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 2gya_1_A DATA FIRST_RESID 38 DATA SEQUENCE KSGGRNNNGR ITTRHIGGGH KQAYRIVDFK RNKDGIPAVV ERLEYDPNRS DATA SEQUENCE ANIALVLYKD GERRYILAPK GLKAGDQIQS GVDAAIKPGN TLPMRNIPVG DATA SEQUENCE STVHNVEMKP GKGGQLARSA GTYVQIVARD GAYVTLRLRS GEMRKVEADC DATA SEQUENCE RATLGEVGNA EHMLRVLGKA GAARWRGVRP TVRGTAMNPV DHPHGGGEGR DATA SEQUENCE NFGKHPVTPW GVQTKGKKTR SNKRTDK 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 38 K HA 0.000 4.320 4.320 0.000 0.000 0.191 38 K C 0.000 176.579 176.600 -0.035 0.000 0.988 38 K CA 0.000 56.272 56.287 -0.025 0.000 0.838 38 K CB 0.000 32.485 32.500 -0.025 0.000 1.064 39 S N -0.860 114.812 115.700 -0.047 0.000 2.439 39 S HA 0.049 4.519 4.470 -0.000 0.000 0.224 39 S C 1.897 176.439 174.600 -0.097 0.000 1.029 39 S CA 0.778 58.938 58.200 -0.068 0.000 0.946 39 S CB -0.374 62.783 63.200 -0.072 0.000 0.797 39 S HN 0.775 9.085 8.310 0.000 0.000 0.504 40 G N 1.059 109.810 108.800 -0.081 0.000 2.586 40 G HA2 0.200 4.159 3.960 -0.000 0.000 0.215 40 G HA3 0.200 4.159 3.960 -0.000 0.000 0.215 40 G C 1.040 175.893 174.900 -0.077 0.000 1.128 40 G CA 0.524 45.570 45.100 -0.090 0.000 0.774 40 G HN 0.674 8.964 8.290 0.000 0.000 0.543 41 G N -0.959 107.808 108.800 -0.055 0.000 3.192 41 G HA2 0.309 4.269 3.960 -0.000 0.000 0.239 41 G HA3 0.309 4.269 3.960 -0.000 0.000 0.239 41 G C 1.400 176.298 174.900 -0.003 0.000 1.084 41 G CA -0.219 44.870 45.100 -0.018 0.000 0.784 41 G HN 0.401 8.691 8.290 0.000 0.000 0.540 42 R N -0.898 119.577 120.500 -0.041 0.000 2.663 42 R HA 0.174 4.513 4.340 -0.000 0.000 0.199 42 R C -0.258 176.020 176.300 -0.036 0.000 0.870 42 R CA 0.443 56.544 56.100 0.002 0.000 1.040 42 R CB 0.518 30.817 30.300 -0.003 0.000 1.524 42 R HN 0.449 8.719 8.270 0.000 0.000 0.643 43 N N 0.177 118.756 118.700 -0.201 0.000 2.610 43 N HA 0.076 4.815 4.740 -0.000 0.000 0.264 43 N C -1.627 173.637 175.510 -0.410 0.000 1.348 43 N CA -0.995 51.886 53.050 -0.282 0.000 0.819 43 N CB 0.203 38.641 38.487 -0.082 0.000 1.521 43 N HN 0.032 8.412 8.380 0.000 0.000 0.497 44 N N 0.247 118.749 118.700 -0.330 0.000 1.729 44 N HA -0.268 4.472 4.740 -0.000 0.000 0.404 44 N C -0.674 174.715 175.510 -0.202 0.000 1.128 44 N CA 0.900 53.831 53.050 -0.199 0.000 0.730 44 N CB -0.328 38.103 38.487 -0.092 0.000 0.948 44 N HN 0.881 9.261 8.380 0.000 0.000 0.571 45 N N 0.572 119.178 118.700 -0.157 0.000 3.704 45 N HA 0.325 5.064 4.740 -0.000 0.000 0.346 45 N C 0.947 176.432 175.510 -0.041 0.000 1.289 45 N CA 0.065 53.054 53.050 -0.103 0.000 0.660 45 N CB -0.318 38.092 38.487 -0.128 0.000 3.327 45 N HN 0.470 8.850 8.380 0.000 0.000 0.479 46 G N 0.916 109.703 108.800 -0.022 0.000 2.662 46 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.215 46 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.215 46 G C 0.496 175.415 174.900 0.032 0.000 1.310 46 G CA 0.225 45.325 45.100 0.001 0.000 0.849 46 G HN 0.543 8.833 8.290 0.000 0.000 0.568 47 R N 1.353 121.884 120.500 0.052 0.000 2.824 47 R HA 0.118 4.457 4.340 -0.000 0.000 0.240 47 R C 0.033 176.420 176.300 0.145 0.000 1.548 47 R CA -0.436 55.708 56.100 0.073 0.000 1.119 47 R CB -0.978 29.361 30.300 0.065 0.000 1.189 47 R HN 0.363 8.633 8.270 0.000 0.000 0.596 48 I N 0.577 121.220 120.570 0.122 0.000 2.692 48 I HA 0.165 4.335 4.170 -0.000 0.000 0.284 48 I C 0.600 176.760 176.117 0.072 0.000 1.159 48 I CA 0.017 61.421 61.300 0.173 0.000 1.423 48 I CB 1.068 39.125 38.000 0.096 0.000 1.380 48 I HN 0.385 8.595 8.210 0.000 0.000 0.580 49 T N 0.425 114.962 114.554 -0.029 0.000 2.678 49 T HA 0.440 4.790 4.350 -0.000 0.000 0.260 49 T C 1.191 175.823 174.700 -0.114 0.000 0.932 49 T CA 0.108 62.096 62.100 -0.186 0.000 1.043 49 T CB 0.470 69.058 68.868 -0.466 0.000 1.413 49 T HN 0.791 9.031 8.240 0.000 0.000 0.568 50 T N -0.511 113.968 114.554 -0.126 0.000 2.821 50 T HA -0.096 4.253 4.350 -0.000 0.000 0.267 50 T C 1.723 176.403 174.700 -0.033 0.000 1.046 50 T CA 1.026 63.091 62.100 -0.059 0.000 1.139 50 T CB -0.390 68.447 68.868 -0.052 0.000 0.871 50 T HN 0.736 8.976 8.240 0.000 0.000 0.454 51 R N 0.649 121.110 120.500 -0.065 0.000 2.359 51 R HA 0.219 4.558 4.340 -0.000 0.000 0.231 51 R C 1.084 177.479 176.300 0.158 0.000 0.913 51 R CA 0.336 56.451 56.100 0.025 0.000 1.075 51 R CB -0.896 29.417 30.300 0.023 0.000 1.087 51 R HN 0.614 8.884 8.270 0.000 0.000 0.515 52 H N -0.496 118.570 119.070 -0.007 0.000 2.516 52 H HA 0.246 4.802 4.556 -0.001 0.000 0.284 52 H C 0.544 175.863 175.328 -0.016 0.000 0.999 52 H CA -0.533 55.508 56.048 -0.012 0.000 1.303 52 H CB 0.590 30.346 29.762 -0.011 0.000 1.452 52 H HN -0.015 8.265 8.280 0.000 0.000 0.530 53 I N 2.993 123.630 120.570 0.111 0.000 2.618 53 I HA 0.013 4.183 4.170 -0.000 0.000 0.284 53 I C 1.025 177.153 176.117 0.018 0.000 1.146 53 I CA 0.452 61.779 61.300 0.045 0.000 1.425 53 I CB 0.231 38.245 38.000 0.023 0.000 1.383 53 I HN 0.177 8.387 8.210 0.000 0.000 0.562 54 G N 5.482 114.277 108.800 -0.008 0.000 2.647 54 G HA2 0.261 4.220 3.960 -0.000 0.000 0.271 54 G HA3 0.261 4.220 3.960 -0.000 0.000 0.271 54 G C 0.390 175.253 174.900 -0.060 0.000 1.300 54 G CA -0.098 44.985 45.100 -0.029 0.000 0.997 54 G HN 0.952 9.242 8.290 0.000 0.000 0.533 55 G N -0.897 107.857 108.800 -0.077 0.000 2.187 55 G HA2 0.385 4.345 3.960 -0.000 0.000 0.239 55 G HA3 0.385 4.345 3.960 -0.000 0.000 0.239 55 G C 1.011 175.742 174.900 -0.283 0.000 1.200 55 G CA 0.610 45.624 45.100 -0.144 0.000 0.888 55 G HN 0.857 9.147 8.290 0.000 0.000 0.482 56 G N 1.584 110.006 108.800 -0.630 0.000 2.586 56 G HA2 -0.021 3.938 3.960 -0.000 0.000 0.199 56 G HA3 -0.021 3.938 3.960 -0.000 0.000 0.199 56 G C 1.371 175.853 174.900 -0.697 0.000 1.614 56 G CA 0.666 45.285 45.100 -0.802 0.000 0.921 56 G HN 0.805 9.095 8.290 0.000 0.000 0.428 57 H N 1.503 120.571 119.070 -0.002 0.000 2.516 57 H HA -0.227 4.328 4.556 -0.001 0.000 0.289 57 H C 1.813 177.139 175.328 -0.004 0.000 1.107 57 H CA 1.743 57.789 56.048 -0.004 0.000 1.101 57 H CB -0.313 29.447 29.762 -0.003 0.000 1.315 57 H HN 0.648 8.928 8.280 0.000 0.000 0.546 58 K N 0.641 121.054 120.400 0.022 0.000 2.606 58 K HA -0.002 4.318 4.320 -0.000 0.000 0.199 58 K C 0.260 176.860 176.600 0.001 0.000 1.403 58 K CA -0.250 56.051 56.287 0.024 0.000 1.011 58 K CB 0.401 32.919 32.500 0.030 0.000 1.623 58 K HN 0.076 8.326 8.250 0.000 0.000 0.512 59 Q N 2.311 122.101 119.800 -0.017 0.000 3.037 59 Q HA -0.211 4.128 4.340 -0.000 0.000 0.161 59 Q C 0.398 176.394 176.000 -0.006 0.000 1.530 59 Q CA 0.600 56.393 55.803 -0.017 0.000 0.511 59 Q CB -0.884 27.837 28.738 -0.030 0.000 0.755 59 Q HN 0.561 8.831 8.270 0.000 0.000 0.377 60 A N 2.449 125.268 122.820 -0.002 0.000 5.920 60 A HA -0.332 3.987 4.320 -0.000 0.000 0.295 60 A C -0.115 177.474 177.584 0.008 0.000 1.933 60 A CA 0.897 52.936 52.037 0.003 0.000 0.728 60 A CB -1.324 17.677 19.000 0.002 0.000 1.235 60 A HN 0.971 9.121 8.150 0.000 0.000 0.386 61 Y N 1.554 121.839 120.300 -0.025 0.000 2.597 61 Y HA -0.003 4.547 4.550 -0.000 0.000 0.425 61 Y C 1.410 177.295 175.900 -0.026 0.000 1.388 61 Y CA 1.722 59.802 58.100 -0.033 0.000 1.889 61 Y CB -0.333 38.083 38.460 -0.074 0.000 1.289 61 Y HN 0.540 8.820 8.280 0.000 0.000 0.431 62 R N 7.672 128.002 120.500 -0.285 0.000 3.152 62 R HA 0.104 4.444 4.340 -0.000 0.000 0.209 62 R C 0.244 176.383 176.300 -0.268 0.000 1.649 62 R CA -0.117 55.851 56.100 -0.219 0.000 1.185 62 R CB -1.059 29.145 30.300 -0.160 0.000 1.258 62 R HN 0.750 9.020 8.270 0.000 0.000 0.656 63 I N 0.551 121.010 120.570 -0.185 0.000 2.993 63 I HA -0.014 4.156 4.170 -0.000 0.000 0.301 63 I C -0.116 175.942 176.117 -0.099 0.000 1.229 63 I CA -0.171 61.061 61.300 -0.114 0.000 1.435 63 I CB 0.234 38.237 38.000 0.005 0.000 1.328 63 I HN 0.124 8.334 8.210 0.000 0.000 0.584 64 V N 2.268 122.126 119.914 -0.093 0.000 3.195 64 V HA 0.365 4.484 4.120 -0.000 0.000 0.311 64 V C -1.742 174.311 176.094 -0.068 0.000 1.669 64 V CA -0.464 61.786 62.300 -0.083 0.000 0.971 64 V CB 1.753 33.506 31.823 -0.116 0.000 1.007 64 V HN 1.091 9.281 8.190 0.000 0.000 0.485 65 D N -1.316 119.050 120.400 -0.058 0.000 2.478 65 D HA 0.476 5.115 4.640 -0.000 0.000 0.240 65 D C 0.311 176.629 176.300 0.031 0.000 1.364 65 D CA -0.586 53.409 54.000 -0.008 0.000 0.987 65 D CB 1.084 41.899 40.800 0.026 0.000 1.328 65 D HN 0.304 8.674 8.370 0.000 0.000 0.584 66 F N 2.697 122.599 119.950 -0.080 0.000 2.041 66 F HA -0.389 4.138 4.527 -0.001 0.000 0.265 66 F C 0.693 176.451 175.800 -0.070 0.000 1.057 66 F CA 2.744 60.686 58.000 -0.097 0.000 1.441 66 F CB -0.626 38.292 39.000 -0.137 0.000 0.916 66 F HN 0.671 8.971 8.300 0.000 0.000 0.474 67 K N -1.130 119.378 120.400 0.181 0.000 4.846 67 K HA -0.055 4.265 4.320 -0.000 0.000 0.925 67 K C -0.040 176.594 176.600 0.057 0.000 1.867 67 K CA 0.762 57.105 56.287 0.093 0.000 1.424 67 K CB -0.666 31.881 32.500 0.080 0.000 2.897 67 K HN 0.739 8.989 8.250 0.000 0.000 0.179 68 R N 0.808 121.317 120.500 0.015 0.000 4.304 68 R HA 0.427 4.766 4.340 -0.000 0.000 0.239 68 R C -0.470 175.818 176.300 -0.020 0.000 0.933 68 R CA -0.672 55.417 56.100 -0.019 0.000 0.707 68 R CB 0.293 30.554 30.300 -0.065 0.000 1.862 68 R HN 0.319 8.589 8.270 0.000 0.000 0.370 69 N N -0.769 117.911 118.700 -0.033 0.000 3.502 69 N HA 0.253 4.992 4.740 -0.000 0.000 0.226 69 N C -0.631 174.862 175.510 -0.028 0.000 1.133 69 N CA -0.060 52.974 53.050 -0.027 0.000 1.143 69 N CB 0.457 38.928 38.487 -0.027 0.000 1.346 69 N HN 0.274 8.654 8.380 0.000 0.000 0.720 70 K N 0.586 120.964 120.400 -0.037 0.000 2.288 70 K HA 0.396 4.716 4.320 -0.000 0.000 0.234 70 K C -1.040 175.537 176.600 -0.039 0.000 1.037 70 K CA -0.565 55.703 56.287 -0.032 0.000 0.914 70 K CB 1.314 33.797 32.500 -0.028 0.000 1.197 70 K HN 0.058 8.308 8.250 0.000 0.000 0.471 71 D N -2.029 118.354 120.400 -0.029 0.000 2.374 71 D HA 0.556 5.196 4.640 -0.000 0.000 0.239 71 D C -0.195 176.091 176.300 -0.022 0.000 0.991 71 D CA -0.187 53.798 54.000 -0.025 0.000 0.960 71 D CB 1.625 42.417 40.800 -0.014 0.000 1.284 71 D HN 0.571 8.941 8.370 0.000 0.000 0.512 72 G N 0.662 109.452 108.800 -0.017 0.000 2.332 72 G HA2 0.018 3.977 3.960 -0.000 0.000 0.216 72 G HA3 0.018 3.977 3.960 -0.000 0.000 0.216 72 G C -0.448 174.448 174.900 -0.006 0.000 1.041 72 G CA -0.429 44.664 45.100 -0.011 0.000 0.836 72 G HN 0.415 8.705 8.290 0.000 0.000 0.530 73 I N 1.081 121.651 120.570 0.001 0.000 2.934 73 I HA 0.596 4.765 4.170 -0.000 0.000 0.306 73 I C -2.269 173.878 176.117 0.049 0.000 1.110 73 I CA -2.526 58.786 61.300 0.019 0.000 1.019 73 I CB 3.320 41.328 38.000 0.013 0.000 1.227 73 I HN -0.025 8.185 8.210 0.000 0.000 0.434 74 P HA 0.706 5.126 4.420 0.000 0.000 0.330 74 P C -1.797 175.516 177.300 0.022 0.000 1.274 74 P CA -0.565 62.558 63.100 0.038 0.000 0.802 74 P CB 2.465 34.166 31.700 0.002 0.000 1.384 75 A N -1.051 121.709 122.820 -0.100 0.000 2.606 75 A HA 0.697 5.016 4.320 -0.000 0.000 0.293 75 A C -1.141 176.279 177.584 -0.273 0.000 1.082 75 A CA -0.519 51.290 52.037 -0.379 0.000 0.685 75 A CB 1.384 20.065 19.000 -0.531 0.000 1.284 75 A HN 0.436 8.586 8.150 0.000 0.000 0.408 76 V N -0.951 118.767 119.914 -0.326 0.000 2.932 76 V HA 0.799 4.919 4.120 -0.000 0.000 0.307 76 V C -0.526 175.468 176.094 -0.168 0.000 1.147 76 V CA -0.818 61.372 62.300 -0.183 0.000 0.951 76 V CB 0.993 32.743 31.823 -0.122 0.000 1.031 76 V HN 0.986 9.176 8.190 0.000 0.000 0.426 77 V N 2.757 122.606 119.914 -0.108 0.000 2.834 77 V HA 0.429 4.549 4.120 -0.000 0.000 0.301 77 V C 1.105 177.155 176.094 -0.073 0.000 1.066 77 V CA 0.511 62.760 62.300 -0.084 0.000 1.052 77 V CB 1.374 33.167 31.823 -0.050 0.000 1.021 77 V HN 1.191 9.381 8.190 0.000 0.000 0.480 78 E N 2.135 122.289 120.200 -0.077 0.000 2.306 78 E HA 0.260 4.610 4.350 -0.000 0.000 0.201 78 E C 0.684 177.256 176.600 -0.046 0.000 0.874 78 E CA 0.290 56.649 56.400 -0.067 0.000 0.972 78 E CB 0.552 30.198 29.700 -0.091 0.000 0.957 78 E HN 0.623 8.983 8.360 0.000 0.000 0.492 79 R N -0.388 120.085 120.500 -0.044 0.000 2.709 79 R HA 0.280 4.620 4.340 -0.000 0.000 0.270 79 R C -2.030 174.283 176.300 0.022 0.000 1.038 79 R CA -0.719 55.377 56.100 -0.006 0.000 0.872 79 R CB 0.676 30.978 30.300 0.003 0.000 1.259 79 R HN 0.154 8.424 8.270 0.000 0.000 0.473 80 L N 3.059 124.305 121.223 0.038 0.000 2.296 80 L HA 0.535 4.875 4.340 -0.000 0.000 0.286 80 L C -0.673 176.238 176.870 0.068 0.000 1.023 80 L CA 0.174 55.034 54.840 0.034 0.000 0.812 80 L CB 1.394 43.446 42.059 -0.011 0.000 1.223 80 L HN 0.847 9.077 8.230 0.000 0.000 0.421 81 E N 3.718 123.956 120.200 0.064 0.000 2.493 81 E HA 0.420 4.770 4.350 -0.000 0.000 0.243 81 E C -1.718 174.857 176.600 -0.041 0.000 0.875 81 E CA -0.687 55.791 56.400 0.129 0.000 0.872 81 E CB 1.682 31.474 29.700 0.155 0.000 1.476 81 E HN 0.407 8.767 8.360 0.000 0.000 0.394 82 Y N 1.127 121.397 120.300 -0.050 0.000 2.363 82 Y HA 0.164 4.713 4.550 -0.001 0.000 0.325 82 Y C -0.455 175.375 175.900 -0.116 0.000 0.984 82 Y CA -1.189 56.872 58.100 -0.065 0.000 1.248 82 Y CB 0.946 39.382 38.460 -0.040 0.000 1.116 82 Y HN 0.436 8.716 8.280 0.000 0.000 0.470 83 D N 4.444 124.802 120.400 -0.070 0.000 2.548 83 D HA -0.039 4.600 4.640 -0.000 0.000 0.231 83 D C -1.837 174.425 176.300 -0.063 0.000 1.142 83 D CA -0.855 53.064 54.000 -0.134 0.000 0.866 83 D CB 1.273 42.001 40.800 -0.120 0.000 1.190 83 D HN 0.253 8.623 8.370 0.000 0.000 0.469 84 P HA -0.074 4.346 4.420 0.000 0.000 0.220 84 P C 0.505 177.797 177.300 -0.013 0.000 1.148 84 P CA 0.943 64.016 63.100 -0.044 0.000 0.803 84 P CB 0.007 31.675 31.700 -0.053 0.000 0.782 85 N N -1.390 117.306 118.700 -0.007 0.000 2.184 85 N HA 0.053 4.793 4.740 -0.000 0.000 0.206 85 N C -0.103 175.411 175.510 0.006 0.000 1.151 85 N CA 0.051 53.105 53.050 0.006 0.000 0.878 85 N CB 0.585 39.083 38.487 0.018 0.000 1.014 85 N HN 0.031 8.411 8.380 0.000 0.000 0.512 86 R N -0.062 120.440 120.500 0.003 0.000 2.523 86 R HA 0.110 4.450 4.340 -0.000 0.000 0.278 86 R C -0.655 175.664 176.300 0.031 0.000 1.150 86 R CA -0.326 55.780 56.100 0.010 0.000 0.987 86 R CB 1.270 31.571 30.300 0.002 0.000 1.232 86 R HN -0.031 8.239 8.270 0.000 0.000 0.424 87 S N 1.700 117.436 115.700 0.060 0.000 2.894 87 S HA 0.088 4.558 4.470 -0.000 0.000 0.231 87 S C 0.715 175.410 174.600 0.158 0.000 0.971 87 S CA 0.421 58.709 58.200 0.146 0.000 1.005 87 S CB -0.220 63.052 63.200 0.119 0.000 0.799 87 S HN 0.612 8.922 8.310 0.000 0.000 0.527 88 A N 1.995 124.829 122.820 0.022 0.000 2.275 88 A HA 0.504 4.824 4.320 -0.000 0.000 0.282 88 A C 0.285 177.707 177.584 -0.269 0.000 1.275 88 A CA -0.666 51.326 52.037 -0.075 0.000 0.842 88 A CB 0.099 19.069 19.000 -0.049 0.000 1.280 88 A HN 0.718 8.868 8.150 0.000 0.000 0.508 89 N N 0.359 118.890 118.700 -0.282 0.000 2.392 89 N HA 0.427 5.166 4.740 -0.000 0.000 0.283 89 N C -1.006 174.401 175.510 -0.172 0.000 1.003 89 N CA -0.381 52.449 53.050 -0.368 0.000 0.892 89 N CB 1.753 40.029 38.487 -0.350 0.000 1.193 89 N HN 0.634 9.014 8.380 0.000 0.000 0.487 90 I N -1.454 119.034 120.570 -0.137 0.000 2.474 90 I HA 0.680 4.850 4.170 -0.000 0.000 0.294 90 I C -0.676 175.508 176.117 0.112 0.000 1.005 90 I CA -1.270 60.023 61.300 -0.012 0.000 1.113 90 I CB 1.038 38.989 38.000 -0.082 0.000 1.289 90 I HN 0.532 8.742 8.210 0.000 0.000 0.436 91 A N 7.372 130.277 122.820 0.141 0.000 2.252 91 A HA 0.514 4.834 4.320 -0.000 0.000 0.309 91 A C -0.292 177.369 177.584 0.129 0.000 1.285 91 A CA -0.567 51.541 52.037 0.120 0.000 0.900 91 A CB 0.391 19.419 19.000 0.047 0.000 1.157 91 A HN 0.899 9.049 8.150 0.000 0.000 0.536 92 L N 5.444 126.659 121.223 -0.013 0.000 2.369 92 L HA 0.394 4.733 4.340 -0.000 0.000 0.279 92 L C 0.328 177.087 176.870 -0.186 0.000 1.108 92 L CA -0.474 54.135 54.840 -0.385 0.000 0.852 92 L CB 0.489 42.147 42.059 -0.669 0.000 1.169 92 L HN 0.660 8.890 8.230 0.000 0.000 0.452 93 V N 3.903 123.740 119.914 -0.129 0.000 3.859 93 V HA 0.482 4.602 4.120 -0.000 0.000 0.277 93 V C -0.225 175.800 176.094 -0.116 0.000 1.173 93 V CA -0.916 61.306 62.300 -0.130 0.000 0.872 93 V CB 1.408 33.113 31.823 -0.197 0.000 1.240 93 V HN 0.638 8.828 8.190 0.000 0.000 0.437 94 L N 0.614 121.725 121.223 -0.187 0.000 2.420 94 L HA 0.396 4.736 4.340 -0.000 0.000 0.260 94 L C -1.125 175.712 176.870 -0.055 0.000 1.508 94 L CA -0.106 54.684 54.840 -0.083 0.000 0.835 94 L CB 0.575 42.589 42.059 -0.076 0.000 1.018 94 L HN 0.822 9.052 8.230 0.000 0.000 0.520 95 Y N 1.366 121.701 120.300 0.057 0.000 2.873 95 Y HA 0.055 4.605 4.550 -0.000 0.000 0.375 95 Y C 1.483 177.413 175.900 0.050 0.000 1.070 95 Y CA -0.064 58.080 58.100 0.073 0.000 1.644 95 Y CB 0.055 38.611 38.460 0.160 0.000 1.495 95 Y HN 0.518 8.798 8.280 0.000 0.000 0.494 96 K N 1.122 121.612 120.400 0.149 0.000 6.999 96 K HA -0.449 3.871 4.320 -0.000 0.000 0.344 96 K C 1.599 178.249 176.600 0.083 0.000 0.603 96 K CA 2.614 58.956 56.287 0.092 0.000 1.181 96 K CB -1.545 30.994 32.500 0.065 0.000 0.790 96 K HN 0.544 8.794 8.250 0.000 0.000 0.953 97 D N 0.006 120.447 120.400 0.068 0.000 2.380 97 D HA -0.079 4.560 4.640 -0.000 0.000 0.198 97 D C 1.132 177.468 176.300 0.060 0.000 1.027 97 D CA 2.561 56.589 54.000 0.047 0.000 0.880 97 D CB -0.900 39.912 40.800 0.019 0.000 1.064 97 D HN 0.729 9.099 8.370 0.000 0.000 0.465 98 G N -2.283 106.568 108.800 0.086 0.000 2.663 98 G HA2 0.540 4.500 3.960 -0.000 0.000 0.299 98 G HA3 0.540 4.500 3.960 -0.000 0.000 0.299 98 G C -1.135 173.848 174.900 0.139 0.000 1.372 98 G CA 0.228 45.384 45.100 0.092 0.000 0.781 98 G HN 0.351 8.641 8.290 0.000 0.000 0.491 99 E N -1.931 118.333 120.200 0.107 0.000 5.357 99 E HA 0.245 4.595 4.350 -0.000 0.000 0.489 99 E C -0.334 176.300 176.600 0.057 0.000 1.175 99 E CA 0.531 56.981 56.400 0.083 0.000 2.730 99 E CB -0.562 29.222 29.700 0.140 0.000 1.235 99 E HN 1.615 9.975 8.360 0.000 0.000 0.390 100 R N 0.786 121.316 120.500 0.050 0.000 6.670 100 R HA 0.254 4.594 4.340 -0.000 0.000 0.263 100 R C -1.371 174.986 176.300 0.095 0.000 0.788 100 R CA 1.061 57.202 56.100 0.067 0.000 1.667 100 R CB -1.011 29.327 30.300 0.064 0.000 1.337 100 R HN 0.687 8.957 8.270 0.000 0.000 0.799 101 R N 1.879 122.460 120.500 0.135 0.000 4.091 101 R HA 0.513 4.853 4.340 -0.000 0.000 0.252 101 R C -0.923 175.551 176.300 0.291 0.000 0.962 101 R CA -0.515 55.792 56.100 0.344 0.000 0.763 101 R CB 0.674 31.105 30.300 0.218 0.000 1.819 101 R HN 0.255 8.525 8.270 0.000 0.000 0.382 102 Y N -0.397 120.074 120.300 0.286 0.000 2.965 102 Y HA 0.709 5.259 4.550 -0.000 0.000 0.310 102 Y C -0.629 175.376 175.900 0.175 0.000 1.480 102 Y CA -0.842 57.370 58.100 0.188 0.000 1.094 102 Y CB 1.402 39.938 38.460 0.126 0.000 1.377 102 Y HN 0.218 8.498 8.280 0.000 0.000 0.514 103 I N 1.658 122.417 120.570 0.315 0.000 2.680 103 I HA 0.135 4.305 4.170 -0.000 0.000 0.291 103 I C -1.346 174.858 176.117 0.144 0.000 1.244 103 I CA -0.893 60.528 61.300 0.202 0.000 1.042 103 I CB 2.117 40.213 38.000 0.160 0.000 1.277 103 I HN 0.319 8.529 8.210 0.000 0.000 0.423 104 L N 6.060 127.350 121.223 0.113 0.000 2.791 104 L HA 0.146 4.485 4.340 -0.000 0.000 0.276 104 L C 0.304 177.203 176.870 0.048 0.000 1.136 104 L CA 0.616 55.498 54.840 0.071 0.000 1.008 104 L CB 0.033 42.130 42.059 0.063 0.000 1.348 104 L HN 0.771 9.001 8.230 0.000 0.000 0.476 105 A N 8.323 131.160 122.820 0.027 0.000 2.310 105 A HA 0.577 4.897 4.320 -0.000 0.000 0.300 105 A C -2.051 175.528 177.584 -0.007 0.000 1.269 105 A CA -1.258 50.784 52.037 0.009 0.000 0.909 105 A CB 0.119 19.116 19.000 -0.005 0.000 1.144 105 A HN 0.654 8.804 8.150 0.000 0.000 0.540 106 P HA 0.074 4.494 4.420 0.000 0.000 0.339 106 P C -0.117 177.177 177.300 -0.011 0.000 1.413 106 P CA -0.066 63.033 63.100 -0.002 0.000 0.833 106 P CB 0.344 32.048 31.700 0.005 0.000 2.004 107 K N -0.253 120.143 120.400 -0.007 0.000 2.354 107 K HA 0.476 4.795 4.320 -0.000 0.000 0.257 107 K C 0.131 176.728 176.600 -0.005 0.000 1.062 107 K CA 0.069 56.351 56.287 -0.008 0.000 0.971 107 K CB -0.667 31.829 32.500 -0.005 0.000 1.305 107 K HN 0.648 8.898 8.250 0.000 0.000 0.449 108 G N 3.277 112.073 108.800 -0.007 0.000 3.110 108 G HA2 -0.100 3.859 3.960 -0.000 0.000 0.205 108 G HA3 -0.100 3.859 3.960 -0.000 0.000 0.205 108 G C -0.459 174.437 174.900 -0.006 0.000 1.019 108 G CA -0.661 44.436 45.100 -0.005 0.000 0.826 108 G HN 0.394 8.684 8.290 0.000 0.000 0.481 109 L N 2.528 123.747 121.223 -0.007 0.000 2.456 109 L HA 0.447 4.786 4.340 -0.000 0.000 0.277 109 L C 0.387 177.250 176.870 -0.011 0.000 1.124 109 L CA 0.560 55.395 54.840 -0.008 0.000 0.880 109 L CB 0.435 42.491 42.059 -0.005 0.000 1.192 109 L HN 0.157 8.387 8.230 0.000 0.000 0.463 110 K N 2.038 122.431 120.400 -0.012 0.000 2.354 110 K HA 0.683 5.003 4.320 -0.000 0.000 0.238 110 K C -0.386 176.205 176.600 -0.016 0.000 1.068 110 K CA -0.839 55.441 56.287 -0.011 0.000 0.925 110 K CB 1.305 33.800 32.500 -0.007 0.000 1.286 110 K HN 0.459 8.709 8.250 0.000 0.000 0.500 111 A N -0.079 122.733 122.820 -0.014 0.000 2.409 111 A HA 0.509 4.829 4.320 -0.000 0.000 0.267 111 A C 0.934 178.504 177.584 -0.023 0.000 1.127 111 A CA 0.952 52.976 52.037 -0.022 0.000 0.795 111 A CB -0.452 18.538 19.000 -0.016 0.000 1.061 111 A HN 0.793 8.943 8.150 0.000 0.000 0.502 112 G N 2.740 111.521 108.800 -0.033 0.000 2.561 112 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.203 112 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.203 112 G C 0.095 174.974 174.900 -0.034 0.000 1.101 112 G CA 0.347 45.429 45.100 -0.031 0.000 0.711 112 G HN 1.282 9.572 8.290 0.000 0.000 0.511 113 D N 1.382 121.763 120.400 -0.031 0.000 2.390 113 D HA 0.391 5.030 4.640 -0.000 0.000 0.236 113 D C 0.580 176.854 176.300 -0.044 0.000 1.189 113 D CA 0.688 54.670 54.000 -0.030 0.000 0.887 113 D CB 0.168 40.954 40.800 -0.024 0.000 1.198 113 D HN 0.837 9.207 8.370 0.000 0.000 0.444 114 Q N 0.990 120.766 119.800 -0.040 0.000 2.506 114 Q HA 0.266 4.606 4.340 -0.000 0.000 0.242 114 Q C -0.155 175.819 176.000 -0.044 0.000 1.060 114 Q CA -0.991 54.780 55.803 -0.053 0.000 0.826 114 Q CB 0.925 29.637 28.738 -0.043 0.000 1.169 114 Q HN 0.595 8.865 8.270 0.000 0.000 0.521 115 I N 0.130 120.667 120.570 -0.055 0.000 2.624 115 I HA 0.042 4.212 4.170 -0.000 0.000 0.307 115 I C 0.308 176.416 176.117 -0.015 0.000 1.191 115 I CA 0.182 61.466 61.300 -0.027 0.000 1.708 115 I CB -1.034 36.954 38.000 -0.020 0.000 1.521 115 I HN 0.847 9.057 8.210 0.000 0.000 0.805 116 Q N 4.176 123.973 119.800 -0.005 0.000 2.730 116 Q HA 0.118 4.458 4.340 -0.000 0.000 0.255 116 Q C -0.638 175.386 176.000 0.041 0.000 1.155 116 Q CA 0.593 56.403 55.803 0.011 0.000 1.035 116 Q CB 0.594 29.337 28.738 0.009 0.000 1.335 116 Q HN 0.831 9.101 8.270 0.000 0.000 0.556 117 S N -1.113 114.619 115.700 0.055 0.000 2.565 117 S HA 0.835 5.304 4.470 -0.000 0.000 0.269 117 S C -1.005 173.625 174.600 0.051 0.000 1.153 117 S CA -0.223 58.022 58.200 0.075 0.000 0.835 117 S CB 2.034 65.322 63.200 0.147 0.000 1.122 117 S HN 1.099 9.409 8.310 0.000 0.000 0.462 118 G N -0.239 108.588 108.800 0.044 0.000 2.326 118 G HA2 0.190 4.150 3.960 -0.000 0.000 0.413 118 G HA3 0.190 4.150 3.960 -0.000 0.000 0.413 118 G C 0.270 175.182 174.900 0.019 0.000 1.444 118 G CA -0.185 44.929 45.100 0.024 0.000 1.002 118 G HN 1.515 9.805 8.290 0.000 0.000 0.649 119 V N -2.830 117.090 119.914 0.010 0.000 2.867 119 V HA 0.111 4.231 4.120 -0.000 0.000 0.260 119 V C 0.732 176.831 176.094 0.007 0.000 1.099 119 V CA 2.186 64.491 62.300 0.008 0.000 1.122 119 V CB -0.200 31.624 31.823 0.003 0.000 0.708 119 V HN 0.550 8.740 8.190 0.000 0.000 0.490 120 D N 0.486 120.890 120.400 0.007 0.000 3.035 120 D HA 0.644 5.284 4.640 -0.000 0.000 0.290 120 D C 0.867 177.172 176.300 0.009 0.000 1.360 120 D CA 0.742 54.745 54.000 0.006 0.000 0.862 120 D CB 1.394 42.195 40.800 0.002 0.000 1.078 120 D HN 0.559 8.929 8.370 0.000 0.000 0.487 121 A N 0.375 123.202 122.820 0.013 0.000 2.759 121 A HA 0.833 5.153 4.320 -0.000 0.000 0.214 121 A C 0.241 177.832 177.584 0.013 0.000 2.342 121 A CA 0.278 52.324 52.037 0.015 0.000 1.364 121 A CB 0.431 19.445 19.000 0.024 0.000 1.221 121 A HN 0.276 8.426 8.150 0.000 0.000 0.468 122 A N -0.824 122.014 122.820 0.030 0.000 2.594 122 A HA 0.522 4.842 4.320 -0.000 0.000 0.296 122 A C -0.662 176.935 177.584 0.021 0.000 1.056 122 A CA -0.178 51.872 52.037 0.022 0.000 0.693 122 A CB 0.154 19.166 19.000 0.020 0.000 1.278 122 A HN 1.259 9.409 8.150 0.000 0.000 0.408 123 I N -0.182 120.398 120.570 0.016 0.000 2.213 123 I HA 0.540 4.710 4.170 -0.000 0.000 0.295 123 I C -0.140 175.986 176.117 0.014 0.000 1.172 123 I CA 0.041 61.349 61.300 0.014 0.000 1.443 123 I CB -0.349 37.658 38.000 0.013 0.000 1.491 123 I HN 0.503 8.713 8.210 0.000 0.000 0.652 124 K N 6.262 126.671 120.400 0.015 0.000 2.464 124 K HA 0.548 4.867 4.320 -0.000 0.000 0.253 124 K C -2.823 173.786 176.600 0.013 0.000 0.933 124 K CA -2.026 54.269 56.287 0.013 0.000 0.801 124 K CB 2.575 35.083 32.500 0.014 0.000 1.271 124 K HN 0.059 8.309 8.250 0.000 0.000 0.430 125 P HA 0.011 4.431 4.420 0.000 0.000 0.252 125 P C 0.008 177.320 177.300 0.020 0.000 1.183 125 P CA 1.145 64.254 63.100 0.015 0.000 0.973 125 P CB 0.200 31.910 31.700 0.016 0.000 0.990 126 G N 2.696 111.508 108.800 0.019 0.000 2.705 126 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.193 126 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.193 126 G C 0.144 175.063 174.900 0.032 0.000 1.015 126 G CA -0.565 44.551 45.100 0.028 0.000 0.743 126 G HN 0.427 8.717 8.290 0.000 0.000 0.476 127 N N 2.434 121.152 118.700 0.029 0.000 2.472 127 N HA 0.447 5.187 4.740 -0.000 0.000 0.277 127 N C 0.130 175.660 175.510 0.034 0.000 1.081 127 N CA 0.672 53.745 53.050 0.039 0.000 0.973 127 N CB 1.340 39.848 38.487 0.035 0.000 1.105 127 N HN 0.459 8.839 8.380 0.000 0.000 0.470 128 T N 0.775 115.359 114.554 0.051 0.000 2.869 128 T HA 0.481 4.831 4.350 -0.000 0.000 0.295 128 T C 0.388 175.115 174.700 0.044 0.000 0.987 128 T CA -0.676 61.450 62.100 0.043 0.000 1.109 128 T CB 1.035 69.937 68.868 0.057 0.000 0.932 128 T HN 0.116 8.356 8.240 0.000 0.000 0.518 129 L N 2.366 123.605 121.223 0.028 0.000 2.194 129 L HA 0.704 5.044 4.340 -0.000 0.000 0.248 129 L C -2.587 174.296 176.870 0.022 0.000 1.071 129 L CA -2.548 52.308 54.840 0.026 0.000 0.901 129 L CB 1.527 43.596 42.059 0.017 0.000 1.497 129 L HN 0.501 8.731 8.230 0.000 0.000 0.442 130 P HA 0.496 4.916 4.420 0.000 0.000 0.192 130 P C 0.240 177.544 177.300 0.007 0.000 1.858 130 P CA -0.572 62.536 63.100 0.014 0.000 1.309 130 P CB 1.604 33.313 31.700 0.014 0.000 1.590 131 M N 0.861 120.464 119.600 0.004 0.000 3.112 131 M HA -0.386 4.094 4.480 -0.000 0.000 0.287 131 M C 1.858 178.157 176.300 -0.002 0.000 0.417 131 M CA 2.386 57.686 55.300 0.001 0.000 0.788 131 M CB -1.383 31.217 32.600 -0.000 0.000 1.779 131 M HN 0.170 8.460 8.290 0.000 0.000 0.505 132 R N 0.360 120.857 120.500 -0.005 0.000 2.438 132 R HA -0.133 4.207 4.340 -0.000 0.000 0.227 132 R C 0.917 177.214 176.300 -0.005 0.000 1.153 132 R CA 1.903 57.998 56.100 -0.008 0.000 1.059 132 R CB -0.523 29.771 30.300 -0.009 0.000 0.831 132 R HN 0.683 8.953 8.270 0.000 0.000 0.487 133 N N -1.383 117.316 118.700 -0.001 0.000 2.545 133 N HA 0.127 4.866 4.740 -0.000 0.000 0.190 133 N C -0.353 175.159 175.510 0.003 0.000 1.043 133 N CA 0.151 53.202 53.050 0.002 0.000 0.879 133 N CB 0.425 38.916 38.487 0.006 0.000 1.210 133 N HN -0.016 8.364 8.380 0.000 0.000 0.437 134 I N 3.053 123.625 120.570 0.004 0.000 2.416 134 I HA 0.216 4.386 4.170 -0.000 0.000 0.288 134 I C -1.786 174.334 176.117 0.005 0.000 1.051 134 I CA -1.828 59.475 61.300 0.006 0.000 1.375 134 I CB 0.265 38.268 38.000 0.006 0.000 1.407 134 I HN -0.065 8.145 8.210 0.000 0.000 0.516 135 P HA 0.024 4.444 4.420 0.000 0.000 0.273 135 P C -0.435 176.870 177.300 0.008 0.000 1.252 135 P CA -0.253 62.851 63.100 0.006 0.000 0.809 135 P CB 0.500 32.206 31.700 0.009 0.000 1.017 136 V N -0.030 119.888 119.914 0.007 0.000 2.439 136 V HA 0.536 4.656 4.120 -0.000 0.000 0.282 136 V C 1.002 177.105 176.094 0.016 0.000 1.039 136 V CA 0.857 63.162 62.300 0.009 0.000 0.913 136 V CB 0.189 32.014 31.823 0.003 0.000 0.983 136 V HN 0.956 9.146 8.190 0.000 0.000 0.460 137 G N 3.549 112.362 108.800 0.022 0.000 2.141 137 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.195 137 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.195 137 G C 0.085 175.015 174.900 0.050 0.000 1.012 137 G CA 0.154 45.273 45.100 0.032 0.000 0.696 137 G HN 0.938 9.228 8.290 0.000 0.000 0.508 138 S N -0.222 115.509 115.700 0.052 0.000 2.472 138 S HA 0.679 5.149 4.470 -0.000 0.000 0.303 138 S C 0.635 175.295 174.600 0.099 0.000 1.099 138 S CA 0.683 58.921 58.200 0.064 0.000 1.077 138 S CB 1.398 64.622 63.200 0.041 0.000 1.031 138 S HN 1.180 9.490 8.310 0.000 0.000 0.487 139 T N 3.715 118.352 114.554 0.139 0.000 2.891 139 T HA 0.306 4.656 4.350 -0.000 0.000 0.296 139 T C 0.087 174.877 174.700 0.150 0.000 1.025 139 T CA 0.227 62.458 62.100 0.218 0.000 1.149 139 T CB -0.369 68.578 68.868 0.132 0.000 1.007 139 T HN 0.462 8.702 8.240 0.000 0.000 0.528 140 V N 4.397 124.429 119.914 0.196 0.000 3.856 140 V HA 0.747 4.867 4.120 -0.000 0.000 0.302 140 V C -0.827 175.378 176.094 0.184 0.000 1.389 140 V CA -0.110 62.247 62.300 0.096 0.000 0.964 140 V CB 1.601 33.458 31.823 0.057 0.000 1.227 140 V HN 1.323 9.513 8.190 0.000 0.000 0.474 141 H N -0.289 118.832 119.070 0.085 0.000 3.035 141 H HA 0.157 4.712 4.556 -0.001 0.000 0.333 141 H C -0.877 174.480 175.328 0.048 0.000 1.354 141 H CA -0.568 55.525 56.048 0.075 0.000 1.939 141 H CB -1.254 28.562 29.762 0.090 0.000 2.249 141 H HN 0.782 9.062 8.280 0.000 0.000 0.494 142 N N 0.602 119.457 118.700 0.258 0.000 2.407 142 N HA -0.058 4.682 4.740 -0.000 0.000 0.284 142 N C -0.960 174.565 175.510 0.026 0.000 1.508 142 N CA 1.142 54.286 53.050 0.156 0.000 0.779 142 N CB -0.663 37.962 38.487 0.230 0.000 0.916 142 N HN 1.688 10.068 8.380 0.000 0.000 0.474 143 V N 1.176 121.108 119.914 0.031 0.000 2.509 143 V HA 0.526 4.646 4.120 -0.000 0.000 0.289 143 V C 0.677 176.778 176.094 0.012 0.000 1.026 143 V CA -1.002 61.304 62.300 0.010 0.000 0.872 143 V CB 1.523 33.355 31.823 0.015 0.000 1.017 143 V HN 0.494 8.684 8.190 0.000 0.000 0.436 144 E N 3.569 123.772 120.200 0.004 0.000 2.966 144 E HA -0.190 4.160 4.350 -0.000 0.000 0.301 144 E C 0.293 176.900 176.600 0.012 0.000 1.022 144 E CA 0.847 57.250 56.400 0.005 0.000 1.022 144 E CB 0.413 30.114 29.700 0.002 0.000 1.097 144 E HN 0.771 9.131 8.360 0.000 0.000 0.469 145 M N 0.663 120.270 119.600 0.012 0.000 2.552 145 M HA 0.031 4.510 4.480 -0.000 0.000 0.264 145 M C 0.268 176.578 176.300 0.017 0.000 1.159 145 M CA 1.466 56.775 55.300 0.015 0.000 1.176 145 M CB 0.163 32.772 32.600 0.015 0.000 1.327 145 M HN 0.296 8.586 8.290 0.000 0.000 0.481 146 K N -0.817 119.591 120.400 0.014 0.000 2.152 146 K HA 0.492 4.812 4.320 -0.000 0.000 0.257 146 K C -2.649 173.958 176.600 0.011 0.000 0.961 146 K CA -1.170 55.126 56.287 0.015 0.000 0.816 146 K CB 0.769 33.278 32.500 0.015 0.000 1.501 146 K HN -0.121 8.129 8.250 0.000 0.000 0.417 147 P HA 0.377 4.797 4.420 0.000 0.000 0.305 147 P C -0.894 176.409 177.300 0.005 0.000 1.387 147 P CA -0.503 62.602 63.100 0.008 0.000 0.903 147 P CB 1.201 32.908 31.700 0.012 0.000 0.979 148 G N 4.155 112.954 108.800 -0.001 0.000 2.867 148 G HA2 0.129 4.089 3.960 -0.000 0.000 0.182 148 G HA3 0.129 4.089 3.960 -0.000 0.000 0.182 148 G C 0.110 174.997 174.900 -0.021 0.000 1.029 148 G CA 0.095 45.192 45.100 -0.006 0.000 1.093 148 G HN 0.807 9.097 8.290 0.000 0.000 0.585 149 K N -1.324 119.054 120.400 -0.037 0.000 2.496 149 K HA 0.278 4.598 4.320 -0.000 0.000 0.393 149 K C 1.677 178.244 176.600 -0.054 0.000 0.697 149 K CA 1.444 57.698 56.287 -0.054 0.000 1.690 149 K CB -1.409 31.068 32.500 -0.038 0.000 0.954 149 K HN 2.301 10.551 8.250 0.000 0.000 0.502 150 G N 0.639 109.419 108.800 -0.033 0.000 3.188 150 G HA2 0.377 4.337 3.960 -0.000 0.000 0.683 150 G HA3 0.377 4.337 3.960 -0.000 0.000 0.683 150 G C 0.513 175.400 174.900 -0.022 0.000 1.164 150 G CA 0.684 45.769 45.100 -0.025 0.000 1.059 150 G HN 2.062 10.352 8.290 0.000 0.000 0.570 151 G N 0.453 109.249 108.800 -0.007 0.000 2.380 151 G HA2 0.644 4.603 3.960 -0.000 0.000 0.250 151 G HA3 0.644 4.603 3.960 -0.000 0.000 0.250 151 G C -0.668 174.235 174.900 0.004 0.000 1.578 151 G CA 0.820 45.919 45.100 -0.001 0.000 0.974 151 G HN 2.008 10.298 8.290 0.000 0.000 0.680 152 Q N 0.760 120.565 119.800 0.009 0.000 1.643 152 Q HA 0.141 4.481 4.340 -0.000 0.000 0.147 152 Q C -1.005 175.001 176.000 0.010 0.000 0.558 152 Q CA 0.249 56.055 55.803 0.005 0.000 0.894 152 Q CB -0.305 28.436 28.738 0.004 0.000 0.961 152 Q HN 0.815 9.085 8.270 0.000 0.000 0.213 153 L N 2.110 123.344 121.223 0.018 0.000 2.318 153 L HA 0.927 5.266 4.340 -0.000 0.000 0.277 153 L C -0.959 175.937 176.870 0.043 0.000 1.008 153 L CA 0.195 55.050 54.840 0.024 0.000 0.846 153 L CB 0.352 42.424 42.059 0.021 0.000 1.220 153 L HN 0.614 8.844 8.230 0.000 0.000 0.423 154 A N 4.984 127.833 122.820 0.049 0.000 1.199 154 A HA 0.323 4.643 4.320 -0.000 0.000 0.353 154 A C 0.265 177.904 177.584 0.091 0.000 0.186 154 A CA -0.226 51.859 52.037 0.080 0.000 0.365 154 A CB -0.582 18.492 19.000 0.122 0.000 1.884 154 A HN 0.889 9.039 8.150 0.000 0.000 0.390 155 R N 0.647 121.169 120.500 0.036 0.000 2.558 155 R HA 0.233 4.573 4.340 -0.000 0.000 0.098 155 R C 0.259 176.539 176.300 -0.034 0.000 0.519 155 R CA 0.450 56.550 56.100 -0.001 0.000 0.752 155 R CB -1.120 29.194 30.300 0.024 0.000 0.983 155 R HN 1.712 9.982 8.270 0.000 0.000 0.583 156 S N 0.589 116.270 115.700 -0.032 0.000 2.521 156 S HA 0.592 5.061 4.470 -0.000 0.000 0.278 156 S C 1.390 175.970 174.600 -0.034 0.000 1.140 156 S CA 0.036 58.215 58.200 -0.035 0.000 1.028 156 S CB 1.000 64.184 63.200 -0.027 0.000 1.203 156 S HN 0.433 8.743 8.310 0.000 0.000 0.491 157 A N -0.377 122.439 122.820 -0.007 0.000 2.133 157 A HA 0.327 4.647 4.320 -0.000 0.000 0.198 157 A C 1.517 179.115 177.584 0.024 0.000 1.422 157 A CA 1.460 53.513 52.037 0.028 0.000 1.105 157 A CB -2.158 16.907 19.000 0.108 0.000 0.715 157 A HN 2.111 10.261 8.150 0.000 0.000 0.562 158 G N -2.530 106.258 108.800 -0.020 0.000 2.953 158 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.201 158 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.201 158 G C 0.798 175.700 174.900 0.002 0.000 1.501 158 G CA 0.301 45.382 45.100 -0.031 0.000 1.094 158 G HN 1.195 9.485 8.290 0.000 0.000 0.555 159 T N 1.443 116.071 114.554 0.122 0.000 2.393 159 T HA 0.104 4.454 4.350 -0.000 0.000 0.368 159 T C 0.227 175.188 174.700 0.435 0.000 0.935 159 T CA 1.450 63.739 62.100 0.316 0.000 1.183 159 T CB -0.334 68.653 68.868 0.198 0.000 1.069 159 T HN 1.055 9.295 8.240 0.000 0.000 0.473 160 Y N -1.557 118.792 120.300 0.081 0.000 2.462 160 Y HA 0.676 5.225 4.550 -0.000 0.000 0.346 160 Y C 0.082 176.036 175.900 0.091 0.000 0.976 160 Y CA -1.539 56.628 58.100 0.113 0.000 1.044 160 Y CB 1.416 39.923 38.460 0.079 0.000 1.230 160 Y HN 0.139 8.419 8.280 0.000 0.000 0.455 161 V N 2.962 122.995 119.914 0.200 0.000 2.955 161 V HA 0.030 4.150 4.120 -0.000 0.000 0.379 161 V C 0.474 176.600 176.094 0.054 0.000 1.288 161 V CA -0.192 62.159 62.300 0.084 0.000 1.358 161 V CB -0.156 31.721 31.823 0.091 0.000 1.406 161 V HN 0.873 9.063 8.190 0.000 0.000 0.569 162 Q N 0.659 120.493 119.800 0.056 0.000 2.450 162 Q HA 0.045 4.385 4.340 -0.000 0.000 0.294 162 Q C -0.229 175.781 176.000 0.017 0.000 1.129 162 Q CA 0.405 56.237 55.803 0.050 0.000 0.970 162 Q CB 0.640 29.413 28.738 0.058 0.000 1.294 162 Q HN 0.517 8.787 8.270 0.000 0.000 0.453 163 I N 1.196 121.778 120.570 0.020 0.000 3.674 163 I HA 0.183 4.353 4.170 -0.000 0.000 0.287 163 I C 0.663 176.784 176.117 0.007 0.000 1.270 163 I CA -0.338 60.968 61.300 0.011 0.000 0.949 163 I CB 0.941 38.947 38.000 0.010 0.000 1.474 163 I HN 0.557 8.767 8.210 0.000 0.000 0.636 164 V N -0.952 118.965 119.914 0.005 0.000 3.119 164 V HA 0.609 4.729 4.120 -0.000 0.000 0.245 164 V C -0.027 176.068 176.094 0.001 0.000 1.598 164 V CA 0.510 62.812 62.300 0.004 0.000 1.116 164 V CB 0.669 32.496 31.823 0.006 0.000 0.981 164 V HN 0.893 9.083 8.190 0.000 0.000 0.430 165 A N 0.372 123.190 122.820 -0.003 0.000 2.594 165 A HA 0.837 5.157 4.320 -0.000 0.000 0.296 165 A C -0.965 176.599 177.584 -0.034 0.000 1.061 165 A CA -0.580 51.447 52.037 -0.017 0.000 0.689 165 A CB 1.616 20.607 19.000 -0.015 0.000 1.280 165 A HN 0.187 8.337 8.150 0.000 0.000 0.406 166 R N 0.104 120.573 120.500 -0.051 0.000 2.893 166 R HA 0.852 5.192 4.340 -0.000 0.000 0.245 166 R C -1.439 174.785 176.300 -0.125 0.000 1.192 166 R CA -0.702 55.355 56.100 -0.071 0.000 1.077 166 R CB 1.607 31.878 30.300 -0.048 0.000 1.253 166 R HN 0.810 9.080 8.270 0.000 0.000 0.505 167 D N -2.039 118.274 120.400 -0.144 0.000 2.722 167 D HA 0.158 4.797 4.640 -0.000 0.000 0.231 167 D C 0.378 176.592 176.300 -0.144 0.000 1.218 167 D CA -0.191 53.689 54.000 -0.200 0.000 0.753 167 D CB 1.126 41.671 40.800 -0.425 0.000 1.471 167 D HN 0.448 8.818 8.370 0.000 0.000 0.455 168 G N 1.129 109.862 108.800 -0.112 0.000 2.418 168 G HA2 0.025 3.985 3.960 -0.000 0.000 0.217 168 G HA3 0.025 3.985 3.960 -0.000 0.000 0.217 168 G C 1.179 176.053 174.900 -0.043 0.000 1.158 168 G CA 1.369 46.432 45.100 -0.061 0.000 0.771 168 G HN 0.609 8.899 8.290 0.000 0.000 0.545 169 A N -0.151 122.638 122.820 -0.051 0.000 1.843 169 A HA 0.471 4.791 4.320 -0.000 0.000 0.213 169 A C 1.297 178.930 177.584 0.083 0.000 1.239 169 A CA 1.433 53.490 52.037 0.034 0.000 0.606 169 A CB -0.465 18.601 19.000 0.110 0.000 0.903 169 A HN 0.627 8.777 8.150 0.000 0.000 0.455 170 Y N -3.152 117.150 120.300 0.003 0.000 3.072 170 Y HA 0.748 5.298 4.550 -0.000 0.000 0.314 170 Y C -0.568 175.335 175.900 0.004 0.000 1.446 170 Y CA -1.242 56.861 58.100 0.003 0.000 1.055 170 Y CB 1.053 39.516 38.460 0.003 0.000 1.365 170 Y HN 0.607 8.887 8.280 0.000 0.000 0.657 171 V N 1.080 121.138 119.914 0.240 0.000 2.863 171 V HA 0.206 4.326 4.120 -0.000 0.000 0.259 171 V C 0.403 176.633 176.094 0.225 0.000 1.683 171 V CA 0.035 62.389 62.300 0.090 0.000 0.892 171 V CB 0.937 32.759 31.823 -0.002 0.000 1.222 171 V HN 1.373 9.563 8.190 0.000 0.000 0.469 172 T N 5.337 120.020 114.554 0.216 0.000 2.261 172 T HA -0.049 4.300 4.350 -0.000 0.000 0.201 172 T C 0.802 175.556 174.700 0.089 0.000 1.646 172 T CA 1.543 63.733 62.100 0.152 0.000 1.326 172 T CB -0.606 68.329 68.868 0.111 0.000 0.876 172 T HN 1.937 10.177 8.240 0.000 0.000 0.378 173 L N 0.509 121.766 121.223 0.058 0.000 2.178 173 L HA -0.093 4.247 4.340 -0.000 0.000 0.544 173 L C 1.191 178.080 176.870 0.031 0.000 1.001 173 L CA 0.242 55.105 54.840 0.039 0.000 1.227 173 L CB -0.720 41.364 42.059 0.041 0.000 1.826 173 L HN 0.799 9.029 8.230 0.000 0.000 0.953 174 R N 3.692 124.204 120.500 0.020 0.000 2.310 174 R HA 0.474 4.813 4.340 -0.000 0.000 0.202 174 R C 1.039 177.346 176.300 0.012 0.000 0.933 174 R CA 0.221 56.330 56.100 0.015 0.000 1.054 174 R CB 0.652 30.957 30.300 0.008 0.000 0.985 174 R HN 0.604 8.874 8.270 0.000 0.000 0.489 175 L N -0.618 120.613 121.223 0.014 0.000 7.477 175 L HA -0.390 3.950 4.340 -0.000 0.000 0.053 175 L C 1.294 178.173 176.870 0.015 0.000 1.621 175 L CA 1.157 56.007 54.840 0.017 0.000 1.472 175 L CB -0.701 41.368 42.059 0.017 0.000 2.899 175 L HN 0.221 8.451 8.230 0.000 0.000 1.166 176 R N -0.428 120.083 120.500 0.018 0.000 2.052 176 R HA -0.050 4.289 4.340 -0.000 0.000 0.226 176 R C 1.779 178.090 176.300 0.018 0.000 1.145 176 R CA 2.008 58.121 56.100 0.022 0.000 0.952 176 R CB -0.326 29.990 30.300 0.027 0.000 0.847 176 R HN 0.766 9.036 8.270 0.000 0.000 0.431 177 S N -2.032 113.677 115.700 0.015 0.000 2.524 177 S HA 0.238 4.708 4.470 -0.000 0.000 0.222 177 S C 0.688 175.288 174.600 0.001 0.000 1.040 177 S CA 0.216 58.423 58.200 0.012 0.000 0.915 177 S CB 1.775 64.987 63.200 0.019 0.000 0.831 177 S HN 0.412 8.722 8.310 0.000 0.000 0.492 178 G N 1.076 109.877 108.800 0.001 0.000 2.906 178 G HA2 0.193 4.153 3.960 -0.000 0.000 0.235 178 G HA3 0.193 4.153 3.960 -0.000 0.000 0.235 178 G C -0.917 173.985 174.900 0.004 0.000 3.666 178 G CA -0.420 44.680 45.100 -0.000 0.000 0.647 178 G HN 0.366 8.656 8.290 0.000 0.000 0.417 179 E N 2.506 122.710 120.200 0.007 0.000 2.502 179 E HA 0.306 4.656 4.350 -0.000 0.000 0.261 179 E C 0.415 177.025 176.600 0.015 0.000 0.974 179 E CA -1.039 55.367 56.400 0.011 0.000 0.795 179 E CB 0.367 30.073 29.700 0.010 0.000 1.385 179 E HN 0.175 8.535 8.360 0.000 0.000 0.400 180 M N 3.411 123.022 119.600 0.019 0.000 2.861 180 M HA 0.003 4.483 4.480 -0.000 0.000 0.347 180 M C 0.201 176.516 176.300 0.024 0.000 1.791 180 M CA 0.629 55.944 55.300 0.025 0.000 1.332 180 M CB -1.221 31.397 32.600 0.030 0.000 2.040 180 M HN 0.343 8.633 8.290 0.000 0.000 0.463 181 R N 4.384 124.899 120.500 0.026 0.000 2.278 181 R HA 0.267 4.607 4.340 -0.000 0.000 0.322 181 R C -0.174 176.148 176.300 0.036 0.000 1.058 181 R CA -0.468 55.646 56.100 0.024 0.000 0.991 181 R CB 0.484 30.796 30.300 0.021 0.000 1.140 181 R HN 0.597 8.867 8.270 0.000 0.000 0.518 182 K N 2.104 122.524 120.400 0.034 0.000 2.180 182 K HA 0.504 4.824 4.320 -0.000 0.000 0.251 182 K C -0.526 176.108 176.600 0.056 0.000 1.014 182 K CA -0.590 55.736 56.287 0.064 0.000 0.913 182 K CB 0.980 33.488 32.500 0.014 0.000 1.008 182 K HN 0.264 8.514 8.250 0.000 0.000 0.490 183 V N -3.174 116.800 119.914 0.101 0.000 3.285 183 V HA 0.242 4.362 4.120 -0.000 0.000 0.293 183 V C -0.308 175.853 176.094 0.112 0.000 1.563 183 V CA -1.330 61.017 62.300 0.078 0.000 1.058 183 V CB 0.961 32.815 31.823 0.053 0.000 1.142 183 V HN 1.056 9.246 8.190 0.000 0.000 0.470 184 E N 0.492 120.737 120.200 0.075 0.000 2.569 184 E HA 0.542 4.892 4.350 -0.000 0.000 0.258 184 E C -0.041 176.595 176.600 0.060 0.000 1.390 184 E CA 0.117 56.560 56.400 0.072 0.000 1.049 184 E CB 1.020 30.746 29.700 0.045 0.000 1.009 184 E HN 1.263 9.623 8.360 0.000 0.000 0.580 185 A N 1.940 124.786 122.820 0.043 0.000 2.978 185 A HA 0.293 4.613 4.320 -0.000 0.000 0.341 185 A C -0.775 176.818 177.584 0.016 0.000 1.105 185 A CA -0.419 51.631 52.037 0.023 0.000 0.819 185 A CB 0.358 19.364 19.000 0.011 0.000 1.080 185 A HN 0.583 8.733 8.150 0.000 0.000 0.476 186 D N -0.419 119.991 120.400 0.016 0.000 2.599 186 D HA 0.035 4.675 4.640 -0.000 0.000 0.472 186 D C 0.547 176.855 176.300 0.013 0.000 1.161 186 D CA 0.178 54.186 54.000 0.013 0.000 1.048 186 D CB -0.000 40.808 40.800 0.014 0.000 1.602 186 D HN 0.480 8.850 8.370 0.000 0.000 0.380 187 C N 1.476 120.785 119.300 0.014 0.000 2.457 187 C HA 0.593 5.053 4.460 -0.000 0.000 0.262 187 C C 0.839 175.834 174.990 0.008 0.000 2.638 187 C CA -0.348 58.677 59.018 0.011 0.000 1.785 187 C CB -0.015 27.733 27.740 0.014 0.000 1.919 187 C HN 0.187 8.417 8.230 0.000 0.000 0.507 188 R N -0.549 119.954 120.500 0.004 0.000 2.741 188 R HA 0.723 5.063 4.340 -0.000 0.000 0.274 188 R C -1.490 174.806 176.300 -0.008 0.000 1.029 188 R CA -0.386 55.713 56.100 -0.002 0.000 0.880 188 R CB 1.157 31.455 30.300 -0.003 0.000 1.264 188 R HN 0.977 9.247 8.270 0.000 0.000 0.465 189 A N 0.152 122.960 122.820 -0.019 0.000 2.583 189 A HA 0.556 4.876 4.320 -0.000 0.000 0.292 189 A C -1.132 176.407 177.584 -0.075 0.000 1.045 189 A CA -0.567 51.449 52.037 -0.036 0.000 0.672 189 A CB 1.882 20.870 19.000 -0.020 0.000 1.283 189 A HN 0.488 8.638 8.150 0.000 0.000 0.419 190 T N 1.043 115.505 114.554 -0.153 0.000 2.899 190 T HA 0.563 4.912 4.350 -0.000 0.000 0.284 190 T C -0.309 174.237 174.700 -0.257 0.000 1.004 190 T CA -0.126 61.806 62.100 -0.280 0.000 1.043 190 T CB 0.667 69.163 68.868 -0.621 0.000 1.013 190 T HN 0.597 8.837 8.240 0.000 0.000 0.518 191 L N 2.324 123.433 121.223 -0.190 0.000 2.313 191 L HA 0.658 4.998 4.340 -0.000 0.000 0.283 191 L C 0.486 177.343 176.870 -0.022 0.000 1.013 191 L CA 0.309 55.106 54.840 -0.071 0.000 0.816 191 L CB 0.336 42.380 42.059 -0.025 0.000 1.236 191 L HN 0.935 9.165 8.230 0.000 0.000 0.419 192 G N 4.266 113.110 108.800 0.074 0.000 2.341 192 G HA2 -0.095 3.864 3.960 -0.000 0.000 0.196 192 G HA3 -0.095 3.864 3.960 -0.000 0.000 0.196 192 G C -1.033 174.045 174.900 0.296 0.000 1.231 192 G CA -0.327 44.853 45.100 0.134 0.000 1.155 192 G HN 0.609 8.899 8.290 0.000 0.000 0.529 193 E N -2.108 118.219 120.200 0.211 0.000 2.437 193 E HA 0.753 5.103 4.350 -0.000 0.000 0.253 193 E C 0.194 176.701 176.600 -0.155 0.000 0.905 193 E CA -0.494 55.923 56.400 0.028 0.000 0.871 193 E CB 2.168 31.825 29.700 -0.072 0.000 1.649 193 E HN 0.570 8.930 8.360 0.000 0.000 0.422 194 V N -1.132 118.652 119.914 -0.216 0.000 6.981 194 V HA 0.545 4.664 4.120 -0.000 0.000 0.267 194 V C 0.153 176.197 176.094 -0.084 0.000 1.691 194 V CA -0.403 61.785 62.300 -0.187 0.000 0.587 194 V CB 0.472 32.129 31.823 -0.276 0.000 1.625 194 V HN 0.673 8.863 8.190 0.000 0.000 0.354 195 G N 2.302 111.062 108.800 -0.067 0.000 2.428 195 G HA2 0.385 4.344 3.960 -0.000 0.000 0.320 195 G HA3 0.385 4.344 3.960 -0.000 0.000 0.320 195 G C -0.042 174.847 174.900 -0.019 0.000 1.098 195 G CA -0.120 44.959 45.100 -0.034 0.000 0.984 195 G HN 0.725 9.015 8.290 0.000 0.000 0.444 196 N N 1.440 120.132 118.700 -0.013 0.000 1.471 196 N HA -0.176 4.563 4.740 -0.000 0.000 0.436 196 N C 0.473 175.985 175.510 0.003 0.000 1.094 196 N CA 0.859 53.907 53.050 -0.005 0.000 0.927 196 N CB 0.375 38.861 38.487 -0.001 0.000 0.900 196 N HN 0.797 9.177 8.380 0.000 0.000 0.602 197 A N 3.223 126.047 122.820 0.007 0.000 2.386 197 A HA 0.302 4.621 4.320 -0.000 0.000 0.246 197 A C 0.056 177.650 177.584 0.016 0.000 1.089 197 A CA 0.249 52.296 52.037 0.017 0.000 0.790 197 A CB -0.128 18.881 19.000 0.015 0.000 1.042 197 A HN 0.845 8.995 8.150 0.000 0.000 0.497 198 E N 0.118 120.345 120.200 0.044 0.000 0.918 198 E HA -0.226 4.124 4.350 -0.000 0.000 0.369 198 E C 0.720 177.365 176.600 0.075 0.000 0.593 198 E CA 1.379 57.815 56.400 0.059 0.000 1.394 198 E CB -0.298 29.425 29.700 0.039 0.000 0.264 198 E HN 0.785 9.145 8.360 0.000 0.000 0.371 199 H N 3.884 122.963 119.070 0.014 0.000 2.406 199 H HA 0.037 4.592 4.556 -0.001 0.000 0.304 199 H C 1.844 177.180 175.328 0.013 0.000 1.042 199 H CA 1.289 57.344 56.048 0.011 0.000 1.360 199 H CB 0.085 29.854 29.762 0.012 0.000 1.448 199 H HN 0.683 8.963 8.280 0.000 0.000 0.553 200 M N 0.469 119.982 119.600 -0.145 0.000 2.435 200 M HA -0.048 4.432 4.480 -0.000 0.000 0.262 200 M C 1.492 177.702 176.300 -0.150 0.000 1.065 200 M CA 1.300 56.493 55.300 -0.177 0.000 1.076 200 M CB -0.445 32.158 32.600 0.006 0.000 1.403 200 M HN 0.115 8.405 8.290 0.000 0.000 0.454 201 L N 0.547 121.709 121.223 -0.102 0.000 2.141 201 L HA -0.036 4.304 4.340 -0.000 0.000 0.209 201 L C 1.952 178.768 176.870 -0.090 0.000 1.094 201 L CA 0.795 55.596 54.840 -0.065 0.000 0.763 201 L CB -0.499 41.544 42.059 -0.027 0.000 0.908 201 L HN 0.394 8.624 8.230 0.000 0.000 0.437 202 R N 1.784 122.199 120.500 -0.142 0.000 3.206 202 R HA 0.140 4.480 4.340 -0.000 0.000 0.209 202 R C 0.135 176.352 176.300 -0.138 0.000 1.632 202 R CA -0.331 55.693 56.100 -0.126 0.000 1.234 202 R CB -0.340 29.882 30.300 -0.130 0.000 1.270 202 R HN 0.098 8.368 8.270 0.000 0.000 0.665 203 V N 1.611 121.470 119.914 -0.092 0.000 3.378 203 V HA -0.187 3.932 4.120 -0.000 0.000 0.289 203 V C 1.376 177.431 176.094 -0.064 0.000 1.269 203 V CA 0.338 62.595 62.300 -0.071 0.000 1.372 203 V CB 0.199 31.995 31.823 -0.044 0.000 1.017 203 V HN 0.639 8.829 8.190 0.000 0.000 0.518 204 L N 2.446 123.642 121.223 -0.045 0.000 2.056 204 L HA 0.409 4.749 4.340 -0.000 0.000 0.202 204 L C 2.447 179.301 176.870 -0.027 0.000 1.086 204 L CA 1.430 56.252 54.840 -0.029 0.000 0.758 204 L CB -1.184 40.868 42.059 -0.011 0.000 0.912 204 L HN 1.213 9.443 8.230 0.000 0.000 0.446 205 G N -0.219 108.567 108.800 -0.022 0.000 4.365 205 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.214 205 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.214 205 G C 0.367 175.258 174.900 -0.015 0.000 1.450 205 G CA 0.060 45.148 45.100 -0.019 0.000 0.937 205 G HN 0.269 8.559 8.290 0.000 0.000 0.625 206 K N 1.184 121.576 120.400 -0.014 0.000 2.126 206 K HA 0.673 4.993 4.320 -0.000 0.000 0.257 206 K C 1.430 178.031 176.600 0.002 0.000 1.007 206 K CA 0.001 56.283 56.287 -0.008 0.000 0.928 206 K CB 1.364 33.857 32.500 -0.011 0.000 1.013 206 K HN 0.534 8.784 8.250 0.000 0.000 0.473 207 A N 1.486 124.309 122.820 0.005 0.000 2.016 207 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 207 A C 2.010 179.612 177.584 0.030 0.000 1.162 207 A CA 1.443 53.488 52.037 0.012 0.000 0.662 207 A CB -0.680 18.324 19.000 0.008 0.000 0.812 207 A HN 0.905 9.055 8.150 0.000 0.000 0.450 208 G N -0.409 108.410 108.800 0.031 0.000 2.443 208 G HA2 0.079 4.039 3.960 -0.000 0.000 0.219 208 G HA3 0.079 4.039 3.960 -0.000 0.000 0.219 208 G C 1.583 176.535 174.900 0.088 0.000 1.131 208 G CA 1.101 46.234 45.100 0.055 0.000 0.775 208 G HN 0.688 8.978 8.290 0.000 0.000 0.547 209 A N 0.892 123.745 122.820 0.056 0.000 1.968 209 A HA 0.417 4.736 4.320 -0.000 0.000 0.217 209 A C 2.671 180.331 177.584 0.127 0.000 1.169 209 A CA 1.857 53.936 52.037 0.070 0.000 0.638 209 A CB -0.416 18.593 19.000 0.014 0.000 0.812 209 A HN 0.618 8.768 8.150 0.000 0.000 0.446 210 A N -0.751 122.120 122.820 0.086 0.000 2.016 210 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 210 A C 2.159 179.793 177.584 0.085 0.000 1.162 210 A CA 0.772 52.853 52.037 0.074 0.000 0.662 210 A CB -0.269 18.751 19.000 0.033 0.000 0.812 210 A HN 0.343 8.493 8.150 0.000 0.000 0.450 211 R N -1.793 118.765 120.500 0.097 0.000 2.115 211 R HA -0.118 4.221 4.340 -0.000 0.000 0.226 211 R C 1.814 178.182 176.300 0.113 0.000 1.100 211 R CA 1.022 57.172 56.100 0.082 0.000 0.980 211 R CB -0.703 29.642 30.300 0.074 0.000 0.875 211 R HN 0.770 9.040 8.270 0.000 0.000 0.445 212 W N 2.177 123.473 121.300 -0.006 0.000 2.353 212 W HA -0.144 4.516 4.660 -0.000 0.000 0.319 212 W C 1.931 178.448 176.519 -0.004 0.000 1.207 212 W CA 1.477 58.819 57.345 -0.004 0.000 1.291 212 W CB -0.171 29.289 29.460 -0.000 0.000 1.159 212 W HN -0.079 8.101 8.180 0.000 0.000 0.478 213 R N -0.171 120.469 120.500 0.233 0.000 2.339 213 R HA 0.026 4.366 4.340 -0.000 0.000 0.199 213 R C 2.073 178.360 176.300 -0.022 0.000 1.018 213 R CA 0.711 56.854 56.100 0.072 0.000 1.036 213 R CB -0.790 29.625 30.300 0.192 0.000 0.899 213 R HN 0.284 8.554 8.270 0.000 0.000 0.473 214 G N 0.387 109.177 108.800 -0.016 0.000 2.776 214 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.209 214 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.209 214 G C 1.185 176.038 174.900 -0.078 0.000 1.145 214 G CA 0.001 45.081 45.100 -0.033 0.000 0.791 214 G HN 0.224 8.514 8.290 0.000 0.000 0.530 215 V N -0.508 119.324 119.914 -0.138 0.000 2.667 215 V HA 0.249 4.369 4.120 -0.000 0.000 0.252 215 V C 1.267 177.288 176.094 -0.123 0.000 1.065 215 V CA 1.172 63.376 62.300 -0.160 0.000 1.083 215 V CB -0.054 31.614 31.823 -0.258 0.000 0.692 215 V HN 0.273 8.463 8.190 0.000 0.000 0.468 216 R N 0.053 120.490 120.500 -0.106 0.000 2.606 216 R HA 0.240 4.580 4.340 -0.000 0.000 0.202 216 R C -2.689 173.579 176.300 -0.053 0.000 1.371 216 R CA -0.590 55.464 56.100 -0.078 0.000 1.355 216 R CB 0.082 30.331 30.300 -0.084 0.000 1.477 216 R HN 0.460 8.730 8.270 0.000 0.000 0.775 217 P HA 0.381 4.801 4.420 0.000 0.000 0.344 217 P C -0.033 177.260 177.300 -0.012 0.000 1.321 217 P CA 0.057 63.148 63.100 -0.015 0.000 0.773 217 P CB 1.059 32.755 31.700 -0.007 0.000 1.723 218 T N -2.217 112.334 114.554 -0.004 0.000 3.941 218 T HA 0.427 4.777 4.350 -0.000 0.000 0.320 218 T C -1.407 173.289 174.700 -0.005 0.000 0.912 218 T CA -0.192 61.906 62.100 -0.003 0.000 0.989 218 T CB -0.838 68.032 68.868 0.003 0.000 1.177 218 T HN 0.224 8.464 8.240 0.000 0.000 0.507 219 V N 1.461 121.351 119.914 -0.041 0.000 2.827 219 V HA 0.327 4.446 4.120 -0.000 0.000 0.250 219 V C -0.297 175.742 176.094 -0.092 0.000 1.755 219 V CA -1.377 60.889 62.300 -0.056 0.000 0.888 219 V CB 1.726 33.512 31.823 -0.062 0.000 1.303 219 V HN 0.329 8.519 8.190 0.000 0.000 0.470 220 R N 1.528 121.979 120.500 -0.082 0.000 2.801 220 R HA 0.427 4.767 4.340 -0.000 0.000 0.273 220 R C 1.434 177.633 176.300 -0.168 0.000 1.080 220 R CA 0.468 56.508 56.100 -0.100 0.000 1.197 220 R CB 0.435 30.691 30.300 -0.074 0.000 1.109 220 R HN 0.972 9.242 8.270 0.000 0.000 0.535 221 G N -0.803 107.899 108.800 -0.164 0.000 2.408 221 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.213 221 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.213 221 G C 1.055 175.934 174.900 -0.036 0.000 1.177 221 G CA 0.483 45.529 45.100 -0.089 0.000 0.802 221 G HN 0.556 8.846 8.290 0.000 0.000 0.533 222 T N 0.586 114.943 114.554 -0.329 0.000 3.509 222 T HA 0.485 4.835 4.350 -0.000 0.000 0.250 222 T C 1.502 176.077 174.700 -0.209 0.000 1.076 222 T CA 0.983 62.833 62.100 -0.417 0.000 0.966 222 T CB -0.362 67.956 68.868 -0.916 0.000 1.046 222 T HN 0.270 8.510 8.240 0.000 0.000 0.591 223 A N 0.134 122.879 122.820 -0.125 0.000 2.312 223 A HA 0.538 4.857 4.320 -0.000 0.000 0.215 223 A C 0.820 178.378 177.584 -0.044 0.000 1.256 223 A CA -0.242 51.749 52.037 -0.077 0.000 0.966 223 A CB 0.271 19.229 19.000 -0.069 0.000 1.053 223 A HN 0.538 8.688 8.150 0.000 0.000 0.510 224 M N 0.152 119.733 119.600 -0.032 0.000 2.513 224 M HA 0.317 4.797 4.480 -0.000 0.000 0.250 224 M C -0.272 176.034 176.300 0.010 0.000 1.145 224 M CA -0.729 54.568 55.300 -0.005 0.000 0.948 224 M CB 0.209 32.812 32.600 0.005 0.000 1.405 224 M HN 0.112 8.402 8.290 0.000 0.000 0.546 225 N N 1.495 120.205 118.700 0.018 0.000 2.463 225 N HA 0.230 4.969 4.740 -0.000 0.000 0.270 225 N C -1.913 173.608 175.510 0.020 0.000 1.205 225 N CA -1.139 51.919 53.050 0.014 0.000 0.974 225 N CB 0.549 39.043 38.487 0.011 0.000 1.197 225 N HN 0.364 8.744 8.380 0.000 0.000 0.504 226 P HA -0.091 4.329 4.420 0.000 0.000 0.223 226 P C 1.255 178.549 177.300 -0.010 0.000 1.151 226 P CA 0.824 63.920 63.100 -0.007 0.000 0.787 226 P CB 0.466 32.162 31.700 -0.007 0.000 0.788 227 V N 0.204 120.119 119.914 0.000 0.000 2.788 227 V HA -0.048 4.072 4.120 -0.000 0.000 0.251 227 V C 1.702 177.801 176.094 0.009 0.000 1.068 227 V CA 1.727 64.027 62.300 -0.000 0.000 1.090 227 V CB -0.674 31.149 31.823 0.001 0.000 0.710 227 V HN -0.065 8.125 8.190 0.000 0.000 0.467 228 D N -1.341 119.075 120.400 0.026 0.000 2.216 228 D HA 0.092 4.732 4.640 -0.000 0.000 0.208 228 D C 0.348 176.714 176.300 0.109 0.000 0.960 228 D CA 0.763 54.792 54.000 0.048 0.000 0.861 228 D CB 0.356 41.180 40.800 0.040 0.000 0.985 228 D HN 0.568 8.938 8.370 0.000 0.000 0.493 229 H N -1.451 117.595 119.070 -0.040 0.000 2.954 229 H HA 0.223 4.778 4.556 -0.001 0.000 0.361 229 H C -2.088 173.182 175.328 -0.097 0.000 1.122 229 H CA -1.355 54.655 56.048 -0.062 0.000 1.217 229 H CB 2.425 32.160 29.762 -0.046 0.000 1.776 229 H HN -0.323 7.957 8.280 0.000 0.000 0.533 230 P HA -0.220 4.200 4.420 0.000 0.000 0.216 230 P C 1.086 178.170 177.300 -0.359 0.000 1.154 230 P CA 1.525 64.348 63.100 -0.462 0.000 0.865 230 P CB 0.234 31.583 31.700 -0.585 0.000 0.789 231 H N -0.829 118.070 119.070 -0.285 0.000 2.357 231 H HA 0.045 4.601 4.556 -0.000 0.000 0.301 231 H C 1.451 176.694 175.328 -0.142 0.000 1.082 231 H CA 1.202 57.132 56.048 -0.197 0.000 1.342 231 H CB -1.254 28.373 29.762 -0.224 0.000 1.389 231 H HN 0.086 8.367 8.280 0.000 0.000 0.511 232 G N 0.095 108.927 108.800 0.053 0.000 2.583 232 G HA2 0.296 4.256 3.960 -0.000 0.000 0.230 232 G HA3 0.296 4.256 3.960 -0.000 0.000 0.230 232 G C 0.436 175.330 174.900 -0.010 0.000 1.249 232 G CA 0.767 45.871 45.100 0.007 0.000 0.857 232 G HN 0.718 9.008 8.290 0.000 0.000 0.569 233 G N -1.181 107.610 108.800 -0.015 0.000 2.423 233 G HA2 0.628 4.588 3.960 -0.000 0.000 0.684 233 G HA3 0.628 4.588 3.960 -0.000 0.000 0.684 233 G C 0.313 175.209 174.900 -0.007 0.000 1.309 233 G CA 0.431 45.527 45.100 -0.007 0.000 0.950 233 G HN 2.938 11.228 8.290 0.000 0.000 0.587 234 G N -1.147 107.654 108.800 0.002 0.000 2.746 234 G HA2 0.182 4.141 3.960 -0.000 0.000 0.685 234 G HA3 0.182 4.141 3.960 -0.000 0.000 0.685 234 G C 0.518 175.420 174.900 0.003 0.000 1.350 234 G CA 0.774 45.878 45.100 0.007 0.000 0.837 234 G HN 1.334 9.624 8.290 0.000 0.000 0.564 235 E N -0.068 120.137 120.200 0.007 0.000 2.107 235 E HA 0.182 4.531 4.350 -0.000 0.000 0.191 235 E C 1.643 178.245 176.600 0.002 0.000 0.982 235 E CA 1.001 57.404 56.400 0.005 0.000 0.809 235 E CB 0.062 29.767 29.700 0.007 0.000 0.756 235 E HN 0.859 9.219 8.360 0.000 0.000 0.459 236 G N 0.020 108.823 108.800 0.005 0.000 2.685 236 G HA2 0.389 4.348 3.960 -0.000 0.000 0.298 236 G HA3 0.389 4.348 3.960 -0.000 0.000 0.298 236 G C -0.807 174.090 174.900 -0.005 0.000 1.277 236 G CA -0.885 44.216 45.100 0.002 0.000 0.986 236 G HN -0.058 8.232 8.290 0.000 0.000 0.487 237 R N 1.748 122.241 120.500 -0.012 0.000 2.853 237 R HA 0.164 4.504 4.340 -0.000 0.000 0.238 237 R C -0.593 175.697 176.300 -0.018 0.000 1.538 237 R CA 0.021 56.099 56.100 -0.037 0.000 1.166 237 R CB -0.441 29.835 30.300 -0.039 0.000 1.201 237 R HN 0.326 8.596 8.270 0.000 0.000 0.606 238 N N 1.630 120.321 118.700 -0.015 0.000 2.284 238 N HA 0.253 4.993 4.740 -0.000 0.000 0.289 238 N C -0.936 174.610 175.510 0.060 0.000 1.179 238 N CA -0.700 52.403 53.050 0.088 0.000 0.774 238 N CB 1.297 39.846 38.487 0.103 0.000 1.548 238 N HN 0.072 8.452 8.380 0.000 0.000 0.473 239 F N 1.275 121.225 119.950 -0.000 0.000 2.466 239 F HA 0.209 4.736 4.527 -0.000 0.000 0.363 239 F C 1.971 177.806 175.800 0.058 0.000 1.109 239 F CA -0.351 57.663 58.000 0.024 0.000 1.161 239 F CB -0.020 38.973 39.000 -0.012 0.000 1.117 239 F HN 0.684 8.984 8.300 0.000 0.000 0.539 240 G N 3.331 112.242 108.800 0.185 0.000 2.649 240 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.220 240 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.220 240 G C 1.492 176.489 174.900 0.161 0.000 1.189 240 G CA 2.059 47.241 45.100 0.137 0.000 0.777 240 G HN 0.679 8.969 8.290 0.000 0.000 0.602 241 K N -3.988 116.542 120.400 0.217 0.000 3.070 241 K HA -0.006 4.314 4.320 -0.000 0.000 0.218 241 K C 0.933 177.718 176.600 0.309 0.000 2.314 241 K CA 1.138 57.546 56.287 0.201 0.000 1.503 241 K CB -0.179 32.398 32.500 0.128 0.000 2.593 241 K HN 0.443 8.693 8.250 0.000 0.000 0.546 242 H N 1.133 120.289 119.070 0.143 0.000 4.697 242 H HA -0.101 4.454 4.556 -0.001 0.000 0.066 242 H C -2.203 173.166 175.328 0.069 0.000 0.621 242 H CA 1.200 57.325 56.048 0.129 0.000 0.914 242 H CB -1.947 27.970 29.762 0.257 0.000 0.413 242 H HN 0.403 8.683 8.280 0.000 0.000 0.811 243 P HA 0.232 4.652 4.420 0.000 0.000 0.271 243 P C -0.803 176.494 177.300 -0.005 0.000 1.216 243 P CA 0.769 63.823 63.100 -0.078 0.000 0.776 243 P CB 1.573 33.242 31.700 -0.053 0.000 0.881 244 V N -0.015 119.892 119.914 -0.013 0.000 2.407 244 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 244 V C 0.116 176.233 176.094 0.038 0.000 1.018 244 V CA -0.594 61.719 62.300 0.021 0.000 0.842 244 V CB 0.776 32.611 31.823 0.020 0.000 0.996 244 V HN 0.410 8.600 8.190 0.000 0.000 0.426 245 T N 7.397 121.992 114.554 0.067 0.000 2.940 245 T HA 0.173 4.522 4.350 -0.000 0.000 0.309 245 T C -1.394 173.400 174.700 0.156 0.000 1.056 245 T CA 0.057 62.228 62.100 0.119 0.000 1.137 245 T CB 1.022 69.974 68.868 0.141 0.000 0.976 245 T HN 0.676 8.916 8.240 0.000 0.000 0.547 246 P HA -0.098 4.322 4.420 0.000 0.000 0.219 246 P C 0.607 177.936 177.300 0.049 0.000 1.144 246 P CA 0.917 64.057 63.100 0.066 0.000 0.806 246 P CB 0.021 31.733 31.700 0.019 0.000 0.771 247 W N -0.017 121.280 121.300 -0.006 0.000 2.699 247 W HA 0.147 4.807 4.660 -0.000 0.000 0.249 247 W C 1.423 177.941 176.519 -0.003 0.000 1.280 247 W CA 0.660 58.003 57.345 -0.004 0.000 1.345 247 W CB -0.972 28.486 29.460 -0.003 0.000 1.128 247 W HN -0.130 8.050 8.180 0.000 0.000 0.642 248 G N 1.420 110.330 108.800 0.183 0.000 2.356 248 G HA2 0.325 4.285 3.960 -0.000 0.000 0.273 248 G HA3 0.325 4.285 3.960 -0.000 0.000 0.273 248 G C 0.298 175.234 174.900 0.060 0.000 1.213 248 G CA -0.330 44.836 45.100 0.109 0.000 0.955 248 G HN -0.018 8.272 8.290 0.000 0.000 0.454 249 V N 1.480 121.427 119.914 0.055 0.000 3.697 249 V HA 0.402 4.522 4.120 -0.000 0.000 0.285 249 V C 0.800 176.905 176.094 0.018 0.000 1.041 249 V CA -0.985 61.331 62.300 0.026 0.000 1.045 249 V CB 0.677 32.517 31.823 0.028 0.000 1.227 249 V HN 0.832 9.022 8.190 0.000 0.000 0.448 250 Q N -0.459 119.346 119.800 0.008 0.000 2.540 250 Q HA 0.107 4.447 4.340 -0.000 0.000 0.256 250 Q C 0.702 176.708 176.000 0.010 0.000 1.084 250 Q CA 0.869 56.676 55.803 0.006 0.000 0.956 250 Q CB -0.228 28.511 28.738 0.001 0.000 1.303 250 Q HN 1.172 9.442 8.270 0.000 0.000 0.509 251 T N -0.775 113.784 114.554 0.008 0.000 11.666 251 T HA -0.254 4.096 4.350 -0.000 0.000 0.399 251 T C 0.984 175.691 174.700 0.012 0.000 1.591 251 T CA 2.049 64.154 62.100 0.009 0.000 2.578 251 T CB -1.052 67.822 68.868 0.010 0.000 2.705 251 T HN 0.773 9.013 8.240 0.000 0.000 0.852 252 K N 1.383 121.793 120.400 0.017 0.000 2.335 252 K HA 0.317 4.636 4.320 -0.000 0.000 0.195 252 K C 1.212 177.825 176.600 0.022 0.000 1.058 252 K CA 0.741 57.042 56.287 0.022 0.000 0.988 252 K CB 0.381 32.899 32.500 0.029 0.000 0.880 252 K HN 0.392 8.642 8.250 0.000 0.000 0.513 253 G N 2.265 111.076 108.800 0.020 0.000 2.519 253 G HA2 0.172 4.132 3.960 -0.000 0.000 0.306 253 G HA3 0.172 4.132 3.960 -0.000 0.000 0.306 253 G C -0.755 174.150 174.900 0.007 0.000 0.965 253 G CA -0.037 45.073 45.100 0.017 0.000 1.291 253 G HN 0.121 8.411 8.290 0.000 0.000 0.450 254 K N 1.084 121.488 120.400 0.007 0.000 2.234 254 K HA 0.509 4.828 4.320 -0.000 0.000 0.263 254 K C 0.436 177.035 176.600 -0.002 0.000 1.006 254 K CA -0.971 55.316 56.287 -0.001 0.000 0.854 254 K CB 1.737 34.236 32.500 -0.002 0.000 1.497 254 K HN 0.385 8.635 8.250 0.000 0.000 0.417 255 K N -0.586 119.808 120.400 -0.010 0.000 2.409 255 K HA -0.244 4.075 4.320 -0.000 0.000 0.157 255 K C -0.087 176.504 176.600 -0.016 0.000 0.912 255 K CA 2.091 58.376 56.287 -0.004 0.000 0.367 255 K CB -1.532 30.998 32.500 0.049 0.000 0.739 255 K HN 0.574 8.824 8.250 0.000 0.000 0.746 256 T N 1.615 116.137 114.554 -0.054 0.000 2.797 256 T HA 0.541 4.890 4.350 -0.000 0.000 0.279 256 T C -1.206 173.424 174.700 -0.117 0.000 0.991 256 T CA -0.728 61.285 62.100 -0.145 0.000 0.979 256 T CB 0.728 69.344 68.868 -0.421 0.000 0.943 256 T HN 0.388 8.628 8.240 0.000 0.000 0.444 257 R N 2.848 123.304 120.500 -0.074 0.000 2.589 257 R HA 0.640 4.980 4.340 -0.000 0.000 0.293 257 R C 0.105 176.381 176.300 -0.040 0.000 0.963 257 R CA -0.348 55.726 56.100 -0.044 0.000 0.905 257 R CB 0.942 31.228 30.300 -0.023 0.000 1.144 257 R HN 0.713 8.983 8.270 0.000 0.000 0.459 258 S N 1.423 117.110 115.700 -0.022 0.000 3.405 258 S HA -0.227 4.243 4.470 -0.000 0.000 0.373 258 S C -0.693 173.893 174.600 -0.023 0.000 0.939 258 S CA 0.692 58.886 58.200 -0.010 0.000 1.295 258 S CB -2.138 61.062 63.200 -0.000 0.000 0.919 258 S HN 0.985 9.295 8.310 0.000 0.000 0.535 259 N N 0.490 119.165 118.700 -0.042 0.000 2.443 259 N HA 0.361 5.101 4.740 -0.000 0.000 0.269 259 N C 0.647 176.141 175.510 -0.025 0.000 0.985 259 N CA -1.206 51.817 53.050 -0.045 0.000 0.921 259 N CB 1.391 39.820 38.487 -0.096 0.000 1.195 259 N HN 0.082 8.462 8.380 0.000 0.000 0.492 260 K N 1.555 121.950 120.400 -0.009 0.000 2.152 260 K HA -0.029 4.290 4.320 -0.000 0.000 0.206 260 K C 0.394 176.994 176.600 -0.000 0.000 1.048 260 K CA 1.152 57.438 56.287 -0.001 0.000 0.933 260 K CB 0.036 32.538 32.500 0.003 0.000 0.721 260 K HN 0.617 8.867 8.250 0.000 0.000 0.447 261 R N -0.478 120.024 120.500 0.004 0.000 2.744 261 R HA 0.233 4.573 4.340 -0.000 0.000 0.279 261 R C -0.120 176.201 176.300 0.036 0.000 0.977 261 R CA -0.317 55.790 56.100 0.013 0.000 0.906 261 R CB 2.122 32.431 30.300 0.015 0.000 1.197 261 R HN -0.082 8.188 8.270 0.000 0.000 0.463 262 T N -1.188 113.397 114.554 0.051 0.000 2.867 262 T HA 0.028 4.378 4.350 -0.000 0.000 0.286 262 T C 0.822 175.594 174.700 0.120 0.000 1.022 262 T CA -0.371 61.816 62.100 0.145 0.000 0.933 262 T CB 0.909 69.853 68.868 0.126 0.000 1.280 262 T HN 0.569 8.809 8.240 0.000 0.000 0.566 263 D N -0.114 120.383 120.400 0.162 0.000 2.083 263 D HA 0.077 4.717 4.640 -0.000 0.000 0.199 263 D C 0.387 176.669 176.300 -0.031 0.000 0.980 263 D CA 1.419 55.480 54.000 0.102 0.000 0.851 263 D CB 0.259 41.156 40.800 0.162 0.000 0.997 263 D HN 0.452 8.822 8.370 0.000 0.000 0.449 264 K N 0.000 120.279 120.400 -0.201 0.000 2.780 264 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 264 K CA 0.000 56.139 56.287 -0.247 0.000 0.838 264 K CB 0.000 32.428 32.500 -0.120 0.000 1.064 264 K HN 0.000 8.250 8.250 0.000 0.000 0.543