342 205 Q HN 0.850 9.120 8.270 -0.000 0.000 0.427 206 A N 1.066 123.793 122.820 -0.155 0.000 2.530 206 A HA 0.620 4.940 4.320 -0.001 0.000 0.288 206 A C -1.245 176.433 177.584 0.156 0.000 1.172 206 A CA -0.643 51.365 52.037 -0.049 0.000 0.733 206 A CB 1.722 20.677 19.000 -0.075 0.000 1.320 206 A HN 0.464 8.614 8.150 -0.000 0.000 0.419 207 E N 0.274 120.600 120.200 0.210 0.000 2.089 207 E HA 0.483 4.833 4.350 -0.001 0.000 0.284 207 E C -0.917 175.762 176.600 0.132 0.000 1.023 207 E CA -0.473 56.076 56.400 0.247 0.000 0.819 207 E CB 1.117 30.952 29.700 0.226 0.000 1.076 207 E HN 0.653 9.013 8.360 -0.000 0.000 0.396 208 V N 1.199 121.186 119.914 0.123 0.000 2.378 208 V HA 0.678 4.798 4.120 -0.001 0.000 0.288 208 V C 1.173 177.310 176.094 0.071 0.000 1.016 208 V CA -0.421 61.934 62.300 0.091 0.000 0.840 208 V CB 1.201 33.081 31.823 0.096 0.000 0.994 208 V HN 1.048 9.238 8.190 -0.000 0.000 0.431 209 G N 3.530 112.364 108.800 0.057 0.000 2.393 209 G HA2 0.089 4.048 3.960 -0.001 0.000 0.299 209 G HA3 0.089 4.048 3.960 -0.001 0.000 0.299 209 G C 1.166 176.082 174.900 0.027 0.000 0.990 209 G CA 0.590 45.714 45.100 0.039 0.000 1.118 209 G HN 2.416 10.706 8.290 -0.000 0.000 0.513 210 G N -2.273 106.539 108.800 0.021 0.000 2.166 210 G HA2 0.206 4.165 3.960 -0.001 0.000 0.260 210 G HA3 0.206 4.165 3.960 -0.001 0.000 0.260 210 G C 0.606 175.483 174.900 -0.039 0.000 0.986 210 G CA 1.336 46.429 45.100 -0.011 0.000 0.683 210 G HN 2.442 10.732 8.290 -0.000 0.000 0.527 211 A N -0.876 121.943 122.820 -0.001 0.000 2.469 211 A HA 0.811 5.131 4.320 -0.001 0.000 0.299 211 A C -0.554 177.106 177.584 0.125 0.000 1.098 211 A CA -0.837 51.194 52.037 -0.009 0.000 0.737 211 A CB 1.042 20.058 19.000 0.027 0.000 1.312 211 A HN 0.569 8.719 8.150 -0.000 0.000 0.414 212 F N 1.566 121.548 119.950 0.052 0.000 2.472 212 F HA 0.441 4.967 4.527 -0.001 0.000 0.364 212 F C 0.827 176.649 175.800 0.037 0.000 1.090 212 F CA -0.040 57.992 58.000 0.052 0.000 1.188 212 F CB 0.958 40.010 39.000 0.085 0.000 1.105 212 F HN 0.414 8.714 8.300 -0.000 0.000 0.536 213 T N 3.340 118.021 114.554 0.211 0.000 2.823 213 T HA 0.316 4.666 4.350 -0.001 0.000 0.279 213 T C -0.677 174.055 174.700 0.054 0.000 0.998 213 T CA -0.821 61.350 62.100 0.117 0.000 0.994 213 T CB 1.277 70.210 68.868 0.107 0.000 0.960 213 T HN 0.263 8.503 8.240 -0.000 0.000 0.448 214 D N 1.552 121.974 120.400 0.036 0.000 2.341 214 D HA 0.414 5.053 4.640 -0.001 0.000 0.245 214 D C -0.313 176.005 176.300 0.030 0.000 1.106 214 D CA -0.113 53.880 54.000 -0.011 0.000 0.905 214 D CB 0.672 41.457 40.800 -0.026 0.000 1.202 214 D HN 0.302 8.672 8.370 -0.000 0.000 0.426 215 L N 3.358 124.589 121.223 0.014 0.000 2.457 215 L HA 0.355 4.695 4.340 -0.001 0.000 0.252 215 L C -2.269 174.655 176.870 0.089 0.000 1.132 215 L CA -1.663 53.232 54.840 0.091 0.000 0.938 215 L CB 0.994 43.066 42.059 0.020 0.000 1.246 215 L HN 0.196 8.426 8.230 -0.000 0.000 0.476 216 P HA -0.040 4.380 4.420 -0.000 0.000 0.274 216 P C -0.631 176.782 177.300 0.188 0.000 1.256 216 P CA -0.401 62.755 63.100 0.093 0.000 0.795 216 P CB 0.701 32.425 31.700 0.039 0.000 1.038 217 Y N 1.701 122.025 120.300 0.039 0.000 2.810 217 Y HA 0.003 4.553 4.550 -0.001 0.000 0.332 217 Y C 0.425 176.338 175.900 0.023 0.000 1.243 217 Y CA 0.474 58.603 58.100 0.048 0.000 1.537 217 Y CB 0.093 38.566 38.460 0.022 0.000 1.265 217 Y HN 0.314 8.594 8.280 -0.000 0.000 0.572 218 R N 7.570 127.825 120.500 -0.410 0.000 2.561 218 R HA 0.451 4.790 4.340 -0.001 0.000 0.297 218 R C -2.831 173.020 176.300 -0.748 0.000 0.969 218 R CA -2.365 53.361 56.100 -0.623 0.000 0.879 218 R CB 1.466 31.444 30.300 -0.536 0.000 1.178 218 R HN 0.455 8.725 8.270 -0.000 0.000 0.445 219 P HA -0.099 4.321 4.420 -0.000 0.000 0.258 219 P C -0.921 176.271 177.300 -0.181 0.000 1.172 219 P CA 0.772 63.632 63.100 -0.400 0.000 0.762 219 P CB 0.318 31.870 31.700 -0.248 0.000 0.764 220 D N -0.049 120.317 120.400 -0.057 0.000 2.860 220 D HA -0.228 4.411 4.640 -0.001 0.000 0.229 220 D C 0.196 176.491 176.300 -0.008 0.000 1.169 220 D CA 1.398 55.394 54.000 -0.006 0.000 0.737 220 D CB -0.911 39.882 40.800 -0.012 0.000 1.080 220 D HN 0.479 8.849 8.370 -0.000 0.000 0.424 221 A N -0.252 122.562 122.820 -0.011 0.000 2.330 221 A HA 0.742 5.061 4.320 -0.001 0.000 0.329 221 A C -0.383 177.269 177.584 0.113 0.000 1.135 221 A CA -0.524 51.549 52.037 0.061 0.000 0.817 221 A CB 2.766 21.805 19.000 0.065 0.000 1.269 221 A HN 0.185 8.335 8.150 -0.000 0.000 0.469 222 V N 2.380 122.355 119.914 0.102 0.000 2.656 222 V HA 0.582 4.702 4.120 -0.001 0.000 0.307 222 V C -1.112 174.916 176.094 -0.109 0.000 1.051 222 V CA -0.772 61.533 62.300 0.008 0.000 0.893 222 V CB 1.534 33.327 31.823 -0.050 0.000 0.999 222 V HN 0.972 9.162 8.190 -0.000 0.000 0.426 223 L N 7.287 128.324 121.223 -0.310 0.000 2.349 223 L HA 0.601 4.941 4.340 -0.001 0.000 0.275 223 L C -0.499 175.985 176.870 -0.643 0.000 1.115 223 L CA 0.501 54.946 54.840 -0.659 0.000 0.820 223 L CB 1.457 43.038 42.059 -0.796 0.000 1.135 223 L HN 0.506 8.736 8.230 -0.000 0.000 0.445 224 V N 6.353 125.836 119.914 -0.717 0.000 2.409 224 V HA 0.376 4.495 4.120 -0.001 0.000 0.290 224 V C -0.274 175.476 176.094 -0.573 0.000 1.017 224 V CA -0.527 61.344 62.300 -0.714 0.000 0.841 224 V CB 0.957 32.231 31.823 -0.915 0.000 1.003 224 V HN 0.524 8.714 8.190 -0.000 0.000 0.426 225 F N 2.410 122.124 119.950 -0.393 0.000 2.394 225 F HA 0.402 4.929 4.527 -0.001 0.000 0.340 225 F C 0.908 176.603 175.800 -0.175 0.000 1.105 225 F CA -0.710 57.122 58.000 -0.281 0.000 1.124 225 F CB 1.083 39.913 39.000 -0.284 0.000 1.145 225 F HN 0.389 8.689 8.300 -0.000 0.000 0.505 226 C N 2.208 121.577 119.300 0.115 0.000 2.595 226 C HA 0.661 5.120 4.460 -0.001 0.000 0.384 226 C C 0.931 175.995 174.990 0.123 0.000 1.289 226 C CA -0.318 58.767 59.018 0.111 0.000 2.372 226 C CB 0.382 28.191 27.740 0.115 0.000 2.593 226 C HN 0.977 9.207 8.230 -0.000 0.000 0.639 227 G N -0.132 108.734 108.800 0.110 0.000 2.714 227 G HA2 0.551 4.511 3.960 -0.001 0.000 0.292 227 G HA3 0.551 4.511 3.960 -0.001 0.000 0.292 227 G C 0.636 175.562 174.900 0.042 0.000 1.308 227 G CA 0.164 45.322 45.100 0.096 0.000 0.964 227 G HN 0.993 9.283 8.290 -0.000 0.000 0.484 228 A N -0.039 122.743 122.820 -0.063 0.000 1.929 228 A HA -0.181 4.139 4.320 -0.001 0.000 0.221 228 A C 2.206 179.813 177.584 0.038 0.000 1.211 228 A CA 2.046 53.960 52.037 -0.204 0.000 0.657 228 A CB -0.523 18.258 19.000 -0.366 0.000 0.827 228 A HN 0.515 8.665 8.150 -0.000 0.000 0.462 229 I N -0.654 119.948 120.570 0.053 0.000 2.493 229 I HA -0.175 3.994 4.170 -0.001 0.000 0.254 229 I C 2.824 178.999 176.117 0.097 0.000 1.160 229 I CA 1.198 62.541 61.300 0.072 0.000 1.445 229 I CB -1.729 36.249 38.000 -0.036 0.000 1.086 229 I HN 0.399 8.609 8.210 -0.000 0.000 0.433 230 A N 1.072 123.949 122.820 0.094 0.000 1.841 230 A HA -0.174 4.146 4.320 -0.001 0.000 0.214 230 A C 2.447 180.090 177.584 0.098 0.000 1.195 230 A CA 2.377 54.471 52.037 0.095 0.000 0.611 230 A CB -1.133 17.925 19.000 0.096 0.000 0.835 230 A HN 0.366 8.516 8.150 -0.000 0.000 0.443 231 T N 1.099 115.728 114.554 0.124 0.000 2.597 231 T HA -0.212 4.137 4.350 -0.001 0.000 0.267 231 T C 1.839 176.628 174.700 0.148 0.000 1.053 231 T CA 1.743 63.931 62.100 0.147 0.000 1.165 231 T CB -0.615 68.406 68.868 0.255 0.000 0.863 231 T HN 0.344 8.584 8.240 -0.000 0.000 0.427 232 L N 0.351 121.688 121.223 0.191 0.000 1.989 232 L HA -0.095 4.245 4.340 -0.001 0.000 0.211 232 L C 2.770 179.764 176.870 0.207 0.000 1.071 232 L CA 1.306 56.271 54.840 0.208 0.000 0.749 232 L CB -0.938 41.266 42.059 0.242 0.000 0.890 232 L HN 0.167 8.397 8.230 -0.000 0.000 0.431 233 V N 0.187 120.213 119.914 0.187 0.000 2.515 233 V HA -0.179 3.940 4.120 -0.001 0.000 0.250 233 V C 2.270 178.386 176.094 0.037 0.000 1.058 233 V CA 2.121 64.493 62.300 0.121 0.000 1.064 233 V CB -0.311 31.470 31.823 -0.071 0.000 0.675 233 V HN 0.695 8.885 8.190 -0.000 0.000 0.461 234 T N -2.582 111.993 114.554 0.036 0.000 3.278 234 T HA 0.312 4.662 4.350 -0.001 0.000 0.251 234 T C 1.396 176.113 174.700 0.028 0.000 1.039 234 T CA 0.513 62.623 62.100 0.017 0.000 0.935 234 T CB -0.028 68.847 68.868 0.012 0.000 1.034 234 T HN 1.075 9.315 8.240 -0.000 0.000 0.575 235 G N 0.606 109.436 108.800 0.049 0.000 2.187 235 G HA2 0.011 3.971 3.960 -0.001 0.000 0.261 235 G HA3 0.011 3.971 3.960 -0.001 0.000 0.261 235 G C 0.988 175.907 174.900 0.032 0.000 1.000 235 G CA 0.332 45.458 45.100 0.043 0.000 0.718 235 G HN 1.857 10.147 8.290 -0.000 0.000 0.519 236 G N -1.822 106.999 108.800 0.036 0.000 2.192 236 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.193 236 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.193 236 G C 0.742 175.648 174.900 0.011 0.000 0.999 236 G CA 1.041 46.152 45.100 0.019 0.000 0.659 236 G HN 0.758 9.048 8.290 -0.000 0.000 0.503 237 Q N -0.490 119.316 119.800 0.011 0.000 2.369 237 Q HA 0.250 4.590 4.340 -0.001 0.000 0.206 237 Q C 0.541 176.536 176.000 -0.008 0.000 0.963 237 Q CA 1.049 56.850 55.803 -0.004 0.000 0.894 237 Q CB 0.317 29.049 28.738 -0.011 0.000 0.965 237 Q HN 0.423 8.693 8.270 -0.000 0.000 0.475 238 V N 1.182 121.103 119.914 0.012 0.000 2.540 238 V HA 0.213 4.332 4.120 -0.001 0.000 0.302 238 V C -0.370 175.753 176.094 0.048 0.000 1.035 238 V CA -0.914 61.397 62.300 0.018 0.000 0.873 238 V CB 1.791 33.632 31.823 0.031 0.000 0.992 238 V HN 0.009 8.199 8.190 -0.000 0.000 0.428 239 K N 3.358 123.785 120.400 0.045 0.000 2.202 239 K HA 0.685 5.005 4.320 -0.001 0.000 0.264 239 K C -0.131 176.523 176.600 0.089 0.000 1.010 239 K CA -0.124 56.202 56.287 0.065 0.000 0.940 239 K CB 1.177 33.707 32.500 0.050 0.000 0.983 239 K HN 0.844 9.094 8.250 -0.000 0.000 0.475 240 A N 5.573 128.462 122.820 0.115 0.000 2.431 240 A HA 0.371 4.690 4.320 -0.001 0.000 0.318 240 A C -2.461 175.181 177.584 0.096 0.000 1.330 240 A CA -1.689 50.411 52.037 0.105 0.000 0.804 240 A CB 0.259 19.317 19.000 0.096 0.000 1.135 240 A HN 0.634 8.784 8.150 -0.000 0.000 0.483 241 P HA 0.139 4.559 4.420 -0.000 0.000 0.268 241 P C -0.403 176.913 177.300 0.026 0.000 1.204 241 P CA 0.006 63.109 63.100 0.006 0.000 0.768 241 P CB 0.687 32.328 31.700 -0.097 0.000 0.842 242 R N 2.934 123.476 120.500 0.070 0.000 2.491 242 R HA 0.256 4.596 4.340 -0.001 0.000 0.283 242 R C 0.782 177.054 176.300 -0.046 0.000 1.072 242 R CA 0.117 56.232 56.100 0.025 0.000 1.048 242 R CB 0.136 30.516 30.300 0.134 0.000 0.983 242 R HN 0.724 8.994 8.270 -0.000 0.000 0.450 243 H N 0.368 119.293 119.070 -0.242 0.000 3.008 243 H HA 0.430 4.985 4.556 -0.001 0.000 0.354 243 H C -1.200 174.076 175.328 -0.087 0.000 1.252 243 H CA -1.135 54.745 56.048 -0.281 0.000 1.117 243 H CB 1.692 31.148 29.762 -0.511 0.000 1.857 243 H HN 0.859 9.139 8.280 -0.000 0.000 0.547 244 H N -1.293 117.767 119.070 -0.017 0.000 3.012 244 H HA 0.567 5.122 4.556 -0.001 0.000 0.367 244 H C -1.771 173.592 175.328 0.058 0.000 1.211 244 H CA -1.013 55.063 56.048 0.045 0.000 1.139 244 H CB 1.318 31.047 29.762 -0.055 0.000 1.838 244 H HN 0.429 8.709 8.280 -0.000 0.000 0.550 245 V N 1.893 121.961 119.914 0.257 0.000 2.320 245 V HA 0.572 4.691 4.120 -0.001 0.000 0.265 245 V C 0.684 176.917 176.094 0.230 0.000 1.048 245 V CA -0.252 62.144 62.300 0.159 0.000 0.865 245 V CB 0.155 32.060 31.823 0.138 0.000 1.043 245 V HN 1.033 9.223 8.190 -0.000 0.000 0.474 246 A N 4.746 127.715 122.820 0.248 0.000 2.484 246 A HA 0.666 4.986 4.320 -0.001 0.000 0.268 246 A C 0.875 178.583 177.584 0.207 0.000 1.114 246 A CA 0.286 52.472 52.037 0.247 0.000 0.780 246 A CB 0.068 19.245 19.000 0.295 0.000 1.061 246 A HN 1.220 9.370 8.150 -0.000 0.000 0.505 247 A N 4.716 127.612 122.820 0.127 0.000 2.346 247 A HA 0.635 4.955 4.320 -0.001 0.000 0.252 247 A C -1.997 175.619 177.584 0.055 0.000 1.089 247 A CA -1.036 51.040 52.037 0.065 0.000 0.797 247 A CB -0.335 18.669 19.000 0.006 0.000 1.047 247 A HN 0.706 8.856 8.150 -0.000 0.000 0.494 248 P HA 0.468 4.888 4.420 -0.000 0.000 0.284 248 P C -0.413 176.735 177.300 -0.254 0.000 1.258 248 P CA -0.556 62.259 63.100 -0.474 0.000 0.824 248 P CB 1.073 32.365 31.700 -0.679 0.000 1.038 249 R N 0.248 120.601 120.500 -0.245 0.000 2.584 249 R HA 0.547 4.887 4.340 -0.001 0.000 0.253 249 R C 1.431 177.655 176.300 -0.126 0.000 1.251 249 R CA -0.314 55.703 56.100 -0.137 0.000 1.129 249 R CB 0.038 30.279 30.300 -0.097 0.000 1.239 249 R HN 0.395 8.665 8.270 -0.000 0.000 0.595 250 R N 1.651 122.102 120.500 -0.081 0.000 2.823 250 R HA -0.001 4.338 4.340 -0.001 0.000 0.250 250 R C -0.004 176.259 176.300 -0.062 0.000 1.332 250 R CA 1.167 57.229 56.100 -0.064 0.000 1.259 250 R CB -1.321 28.954 30.300 -0.041 0.000 1.225 250 R HN 0.794 9.064 8.270 -0.000 0.000 0.545 251 D N -2.668 117.681 120.400 -0.084 0.000 2.345 251 D HA -0.127 4.512 4.640 -0.001 0.000 0.290 251 D C 0.581 176.829 176.300 -0.086 0.000 1.107 251 D CA 0.372 54.330 54.000 -0.071 0.000 0.836 251 D CB -0.196 40.568 40.800 -0.060 0.000 1.406 251 D HN 0.579 8.949 8.370 -0.000 0.000 0.532 252 Q N 0.925 120.642 119.800 -0.139 0.000 2.318 252 Q HA 0.463 4.803 4.340 -0.001 0.000 0.371 252 Q C 0.387 176.285 176.000 -0.169 0.000 0.896 252 Q CA -0.206 55.500 55.803 -0.161 0.000 1.134 252 Q CB 0.549 29.137 28.738 -0.250 0.000 1.329 252 Q HN 0.155 8.425 8.270 -0.000 0.000 0.413 253 I N -0.191 120.315 120.570 -0.106 0.000 4.139 253 I HA 0.264 4.433 4.170 -0.001 0.000 0.335 253 I C 0.677 176.774 176.117 -0.033 0.000 1.327 253 I CA -0.527 60.727 61.300 -0.078 0.000 1.112 253 I CB 0.720 38.678 38.000 -0.070 0.000 1.058 253 I HN 0.316 8.526 8.210 -0.000 0.000 0.396 254 A N 1.954 124.760 122.820 -0.024 0.000 2.496 254 A HA 0.405 4.725 4.320 -0.001 0.000 0.278 254 A C 1.279 178.868 177.584 0.009 0.000 1.137 254 A CA 0.808 52.844 52.037 -0.003 0.000 0.805 254 A CB -1.035 17.964 19.000 -0.001 0.000 1.077 254 A HN 0.704 8.854 8.150 -0.000 0.000 0.513 255 G N 2.186 110.999 108.800 0.021 0.000 2.385 255 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.294 255 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.294 255 G C 0.415 175.342 174.900 0.045 0.000 1.070 255 G CA 0.620 45.743 45.100 0.037 0.000 1.172 255 G HN 2.211 10.501 8.290 -0.000 0.000 0.516 256 S N -1.577 114.146 115.700 0.039 0.000 2.937 256 S HA 0.594 5.064 4.470 -0.001 0.000 0.252 256 S C 0.623 175.256 174.600 0.054 0.000 1.022 256 S CA 0.784 59.016 58.200 0.052 0.000 1.079 256 S CB 0.794 63.997 63.200 0.005 0.000 1.035 256 S HN 1.285 9.595 8.310 -0.000 0.000 0.594 257 S N 2.779 118.517 115.700 0.064 0.000 2.558 257 S HA 0.438 4.908 4.470 -0.001 0.000 0.288 257 S C 0.143 174.817 174.600 0.124 0.000 1.318 257 S CA -0.235 58.018 58.200 0.088 0.000 1.056 257 S CB 0.126 63.403 63.200 0.128 0.000 0.853 257 S HN 0.835 9.145 8.310 -0.000 0.000 0.505 258 R N 1.203 121.805 120.500 0.171 0.000 2.728 258 R HA 0.614 4.953 4.340 -0.001 0.000 0.274 258 R C -1.529 174.936 176.300 0.276 0.000 1.030 258 R CA -0.942 55.262 56.100 0.174 0.000 0.876 258 R CB 0.795 31.148 30.300 0.088 0.000 1.259 258 R HN 0.614 8.884 8.270 -0.000 0.000 0.468 259 T N -1.619 113.045 114.554 0.182 0.000 2.896 259 T HA 0.702 5.051 4.350 -0.001 0.000 0.297 259 T C -0.624 174.090 174.700 0.023 0.000 1.108 259 T CA -0.378 61.770 62.100 0.080 0.000 1.004 259 T CB 1.792 70.698 68.868 0.064 0.000 1.159 259 T HN 0.949 9.189 8.240 -0.000 0.000 0.499 260 S N 0.129 115.772 115.700 -0.095 0.000 2.588 260 S HA 0.787 5.257 4.470 -0.001 0.000 0.275 260 S C -0.896 173.693 174.600 -0.019 0.000 1.130 260 S CA -0.700 57.491 58.200 -0.016 0.000 0.855 260 S CB 1.718 64.935 63.200 0.029 0.000 1.116 260 S HN 1.451 9.761 8.310 -0.000 0.000 0.472 261 S N 1.151 116.927 115.700 0.127 0.000 2.756 261 S HA 0.632 5.101 4.470 -0.001 0.000 0.303 261 S C -1.426 173.239 174.600 0.109 0.000 1.135 261 S CA -0.495 57.877 58.200 0.287 0.000 1.066 261 S CB 0.519 64.005 63.200 0.476 0.000 1.008 261 S HN 0.875 9.185 8.310 -0.000 0.000 0.482 262 V N 5.755 125.695 119.914 0.043 0.000 2.487 262 V HA 0.624 4.744 4.120 -0.001 0.000 0.298 262 V C -0.971 174.961 176.094 -0.270 0.000 1.028 262 V CA -0.728 61.458 62.300 -0.189 0.000 0.860 262 V CB 1.434 33.105 31.823 -0.253 0.000 0.991 262 V HN 0.863 9.053 8.190 -0.000 0.000 0.427 263 F N 5.789 125.429 119.950 -0.516 0.000 2.445 263 F HA 0.689 5.216 4.527 -0.001 0.000 0.348 263 F C -1.058 174.451 175.800 -0.485 0.000 1.125 263 F CA -1.039 56.707 58.000 -0.423 0.000 0.983 263 F CB 1.131 39.927 39.000 -0.340 0.000 1.198 263 F HN 0.363 8.663 8.300 -0.000 0.000 0.436 264 F N 7.303 126.954 119.950 -0.498 0.000 2.350 264 F HA 0.355 4.882 4.527 -0.001 0.000 0.365 264 F C -0.269 175.287 175.800 -0.406 0.000 1.122 264 F CA -0.822 56.999 58.000 -0.298 0.000 1.139 264 F CB 1.167 40.033 39.000 -0.222 0.000 1.220 264 F HN 0.312 8.612 8.300 -0.000 0.000 0.499 265 L N 6.186 127.405 121.223 -0.007 0.000 2.385 265 L HA 0.344 4.683 4.340 -0.001 0.000 0.285 265 L C -0.097 176.710 176.870 -0.105 0.000 1.125 265 L CA 0.206 55.040 54.840 -0.010 0.000 0.890 265 L CB -0.406 41.735 42.059 0.136 0.000 1.251 265 L HN 0.475 8.705 8.230 -0.000 0.000 0.445 266 R N 6.225 126.604 120.500 -0.201 0.000 2.474 266 R HA 0.543 4.882 4.340 -0.001 0.000 0.295 266 R C -2.356 173.646 176.300 -0.496 0.000 0.980 266 R CA -1.842 54.045 56.100 -0.355 0.000 0.934 266 R CB 0.982 31.118 30.300 -0.274 0.000 1.101 266 R HN 0.434 8.704 8.270 -0.000 0.000 0.469 267 P HA -0.001 4.419 4.420 -0.000 0.000 0.274 267 P C -0.896 176.142 177.300 -0.436 0.000 1.256 267 P CA -0.482 62.196 63.100 -0.703 0.000 0.795 267 P CB 0.523 31.717 31.700 -0.843 0.000 1.038 268 N N 0.028 118.609 118.700 -0.198 0.000 2.458 268 N HA 0.020 4.760 4.740 -0.001 0.000 0.258 268 N C 1.619 177.220 175.510 0.150 0.000 1.219 268 N CA 0.167 53.218 53.050 0.002 0.000 0.902 268 N CB 0.511 39.032 38.487 0.057 0.000 1.076 268 N HN 0.435 8.815 8.380 -0.000 0.000 0.455 269 A N 2.590 125.550 122.820 0.234 0.000 1.940 269 A HA -0.258 4.062 4.320 -0.001 0.000 0.221 269 A C 1.550 179.336 177.584 0.336 0.000 1.190 269 A CA 2.134 54.389 52.037 0.363 0.000 0.647 269 A CB -0.553 18.593 19.000 0.243 0.000 0.821 269 A HN 0.881 9.031 8.150 -0.000 0.000 0.457 270 D N -1.576 118.967 120.400 0.239 0.000 2.392 270 D HA -0.078 4.562 4.640 -0.001 0.000 0.228 270 D C 0.655 177.100 176.300 0.242 0.000 1.003 270 D CA -0.098 54.022 54.000 0.200 0.000 0.917 270 D CB -0.435 40.450 40.800 0.142 0.000 0.890 270 D HN 0.427 8.797 8.370 -0.000 0.000 0.532 271 F N 3.024 123.095 119.950 0.202 0.000 2.496 271 F HA 0.239 4.765 4.527 -0.000 0.000 0.344 271 F C 0.394 176.372 175.800 0.296 0.000 1.155 271 F CA 0.107 58.254 58.000 0.245 0.000 1.302 271 F CB 1.021 40.170 39.000 0.249 0.000 1.159 271 F HN -0.082 8.218 8.300 -0.000 0.000 0.595 272 T N 3.414 117.395 114.554 -0.955 0.000 2.896 272 T HA 0.753 5.103 4.350 -0.001 0.000 0.297 272 T C -1.161 173.106 174.700 -0.723 0.000 1.108 272 T CA -0.707 60.993 62.100 -0.667 0.000 1.004 272 T CB 1.686 70.346 68.868 -0.347 0.000 1.159 272 T HN 0.865 9.105 8.240 -0.000 0.000 0.499 273 F N -0.753 118.959 119.950 -0.397 0.000 2.628 273 F HA 0.737 5.263 4.527 -0.001 0.000 0.309 273 F C -0.308 175.428 175.800 -0.107 0.000 1.108 273 F CA -1.180 56.708 58.000 -0.186 0.000 0.971 273 F CB 1.268 40.269 39.000 0.001 0.000 1.279 273 F HN 0.750 9.050 8.300 -0.000 0.000 0.441 274 S N 1.758 117.492 115.700 0.057 0.000 2.474 274 S HA 0.337 4.806 4.470 -0.001 0.000 0.276 274 S C 0.542 175.174 174.600 0.054 0.000 1.227 274 S CA -0.422 57.767 58.200 -0.018 0.000 1.050 274 S CB 1.140 64.341 63.200 0.001 0.000 0.939 274 S HN 0.705 9.015 8.310 -0.000 0.000 0.490 275 V N 4.926 124.820 119.914 -0.034 0.000 2.759 275 V HA -0.011 4.109 4.120 -0.001 0.000 0.256 275 V C -0.638 175.468 176.094 0.020 0.000 1.080 275 V CA 0.931 63.240 62.300 0.015 0.000 1.101 275 V CB -1.869 29.913 31.823 -0.068 0.000 0.698 275 V HN 0.657 8.847 8.190 -0.000 0.000 0.477 276 P HA -0.180 4.240 4.420 -0.000 0.000 0.214 276 P C 2.049 179.353 177.300 0.008 0.000 1.163 276 P CA 2.541 65.641 63.100 -0.001 0.000 0.889 276 P CB -0.214 31.482 31.700 -0.006 0.000 0.790 277 L N -0.695 120.546 121.223 0.029 0.000 2.131 277 L HA 0.052 4.392 4.340 -0.001 0.000 0.210 277 L C 2.503 179.388 176.870 0.026 0.000 1.092 277 L CA 2.553 57.411 54.840 0.031 0.000 0.759 277 L CB -2.325 39.770 42.059 0.060 0.000 0.903 277 L HN 0.127 8.357 8.230 -0.000 0.000 0.435 278 A N -0.190 122.675 122.820 0.074 0.000 1.873 278 A HA 0.006 4.326 4.320 -0.001 0.000 0.215 278 A C 2.736 180.307 177.584 -0.021 0.000 1.186 278 A CA 2.638 54.721 52.037 0.076 0.000 0.616 278 A CB -0.800 18.284 19.000 0.141 0.000 0.823 278 A HN 0.858 9.008 8.150 -0.000 0.000 0.442 279 R N -0.620 119.870 120.500 -0.016 0.000 2.115 279 R HA -0.024 4.315 4.340 -0.001 0.000 0.226 279 R C 1.987 178.225 176.300 -0.103 0.000 1.100 279 R CA 1.862 57.937 56.100 -0.042 0.000 0.980 279 R CB -1.703 28.591 30.300 -0.010 0.000 0.875 279 R HN 0.579 8.849 8.270 -0.000 0.000 0.445 280 E N -0.407 119.740 120.200 -0.089 0.000 2.352 280 E HA -0.208 4.142 4.350 -0.001 0.000 0.203 280 E C 1.828 178.323 176.600 -0.174 0.000 1.024 280 E CA 1.637 57.976 56.400 -0.102 0.000 0.842 280 E CB -1.101 28.558 29.700 -0.067 0.000 0.753 280 E HN 0.841 9.201 8.360 -0.000 0.000 0.508 281 C N -2.104 117.008 119.300 -0.315 0.000 2.520 281 C HA 0.611 5.070 4.460 -0.001 0.000 0.291 281 C C 1.887 176.556 174.990 -0.536 0.000 1.364 281 C CA 0.259 58.971 59.018 -0.510 0.000 1.781 281 C CB -0.020 27.148 27.740 -0.953 0.000 2.171 281 C HN 0.746 8.976 8.230 -0.000 0.000 0.516 282 G N 0.294 108.753 108.800 -0.569 0.000 2.511 282 G HA2 0.003 3.962 3.960 -0.001 0.000 0.205 282 G HA3 0.003 3.962 3.960 -0.001 0.000 0.205 282 G C -0.479 174.354 174.900 -0.110 0.000 1.098 282 G CA -0.671 44.265 45.100 -0.275 0.000 0.812 282 G HN 0.394 8.684 8.290 -0.000 0.000 0.497 283 F N -0.023 119.957 119.950 0.051 0.000 2.575 283 F HA 0.590 5.117 4.527 -0.001 0.000 0.330 283 F C 0.956 176.921 175.800 0.275 0.000 1.056 283 F CA -0.591 57.521 58.000 0.187 0.000 0.964 283 F CB 1.411 40.507 39.000 0.160 0.000 1.258 283 F HN 0.201 8.501 8.300 -0.000 0.000 0.484 284 D N 0.899 121.681 120.400 0.637 0.000 2.368 284 D HA 0.341 4.981 4.640 -0.001 0.000 0.268 284 D C -0.124 176.393 176.300 0.361 0.000 1.298 284 D CA -0.258 54.008 54.000 0.443 0.000 0.938 284 D CB 0.386 41.444 40.800 0.430 0.000 1.101 284 D HN 0.318 8.688 8.370 -0.000 0.000 0.509 285 V N 3.086 123.121 119.914 0.201 0.000 2.242 285 V HA 0.128 4.248 4.120 -0.001 0.000 0.242 285 V C 1.319 177.469 176.094 0.093 0.000 1.240 285 V CA 0.113 62.471 62.300 0.096 0.000 1.211 285 V CB 0.035 31.893 31.823 0.059 0.000 1.338 285 V HN 0.668 8.858 8.190 -0.000 0.000 0.499 286 S N 2.564 118.326 115.700 0.103 0.000 2.556 286 S HA 0.379 4.849 4.470 -0.001 0.000 0.216 286 S C 0.341 174.984 174.600 0.071 0.000 0.970 286 S CA 0.479 58.762 58.200 0.139 0.000 0.912 286 S CB 0.283 63.666 63.200 0.305 0.000 0.790 286 S HN 0.719 9.029 8.310 -0.000 0.000 0.504 287 L N 0.160 121.386 121.223 0.005 0.000 2.401 287 L HA 0.890 5.230 4.340 -0.001 0.000 0.266 287 L C -0.492 176.359 176.870 -0.032 0.000 0.991 287 L CA -0.346 54.484 54.840 -0.017 0.000 0.818 287 L CB 0.234 42.263 42.059 -0.050 0.000 1.321 287 L HN 0.136 8.366 8.230 -0.000 0.000 0.413 288 D N 1.212 121.597 120.400 -0.025 0.000 2.540 288 D HA 0.682 5.322 4.640 -0.001 0.000 0.251 288 D C 0.351 176.626 176.300 -0.042 0.000 1.159 288 D CA 0.479 54.462 54.000 -0.028 0.000 0.974 288 D CB 0.965 41.756 40.800 -0.014 0.000 0.996 288 D HN 1.627 9.997 8.370 -0.000 0.000 0.512 289 G N -1.839 106.924 108.800 -0.062 0.000 2.827 289 G HA2 0.640 4.600 3.960 -0.001 0.000 0.296 289 G HA3 0.640 4.600 3.960 -0.001 0.000 0.296 289 G C 0.602 175.450 174.900 -0.085 0.000 1.362 289 G CA 0.600 45.655 45.100 -0.075 0.000 0.809 289 G HN 0.533 8.823 8.290 -0.000 0.000 0.522 290 E N -1.649 118.494 120.200 -0.094 0.000 2.127 290 E HA 0.405 4.755 4.350 -0.001 0.000 0.191 290 E C 1.422 177.943 176.600 -0.131 0.000 0.964 290 E CA 1.713 58.058 56.400 -0.092 0.000 0.832 290 E CB -0.261 29.395 29.700 -0.073 0.000 0.790 290 E HN 1.251 9.611 8.360 -0.000 0.000 0.465 291 T N -4.528 109.918 114.554 -0.180 0.000 2.838 291 T HA 0.830 5.179 4.350 -0.001 0.000 0.292 291 T C -0.368 174.101 174.700 -0.384 0.000 1.113 291 T CA -0.199 61.726 62.100 -0.291 0.000 1.008 291 T CB 1.664 70.387 68.868 -0.242 0.000 1.259 291 T HN 1.188 9.428 8.240 -0.000 0.000 0.520 292 A N 0.440 122.878 122.820 -0.636 0.000 2.564 292 A HA 0.903 5.223 4.320 -0.001 0.000 0.291 292 A C -0.096 177.138 177.584 -0.584 0.000 1.102 292 A CA -0.355 51.330 52.037 -0.586 0.000 0.660 292 A CB 0.930 19.579 19.000 -0.585 0.000 1.283 292 A HN 1.692 9.842 8.150 -0.000 0.000 0.430 293 T N -2.723 111.726 114.554 -0.175 0.000 2.938 293 T HA 0.584 4.934 4.350 -0.001 0.000 0.285 293 T C 0.717 175.721 174.700 0.506 0.000 1.028 293 T CA 0.143 62.328 62.100 0.142 0.000 1.005 293 T CB 0.840 69.789 68.868 0.136 0.000 1.157 293 T HN 1.205 9.445 8.240 -0.000 0.000 0.550 294 F N 1.690 121.936 119.950 0.493 0.000 2.128 294 F HA 0.007 4.534 4.527 -0.001 0.000 0.295 294 F C 2.812 178.835 175.800 0.371 0.000 1.100 294 F CA 1.908 60.242 58.000 0.555 0.000 1.260 294 F CB -0.592 38.690 39.000 0.470 0.000 1.009 294 F HN 0.810 9.110 8.300 -0.000 0.000 0.476 295 Q N 0.499 120.408 119.800 0.182 0.000 2.135 295 Q HA -0.257 4.083 4.340 -0.001 0.000 0.204 295 Q C 1.400 177.383 176.000 -0.029 0.000 0.981 295 Q CA 2.076 57.879 55.803 -0.001 0.000 0.856 295 Q CB -1.081 27.723 28.738 0.109 0.000 0.902 295 Q HN 0.600 8.870 8.270 -0.000 0.000 0.425 296 D N -0.536 119.907 120.400 0.072 0.000 2.194 296 D HA -0.177 4.463 4.640 -0.001 0.000 0.204 296 D C 1.271 177.658 176.300 0.146 0.000 0.964 296 D CA 0.323 54.372 54.000 0.081 0.000 0.846 296 D CB -0.761 40.087 40.800 0.082 0.000 0.962 296 D HN 0.389 8.759 8.370 -0.000 0.000 0.490 297 W N 2.008 123.285 121.300 -0.039 0.000 2.747 297 W HA 0.217 4.876 4.660 -0.000 0.000 0.244 297 W C 0.338 176.763 176.519 -0.158 0.000 1.270 297 W CA -0.411 56.913 57.345 -0.036 0.000 1.333 297 W CB -0.433 29.069 29.460 0.070 0.000 1.139 297 W HN 0.113 8.293 8.180 -0.000 0.000 0.662 298 I N 0.000 120.493 120.570 -0.129 0.000 2.984 298 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 298 I CA 0.000 61.179 61.300 -0.201 0.000 1.566 298 I CB 0.000 37.791 38.000 -0.349 0.000 1.214 298 I HN 0.000 8.210 8.210 -0.000 0.000 0.494