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 1td1_1_C DATA FIRST_RESID 3 DATA SEQUENCE ESVTANIENV KKVAHHIQKL TSIVPEIGII CGSGLGKLAD GVKDKITIPY DATA SEQUENCE TKIPNFPQTS VVGHSGNLIF GTLSGRKVVV MQGRFHMYEG YSNDTVALPI DATA SEQUENCE RVMKLLGVKI LMVSNAAGGL NRSLKLGDFV ILKDHIYLPG LGLNNILVGP DATA SEQUENCE NQEAFGTRFP ALSNAYDRDL RKLAVQVAEE NGFGNLVHQG VYVMNGGPCY DATA SEQUENCE ETPAECTMLL NMGCDVVGMS TIPEVVIARH CGIQVFAVSL VTNISVLDVE DATA SEQUENCE SDLKPNHEEV LATGAQRAEL MQSWFEKIIE KLPKD 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 3 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 3 E C 0.000 176.572 176.600 -0.047 0.000 1.382 3 E CA 0.000 56.383 56.400 -0.028 0.000 0.976 3 E CB 0.000 29.679 29.700 -0.035 0.000 0.812 4 S N -1.490 114.187 115.700 -0.039 0.000 3.569 4 S HA 0.162 4.629 4.470 -0.005 0.000 0.635 4 S C 0.914 175.473 174.600 -0.068 0.000 2.396 4 S CA 1.108 59.273 58.200 -0.058 0.000 2.612 4 S CB -2.018 61.123 63.200 -0.099 0.000 0.331 4 S HN 1.936 10.246 8.310 -0.000 0.000 1.764 5 V N -0.198 119.664 119.914 -0.087 0.000 2.583 5 V HA 0.669 4.786 4.120 -0.005 0.000 0.287 5 V C 0.746 176.783 176.094 -0.096 0.000 1.051 5 V CA 0.140 62.393 62.300 -0.078 0.000 1.010 5 V CB 0.517 32.297 31.823 -0.072 0.000 0.988 5 V HN 1.338 9.528 8.190 -0.000 0.000 0.478 6 T N 4.620 119.131 114.554 -0.070 0.000 2.934 6 T HA 0.319 4.666 4.350 -0.005 0.000 0.306 6 T C 0.901 175.553 174.700 -0.080 0.000 1.042 6 T CA 0.599 62.657 62.100 -0.069 0.000 1.145 6 T CB 0.945 69.789 68.868 -0.040 0.000 0.982 6 T HN 1.353 9.593 8.240 -0.000 0.000 0.544 7 A N 4.069 126.825 122.820 -0.106 0.000 3.074 7 A HA 0.245 4.562 4.320 -0.005 0.000 0.251 7 A C 0.837 178.404 177.584 -0.028 0.000 1.695 7 A CA -0.879 51.076 52.037 -0.138 0.000 1.343 7 A CB -0.979 17.878 19.000 -0.238 0.000 1.078 7 A HN 0.848 8.998 8.150 -0.000 0.000 0.644 8 N N -0.722 118.009 118.700 0.052 0.000 2.448 8 N HA 0.288 5.026 4.740 -0.005 0.000 0.274 8 N C 0.648 176.314 175.510 0.260 0.000 1.239 8 N CA -0.861 52.288 53.050 0.165 0.000 0.982 8 N CB 0.203 38.729 38.487 0.065 0.000 1.199 8 N HN 0.021 8.401 8.380 -0.000 0.000 0.576 9 I N -0.337 120.343 120.570 0.184 0.000 2.315 9 I HA -0.133 4.034 4.170 -0.005 0.000 0.248 9 I C 1.487 177.617 176.117 0.022 0.000 1.117 9 I CA 1.532 62.867 61.300 0.059 0.000 1.404 9 I CB -0.576 37.316 38.000 -0.181 0.000 1.071 9 I HN 0.597 8.807 8.210 -0.000 0.000 0.419 10 E N 0.630 120.830 120.200 -0.000 0.000 2.031 10 E HA -0.174 4.174 4.350 -0.005 0.000 0.193 10 E C 2.013 178.585 176.600 -0.046 0.000 0.994 10 E CA 1.542 57.924 56.400 -0.030 0.000 0.800 10 E CB -0.393 29.293 29.700 -0.023 0.000 0.752 10 E HN 0.453 8.813 8.360 -0.000 0.000 0.447 11 N N -0.037 118.647 118.700 -0.027 0.000 2.188 11 N HA -0.102 4.635 4.740 -0.005 0.000 0.184 11 N C 1.812 177.286 175.510 -0.059 0.000 1.018 11 N CA 0.861 53.882 53.050 -0.048 0.000 0.858 11 N CB -0.355 38.106 38.487 -0.044 0.000 0.989 11 N HN 0.014 8.394 8.380 -0.000 0.000 0.426 12 V N 1.342 121.249 119.914 -0.012 0.000 2.358 12 V HA -0.169 3.948 4.120 -0.005 0.000 0.246 12 V C 2.179 178.239 176.094 -0.058 0.000 1.047 12 V CA 1.418 63.718 62.300 -0.001 0.000 1.035 12 V CB -0.359 31.539 31.823 0.126 0.000 0.658 12 V HN 0.260 8.450 8.190 -0.000 0.000 0.452 13 K N -0.064 120.267 120.400 -0.115 0.000 2.057 13 K HA -0.181 4.137 4.320 -0.005 0.000 0.207 13 K C 2.282 178.538 176.600 -0.573 0.000 1.049 13 K CA 1.432 57.500 56.287 -0.365 0.000 0.931 13 K CB -0.192 32.102 32.500 -0.343 0.000 0.714 13 K HN 0.371 8.621 8.250 -0.000 0.000 0.440 14 K N 0.351 120.543 120.400 -0.346 0.000 2.032 14 K HA -0.142 4.176 4.320 -0.005 0.000 0.209 14 K C 2.030 178.400 176.600 -0.383 0.000 1.048 14 K CA 1.423 57.499 56.287 -0.352 0.000 0.927 14 K CB -0.123 32.227 32.500 -0.249 0.000 0.712 14 K HN -0.032 8.218 8.250 -0.000 0.000 0.441 15 V N 1.164 120.964 119.914 -0.190 0.000 2.358 15 V HA -0.239 3.879 4.120 -0.005 0.000 0.246 15 V C 2.334 178.444 176.094 0.028 0.000 1.047 15 V CA 1.975 64.263 62.300 -0.021 0.000 1.035 15 V CB -0.626 31.247 31.823 0.083 0.000 0.658 15 V HN 0.359 8.549 8.190 -0.000 0.000 0.452 16 A N -0.876 121.928 122.820 -0.027 0.000 1.902 16 A HA -0.269 4.049 4.320 -0.005 0.000 0.217 16 A C 2.004 179.659 177.584 0.119 0.000 1.181 16 A CA 2.112 54.174 52.037 0.042 0.000 0.623 16 A CB -0.866 18.141 19.000 0.011 0.000 0.818 16 A HN 0.747 8.897 8.150 -0.000 0.000 0.443 17 H N -2.156 116.909 119.070 -0.008 0.000 2.389 17 H HA -0.095 4.459 4.556 -0.004 0.000 0.299 17 H C 2.066 177.431 175.328 0.062 0.000 1.081 17 H CA 1.128 57.173 56.048 -0.005 0.000 1.345 17 H CB -0.148 29.588 29.762 -0.044 0.000 1.393 17 H HN 0.718 8.998 8.280 -0.000 0.000 0.520 18 H N 0.241 119.385 119.070 0.124 0.000 2.319 18 H HA -0.129 4.424 4.556 -0.005 0.000 0.299 18 H C 2.270 177.609 175.328 0.019 0.000 1.092 18 H CA 1.098 57.181 56.048 0.059 0.000 1.302 18 H CB 0.143 29.935 29.762 0.049 0.000 1.373 18 H HN 0.262 8.542 8.280 -0.000 0.000 0.497 19 I N 0.684 121.343 120.570 0.148 0.000 2.286 19 I HA -0.263 3.904 4.170 -0.005 0.000 0.248 19 I C 2.115 178.189 176.117 -0.072 0.000 1.115 19 I CA 1.254 62.568 61.300 0.023 0.000 1.392 19 I CB -0.188 37.843 38.000 0.052 0.000 1.065 19 I HN 0.322 8.532 8.210 -0.000 0.000 0.418 20 Q N 0.263 120.055 119.800 -0.012 0.000 2.369 20 Q HA -0.178 4.160 4.340 -0.005 0.000 0.206 20 Q C 2.027 177.994 176.000 -0.055 0.000 0.963 20 Q CA 0.892 56.662 55.803 -0.054 0.000 0.894 20 Q CB 0.034 28.778 28.738 0.009 0.000 0.965 20 Q HN 0.366 8.636 8.270 -0.000 0.000 0.475 21 K N -0.114 120.276 120.400 -0.017 0.000 2.296 21 K HA -0.058 4.260 4.320 -0.005 0.000 0.200 21 K C 1.081 177.652 176.600 -0.049 0.000 1.048 21 K CA 0.408 56.683 56.287 -0.021 0.000 0.966 21 K CB 0.369 32.879 32.500 0.016 0.000 0.754 21 K HN 0.069 8.319 8.250 -0.000 0.000 0.466 22 L N -0.193 120.986 121.223 -0.073 0.000 2.477 22 L HA 0.120 4.457 4.340 -0.005 0.000 0.220 22 L C 0.730 177.517 176.870 -0.139 0.000 1.106 22 L CA 0.780 55.566 54.840 -0.089 0.000 0.851 22 L CB 0.824 42.838 42.059 -0.075 0.000 0.994 22 L HN -0.036 8.194 8.230 -0.000 0.000 0.462 23 T N -2.632 111.797 114.554 -0.209 0.000 2.889 23 T HA 0.319 4.666 4.350 -0.005 0.000 0.315 23 T C 0.547 175.122 174.700 -0.208 0.000 1.291 23 T CA 0.105 62.052 62.100 -0.256 0.000 1.028 23 T CB 1.413 69.964 68.868 -0.528 0.000 1.235 23 T HN 0.010 8.250 8.240 -0.000 0.000 0.491 24 S N 2.691 118.308 115.700 -0.138 0.000 2.540 24 S HA 0.317 4.785 4.470 -0.005 0.000 0.218 24 S C 0.675 175.236 174.600 -0.065 0.000 0.977 24 S CA -0.404 57.744 58.200 -0.087 0.000 0.918 24 S CB -0.065 63.106 63.200 -0.049 0.000 0.806 24 S HN 0.637 8.947 8.310 -0.000 0.000 0.496 25 I N 3.370 123.892 120.570 -0.080 0.000 2.436 25 I HA 0.180 4.347 4.170 -0.005 0.000 0.289 25 I C -0.237 175.901 176.117 0.035 0.000 1.083 25 I CA -0.182 61.127 61.300 0.017 0.000 1.372 25 I CB 0.752 38.830 38.000 0.131 0.000 1.408 25 I HN 0.052 8.262 8.210 -0.000 0.000 0.516 26 V N 10.084 130.035 119.914 0.061 0.000 2.320 26 V HA 0.197 4.314 4.120 -0.005 0.000 0.265 26 V C -1.803 174.366 176.094 0.125 0.000 1.048 26 V CA -1.424 60.925 62.300 0.082 0.000 0.865 26 V CB 0.861 32.712 31.823 0.047 0.000 1.043 26 V HN 0.602 8.792 8.190 -0.000 0.000 0.474 27 P HA 0.170 4.590 4.420 -0.000 0.000 0.276 27 P C 0.266 177.619 177.300 0.090 0.000 1.230 27 P CA -0.038 63.156 63.100 0.155 0.000 0.776 27 P CB 1.788 33.598 31.700 0.184 0.000 0.888 28 E N 2.261 122.496 120.200 0.058 0.000 2.251 28 E HA 0.084 4.431 4.350 -0.005 0.000 0.194 28 E C 0.055 176.667 176.600 0.021 0.000 0.964 28 E CA 0.287 56.708 56.400 0.035 0.000 0.868 28 E CB 0.234 29.947 29.700 0.022 0.000 0.828 28 E HN 0.445 8.805 8.360 -0.000 0.000 0.481 29 I N 0.772 121.351 120.570 0.016 0.000 2.436 29 I HA 0.356 4.523 4.170 -0.005 0.000 0.289 29 I C 0.130 176.247 176.117 0.000 0.000 1.010 29 I CA -0.854 60.447 61.300 0.003 0.000 1.098 29 I CB 2.123 40.117 38.000 -0.010 0.000 1.266 29 I HN -0.058 8.152 8.210 -0.000 0.000 0.434 30 G N 6.708 115.510 108.800 0.003 0.000 2.371 30 G HA2 0.774 4.731 3.960 -0.005 0.000 0.326 30 G HA3 0.774 4.731 3.960 -0.005 0.000 0.326 30 G C -0.719 174.190 174.900 0.016 0.000 1.127 30 G CA -0.412 44.684 45.100 -0.006 0.000 0.885 30 G HN 0.498 8.788 8.290 -0.000 0.000 0.477 31 I N 2.256 122.833 120.570 0.012 0.000 2.439 31 I HA 0.288 4.455 4.170 -0.005 0.000 0.285 31 I C -0.521 175.618 176.117 0.036 0.000 1.021 31 I CA -0.554 60.780 61.300 0.055 0.000 1.091 31 I CB 2.179 40.222 38.000 0.072 0.000 1.242 31 I HN 0.226 8.436 8.210 -0.000 0.000 0.439 32 I N 5.406 126.005 120.570 0.049 0.000 2.297 32 I HA 0.216 4.383 4.170 -0.005 0.000 0.291 32 I C -0.083 176.048 176.117 0.024 0.000 1.033 32 I CA -0.363 60.955 61.300 0.031 0.000 1.253 32 I CB 0.939 38.953 38.000 0.023 0.000 1.396 32 I HN 0.568 8.778 8.210 -0.000 0.000 0.476 33 C N 6.130 125.432 119.300 0.004 0.000 2.555 33 C HA 0.469 4.926 4.460 -0.005 0.000 0.385 33 C C 1.256 176.247 174.990 0.000 0.000 1.296 33 C CA -0.216 58.789 59.018 -0.020 0.000 1.757 33 C CB -0.981 26.740 27.740 -0.032 0.000 2.445 33 C HN 0.980 9.210 8.230 -0.000 0.000 0.571 34 G N 1.956 110.755 108.800 -0.002 0.000 3.122 34 G HA2 0.492 4.449 3.960 -0.005 0.000 0.180 34 G HA3 0.492 4.449 3.960 -0.005 0.000 0.180 34 G C -0.267 174.648 174.900 0.024 0.000 1.279 34 G CA -0.197 44.930 45.100 0.045 0.000 0.987 34 G HN 0.678 8.968 8.290 -0.000 0.000 0.589 35 S N -0.586 115.148 115.700 0.057 0.000 2.544 35 S HA 0.390 4.857 4.470 -0.005 0.000 0.290 35 S C 1.489 176.098 174.600 0.014 0.000 1.276 35 S CA 1.422 59.652 58.200 0.051 0.000 1.075 35 S CB -0.196 63.057 63.200 0.089 0.000 0.849 35 S HN 2.259 10.569 8.310 -0.000 0.000 0.494 36 G N 3.626 112.425 108.800 -0.000 0.000 2.199 36 G HA2 -0.195 3.762 3.960 -0.005 0.000 0.254 36 G HA3 -0.195 3.762 3.960 -0.005 0.000 0.254 36 G C 0.453 175.288 174.900 -0.108 0.000 0.982 36 G CA 0.377 45.465 45.100 -0.019 0.000 0.632 36 G HN 0.718 9.008 8.290 -0.000 0.000 0.529 37 L N 1.105 122.246 121.223 -0.135 0.000 2.769 37 L HA 0.324 4.661 4.340 -0.005 0.000 0.240 37 L C 2.528 179.335 176.870 -0.105 0.000 1.163 37 L CA 0.576 55.301 54.840 -0.190 0.000 0.962 37 L CB 0.044 41.948 42.059 -0.257 0.000 1.258 37 L HN 0.263 8.493 8.230 -0.000 0.000 0.513 38 G N 0.660 109.421 108.800 -0.066 0.000 2.442 38 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.219 38 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.219 38 G C 1.632 176.507 174.900 -0.042 0.000 1.141 38 G CA 0.548 45.621 45.100 -0.045 0.000 0.763 38 G HN 0.311 8.601 8.290 -0.000 0.000 0.554 39 K N -0.549 119.825 120.400 -0.042 0.000 2.167 39 K HA 0.159 4.477 4.320 -0.005 0.000 0.203 39 K C 2.324 178.908 176.600 -0.027 0.000 1.052 39 K CA 0.365 56.634 56.287 -0.029 0.000 0.956 39 K CB -0.174 32.313 32.500 -0.022 0.000 0.735 39 K HN 0.253 8.503 8.250 -0.000 0.000 0.451 40 L N 1.509 122.705 121.223 -0.045 0.000 2.042 40 L HA -0.178 4.159 4.340 -0.005 0.000 0.210 40 L C 2.281 179.140 176.870 -0.019 0.000 1.076 40 L CA 1.706 56.528 54.840 -0.031 0.000 0.749 40 L CB -0.514 41.506 42.059 -0.066 0.000 0.893 40 L HN 0.128 8.358 8.230 -0.000 0.000 0.432 41 A N -0.699 122.101 122.820 -0.032 0.000 1.908 41 A HA -0.261 4.056 4.320 -0.005 0.000 0.218 41 A C 2.019 179.593 177.584 -0.017 0.000 1.181 41 A CA 2.096 54.117 52.037 -0.027 0.000 0.627 41 A CB -0.892 18.086 19.000 -0.036 0.000 0.818 41 A HN 0.580 8.730 8.150 -0.000 0.000 0.445 42 D N -0.575 119.815 120.400 -0.016 0.000 2.178 42 D HA -0.074 4.564 4.640 -0.005 0.000 0.202 42 D C 1.809 178.108 176.300 -0.000 0.000 0.974 42 D CA 1.445 55.440 54.000 -0.009 0.000 0.841 42 D CB -0.471 40.323 40.800 -0.010 0.000 0.953 42 D HN 0.479 8.849 8.370 -0.000 0.000 0.478 43 G N 0.491 109.292 108.800 0.002 0.000 3.181 43 G HA2 0.126 4.083 3.960 -0.005 0.000 0.219 43 G HA3 0.126 4.083 3.960 -0.005 0.000 0.219 43 G C 0.590 175.499 174.900 0.016 0.000 1.182 43 G CA -0.218 44.889 45.100 0.011 0.000 0.791 43 G HN 0.047 8.337 8.290 -0.000 0.000 0.537 44 V N 1.567 121.489 119.914 0.013 0.000 2.599 44 V HA 0.066 4.183 4.120 -0.005 0.000 0.300 44 V C 0.422 176.530 176.094 0.023 0.000 1.034 44 V CA 0.062 62.373 62.300 0.019 0.000 1.115 44 V CB 0.764 32.596 31.823 0.014 0.000 0.934 44 V HN 0.252 8.442 8.190 -0.000 0.000 0.485 45 K N 3.764 124.180 120.400 0.027 0.000 2.174 45 K HA 0.232 4.550 4.320 -0.005 0.000 0.275 45 K C 0.039 176.659 176.600 0.033 0.000 1.015 45 K CA -0.489 55.815 56.287 0.027 0.000 0.933 45 K CB 0.548 33.064 32.500 0.026 0.000 1.025 45 K HN 0.739 8.989 8.250 -0.000 0.000 0.463 46 D N 1.512 121.929 120.400 0.030 0.000 2.689 46 D HA -0.170 4.467 4.640 -0.005 0.000 0.237 46 D C -0.236 176.090 176.300 0.044 0.000 1.148 46 D CA 1.073 55.092 54.000 0.032 0.000 0.656 46 D CB -0.973 39.846 40.800 0.031 0.000 1.050 46 D HN 0.627 8.997 8.370 -0.000 0.000 0.426 47 K N -0.111 120.315 120.400 0.043 0.000 2.295 47 K HA 0.518 4.836 4.320 -0.005 0.000 0.270 47 K C 0.168 176.806 176.600 0.064 0.000 1.011 47 K CA -0.176 56.146 56.287 0.057 0.000 0.953 47 K CB 1.081 33.606 32.500 0.040 0.000 0.956 47 K HN 0.141 8.391 8.250 -0.000 0.000 0.477 48 I N 2.246 122.877 120.570 0.101 0.000 2.447 48 I HA 0.141 4.308 4.170 -0.005 0.000 0.287 48 I C -0.844 175.351 176.117 0.129 0.000 1.023 48 I CA -0.660 60.699 61.300 0.097 0.000 1.083 48 I CB 2.379 40.432 38.000 0.088 0.000 1.245 48 I HN 0.689 8.899 8.210 -0.000 0.000 0.434 49 T N 7.179 121.778 114.554 0.076 0.000 2.749 49 T HA 0.576 4.923 4.350 -0.005 0.000 0.287 49 T C -0.048 174.685 174.700 0.056 0.000 0.970 49 T CA -0.234 61.901 62.100 0.060 0.000 0.980 49 T CB 0.597 69.476 68.868 0.019 0.000 0.924 49 T HN 0.267 8.507 8.240 -0.000 0.000 0.456 50 I N 5.580 126.197 120.570 0.079 0.000 2.405 50 I HA 0.300 4.467 4.170 -0.005 0.000 0.280 50 I C -2.435 173.697 176.117 0.026 0.000 1.027 50 I CA -2.691 58.644 61.300 0.059 0.000 1.161 50 I CB 1.462 39.524 38.000 0.103 0.000 1.300 50 I HN 0.266 8.476 8.210 -0.000 0.000 0.463 51 P HA -0.015 4.405 4.420 -0.000 0.000 0.269 51 P C 0.232 177.582 177.300 0.084 0.000 1.209 51 P CA -0.029 63.055 63.100 -0.026 0.000 0.776 51 P CB 0.375 32.061 31.700 -0.023 0.000 0.876 52 Y N 0.929 121.216 120.300 -0.023 0.000 2.256 52 Y HA -0.189 4.358 4.550 -0.005 0.000 0.288 52 Y C 2.442 178.388 175.900 0.076 0.000 1.155 52 Y CA 1.827 59.939 58.100 0.020 0.000 1.203 52 Y CB -2.272 36.335 38.460 0.245 0.000 0.980 52 Y HN 0.369 8.649 8.280 -0.000 0.000 0.530 53 T N -2.053 112.627 114.554 0.209 0.000 2.849 53 T HA -0.145 4.202 4.350 -0.005 0.000 0.270 53 T C 1.402 176.154 174.700 0.086 0.000 1.066 53 T CA 1.101 63.281 62.100 0.133 0.000 1.130 53 T CB -0.089 68.825 68.868 0.077 0.000 0.864 53 T HN 0.065 8.305 8.240 -0.000 0.000 0.481 54 K N 0.883 121.320 120.400 0.062 0.000 2.404 54 K HA 0.366 4.683 4.320 -0.005 0.000 0.194 54 K C 0.229 176.835 176.600 0.009 0.000 1.023 54 K CA 0.013 56.312 56.287 0.020 0.000 1.094 54 K CB 0.120 32.622 32.500 0.003 0.000 0.841 54 K HN 0.530 8.780 8.250 -0.000 0.000 0.523 55 I N 2.962 123.562 120.570 0.050 0.000 2.405 55 I HA 0.194 4.361 4.170 -0.005 0.000 0.280 55 I C -2.502 173.712 176.117 0.161 0.000 1.027 55 I CA -2.435 58.910 61.300 0.075 0.000 1.161 55 I CB 1.397 39.393 38.000 -0.007 0.000 1.300 55 I HN -0.297 7.913 8.210 -0.000 0.000 0.463 56 P HA 0.037 4.457 4.420 -0.000 0.000 0.262 56 P C 0.128 177.552 177.300 0.208 0.000 1.182 56 P CA 0.547 63.753 63.100 0.177 0.000 0.761 56 P CB 0.234 32.051 31.700 0.195 0.000 0.795 57 N N -1.146 117.633 118.700 0.131 0.000 2.955 57 N HA -0.256 4.481 4.740 -0.005 0.000 0.230 57 N C -0.117 175.414 175.510 0.036 0.000 0.891 57 N CA 0.079 53.168 53.050 0.065 0.000 1.002 57 N CB -1.436 37.073 38.487 0.038 0.000 1.063 57 N HN 0.352 8.732 8.380 -0.000 0.000 0.601 58 F N 3.341 123.263 119.950 -0.046 0.000 2.484 58 F HA 0.227 4.752 4.527 -0.005 0.000 0.360 58 F C -1.620 174.083 175.800 -0.162 0.000 1.101 58 F CA -1.596 56.326 58.000 -0.130 0.000 1.251 58 F CB 0.566 39.507 39.000 -0.100 0.000 1.132 58 F HN -0.095 8.205 8.300 -0.000 0.000 0.570 59 P HA -0.001 4.420 4.420 -0.000 0.000 0.269 59 P C -1.525 175.792 177.300 0.029 0.000 1.215 59 P CA -0.132 62.650 63.100 -0.530 0.000 0.780 59 P CB 0.665 31.543 31.700 -1.370 0.000 0.898 60 Q N 0.670 120.608 119.800 0.230 0.000 2.322 60 Q HA 0.522 4.859 4.340 -0.005 0.000 0.265 60 Q C -0.181 176.115 176.000 0.494 0.000 0.985 60 Q CA -0.170 55.879 55.803 0.411 0.000 0.849 60 Q CB 2.156 31.057 28.738 0.271 0.000 1.274 60 Q HN 0.402 8.672 8.270 -0.000 0.000 0.449 61 T N 0.362 115.176 114.554 0.433 0.000 2.900 61 T HA 0.692 5.039 4.350 -0.005 0.000 0.303 61 T C -1.155 173.630 174.700 0.143 0.000 1.142 61 T CA -0.300 61.938 62.100 0.230 0.000 1.007 61 T CB 1.375 70.142 68.868 -0.168 0.000 1.156 61 T HN 0.416 8.656 8.240 -0.000 0.000 0.490 62 S N 1.199 116.971 115.700 0.120 0.000 2.546 62 S HA 0.583 5.050 4.470 -0.005 0.000 0.274 62 S C -1.045 173.604 174.600 0.082 0.000 1.121 62 S CA -0.618 57.636 58.200 0.090 0.000 0.887 62 S CB 1.852 65.118 63.200 0.109 0.000 1.094 62 S HN 0.643 8.953 8.310 -0.000 0.000 0.474 63 V N 2.682 122.637 119.914 0.068 0.000 2.320 63 V HA 0.274 4.391 4.120 -0.005 0.000 0.265 63 V C 0.740 176.875 176.094 0.068 0.000 1.048 63 V CA -0.346 61.989 62.300 0.059 0.000 0.865 63 V CB 0.886 32.723 31.823 0.023 0.000 1.043 63 V HN 0.901 9.091 8.190 -0.000 0.000 0.474 64 V N 5.906 125.865 119.914 0.074 0.000 5.637 64 V HA -0.294 3.823 4.120 -0.005 0.000 0.246 64 V C 1.426 177.601 176.094 0.135 0.000 0.678 64 V CA 2.122 64.469 62.300 0.078 0.000 0.578 64 V CB -1.119 30.732 31.823 0.046 0.000 0.235 64 V HN 1.743 9.933 8.190 -0.000 0.000 0.609 65 G N 1.807 110.695 108.800 0.147 0.000 2.284 65 G HA2 -0.227 3.731 3.960 -0.005 0.000 0.216 65 G HA3 -0.227 3.731 3.960 -0.005 0.000 0.216 65 G C -0.137 174.858 174.900 0.158 0.000 1.009 65 G CA 0.254 45.449 45.100 0.159 0.000 0.625 65 G HN 1.225 9.515 8.290 -0.000 0.000 0.501 66 H N 1.556 120.630 119.070 0.008 0.000 2.705 66 H HA 0.654 5.208 4.556 -0.004 0.000 0.291 66 H C 0.725 176.035 175.328 -0.029 0.000 1.085 66 H CA 0.240 56.281 56.048 -0.012 0.000 1.357 66 H CB 1.296 31.045 29.762 -0.021 0.000 1.419 66 H HN 0.323 8.603 8.280 -0.000 0.000 0.462 67 S N 2.838 118.552 115.700 0.024 0.000 2.558 67 S HA 0.126 4.594 4.470 -0.005 0.000 0.287 67 S C 1.129 175.635 174.600 -0.156 0.000 1.321 67 S CA -0.191 57.996 58.200 -0.022 0.000 1.048 67 S CB 0.210 63.404 63.200 -0.011 0.000 0.844 67 S HN 0.830 9.140 8.310 -0.000 0.000 0.512 68 G N 3.195 111.791 108.800 -0.340 0.000 2.667 68 G HA2 0.313 4.270 3.960 -0.005 0.000 0.250 68 G HA3 0.313 4.270 3.960 -0.005 0.000 0.250 68 G C -0.478 173.736 174.900 -1.143 0.000 1.212 68 G CA -0.590 44.056 45.100 -0.757 0.000 0.874 68 G HN 0.852 9.142 8.290 -0.000 0.000 0.561 69 N N -0.927 117.216 118.700 -0.928 0.000 2.284 69 N HA 0.311 5.049 4.740 -0.005 0.000 0.289 69 N C -1.630 173.787 175.510 -0.156 0.000 1.179 69 N CA -0.691 52.070 53.050 -0.482 0.000 0.774 69 N CB 2.474 40.838 38.487 -0.205 0.000 1.548 69 N HN 0.154 8.534 8.380 -0.000 0.000 0.473 70 L N 1.712 122.972 121.223 0.060 0.000 2.275 70 L HA 0.522 4.859 4.340 -0.005 0.000 0.288 70 L C -0.369 176.488 176.870 -0.021 0.000 1.046 70 L CA -0.263 54.600 54.840 0.039 0.000 0.805 70 L CB 0.557 42.656 42.059 0.067 0.000 1.193 70 L HN 0.452 8.682 8.230 -0.000 0.000 0.426 71 I N 4.668 125.152 120.570 -0.144 0.000 2.382 71 I HA 0.323 4.490 4.170 -0.005 0.000 0.286 71 I C -0.756 175.243 176.117 -0.197 0.000 1.002 71 I CA -0.311 60.945 61.300 -0.074 0.000 1.135 71 I CB 0.864 38.834 38.000 -0.050 0.000 1.288 71 I HN 0.302 8.512 8.210 -0.000 0.000 0.448 72 F N 3.983 123.939 119.950 0.011 0.000 2.425 72 F HA 0.853 5.378 4.527 -0.004 0.000 0.331 72 F C 1.003 176.811 175.800 0.013 0.000 1.085 72 F CA -0.053 57.956 58.000 0.015 0.000 1.028 72 F CB 1.830 40.838 39.000 0.012 0.000 1.177 72 F HN 0.571 8.871 8.300 -0.000 0.000 0.487 73 G N 0.457 109.366 108.800 0.182 0.000 2.512 73 G HA2 0.433 4.390 3.960 -0.005 0.000 0.181 73 G HA3 0.433 4.390 3.960 -0.005 0.000 0.181 73 G C -1.237 173.711 174.900 0.079 0.000 1.173 73 G CA -0.205 44.961 45.100 0.111 0.000 0.988 73 G HN 0.803 9.093 8.290 -0.000 0.000 0.485 74 T N -2.126 112.460 114.554 0.053 0.000 2.906 74 T HA 0.749 5.097 4.350 -0.005 0.000 0.295 74 T C -1.679 173.040 174.700 0.032 0.000 1.075 74 T CA -0.700 61.424 62.100 0.040 0.000 1.005 74 T CB 2.284 71.173 68.868 0.036 0.000 1.136 74 T HN 1.136 9.376 8.240 -0.000 0.000 0.498 75 L N 1.931 123.171 121.223 0.028 0.000 2.482 75 L HA 0.592 4.929 4.340 -0.005 0.000 0.269 75 L C 0.275 177.159 176.870 0.024 0.000 0.967 75 L CA 0.243 55.100 54.840 0.029 0.000 0.851 75 L CB 1.592 43.670 42.059 0.033 0.000 1.242 75 L HN 1.078 9.308 8.230 -0.000 0.000 0.404 76 S N 3.072 118.788 115.700 0.026 0.000 3.614 76 S HA -0.135 4.332 4.470 -0.005 0.000 0.360 76 S C 1.207 175.815 174.600 0.014 0.000 1.023 76 S CA 1.362 59.574 58.200 0.021 0.000 1.114 76 S CB -1.631 61.580 63.200 0.018 0.000 0.907 76 S HN 1.764 10.074 8.310 -0.000 0.000 0.470 77 G N -0.339 108.471 108.800 0.017 0.000 2.168 77 G HA2 -0.328 3.629 3.960 -0.005 0.000 0.263 77 G HA3 -0.328 3.629 3.960 -0.005 0.000 0.263 77 G C -0.066 174.843 174.900 0.014 0.000 0.977 77 G CA 0.503 45.612 45.100 0.015 0.000 0.659 77 G HN 0.609 8.899 8.290 -0.000 0.000 0.533 78 R N 0.212 120.720 120.500 0.014 0.000 2.562 78 R HA 0.442 4.779 4.340 -0.005 0.000 0.298 78 R C 0.177 176.491 176.300 0.025 0.000 0.961 78 R CA -0.822 55.285 56.100 0.013 0.000 0.881 78 R CB 1.091 31.391 30.300 0.001 0.000 1.159 78 R HN 0.290 8.560 8.270 -0.000 0.000 0.450 79 K N 1.826 122.246 120.400 0.033 0.000 2.379 79 K HA 0.228 4.546 4.320 -0.005 0.000 0.284 79 K C 0.341 176.972 176.600 0.052 0.000 1.044 79 K CA -0.221 56.099 56.287 0.055 0.000 0.974 79 K CB 0.758 33.299 32.500 0.067 0.000 0.962 79 K HN 0.424 8.674 8.250 -0.000 0.000 0.474 80 V N -0.191 119.754 119.914 0.052 0.000 3.040 80 V HA 0.668 4.786 4.120 -0.005 0.000 0.312 80 V C -0.979 175.079 176.094 -0.059 0.000 1.115 80 V CA -1.008 61.296 62.300 0.008 0.000 0.998 80 V CB 1.989 33.809 31.823 -0.005 0.000 1.042 80 V HN 0.438 8.628 8.190 -0.000 0.000 0.433 81 V N 3.027 122.839 119.914 -0.170 0.000 2.588 81 V HA 0.769 4.886 4.120 -0.005 0.000 0.304 81 V C -0.801 175.130 176.094 -0.273 0.000 1.042 81 V CA -0.265 61.749 62.300 -0.477 0.000 0.877 81 V CB 1.919 33.326 31.823 -0.693 0.000 0.996 81 V HN 0.949 9.139 8.190 -0.000 0.000 0.425 82 V N 7.829 127.583 119.914 -0.267 0.000 2.417 82 V HA 0.474 4.592 4.120 -0.005 0.000 0.291 82 V C 0.203 176.247 176.094 -0.084 0.000 1.024 82 V CA -0.488 61.740 62.300 -0.120 0.000 0.861 82 V CB 1.709 33.484 31.823 -0.080 0.000 0.985 82 V HN 0.911 9.101 8.190 -0.000 0.000 0.436 83 M N 4.361 123.958 119.600 -0.006 0.000 2.077 83 M HA 0.329 4.806 4.480 -0.005 0.000 0.348 83 M C -0.061 176.271 176.300 0.053 0.000 1.252 83 M CA 0.074 55.432 55.300 0.096 0.000 1.096 83 M CB 0.739 33.422 32.600 0.138 0.000 1.568 83 M HN 0.701 8.991 8.290 -0.000 0.000 0.456 84 Q N 3.572 123.384 119.800 0.020 0.000 2.509 84 Q HA 0.519 4.857 4.340 -0.005 0.000 0.236 84 Q C -0.716 175.205 176.000 -0.132 0.000 1.073 84 Q CA -0.315 55.449 55.803 -0.065 0.000 0.867 84 Q CB 0.946 29.624 28.738 -0.101 0.000 1.181 84 Q HN 0.953 9.223 8.270 -0.000 0.000 0.526 85 G N 3.294 112.045 108.800 -0.081 0.000 3.313 85 G HA2 -0.080 3.878 3.960 -0.005 0.000 0.659 85 G HA3 -0.080 3.878 3.960 -0.005 0.000 0.659 85 G C -1.213 173.562 174.900 -0.208 0.000 1.286 85 G CA -0.974 44.042 45.100 -0.140 0.000 1.077 85 G HN 0.561 8.851 8.290 -0.000 0.000 0.551 86 R N 0.217 120.460 120.500 -0.429 0.000 2.902 86 R HA 0.799 5.137 4.340 -0.005 0.000 0.258 86 R C -0.887 174.804 176.300 -1.016 0.000 1.071 86 R CA -0.993 54.732 56.100 -0.625 0.000 1.024 86 R CB 1.313 31.300 30.300 -0.522 0.000 1.184 86 R HN 0.308 8.578 8.270 -0.000 0.000 0.492 87 F N 0.898 120.554 119.950 -0.490 0.000 2.363 87 F HA 0.325 4.849 4.527 -0.004 0.000 0.366 87 F C -0.130 175.494 175.800 -0.294 0.000 1.083 87 F CA -0.693 56.980 58.000 -0.545 0.000 1.176 87 F CB 0.642 39.183 39.000 -0.764 0.000 1.432 87 F HN 0.335 8.635 8.300 -0.000 0.000 0.482 88 H N 2.644 121.724 119.070 0.017 0.000 2.582 88 H HA 0.207 4.760 4.556 -0.004 0.000 0.345 88 H C 1.247 176.430 175.328 -0.242 0.000 1.104 88 H CA -0.547 55.331 56.048 -0.285 0.000 1.390 88 H CB 1.178 30.398 29.762 -0.903 0.000 1.461 88 H HN 0.464 8.744 8.280 -0.000 0.000 0.551 89 M N 2.146 121.715 119.600 -0.053 0.000 2.374 89 M HA -0.124 4.354 4.480 -0.005 0.000 0.264 89 M C 1.448 177.741 176.300 -0.011 0.000 1.067 89 M CA 1.140 56.453 55.300 0.023 0.000 1.103 89 M CB -0.643 32.005 32.600 0.080 0.000 1.402 89 M HN 0.769 9.059 8.290 -0.000 0.000 0.444 90 Y N 0.348 120.709 120.300 0.102 0.000 2.497 90 Y HA 0.019 4.567 4.550 -0.004 0.000 0.292 90 Y C 1.705 177.597 175.900 -0.014 0.000 1.137 90 Y CA 0.441 58.553 58.100 0.020 0.000 1.285 90 Y CB -1.219 37.227 38.460 -0.024 0.000 0.991 90 Y HN 0.147 8.427 8.280 -0.000 0.000 0.556 91 E N 0.727 120.882 120.200 -0.076 0.000 2.358 91 E HA 0.076 4.423 4.350 -0.005 0.000 0.195 91 E C 1.767 178.190 176.600 -0.295 0.000 1.010 91 E CA 0.907 57.221 56.400 -0.143 0.000 0.856 91 E CB -0.251 29.286 29.700 -0.271 0.000 0.795 91 E HN 0.723 9.083 8.360 -0.000 0.000 0.504 92 G N 0.650 109.326 108.800 -0.207 0.000 2.148 92 G HA2 -0.246 3.712 3.960 -0.005 0.000 0.203 92 G HA3 -0.246 3.712 3.960 -0.005 0.000 0.203 92 G C -0.197 174.608 174.900 -0.159 0.000 0.993 92 G CA -0.219 44.784 45.100 -0.162 0.000 0.661 92 G HN 0.131 8.421 8.290 -0.000 0.000 0.518 93 Y N 2.194 122.494 120.300 0.000 0.000 2.480 93 Y HA 0.444 4.991 4.550 -0.005 0.000 0.338 93 Y C 1.515 177.389 175.900 -0.044 0.000 1.220 93 Y CA 0.061 58.151 58.100 -0.016 0.000 1.430 93 Y CB 0.751 39.217 38.460 0.011 0.000 1.311 93 Y HN 0.412 8.692 8.280 -0.000 0.000 0.575 94 S N 1.184 116.948 115.700 0.107 0.000 2.632 94 S HA 0.141 4.608 4.470 -0.005 0.000 0.267 94 S C 0.906 175.491 174.600 -0.025 0.000 1.276 94 S CA -0.776 57.433 58.200 0.014 0.000 0.998 94 S CB 0.759 63.948 63.200 -0.019 0.000 0.953 94 S HN 0.685 8.995 8.310 -0.000 0.000 0.547 95 N N 1.546 120.223 118.700 -0.039 0.000 2.104 95 N HA -0.129 4.608 4.740 -0.005 0.000 0.190 95 N C 1.103 176.539 175.510 -0.123 0.000 1.024 95 N CA 1.582 54.593 53.050 -0.064 0.000 0.853 95 N CB -0.676 37.778 38.487 -0.056 0.000 1.008 95 N HN 0.671 9.051 8.380 -0.000 0.000 0.424 96 D N -0.020 120.301 120.400 -0.132 0.000 2.144 96 D HA -0.061 4.577 4.640 -0.005 0.000 0.200 96 D C 1.565 177.703 176.300 -0.269 0.000 0.978 96 D CA 0.983 54.875 54.000 -0.179 0.000 0.833 96 D CB -0.205 40.510 40.800 -0.143 0.000 0.961 96 D HN 0.234 8.604 8.370 -0.000 0.000 0.470 97 T N 0.772 115.157 114.554 -0.282 0.000 2.708 97 T HA -0.094 4.253 4.350 -0.005 0.000 0.266 97 T C 2.265 176.585 174.700 -0.632 0.000 1.037 97 T CA 0.771 62.579 62.100 -0.487 0.000 1.146 97 T CB -0.189 68.445 68.868 -0.391 0.000 0.865 97 T HN -0.031 8.209 8.240 -0.000 0.000 0.435 98 V N 1.469 121.149 119.914 -0.390 0.000 2.427 98 V HA -0.085 4.032 4.120 -0.005 0.000 0.248 98 V C 2.762 178.681 176.094 -0.292 0.000 1.051 98 V CA 1.570 63.689 62.300 -0.301 0.000 1.048 98 V CB -1.041 30.706 31.823 -0.127 0.000 0.666 98 V HN 0.508 8.698 8.190 -0.000 0.000 0.456 99 A N -0.406 122.245 122.820 -0.283 0.000 1.970 99 A HA -0.046 4.271 4.320 -0.005 0.000 0.216 99 A C 2.167 179.549 177.584 -0.336 0.000 1.170 99 A CA 1.382 53.256 52.037 -0.272 0.000 0.645 99 A CB -0.383 18.467 19.000 -0.251 0.000 0.816 99 A HN 0.477 8.627 8.150 -0.000 0.000 0.447 100 L N 0.245 121.231 121.223 -0.394 0.000 1.989 100 L HA -0.090 4.247 4.340 -0.005 0.000 0.211 100 L C -0.755 175.894 176.870 -0.368 0.000 1.071 100 L CA 2.066 56.664 54.840 -0.402 0.000 0.749 100 L CB -0.818 40.978 42.059 -0.438 0.000 0.890 100 L HN 0.193 8.423 8.230 -0.000 0.000 0.431 101 P HA -0.193 4.227 4.420 -0.000 0.000 0.216 101 P C 1.726 178.968 177.300 -0.096 0.000 1.150 101 P CA 1.432 64.391 63.100 -0.235 0.000 0.837 101 P CB -0.131 31.410 31.700 -0.266 0.000 0.786 102 I N -0.808 119.674 120.570 -0.146 0.000 2.252 102 I HA -0.137 4.031 4.170 -0.005 0.000 0.245 102 I C 2.244 178.288 176.117 -0.121 0.000 1.102 102 I CA 1.449 62.686 61.300 -0.104 0.000 1.385 102 I CB -1.396 36.535 38.000 -0.116 0.000 1.064 102 I HN 0.000 8.210 8.210 -0.000 0.000 0.414 103 R N 0.079 120.435 120.500 -0.241 0.000 2.148 103 R HA -0.042 4.296 4.340 -0.005 0.000 0.223 103 R C 2.370 178.606 176.300 -0.106 0.000 1.088 103 R CA 0.682 56.574 56.100 -0.347 0.000 0.985 103 R CB -0.209 29.547 30.300 -0.907 0.000 0.880 103 R HN 0.179 8.449 8.270 -0.000 0.000 0.451 104 V N 1.244 121.118 119.914 -0.066 0.000 2.343 104 V HA -0.267 3.850 4.120 -0.005 0.000 0.247 104 V C 2.292 178.438 176.094 0.087 0.000 1.051 104 V CA 1.724 64.052 62.300 0.046 0.000 1.036 104 V CB -0.315 31.572 31.823 0.107 0.000 0.654 104 V HN 0.326 8.516 8.190 -0.000 0.000 0.451 105 M N -0.528 119.112 119.600 0.067 0.000 2.108 105 M HA -0.240 4.237 4.480 -0.005 0.000 0.261 105 M C 2.304 178.650 176.300 0.078 0.000 1.066 105 M CA 2.000 57.345 55.300 0.076 0.000 1.107 105 M CB -0.425 32.200 32.600 0.041 0.000 1.356 105 M HN 0.189 8.479 8.290 -0.000 0.000 0.406 106 K N 1.120 121.563 120.400 0.071 0.000 2.009 106 K HA -0.106 4.212 4.320 -0.005 0.000 0.210 106 K C 1.554 178.223 176.600 0.114 0.000 1.049 106 K CA 1.635 57.980 56.287 0.098 0.000 0.929 106 K CB -0.566 32.022 32.500 0.146 0.000 0.714 106 K HN 0.312 8.562 8.250 -0.000 0.000 0.440 107 L N 0.356 121.662 121.223 0.139 0.000 2.201 107 L HA -0.092 4.245 4.340 -0.005 0.000 0.212 107 L C 2.166 179.101 176.870 0.109 0.000 1.105 107 L CA 0.699 55.612 54.840 0.122 0.000 0.775 107 L CB -0.321 41.813 42.059 0.124 0.000 0.913 107 L HN 0.200 8.430 8.230 -0.000 0.000 0.440 108 L N -0.542 120.752 121.223 0.119 0.000 2.291 108 L HA -0.007 4.330 4.340 -0.005 0.000 0.214 108 L C 1.510 178.446 176.870 0.110 0.000 1.120 108 L CA 1.019 55.938 54.840 0.131 0.000 0.799 108 L CB -0.285 41.887 42.059 0.188 0.000 0.925 108 L HN 0.516 8.746 8.230 -0.000 0.000 0.446 109 G N -1.033 107.823 108.800 0.093 0.000 2.198 109 G HA2 -0.181 3.776 3.960 -0.005 0.000 0.156 109 G HA3 -0.181 3.776 3.960 -0.005 0.000 0.156 109 G C 0.088 175.025 174.900 0.062 0.000 1.012 109 G CA -0.343 44.799 45.100 0.071 0.000 0.692 109 G HN -0.018 8.272 8.290 -0.000 0.000 0.492 110 V N 1.823 121.776 119.914 0.066 0.000 2.599 110 V HA 0.265 4.382 4.120 -0.005 0.000 0.300 110 V C 1.288 177.402 176.094 0.032 0.000 1.034 110 V CA 0.607 62.935 62.300 0.046 0.000 1.115 110 V CB 1.394 33.242 31.823 0.042 0.000 0.934 110 V HN 0.252 8.442 8.190 -0.000 0.000 0.485 111 K N 4.191 124.604 120.400 0.020 0.000 2.350 111 K HA 0.432 4.749 4.320 -0.005 0.000 0.196 111 K C 0.096 176.697 176.600 0.001 0.000 1.084 111 K CA 0.610 56.903 56.287 0.010 0.000 0.967 111 K CB 0.711 33.215 32.500 0.005 0.000 0.950 111 K HN 0.523 8.773 8.250 -0.000 0.000 0.512 112 I N 1.582 122.151 120.570 -0.001 0.000 2.545 112 I HA 0.250 4.417 4.170 -0.005 0.000 0.292 112 I C -1.259 174.861 176.117 0.005 0.000 1.040 112 I CA -1.268 60.029 61.300 -0.006 0.000 1.068 112 I CB 2.362 40.346 38.000 -0.026 0.000 1.251 112 I HN -0.192 8.018 8.210 -0.000 0.000 0.424 113 L N 7.163 128.395 121.223 0.014 0.000 2.313 113 L HA 0.615 4.953 4.340 -0.005 0.000 0.283 113 L C -0.933 175.972 176.870 0.059 0.000 1.013 113 L CA -0.093 54.763 54.840 0.026 0.000 0.816 113 L CB 1.300 43.365 42.059 0.011 0.000 1.236 113 L HN 0.523 8.753 8.230 -0.000 0.000 0.419 114 M N 5.911 125.561 119.600 0.084 0.000 2.294 114 M HA 0.620 5.097 4.480 -0.005 0.000 0.335 114 M C -1.150 175.260 176.300 0.184 0.000 1.079 114 M CA -0.799 54.595 55.300 0.157 0.000 0.982 114 M CB 2.121 34.807 32.600 0.144 0.000 1.651 114 M HN 0.455 8.745 8.290 -0.000 0.000 0.437 115 V N 2.694 122.700 119.914 0.153 0.000 2.888 115 V HA 0.809 4.926 4.120 -0.005 0.000 0.309 115 V C -0.921 175.225 176.094 0.086 0.000 1.114 115 V CA -0.248 62.112 62.300 0.100 0.000 0.940 115 V CB 2.486 34.323 31.823 0.023 0.000 1.021 115 V HN 0.995 9.185 8.190 -0.000 0.000 0.426 116 S N 4.373 120.104 115.700 0.053 0.000 2.648 116 S HA 0.894 5.362 4.470 -0.005 0.000 0.305 116 S C -0.726 173.894 174.600 0.034 0.000 1.094 116 S CA -0.452 57.760 58.200 0.020 0.000 0.983 116 S CB 1.985 65.144 63.200 -0.068 0.000 1.101 116 S HN 1.483 9.793 8.310 -0.000 0.000 0.514 117 N N -0.464 118.275 118.700 0.064 0.000 2.934 117 N HA 0.649 5.387 4.740 -0.005 0.000 0.253 117 N C -1.461 174.140 175.510 0.153 0.000 1.466 117 N CA -0.870 52.249 53.050 0.116 0.000 0.858 117 N CB 1.051 39.614 38.487 0.126 0.000 1.459 117 N HN 0.924 9.304 8.380 -0.000 0.000 0.532 118 A N -0.457 122.465 122.820 0.171 0.000 2.290 118 A HA 0.884 5.202 4.320 -0.005 0.000 0.310 118 A C -0.428 177.278 177.584 0.203 0.000 1.202 118 A CA -0.118 52.023 52.037 0.173 0.000 0.837 118 A CB -0.002 19.095 19.000 0.162 0.000 1.139 118 A HN 1.086 9.236 8.150 -0.000 0.000 0.509 119 A N 1.512 124.442 122.820 0.183 0.000 2.515 119 A HA 0.818 5.135 4.320 -0.005 0.000 0.296 119 A C 0.175 177.817 177.584 0.097 0.000 1.094 119 A CA -0.100 52.030 52.037 0.155 0.000 0.718 119 A CB 1.233 20.348 19.000 0.190 0.000 1.307 119 A HN 1.785 9.935 8.150 -0.000 0.000 0.408 120 G N -0.160 108.676 108.800 0.060 0.000 2.415 120 G HA2 0.504 4.461 3.960 -0.005 0.000 0.269 120 G HA3 0.504 4.461 3.960 -0.005 0.000 0.269 120 G C 0.328 175.229 174.900 0.001 0.000 1.209 120 G CA 0.190 45.304 45.100 0.024 0.000 0.835 120 G HN 1.274 9.564 8.290 -0.000 0.000 0.534 121 G N 1.035 109.829 108.800 -0.010 0.000 2.356 121 G HA2 0.407 4.365 3.960 -0.005 0.000 0.300 121 G HA3 0.407 4.365 3.960 -0.005 0.000 0.300 121 G C 0.807 175.688 174.900 -0.032 0.000 1.107 121 G CA -0.497 44.590 45.100 -0.022 0.000 0.960 121 G HN 0.515 8.805 8.290 -0.000 0.000 0.418 122 L N 2.468 123.672 121.223 -0.032 0.000 2.130 122 L HA 0.102 4.439 4.340 -0.005 0.000 0.200 122 L C 1.628 178.478 176.870 -0.033 0.000 1.075 122 L CA -0.122 54.699 54.840 -0.031 0.000 0.768 122 L CB -0.258 41.784 42.059 -0.029 0.000 0.933 122 L HN 0.437 8.667 8.230 -0.000 0.000 0.451 123 N N 1.467 120.145 118.700 -0.037 0.000 2.301 123 N HA -0.125 4.613 4.740 -0.005 0.000 0.267 123 N C 0.727 176.202 175.510 -0.057 0.000 1.304 123 N CA 0.315 53.337 53.050 -0.046 0.000 0.851 123 N CB 0.735 39.187 38.487 -0.059 0.000 1.070 123 N HN 0.091 8.471 8.380 -0.000 0.000 0.483 124 R N 1.736 122.209 120.500 -0.044 0.000 2.280 124 R HA -0.050 4.287 4.340 -0.005 0.000 0.207 124 R C 1.644 177.914 176.300 -0.050 0.000 1.043 124 R CA 0.645 56.720 56.100 -0.041 0.000 1.006 124 R CB -0.510 29.773 30.300 -0.028 0.000 0.885 124 R HN 0.702 8.972 8.270 -0.000 0.000 0.467 125 S N -0.287 115.373 115.700 -0.067 0.000 2.496 125 S HA 0.083 4.550 4.470 -0.005 0.000 0.224 125 S C 1.084 175.606 174.600 -0.130 0.000 0.996 125 S CA -0.146 58.009 58.200 -0.076 0.000 0.927 125 S CB -0.109 63.052 63.200 -0.065 0.000 0.774 125 S HN 0.082 8.392 8.310 -0.000 0.000 0.524 126 L N 1.694 122.818 121.223 -0.166 0.000 2.439 126 L HA 0.387 4.725 4.340 -0.005 0.000 0.269 126 L C 0.293 177.107 176.870 -0.094 0.000 1.179 126 L CA -0.134 54.590 54.840 -0.194 0.000 0.828 126 L CB 0.541 42.498 42.059 -0.169 0.000 1.106 126 L HN 0.135 8.365 8.230 -0.000 0.000 0.467 127 K N 1.759 122.120 120.400 -0.065 0.000 2.328 127 K HA 0.446 4.764 4.320 -0.005 0.000 0.246 127 K C -1.070 175.503 176.600 -0.045 0.000 0.955 127 K CA -1.228 55.033 56.287 -0.042 0.000 0.817 127 K CB 2.088 34.573 32.500 -0.025 0.000 1.208 127 K HN 0.177 8.427 8.250 -0.000 0.000 0.432 128 L N 1.630 122.826 121.223 -0.046 0.000 2.578 128 L HA -0.000 4.337 4.340 -0.005 0.000 0.279 128 L C 1.221 178.049 176.870 -0.070 0.000 1.227 128 L CA 2.124 56.936 54.840 -0.048 0.000 0.900 128 L CB -0.207 41.824 42.059 -0.046 0.000 1.144 128 L HN 1.009 9.239 8.230 -0.000 0.000 0.496 129 G N 2.112 110.867 108.800 -0.075 0.000 2.175 129 G HA2 -0.244 3.713 3.960 -0.005 0.000 0.244 129 G HA3 -0.244 3.713 3.960 -0.005 0.000 0.244 129 G C 0.257 174.977 174.900 -0.299 0.000 0.982 129 G CA 0.097 45.107 45.100 -0.149 0.000 0.641 129 G HN 0.614 8.904 8.290 -0.000 0.000 0.527 130 D N -0.004 120.293 120.400 -0.171 0.000 2.382 130 D HA 0.455 5.093 4.640 -0.005 0.000 0.240 130 D C 0.499 176.766 176.300 -0.054 0.000 1.146 130 D CA 0.297 54.213 54.000 -0.140 0.000 0.897 130 D CB 0.187 41.034 40.800 0.080 0.000 1.197 130 D HN 0.226 8.596 8.370 -0.000 0.000 0.432 131 F N 0.539 120.597 119.950 0.181 0.000 2.404 131 F HA 0.322 4.847 4.527 -0.004 0.000 0.354 131 F C 0.237 176.208 175.800 0.286 0.000 1.122 131 F CA -0.977 57.170 58.000 0.246 0.000 1.080 131 F CB 1.163 40.319 39.000 0.260 0.000 1.131 131 F HN -0.134 8.166 8.300 -0.000 0.000 0.471 132 V N 5.897 126.073 119.914 0.436 0.000 2.293 132 V HA 0.248 4.366 4.120 -0.005 0.000 0.275 132 V C 0.295 176.534 176.094 0.241 0.000 1.021 132 V CA -0.736 61.754 62.300 0.317 0.000 0.815 132 V CB 0.860 32.811 31.823 0.214 0.000 1.025 132 V HN 0.587 8.777 8.190 -0.000 0.000 0.448 133 I N 5.092 125.817 120.570 0.259 0.000 2.683 133 I HA -0.004 4.163 4.170 -0.005 0.000 0.286 133 I C 0.039 176.143 176.117 -0.021 0.000 1.175 133 I CA -0.018 61.343 61.300 0.102 0.000 1.429 133 I CB 0.558 38.698 38.000 0.233 0.000 1.371 133 I HN 0.366 8.576 8.210 -0.000 0.000 0.569 134 L N 8.174 129.268 121.223 -0.215 0.000 2.418 134 L HA 0.057 4.394 4.340 -0.005 0.000 0.274 134 L C 1.266 177.876 176.870 -0.433 0.000 1.135 134 L CA 0.587 55.166 54.840 -0.436 0.000 0.870 134 L CB 0.470 41.999 42.059 -0.884 0.000 1.154 134 L HN 0.600 8.830 8.230 -0.000 0.000 0.462 135 K N 0.066 120.318 120.400 -0.247 0.000 2.367 135 K HA 0.325 4.643 4.320 -0.005 0.000 0.195 135 K C 0.017 176.614 176.600 -0.005 0.000 1.060 135 K CA -0.142 56.111 56.287 -0.056 0.000 1.022 135 K CB 0.739 33.260 32.500 0.035 0.000 0.894 135 K HN 0.432 8.682 8.250 -0.000 0.000 0.540 136 D N 0.017 120.334 120.400 -0.137 0.000 2.692 136 D HA 0.211 4.849 4.640 -0.005 0.000 0.290 136 D C -1.629 174.697 176.300 0.044 0.000 1.281 136 D CA -0.564 53.449 54.000 0.022 0.000 0.804 136 D CB 1.469 42.295 40.800 0.044 0.000 1.331 136 D HN 0.324 8.694 8.370 -0.000 0.000 0.432 137 H N -1.096 118.097 119.070 0.205 0.000 2.985 137 H HA 0.642 5.195 4.556 -0.005 0.000 0.360 137 H C -0.989 174.459 175.328 0.201 0.000 1.221 137 H CA -0.941 55.236 56.048 0.215 0.000 1.121 137 H CB 1.363 31.295 29.762 0.284 0.000 1.854 137 H HN 0.236 8.516 8.280 -0.000 0.000 0.551 138 I N 2.339 123.180 120.570 0.452 0.000 2.411 138 I HA 0.105 4.272 4.170 -0.005 0.000 0.284 138 I C -1.113 175.232 176.117 0.380 0.000 1.012 138 I CA -0.632 60.882 61.300 0.358 0.000 1.119 138 I CB 1.851 39.969 38.000 0.197 0.000 1.261 138 I HN 0.581 8.791 8.210 -0.000 0.000 0.448 139 Y N 7.187 127.625 120.300 0.229 0.000 2.821 139 Y HA 0.300 4.847 4.550 -0.005 0.000 0.331 139 Y C 0.970 176.919 175.900 0.082 0.000 1.251 139 Y CA -0.667 57.493 58.100 0.101 0.000 1.494 139 Y CB 0.580 39.081 38.460 0.068 0.000 1.493 139 Y HN 0.652 8.932 8.280 -0.000 0.000 0.496 140 L N 4.733 126.059 121.223 0.171 0.000 2.012 140 L HA -0.174 4.164 4.340 -0.005 0.000 0.210 140 L C -0.690 176.132 176.870 -0.080 0.000 1.073 140 L CA 1.198 56.063 54.840 0.041 0.000 0.748 140 L CB -1.647 40.441 42.059 0.049 0.000 0.891 140 L HN 0.471 8.701 8.230 -0.000 0.000 0.431 141 P HA -0.140 4.280 4.420 -0.000 0.000 0.216 141 P C 1.565 178.567 177.300 -0.496 0.000 1.150 141 P CA 1.694 64.647 63.100 -0.246 0.000 0.837 141 P CB -0.190 31.422 31.700 -0.147 0.000 0.786 142 G N -0.313 107.852 108.800 -1.058 0.000 2.408 142 G HA2 -0.193 3.764 3.960 -0.005 0.000 0.217 142 G HA3 -0.193 3.764 3.960 -0.005 0.000 0.217 142 G C 1.459 176.178 174.900 -0.301 0.000 1.150 142 G CA 0.404 44.958 45.100 -0.910 0.000 0.776 142 G HN 0.227 8.517 8.290 -0.000 0.000 0.542 143 L N 0.749 121.865 121.223 -0.178 0.000 2.141 143 L HA 0.114 4.452 4.340 -0.005 0.000 0.209 143 L C 2.465 179.299 176.870 -0.060 0.000 1.094 143 L CA 0.331 55.137 54.840 -0.057 0.000 0.763 143 L CB -0.762 41.293 42.059 -0.006 0.000 0.908 143 L HN 0.305 8.535 8.230 -0.000 0.000 0.437 144 G N -0.344 108.402 108.800 -0.090 0.000 2.529 144 G HA2 0.150 4.107 3.960 -0.005 0.000 0.234 144 G HA3 0.150 4.107 3.960 -0.005 0.000 0.234 144 G C 0.358 175.212 174.900 -0.077 0.000 1.527 144 G CA -0.472 44.587 45.100 -0.069 0.000 1.062 144 G HN 0.125 8.415 8.290 -0.000 0.000 0.558 145 L N 0.085 121.269 121.223 -0.065 0.000 3.062 145 L HA 0.294 4.631 4.340 -0.005 0.000 0.255 145 L C 0.685 177.514 176.870 -0.069 0.000 1.274 145 L CA 0.018 54.825 54.840 -0.056 0.000 1.047 145 L CB 0.004 42.045 42.059 -0.031 0.000 1.402 145 L HN 0.417 8.647 8.230 -0.000 0.000 0.550 146 N N -0.255 118.378 118.700 -0.112 0.000 2.389 146 N HA 0.068 4.805 4.740 -0.005 0.000 0.260 146 N C 0.071 175.482 175.510 -0.166 0.000 1.191 146 N CA -0.246 52.740 53.050 -0.106 0.000 0.885 146 N CB 0.352 38.791 38.487 -0.081 0.000 1.162 146 N HN 0.180 8.560 8.380 -0.000 0.000 0.512 147 N N 1.730 120.318 118.700 -0.187 0.000 2.492 147 N HA 0.009 4.746 4.740 -0.005 0.000 0.262 147 N C 1.076 176.602 175.510 0.027 0.000 1.202 147 N CA 0.115 53.085 53.050 -0.133 0.000 0.926 147 N CB 0.918 39.372 38.487 -0.054 0.000 1.078 147 N HN 0.282 8.662 8.380 -0.000 0.000 0.454 148 I N 3.778 124.443 120.570 0.158 0.000 2.423 148 I HA -0.227 3.940 4.170 -0.005 0.000 0.254 148 I C 1.409 177.514 176.117 -0.019 0.000 1.151 148 I CA 1.120 62.461 61.300 0.068 0.000 1.421 148 I CB 0.247 38.289 38.000 0.070 0.000 1.079 148 I HN 0.595 8.805 8.210 -0.000 0.000 0.431 149 L N 0.223 121.433 121.223 -0.022 0.000 2.591 149 L HA 0.092 4.430 4.340 -0.005 0.000 0.228 149 L C 0.628 177.452 176.870 -0.076 0.000 1.133 149 L CA -0.373 54.407 54.840 -0.100 0.000 0.880 149 L CB 0.027 42.006 42.059 -0.133 0.000 1.033 149 L HN -0.073 8.157 8.230 -0.000 0.000 0.450 150 V N 1.012 120.901 119.914 -0.042 0.000 2.673 150 V HA 0.409 4.526 4.120 -0.005 0.000 0.303 150 V C 0.866 176.933 176.094 -0.045 0.000 1.046 150 V CA 0.745 63.023 62.300 -0.036 0.000 1.126 150 V CB 0.059 31.866 31.823 -0.027 0.000 0.934 150 V HN 0.541 8.731 8.190 -0.000 0.000 0.487 151 G N 5.904 114.679 108.800 -0.041 0.000 2.434 151 G HA2 -0.002 3.956 3.960 -0.005 0.000 0.671 151 G HA3 -0.002 3.956 3.960 -0.005 0.000 0.671 151 G C -3.055 171.815 174.900 -0.049 0.000 1.280 151 G CA -0.974 44.101 45.100 -0.041 0.000 0.975 151 G HN 0.676 8.966 8.290 -0.000 0.000 0.510 152 P HA 0.229 4.649 4.420 -0.000 0.000 0.262 152 P C 0.034 177.308 177.300 -0.044 0.000 1.182 152 P CA -0.024 63.053 63.100 -0.039 0.000 0.761 152 P CB 0.354 32.039 31.700 -0.025 0.000 0.795 153 N N 2.675 121.346 118.700 -0.050 0.000 2.497 153 N HA -0.004 4.733 4.740 -0.005 0.000 0.268 153 N C -0.298 175.229 175.510 0.029 0.000 1.171 153 N CA -0.019 53.015 53.050 -0.028 0.000 0.948 153 N CB 0.253 38.716 38.487 -0.040 0.000 1.069 153 N HN 0.157 8.537 8.380 -0.000 0.000 0.460 154 Q N 2.763 122.620 119.800 0.094 0.000 2.472 154 Q HA 0.069 4.406 4.340 -0.005 0.000 0.227 154 Q C 0.322 176.432 176.000 0.182 0.000 1.156 154 Q CA -0.199 55.701 55.803 0.161 0.000 0.924 154 Q CB 0.837 29.745 28.738 0.283 0.000 1.354 154 Q HN 0.664 8.934 8.270 -0.000 0.000 0.525 155 E N 1.489 121.728 120.200 0.064 0.000 2.209 155 E HA -0.173 4.175 4.350 -0.005 0.000 0.196 155 E C 1.447 178.014 176.600 -0.055 0.000 0.993 155 E CA 1.088 57.495 56.400 0.011 0.000 0.819 155 E CB 0.095 29.783 29.700 -0.021 0.000 0.745 155 E HN 0.611 8.971 8.360 -0.000 0.000 0.477 156 A N 0.038 122.780 122.820 -0.130 0.000 2.024 156 A HA -0.141 4.176 4.320 -0.005 0.000 0.220 156 A C 1.727 179.012 177.584 -0.498 0.000 1.164 156 A CA 1.139 52.959 52.037 -0.362 0.000 0.643 156 A CB -0.440 18.229 19.000 -0.551 0.000 0.806 156 A HN 0.161 8.311 8.150 -0.000 0.000 0.451 157 F N -1.633 118.310 119.950 -0.011 0.000 2.559 157 F HA 0.433 4.958 4.527 -0.004 0.000 0.286 157 F C 1.427 177.099 175.800 -0.213 0.000 1.108 157 F CA 0.588 58.570 58.000 -0.030 0.000 1.436 157 F CB 0.171 39.218 39.000 0.080 0.000 1.130 157 F HN 0.370 8.670 8.300 -0.000 0.000 0.584 158 G N -1.189 107.512 108.800 -0.165 0.000 2.428 158 G HA2 0.372 4.330 3.960 -0.005 0.000 0.304 158 G HA3 0.372 4.330 3.960 -0.005 0.000 0.304 158 G C -1.405 173.333 174.900 -0.270 0.000 1.303 158 G CA -0.537 44.190 45.100 -0.622 0.000 0.825 158 G HN -0.150 8.140 8.290 -0.000 0.000 0.484 159 T N -1.203 113.223 114.554 -0.213 0.000 2.902 159 T HA 0.431 4.778 4.350 -0.005 0.000 0.280 159 T C 1.667 176.407 174.700 0.067 0.000 0.992 159 T CA -0.120 61.967 62.100 -0.022 0.000 1.015 159 T CB 1.459 70.321 68.868 -0.011 0.000 1.044 159 T HN 0.641 8.881 8.240 -0.000 0.000 0.520 160 R N 1.325 121.770 120.500 -0.092 0.000 2.073 160 R HA 0.062 4.399 4.340 -0.005 0.000 0.234 160 R C -0.033 175.996 176.300 -0.452 0.000 1.134 160 R CA 1.745 57.621 56.100 -0.374 0.000 0.952 160 R CB -0.352 29.510 30.300 -0.730 0.000 0.850 160 R HN 0.551 8.821 8.270 -0.000 0.000 0.433 161 F N 2.656 122.658 119.950 0.088 0.000 2.371 161 F HA 0.416 4.940 4.527 -0.005 0.000 0.343 161 F C -1.967 173.883 175.800 0.083 0.000 1.150 161 F CA -3.003 55.043 58.000 0.077 0.000 1.220 161 F CB 0.827 39.858 39.000 0.052 0.000 1.475 161 F HN 0.010 8.310 8.300 -0.000 0.000 0.521 162 P HA 0.274 4.694 4.420 -0.000 0.000 0.271 162 P C -0.329 177.062 177.300 0.151 0.000 1.216 162 P CA -0.112 63.095 63.100 0.179 0.000 0.771 162 P CB 1.281 33.111 31.700 0.217 0.000 0.864 163 A N 3.253 126.135 122.820 0.104 0.000 2.340 163 A HA 0.388 4.705 4.320 -0.005 0.000 0.268 163 A C 0.582 178.198 177.584 0.054 0.000 1.100 163 A CA -0.518 51.564 52.037 0.075 0.000 0.803 163 A CB 0.001 19.032 19.000 0.051 0.000 1.043 163 A HN 0.628 8.778 8.150 -0.000 0.000 0.488 164 L N 2.529 123.775 121.223 0.039 0.000 3.218 164 L HA 0.104 4.441 4.340 -0.005 0.000 0.279 164 L C 1.961 178.815 176.870 -0.027 0.000 1.287 164 L CA 0.375 55.215 54.840 -0.001 0.000 1.024 164 L CB 0.223 42.286 42.059 0.007 0.000 1.409 164 L HN 0.933 9.163 8.230 -0.000 0.000 0.580 165 S N 1.117 116.814 115.700 -0.005 0.000 2.351 165 S HA -0.190 4.277 4.470 -0.005 0.000 0.220 165 S C 1.285 175.887 174.600 0.002 0.000 1.035 165 S CA 1.839 60.040 58.200 0.002 0.000 1.031 165 S CB -0.055 63.152 63.200 0.010 0.000 0.928 165 S HN 0.548 8.858 8.310 -0.000 0.000 0.433 166 N N 0.473 119.169 118.700 -0.006 0.000 2.761 166 N HA 0.540 5.277 4.740 -0.005 0.000 0.317 166 N C 0.557 176.044 175.510 -0.039 0.000 1.546 166 N CA 0.423 53.475 53.050 0.003 0.000 1.015 166 N CB 0.420 38.913 38.487 0.009 0.000 1.343 166 N HN 0.390 8.770 8.380 -0.000 0.000 0.504 167 A N -0.028 122.731 122.820 -0.100 0.000 1.933 167 A HA -0.081 4.237 4.320 -0.005 0.000 0.218 167 A C 0.087 177.387 177.584 -0.473 0.000 1.175 167 A CA 1.094 52.954 52.037 -0.296 0.000 0.628 167 A CB -0.488 18.265 19.000 -0.412 0.000 0.814 167 A HN 0.464 8.614 8.150 -0.000 0.000 0.444 168 Y N 0.760 121.064 120.300 0.007 0.000 2.700 168 Y HA 0.350 4.898 4.550 -0.004 0.000 0.333 168 Y C -0.051 175.875 175.900 0.044 0.000 1.036 168 Y CA -1.383 56.733 58.100 0.025 0.000 1.287 168 Y CB -0.146 38.325 38.460 0.018 0.000 1.132 168 Y HN 0.289 8.569 8.280 -0.000 0.000 0.510 169 D N 2.856 123.322 120.400 0.110 0.000 2.662 169 D HA -0.108 4.530 4.640 -0.005 0.000 0.237 169 D C 1.494 177.856 176.300 0.103 0.000 1.154 169 D CA 0.359 54.406 54.000 0.078 0.000 0.861 169 D CB 0.854 41.683 40.800 0.048 0.000 1.146 169 D HN 0.671 9.041 8.370 -0.000 0.000 0.518 170 R N 2.766 123.314 120.500 0.079 0.000 2.120 170 R HA -0.138 4.199 4.340 -0.005 0.000 0.234 170 R C 0.711 177.044 176.300 0.056 0.000 1.123 170 R CA 1.074 57.220 56.100 0.077 0.000 0.975 170 R CB -0.099 30.237 30.300 0.060 0.000 0.866 170 R HN 0.422 8.692 8.270 -0.000 0.000 0.446 171 D N 1.334 121.754 120.400 0.032 0.000 2.149 171 D HA -0.054 4.583 4.640 -0.005 0.000 0.201 171 D C 2.133 178.423 176.300 -0.017 0.000 0.972 171 D CA 0.982 54.985 54.000 0.006 0.000 0.835 171 D CB -0.001 40.795 40.800 -0.006 0.000 0.966 171 D HN 0.275 8.645 8.370 -0.000 0.000 0.476 172 L N 0.464 121.679 121.223 -0.014 0.000 2.109 172 L HA -0.073 4.264 4.340 -0.005 0.000 0.207 172 L C 2.580 179.408 176.870 -0.070 0.000 1.086 172 L CA 0.829 55.615 54.840 -0.091 0.000 0.760 172 L CB -0.192 41.832 42.059 -0.058 0.000 0.910 172 L HN -0.100 8.130 8.230 -0.000 0.000 0.437 173 R N 0.128 120.690 120.500 0.105 0.000 2.081 173 R HA -0.168 4.169 4.340 -0.005 0.000 0.235 173 R C 2.354 178.720 176.300 0.109 0.000 1.131 173 R CA 1.209 57.423 56.100 0.190 0.000 0.960 173 R CB -0.250 30.170 30.300 0.201 0.000 0.856 173 R HN 0.212 8.482 8.270 -0.000 0.000 0.436 174 K N 0.809 121.244 120.400 0.058 0.000 2.097 174 K HA -0.162 4.156 4.320 -0.005 0.000 0.206 174 K C 2.028 178.635 176.600 0.011 0.000 1.049 174 K CA 1.139 57.449 56.287 0.039 0.000 0.933 174 K CB -0.081 32.433 32.500 0.023 0.000 0.717 174 K HN 0.052 8.302 8.250 -0.000 0.000 0.442 175 L N 0.871 122.070 121.223 -0.040 0.000 2.056 175 L HA -0.061 4.276 4.340 -0.005 0.000 0.207 175 L C 2.161 178.988 176.870 -0.072 0.000 1.078 175 L CA 1.967 56.760 54.840 -0.078 0.000 0.749 175 L CB -0.592 41.380 42.059 -0.144 0.000 0.901 175 L HN 0.164 8.394 8.230 -0.000 0.000 0.433 176 A N -1.117 121.632 122.820 -0.118 0.000 1.898 176 A HA -0.117 4.201 4.320 -0.005 0.000 0.216 176 A C 2.248 180.051 177.584 0.366 0.000 1.181 176 A CA 1.874 53.903 52.037 -0.014 0.000 0.620 176 A CB -1.049 17.832 19.000 -0.199 0.000 0.819 176 A HN 0.299 8.449 8.150 -0.000 0.000 0.442 177 V N -0.190 119.870 119.914 0.244 0.000 2.358 177 V HA -0.247 3.870 4.120 -0.005 0.000 0.246 177 V C 2.755 178.889 176.094 0.066 0.000 1.047 177 V CA 2.033 64.440 62.300 0.179 0.000 1.035 177 V CB -0.682 31.213 31.823 0.121 0.000 0.658 177 V HN 0.561 8.751 8.190 -0.000 0.000 0.452 178 Q N -0.239 119.587 119.800 0.043 0.000 2.096 178 Q HA -0.168 4.170 4.340 -0.005 0.000 0.204 178 Q C 2.348 178.336 176.000 -0.021 0.000 0.982 178 Q CA 1.823 57.624 55.803 -0.003 0.000 0.850 178 Q CB -0.385 28.349 28.738 -0.006 0.000 0.901 178 Q HN 0.554 8.824 8.270 -0.000 0.000 0.422 179 V N 0.858 120.793 119.914 0.037 0.000 2.295 179 V HA -0.271 3.846 4.120 -0.005 0.000 0.246 179 V C 2.438 178.466 176.094 -0.111 0.000 1.049 179 V CA 1.770 64.102 62.300 0.053 0.000 1.024 179 V CB -1.109 30.823 31.823 0.183 0.000 0.648 179 V HN 0.364 8.554 8.190 -0.000 0.000 0.447 180 A N -0.384 122.312 122.820 -0.206 0.000 1.883 180 A HA -0.221 4.096 4.320 -0.005 0.000 0.217 180 A C 2.208 179.305 177.584 -0.812 0.000 1.186 180 A CA 1.778 53.202 52.037 -1.022 0.000 0.624 180 A CB -0.443 18.086 19.000 -0.785 0.000 0.822 180 A HN 0.559 8.709 8.150 -0.000 0.000 0.444 181 E N 0.031 120.008 120.200 -0.373 0.000 2.077 181 E HA -0.198 4.149 4.350 -0.005 0.000 0.193 181 E C 1.874 178.353 176.600 -0.203 0.000 0.989 181 E CA 1.408 57.662 56.400 -0.244 0.000 0.800 181 E CB -0.395 29.227 29.700 -0.130 0.000 0.746 181 E HN 0.774 9.134 8.360 -0.000 0.000 0.452 182 E N 0.420 120.520 120.200 -0.167 0.000 2.204 182 E HA -0.129 4.218 4.350 -0.005 0.000 0.195 182 E C 1.028 177.567 176.600 -0.100 0.000 0.990 182 E CA 0.749 57.088 56.400 -0.102 0.000 0.821 182 E CB -0.133 29.532 29.700 -0.059 0.000 0.750 182 E HN 0.209 8.569 8.360 -0.000 0.000 0.477 183 N N -1.191 117.396 118.700 -0.188 0.000 2.203 183 N HA 0.116 4.854 4.740 -0.005 0.000 0.207 183 N C 0.429 175.908 175.510 -0.052 0.000 1.130 183 N CA 0.437 53.435 53.050 -0.086 0.000 0.861 183 N CB 1.645 40.145 38.487 0.021 0.000 1.005 183 N HN 0.171 8.551 8.380 -0.000 0.000 0.507 184 G N 0.919 109.627 108.800 -0.154 0.000 2.157 184 G HA2 -0.269 3.689 3.960 -0.005 0.000 0.248 184 G HA3 -0.269 3.689 3.960 -0.005 0.000 0.248 184 G C 0.235 175.148 174.900 0.022 0.000 0.979 184 G CA 0.378 45.452 45.100 -0.043 0.000 0.650 184 G HN 0.463 8.753 8.290 -0.000 0.000 0.529 185 F N -0.859 119.048 119.950 -0.073 0.000 2.805 185 F HA 0.609 5.133 4.527 -0.005 0.000 0.317 185 F C 1.392 177.105 175.800 -0.146 0.000 1.146 185 F CA -0.177 57.760 58.000 -0.104 0.000 1.265 185 F CB -0.092 38.850 39.000 -0.097 0.000 0.992 185 F HN 0.074 8.374 8.300 -0.000 0.000 0.511 186 G N 1.936 110.579 108.800 -0.262 0.000 2.448 186 G HA2 -0.322 3.635 3.960 -0.005 0.000 0.219 186 G HA3 -0.322 3.635 3.960 -0.005 0.000 0.219 186 G C 1.585 176.395 174.900 -0.149 0.000 1.127 186 G CA 1.021 45.987 45.100 -0.223 0.000 0.766 186 G HN 0.563 8.853 8.290 -0.000 0.000 0.552 187 N N 0.918 119.556 118.700 -0.103 0.000 2.364 187 N HA -0.067 4.670 4.740 -0.005 0.000 0.183 187 N C 1.939 177.368 175.510 -0.136 0.000 1.022 187 N CA 0.732 53.720 53.050 -0.103 0.000 0.883 187 N CB -0.383 38.074 38.487 -0.050 0.000 0.965 187 N HN 0.382 8.762 8.380 -0.000 0.000 0.438 188 L N 0.705 121.870 121.223 -0.097 0.000 2.492 188 L HA 0.180 4.518 4.340 -0.005 0.000 0.223 188 L C 0.259 177.057 176.870 -0.120 0.000 1.132 188 L CA 0.009 54.772 54.840 -0.127 0.000 0.850 188 L CB 0.259 42.205 42.059 -0.189 0.000 0.966 188 L HN -0.064 8.166 8.230 -0.000 0.000 0.454 189 V N 0.405 120.223 119.914 -0.160 0.000 2.370 189 V HA 0.308 4.425 4.120 -0.005 0.000 0.279 189 V C -0.146 175.796 176.094 -0.255 0.000 1.029 189 V CA -0.599 61.673 62.300 -0.046 0.000 0.870 189 V CB 1.069 32.897 31.823 0.008 0.000 0.984 189 V HN 0.145 8.335 8.190 -0.000 0.000 0.451 190 H N 3.336 122.503 119.070 0.163 0.000 2.797 190 H HA 0.616 5.169 4.556 -0.004 0.000 0.362 190 H C -0.991 174.431 175.328 0.156 0.000 1.183 190 H CA -0.827 55.298 56.048 0.128 0.000 1.197 190 H CB 2.373 32.192 29.762 0.094 0.000 1.835 190 H HN 0.569 8.850 8.280 -0.000 0.000 0.567 191 Q N 0.156 120.106 119.800 0.249 0.000 2.365 191 Q HA 0.624 4.962 4.340 -0.005 0.000 0.269 191 Q C -0.428 175.649 176.000 0.128 0.000 1.061 191 Q CA -1.084 54.822 55.803 0.171 0.000 0.816 191 Q CB 3.310 32.130 28.738 0.136 0.000 1.325 191 Q HN 0.870 9.140 8.270 -0.000 0.000 0.446 192 G N -0.002 108.847 108.800 0.082 0.000 2.600 192 G HA2 0.472 4.430 3.960 -0.005 0.000 0.293 192 G HA3 0.472 4.430 3.960 -0.005 0.000 0.293 192 G C -1.546 173.373 174.900 0.032 0.000 1.408 192 G CA -0.531 44.605 45.100 0.059 0.000 0.782 192 G HN 0.339 8.629 8.290 -0.000 0.000 0.482 193 V N 0.637 120.580 119.914 0.048 0.000 2.439 193 V HA 0.449 4.566 4.120 -0.005 0.000 0.282 193 V C -0.740 175.425 176.094 0.118 0.000 1.039 193 V CA -0.528 61.812 62.300 0.068 0.000 0.913 193 V CB 1.045 32.908 31.823 0.067 0.000 0.983 193 V HN 0.658 8.848 8.190 -0.000 0.000 0.460 194 Y N 4.875 125.180 120.300 0.008 0.000 2.341 194 Y HA 0.677 5.225 4.550 -0.004 0.000 0.337 194 Y C -0.390 175.562 175.900 0.088 0.000 1.014 194 Y CA -0.707 57.413 58.100 0.032 0.000 1.111 194 Y CB 1.795 40.252 38.460 -0.004 0.000 1.194 194 Y HN 0.453 8.733 8.280 -0.000 0.000 0.462 195 V N 8.653 128.435 119.914 -0.220 0.000 2.513 195 V HA 0.440 4.558 4.120 -0.005 0.000 0.299 195 V C -0.711 175.218 176.094 -0.274 0.000 1.035 195 V CA -0.952 61.294 62.300 -0.089 0.000 0.889 195 V CB 1.524 33.323 31.823 -0.040 0.000 0.988 195 V HN 0.963 9.153 8.190 -0.000 0.000 0.440 196 M N 6.324 125.947 119.600 0.039 0.000 2.108 196 M HA 0.431 4.908 4.480 -0.005 0.000 0.354 196 M C -0.391 175.953 176.300 0.072 0.000 1.229 196 M CA -0.262 55.103 55.300 0.110 0.000 1.081 196 M CB 0.491 33.276 32.600 0.308 0.000 1.606 196 M HN 0.830 9.120 8.290 -0.000 0.000 0.467 197 N N 3.835 122.549 118.700 0.023 0.000 2.426 197 N HA 0.313 5.050 4.740 -0.005 0.000 0.257 197 N C 0.969 176.520 175.510 0.068 0.000 1.002 197 N CA 0.124 53.190 53.050 0.027 0.000 0.942 197 N CB 1.447 39.925 38.487 -0.014 0.000 1.112 197 N HN 0.799 9.180 8.380 -0.000 0.000 0.499 198 G N 2.585 111.434 108.800 0.081 0.000 2.503 198 G HA2 0.073 4.030 3.960 -0.005 0.000 0.221 198 G HA3 0.073 4.030 3.960 -0.005 0.000 0.221 198 G C 0.839 175.816 174.900 0.128 0.000 1.131 198 G CA 0.742 45.910 45.100 0.114 0.000 0.756 198 G HN 1.189 9.479 8.290 -0.000 0.000 0.572 199 G N -0.331 108.489 108.800 0.032 0.000 2.725 199 G HA2 -0.061 3.896 3.960 -0.005 0.000 0.220 199 G HA3 -0.061 3.896 3.960 -0.005 0.000 0.220 199 G C -1.124 173.741 174.900 -0.058 0.000 1.357 199 G CA 0.156 45.212 45.100 -0.073 0.000 0.866 199 G HN 0.451 8.741 8.290 -0.000 0.000 0.548 200 P HA 0.277 4.697 4.420 -0.000 0.000 0.261 200 P C 0.662 177.686 177.300 -0.459 0.000 1.268 200 P CA 0.117 62.931 63.100 -0.478 0.000 0.833 200 P CB -0.033 31.334 31.700 -0.554 0.000 1.231 201 C N 0.908 120.044 119.300 -0.273 0.000 2.642 201 C HA 0.115 4.572 4.460 -0.005 0.000 0.420 201 C C 1.143 175.984 174.990 -0.248 0.000 1.349 201 C CA -0.238 58.650 59.018 -0.216 0.000 1.821 201 C CB -1.458 26.225 27.740 -0.094 0.000 2.637 201 C HN 0.239 8.469 8.230 -0.000 0.000 0.605 202 Y N 0.881 121.125 120.300 -0.093 0.000 2.459 202 Y HA 0.161 4.709 4.550 -0.004 0.000 0.349 202 Y C 1.002 176.870 175.900 -0.053 0.000 1.266 202 Y CA 0.153 58.211 58.100 -0.071 0.000 1.483 202 Y CB 0.470 38.896 38.460 -0.056 0.000 1.362 202 Y HN 0.591 8.871 8.280 -0.000 0.000 0.628 203 E N 0.308 120.599 120.200 0.152 0.000 2.313 203 E HA 0.162 4.509 4.350 -0.005 0.000 0.276 203 E C -0.114 176.514 176.600 0.047 0.000 1.031 203 E CA -0.468 55.969 56.400 0.061 0.000 0.857 203 E CB 0.534 30.258 29.700 0.039 0.000 1.040 203 E HN 0.508 8.868 8.360 -0.000 0.000 0.408 204 T N -0.013 114.555 114.554 0.024 0.000 2.813 204 T HA 0.131 4.479 4.350 -0.005 0.000 0.297 204 T C -1.753 172.950 174.700 0.006 0.000 1.036 204 T CA -1.500 60.609 62.100 0.014 0.000 1.044 204 T CB 0.765 69.637 68.868 0.007 0.000 0.993 204 T HN 0.137 8.377 8.240 -0.000 0.000 0.535 205 P HA -0.032 4.388 4.420 -0.000 0.000 0.216 205 P C 1.627 178.924 177.300 -0.005 0.000 1.150 205 P CA 1.504 64.601 63.100 -0.006 0.000 0.837 205 P CB -0.296 31.399 31.700 -0.008 0.000 0.786 206 A N -0.244 122.575 122.820 -0.003 0.000 1.930 206 A HA -0.212 4.105 4.320 -0.005 0.000 0.217 206 A C 2.142 179.725 177.584 -0.002 0.000 1.175 206 A CA 1.569 53.604 52.037 -0.002 0.000 0.627 206 A CB -1.135 17.864 19.000 -0.002 0.000 0.815 206 A HN 0.161 8.311 8.150 -0.000 0.000 0.443 207 E N -0.811 119.389 120.200 -0.000 0.000 2.077 207 E HA -0.176 4.171 4.350 -0.005 0.000 0.193 207 E C 2.061 178.659 176.600 -0.003 0.000 0.989 207 E CA 1.360 57.760 56.400 -0.000 0.000 0.800 207 E CB -0.342 29.359 29.700 0.002 0.000 0.746 207 E HN 0.676 9.036 8.360 -0.000 0.000 0.452 208 C N 0.350 119.648 119.300 -0.004 0.000 2.429 208 C HA -0.110 4.347 4.460 -0.005 0.000 0.277 208 C C 2.843 177.828 174.990 -0.009 0.000 1.262 208 C CA 1.110 60.123 59.018 -0.008 0.000 1.733 208 C CB -0.930 26.805 27.740 -0.010 0.000 2.010 208 C HN 0.514 8.744 8.230 -0.000 0.000 0.483 209 T N 1.010 115.559 114.554 -0.007 0.000 2.708 209 T HA -0.256 4.091 4.350 -0.005 0.000 0.266 209 T C 1.813 176.510 174.700 -0.003 0.000 1.037 209 T CA 1.856 63.952 62.100 -0.006 0.000 1.146 209 T CB -0.388 68.477 68.868 -0.005 0.000 0.865 209 T HN 0.635 8.875 8.240 -0.000 0.000 0.435 210 M N 0.598 120.197 119.600 -0.002 0.000 2.080 210 M HA -0.084 4.393 4.480 -0.005 0.000 0.260 210 M C 1.968 178.269 176.300 0.002 0.000 1.068 210 M CA 1.753 57.053 55.300 0.001 0.000 1.109 210 M CB -0.319 32.282 32.600 0.002 0.000 1.342 210 M HN 0.213 8.503 8.290 -0.000 0.000 0.405 211 L N 0.067 121.289 121.223 -0.002 0.000 2.093 211 L HA -0.191 4.146 4.340 -0.005 0.000 0.208 211 L C 2.504 179.372 176.870 -0.002 0.000 1.085 211 L CA 0.559 55.397 54.840 -0.003 0.000 0.755 211 L CB -0.819 41.232 42.059 -0.014 0.000 0.904 211 L HN 0.395 8.625 8.230 -0.000 0.000 0.435 212 L N 0.284 121.504 121.223 -0.006 0.000 2.046 212 L HA -0.186 4.151 4.340 -0.005 0.000 0.208 212 L C 2.101 178.971 176.870 0.001 0.000 1.077 212 L CA 1.805 56.642 54.840 -0.005 0.000 0.747 212 L CB -0.700 41.353 42.059 -0.009 0.000 0.896 212 L HN 0.251 8.481 8.230 -0.000 0.000 0.432 213 N N -0.951 117.751 118.700 0.002 0.000 2.457 213 N HA -0.061 4.677 4.740 -0.005 0.000 0.180 213 N C 1.671 177.187 175.510 0.011 0.000 1.050 213 N CA 1.061 54.114 53.050 0.006 0.000 0.906 213 N CB -0.201 38.289 38.487 0.004 0.000 0.968 213 N HN 0.456 8.836 8.380 -0.000 0.000 0.445 214 M N -0.850 118.758 119.600 0.013 0.000 2.557 214 M HA 0.065 4.543 4.480 -0.005 0.000 0.259 214 M C 0.777 177.092 176.300 0.025 0.000 1.086 214 M CA 0.720 56.032 55.300 0.020 0.000 1.096 214 M CB 0.212 32.826 32.600 0.024 0.000 1.424 214 M HN 0.244 8.534 8.290 -0.000 0.000 0.488 215 G N 0.103 108.915 108.800 0.020 0.000 2.135 215 G HA2 -0.174 3.783 3.960 -0.005 0.000 0.183 215 G HA3 -0.174 3.783 3.960 -0.005 0.000 0.183 215 G C -0.239 174.677 174.900 0.026 0.000 1.004 215 G CA -0.635 44.479 45.100 0.023 0.000 0.677 215 G HN 0.439 8.729 8.290 -0.000 0.000 0.512 216 C N 0.890 120.201 119.300 0.018 0.000 2.388 216 C HA 0.586 5.043 4.460 -0.005 0.000 0.362 216 C C 1.329 176.320 174.990 0.002 0.000 1.266 216 C CA -0.372 58.654 59.018 0.014 0.000 2.028 216 C CB 1.130 28.869 27.740 -0.002 0.000 2.440 216 C HN 0.477 8.707 8.230 -0.000 0.000 0.547 217 D N 0.500 120.904 120.400 0.008 0.000 2.323 217 D HA 0.067 4.705 4.640 -0.005 0.000 0.218 217 D C 0.490 176.784 176.300 -0.009 0.000 0.973 217 D CA 1.187 55.187 54.000 0.001 0.000 0.890 217 D CB 0.531 41.341 40.800 0.017 0.000 1.011 217 D HN 0.544 8.914 8.370 -0.000 0.000 0.499 218 V N -1.362 118.545 119.914 -0.011 0.000 3.007 218 V HA 0.692 4.810 4.120 -0.005 0.000 0.311 218 V C -0.641 175.339 176.094 -0.189 0.000 1.120 218 V CA -1.013 61.264 62.300 -0.040 0.000 0.980 218 V CB 2.604 34.459 31.823 0.054 0.000 1.033 218 V HN -0.172 8.018 8.190 -0.000 0.000 0.429 219 V N 2.307 122.095 119.914 -0.210 0.000 2.656 219 V HA 1.044 5.162 4.120 -0.005 0.000 0.307 219 V C 0.227 176.137 176.094 -0.307 0.000 1.051 219 V CA 0.801 62.900 62.300 -0.334 0.000 0.893 219 V CB 1.412 33.143 31.823 -0.153 0.000 0.999 219 V HN 1.723 9.913 8.190 -0.000 0.000 0.426 220 G N 4.402 112.920 108.800 -0.470 0.000 2.687 220 G HA2 0.504 4.461 3.960 -0.005 0.000 0.291 220 G HA3 0.504 4.461 3.960 -0.005 0.000 0.291 220 G C -0.603 174.336 174.900 0.065 0.000 1.420 220 G CA -0.602 44.459 45.100 -0.064 0.000 0.796 220 G HN 0.685 8.975 8.290 -0.000 0.000 0.485 221 M N 0.822 120.530 119.600 0.180 0.000 2.405 221 M HA 0.288 4.765 4.480 -0.005 0.000 0.292 221 M C 0.665 177.144 176.300 0.299 0.000 1.111 221 M CA -0.172 55.253 55.300 0.208 0.000 0.979 221 M CB 0.755 33.441 32.600 0.144 0.000 1.426 221 M HN 0.543 8.833 8.290 -0.000 0.000 0.509 222 S N -2.293 113.607 115.700 0.333 0.000 2.840 222 S HA 0.723 5.190 4.470 -0.005 0.000 0.307 222 S C 0.503 175.197 174.600 0.156 0.000 1.180 222 S CA 0.215 58.588 58.200 0.289 0.000 0.846 222 S CB 2.124 65.537 63.200 0.355 0.000 1.233 222 S HN 0.222 8.532 8.310 -0.000 0.000 0.548 223 T N 0.426 115.013 114.554 0.054 0.000 12.862 223 T HA -0.198 4.149 4.350 -0.005 0.000 0.413 223 T C 1.206 175.806 174.700 -0.167 0.000 1.489 223 T CA 1.237 63.283 62.100 -0.089 0.000 2.437 223 T CB -1.782 66.943 68.868 -0.240 0.000 2.763 223 T HN 0.657 8.897 8.240 -0.000 0.000 0.666 224 I N 2.324 122.751 120.570 -0.239 0.000 2.208 224 I HA -0.080 4.087 4.170 -0.005 0.000 0.245 224 I C -0.496 175.304 176.117 -0.528 0.000 1.097 224 I CA 1.854 62.862 61.300 -0.487 0.000 1.363 224 I CB -2.670 34.883 38.000 -0.744 0.000 1.051 224 I HN 0.364 8.574 8.210 -0.000 0.000 0.413 225 P HA -0.152 4.268 4.420 -0.000 0.000 0.215 225 P C 1.605 178.815 177.300 -0.151 0.000 1.153 225 P CA 1.454 64.436 63.100 -0.196 0.000 0.853 225 P CB -0.019 31.669 31.700 -0.019 0.000 0.788 226 E N -0.672 119.455 120.200 -0.123 0.000 2.077 226 E HA -0.121 4.227 4.350 -0.005 0.000 0.193 226 E C 1.988 178.525 176.600 -0.105 0.000 0.989 226 E CA 1.021 57.361 56.400 -0.099 0.000 0.800 226 E CB -0.743 28.915 29.700 -0.071 0.000 0.746 226 E HN 0.008 8.368 8.360 -0.000 0.000 0.452 227 V N 0.662 120.498 119.914 -0.130 0.000 2.343 227 V HA -0.234 3.883 4.120 -0.005 0.000 0.247 227 V C 2.261 178.287 176.094 -0.113 0.000 1.051 227 V CA 1.307 63.530 62.300 -0.128 0.000 1.036 227 V CB -0.323 31.424 31.823 -0.127 0.000 0.654 227 V HN 0.152 8.342 8.190 -0.000 0.000 0.451 228 V N -0.117 119.718 119.914 -0.131 0.000 2.343 228 V HA -0.233 3.884 4.120 -0.005 0.000 0.247 228 V C 2.301 178.386 176.094 -0.016 0.000 1.051 228 V CA 1.752 64.017 62.300 -0.059 0.000 1.036 228 V CB -0.493 31.287 31.823 -0.072 0.000 0.654 228 V HN 0.390 8.580 8.190 -0.000 0.000 0.451 229 I N 0.484 121.021 120.570 -0.055 0.000 2.315 229 I HA -0.176 3.991 4.170 -0.005 0.000 0.248 229 I C 2.677 178.797 176.117 0.004 0.000 1.117 229 I CA 1.826 63.100 61.300 -0.043 0.000 1.404 229 I CB -1.645 36.288 38.000 -0.112 0.000 1.071 229 I HN 0.307 8.517 8.210 -0.000 0.000 0.419 230 A N 0.952 123.755 122.820 -0.028 0.000 1.877 230 A HA -0.180 4.137 4.320 -0.005 0.000 0.216 230 A C 2.376 179.958 177.584 -0.003 0.000 1.186 230 A CA 1.229 53.253 52.037 -0.022 0.000 0.620 230 A CB -0.392 18.581 19.000 -0.044 0.000 0.822 230 A HN 0.218 8.368 8.150 -0.000 0.000 0.443 231 R N -0.773 119.720 120.500 -0.012 0.000 2.092 231 R HA -0.106 4.231 4.340 -0.005 0.000 0.231 231 R C 2.106 178.432 176.300 0.043 0.000 1.119 231 R CA 1.408 57.504 56.100 -0.006 0.000 0.970 231 R CB -1.245 29.035 30.300 -0.033 0.000 0.864 231 R HN 0.845 9.115 8.270 -0.000 0.000 0.440 232 H N 0.574 119.637 119.070 -0.013 0.000 2.352 232 H HA -0.134 4.419 4.556 -0.005 0.000 0.299 232 H C 1.285 176.634 175.328 0.035 0.000 1.097 232 H CA 1.986 58.040 56.048 0.011 0.000 1.311 232 H CB 0.245 30.010 29.762 0.005 0.000 1.377 232 H HN 0.335 8.615 8.280 -0.000 0.000 0.504 233 C N -0.784 118.537 119.300 0.036 0.000 2.780 233 C HA 0.579 5.036 4.460 -0.005 0.000 0.287 233 C C 1.568 176.567 174.990 0.015 0.000 1.288 233 C CA 0.242 59.279 59.018 0.033 0.000 1.713 233 C CB -0.571 27.266 27.740 0.161 0.000 1.955 233 C HN 0.737 8.967 8.230 -0.000 0.000 0.613 234 G N 1.424 110.220 108.800 -0.008 0.000 2.137 234 G HA2 -0.207 3.751 3.960 -0.005 0.000 0.237 234 G HA3 -0.207 3.751 3.960 -0.005 0.000 0.237 234 G C -0.254 174.644 174.900 -0.004 0.000 1.002 234 G CA 0.217 45.309 45.100 -0.012 0.000 0.702 234 G HN 0.718 9.008 8.290 -0.000 0.000 0.515 235 I N 1.307 121.876 120.570 -0.002 0.000 2.371 235 I HA 0.218 4.385 4.170 -0.005 0.000 0.290 235 I C 0.722 176.828 176.117 -0.018 0.000 1.028 235 I CA -0.802 60.496 61.300 -0.004 0.000 1.345 235 I CB 0.999 38.999 38.000 0.000 0.000 1.407 235 I HN 0.075 8.285 8.210 -0.000 0.000 0.501 236 Q N 5.195 124.986 119.800 -0.015 0.000 2.373 236 Q HA 0.329 4.666 4.340 -0.005 0.000 0.255 236 Q C -0.596 175.398 176.000 -0.010 0.000 0.980 236 Q CA -0.176 55.616 55.803 -0.018 0.000 0.882 236 Q CB 1.889 30.620 28.738 -0.010 0.000 1.249 236 Q HN 0.378 8.648 8.270 -0.000 0.000 0.438 237 V N 3.341 123.246 119.914 -0.015 0.000 2.540 237 V HA 0.470 4.587 4.120 -0.005 0.000 0.302 237 V C -0.882 175.290 176.094 0.131 0.000 1.035 237 V CA -0.792 61.512 62.300 0.008 0.000 0.873 237 V CB 1.474 33.230 31.823 -0.112 0.000 0.992 237 V HN 0.694 8.884 8.190 -0.000 0.000 0.428 238 F N 4.149 124.087 119.950 -0.019 0.000 2.493 238 F HA 0.846 5.370 4.527 -0.004 0.000 0.329 238 F C -0.063 175.743 175.800 0.011 0.000 1.126 238 F CA -0.343 57.642 58.000 -0.024 0.000 0.937 238 F CB 1.391 40.284 39.000 -0.179 0.000 1.146 238 F HN 0.604 8.904 8.300 -0.000 0.000 0.442 239 A N 5.354 127.800 122.820 -0.624 0.000 2.422 239 A HA 0.808 5.125 4.320 -0.005 0.000 0.302 239 A C -2.024 175.200 177.584 -0.600 0.000 1.041 239 A CA -0.673 51.096 52.037 -0.447 0.000 0.708 239 A CB 1.717 20.660 19.000 -0.094 0.000 1.257 239 A HN 0.613 8.763 8.150 -0.000 0.000 0.414 240 V N 1.384 121.088 119.914 -0.351 0.000 2.638 240 V HA 0.514 4.631 4.120 -0.005 0.000 0.306 240 V C 0.106 176.225 176.094 0.042 0.000 1.052 240 V CA -0.564 61.661 62.300 -0.124 0.000 0.885 240 V CB 2.060 33.902 31.823 0.031 0.000 0.999 240 V HN 0.872 9.062 8.190 -0.000 0.000 0.424 241 S N 4.777 120.551 115.700 0.124 0.000 2.499 241 S HA 0.530 4.998 4.470 -0.005 0.000 0.279 241 S C -0.368 174.399 174.600 0.278 0.000 1.219 241 S CA -0.396 57.924 58.200 0.199 0.000 1.062 241 S CB 0.949 64.301 63.200 0.254 0.000 0.978 241 S HN 0.595 8.905 8.310 -0.000 0.000 0.489 242 L N 4.751 126.133 121.223 0.265 0.000 2.290 242 L HA 0.374 4.712 4.340 -0.005 0.000 0.284 242 L C -0.649 176.330 176.870 0.182 0.000 1.078 242 L CA -0.498 54.515 54.840 0.287 0.000 0.815 242 L CB 1.030 43.243 42.059 0.257 0.000 1.162 242 L HN 0.374 8.604 8.230 -0.000 0.000 0.435 243 V N 4.874 124.868 119.914 0.134 0.000 2.364 243 V HA 0.015 4.132 4.120 -0.005 0.000 0.252 243 V C 1.402 177.522 176.094 0.043 0.000 1.075 243 V CA 0.344 62.688 62.300 0.073 0.000 1.033 243 V CB 0.434 32.276 31.823 0.033 0.000 1.116 243 V HN 0.962 9.152 8.190 -0.000 0.000 0.488 244 T N 0.725 115.310 114.554 0.052 0.000 3.060 244 T HA 0.159 4.506 4.350 -0.005 0.000 0.249 244 T C 0.441 175.138 174.700 -0.006 0.000 1.079 244 T CA 0.149 62.267 62.100 0.031 0.000 1.013 244 T CB -0.241 68.664 68.868 0.061 0.000 0.975 244 T HN 0.733 8.973 8.240 -0.000 0.000 0.518 245 N N -0.048 118.643 118.700 -0.014 0.000 2.405 245 N HA 0.442 5.180 4.740 -0.005 0.000 0.274 245 N C -1.608 173.874 175.510 -0.046 0.000 1.170 245 N CA -1.093 51.923 53.050 -0.056 0.000 0.848 245 N CB 0.964 39.379 38.487 -0.119 0.000 1.629 245 N HN -0.125 8.255 8.380 -0.000 0.000 0.481 246 I N 1.581 122.117 120.570 -0.056 0.000 2.304 246 I HA 0.257 4.424 4.170 -0.005 0.000 0.291 246 I C 0.241 176.325 176.117 -0.054 0.000 1.018 246 I CA -0.411 60.860 61.300 -0.049 0.000 1.260 246 I CB 0.536 38.508 38.000 -0.047 0.000 1.390 246 I HN 0.618 8.828 8.210 -0.000 0.000 0.475 247 S N 5.265 120.938 115.700 -0.044 0.000 2.552 247 S HA 0.177 4.645 4.470 -0.005 0.000 0.289 247 S C 0.293 174.869 174.600 -0.040 0.000 1.304 247 S CA -0.470 57.705 58.200 -0.041 0.000 1.063 247 S CB 0.774 63.957 63.200 -0.028 0.000 0.848 247 S HN 0.349 8.659 8.310 -0.000 0.000 0.499 248 V N 5.476 125.366 119.914 -0.041 0.000 2.406 248 V HA 0.178 4.295 4.120 -0.005 0.000 0.272 248 V C 0.889 176.969 176.094 -0.024 0.000 1.043 248 V CA -0.134 62.145 62.300 -0.035 0.000 0.915 248 V CB 0.886 32.686 31.823 -0.039 0.000 0.988 248 V HN 0.836 9.026 8.190 -0.000 0.000 0.466 249 L N 2.483 123.694 121.223 -0.021 0.000 2.590 249 L HA 0.348 4.686 4.340 -0.005 0.000 0.227 249 L C 0.016 176.878 176.870 -0.013 0.000 1.099 249 L CA 0.380 55.211 54.840 -0.016 0.000 0.872 249 L CB 0.216 42.265 42.059 -0.015 0.000 1.088 249 L HN 0.581 8.811 8.230 -0.000 0.000 0.479 250 D N -0.412 119.979 120.400 -0.015 0.000 2.362 250 D HA 0.199 4.836 4.640 -0.005 0.000 0.247 250 D C 0.923 177.216 176.300 -0.013 0.000 1.050 250 D CA -0.290 53.703 54.000 -0.012 0.000 0.839 250 D CB 3.190 43.983 40.800 -0.013 0.000 1.283 250 D HN -0.308 8.062 8.370 -0.000 0.000 0.477 251 V N 0.999 120.907 119.914 -0.010 0.000 2.515 251 V HA -0.150 3.967 4.120 -0.005 0.000 0.250 251 V C 1.118 177.206 176.094 -0.011 0.000 1.058 251 V CA 1.147 63.441 62.300 -0.010 0.000 1.064 251 V CB -0.331 31.488 31.823 -0.007 0.000 0.675 251 V HN 0.459 8.649 8.190 -0.000 0.000 0.461 252 E N 1.732 121.926 120.200 -0.010 0.000 2.222 252 E HA 0.352 4.700 4.350 -0.005 0.000 0.312 252 E C -0.303 176.290 176.600 -0.013 0.000 1.263 252 E CA 0.189 56.583 56.400 -0.010 0.000 1.356 252 E CB 0.167 29.861 29.700 -0.009 0.000 1.180 252 E HN 0.432 8.792 8.360 -0.000 0.000 0.494 253 S N -0.421 115.271 115.700 -0.014 0.000 2.586 253 S HA 0.202 4.670 4.470 -0.005 0.000 0.296 253 S C 0.348 174.936 174.600 -0.019 0.000 1.120 253 S CA -0.242 57.948 58.200 -0.017 0.000 0.927 253 S CB 1.237 64.425 63.200 -0.020 0.000 1.114 253 S HN 0.495 8.805 8.310 -0.000 0.000 0.453 254 D N 0.978 121.366 120.400 -0.020 0.000 2.355 254 D HA 0.500 5.137 4.640 -0.005 0.000 0.218 254 D C 0.958 177.241 176.300 -0.027 0.000 1.004 254 D CA 1.019 55.006 54.000 -0.021 0.000 0.880 254 D CB -0.423 40.366 40.800 -0.018 0.000 0.911 254 D HN 0.834 9.204 8.370 -0.000 0.000 0.528 255 L N 0.574 121.777 121.223 -0.032 0.000 2.439 255 L HA 0.723 5.061 4.340 -0.005 0.000 0.269 255 L C 0.535 177.374 176.870 -0.053 0.000 1.179 255 L CA -0.223 54.591 54.840 -0.043 0.000 0.828 255 L CB 0.201 42.234 42.059 -0.044 0.000 1.106 255 L HN 0.640 8.870 8.230 -0.000 0.000 0.467 256 K N 1.652 122.009 120.400 -0.071 0.000 2.597 256 K HA 0.767 5.085 4.320 -0.005 0.000 0.282 256 K C -3.204 173.300 176.600 -0.160 0.000 0.975 256 K CA -1.449 54.779 56.287 -0.097 0.000 0.867 256 K CB 1.037 33.497 32.500 -0.068 0.000 1.465 256 K HN 0.470 8.720 8.250 -0.000 0.000 0.417 257 P HA 0.209 4.629 4.420 -0.000 0.000 0.281 257 P C -0.690 176.386 177.300 -0.374 0.000 1.252 257 P CA -0.460 62.343 63.100 -0.494 0.000 0.778 257 P CB 0.459 31.499 31.700 -1.099 0.000 0.895 258 N N 1.449 120.022 118.700 -0.212 0.000 2.143 258 N HA -0.029 4.708 4.740 -0.005 0.000 0.222 258 N C 0.702 176.288 175.510 0.126 0.000 1.264 258 N CA -0.181 52.855 53.050 -0.023 0.000 0.897 258 N CB -0.129 38.344 38.487 -0.023 0.000 1.092 258 N HN 0.513 8.893 8.380 -0.000 0.000 0.516 259 H N 0.394 119.468 119.070 0.007 0.000 4.807 259 H HA -0.251 4.302 4.556 -0.005 0.000 0.103 259 H C 1.246 176.600 175.328 0.044 0.000 0.622 259 H CA 2.406 58.517 56.048 0.105 0.000 1.203 259 H CB -1.151 28.713 29.762 0.171 0.000 0.637 259 H HN 0.356 8.636 8.280 -0.000 0.000 0.601 260 E N 0.661 120.827 120.200 -0.057 0.000 2.112 260 E HA -0.006 4.341 4.350 -0.005 0.000 0.190 260 E C 2.010 178.546 176.600 -0.107 0.000 0.979 260 E CA 1.557 57.891 56.400 -0.110 0.000 0.814 260 E CB -0.039 29.638 29.700 -0.038 0.000 0.762 260 E HN 0.759 9.119 8.360 -0.000 0.000 0.460 261 E N -0.508 119.646 120.200 -0.076 0.000 2.208 261 E HA -0.103 4.245 4.350 -0.005 0.000 0.193 261 E C 1.997 178.554 176.600 -0.073 0.000 0.988 261 E CA 0.841 57.200 56.400 -0.069 0.000 0.828 261 E CB 0.190 29.853 29.700 -0.062 0.000 0.763 261 E HN 0.125 8.485 8.360 -0.000 0.000 0.478 262 V N 1.342 121.207 119.914 -0.082 0.000 2.343 262 V HA -0.249 3.868 4.120 -0.005 0.000 0.247 262 V C 2.236 178.274 176.094 -0.092 0.000 1.051 262 V CA 1.445 63.713 62.300 -0.054 0.000 1.036 262 V CB -0.312 31.536 31.823 0.041 0.000 0.654 262 V HN 0.271 8.461 8.190 -0.000 0.000 0.451 263 L N -0.140 120.964 121.223 -0.199 0.000 2.141 263 L HA -0.095 4.243 4.340 -0.005 0.000 0.209 263 L C 2.625 179.442 176.870 -0.088 0.000 1.094 263 L CA 1.296 56.036 54.840 -0.167 0.000 0.763 263 L CB -0.653 41.264 42.059 -0.237 0.000 0.908 263 L HN 0.348 8.578 8.230 -0.000 0.000 0.437 264 A N -0.610 122.163 122.820 -0.079 0.000 1.930 264 A HA -0.161 4.156 4.320 -0.005 0.000 0.217 264 A C 2.357 179.920 177.584 -0.036 0.000 1.175 264 A CA 2.096 54.102 52.037 -0.052 0.000 0.627 264 A CB -0.754 18.216 19.000 -0.050 0.000 0.815 264 A HN 0.340 8.490 8.150 -0.000 0.000 0.443 265 T N -0.210 114.324 114.554 -0.033 0.000 2.777 265 T HA -0.027 4.320 4.350 -0.005 0.000 0.266 265 T C 1.978 176.681 174.700 0.005 0.000 1.040 265 T CA 1.391 63.481 62.100 -0.017 0.000 1.141 265 T CB -0.587 68.273 68.868 -0.013 0.000 0.868 265 T HN 0.571 8.811 8.240 -0.000 0.000 0.444 266 G N 1.208 110.012 108.800 0.008 0.000 2.446 266 G HA2 -0.089 3.868 3.960 -0.005 0.000 0.217 266 G HA3 -0.089 3.868 3.960 -0.005 0.000 0.217 266 G C 1.831 176.738 174.900 0.011 0.000 1.168 266 G CA 0.917 46.031 45.100 0.023 0.000 0.771 266 G HN 0.576 8.866 8.290 -0.000 0.000 0.551 267 A N 0.068 122.883 122.820 -0.009 0.000 1.972 267 A HA -0.035 4.282 4.320 -0.005 0.000 0.219 267 A C 2.299 179.878 177.584 -0.008 0.000 1.169 267 A CA 1.814 53.843 52.037 -0.013 0.000 0.635 267 A CB -0.298 18.688 19.000 -0.024 0.000 0.810 267 A HN 0.467 8.617 8.150 -0.000 0.000 0.446 268 Q N -1.535 118.260 119.800 -0.008 0.000 2.331 268 Q HA 0.072 4.409 4.340 -0.005 0.000 0.203 268 Q C 1.537 177.537 176.000 -0.000 0.000 0.944 268 Q CA 0.354 56.151 55.803 -0.010 0.000 0.892 268 Q CB 0.172 28.897 28.738 -0.021 0.000 0.983 268 Q HN 0.320 8.590 8.270 -0.000 0.000 0.482 269 R N -0.556 119.960 120.500 0.026 0.000 2.362 269 R HA 0.255 4.592 4.340 -0.005 0.000 0.227 269 R C 1.408 177.769 176.300 0.101 0.000 0.905 269 R CA 0.341 56.487 56.100 0.077 0.000 1.067 269 R CB 0.306 30.685 30.300 0.130 0.000 1.078 269 R HN 0.147 8.417 8.270 -0.000 0.000 0.516 270 A N 0.961 123.805 122.820 0.041 0.000 1.902 270 A HA -0.189 4.128 4.320 -0.005 0.000 0.217 270 A C 2.051 179.635 177.584 0.000 0.000 1.181 270 A CA 1.479 53.521 52.037 0.008 0.000 0.623 270 A CB -0.255 18.739 19.000 -0.010 0.000 0.818 270 A HN 0.348 8.498 8.150 -0.000 0.000 0.443 271 E N -0.765 119.437 120.200 0.005 0.000 2.051 271 E HA -0.207 4.140 4.350 -0.005 0.000 0.192 271 E C 1.898 178.498 176.600 -0.001 0.000 0.991 271 E CA 1.404 57.805 56.400 0.000 0.000 0.799 271 E CB -0.179 29.520 29.700 -0.003 0.000 0.748 271 E HN 0.439 8.799 8.360 -0.000 0.000 0.449 272 L N 0.537 121.758 121.223 -0.004 0.000 2.056 272 L HA -0.073 4.264 4.340 -0.005 0.000 0.207 272 L C 2.342 179.197 176.870 -0.025 0.000 1.078 272 L CA 1.679 56.480 54.840 -0.065 0.000 0.749 272 L CB -0.399 41.606 42.059 -0.090 0.000 0.901 272 L HN 0.260 8.490 8.230 -0.000 0.000 0.433 273 M N -1.176 118.449 119.600 0.041 0.000 2.175 273 M HA -0.241 4.236 4.480 -0.005 0.000 0.264 273 M C 2.299 178.592 176.300 -0.011 0.000 1.063 273 M CA 1.843 57.120 55.300 -0.039 0.000 1.119 273 M CB -0.122 32.386 32.600 -0.154 0.000 1.377 273 M HN 0.519 8.809 8.290 -0.000 0.000 0.415 274 Q N -0.790 118.993 119.800 -0.029 0.000 2.061 274 Q HA -0.226 4.111 4.340 -0.005 0.000 0.204 274 Q C 1.984 178.054 176.000 0.118 0.000 0.984 274 Q CA 2.337 58.144 55.803 0.006 0.000 0.846 274 Q CB -0.308 28.428 28.738 -0.003 0.000 0.902 274 Q HN 0.516 8.786 8.270 -0.000 0.000 0.421 275 S N -0.507 115.266 115.700 0.120 0.000 2.368 275 S HA -0.176 4.291 4.470 -0.005 0.000 0.225 275 S C 1.439 176.229 174.600 0.318 0.000 1.030 275 S CA 1.305 59.606 58.200 0.167 0.000 0.999 275 S CB -0.621 62.646 63.200 0.113 0.000 0.844 275 S HN 0.692 9.002 8.310 -0.000 0.000 0.459 276 W N 1.322 122.708 121.300 0.144 0.000 2.354 276 W HA -0.042 4.616 4.660 -0.005 0.000 0.315 276 W C 1.699 178.381 176.519 0.272 0.000 1.206 276 W CA 1.016 58.536 57.345 0.292 0.000 1.290 276 W CB -1.238 28.384 29.460 0.271 0.000 1.152 276 W HN 0.362 8.542 8.180 -0.000 0.000 0.489 277 F N 1.018 120.988 119.950 0.034 0.000 2.134 277 F HA -0.155 4.369 4.527 -0.005 0.000 0.299 277 F C 2.398 178.157 175.800 -0.068 0.000 1.097 277 F CA 2.070 59.988 58.000 -0.137 0.000 1.264 277 F CB -1.125 37.820 39.000 -0.092 0.000 1.001 277 F HN -0.028 8.272 8.300 -0.000 0.000 0.479 278 E N -0.092 120.223 120.200 0.192 0.000 2.077 278 E HA -0.222 4.125 4.350 -0.005 0.000 0.193 278 E C 2.063 178.705 176.600 0.071 0.000 0.989 278 E CA 1.301 57.765 56.400 0.107 0.000 0.800 278 E CB -0.162 29.602 29.700 0.107 0.000 0.746 278 E HN 0.393 8.753 8.360 -0.000 0.000 0.452 279 K N 0.217 120.685 120.400 0.114 0.000 2.228 279 K HA -0.018 4.299 4.320 -0.005 0.000 0.202 279 K C 2.058 178.668 176.600 0.015 0.000 1.051 279 K CA 0.536 56.882 56.287 0.098 0.000 0.960 279 K CB 0.090 32.705 32.500 0.190 0.000 0.743 279 K HN 0.104 8.354 8.250 -0.000 0.000 0.458 280 I N 0.996 121.520 120.570 -0.076 0.000 2.202 280 I HA -0.274 3.893 4.170 -0.005 0.000 0.242 280 I C 2.131 178.125 176.117 -0.204 0.000 1.091 280 I CA 1.279 62.433 61.300 -0.243 0.000 1.368 280 I CB -0.167 37.481 38.000 -0.586 0.000 1.058 280 I HN 0.083 8.293 8.210 -0.000 0.000 0.410 281 I N 0.569 121.041 120.570 -0.164 0.000 2.264 281 I HA -0.319 3.848 4.170 -0.005 0.000 0.248 281 I C 2.569 178.646 176.117 -0.067 0.000 1.111 281 I CA 1.447 62.679 61.300 -0.113 0.000 1.382 281 I CB -0.381 37.583 38.000 -0.060 0.000 1.060 281 I HN 0.305 8.515 8.210 -0.000 0.000 0.418 282 E N 1.400 121.576 120.200 -0.040 0.000 2.118 282 E HA -0.239 4.108 4.350 -0.005 0.000 0.195 282 E C 1.601 178.181 176.600 -0.032 0.000 0.992 282 E CA 1.300 57.688 56.400 -0.020 0.000 0.804 282 E CB 0.162 29.863 29.700 0.002 0.000 0.741 282 E HN 0.424 8.784 8.360 -0.000 0.000 0.458 283 K N -0.015 120.354 120.400 -0.052 0.000 2.372 283 K HA 0.185 4.502 4.320 -0.005 0.000 0.200 283 K C 0.162 176.718 176.600 -0.074 0.000 1.022 283 K CA -0.259 55.996 56.287 -0.054 0.000 1.125 283 K CB 0.508 32.978 32.500 -0.051 0.000 0.855 283 K HN 0.152 8.402 8.250 -0.000 0.000 0.524 284 L N 2.958 124.126 121.223 -0.091 0.000 2.483 284 L HA 0.037 4.374 4.340 -0.005 0.000 0.276 284 L C -1.903 174.929 176.870 -0.063 0.000 1.213 284 L CA -1.409 53.373 54.840 -0.098 0.000 0.843 284 L CB -0.114 41.881 42.059 -0.107 0.000 1.107 284 L HN -0.043 8.187 8.230 -0.000 0.000 0.487 285 P HA 0.321 4.741 4.420 -0.000 0.000 0.302 285 P C -0.320 176.961 177.300 -0.031 0.000 1.307 285 P CA -0.450 62.626 63.100 -0.039 0.000 0.754 285 P CB 0.796 32.474 31.700 -0.037 0.000 1.298 286 K N -2.799 117.588 120.400 -0.022 0.000 6.290 286 K HA -0.130 4.187 4.320 -0.005 0.000 0.468 286 K C -0.212 176.380 176.600 -0.012 0.000 0.353 286 K CA 1.727 58.005 56.287 -0.016 0.000 1.965 286 K CB -1.978 30.513 32.500 -0.015 0.000 0.605 286 K HN 0.505 8.755 8.250 -0.000 0.000 0.718 287 D N 0.000 120.392 120.400 -0.014 0.000 6.856 287 D HA 0.000 4.637 4.640 -0.005 0.000 0.175 287 D CA 0.000 53.994 54.000 -0.010 0.000 0.868 287 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 287 D HN 0.000 8.370 8.370 -0.000 0.000 0.683