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 3f8w_1_B DATA FIRST_RESID 4 DATA SEQUENCE SVTANIENVK KVAHHIQKLT SIVPEIGIIC GSGLGKLADG VKDKITIPYT DATA SEQUENCE KIPNFPQTSV VGHSGNLIFG TLSGRKVVVM QGRFHMYEGY SNDTVALPIR DATA SEQUENCE VMKLLGVKIL MVSNAAGGLN RSLKLGDFVI LKDHIYLPGL GLNNILVGPN DATA SEQUENCE QEAFGTRFPA LSNAYDRDLR KLAVQVAEEN GFGNLVHQGV YVMNGGPCYE DATA SEQUENCE TPAECTMLLN MGCDVVGMST IPEVVIARHC GIQVFAVSLV TNISVLDVES DATA SEQUENCE DLKPNHEEVL ATGAQRAELM QSWFEKIIEK LPKD 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 4 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 4 S C 0.000 174.562 174.600 -0.064 0.000 1.055 4 S CA 0.000 58.165 58.200 -0.058 0.000 1.107 4 S CB 0.000 63.153 63.200 -0.079 0.000 0.593 5 V N 2.132 121.997 119.914 -0.082 0.000 2.465 5 V HA 0.707 4.832 4.120 0.007 0.000 0.279 5 V C 0.174 176.220 176.094 -0.081 0.000 1.045 5 V CA 0.125 62.382 62.300 -0.071 0.000 0.938 5 V CB 0.592 32.374 31.823 -0.069 0.000 0.986 5 V HN 0.886 9.076 8.190 -0.000 0.000 0.467 6 T N 5.723 120.242 114.554 -0.058 0.000 2.908 6 T HA 0.291 4.645 4.350 0.007 0.000 0.301 6 T C 0.845 175.509 174.700 -0.060 0.000 1.019 6 T CA 0.596 62.664 62.100 -0.055 0.000 1.152 6 T CB 0.905 69.755 68.868 -0.029 0.000 0.966 6 T HN 1.398 9.638 8.240 -0.000 0.000 0.540 7 A N 4.014 126.782 122.820 -0.087 0.000 3.074 7 A HA 0.269 4.593 4.320 0.007 0.000 0.251 7 A C 0.792 178.360 177.584 -0.026 0.000 1.695 7 A CA -0.927 51.042 52.037 -0.114 0.000 1.343 7 A CB -0.971 17.903 19.000 -0.210 0.000 1.078 7 A HN 0.850 9.000 8.150 -0.000 0.000 0.644 8 N N -0.743 117.993 118.700 0.060 0.000 2.458 8 N HA 0.281 5.025 4.740 0.007 0.000 0.271 8 N C 0.610 176.280 175.510 0.265 0.000 1.210 8 N CA -0.914 52.238 53.050 0.171 0.000 0.978 8 N CB 0.327 38.863 38.487 0.082 0.000 1.206 8 N HN 0.021 8.401 8.380 -0.000 0.000 0.536 9 I N -0.022 120.692 120.570 0.239 0.000 2.286 9 I HA -0.199 3.975 4.170 0.007 0.000 0.248 9 I C 1.504 177.657 176.117 0.061 0.000 1.115 9 I CA 1.591 62.957 61.300 0.110 0.000 1.392 9 I CB -0.561 37.355 38.000 -0.139 0.000 1.065 9 I HN 0.655 8.865 8.210 -0.000 0.000 0.418 10 E N 0.504 120.728 120.200 0.039 0.000 2.031 10 E HA -0.191 4.163 4.350 0.007 0.000 0.193 10 E C 1.992 178.600 176.600 0.014 0.000 0.994 10 E CA 1.627 58.037 56.400 0.017 0.000 0.800 10 E CB -0.345 29.363 29.700 0.014 0.000 0.752 10 E HN 0.487 8.847 8.360 -0.000 0.000 0.447 11 N N 0.037 118.751 118.700 0.024 0.000 2.216 11 N HA -0.088 4.656 4.740 0.007 0.000 0.183 11 N C 1.847 177.362 175.510 0.008 0.000 1.017 11 N CA 0.817 53.870 53.050 0.006 0.000 0.861 11 N CB -0.234 38.248 38.487 -0.008 0.000 0.986 11 N HN 0.021 8.401 8.380 -0.000 0.000 0.428 12 V N 1.587 121.528 119.914 0.046 0.000 2.343 12 V HA -0.196 3.928 4.120 0.007 0.000 0.247 12 V C 2.240 178.338 176.094 0.007 0.000 1.051 12 V CA 1.452 63.789 62.300 0.061 0.000 1.036 12 V CB -0.407 31.529 31.823 0.187 0.000 0.654 12 V HN 0.243 8.433 8.190 -0.000 0.000 0.451 13 K N 0.052 120.421 120.400 -0.051 0.000 2.032 13 K HA -0.218 4.106 4.320 0.007 0.000 0.209 13 K C 2.249 178.629 176.600 -0.366 0.000 1.048 13 K CA 1.698 57.811 56.287 -0.289 0.000 0.927 13 K CB -0.230 32.121 32.500 -0.248 0.000 0.712 13 K HN 0.419 8.669 8.250 -0.000 0.000 0.441 14 K N 0.295 120.620 120.400 -0.124 0.000 2.001 14 K HA -0.179 4.145 4.320 0.007 0.000 0.214 14 K C 2.062 178.678 176.600 0.028 0.000 1.050 14 K CA 1.890 58.167 56.287 -0.017 0.000 0.934 14 K CB -0.411 32.096 32.500 0.012 0.000 0.718 14 K HN -0.037 8.213 8.250 -0.000 0.000 0.443 15 V N 1.412 121.343 119.914 0.027 0.000 2.332 15 V HA -0.291 3.833 4.120 0.007 0.000 0.248 15 V C 2.406 178.571 176.094 0.119 0.000 1.055 15 V CA 2.121 64.473 62.300 0.086 0.000 1.038 15 V CB -0.849 31.045 31.823 0.118 0.000 0.651 15 V HN 0.413 8.603 8.190 -0.000 0.000 0.450 16 A N -0.972 121.879 122.820 0.051 0.000 1.930 16 A HA -0.233 4.092 4.320 0.007 0.000 0.217 16 A C 2.006 179.665 177.584 0.125 0.000 1.175 16 A CA 1.923 54.002 52.037 0.071 0.000 0.627 16 A CB -0.825 18.188 19.000 0.022 0.000 0.815 16 A HN 0.735 8.885 8.150 -0.000 0.000 0.443 17 H N -2.498 116.624 119.070 0.087 0.000 2.389 17 H HA -0.122 4.438 4.556 0.007 0.000 0.299 17 H C 2.177 177.539 175.328 0.056 0.000 1.081 17 H CA 0.943 57.025 56.048 0.056 0.000 1.345 17 H CB -0.108 29.684 29.762 0.050 0.000 1.393 17 H HN 0.676 8.956 8.280 -0.000 0.000 0.520 18 H N 1.308 120.448 119.070 0.118 0.000 2.290 18 H HA -0.133 4.427 4.556 0.007 0.000 0.298 18 H C 2.221 177.558 175.328 0.014 0.000 1.087 18 H CA 1.747 57.828 56.048 0.054 0.000 1.291 18 H CB -0.115 29.672 29.762 0.041 0.000 1.369 18 H HN 0.301 8.581 8.280 -0.000 0.000 0.492 19 I N 1.025 121.644 120.570 0.080 0.000 2.264 19 I HA -0.299 3.876 4.170 0.007 0.000 0.248 19 I C 2.628 178.654 176.117 -0.151 0.000 1.111 19 I CA 1.324 62.605 61.300 -0.032 0.000 1.382 19 I CB -0.285 37.755 38.000 0.066 0.000 1.060 19 I HN 0.358 8.568 8.210 -0.000 0.000 0.418 20 Q N 0.268 120.026 119.800 -0.070 0.000 2.437 20 Q HA -0.186 4.158 4.340 0.007 0.000 0.210 20 Q C 1.952 177.876 176.000 -0.125 0.000 0.972 20 Q CA 0.993 56.742 55.803 -0.091 0.000 0.903 20 Q CB 0.064 28.808 28.738 0.011 0.000 0.967 20 Q HN 0.465 8.735 8.270 -0.000 0.000 0.486 21 K N -0.105 120.206 120.400 -0.149 0.000 2.211 21 K HA 0.043 4.367 4.320 0.007 0.000 0.201 21 K C 1.539 178.026 176.600 -0.189 0.000 1.052 21 K CA 0.517 56.707 56.287 -0.161 0.000 0.973 21 K CB 0.360 32.755 32.500 -0.174 0.000 0.766 21 K HN 0.137 8.387 8.250 -0.000 0.000 0.466 22 L N 0.111 121.191 121.223 -0.239 0.000 2.558 22 L HA 0.104 4.449 4.340 0.007 0.000 0.225 22 L C 0.788 177.528 176.870 -0.216 0.000 1.128 22 L CA 0.213 54.928 54.840 -0.208 0.000 0.868 22 L CB 0.148 42.086 42.059 -0.201 0.000 1.006 22 L HN 0.030 8.260 8.230 -0.000 0.000 0.454 23 T N -1.620 112.769 114.554 -0.275 0.000 2.885 23 T HA 0.235 4.589 4.350 0.007 0.000 0.322 23 T C 0.399 174.944 174.700 -0.258 0.000 1.387 23 T CA -0.019 61.895 62.100 -0.311 0.000 1.041 23 T CB 1.700 70.221 68.868 -0.577 0.000 1.287 23 T HN 0.041 8.281 8.240 -0.000 0.000 0.491 24 S N 2.256 117.846 115.700 -0.183 0.000 2.540 24 S HA 0.337 4.811 4.470 0.007 0.000 0.218 24 S C 0.757 175.302 174.600 -0.091 0.000 0.977 24 S CA -0.419 57.711 58.200 -0.116 0.000 0.918 24 S CB -0.074 63.082 63.200 -0.073 0.000 0.806 24 S HN 0.657 8.967 8.310 -0.000 0.000 0.496 25 I N 3.139 123.638 120.570 -0.117 0.000 2.533 25 I HA 0.173 4.347 4.170 0.007 0.000 0.284 25 I C -0.251 175.882 176.117 0.028 0.000 1.109 25 I CA -0.148 61.148 61.300 -0.006 0.000 1.412 25 I CB 0.763 38.827 38.000 0.107 0.000 1.396 25 I HN 0.032 8.242 8.210 -0.000 0.000 0.543 26 V N 9.393 129.343 119.914 0.059 0.000 2.304 26 V HA 0.212 4.336 4.120 0.007 0.000 0.269 26 V C -2.059 174.104 176.094 0.114 0.000 1.036 26 V CA -1.591 60.757 62.300 0.081 0.000 0.840 26 V CB 0.966 32.817 31.823 0.047 0.000 1.036 26 V HN 0.602 8.792 8.190 -0.000 0.000 0.466 27 P HA 0.177 4.597 4.420 -0.000 0.000 0.271 27 P C 0.607 177.958 177.300 0.085 0.000 1.220 27 P CA -0.167 63.019 63.100 0.142 0.000 0.768 27 P CB 0.674 32.474 31.700 0.165 0.000 0.848 28 E N 2.890 123.124 120.200 0.056 0.000 2.340 28 E HA 0.120 4.474 4.350 0.007 0.000 0.194 28 E C 0.227 176.840 176.600 0.022 0.000 0.996 28 E CA 0.384 56.804 56.400 0.034 0.000 0.869 28 E CB 0.165 29.878 29.700 0.021 0.000 0.835 28 E HN 0.382 8.742 8.360 -0.000 0.000 0.493 29 I N 1.282 121.864 120.570 0.019 0.000 2.498 29 I HA 0.407 4.581 4.170 0.007 0.000 0.290 29 I C -0.213 175.907 176.117 0.005 0.000 1.032 29 I CA -1.072 60.231 61.300 0.004 0.000 1.073 29 I CB 2.296 40.290 38.000 -0.009 0.000 1.251 29 I HN -0.016 8.194 8.210 -0.000 0.000 0.426 30 G N 6.630 115.433 108.800 0.005 0.000 2.388 30 G HA2 0.821 4.785 3.960 0.007 0.000 0.330 30 G HA3 0.821 4.785 3.960 0.007 0.000 0.330 30 G C -0.915 173.998 174.900 0.022 0.000 1.142 30 G CA -0.417 44.684 45.100 0.001 0.000 0.908 30 G HN 0.465 8.755 8.290 -0.000 0.000 0.473 31 I N 1.624 122.211 120.570 0.028 0.000 2.533 31 I HA 0.400 4.574 4.170 0.007 0.000 0.290 31 I C -0.736 175.417 176.117 0.059 0.000 1.056 31 I CA -0.673 60.675 61.300 0.081 0.000 1.057 31 I CB 2.501 40.565 38.000 0.107 0.000 1.240 31 I HN 0.195 8.405 8.210 -0.000 0.000 0.423 32 I N 5.003 125.620 120.570 0.078 0.000 2.418 32 I HA 0.346 4.520 4.170 0.007 0.000 0.287 32 I C -0.648 175.497 176.117 0.047 0.000 1.008 32 I CA -0.527 60.803 61.300 0.049 0.000 1.104 32 I CB 1.760 39.777 38.000 0.029 0.000 1.264 32 I HN 0.533 8.743 8.210 -0.000 0.000 0.438 33 C N 5.176 124.487 119.300 0.019 0.000 2.347 33 C HA 0.624 5.088 4.460 0.007 0.000 0.353 33 C C 1.228 176.218 174.990 0.001 0.000 1.273 33 C CA -0.597 58.410 59.018 -0.018 0.000 1.861 33 C CB 0.017 27.720 27.740 -0.061 0.000 2.420 33 C HN 0.936 9.166 8.230 -0.000 0.000 0.542 34 G N 2.061 110.871 108.800 0.018 0.000 2.535 34 G HA2 0.395 4.359 3.960 0.007 0.000 0.282 34 G HA3 0.395 4.359 3.960 0.007 0.000 0.282 34 G C -0.113 174.753 174.900 -0.056 0.000 1.350 34 G CA -0.314 44.840 45.100 0.092 0.000 1.039 34 G HN 0.752 9.042 8.290 -0.000 0.000 0.509 35 S N -0.611 115.119 115.700 0.050 0.000 2.544 35 S HA 0.379 4.853 4.470 0.007 0.000 0.290 35 S C 1.409 175.963 174.600 -0.076 0.000 1.276 35 S CA 1.000 59.172 58.200 -0.047 0.000 1.075 35 S CB 0.475 63.797 63.200 0.204 0.000 0.849 35 S HN 1.902 10.211 8.310 -0.000 0.000 0.494 36 G N 2.736 111.450 108.800 -0.144 0.000 2.189 36 G HA2 -0.242 3.722 3.960 0.007 0.000 0.267 36 G HA3 -0.242 3.722 3.960 0.007 0.000 0.267 36 G C 0.352 175.200 174.900 -0.087 0.000 0.975 36 G CA 0.345 45.383 45.100 -0.104 0.000 0.644 36 G HN 0.657 8.947 8.290 -0.000 0.000 0.537 37 L N 0.704 121.865 121.223 -0.103 0.000 2.910 37 L HA 0.369 4.713 4.340 0.007 0.000 0.252 37 L C 2.438 179.246 176.870 -0.104 0.000 1.195 37 L CA 0.359 55.147 54.840 -0.088 0.000 1.003 37 L CB 0.209 42.223 42.059 -0.075 0.000 1.328 37 L HN 0.196 8.426 8.230 -0.000 0.000 0.540 38 G N 0.634 109.371 108.800 -0.105 0.000 2.479 38 G HA2 -0.336 3.628 3.960 0.007 0.000 0.220 38 G HA3 -0.336 3.628 3.960 0.007 0.000 0.220 38 G C 1.747 176.602 174.900 -0.074 0.000 1.115 38 G CA 1.131 46.177 45.100 -0.091 0.000 0.757 38 G HN 0.430 8.720 8.290 -0.000 0.000 0.560 39 K N 0.833 121.191 120.400 -0.070 0.000 2.442 39 K HA 0.219 4.543 4.320 0.007 0.000 0.198 39 K C 2.070 178.632 176.600 -0.064 0.000 1.042 39 K CA 1.216 57.469 56.287 -0.057 0.000 0.958 39 K CB -0.734 31.738 32.500 -0.047 0.000 0.766 39 K HN 0.522 8.772 8.250 -0.000 0.000 0.474 40 L N -1.968 119.196 121.223 -0.098 0.000 2.642 40 L HA 0.208 4.552 4.340 0.007 0.000 0.236 40 L C 2.168 179.006 176.870 -0.053 0.000 1.169 40 L CA 1.169 55.940 54.840 -0.115 0.000 0.851 40 L CB -0.443 41.461 42.059 -0.259 0.000 0.968 40 L HN 0.191 8.421 8.230 -0.000 0.000 0.453 41 A N -1.317 121.477 122.820 -0.043 0.000 2.390 41 A HA 0.165 4.489 4.320 0.007 0.000 0.232 41 A C 1.294 178.868 177.584 -0.017 0.000 1.233 41 A CA -0.046 51.975 52.037 -0.026 0.000 0.907 41 A CB 0.004 18.982 19.000 -0.036 0.000 0.967 41 A HN 0.257 8.407 8.150 -0.000 0.000 0.512 42 D N -0.226 120.164 120.400 -0.017 0.000 2.354 42 D HA 0.080 4.724 4.640 0.007 0.000 0.209 42 D C 1.700 177.999 176.300 -0.000 0.000 1.015 42 D CA 1.098 55.092 54.000 -0.011 0.000 0.867 42 D CB 0.097 40.888 40.800 -0.016 0.000 0.933 42 D HN 0.386 8.756 8.370 -0.000 0.000 0.520 43 G N 0.161 108.964 108.800 0.005 0.000 3.042 43 G HA2 0.066 4.030 3.960 0.007 0.000 0.212 43 G HA3 0.066 4.030 3.960 0.007 0.000 0.212 43 G C 0.589 175.501 174.900 0.019 0.000 1.166 43 G CA -0.139 44.970 45.100 0.015 0.000 0.767 43 G HN 0.064 8.354 8.290 -0.000 0.000 0.546 44 V N 1.775 121.699 119.914 0.017 0.000 2.493 44 V HA 0.081 4.206 4.120 0.007 0.000 0.292 44 V C 0.393 176.502 176.094 0.025 0.000 1.016 44 V CA 0.252 62.566 62.300 0.022 0.000 1.097 44 V CB 0.484 32.319 31.823 0.019 0.000 0.947 44 V HN 0.237 8.427 8.190 -0.000 0.000 0.479 45 K N 3.488 123.905 120.400 0.028 0.000 2.098 45 K HA 0.303 4.627 4.320 0.007 0.000 0.261 45 K C 0.118 176.737 176.600 0.033 0.000 0.987 45 K CA -0.677 55.626 56.287 0.027 0.000 0.916 45 K CB 0.642 33.156 32.500 0.024 0.000 1.039 45 K HN 0.698 8.948 8.250 -0.000 0.000 0.455 46 D N 1.438 121.855 120.400 0.028 0.000 2.708 46 D HA -0.169 4.475 4.640 0.007 0.000 0.236 46 D C -0.321 176.005 176.300 0.044 0.000 1.146 46 D CA 1.115 55.133 54.000 0.031 0.000 0.662 46 D CB -0.889 39.928 40.800 0.029 0.000 1.059 46 D HN 0.592 8.962 8.370 -0.000 0.000 0.428 47 K N 0.135 120.562 120.400 0.044 0.000 2.185 47 K HA 0.547 4.871 4.320 0.007 0.000 0.271 47 K C 0.108 176.748 176.600 0.066 0.000 1.013 47 K CA -0.423 55.901 56.287 0.062 0.000 0.943 47 K CB 1.212 33.739 32.500 0.046 0.000 0.998 47 K HN 0.125 8.375 8.250 -0.000 0.000 0.468 48 I N 2.634 123.269 120.570 0.108 0.000 2.410 48 I HA 0.140 4.314 4.170 0.007 0.000 0.286 48 I C -0.702 175.496 176.117 0.135 0.000 1.009 48 I CA -0.894 60.467 61.300 0.102 0.000 1.111 48 I CB 2.095 40.150 38.000 0.091 0.000 1.262 48 I HN 0.644 8.854 8.210 -0.000 0.000 0.443 49 T N 7.329 121.929 114.554 0.076 0.000 2.733 49 T HA 0.546 4.900 4.350 0.007 0.000 0.294 49 T C 0.010 174.744 174.700 0.057 0.000 0.956 49 T CA -0.149 61.984 62.100 0.056 0.000 0.987 49 T CB 0.463 69.340 68.868 0.015 0.000 0.920 49 T HN 0.299 8.539 8.240 -0.000 0.000 0.470 50 I N 6.115 126.734 120.570 0.081 0.000 2.390 50 I HA 0.309 4.483 4.170 0.007 0.000 0.283 50 I C -2.381 173.753 176.117 0.027 0.000 1.016 50 I CA -2.750 58.593 61.300 0.071 0.000 1.151 50 I CB 1.667 39.741 38.000 0.124 0.000 1.293 50 I HN 0.282 8.492 8.210 -0.000 0.000 0.458 51 P HA 0.021 4.441 4.420 -0.000 0.000 0.268 51 P C 0.153 177.509 177.300 0.093 0.000 1.205 51 P CA -0.107 62.976 63.100 -0.028 0.000 0.771 51 P CB 0.349 32.051 31.700 0.003 0.000 0.858 52 Y N 0.816 121.161 120.300 0.075 0.000 2.298 52 Y HA -0.204 4.349 4.550 0.006 0.000 0.287 52 Y C 2.491 178.462 175.900 0.118 0.000 1.164 52 Y CA 1.837 60.014 58.100 0.129 0.000 1.229 52 Y CB -2.199 36.473 38.460 0.355 0.000 0.977 52 Y HN 0.383 8.662 8.280 -0.000 0.000 0.538 53 T N -2.635 112.065 114.554 0.242 0.000 2.881 53 T HA -0.107 4.247 4.350 0.007 0.000 0.270 53 T C 1.761 176.531 174.700 0.116 0.000 1.068 53 T CA 1.665 63.861 62.100 0.160 0.000 1.131 53 T CB -0.469 68.470 68.868 0.118 0.000 0.871 53 T HN 0.321 8.561 8.240 -0.000 0.000 0.479 54 K N 0.857 121.325 120.400 0.114 0.000 2.437 54 K HA 0.544 4.868 4.320 0.007 0.000 0.198 54 K C 0.687 177.378 176.600 0.151 0.000 1.024 54 K CA -0.000 56.356 56.287 0.116 0.000 1.148 54 K CB -0.582 31.980 32.500 0.104 0.000 0.860 54 K HN 0.757 9.007 8.250 -0.000 0.000 0.515 55 I N 1.479 122.098 120.570 0.083 0.000 2.382 55 I HA 0.271 4.445 4.170 0.007 0.000 0.286 55 I C -2.820 173.259 176.117 -0.064 0.000 1.002 55 I CA -2.685 58.604 61.300 -0.018 0.000 1.135 55 I CB 2.033 39.966 38.000 -0.112 0.000 1.288 55 I HN -0.105 8.105 8.210 -0.000 0.000 0.448 56 P HA 0.102 4.522 4.420 -0.000 0.000 0.262 56 P C -0.087 177.179 177.300 -0.056 0.000 1.199 56 P CA 0.609 63.608 63.100 -0.170 0.000 0.763 56 P CB 0.200 31.719 31.700 -0.302 0.000 0.790 57 N N -0.751 117.941 118.700 -0.013 0.000 2.962 57 N HA -0.210 4.534 4.740 0.007 0.000 0.206 57 N C 0.053 175.549 175.510 -0.024 0.000 0.907 57 N CA 0.152 53.188 53.050 -0.023 0.000 1.029 57 N CB -1.504 36.962 38.487 -0.036 0.000 1.009 57 N HN 0.282 8.662 8.380 -0.000 0.000 0.587 58 F N 1.615 121.470 119.950 -0.158 0.000 2.480 58 F HA 0.277 4.808 4.527 0.006 0.000 0.319 58 F C -1.345 174.299 175.800 -0.260 0.000 1.230 58 F CA -1.170 56.687 58.000 -0.239 0.000 1.285 58 F CB 0.214 39.120 39.000 -0.155 0.000 1.208 58 F HN -0.147 8.153 8.300 -0.000 0.000 0.579 59 P HA 0.188 4.608 4.420 -0.000 0.000 0.312 59 P C -1.391 175.973 177.300 0.106 0.000 1.308 59 P CA -0.443 62.454 63.100 -0.338 0.000 0.743 59 P CB 0.498 31.557 31.700 -1.068 0.000 1.364 60 Q N -0.674 119.250 119.800 0.207 0.000 2.306 60 Q HA 0.460 4.804 4.340 0.007 0.000 0.265 60 Q C -0.464 175.840 176.000 0.505 0.000 1.022 60 Q CA -0.269 55.753 55.803 0.366 0.000 0.853 60 Q CB 1.446 30.343 28.738 0.265 0.000 1.327 60 Q HN 0.417 8.687 8.270 -0.000 0.000 0.449 61 T N -1.380 113.460 114.554 0.477 0.000 2.788 61 T HA 0.468 4.822 4.350 0.007 0.000 0.296 61 T C -0.278 174.577 174.700 0.258 0.000 1.009 61 T CA -0.681 61.633 62.100 0.358 0.000 0.949 61 T CB 0.258 69.217 68.868 0.151 0.000 0.946 61 T HN 0.447 8.687 8.240 -0.000 0.000 0.453 62 S N 3.474 119.330 115.700 0.259 0.000 2.222 62 S HA 0.608 5.082 4.470 0.007 0.000 0.173 62 S C -0.330 174.371 174.600 0.168 0.000 1.466 62 S CA -0.603 57.708 58.200 0.185 0.000 1.184 62 S CB -0.069 63.221 63.200 0.149 0.000 1.168 62 S HN 0.638 8.948 8.310 -0.000 0.000 0.475 63 V N 0.917 120.943 119.914 0.188 0.000 3.040 63 V HA 0.802 4.926 4.120 0.007 0.000 0.312 63 V C 0.147 176.409 176.094 0.282 0.000 1.115 63 V CA -0.847 61.576 62.300 0.206 0.000 0.998 63 V CB 1.858 33.772 31.823 0.152 0.000 1.042 63 V HN 0.680 8.870 8.190 -0.000 0.000 0.433 64 V N 1.561 121.666 119.914 0.319 0.000 2.465 64 V HA 0.711 4.835 4.120 0.007 0.000 0.279 64 V C 1.195 177.484 176.094 0.325 0.000 1.045 64 V CA 0.488 62.966 62.300 0.296 0.000 0.938 64 V CB 0.663 32.649 31.823 0.272 0.000 0.986 64 V HN 1.579 9.769 8.190 -0.000 0.000 0.467 65 G N 3.476 112.370 108.800 0.157 0.000 2.132 65 G HA2 -0.136 3.828 3.960 0.007 0.000 0.234 65 G HA3 -0.136 3.828 3.960 0.007 0.000 0.234 65 G C -0.080 174.725 174.900 -0.158 0.000 0.989 65 G CA 0.413 45.514 45.100 0.001 0.000 0.676 65 G HN 1.683 9.973 8.290 -0.000 0.000 0.522 66 H N 0.497 119.615 119.070 0.080 0.000 3.092 66 H HA 0.570 5.130 4.556 0.006 0.000 0.308 66 H C 0.109 175.450 175.328 0.022 0.000 1.047 66 H CA 0.067 56.147 56.048 0.054 0.000 1.466 66 H CB 1.198 31.018 29.762 0.097 0.000 1.597 66 H HN 0.270 8.550 8.280 -0.000 0.000 0.512 67 S N 1.159 116.887 115.700 0.047 0.000 2.652 67 S HA 0.461 4.935 4.470 0.007 0.000 0.270 67 S C 1.032 175.570 174.600 -0.104 0.000 1.243 67 S CA -0.646 57.547 58.200 -0.012 0.000 0.999 67 S CB 1.348 64.516 63.200 -0.053 0.000 0.973 67 S HN 0.741 9.051 8.310 -0.000 0.000 0.544 68 G N 1.815 110.511 108.800 -0.173 0.000 3.058 68 G HA2 0.374 4.338 3.960 0.007 0.000 0.316 68 G HA3 0.374 4.338 3.960 0.007 0.000 0.316 68 G C -0.566 173.697 174.900 -1.061 0.000 0.951 68 G CA -0.644 44.085 45.100 -0.618 0.000 1.535 68 G HN 0.549 8.839 8.290 -0.000 0.000 0.500 69 N N 1.211 119.371 118.700 -0.899 0.000 2.269 69 N HA 0.347 5.091 4.740 0.007 0.000 0.304 69 N C -1.465 173.863 175.510 -0.304 0.000 1.072 69 N CA -0.678 52.042 53.050 -0.550 0.000 0.802 69 N CB 2.881 41.229 38.487 -0.232 0.000 1.348 69 N HN 0.178 8.558 8.380 -0.000 0.000 0.484 70 L N 2.419 123.611 121.223 -0.052 0.000 2.272 70 L HA 0.543 4.888 4.340 0.007 0.000 0.289 70 L C -0.683 176.169 176.870 -0.030 0.000 1.032 70 L CA -0.299 54.569 54.840 0.047 0.000 0.810 70 L CB 0.414 42.547 42.059 0.123 0.000 1.205 70 L HN 0.463 8.693 8.230 -0.000 0.000 0.422 71 I N 5.204 125.687 120.570 -0.146 0.000 2.389 71 I HA 0.352 4.526 4.170 0.007 0.000 0.288 71 I C -0.902 175.090 176.117 -0.208 0.000 0.999 71 I CA -0.362 60.892 61.300 -0.077 0.000 1.129 71 I CB 1.147 39.115 38.000 -0.053 0.000 1.288 71 I HN 0.361 8.571 8.210 -0.000 0.000 0.444 72 F N 3.802 123.760 119.950 0.013 0.000 2.458 72 F HA 0.862 5.393 4.527 0.007 0.000 0.330 72 F C 0.834 176.641 175.800 0.012 0.000 1.082 72 F CA -0.287 57.723 58.000 0.016 0.000 0.995 72 F CB 2.016 41.022 39.000 0.011 0.000 1.170 72 F HN 0.533 8.833 8.300 -0.000 0.000 0.478 73 G N 0.261 109.173 108.800 0.186 0.000 2.335 73 G HA2 0.467 4.431 3.960 0.007 0.000 0.291 73 G HA3 0.467 4.431 3.960 0.007 0.000 0.291 73 G C -1.436 173.514 174.900 0.083 0.000 1.261 73 G CA -0.384 44.784 45.100 0.113 0.000 0.871 73 G HN 0.733 9.023 8.290 -0.000 0.000 0.491 74 T N -2.104 112.484 114.554 0.057 0.000 2.908 74 T HA 0.751 5.105 4.350 0.007 0.000 0.290 74 T C -1.424 173.298 174.700 0.036 0.000 1.034 74 T CA -0.728 61.398 62.100 0.045 0.000 1.010 74 T CB 2.016 70.906 68.868 0.037 0.000 1.068 74 T HN 1.207 9.447 8.240 -0.000 0.000 0.481 75 L N 2.395 123.637 121.223 0.032 0.000 2.476 75 L HA 0.560 4.905 4.340 0.007 0.000 0.269 75 L C 0.311 177.197 176.870 0.027 0.000 0.965 75 L CA 0.271 55.130 54.840 0.032 0.000 0.845 75 L CB 1.646 43.727 42.059 0.036 0.000 1.259 75 L HN 1.075 9.305 8.230 -0.000 0.000 0.403 76 S N 3.199 118.916 115.700 0.028 0.000 3.549 76 S HA -0.115 4.359 4.470 0.007 0.000 0.366 76 S C 1.230 175.840 174.600 0.016 0.000 1.012 76 S CA 1.559 59.773 58.200 0.023 0.000 1.141 76 S CB -1.749 61.465 63.200 0.022 0.000 0.910 76 S HN 1.952 10.262 8.310 -0.000 0.000 0.471 77 G N -0.388 108.422 108.800 0.018 0.000 2.225 77 G HA2 -0.317 3.647 3.960 0.007 0.000 0.254 77 G HA3 -0.317 3.647 3.960 0.007 0.000 0.254 77 G C 0.021 174.930 174.900 0.015 0.000 0.988 77 G CA 0.338 45.447 45.100 0.015 0.000 0.625 77 G HN 0.658 8.948 8.290 -0.000 0.000 0.527 78 R N 0.468 120.978 120.500 0.016 0.000 2.720 78 R HA 0.566 4.910 4.340 0.007 0.000 0.272 78 R C 0.035 176.352 176.300 0.029 0.000 0.991 78 R CA -0.747 55.363 56.100 0.017 0.000 1.010 78 R CB 0.774 31.078 30.300 0.006 0.000 1.141 78 R HN 0.284 8.554 8.270 -0.000 0.000 0.494 79 K N 1.421 121.843 120.400 0.036 0.000 2.258 79 K HA 0.299 4.623 4.320 0.007 0.000 0.284 79 K C 0.139 176.774 176.600 0.058 0.000 1.051 79 K CA -0.449 55.873 56.287 0.059 0.000 0.923 79 K CB 1.113 33.656 32.500 0.071 0.000 1.046 79 K HN 0.449 8.699 8.250 -0.000 0.000 0.474 80 V N -0.169 119.780 119.914 0.058 0.000 2.914 80 V HA 0.673 4.797 4.120 0.007 0.000 0.314 80 V C -0.868 175.208 176.094 -0.031 0.000 1.084 80 V CA -0.965 61.347 62.300 0.021 0.000 0.963 80 V CB 1.924 33.754 31.823 0.010 0.000 1.025 80 V HN 0.468 8.658 8.190 -0.000 0.000 0.432 81 V N 3.437 123.274 119.914 -0.128 0.000 2.680 81 V HA 0.837 4.961 4.120 0.007 0.000 0.309 81 V C -0.931 175.025 176.094 -0.230 0.000 1.052 81 V CA -0.296 61.766 62.300 -0.398 0.000 0.908 81 V CB 2.121 33.583 31.823 -0.602 0.000 1.001 81 V HN 0.974 9.164 8.190 -0.000 0.000 0.431 82 V N 7.443 127.211 119.914 -0.242 0.000 2.483 82 V HA 0.455 4.579 4.120 0.007 0.000 0.297 82 V C -0.016 176.042 176.094 -0.060 0.000 1.027 82 V CA -0.466 61.774 62.300 -0.099 0.000 0.855 82 V CB 1.787 33.570 31.823 -0.067 0.000 0.995 82 V HN 0.917 9.107 8.190 -0.000 0.000 0.424 83 M N 4.143 123.753 119.600 0.017 0.000 2.201 83 M HA 0.312 4.796 4.480 0.007 0.000 0.345 83 M C 0.107 176.449 176.300 0.071 0.000 1.352 83 M CA 0.084 55.456 55.300 0.121 0.000 1.218 83 M CB 0.586 33.273 32.600 0.145 0.000 1.512 83 M HN 0.659 8.949 8.290 -0.000 0.000 0.447 84 Q N 3.130 122.945 119.800 0.025 0.000 2.389 84 Q HA 0.436 4.780 4.340 0.007 0.000 0.244 84 Q C -0.200 175.787 176.000 -0.022 0.000 1.056 84 Q CA -0.097 55.686 55.803 -0.034 0.000 0.908 84 Q CB 0.694 29.380 28.738 -0.088 0.000 1.273 84 Q HN 0.937 9.207 8.270 -0.000 0.000 0.471 85 G N 3.129 111.960 108.800 0.050 0.000 3.338 85 G HA2 -0.179 3.785 3.960 0.007 0.000 0.686 85 G HA3 -0.179 3.785 3.960 0.007 0.000 0.686 85 G C -0.778 174.111 174.900 -0.018 0.000 1.053 85 G CA -0.420 44.772 45.100 0.153 0.000 0.852 85 G HN 0.716 9.006 8.290 -0.000 0.000 0.545 86 R N 0.618 121.069 120.500 -0.082 0.000 2.843 86 R HA 0.923 5.267 4.340 0.007 0.000 0.232 86 R C -0.743 174.979 176.300 -0.964 0.000 1.305 86 R CA -1.033 54.737 56.100 -0.549 0.000 1.096 86 R CB 0.841 30.944 30.300 -0.329 0.000 1.455 86 R HN 0.322 8.592 8.270 -0.000 0.000 0.520 87 F N -0.243 119.429 119.950 -0.462 0.000 2.467 87 F HA 0.393 4.924 4.527 0.006 0.000 0.336 87 F C -0.351 175.169 175.800 -0.467 0.000 1.123 87 F CA -0.721 57.001 58.000 -0.463 0.000 0.964 87 F CB 1.638 40.243 39.000 -0.658 0.000 1.136 87 F HN 0.433 8.733 8.300 -0.000 0.000 0.447 88 H N 2.916 121.964 119.070 -0.037 0.000 2.492 88 H HA 0.334 4.894 4.556 0.007 0.000 0.345 88 H C 0.863 176.014 175.328 -0.295 0.000 1.136 88 H CA -0.792 55.014 56.048 -0.403 0.000 1.202 88 H CB 1.522 30.511 29.762 -1.289 0.000 1.524 88 H HN 0.502 8.782 8.280 -0.000 0.000 0.506 89 M N 1.471 121.005 119.600 -0.109 0.000 2.159 89 M HA -0.137 4.347 4.480 0.007 0.000 0.263 89 M C 1.433 177.703 176.300 -0.049 0.000 1.063 89 M CA 1.291 56.578 55.300 -0.023 0.000 1.110 89 M CB -0.810 31.816 32.600 0.044 0.000 1.374 89 M HN 0.786 9.076 8.290 -0.000 0.000 0.411 90 Y N -0.242 120.101 120.300 0.071 0.000 2.680 90 Y HA 0.063 4.616 4.550 0.006 0.000 0.303 90 Y C 1.516 177.380 175.900 -0.059 0.000 1.166 90 Y CA 0.242 58.335 58.100 -0.013 0.000 1.344 90 Y CB -1.140 37.291 38.460 -0.049 0.000 1.002 90 Y HN 0.153 8.433 8.280 -0.000 0.000 0.537 91 E N 0.294 120.428 120.200 -0.110 0.000 2.452 91 E HA 0.194 4.548 4.350 0.007 0.000 0.197 91 E C 1.736 178.135 176.600 -0.336 0.000 1.022 91 E CA 0.638 56.934 56.400 -0.174 0.000 0.890 91 E CB 0.272 29.797 29.700 -0.292 0.000 0.918 91 E HN 0.639 8.999 8.360 -0.000 0.000 0.496 92 G N 0.620 109.265 108.800 -0.259 0.000 2.184 92 G HA2 -0.242 3.722 3.960 0.007 0.000 0.206 92 G HA3 -0.242 3.722 3.960 0.007 0.000 0.206 92 G C -0.111 174.660 174.900 -0.215 0.000 0.995 92 G CA -0.197 44.770 45.100 -0.222 0.000 0.651 92 G HN 0.122 8.412 8.290 -0.000 0.000 0.511 93 Y N 2.631 122.896 120.300 -0.058 0.000 2.597 93 Y HA 0.414 4.968 4.550 0.007 0.000 0.336 93 Y C 1.567 177.410 175.900 -0.094 0.000 1.216 93 Y CA -0.073 57.972 58.100 -0.092 0.000 1.463 93 Y CB 0.596 38.987 38.460 -0.116 0.000 1.303 93 Y HN 0.418 8.698 8.280 -0.000 0.000 0.576 94 S N 1.662 117.405 115.700 0.071 0.000 2.614 94 S HA 0.099 4.573 4.470 0.007 0.000 0.265 94 S C 1.032 175.610 174.600 -0.037 0.000 1.303 94 S CA -0.748 57.448 58.200 -0.006 0.000 1.000 94 S CB 0.709 63.887 63.200 -0.035 0.000 0.935 94 S HN 0.694 9.004 8.310 -0.000 0.000 0.551 95 N N 1.694 120.366 118.700 -0.046 0.000 2.060 95 N HA -0.162 4.582 4.740 0.007 0.000 0.195 95 N C 1.143 176.583 175.510 -0.117 0.000 1.028 95 N CA 1.781 54.791 53.050 -0.068 0.000 0.861 95 N CB -0.757 37.694 38.487 -0.059 0.000 1.029 95 N HN 0.687 9.067 8.380 -0.000 0.000 0.428 96 D N -0.015 120.312 120.400 -0.121 0.000 2.144 96 D HA -0.065 4.579 4.640 0.007 0.000 0.199 96 D C 1.532 177.697 176.300 -0.226 0.000 0.984 96 D CA 1.036 54.943 54.000 -0.156 0.000 0.834 96 D CB -0.170 40.556 40.800 -0.125 0.000 0.955 96 D HN 0.274 8.644 8.370 -0.000 0.000 0.465 97 T N 0.445 114.853 114.554 -0.242 0.000 2.821 97 T HA -0.061 4.293 4.350 0.007 0.000 0.267 97 T C 2.230 176.623 174.700 -0.513 0.000 1.046 97 T CA 0.468 62.325 62.100 -0.406 0.000 1.139 97 T CB -0.024 68.614 68.868 -0.384 0.000 0.871 97 T HN -0.026 8.214 8.240 -0.000 0.000 0.454 98 V N 1.506 121.220 119.914 -0.335 0.000 2.548 98 V HA -0.029 4.095 4.120 0.007 0.000 0.249 98 V C 2.748 178.688 176.094 -0.257 0.000 1.055 98 V CA 1.471 63.605 62.300 -0.277 0.000 1.065 98 V CB -0.929 30.808 31.823 -0.143 0.000 0.681 98 V HN 0.492 8.682 8.190 -0.000 0.000 0.462 99 A N -0.466 122.207 122.820 -0.245 0.000 2.067 99 A HA -0.032 4.292 4.320 0.007 0.000 0.217 99 A C 2.078 179.488 177.584 -0.290 0.000 1.156 99 A CA 1.172 53.064 52.037 -0.242 0.000 0.683 99 A CB -0.330 18.535 19.000 -0.225 0.000 0.808 99 A HN 0.462 8.612 8.150 -0.000 0.000 0.455 100 L N 0.480 121.505 121.223 -0.331 0.000 1.976 100 L HA -0.048 4.296 4.340 0.007 0.000 0.209 100 L C -0.792 175.912 176.870 -0.276 0.000 1.071 100 L CA 2.250 56.896 54.840 -0.324 0.000 0.746 100 L CB -0.884 40.956 42.059 -0.364 0.000 0.890 100 L HN 0.155 8.385 8.230 -0.000 0.000 0.432 101 P HA -0.181 4.239 4.420 -0.000 0.000 0.216 101 P C 1.800 179.070 177.300 -0.049 0.000 1.150 101 P CA 1.491 64.481 63.100 -0.184 0.000 0.843 101 P CB -0.165 31.377 31.700 -0.264 0.000 0.787 102 I N -0.869 119.636 120.570 -0.109 0.000 2.286 102 I HA -0.123 4.052 4.170 0.007 0.000 0.245 102 I C 2.278 178.344 176.117 -0.085 0.000 1.104 102 I CA 1.403 62.657 61.300 -0.077 0.000 1.397 102 I CB -1.341 36.599 38.000 -0.101 0.000 1.072 102 I HN 0.010 8.220 8.210 -0.000 0.000 0.417 103 R N 0.338 120.726 120.500 -0.186 0.000 2.092 103 R HA -0.068 4.276 4.340 0.007 0.000 0.231 103 R C 2.396 178.682 176.300 -0.024 0.000 1.119 103 R CA 0.870 56.815 56.100 -0.259 0.000 0.970 103 R CB -0.368 29.492 30.300 -0.733 0.000 0.864 103 R HN 0.190 8.460 8.270 -0.000 0.000 0.440 104 V N 1.596 121.513 119.914 0.004 0.000 2.255 104 V HA -0.315 3.809 4.120 0.007 0.000 0.247 104 V C 2.408 178.577 176.094 0.125 0.000 1.051 104 V CA 1.895 64.255 62.300 0.100 0.000 1.018 104 V CB -0.408 31.515 31.823 0.168 0.000 0.641 104 V HN 0.320 8.510 8.190 -0.000 0.000 0.445 105 M N -0.473 119.192 119.600 0.108 0.000 2.089 105 M HA -0.301 4.183 4.480 0.007 0.000 0.257 105 M C 2.326 178.684 176.300 0.098 0.000 1.071 105 M CA 2.410 57.770 55.300 0.101 0.000 1.096 105 M CB -0.544 32.093 32.600 0.062 0.000 1.330 105 M HN 0.223 8.513 8.290 -0.000 0.000 0.403 106 K N 1.056 121.511 120.400 0.091 0.000 2.020 106 K HA -0.136 4.188 4.320 0.007 0.000 0.212 106 K C 1.543 178.219 176.600 0.127 0.000 1.050 106 K CA 1.768 58.124 56.287 0.115 0.000 0.929 106 K CB -0.683 31.915 32.500 0.164 0.000 0.714 106 K HN 0.364 8.614 8.250 -0.000 0.000 0.443 107 L N 0.292 121.605 121.223 0.151 0.000 2.201 107 L HA -0.083 4.261 4.340 0.007 0.000 0.212 107 L C 2.185 179.122 176.870 0.113 0.000 1.105 107 L CA 0.688 55.602 54.840 0.124 0.000 0.775 107 L CB -0.362 41.767 42.059 0.117 0.000 0.913 107 L HN 0.180 8.410 8.230 -0.000 0.000 0.440 108 L N -0.421 120.879 121.223 0.127 0.000 2.376 108 L HA -0.008 4.336 4.340 0.007 0.000 0.219 108 L C 1.568 178.509 176.870 0.117 0.000 1.133 108 L CA 0.987 55.911 54.840 0.140 0.000 0.816 108 L CB -0.336 41.844 42.059 0.201 0.000 0.933 108 L HN 0.534 8.764 8.230 -0.000 0.000 0.449 109 G N -1.091 107.767 108.800 0.097 0.000 2.227 109 G HA2 -0.194 3.770 3.960 0.007 0.000 0.168 109 G HA3 -0.194 3.770 3.960 0.007 0.000 0.168 109 G C 0.171 175.110 174.900 0.064 0.000 1.006 109 G CA -0.271 44.874 45.100 0.075 0.000 0.684 109 G HN -0.011 8.279 8.290 -0.000 0.000 0.489 110 V N 2.030 121.986 119.914 0.070 0.000 2.599 110 V HA 0.253 4.377 4.120 0.007 0.000 0.300 110 V C 1.286 177.400 176.094 0.034 0.000 1.034 110 V CA 0.791 63.121 62.300 0.049 0.000 1.115 110 V CB 1.354 33.205 31.823 0.046 0.000 0.934 110 V HN 0.282 8.472 8.190 -0.000 0.000 0.485 111 K N 4.152 124.564 120.400 0.020 0.000 2.387 111 K HA 0.438 4.762 4.320 0.007 0.000 0.197 111 K C 0.086 176.685 176.600 -0.002 0.000 1.127 111 K CA 0.546 56.838 56.287 0.009 0.000 0.950 111 K CB 0.849 33.351 32.500 0.004 0.000 1.017 111 K HN 0.516 8.766 8.250 -0.000 0.000 0.519 112 I N 1.783 122.349 120.570 -0.006 0.000 2.498 112 I HA 0.263 4.437 4.170 0.007 0.000 0.290 112 I C -1.309 174.802 176.117 -0.010 0.000 1.032 112 I CA -1.258 60.033 61.300 -0.016 0.000 1.073 112 I CB 2.322 40.300 38.000 -0.036 0.000 1.251 112 I HN -0.179 8.031 8.210 -0.000 0.000 0.426 113 L N 7.450 128.671 121.223 -0.004 0.000 2.333 113 L HA 0.599 4.943 4.340 0.007 0.000 0.280 113 L C -0.994 175.889 176.870 0.023 0.000 1.004 113 L CA -0.176 54.668 54.840 0.005 0.000 0.820 113 L CB 1.409 43.466 42.059 -0.004 0.000 1.247 113 L HN 0.514 8.744 8.230 -0.000 0.000 0.416 114 M N 6.573 126.195 119.600 0.037 0.000 2.114 114 M HA 0.517 5.001 4.480 0.007 0.000 0.332 114 M C -0.900 175.484 176.300 0.141 0.000 1.014 114 M CA -0.752 54.585 55.300 0.062 0.000 0.956 114 M CB 1.853 34.421 32.600 -0.053 0.000 1.551 114 M HN 0.467 8.757 8.290 -0.000 0.000 0.427 115 V N 3.045 123.013 119.914 0.090 0.000 2.680 115 V HA 0.903 5.027 4.120 0.007 0.000 0.309 115 V C -0.539 175.628 176.094 0.122 0.000 1.052 115 V CA -0.184 62.173 62.300 0.095 0.000 0.908 115 V CB 2.198 34.026 31.823 0.008 0.000 1.001 115 V HN 0.956 9.146 8.190 -0.000 0.000 0.431 116 S N 4.040 119.814 115.700 0.123 0.000 2.634 116 S HA 0.893 5.367 4.470 0.007 0.000 0.296 116 S C -0.809 173.836 174.600 0.076 0.000 1.104 116 S CA -0.480 57.780 58.200 0.099 0.000 0.920 116 S CB 1.911 65.126 63.200 0.025 0.000 1.111 116 S HN 1.703 10.013 8.310 -0.000 0.000 0.493 117 N N -0.629 118.135 118.700 0.107 0.000 2.961 117 N HA 0.616 5.360 4.740 0.007 0.000 0.245 117 N C -1.481 174.142 175.510 0.188 0.000 1.404 117 N CA -0.735 52.408 53.050 0.155 0.000 0.880 117 N CB 1.014 39.595 38.487 0.156 0.000 1.461 117 N HN 0.964 9.344 8.380 -0.000 0.000 0.510 118 A N -0.223 122.724 122.820 0.212 0.000 2.312 118 A HA 0.945 5.269 4.320 0.007 0.000 0.326 118 A C -0.385 177.334 177.584 0.224 0.000 1.172 118 A CA -0.028 52.123 52.037 0.190 0.000 0.821 118 A CB 0.352 19.451 19.000 0.165 0.000 1.166 118 A HN 1.221 9.371 8.150 -0.000 0.000 0.493 119 A N 1.014 123.942 122.820 0.180 0.000 2.594 119 A HA 0.848 5.172 4.320 0.007 0.000 0.291 119 A C 0.050 177.683 177.584 0.083 0.000 1.105 119 A CA -0.115 52.016 52.037 0.156 0.000 0.694 119 A CB 1.129 20.244 19.000 0.191 0.000 1.291 119 A HN 1.858 10.008 8.150 -0.000 0.000 0.410 120 G N -0.501 108.325 108.800 0.044 0.000 2.367 120 G HA2 0.542 4.506 3.960 0.007 0.000 0.314 120 G HA3 0.542 4.506 3.960 0.007 0.000 0.314 120 G C 0.185 175.074 174.900 -0.017 0.000 1.130 120 G CA 0.076 45.178 45.100 0.004 0.000 0.864 120 G HN 1.286 9.576 8.290 -0.000 0.000 0.486 121 G N 0.538 109.320 108.800 -0.031 0.000 2.320 121 G HA2 0.436 4.400 3.960 0.007 0.000 0.300 121 G HA3 0.436 4.400 3.960 0.007 0.000 0.300 121 G C 0.711 175.583 174.900 -0.046 0.000 1.126 121 G CA -0.517 44.557 45.100 -0.043 0.000 0.896 121 G HN 0.501 8.791 8.290 -0.000 0.000 0.436 122 L N 2.359 123.556 121.223 -0.044 0.000 2.200 122 L HA 0.124 4.468 4.340 0.007 0.000 0.200 122 L C 1.586 178.435 176.870 -0.035 0.000 1.072 122 L CA -0.171 54.646 54.840 -0.037 0.000 0.787 122 L CB -0.211 41.828 42.059 -0.034 0.000 0.957 122 L HN 0.457 8.687 8.230 -0.000 0.000 0.459 123 N N 1.448 120.124 118.700 -0.039 0.000 2.359 123 N HA -0.120 4.624 4.740 0.007 0.000 0.261 123 N C 0.721 176.203 175.510 -0.046 0.000 1.267 123 N CA 0.304 53.332 53.050 -0.038 0.000 0.864 123 N CB 0.768 39.227 38.487 -0.048 0.000 1.063 123 N HN 0.071 8.451 8.380 -0.000 0.000 0.474 124 R N 1.641 122.124 120.500 -0.028 0.000 2.280 124 R HA -0.045 4.299 4.340 0.007 0.000 0.207 124 R C 1.504 177.789 176.300 -0.024 0.000 1.043 124 R CA 0.617 56.702 56.100 -0.025 0.000 1.006 124 R CB -0.509 29.782 30.300 -0.014 0.000 0.885 124 R HN 0.703 8.973 8.270 -0.000 0.000 0.467 125 S N -0.649 115.035 115.700 -0.026 0.000 2.575 125 S HA 0.151 4.625 4.470 0.007 0.000 0.215 125 S C 0.901 175.471 174.600 -0.051 0.000 0.966 125 S CA -0.330 57.865 58.200 -0.009 0.000 0.911 125 S CB 0.004 63.224 63.200 0.033 0.000 0.780 125 S HN 0.057 8.367 8.310 -0.000 0.000 0.514 126 L N 1.727 122.876 121.223 -0.123 0.000 2.417 126 L HA 0.443 4.787 4.340 0.007 0.000 0.268 126 L C 0.331 177.141 176.870 -0.099 0.000 1.158 126 L CA -0.268 54.451 54.840 -0.202 0.000 0.819 126 L CB 0.743 42.669 42.059 -0.221 0.000 1.112 126 L HN 0.123 8.353 8.230 -0.000 0.000 0.458 127 K N 1.659 122.012 120.400 -0.078 0.000 2.281 127 K HA 0.445 4.769 4.320 0.007 0.000 0.242 127 K C -0.976 175.586 176.600 -0.064 0.000 0.971 127 K CA -1.151 55.108 56.287 -0.046 0.000 0.834 127 K CB 2.158 34.650 32.500 -0.013 0.000 1.181 127 K HN 0.221 8.471 8.250 -0.000 0.000 0.435 128 L N 1.384 122.570 121.223 -0.061 0.000 2.499 128 L HA 0.104 4.448 4.340 0.007 0.000 0.273 128 L C 1.030 177.842 176.870 -0.096 0.000 1.195 128 L CA 1.875 56.672 54.840 -0.071 0.000 0.882 128 L CB 0.058 42.079 42.059 -0.062 0.000 1.133 128 L HN 0.970 9.200 8.230 -0.000 0.000 0.483 129 G N 2.196 110.920 108.800 -0.126 0.000 2.175 129 G HA2 -0.239 3.725 3.960 0.007 0.000 0.244 129 G HA3 -0.239 3.725 3.960 0.007 0.000 0.244 129 G C 0.200 174.889 174.900 -0.352 0.000 0.982 129 G CA 0.097 45.070 45.100 -0.213 0.000 0.641 129 G HN 0.631 8.921 8.290 -0.000 0.000 0.527 130 D N -0.116 120.154 120.400 -0.216 0.000 2.357 130 D HA 0.535 5.179 4.640 0.007 0.000 0.242 130 D C 0.428 176.621 176.300 -0.178 0.000 1.153 130 D CA 0.260 54.165 54.000 -0.159 0.000 0.918 130 D CB 0.318 41.130 40.800 0.020 0.000 1.181 130 D HN 0.173 8.543 8.370 -0.000 0.000 0.435 131 F N -0.036 120.055 119.950 0.234 0.000 2.443 131 F HA 0.394 4.925 4.527 0.006 0.000 0.335 131 F C 0.192 176.185 175.800 0.323 0.000 1.104 131 F CA -0.944 57.235 58.000 0.298 0.000 1.013 131 F CB 1.486 40.733 39.000 0.412 0.000 1.136 131 F HN -0.137 8.163 8.300 -0.000 0.000 0.470 132 V N 5.224 125.415 119.914 0.462 0.000 2.349 132 V HA 0.293 4.417 4.120 0.007 0.000 0.284 132 V C 0.119 176.364 176.094 0.252 0.000 1.014 132 V CA -0.781 61.712 62.300 0.323 0.000 0.826 132 V CB 1.141 33.077 31.823 0.189 0.000 1.009 132 V HN 0.564 8.754 8.190 -0.000 0.000 0.431 133 I N 5.249 125.976 120.570 0.262 0.000 2.618 133 I HA 0.057 4.231 4.170 0.007 0.000 0.284 133 I C -0.128 175.971 176.117 -0.030 0.000 1.146 133 I CA -0.155 61.201 61.300 0.092 0.000 1.425 133 I CB 0.612 38.742 38.000 0.217 0.000 1.383 133 I HN 0.347 8.557 8.210 -0.000 0.000 0.562 134 L N 8.110 129.201 121.223 -0.220 0.000 2.360 134 L HA 0.096 4.440 4.340 0.007 0.000 0.276 134 L C 1.275 177.892 176.870 -0.422 0.000 1.121 134 L CA 0.498 55.096 54.840 -0.405 0.000 0.845 134 L CB 0.552 42.139 42.059 -0.786 0.000 1.143 134 L HN 0.597 8.827 8.230 -0.000 0.000 0.452 135 K N -0.026 120.224 120.400 -0.251 0.000 2.355 135 K HA 0.357 4.681 4.320 0.007 0.000 0.198 135 K C -0.179 176.399 176.600 -0.037 0.000 1.039 135 K CA -0.202 56.042 56.287 -0.071 0.000 1.075 135 K CB 0.824 33.341 32.500 0.028 0.000 0.870 135 K HN 0.454 8.704 8.250 -0.000 0.000 0.540 136 D N 0.140 120.417 120.400 -0.204 0.000 2.710 136 D HA 0.181 4.825 4.640 0.007 0.000 0.276 136 D C -1.691 174.604 176.300 -0.008 0.000 1.267 136 D CA -0.563 53.422 54.000 -0.024 0.000 0.772 136 D CB 1.240 42.057 40.800 0.028 0.000 1.299 136 D HN 0.305 8.675 8.370 -0.000 0.000 0.421 137 H N -0.852 118.321 119.070 0.173 0.000 2.985 137 H HA 0.683 5.244 4.556 0.009 0.000 0.360 137 H C -0.938 174.503 175.328 0.187 0.000 1.221 137 H CA -1.006 55.157 56.048 0.191 0.000 1.121 137 H CB 1.444 31.360 29.762 0.257 0.000 1.854 137 H HN 0.247 8.527 8.280 -0.000 0.000 0.551 138 I N 2.482 123.317 120.570 0.442 0.000 2.439 138 I HA 0.094 4.268 4.170 0.007 0.000 0.283 138 I C -1.108 175.226 176.117 0.363 0.000 1.023 138 I CA -0.614 60.894 61.300 0.347 0.000 1.100 138 I CB 1.827 39.943 38.000 0.193 0.000 1.238 138 I HN 0.588 8.798 8.210 -0.000 0.000 0.445 139 Y N 7.164 127.591 120.300 0.212 0.000 2.714 139 Y HA 0.279 4.834 4.550 0.007 0.000 0.333 139 Y C 0.971 176.914 175.900 0.072 0.000 1.220 139 Y CA -0.665 57.484 58.100 0.082 0.000 1.513 139 Y CB 0.611 39.101 38.460 0.049 0.000 1.435 139 Y HN 0.655 8.935 8.280 -0.000 0.000 0.489 140 L N 5.188 126.526 121.223 0.193 0.000 2.012 140 L HA -0.167 4.178 4.340 0.007 0.000 0.210 140 L C -0.727 176.104 176.870 -0.066 0.000 1.073 140 L CA 1.187 56.059 54.840 0.054 0.000 0.748 140 L CB -1.660 40.434 42.059 0.058 0.000 0.891 140 L HN 0.469 8.699 8.230 -0.000 0.000 0.431 141 P HA -0.126 4.294 4.420 -0.000 0.000 0.217 141 P C 1.573 178.594 177.300 -0.465 0.000 1.150 141 P CA 1.650 64.627 63.100 -0.205 0.000 0.832 141 P CB -0.179 31.468 31.700 -0.089 0.000 0.787 142 G N -0.130 108.023 108.800 -1.078 0.000 2.418 142 G HA2 -0.213 3.751 3.960 0.007 0.000 0.217 142 G HA3 -0.213 3.751 3.960 0.007 0.000 0.217 142 G C 1.469 176.150 174.900 -0.364 0.000 1.158 142 G CA 0.461 44.944 45.100 -1.029 0.000 0.771 142 G HN 0.223 8.513 8.290 -0.000 0.000 0.545 143 L N 0.592 121.686 121.223 -0.215 0.000 2.131 143 L HA 0.037 4.381 4.340 0.007 0.000 0.210 143 L C 2.595 179.419 176.870 -0.076 0.000 1.092 143 L CA 0.876 55.670 54.840 -0.075 0.000 0.759 143 L CB -0.244 41.806 42.059 -0.015 0.000 0.903 143 L HN 0.327 8.557 8.230 -0.000 0.000 0.435 144 G N -1.299 107.438 108.800 -0.104 0.000 3.518 144 G HA2 0.269 4.233 3.960 0.007 0.000 0.273 144 G HA3 0.269 4.233 3.960 0.007 0.000 0.273 144 G C 0.641 175.496 174.900 -0.074 0.000 1.199 144 G CA -0.315 44.743 45.100 -0.070 0.000 0.899 144 G HN 0.194 8.484 8.290 -0.000 0.000 0.533 145 L N -0.522 120.647 121.223 -0.090 0.000 4.793 145 L HA -0.129 4.215 4.340 0.007 0.000 0.404 145 L C 0.177 176.996 176.870 -0.084 0.000 1.022 145 L CA 0.196 54.993 54.840 -0.072 0.000 1.242 145 L CB -1.779 40.256 42.059 -0.041 0.000 2.049 145 L HN 0.347 8.577 8.230 -0.000 0.000 0.637 146 N N 0.205 118.826 118.700 -0.132 0.000 2.467 146 N HA 0.158 4.902 4.740 0.007 0.000 0.278 146 N C 0.261 175.666 175.510 -0.174 0.000 1.306 146 N CA -0.161 52.818 53.050 -0.119 0.000 0.905 146 N CB 0.177 38.613 38.487 -0.085 0.000 1.236 146 N HN 0.371 8.751 8.380 -0.000 0.000 0.509 147 N N 1.562 120.144 118.700 -0.196 0.000 2.483 147 N HA 0.015 4.759 4.740 0.007 0.000 0.264 147 N C 1.300 176.819 175.510 0.014 0.000 1.197 147 N CA -0.056 52.908 53.050 -0.144 0.000 0.927 147 N CB 1.066 39.511 38.487 -0.070 0.000 1.065 147 N HN 0.215 8.595 8.380 -0.000 0.000 0.461 148 I N 3.724 124.377 120.570 0.138 0.000 2.502 148 I HA -0.251 3.923 4.170 0.007 0.000 0.258 148 I C 1.386 177.482 176.117 -0.034 0.000 1.172 148 I CA 1.182 62.510 61.300 0.047 0.000 1.430 148 I CB 0.250 38.277 38.000 0.046 0.000 1.086 148 I HN 0.603 8.813 8.210 -0.000 0.000 0.440 149 L N -0.073 121.128 121.223 -0.037 0.000 2.567 149 L HA 0.104 4.448 4.340 0.007 0.000 0.225 149 L C 0.673 177.487 176.870 -0.093 0.000 1.119 149 L CA -0.386 54.383 54.840 -0.119 0.000 0.871 149 L CB 0.070 42.030 42.059 -0.166 0.000 1.036 149 L HN -0.103 8.127 8.230 -0.000 0.000 0.459 150 V N 1.234 121.115 119.914 -0.055 0.000 2.617 150 V HA 0.348 4.472 4.120 0.007 0.000 0.304 150 V C 0.844 176.906 176.094 -0.054 0.000 1.040 150 V CA 0.865 63.137 62.300 -0.047 0.000 1.149 150 V CB -0.092 31.708 31.823 -0.037 0.000 0.914 150 V HN 0.539 8.729 8.190 -0.000 0.000 0.487 151 G N 5.898 114.668 108.800 -0.050 0.000 2.423 151 G HA2 0.031 3.995 3.960 0.007 0.000 0.684 151 G HA3 0.031 3.995 3.960 0.007 0.000 0.684 151 G C -3.016 171.850 174.900 -0.056 0.000 1.309 151 G CA -1.014 44.057 45.100 -0.048 0.000 0.950 151 G HN 0.683 8.973 8.290 -0.000 0.000 0.587 152 P HA 0.155 4.575 4.420 -0.000 0.000 0.259 152 P C 0.126 177.399 177.300 -0.044 0.000 1.163 152 P CA 0.046 63.123 63.100 -0.039 0.000 0.760 152 P CB 0.277 31.964 31.700 -0.022 0.000 0.762 153 N N 2.949 121.618 118.700 -0.052 0.000 2.483 153 N HA -0.026 4.718 4.740 0.007 0.000 0.264 153 N C -0.212 175.322 175.510 0.041 0.000 1.197 153 N CA 0.076 53.111 53.050 -0.024 0.000 0.927 153 N CB 0.197 38.660 38.487 -0.040 0.000 1.065 153 N HN 0.156 8.536 8.380 -0.000 0.000 0.461 154 Q N 2.854 122.721 119.800 0.112 0.000 2.402 154 Q HA 0.050 4.394 4.340 0.007 0.000 0.238 154 Q C 0.471 176.592 176.000 0.202 0.000 1.126 154 Q CA -0.096 55.817 55.803 0.184 0.000 0.904 154 Q CB 0.691 29.618 28.738 0.314 0.000 1.357 154 Q HN 0.659 8.929 8.270 -0.000 0.000 0.491 155 E N 1.493 121.741 120.200 0.080 0.000 2.160 155 E HA -0.178 4.176 4.350 0.007 0.000 0.195 155 E C 1.364 177.938 176.600 -0.044 0.000 0.991 155 E CA 1.201 57.613 56.400 0.020 0.000 0.810 155 E CB 0.081 29.775 29.700 -0.010 0.000 0.742 155 E HN 0.603 8.963 8.360 -0.000 0.000 0.466 156 A N -0.037 122.716 122.820 -0.110 0.000 2.125 156 A HA -0.113 4.212 4.320 0.007 0.000 0.219 156 A C 1.694 179.008 177.584 -0.450 0.000 1.156 156 A CA 0.944 52.796 52.037 -0.308 0.000 0.671 156 A CB -0.428 18.306 19.000 -0.443 0.000 0.794 156 A HN 0.134 8.284 8.150 -0.000 0.000 0.459 157 F N -1.394 118.545 119.950 -0.017 0.000 2.500 157 F HA 0.425 4.956 4.527 0.006 0.000 0.285 157 F C 1.496 177.144 175.800 -0.253 0.000 1.088 157 F CA 0.729 58.698 58.000 -0.051 0.000 1.432 157 F CB 0.070 39.110 39.000 0.066 0.000 1.131 157 F HN 0.345 8.645 8.300 -0.000 0.000 0.582 158 G N -1.253 107.418 108.800 -0.215 0.000 2.489 158 G HA2 0.376 4.340 3.960 0.007 0.000 0.305 158 G HA3 0.376 4.340 3.960 0.007 0.000 0.305 158 G C -1.377 173.363 174.900 -0.267 0.000 1.311 158 G CA -0.490 44.233 45.100 -0.628 0.000 0.813 158 G HN -0.131 8.159 8.290 -0.000 0.000 0.480 159 T N -1.254 113.194 114.554 -0.176 0.000 2.881 159 T HA 0.428 4.782 4.350 0.007 0.000 0.278 159 T C 1.665 176.421 174.700 0.093 0.000 0.982 159 T CA -0.092 62.010 62.100 0.004 0.000 0.989 159 T CB 1.450 70.328 68.868 0.017 0.000 1.058 159 T HN 0.649 8.889 8.240 -0.000 0.000 0.529 160 R N 1.058 121.516 120.500 -0.069 0.000 2.075 160 R HA 0.095 4.439 4.340 0.007 0.000 0.232 160 R C -0.116 175.902 176.300 -0.470 0.000 1.126 160 R CA 1.683 57.567 56.100 -0.361 0.000 0.963 160 R CB -0.301 29.592 30.300 -0.678 0.000 0.858 160 R HN 0.530 8.800 8.270 -0.000 0.000 0.435 161 F N 2.396 122.400 119.950 0.091 0.000 2.453 161 F HA 0.435 4.965 4.527 0.006 0.000 0.358 161 F C -2.019 173.833 175.800 0.086 0.000 1.129 161 F CA -3.002 55.044 58.000 0.078 0.000 1.200 161 F CB 0.909 39.940 39.000 0.052 0.000 1.431 161 F HN -0.021 8.279 8.300 -0.000 0.000 0.503 162 P HA 0.302 4.722 4.420 -0.000 0.000 0.271 162 P C -0.402 176.989 177.300 0.151 0.000 1.216 162 P CA -0.197 63.016 63.100 0.187 0.000 0.776 162 P CB 1.082 32.912 31.700 0.217 0.000 0.881 163 A N 2.900 125.783 122.820 0.104 0.000 2.316 163 A HA 0.426 4.750 4.320 0.007 0.000 0.284 163 A C 0.439 178.053 177.584 0.051 0.000 1.115 163 A CA -0.592 51.490 52.037 0.075 0.000 0.812 163 A CB 0.094 19.125 19.000 0.053 0.000 1.064 163 A HN 0.616 8.766 8.150 -0.000 0.000 0.489 164 L N 2.245 123.490 121.223 0.037 0.000 3.062 164 L HA 0.143 4.487 4.340 0.007 0.000 0.255 164 L C 0.825 177.678 176.870 -0.028 0.000 1.274 164 L CA -0.096 54.742 54.840 -0.004 0.000 1.047 164 L CB 0.054 42.110 42.059 -0.004 0.000 1.402 164 L HN 0.784 9.014 8.230 -0.000 0.000 0.550 165 S N -1.241 114.456 115.700 -0.006 0.000 2.548 165 S HA 0.135 4.609 4.470 0.007 0.000 0.277 165 S C 0.889 175.482 174.600 -0.010 0.000 1.315 165 S CA -0.342 57.857 58.200 -0.002 0.000 1.050 165 S CB 0.943 64.148 63.200 0.010 0.000 0.918 165 S HN 0.500 8.810 8.310 -0.000 0.000 0.497 166 N N 0.977 119.679 118.700 0.003 0.000 2.721 166 N HA -0.234 4.510 4.740 0.007 0.000 0.249 166 N C 0.900 176.386 175.510 -0.040 0.000 1.072 166 N CA 0.948 54.003 53.050 0.007 0.000 0.710 166 N CB -1.364 37.128 38.487 0.009 0.000 0.993 166 N HN 0.895 9.275 8.380 -0.000 0.000 0.547 167 A N -0.889 121.870 122.820 -0.102 0.000 1.902 167 A HA -0.084 4.240 4.320 0.007 0.000 0.217 167 A C 0.609 177.913 177.584 -0.467 0.000 1.181 167 A CA 1.302 53.159 52.037 -0.301 0.000 0.623 167 A CB -0.337 18.405 19.000 -0.430 0.000 0.818 167 A HN 0.451 8.601 8.150 -0.000 0.000 0.443 168 Y N 1.373 121.668 120.300 -0.008 0.000 2.691 168 Y HA 0.203 4.755 4.550 0.004 0.000 0.338 168 Y C 0.293 176.212 175.900 0.031 0.000 1.148 168 Y CA -1.256 56.848 58.100 0.007 0.000 1.430 168 Y CB -0.068 38.390 38.460 -0.003 0.000 1.303 168 Y HN 0.283 8.563 8.280 -0.000 0.000 0.499 169 D N 3.747 124.198 120.400 0.084 0.000 2.662 169 D HA -0.138 4.506 4.640 0.007 0.000 0.237 169 D C 1.285 177.640 176.300 0.092 0.000 1.154 169 D CA 0.306 54.343 54.000 0.062 0.000 0.861 169 D CB 0.805 41.624 40.800 0.031 0.000 1.146 169 D HN 0.755 9.125 8.370 -0.000 0.000 0.518 170 R N 3.165 123.708 120.500 0.072 0.000 2.189 170 R HA -0.105 4.239 4.340 0.007 0.000 0.218 170 R C 0.762 177.093 176.300 0.052 0.000 1.074 170 R CA 0.710 56.854 56.100 0.075 0.000 0.991 170 R CB 0.080 30.416 30.300 0.059 0.000 0.883 170 R HN 0.285 8.555 8.270 -0.000 0.000 0.457 171 D N 1.465 121.882 120.400 0.028 0.000 2.149 171 D HA -0.060 4.584 4.640 0.007 0.000 0.201 171 D C 2.081 178.369 176.300 -0.019 0.000 0.972 171 D CA 0.953 54.955 54.000 0.004 0.000 0.835 171 D CB -0.027 40.768 40.800 -0.009 0.000 0.966 171 D HN 0.263 8.633 8.370 -0.000 0.000 0.476 172 L N 0.351 121.565 121.223 -0.016 0.000 2.093 172 L HA -0.079 4.265 4.340 0.007 0.000 0.208 172 L C 2.551 179.376 176.870 -0.075 0.000 1.085 172 L CA 0.908 55.693 54.840 -0.091 0.000 0.755 172 L CB -0.206 41.816 42.059 -0.062 0.000 0.904 172 L HN -0.074 8.156 8.230 -0.000 0.000 0.435 173 R N 0.128 120.688 120.500 0.099 0.000 2.075 173 R HA -0.167 4.178 4.340 0.007 0.000 0.232 173 R C 2.351 178.715 176.300 0.106 0.000 1.126 173 R CA 1.204 57.418 56.100 0.190 0.000 0.963 173 R CB -0.230 30.191 30.300 0.201 0.000 0.858 173 R HN 0.243 8.513 8.270 -0.000 0.000 0.435 174 K N 0.888 121.322 120.400 0.055 0.000 2.026 174 K HA -0.178 4.146 4.320 0.007 0.000 0.208 174 K C 2.073 178.678 176.600 0.009 0.000 1.048 174 K CA 1.239 57.546 56.287 0.035 0.000 0.929 174 K CB -0.134 32.377 32.500 0.019 0.000 0.713 174 K HN 0.027 8.277 8.250 -0.000 0.000 0.439 175 L N 1.160 122.362 121.223 -0.036 0.000 2.012 175 L HA -0.119 4.225 4.340 0.007 0.000 0.210 175 L C 2.238 179.072 176.870 -0.061 0.000 1.073 175 L CA 2.184 56.982 54.840 -0.070 0.000 0.748 175 L CB -0.809 41.172 42.059 -0.129 0.000 0.891 175 L HN 0.239 8.469 8.230 -0.000 0.000 0.431 176 A N -1.264 121.485 122.820 -0.118 0.000 1.933 176 A HA -0.136 4.188 4.320 0.007 0.000 0.218 176 A C 2.264 180.052 177.584 0.340 0.000 1.175 176 A CA 1.907 53.936 52.037 -0.013 0.000 0.628 176 A CB -1.066 17.791 19.000 -0.238 0.000 0.814 176 A HN 0.324 8.474 8.150 -0.000 0.000 0.444 177 V N -0.275 119.766 119.914 0.212 0.000 2.343 177 V HA -0.317 3.807 4.120 0.007 0.000 0.247 177 V C 2.641 178.749 176.094 0.023 0.000 1.051 177 V CA 2.298 64.682 62.300 0.140 0.000 1.036 177 V CB -0.878 31.004 31.823 0.098 0.000 0.654 177 V HN 0.643 8.833 8.190 -0.000 0.000 0.451 178 Q N -0.631 119.180 119.800 0.017 0.000 2.084 178 Q HA -0.161 4.183 4.340 0.007 0.000 0.202 178 Q C 2.328 178.303 176.000 -0.043 0.000 0.978 178 Q CA 1.822 57.612 55.803 -0.022 0.000 0.844 178 Q CB -0.256 28.473 28.738 -0.014 0.000 0.898 178 Q HN 0.543 8.813 8.270 -0.000 0.000 0.426 179 V N 0.747 120.667 119.914 0.010 0.000 2.295 179 V HA -0.287 3.837 4.120 0.007 0.000 0.246 179 V C 2.253 178.244 176.094 -0.171 0.000 1.049 179 V CA 1.768 64.081 62.300 0.023 0.000 1.024 179 V CB -1.054 30.867 31.823 0.162 0.000 0.648 179 V HN 0.422 8.612 8.190 -0.000 0.000 0.447 180 A N -0.241 122.373 122.820 -0.344 0.000 1.892 180 A HA -0.311 4.013 4.320 0.007 0.000 0.218 180 A C 2.165 179.219 177.584 -0.883 0.000 1.188 180 A CA 2.337 53.629 52.037 -1.241 0.000 0.631 180 A CB -0.588 17.730 19.000 -1.137 0.000 0.822 180 A HN 0.541 8.691 8.150 -0.000 0.000 0.447 181 E N 0.001 119.948 120.200 -0.423 0.000 2.058 181 E HA -0.175 4.179 4.350 0.007 0.000 0.194 181 E C 1.932 178.412 176.600 -0.201 0.000 0.997 181 E CA 1.778 58.021 56.400 -0.261 0.000 0.801 181 E CB -0.255 29.357 29.700 -0.146 0.000 0.746 181 E HN 0.752 9.112 8.360 -0.000 0.000 0.450 182 E N -0.598 119.505 120.200 -0.161 0.000 2.268 182 E HA -0.088 4.266 4.350 0.007 0.000 0.195 182 E C 0.783 177.341 176.600 -0.069 0.000 0.995 182 E CA 0.878 57.227 56.400 -0.086 0.000 0.836 182 E CB -0.048 29.623 29.700 -0.049 0.000 0.763 182 E HN 0.232 8.592 8.360 -0.000 0.000 0.491 183 N N -0.914 117.710 118.700 -0.126 0.000 2.214 183 N HA 0.136 4.880 4.740 0.007 0.000 0.214 183 N C 0.258 175.810 175.510 0.070 0.000 1.132 183 N CA 0.401 53.457 53.050 0.010 0.000 0.856 183 N CB 1.613 40.192 38.487 0.153 0.000 1.020 183 N HN 0.161 8.541 8.380 -0.000 0.000 0.509 184 G N 0.970 109.736 108.800 -0.056 0.000 2.136 184 G HA2 -0.280 3.684 3.960 0.007 0.000 0.242 184 G HA3 -0.280 3.684 3.960 0.007 0.000 0.242 184 G C 0.206 175.154 174.900 0.080 0.000 0.989 184 G CA 0.489 45.597 45.100 0.014 0.000 0.682 184 G HN 0.492 8.782 8.290 -0.000 0.000 0.522 185 F N -1.467 118.433 119.950 -0.082 0.000 2.814 185 F HA 0.591 5.125 4.527 0.011 0.000 0.326 185 F C 1.372 177.100 175.800 -0.120 0.000 1.159 185 F CA -0.161 57.785 58.000 -0.090 0.000 1.234 185 F CB -0.110 38.844 39.000 -0.077 0.000 1.016 185 F HN 0.073 8.373 8.300 -0.000 0.000 0.510 186 G N 1.980 110.613 108.800 -0.278 0.000 2.462 186 G HA2 -0.338 3.626 3.960 0.007 0.000 0.220 186 G HA3 -0.338 3.626 3.960 0.007 0.000 0.220 186 G C 1.497 176.320 174.900 -0.129 0.000 1.121 186 G CA 1.134 46.086 45.100 -0.246 0.000 0.758 186 G HN 0.560 8.850 8.290 -0.000 0.000 0.559 187 N N 0.793 119.453 118.700 -0.067 0.000 2.512 187 N HA -0.005 4.739 4.740 0.007 0.000 0.183 187 N C 1.806 177.298 175.510 -0.031 0.000 1.073 187 N CA 0.441 53.458 53.050 -0.055 0.000 0.911 187 N CB -0.271 38.205 38.487 -0.018 0.000 0.964 187 N HN 0.390 8.770 8.380 -0.000 0.000 0.447 188 L N 0.339 121.589 121.223 0.045 0.000 2.567 188 L HA 0.236 4.580 4.340 0.007 0.000 0.225 188 L C 0.201 177.179 176.870 0.181 0.000 1.119 188 L CA -0.041 54.862 54.840 0.104 0.000 0.871 188 L CB 0.326 42.461 42.059 0.127 0.000 1.036 188 L HN -0.096 8.134 8.230 -0.000 0.000 0.459 189 V N 0.476 120.425 119.914 0.058 0.000 2.394 189 V HA 0.316 4.441 4.120 0.007 0.000 0.282 189 V C -0.142 175.915 176.094 -0.061 0.000 1.031 189 V CA -0.532 61.847 62.300 0.132 0.000 0.881 189 V CB 1.030 32.883 31.823 0.050 0.000 0.982 189 V HN 0.169 8.359 8.190 -0.000 0.000 0.451 190 H N 3.357 122.542 119.070 0.191 0.000 2.864 190 H HA 0.613 5.174 4.556 0.008 0.000 0.354 190 H C -1.108 174.315 175.328 0.158 0.000 1.208 190 H CA -0.891 55.241 56.048 0.140 0.000 1.191 190 H CB 2.564 32.392 29.762 0.110 0.000 1.889 190 H HN 0.556 8.836 8.280 -0.000 0.000 0.574 191 Q N 0.155 120.103 119.800 0.246 0.000 2.375 191 Q HA 0.606 4.950 4.340 0.007 0.000 0.271 191 Q C -0.522 175.552 176.000 0.124 0.000 1.074 191 Q CA -1.009 54.895 55.803 0.168 0.000 0.808 191 Q CB 3.371 32.187 28.738 0.131 0.000 1.327 191 Q HN 0.888 9.158 8.270 -0.000 0.000 0.441 192 G N -0.003 108.843 108.800 0.077 0.000 2.554 192 G HA2 0.455 4.419 3.960 0.007 0.000 0.306 192 G HA3 0.455 4.419 3.960 0.007 0.000 0.306 192 G C -1.645 173.268 174.900 0.021 0.000 1.320 192 G CA -0.512 44.620 45.100 0.055 0.000 0.800 192 G HN 0.336 8.626 8.290 -0.000 0.000 0.481 193 V N 0.727 120.664 119.914 0.038 0.000 2.394 193 V HA 0.441 4.565 4.120 0.007 0.000 0.282 193 V C -0.833 175.322 176.094 0.102 0.000 1.031 193 V CA -0.572 61.761 62.300 0.054 0.000 0.881 193 V CB 1.064 32.921 31.823 0.057 0.000 0.982 193 V HN 0.648 8.838 8.190 -0.000 0.000 0.451 194 Y N 5.002 125.294 120.300 -0.013 0.000 2.326 194 Y HA 0.625 5.178 4.550 0.006 0.000 0.337 194 Y C -0.207 175.736 175.900 0.073 0.000 1.023 194 Y CA -0.404 57.707 58.100 0.018 0.000 1.143 194 Y CB 1.683 40.134 38.460 -0.015 0.000 1.183 194 Y HN 0.458 8.738 8.280 -0.000 0.000 0.485 195 V N 8.748 128.522 119.914 -0.233 0.000 2.483 195 V HA 0.414 4.539 4.120 0.007 0.000 0.295 195 V C -0.588 175.347 176.094 -0.264 0.000 1.035 195 V CA -0.923 61.319 62.300 -0.097 0.000 0.896 195 V CB 1.454 33.249 31.823 -0.047 0.000 0.986 195 V HN 0.952 9.142 8.190 -0.000 0.000 0.447 196 M N 6.260 125.890 119.600 0.051 0.000 2.157 196 M HA 0.442 4.926 4.480 0.007 0.000 0.354 196 M C -0.530 175.825 176.300 0.092 0.000 1.170 196 M CA -0.299 55.076 55.300 0.125 0.000 1.060 196 M CB 0.714 33.495 32.600 0.302 0.000 1.615 196 M HN 0.831 9.121 8.290 -0.000 0.000 0.460 197 N N 3.499 122.233 118.700 0.058 0.000 2.419 197 N HA 0.358 5.102 4.740 0.007 0.000 0.277 197 N C 0.903 176.470 175.510 0.095 0.000 1.006 197 N CA 0.057 53.139 53.050 0.053 0.000 0.923 197 N CB 1.616 40.112 38.487 0.015 0.000 1.140 197 N HN 0.796 9.176 8.380 -0.000 0.000 0.488 198 G N 2.429 111.285 108.800 0.092 0.000 2.503 198 G HA2 0.065 4.030 3.960 0.007 0.000 0.221 198 G HA3 0.065 4.030 3.960 0.007 0.000 0.221 198 G C 0.837 175.819 174.900 0.136 0.000 1.131 198 G CA 0.768 45.938 45.100 0.117 0.000 0.756 198 G HN 1.189 9.479 8.290 -0.000 0.000 0.572 199 G N -0.241 108.587 108.800 0.047 0.000 2.750 199 G HA2 -0.075 3.889 3.960 0.007 0.000 0.228 199 G HA3 -0.075 3.889 3.960 0.007 0.000 0.228 199 G C -1.139 173.729 174.900 -0.054 0.000 1.367 199 G CA 0.154 45.223 45.100 -0.053 0.000 0.871 199 G HN 0.461 8.751 8.290 -0.000 0.000 0.560 200 P HA 0.299 4.719 4.420 -0.000 0.000 0.268 200 P C 0.540 177.580 177.300 -0.433 0.000 1.329 200 P CA -0.013 62.827 63.100 -0.434 0.000 0.899 200 P CB -0.005 31.380 31.700 -0.526 0.000 1.378 201 C N 0.873 120.014 119.300 -0.264 0.000 2.642 201 C HA 0.126 4.590 4.460 0.007 0.000 0.420 201 C C 1.137 175.985 174.990 -0.236 0.000 1.349 201 C CA -0.315 58.569 59.018 -0.223 0.000 1.821 201 C CB -1.453 26.230 27.740 -0.094 0.000 2.637 201 C HN 0.248 8.478 8.230 -0.000 0.000 0.605 202 Y N 0.870 121.121 120.300 -0.082 0.000 2.459 202 Y HA 0.128 4.681 4.550 0.006 0.000 0.349 202 Y C 1.063 176.935 175.900 -0.046 0.000 1.266 202 Y CA 0.103 58.167 58.100 -0.061 0.000 1.483 202 Y CB 0.445 38.875 38.460 -0.049 0.000 1.362 202 Y HN 0.598 8.878 8.280 -0.000 0.000 0.628 203 E N 0.403 120.691 120.200 0.147 0.000 2.360 203 E HA 0.123 4.478 4.350 0.007 0.000 0.269 203 E C 0.008 176.637 176.600 0.050 0.000 1.022 203 E CA -0.369 56.068 56.400 0.063 0.000 0.887 203 E CB 0.338 30.061 29.700 0.037 0.000 0.990 203 E HN 0.510 8.870 8.360 -0.000 0.000 0.426 204 T N 0.042 114.613 114.554 0.028 0.000 2.802 204 T HA 0.112 4.466 4.350 0.007 0.000 0.305 204 T C -1.730 172.974 174.700 0.007 0.000 1.053 204 T CA -1.441 60.669 62.100 0.016 0.000 1.058 204 T CB 0.658 69.532 68.868 0.009 0.000 0.988 204 T HN 0.148 8.388 8.240 -0.000 0.000 0.539 205 P HA -0.016 4.404 4.420 -0.000 0.000 0.216 205 P C 1.604 178.902 177.300 -0.004 0.000 1.150 205 P CA 1.480 64.577 63.100 -0.005 0.000 0.837 205 P CB -0.306 31.389 31.700 -0.007 0.000 0.786 206 A N -0.122 122.697 122.820 -0.002 0.000 1.929 206 A HA -0.193 4.131 4.320 0.007 0.000 0.216 206 A C 2.117 179.701 177.584 -0.000 0.000 1.176 206 A CA 1.449 53.485 52.037 -0.001 0.000 0.628 206 A CB -1.118 17.881 19.000 -0.001 0.000 0.816 206 A HN 0.166 8.316 8.150 -0.000 0.000 0.444 207 E N -0.703 119.497 120.200 0.001 0.000 2.077 207 E HA -0.189 4.165 4.350 0.007 0.000 0.193 207 E C 2.048 178.647 176.600 -0.001 0.000 0.989 207 E CA 1.351 57.752 56.400 0.002 0.000 0.800 207 E CB -0.396 29.306 29.700 0.004 0.000 0.746 207 E HN 0.675 9.035 8.360 -0.000 0.000 0.452 208 C N 0.481 119.780 119.300 -0.002 0.000 2.432 208 C HA -0.114 4.350 4.460 0.007 0.000 0.277 208 C C 2.878 177.863 174.990 -0.008 0.000 1.249 208 C CA 1.184 60.197 59.018 -0.008 0.000 1.725 208 C CB -0.964 26.770 27.740 -0.010 0.000 2.028 208 C HN 0.521 8.751 8.230 -0.000 0.000 0.477 209 T N 1.212 115.762 114.554 -0.006 0.000 2.635 209 T HA -0.308 4.046 4.350 0.007 0.000 0.267 209 T C 1.807 176.506 174.700 -0.002 0.000 1.040 209 T CA 2.061 64.159 62.100 -0.005 0.000 1.156 209 T CB -0.446 68.419 68.868 -0.004 0.000 0.863 209 T HN 0.650 8.889 8.240 -0.000 0.000 0.430 210 M N 0.621 120.221 119.600 -0.001 0.000 2.108 210 M HA -0.079 4.405 4.480 0.007 0.000 0.261 210 M C 2.023 178.324 176.300 0.003 0.000 1.066 210 M CA 1.727 57.029 55.300 0.002 0.000 1.107 210 M CB -0.364 32.238 32.600 0.003 0.000 1.356 210 M HN 0.220 8.510 8.290 -0.000 0.000 0.406 211 L N 0.190 121.412 121.223 -0.001 0.000 2.046 211 L HA -0.210 4.135 4.340 0.007 0.000 0.208 211 L C 2.545 179.413 176.870 -0.002 0.000 1.077 211 L CA 0.631 55.469 54.840 -0.002 0.000 0.747 211 L CB -0.929 41.121 42.059 -0.014 0.000 0.896 211 L HN 0.393 8.623 8.230 -0.000 0.000 0.432 212 L N 0.446 121.666 121.223 -0.006 0.000 2.012 212 L HA -0.219 4.125 4.340 0.007 0.000 0.210 212 L C 2.207 179.078 176.870 0.003 0.000 1.073 212 L CA 1.861 56.698 54.840 -0.004 0.000 0.748 212 L CB -0.844 41.210 42.059 -0.007 0.000 0.891 212 L HN 0.255 8.485 8.230 -0.000 0.000 0.431 213 N N -0.768 117.935 118.700 0.004 0.000 2.381 213 N HA -0.124 4.620 4.740 0.007 0.000 0.182 213 N C 1.657 177.174 175.510 0.012 0.000 1.025 213 N CA 1.309 54.364 53.050 0.007 0.000 0.888 213 N CB -0.266 38.225 38.487 0.006 0.000 0.965 213 N HN 0.472 8.852 8.380 -0.000 0.000 0.438 214 M N -0.937 118.671 119.600 0.014 0.000 2.659 214 M HA 0.106 4.590 4.480 0.007 0.000 0.243 214 M C 0.812 177.127 176.300 0.025 0.000 1.111 214 M CA 0.446 55.758 55.300 0.021 0.000 1.070 214 M CB 0.316 32.930 32.600 0.024 0.000 1.525 214 M HN 0.216 8.506 8.290 -0.000 0.000 0.517 215 G N 0.136 108.949 108.800 0.021 0.000 2.138 215 G HA2 -0.184 3.780 3.960 0.007 0.000 0.193 215 G HA3 -0.184 3.780 3.960 0.007 0.000 0.193 215 G C -0.143 174.772 174.900 0.025 0.000 0.998 215 G CA -0.575 44.540 45.100 0.024 0.000 0.668 215 G HN 0.456 8.746 8.290 -0.000 0.000 0.516 216 C N 0.798 120.108 119.300 0.017 0.000 2.463 216 C HA 0.604 5.068 4.460 0.007 0.000 0.380 216 C C 1.327 176.316 174.990 -0.001 0.000 1.264 216 C CA -0.281 58.743 59.018 0.010 0.000 2.161 216 C CB 1.178 28.914 27.740 -0.007 0.000 2.515 216 C HN 0.466 8.696 8.230 -0.000 0.000 0.565 217 D N 0.215 120.616 120.400 0.001 0.000 2.394 217 D HA 0.094 4.738 4.640 0.007 0.000 0.226 217 D C 0.390 176.676 176.300 -0.022 0.000 0.990 217 D CA 1.102 55.099 54.000 -0.005 0.000 0.902 217 D CB 0.593 41.402 40.800 0.014 0.000 1.038 217 D HN 0.545 8.915 8.370 -0.000 0.000 0.499 218 V N -1.473 118.422 119.914 -0.033 0.000 3.114 218 V HA 0.707 4.831 4.120 0.007 0.000 0.308 218 V C -0.730 175.228 176.094 -0.228 0.000 1.168 218 V CA -1.021 61.240 62.300 -0.066 0.000 1.015 218 V CB 2.635 34.476 31.823 0.030 0.000 1.050 218 V HN -0.174 8.016 8.190 -0.000 0.000 0.433 219 V N 1.719 121.488 119.914 -0.241 0.000 2.709 219 V HA 1.045 5.169 4.120 0.007 0.000 0.308 219 V C 0.190 176.099 176.094 -0.307 0.000 1.062 219 V CA 0.814 62.898 62.300 -0.360 0.000 0.901 219 V CB 1.465 33.192 31.823 -0.160 0.000 1.003 219 V HN 1.762 9.952 8.190 -0.000 0.000 0.425 220 G N 4.399 112.939 108.800 -0.434 0.000 2.749 220 G HA2 0.519 4.483 3.960 0.007 0.000 0.300 220 G HA3 0.519 4.483 3.960 0.007 0.000 0.300 220 G C -0.711 174.277 174.900 0.147 0.000 1.352 220 G CA -0.556 44.552 45.100 0.014 0.000 0.789 220 G HN 0.677 8.967 8.290 -0.000 0.000 0.509 221 M N 1.055 120.835 119.600 0.299 0.000 2.596 221 M HA 0.313 4.798 4.480 0.007 0.000 0.364 221 M C 0.451 176.995 176.300 0.407 0.000 1.158 221 M CA -0.228 55.264 55.300 0.320 0.000 0.940 221 M CB 0.913 33.700 32.600 0.311 0.000 1.388 221 M HN 0.583 8.873 8.290 -0.000 0.000 0.522 222 S N -2.467 113.480 115.700 0.411 0.000 2.880 222 S HA 0.701 5.175 4.470 0.007 0.000 0.308 222 S C 0.526 175.193 174.600 0.112 0.000 1.195 222 S CA 0.285 58.651 58.200 0.277 0.000 0.866 222 S CB 1.959 65.353 63.200 0.323 0.000 1.254 222 S HN 0.225 8.535 8.310 -0.000 0.000 0.571 223 T N 1.021 115.556 114.554 -0.032 0.000 13.029 223 T HA -0.240 4.114 4.350 0.007 0.000 0.417 223 T C 1.314 175.882 174.700 -0.220 0.000 1.457 223 T CA 1.579 63.580 62.100 -0.165 0.000 2.388 223 T CB -2.258 66.394 68.868 -0.360 0.000 2.799 223 T HN 0.726 8.966 8.240 -0.000 0.000 0.661 224 I N 2.474 122.876 120.570 -0.279 0.000 2.194 224 I HA -0.152 4.022 4.170 0.007 0.000 0.246 224 I C -0.687 175.115 176.117 -0.526 0.000 1.093 224 I CA 2.148 63.152 61.300 -0.494 0.000 1.355 224 I CB -1.375 36.156 38.000 -0.783 0.000 1.046 224 I HN 0.372 8.582 8.210 -0.000 0.000 0.413 225 P HA -0.160 4.260 4.420 -0.000 0.000 0.215 225 P C 1.314 178.508 177.300 -0.177 0.000 1.153 225 P CA 1.456 64.414 63.100 -0.236 0.000 0.853 225 P CB -0.000 31.657 31.700 -0.071 0.000 0.788 226 E N -0.811 119.296 120.200 -0.155 0.000 2.106 226 E HA -0.097 4.257 4.350 0.007 0.000 0.192 226 E C 1.954 178.484 176.600 -0.117 0.000 0.984 226 E CA 0.820 57.147 56.400 -0.122 0.000 0.806 226 E CB -0.617 29.021 29.700 -0.103 0.000 0.750 226 E HN 0.016 8.376 8.360 -0.000 0.000 0.458 227 V N 0.521 120.351 119.914 -0.139 0.000 2.358 227 V HA -0.207 3.917 4.120 0.007 0.000 0.246 227 V C 2.212 178.238 176.094 -0.113 0.000 1.047 227 V CA 1.152 63.373 62.300 -0.131 0.000 1.035 227 V CB -0.179 31.571 31.823 -0.122 0.000 0.658 227 V HN 0.148 8.338 8.190 -0.000 0.000 0.452 228 V N -0.134 119.706 119.914 -0.123 0.000 2.343 228 V HA -0.227 3.897 4.120 0.007 0.000 0.247 228 V C 2.311 178.393 176.094 -0.019 0.000 1.051 228 V CA 1.688 63.955 62.300 -0.054 0.000 1.036 228 V CB -0.462 31.318 31.823 -0.072 0.000 0.654 228 V HN 0.384 8.574 8.190 -0.000 0.000 0.451 229 I N 0.434 120.969 120.570 -0.059 0.000 2.286 229 I HA -0.177 3.997 4.170 0.007 0.000 0.248 229 I C 2.602 178.722 176.117 0.005 0.000 1.115 229 I CA 1.831 63.106 61.300 -0.043 0.000 1.392 229 I CB -1.595 36.340 38.000 -0.108 0.000 1.065 229 I HN 0.303 8.513 8.210 -0.000 0.000 0.418 230 A N 0.786 123.589 122.820 -0.028 0.000 1.872 230 A HA -0.149 4.175 4.320 0.007 0.000 0.214 230 A C 2.341 179.921 177.584 -0.006 0.000 1.187 230 A CA 0.978 53.002 52.037 -0.022 0.000 0.614 230 A CB -0.362 18.608 19.000 -0.049 0.000 0.826 230 A HN 0.200 8.350 8.150 -0.000 0.000 0.442 231 R N -0.431 120.058 120.500 -0.019 0.000 2.096 231 R HA -0.141 4.203 4.340 0.007 0.000 0.235 231 R C 2.077 178.402 176.300 0.042 0.000 1.127 231 R CA 1.510 57.603 56.100 -0.012 0.000 0.968 231 R CB -1.303 28.977 30.300 -0.035 0.000 0.861 231 R HN 0.853 9.123 8.270 -0.000 0.000 0.440 232 H N 0.558 119.619 119.070 -0.015 0.000 2.387 232 H HA -0.118 4.442 4.556 0.007 0.000 0.299 232 H C 1.176 176.526 175.328 0.037 0.000 1.099 232 H CA 1.887 57.941 56.048 0.010 0.000 1.315 232 H CB 0.264 30.027 29.762 0.002 0.000 1.380 232 H HN 0.343 8.623 8.280 -0.000 0.000 0.513 233 C N -0.826 118.484 119.300 0.017 0.000 2.688 233 C HA 0.600 5.064 4.460 0.007 0.000 0.297 233 C C 1.594 176.591 174.990 0.011 0.000 1.308 233 C CA 0.199 59.227 59.018 0.017 0.000 1.726 233 C CB -0.525 27.316 27.740 0.169 0.000 1.982 233 C HN 0.726 8.956 8.230 -0.000 0.000 0.604 234 G N 1.440 110.233 108.800 -0.011 0.000 2.136 234 G HA2 -0.218 3.746 3.960 0.007 0.000 0.242 234 G HA3 -0.218 3.746 3.960 0.007 0.000 0.242 234 G C -0.175 174.721 174.900 -0.006 0.000 0.989 234 G CA 0.237 45.329 45.100 -0.013 0.000 0.682 234 G HN 0.715 9.005 8.290 -0.000 0.000 0.522 235 I N 1.073 121.642 120.570 -0.002 0.000 2.441 235 I HA 0.187 4.361 4.170 0.007 0.000 0.287 235 I C 1.079 177.182 176.117 -0.024 0.000 1.049 235 I CA -0.300 60.996 61.300 -0.006 0.000 1.381 235 I CB 0.880 38.879 38.000 -0.001 0.000 1.409 235 I HN 0.182 8.392 8.210 -0.000 0.000 0.523 236 Q N 4.270 124.057 119.800 -0.022 0.000 2.354 236 Q HA 0.442 4.787 4.340 0.007 0.000 0.244 236 Q C -0.994 174.990 176.000 -0.026 0.000 0.969 236 Q CA -0.363 55.423 55.803 -0.029 0.000 0.885 236 Q CB 2.009 30.735 28.738 -0.021 0.000 1.241 236 Q HN 0.410 8.680 8.270 -0.000 0.000 0.461 237 V N 2.860 122.754 119.914 -0.032 0.000 2.588 237 V HA 0.446 4.570 4.120 0.007 0.000 0.304 237 V C -1.193 174.957 176.094 0.094 0.000 1.042 237 V CA -0.729 61.560 62.300 -0.018 0.000 0.877 237 V CB 1.425 33.164 31.823 -0.140 0.000 0.996 237 V HN 0.646 8.836 8.190 -0.000 0.000 0.425 238 F N 4.137 124.050 119.950 -0.061 0.000 2.507 238 F HA 0.865 5.395 4.527 0.004 0.000 0.325 238 F C -0.072 175.704 175.800 -0.039 0.000 1.116 238 F CA -0.349 57.610 58.000 -0.068 0.000 0.930 238 F CB 1.523 40.385 39.000 -0.230 0.000 1.146 238 F HN 0.609 8.909 8.300 -0.000 0.000 0.447 239 A N 5.259 127.640 122.820 -0.733 0.000 2.455 239 A HA 0.805 5.129 4.320 0.007 0.000 0.300 239 A C -2.040 175.145 177.584 -0.665 0.000 1.040 239 A CA -0.660 51.065 52.037 -0.519 0.000 0.697 239 A CB 1.665 20.593 19.000 -0.119 0.000 1.265 239 A HN 0.661 8.811 8.150 -0.000 0.000 0.407 240 V N 1.123 120.810 119.914 -0.378 0.000 2.686 240 V HA 0.546 4.670 4.120 0.007 0.000 0.306 240 V C 0.119 176.257 176.094 0.074 0.000 1.065 240 V CA -0.634 61.588 62.300 -0.131 0.000 0.894 240 V CB 2.013 33.835 31.823 -0.001 0.000 1.004 240 V HN 0.853 9.043 8.190 -0.000 0.000 0.424 241 S N 4.272 120.067 115.700 0.160 0.000 2.499 241 S HA 0.559 5.033 4.470 0.007 0.000 0.279 241 S C -0.361 174.426 174.600 0.313 0.000 1.219 241 S CA -0.408 57.929 58.200 0.230 0.000 1.062 241 S CB 1.058 64.413 63.200 0.260 0.000 0.978 241 S HN 0.630 8.940 8.310 -0.000 0.000 0.489 242 L N 4.627 126.019 121.223 0.281 0.000 2.290 242 L HA 0.375 4.719 4.340 0.007 0.000 0.284 242 L C -0.663 176.278 176.870 0.118 0.000 1.078 242 L CA -0.566 54.410 54.840 0.227 0.000 0.815 242 L CB 0.918 43.089 42.059 0.187 0.000 1.162 242 L HN 0.371 8.601 8.230 -0.000 0.000 0.435 243 V N 4.742 124.683 119.914 0.046 0.000 2.390 243 V HA -0.003 4.121 4.120 0.007 0.000 0.260 243 V C 1.423 177.507 176.094 -0.016 0.000 1.043 243 V CA 0.484 62.789 62.300 0.008 0.000 1.047 243 V CB 0.474 32.277 31.823 -0.033 0.000 1.066 243 V HN 0.969 9.159 8.190 -0.000 0.000 0.481 244 T N 0.970 115.529 114.554 0.008 0.000 3.060 244 T HA 0.177 4.532 4.350 0.007 0.000 0.249 244 T C 0.435 175.116 174.700 -0.031 0.000 1.079 244 T CA 0.211 62.307 62.100 -0.006 0.000 1.013 244 T CB -0.213 68.670 68.868 0.026 0.000 0.975 244 T HN 0.755 8.995 8.240 -0.000 0.000 0.518 245 N N -0.254 118.423 118.700 -0.038 0.000 2.961 245 N HA 0.481 5.225 4.740 0.007 0.000 0.245 245 N C -1.799 173.674 175.510 -0.061 0.000 1.404 245 N CA -1.156 51.853 53.050 -0.067 0.000 0.880 245 N CB 0.756 39.176 38.487 -0.110 0.000 1.461 245 N HN -0.139 8.241 8.380 -0.000 0.000 0.510 246 I N 1.311 121.841 120.570 -0.067 0.000 2.331 246 I HA 0.307 4.481 4.170 0.007 0.000 0.292 246 I C 0.202 176.282 176.117 -0.063 0.000 0.998 246 I CA -0.478 60.786 61.300 -0.059 0.000 1.267 246 I CB 0.804 38.772 38.000 -0.054 0.000 1.386 246 I HN 0.619 8.829 8.210 -0.000 0.000 0.476 247 S N 5.093 120.761 115.700 -0.053 0.000 2.560 247 S HA 0.238 4.712 4.470 0.007 0.000 0.284 247 S C 0.232 174.805 174.600 -0.045 0.000 1.327 247 S CA -0.545 57.625 58.200 -0.050 0.000 1.055 247 S CB 0.963 64.142 63.200 -0.035 0.000 0.868 247 S HN 0.348 8.658 8.310 -0.000 0.000 0.506 248 V N 4.887 124.773 119.914 -0.046 0.000 2.406 248 V HA 0.160 4.284 4.120 0.007 0.000 0.272 248 V C 0.893 176.972 176.094 -0.026 0.000 1.043 248 V CA -0.120 62.158 62.300 -0.037 0.000 0.915 248 V CB 0.677 32.475 31.823 -0.042 0.000 0.988 248 V HN 0.827 9.017 8.190 -0.000 0.000 0.466 249 L N 2.250 123.460 121.223 -0.022 0.000 2.585 249 L HA 0.301 4.645 4.340 0.007 0.000 0.226 249 L C 0.434 177.296 176.870 -0.013 0.000 1.113 249 L CA 0.328 55.158 54.840 -0.016 0.000 0.876 249 L CB 0.176 42.227 42.059 -0.015 0.000 1.072 249 L HN 0.625 8.855 8.230 -0.000 0.000 0.468 250 D N -0.280 120.111 120.400 -0.015 0.000 2.344 250 D HA 0.110 4.754 4.640 0.007 0.000 0.239 250 D C 0.616 176.909 176.300 -0.012 0.000 1.064 250 D CA -0.197 53.796 54.000 -0.013 0.000 0.829 250 D CB 2.513 43.305 40.800 -0.014 0.000 1.129 250 D HN -0.257 8.113 8.370 -0.000 0.000 0.506 251 V N 3.979 123.888 119.914 -0.010 0.000 2.809 251 V HA -0.082 4.042 4.120 0.007 0.000 0.256 251 V C 1.365 177.453 176.094 -0.009 0.000 1.080 251 V CA 1.415 63.710 62.300 -0.009 0.000 1.102 251 V CB -0.183 31.636 31.823 -0.006 0.000 0.705 251 V HN 0.522 8.712 8.190 -0.000 0.000 0.475 252 E N 0.105 120.299 120.200 -0.010 0.000 2.502 252 E HA 0.086 4.440 4.350 0.007 0.000 0.194 252 E C 1.113 177.706 176.600 -0.012 0.000 1.062 252 E CA 0.157 56.551 56.400 -0.010 0.000 0.867 252 E CB 0.082 29.777 29.700 -0.008 0.000 0.888 252 E HN 0.517 8.877 8.360 -0.000 0.000 0.510 253 S N 0.960 116.652 115.700 -0.014 0.000 2.580 253 S HA 0.044 4.518 4.470 0.007 0.000 0.274 253 S C 0.580 175.168 174.600 -0.019 0.000 1.329 253 S CA -0.468 57.721 58.200 -0.018 0.000 1.036 253 S CB 0.881 64.068 63.200 -0.022 0.000 0.919 253 S HN -0.113 8.197 8.310 -0.000 0.000 0.515 254 D N 2.139 122.527 120.400 -0.020 0.000 2.366 254 D HA 0.177 4.821 4.640 0.007 0.000 0.205 254 D C 0.276 176.559 176.300 -0.027 0.000 1.022 254 D CA 0.254 54.241 54.000 -0.021 0.000 0.868 254 D CB -0.007 40.783 40.800 -0.017 0.000 0.953 254 D HN 0.497 8.867 8.370 -0.000 0.000 0.514 255 L N 2.123 123.326 121.223 -0.033 0.000 2.499 255 L HA 0.097 4.441 4.340 0.007 0.000 0.273 255 L C 0.755 177.591 176.870 -0.057 0.000 1.195 255 L CA 0.448 55.261 54.840 -0.045 0.000 0.882 255 L CB 0.154 42.185 42.059 -0.047 0.000 1.133 255 L HN -0.076 8.154 8.230 -0.000 0.000 0.483 256 K N 2.934 123.289 120.400 -0.074 0.000 2.508 256 K HA 0.702 5.026 4.320 0.007 0.000 0.260 256 K C -2.950 173.547 176.600 -0.171 0.000 0.949 256 K CA -1.921 54.304 56.287 -0.102 0.000 0.834 256 K CB 1.647 34.107 32.500 -0.067 0.000 1.365 256 K HN 0.158 8.408 8.250 -0.000 0.000 0.437 257 P HA 0.231 4.651 4.420 -0.000 0.000 0.275 257 P C -1.244 175.776 177.300 -0.466 0.000 1.228 257 P CA -0.444 62.329 63.100 -0.545 0.000 0.786 257 P CB 0.491 31.539 31.700 -1.088 0.000 0.927 258 N N 0.525 119.051 118.700 -0.290 0.000 2.369 258 N HA 0.058 4.802 4.740 0.007 0.000 0.287 258 N C 0.542 176.114 175.510 0.103 0.000 1.067 258 N CA -0.339 52.696 53.050 -0.025 0.000 0.888 258 N CB 0.900 39.371 38.487 -0.027 0.000 1.616 258 N HN 0.367 8.747 8.380 -0.000 0.000 0.482 259 H N 2.535 121.689 119.070 0.139 0.000 2.353 259 H HA -0.022 4.537 4.556 0.007 0.000 0.298 259 H C 0.905 176.272 175.328 0.065 0.000 1.103 259 H CA 2.034 58.165 56.048 0.139 0.000 1.293 259 H CB 0.597 30.424 29.762 0.109 0.000 1.372 259 H HN 0.577 8.857 8.280 -0.000 0.000 0.501 260 E N 0.526 120.741 120.200 0.026 0.000 2.085 260 E HA -0.170 4.184 4.350 0.007 0.000 0.194 260 E C 2.245 178.805 176.600 -0.068 0.000 0.994 260 E CA 1.244 57.611 56.400 -0.054 0.000 0.801 260 E CB -0.169 29.526 29.700 -0.007 0.000 0.743 260 E HN 0.666 9.026 8.360 -0.000 0.000 0.453 261 E N 0.082 120.256 120.200 -0.043 0.000 2.150 261 E HA -0.102 4.252 4.350 0.007 0.000 0.193 261 E C 2.137 178.703 176.600 -0.056 0.000 0.985 261 E CA 0.615 56.985 56.400 -0.051 0.000 0.814 261 E CB 0.155 29.823 29.700 -0.053 0.000 0.752 261 E HN -0.002 8.358 8.360 -0.000 0.000 0.466 262 V N 1.012 120.895 119.914 -0.051 0.000 2.307 262 V HA -0.253 3.871 4.120 0.007 0.000 0.245 262 V C 2.206 178.251 176.094 -0.081 0.000 1.045 262 V CA 1.450 63.730 62.300 -0.035 0.000 1.024 262 V CB -0.386 31.465 31.823 0.048 0.000 0.651 262 V HN 0.301 8.491 8.190 -0.000 0.000 0.449 263 L N 0.047 121.170 121.223 -0.168 0.000 2.083 263 L HA -0.177 4.167 4.340 0.007 0.000 0.209 263 L C 2.721 179.536 176.870 -0.092 0.000 1.083 263 L CA 1.531 56.278 54.840 -0.156 0.000 0.752 263 L CB -0.836 41.099 42.059 -0.207 0.000 0.899 263 L HN 0.377 8.607 8.230 -0.000 0.000 0.433 264 A N -0.219 122.554 122.820 -0.078 0.000 1.858 264 A HA -0.194 4.130 4.320 0.007 0.000 0.216 264 A C 2.378 179.932 177.584 -0.049 0.000 1.190 264 A CA 2.341 54.344 52.037 -0.056 0.000 0.617 264 A CB -0.966 18.004 19.000 -0.050 0.000 0.827 264 A HN 0.360 8.510 8.150 -0.000 0.000 0.443 265 T N -0.096 114.429 114.554 -0.049 0.000 2.746 265 T HA -0.056 4.298 4.350 0.007 0.000 0.267 265 T C 1.970 176.648 174.700 -0.037 0.000 1.039 265 T CA 1.474 63.546 62.100 -0.046 0.000 1.142 265 T CB -0.736 68.104 68.868 -0.046 0.000 0.866 265 T HN 0.609 8.849 8.240 -0.000 0.000 0.444 266 G N 1.319 110.101 108.800 -0.030 0.000 2.476 266 G HA2 -0.158 3.806 3.960 0.007 0.000 0.218 266 G HA3 -0.158 3.806 3.960 0.007 0.000 0.218 266 G C 1.833 176.718 174.900 -0.025 0.000 1.164 266 G CA 1.075 46.164 45.100 -0.019 0.000 0.768 266 G HN 0.598 8.888 8.290 -0.000 0.000 0.560 267 A N 0.092 122.889 122.820 -0.038 0.000 1.877 267 A HA -0.092 4.232 4.320 0.007 0.000 0.216 267 A C 2.330 179.896 177.584 -0.030 0.000 1.186 267 A CA 2.090 54.105 52.037 -0.036 0.000 0.620 267 A CB -0.494 18.482 19.000 -0.040 0.000 0.822 267 A HN 0.423 8.573 8.150 -0.000 0.000 0.443 268 Q N -1.247 118.534 119.800 -0.033 0.000 2.170 268 Q HA -0.069 4.275 4.340 0.007 0.000 0.203 268 Q C 1.965 177.948 176.000 -0.029 0.000 0.976 268 Q CA 1.239 57.021 55.803 -0.034 0.000 0.858 268 Q CB 0.052 28.765 28.738 -0.042 0.000 0.907 268 Q HN 0.409 8.679 8.270 -0.000 0.000 0.433 269 R N -1.387 119.102 120.500 -0.017 0.000 2.334 269 R HA 0.252 4.596 4.340 0.007 0.000 0.212 269 R C 1.660 178.000 176.300 0.066 0.000 0.897 269 R CA 0.644 56.755 56.100 0.018 0.000 1.056 269 R CB 0.242 30.540 30.300 -0.003 0.000 1.046 269 R HN 0.171 8.441 8.270 -0.000 0.000 0.513 270 A N 1.437 124.270 122.820 0.021 0.000 1.940 270 A HA -0.226 4.098 4.320 0.007 0.000 0.219 270 A C 2.057 179.632 177.584 -0.014 0.000 1.176 270 A CA 1.725 53.761 52.037 -0.002 0.000 0.631 270 A CB -0.293 18.689 19.000 -0.030 0.000 0.814 270 A HN 0.385 8.535 8.150 -0.000 0.000 0.446 271 E N -0.727 119.466 120.200 -0.011 0.000 2.072 271 E HA -0.173 4.181 4.350 0.007 0.000 0.191 271 E C 1.900 178.491 176.600 -0.015 0.000 0.985 271 E CA 1.201 57.591 56.400 -0.016 0.000 0.801 271 E CB -0.191 29.499 29.700 -0.017 0.000 0.750 271 E HN 0.432 8.792 8.360 -0.000 0.000 0.452 272 L N 0.828 122.041 121.223 -0.016 0.000 2.083 272 L HA -0.112 4.232 4.340 0.007 0.000 0.209 272 L C 2.344 179.198 176.870 -0.026 0.000 1.083 272 L CA 1.779 56.571 54.840 -0.079 0.000 0.752 272 L CB -0.420 41.582 42.059 -0.095 0.000 0.899 272 L HN 0.282 8.512 8.230 -0.000 0.000 0.433 273 M N -1.376 118.266 119.600 0.069 0.000 2.200 273 M HA -0.210 4.274 4.480 0.007 0.000 0.265 273 M C 2.304 178.570 176.300 -0.057 0.000 1.066 273 M CA 1.715 57.030 55.300 0.025 0.000 1.127 273 M CB -0.155 32.438 32.600 -0.011 0.000 1.379 273 M HN 0.504 8.794 8.290 -0.000 0.000 0.420 274 Q N -0.724 119.029 119.800 -0.078 0.000 2.050 274 Q HA -0.220 4.124 4.340 0.007 0.000 0.202 274 Q C 1.974 178.020 176.000 0.077 0.000 0.980 274 Q CA 2.226 57.995 55.803 -0.057 0.000 0.840 274 Q CB -0.266 28.448 28.738 -0.040 0.000 0.898 274 Q HN 0.553 8.823 8.270 -0.000 0.000 0.424 275 S N -0.415 115.338 115.700 0.088 0.000 2.368 275 S HA -0.168 4.306 4.470 0.007 0.000 0.225 275 S C 1.497 176.268 174.600 0.285 0.000 1.030 275 S CA 1.210 59.492 58.200 0.137 0.000 0.999 275 S CB -0.617 62.631 63.200 0.079 0.000 0.844 275 S HN 0.685 8.995 8.310 -0.000 0.000 0.459 276 W N 1.456 122.822 121.300 0.109 0.000 2.335 276 W HA -0.032 4.629 4.660 0.001 0.000 0.311 276 W C 1.625 178.319 176.519 0.291 0.000 1.213 276 W CA 0.977 58.477 57.345 0.258 0.000 1.274 276 W CB -1.207 28.405 29.460 0.253 0.000 1.148 276 W HN 0.357 8.537 8.180 -0.000 0.000 0.498 277 F N 1.050 121.023 119.950 0.038 0.000 2.134 277 F HA -0.175 4.357 4.527 0.009 0.000 0.299 277 F C 2.375 178.142 175.800 -0.054 0.000 1.097 277 F CA 2.023 59.950 58.000 -0.122 0.000 1.264 277 F CB -1.294 37.658 39.000 -0.079 0.000 1.001 277 F HN -0.012 8.288 8.300 -0.000 0.000 0.479 278 E N -0.161 120.163 120.200 0.207 0.000 2.110 278 E HA -0.210 4.144 4.350 0.007 0.000 0.193 278 E C 2.099 178.752 176.600 0.087 0.000 0.988 278 E CA 1.228 57.698 56.400 0.117 0.000 0.804 278 E CB -0.149 29.613 29.700 0.105 0.000 0.745 278 E HN 0.377 8.737 8.360 -0.000 0.000 0.458 279 K N 0.267 120.748 120.400 0.135 0.000 2.103 279 K HA -0.040 4.284 4.320 0.007 0.000 0.204 279 K C 2.068 178.696 176.600 0.046 0.000 1.052 279 K CA 0.637 56.995 56.287 0.118 0.000 0.945 279 K CB 0.047 32.667 32.500 0.201 0.000 0.722 279 K HN 0.077 8.327 8.250 -0.000 0.000 0.443 280 I N 1.065 121.625 120.570 -0.017 0.000 2.142 280 I HA -0.297 3.878 4.170 0.007 0.000 0.240 280 I C 2.108 178.130 176.117 -0.159 0.000 1.078 280 I CA 1.346 62.541 61.300 -0.175 0.000 1.343 280 I CB -0.189 37.530 38.000 -0.468 0.000 1.046 280 I HN 0.101 8.311 8.210 -0.000 0.000 0.405 281 I N 0.393 120.886 120.570 -0.130 0.000 2.264 281 I HA -0.318 3.856 4.170 0.007 0.000 0.248 281 I C 2.552 178.639 176.117 -0.050 0.000 1.111 281 I CA 1.446 62.691 61.300 -0.091 0.000 1.382 281 I CB -0.425 37.547 38.000 -0.047 0.000 1.060 281 I HN 0.323 8.533 8.210 -0.000 0.000 0.418 282 E N 1.350 121.536 120.200 -0.025 0.000 2.153 282 E HA -0.216 4.138 4.350 0.007 0.000 0.194 282 E C 1.668 178.257 176.600 -0.020 0.000 0.988 282 E CA 1.086 57.480 56.400 -0.009 0.000 0.811 282 E CB 0.174 29.881 29.700 0.012 0.000 0.746 282 E HN 0.436 8.796 8.360 -0.000 0.000 0.466 283 K N 0.078 120.456 120.400 -0.036 0.000 2.374 283 K HA 0.178 4.502 4.320 0.007 0.000 0.196 283 K C 0.139 176.706 176.600 -0.056 0.000 1.023 283 K CA -0.274 55.989 56.287 -0.039 0.000 1.103 283 K CB 0.422 32.900 32.500 -0.037 0.000 0.848 283 K HN 0.132 8.382 8.250 -0.000 0.000 0.528 284 L N 3.094 124.276 121.223 -0.069 0.000 2.490 284 L HA 0.057 4.401 4.340 0.007 0.000 0.274 284 L C -1.986 174.856 176.870 -0.047 0.000 1.201 284 L CA -1.733 53.063 54.840 -0.073 0.000 0.869 284 L CB -0.271 41.739 42.059 -0.082 0.000 1.123 284 L HN -0.118 8.112 8.230 -0.000 0.000 0.484 285 P HA 0.018 4.438 4.420 -0.000 0.000 0.265 285 P C -0.945 176.340 177.300 -0.024 0.000 1.187 285 P CA 0.100 63.182 63.100 -0.030 0.000 0.766 285 P CB 0.434 32.117 31.700 -0.028 0.000 0.820 286 K N 2.499 122.889 120.400 -0.017 0.000 2.397 286 K HA 0.280 4.604 4.320 0.007 0.000 0.253 286 K C -0.898 175.697 176.600 -0.009 0.000 0.932 286 K CA -0.679 55.600 56.287 -0.012 0.000 0.795 286 K CB 1.309 33.803 32.500 -0.010 0.000 1.159 286 K HN 0.320 8.570 8.250 -0.000 0.000 0.424 287 D N 0.000 120.396 120.400 -0.007 0.000 6.856 287 D HA 0.000 4.644 4.640 0.007 0.000 0.175 287 D CA 0.000 53.997 54.000 -0.005 0.000 0.868 287 D CB 0.000 40.797 40.800 -0.004 0.000 0.688 287 D HN 0.000 8.370 8.370 -0.000 0.000 0.683