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 2zn7_1_A DATA FIRST_RESID 2 DATA SEQUENCE EMEKEFEQID KSGSWAAIYQ DIRHEASDFP CRVAKLPKNK NRNRYRDVSP DATA SEQUENCE FDHSRIKLHQ EDNDYINASL IKMEEAQRSY ILTQGPLPNT CGHFWEMVWE DATA SEQUENCE QKSRGVVMLN RVMEKGSLKC AQYWPQKEEK EMIFEDTNLK LTLISEDIKS DATA SEQUENCE YYTVRQLELE NLTTQETREI LHFHYTTWPD FGVPESPASF LNFLFKVRES DATA SEQUENCE GSLSPEHGPV VVHCSAGIGR SGTFCLADTC LLLMDKRKDP SSVDIKKVLL DATA SEQUENCE EMRKFRMGLI QTADQLRFSY LAVIEGAKFI MGDSSVQDQW KELSHED 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 2 E HA 0.000 4.350 4.350 0.000 0.000 0.291 2 E C 0.000 176.677 176.600 0.128 0.000 1.382 2 E CA 0.000 56.448 56.400 0.081 0.000 0.976 2 E CB 0.000 29.738 29.700 0.064 0.000 0.812 3 M N 2.445 122.126 119.600 0.136 0.000 2.106 3 M HA -0.134 4.347 4.480 0.001 0.000 0.259 3 M C 1.519 178.015 176.300 0.326 0.000 1.068 3 M CA 2.177 57.618 55.300 0.236 0.000 1.100 3 M CB -0.283 32.375 32.600 0.096 0.000 1.351 3 M HN 0.484 8.774 8.290 0.000 0.000 0.404 4 E N 0.848 121.168 120.200 0.201 0.000 2.072 4 E HA -0.146 4.205 4.350 0.001 0.000 0.190 4 E C 1.933 178.661 176.600 0.213 0.000 0.982 4 E CA 1.301 57.814 56.400 0.189 0.000 0.803 4 E CB 0.096 29.850 29.700 0.090 0.000 0.755 4 E HN 0.631 8.991 8.360 0.000 0.000 0.453 5 K N 0.483 120.975 120.400 0.155 0.000 2.057 5 K HA -0.178 4.143 4.320 0.001 0.000 0.206 5 K C 2.252 178.923 176.600 0.119 0.000 1.050 5 K CA 1.424 57.782 56.287 0.118 0.000 0.935 5 K CB -0.135 32.411 32.500 0.078 0.000 0.715 5 K HN 0.174 8.424 8.250 0.000 0.000 0.439 6 E N 0.637 120.922 120.200 0.142 0.000 2.085 6 E HA -0.230 4.121 4.350 0.001 0.000 0.194 6 E C 1.870 178.487 176.600 0.028 0.000 0.994 6 E CA 1.058 57.509 56.400 0.085 0.000 0.801 6 E CB -0.126 29.671 29.700 0.163 0.000 0.743 6 E HN 0.249 8.609 8.360 0.000 0.000 0.453 7 F N 1.950 121.932 119.950 0.054 0.000 2.126 7 F HA -0.197 4.330 4.527 0.001 0.000 0.299 7 F C 1.989 177.809 175.800 0.033 0.000 1.096 7 F CA 2.008 60.039 58.000 0.052 0.000 1.255 7 F CB -0.011 39.120 39.000 0.218 0.000 0.997 7 F HN 0.053 8.353 8.300 0.000 0.000 0.479 8 E N -0.507 119.849 120.200 0.260 0.000 2.107 8 E HA -0.267 4.084 4.350 0.001 0.000 0.191 8 E C 2.129 178.716 176.600 -0.023 0.000 0.982 8 E CA 1.106 57.602 56.400 0.160 0.000 0.809 8 E CB -0.406 29.397 29.700 0.172 0.000 0.756 8 E HN 0.601 8.961 8.360 0.000 0.000 0.459 9 Q N 0.920 120.678 119.800 -0.069 0.000 2.119 9 Q HA -0.144 4.196 4.340 0.001 0.000 0.201 9 Q C 2.142 177.989 176.000 -0.255 0.000 0.972 9 Q CA 1.024 56.750 55.803 -0.127 0.000 0.847 9 Q CB 0.046 28.721 28.738 -0.104 0.000 0.903 9 Q HN 0.274 8.544 8.270 0.000 0.000 0.433 10 I N 0.667 120.968 120.570 -0.448 0.000 2.286 10 I HA -0.223 3.948 4.170 0.001 0.000 0.245 10 I C 1.793 177.535 176.117 -0.625 0.000 1.104 10 I CA 0.926 61.770 61.300 -0.761 0.000 1.397 10 I CB -0.235 36.837 38.000 -1.546 0.000 1.072 10 I HN 0.173 8.383 8.210 0.000 0.000 0.417 11 D N 1.389 121.533 120.400 -0.427 0.000 2.092 11 D HA -0.225 4.416 4.640 0.001 0.000 0.193 11 D C 2.159 178.404 176.300 -0.091 0.000 0.994 11 D CA 1.501 55.421 54.000 -0.134 0.000 0.828 11 D CB -0.219 40.541 40.800 -0.066 0.000 0.963 11 D HN 0.346 8.716 8.370 0.000 0.000 0.450 12 K N 0.432 120.778 120.400 -0.089 0.000 2.063 12 K HA -0.124 4.196 4.320 0.001 0.000 0.208 12 K C 1.748 178.307 176.600 -0.069 0.000 1.048 12 K CA 1.914 58.170 56.287 -0.053 0.000 0.928 12 K CB -0.317 32.158 32.500 -0.041 0.000 0.713 12 K HN 0.160 8.410 8.250 0.000 0.000 0.442 13 S N -0.368 115.263 115.700 -0.115 0.000 2.575 13 S HA 0.190 4.660 4.470 0.001 0.000 0.215 13 S C 1.105 175.639 174.600 -0.109 0.000 0.966 13 S CA 0.059 58.194 58.200 -0.109 0.000 0.911 13 S CB -0.030 63.091 63.200 -0.131 0.000 0.780 13 S HN 0.617 8.927 8.310 0.000 0.000 0.514 14 G N 2.021 110.756 108.800 -0.109 0.000 2.393 14 G HA2 -0.260 3.701 3.960 0.001 0.000 0.299 14 G HA3 -0.260 3.701 3.960 0.001 0.000 0.299 14 G C 0.296 175.147 174.900 -0.083 0.000 0.990 14 G CA 0.429 45.494 45.100 -0.058 0.000 1.118 14 G HN 1.247 9.537 8.290 0.000 0.000 0.513 15 S N -2.309 113.261 115.700 -0.217 0.000 2.651 15 S HA 0.267 4.738 4.470 0.001 0.000 0.246 15 S C 1.225 175.698 174.600 -0.211 0.000 1.039 15 S CA 0.042 58.127 58.200 -0.191 0.000 1.013 15 S CB -0.131 62.944 63.200 -0.208 0.000 0.861 15 S HN 0.524 8.834 8.310 0.000 0.000 0.485 16 W N 1.929 123.174 121.300 -0.091 0.000 2.363 16 W HA -0.029 4.632 4.660 0.001 0.000 0.296 16 W C 2.629 179.160 176.519 0.020 0.000 1.212 16 W CA 1.011 58.312 57.345 -0.074 0.000 1.260 16 W CB -0.281 29.111 29.460 -0.113 0.000 1.131 16 W HN 0.532 8.712 8.180 0.000 0.000 0.530 17 A N 0.397 123.355 122.820 0.231 0.000 1.902 17 A HA -0.120 4.201 4.320 0.001 0.000 0.217 17 A C 2.051 179.738 177.584 0.172 0.000 1.181 17 A CA 2.431 54.589 52.037 0.202 0.000 0.623 17 A CB -1.281 17.796 19.000 0.128 0.000 0.818 17 A HN 0.208 8.358 8.150 0.000 0.000 0.443 18 A N -0.194 122.674 122.820 0.080 0.000 1.898 18 A HA -0.002 4.319 4.320 0.001 0.000 0.216 18 A C 2.026 179.626 177.584 0.027 0.000 1.181 18 A CA 1.463 53.517 52.037 0.029 0.000 0.620 18 A CB -0.454 18.531 19.000 -0.025 0.000 0.819 18 A HN 0.401 8.551 8.150 0.000 0.000 0.442 19 I N -1.370 119.211 120.570 0.018 0.000 2.179 19 I HA -0.232 3.938 4.170 0.001 0.000 0.242 19 I C 2.428 178.632 176.117 0.145 0.000 1.088 19 I CA 1.681 62.997 61.300 0.027 0.000 1.357 19 I CB -1.431 36.527 38.000 -0.071 0.000 1.051 19 I HN 0.565 8.775 8.210 0.000 0.000 0.409 20 Y N 2.194 122.570 120.300 0.126 0.000 2.145 20 Y HA -0.238 4.312 4.550 0.001 0.000 0.286 20 Y C 2.703 178.668 175.900 0.107 0.000 1.145 20 Y CA 1.650 59.838 58.100 0.147 0.000 1.148 20 Y CB -0.293 38.266 38.460 0.165 0.000 0.981 20 Y HN 0.163 8.443 8.280 0.000 0.000 0.507 21 Q N 0.086 119.869 119.800 -0.028 0.000 2.170 21 Q HA -0.202 4.139 4.340 0.001 0.000 0.203 21 Q C 1.853 177.804 176.000 -0.081 0.000 0.976 21 Q CA 1.762 57.502 55.803 -0.105 0.000 0.858 21 Q CB -0.590 28.156 28.738 0.014 0.000 0.907 21 Q HN 0.599 8.869 8.270 0.000 0.000 0.433 22 D N 0.341 120.715 120.400 -0.042 0.000 2.144 22 D HA -0.115 4.526 4.640 0.001 0.000 0.199 22 D C 1.819 178.118 176.300 -0.001 0.000 0.984 22 D CA 0.816 54.803 54.000 -0.022 0.000 0.834 22 D CB -0.092 40.694 40.800 -0.024 0.000 0.955 22 D HN 0.207 8.577 8.370 0.000 0.000 0.465 23 I N -0.074 120.467 120.570 -0.050 0.000 2.179 23 I HA -0.213 3.958 4.170 0.001 0.000 0.242 23 I C 2.628 178.690 176.117 -0.091 0.000 1.088 23 I CA 0.817 62.089 61.300 -0.046 0.000 1.357 23 I CB -0.207 37.785 38.000 -0.013 0.000 1.051 23 I HN -0.011 8.199 8.210 0.000 0.000 0.409 24 R N -0.384 119.981 120.500 -0.224 0.000 2.103 24 R HA -0.244 4.096 4.340 0.001 0.000 0.242 24 R C 2.440 178.709 176.300 -0.052 0.000 1.142 24 R CA 1.669 57.670 56.100 -0.165 0.000 0.960 24 R CB -0.791 29.376 30.300 -0.223 0.000 0.858 24 R HN 0.515 8.785 8.270 0.000 0.000 0.439 25 H N 1.098 120.109 119.070 -0.098 0.000 2.353 25 H HA -0.088 4.469 4.556 0.001 0.000 0.300 25 H C 1.193 176.487 175.328 -0.056 0.000 1.090 25 H CA 1.637 57.647 56.048 -0.064 0.000 1.327 25 H CB 0.271 30.001 29.762 -0.054 0.000 1.383 25 H HN 0.297 8.577 8.280 0.000 0.000 0.508 26 E N 0.365 120.617 120.200 0.086 0.000 2.435 26 E HA 0.166 4.516 4.350 0.001 0.000 0.195 26 E C 0.721 177.298 176.600 -0.037 0.000 1.029 26 E CA 0.102 56.526 56.400 0.039 0.000 0.865 26 E CB 0.255 30.001 29.700 0.077 0.000 0.833 26 E HN 0.389 8.749 8.360 0.000 0.000 0.510 27 A N 1.345 124.141 122.820 -0.039 0.000 2.520 27 A HA 0.108 4.428 4.320 0.001 0.000 0.235 27 A C 0.433 177.967 177.584 -0.083 0.000 1.065 27 A CA -0.195 51.829 52.037 -0.022 0.000 0.764 27 A CB 0.342 19.351 19.000 0.015 0.000 1.002 27 A HN 0.063 8.213 8.150 0.000 0.000 0.502 28 S N 0.581 116.230 115.700 -0.085 0.000 2.566 28 S HA 0.218 4.689 4.470 0.001 0.000 0.280 28 S C -0.117 174.267 174.600 -0.360 0.000 1.343 28 S CA 0.291 58.308 58.200 -0.304 0.000 1.036 28 S CB 0.372 63.419 63.200 -0.254 0.000 0.866 28 S HN 0.736 9.046 8.310 0.000 0.000 0.526 29 D N 0.734 120.717 120.400 -0.695 0.000 2.542 29 D HA 0.551 5.192 4.640 0.001 0.000 0.252 29 D C -1.383 174.396 176.300 -0.869 0.000 1.222 29 D CA -0.339 53.352 54.000 -0.515 0.000 0.895 29 D CB 0.353 40.980 40.800 -0.288 0.000 1.207 29 D HN 0.196 8.566 8.370 0.000 0.000 0.558 30 F N 2.440 122.057 119.950 -0.555 0.000 2.611 30 F HA 0.601 5.129 4.527 0.001 0.000 0.324 30 F C -1.823 173.923 175.800 -0.090 0.000 1.061 30 F CA -2.113 55.610 58.000 -0.463 0.000 0.954 30 F CB 1.214 39.756 39.000 -0.763 0.000 1.301 30 F HN 0.117 8.417 8.300 0.000 0.000 0.482 31 P HA 0.208 4.628 4.420 0.000 0.000 0.275 31 P C -0.898 176.582 177.300 0.300 0.000 1.228 31 P CA -0.292 62.934 63.100 0.210 0.000 0.786 31 P CB 0.487 32.273 31.700 0.144 0.000 0.927 32 C N 2.814 122.258 119.300 0.240 0.000 2.808 32 C HA 0.283 4.743 4.460 0.001 0.000 0.261 32 C C 1.824 176.878 174.990 0.106 0.000 1.574 32 C CA -0.420 58.721 59.018 0.205 0.000 1.611 32 C CB -1.174 26.681 27.740 0.191 0.000 2.726 32 C HN 0.663 8.893 8.230 0.000 0.000 0.528 33 R N 0.438 120.992 120.500 0.091 0.000 2.081 33 R HA -0.076 4.265 4.340 0.001 0.000 0.235 33 R C 1.928 178.225 176.300 -0.005 0.000 1.131 33 R CA 1.284 57.408 56.100 0.040 0.000 0.960 33 R CB -0.199 30.127 30.300 0.043 0.000 0.856 33 R HN 0.481 8.751 8.270 0.000 0.000 0.436 34 V N 1.264 121.182 119.914 0.006 0.000 2.343 34 V HA -0.231 3.890 4.120 0.001 0.000 0.247 34 V C 2.502 178.436 176.094 -0.267 0.000 1.051 34 V CA 1.942 64.206 62.300 -0.060 0.000 1.036 34 V CB -0.755 31.093 31.823 0.042 0.000 0.654 34 V HN 0.388 8.578 8.190 0.000 0.000 0.451 35 A N -0.752 121.927 122.820 -0.235 0.000 1.972 35 A HA -0.182 4.138 4.320 0.001 0.000 0.219 35 A C 2.139 179.538 177.584 -0.309 0.000 1.169 35 A CA 1.498 53.261 52.037 -0.455 0.000 0.635 35 A CB -0.308 18.685 19.000 -0.010 0.000 0.810 35 A HN 0.379 8.529 8.150 0.000 0.000 0.446 36 K N -0.338 119.973 120.400 -0.148 0.000 2.444 36 K HA 0.252 4.572 4.320 0.001 0.000 0.193 36 K C 0.205 176.750 176.600 -0.092 0.000 1.024 36 K CA -0.086 56.150 56.287 -0.086 0.000 1.077 36 K CB -0.362 32.123 32.500 -0.025 0.000 0.833 36 K HN 0.492 8.742 8.250 0.000 0.000 0.517 37 L N 2.221 123.366 121.223 -0.130 0.000 2.525 37 L HA -0.025 4.316 4.340 0.001 0.000 0.278 37 L C -1.165 175.651 176.870 -0.091 0.000 1.218 37 L CA -1.022 53.759 54.840 -0.099 0.000 0.878 37 L CB 0.064 42.059 42.059 -0.107 0.000 1.127 37 L HN -0.110 8.120 8.230 0.000 0.000 0.492 38 P HA -0.223 4.197 4.420 0.000 0.000 0.217 38 P C 1.160 178.437 177.300 -0.038 0.000 1.151 38 P CA 1.422 64.499 63.100 -0.037 0.000 0.849 38 P CB 0.062 31.749 31.700 -0.022 0.000 0.787 39 K N -1.517 118.858 120.400 -0.041 0.000 2.442 39 K HA -0.049 4.272 4.320 0.001 0.000 0.198 39 K C 1.038 177.617 176.600 -0.035 0.000 1.042 39 K CA 1.271 57.541 56.287 -0.027 0.000 0.958 39 K CB -0.506 31.983 32.500 -0.017 0.000 0.766 39 K HN 0.064 8.314 8.250 0.000 0.000 0.474 40 N N 1.130 119.775 118.700 -0.093 0.000 2.205 40 N HA 0.011 4.752 4.740 0.001 0.000 0.201 40 N C 0.890 176.354 175.510 -0.076 0.000 1.128 40 N CA 0.200 53.172 53.050 -0.130 0.000 0.867 40 N CB 0.590 38.807 38.487 -0.450 0.000 0.996 40 N HN 0.323 8.703 8.380 0.000 0.000 0.503 41 K N 1.865 122.235 120.400 -0.050 0.000 2.074 41 K HA -0.152 4.168 4.320 0.001 0.000 0.209 41 K C 1.177 177.782 176.600 0.007 0.000 1.048 41 K CA 1.684 57.957 56.287 -0.022 0.000 0.926 41 K CB 0.072 32.563 32.500 -0.014 0.000 0.713 41 K HN 0.156 8.406 8.250 0.000 0.000 0.444 42 N N 0.332 119.045 118.700 0.021 0.000 2.521 42 N HA -0.092 4.649 4.740 0.001 0.000 0.188 42 N C 0.574 176.121 175.510 0.062 0.000 1.146 42 N CA 0.578 53.647 53.050 0.032 0.000 0.893 42 N CB 0.020 38.526 38.487 0.031 0.000 0.975 42 N HN 0.226 8.606 8.380 0.000 0.000 0.451 43 R N -0.721 119.841 120.500 0.102 0.000 2.362 43 R HA 0.230 4.571 4.340 0.001 0.000 0.227 43 R C -0.496 175.906 176.300 0.169 0.000 0.905 43 R CA -0.172 56.033 56.100 0.175 0.000 1.067 43 R CB 0.117 30.602 30.300 0.309 0.000 1.078 43 R HN 0.153 8.423 8.270 0.000 0.000 0.516 44 N N 0.865 119.627 118.700 0.103 0.000 2.372 44 N HA 0.119 4.860 4.740 0.001 0.000 0.285 44 N C 0.178 175.671 175.510 -0.029 0.000 1.008 44 N CA -0.206 52.889 53.050 0.076 0.000 0.880 44 N CB 2.118 40.658 38.487 0.089 0.000 1.239 44 N HN 0.015 8.395 8.380 0.000 0.000 0.484 45 R N 2.030 122.464 120.500 -0.111 0.000 2.073 45 R HA -0.005 4.336 4.340 0.001 0.000 0.229 45 R C -0.363 175.634 176.300 -0.505 0.000 1.120 45 R CA 1.408 57.292 56.100 -0.359 0.000 0.967 45 R CB 0.192 30.187 30.300 -0.508 0.000 0.862 45 R HN 0.482 8.752 8.270 0.000 0.000 0.436 46 Y N -0.399 119.919 120.300 0.030 0.000 2.350 46 Y HA 0.324 4.876 4.550 0.002 0.000 0.338 46 Y C 0.766 176.685 175.900 0.032 0.000 0.961 46 Y CA -1.082 57.037 58.100 0.032 0.000 1.100 46 Y CB 1.513 39.992 38.460 0.032 0.000 1.179 46 Y HN -0.140 8.140 8.280 0.000 0.000 0.454 47 R N 0.787 121.392 120.500 0.176 0.000 2.103 47 R HA -0.186 4.155 4.340 0.001 0.000 0.242 47 R C -0.079 176.283 176.300 0.104 0.000 1.142 47 R CA 2.221 58.386 56.100 0.108 0.000 0.960 47 R CB 0.117 30.469 30.300 0.086 0.000 0.858 47 R HN 0.749 9.019 8.270 0.000 0.000 0.439 48 D N -0.479 119.994 120.400 0.121 0.000 2.368 48 D HA 0.107 4.747 4.640 0.001 0.000 0.218 48 D C -0.733 175.612 176.300 0.075 0.000 1.112 48 D CA 0.200 54.250 54.000 0.084 0.000 0.834 48 D CB 0.956 41.795 40.800 0.066 0.000 0.953 48 D HN -0.047 8.323 8.370 0.000 0.000 0.505 49 V N 0.834 120.811 119.914 0.105 0.000 2.349 49 V HA 0.401 4.521 4.120 0.001 0.000 0.284 49 V C -0.118 176.019 176.094 0.072 0.000 1.014 49 V CA -0.458 61.886 62.300 0.073 0.000 0.826 49 V CB 1.634 33.511 31.823 0.090 0.000 1.009 49 V HN -0.130 8.060 8.190 0.000 0.000 0.431 50 S N 5.908 121.620 115.700 0.020 0.000 2.570 50 S HA 0.724 5.195 4.470 0.001 0.000 0.286 50 S C -2.910 171.650 174.600 -0.068 0.000 1.099 50 S CA -1.185 57.037 58.200 0.037 0.000 0.913 50 S CB 2.784 66.025 63.200 0.068 0.000 1.085 50 S HN 0.540 8.850 8.310 0.000 0.000 0.480 51 P HA 0.365 4.785 4.420 0.000 0.000 0.280 51 P C -0.849 176.442 177.300 -0.016 0.000 1.244 51 P CA -0.511 62.531 63.100 -0.098 0.000 0.784 51 P CB 0.077 31.774 31.700 -0.005 0.000 0.913 52 F N 1.425 121.410 119.950 0.059 0.000 2.602 52 F HA -0.020 4.508 4.527 0.001 0.000 0.367 52 F C 1.874 177.676 175.800 0.003 0.000 1.126 52 F CA 0.394 58.431 58.000 0.061 0.000 1.321 52 F CB -0.515 38.510 39.000 0.041 0.000 1.094 52 F HN 0.338 8.638 8.300 0.000 0.000 0.594 53 D N 0.602 121.165 120.400 0.272 0.000 2.149 53 D HA -0.241 4.399 4.640 0.001 0.000 0.198 53 D C 1.999 178.364 176.300 0.108 0.000 0.990 53 D CA 2.233 56.332 54.000 0.165 0.000 0.839 53 D CB -0.449 40.442 40.800 0.151 0.000 0.948 53 D HN 0.817 9.187 8.370 0.000 0.000 0.460 54 H N -0.245 118.866 119.070 0.067 0.000 2.495 54 H HA 0.078 4.635 4.556 0.001 0.000 0.287 54 H C 1.444 176.799 175.328 0.046 0.000 1.033 54 H CA 1.649 57.685 56.048 -0.019 0.000 1.307 54 H CB -0.078 29.556 29.762 -0.214 0.000 1.401 54 H HN 0.055 8.335 8.280 0.000 0.000 0.555 55 S N 0.226 115.670 115.700 -0.426 0.000 2.629 55 S HA 0.148 4.618 4.470 0.001 0.000 0.236 55 S C 0.704 175.270 174.600 -0.056 0.000 1.010 55 S CA -0.823 57.257 58.200 -0.200 0.000 0.981 55 S CB -0.030 63.040 63.200 -0.216 0.000 0.919 55 S HN 0.606 8.916 8.310 0.000 0.000 0.514 56 R N 1.241 121.721 120.500 -0.033 0.000 2.643 56 R HA 0.347 4.688 4.340 0.001 0.000 0.270 56 R C -0.309 175.973 176.300 -0.030 0.000 1.061 56 R CA -0.575 55.513 56.100 -0.021 0.000 1.107 56 R CB 0.169 30.487 30.300 0.029 0.000 0.999 56 R HN 0.112 8.382 8.270 0.000 0.000 0.460 57 I N 2.702 123.228 120.570 -0.074 0.000 2.416 57 I HA 0.098 4.269 4.170 0.001 0.000 0.288 57 I C 0.402 176.470 176.117 -0.083 0.000 1.051 57 I CA -0.136 61.115 61.300 -0.081 0.000 1.375 57 I CB 0.867 38.790 38.000 -0.129 0.000 1.407 57 I HN 0.636 8.846 8.210 0.000 0.000 0.516 58 K N 6.883 127.271 120.400 -0.020 0.000 2.211 58 K HA 0.512 4.832 4.320 0.001 0.000 0.275 58 K C -0.554 176.053 176.600 0.012 0.000 1.024 58 K CA -0.704 55.590 56.287 0.012 0.000 0.887 58 K CB 1.625 34.169 32.500 0.074 0.000 1.084 58 K HN 0.410 8.660 8.250 0.000 0.000 0.463 59 L N 3.288 124.489 121.223 -0.037 0.000 2.426 59 L HA 0.120 4.461 4.340 0.001 0.000 0.271 59 L C 0.603 177.533 176.870 0.100 0.000 1.169 59 L CA -0.242 54.562 54.840 -0.060 0.000 0.836 59 L CB 0.177 42.177 42.059 -0.098 0.000 1.112 59 L HN 0.611 8.841 8.230 0.000 0.000 0.465 60 H N 2.547 121.623 119.070 0.009 0.000 2.983 60 H HA 0.163 4.719 4.556 0.001 0.000 0.222 60 H C -0.574 174.768 175.328 0.023 0.000 1.828 60 H CA -0.572 55.489 56.048 0.022 0.000 1.309 60 H CB 0.012 29.799 29.762 0.041 0.000 1.644 60 H HN 0.411 8.691 8.280 0.000 0.000 0.561 61 Q N 0.448 120.320 119.800 0.120 0.000 2.372 61 Q HA 0.125 4.465 4.340 0.001 0.000 0.273 61 Q C 0.590 176.622 176.000 0.054 0.000 1.078 61 Q CA -0.489 55.358 55.803 0.075 0.000 0.806 61 Q CB 2.006 30.777 28.738 0.055 0.000 1.332 61 Q HN 0.543 8.813 8.270 0.000 0.000 0.435 62 E N 0.705 120.932 120.200 0.045 0.000 2.150 62 E HA -0.193 4.158 4.350 0.001 0.000 0.193 62 E C 0.546 177.165 176.600 0.031 0.000 0.985 62 E CA 1.123 57.543 56.400 0.034 0.000 0.814 62 E CB 0.334 30.052 29.700 0.029 0.000 0.752 62 E HN 0.596 8.956 8.360 0.000 0.000 0.466 63 D N 0.837 121.257 120.400 0.032 0.000 2.127 63 D HA -0.135 4.506 4.640 0.001 0.000 0.206 63 D C 0.419 176.734 176.300 0.025 0.000 0.989 63 D CA 1.095 55.113 54.000 0.030 0.000 0.877 63 D CB 0.184 41.007 40.800 0.037 0.000 1.042 63 D HN -0.086 8.284 8.370 0.000 0.000 0.455 64 N N -0.693 118.017 118.700 0.017 0.000 2.480 64 N HA 0.116 4.857 4.740 0.001 0.000 0.289 64 N C -1.388 174.114 175.510 -0.013 0.000 1.073 64 N CA -0.453 52.603 53.050 0.011 0.000 0.885 64 N CB 1.609 40.102 38.487 0.009 0.000 1.421 64 N HN 0.123 8.503 8.380 0.000 0.000 0.503 65 D N 1.921 122.334 120.400 0.021 0.000 2.328 65 D HA -0.030 4.611 4.640 0.001 0.000 0.221 65 D C -0.062 176.233 176.300 -0.008 0.000 1.072 65 D CA -0.038 53.966 54.000 0.007 0.000 0.850 65 D CB -0.506 40.320 40.800 0.044 0.000 0.922 65 D HN 0.411 8.781 8.370 0.000 0.000 0.516 66 Y N 0.983 121.217 120.300 -0.111 0.000 2.316 66 Y HA 0.463 5.014 4.550 0.001 0.000 0.331 66 Y C -0.585 175.228 175.900 -0.145 0.000 1.083 66 Y CA -0.863 57.178 58.100 -0.099 0.000 1.206 66 Y CB 0.535 38.955 38.460 -0.066 0.000 1.195 66 Y HN 0.006 8.286 8.280 0.000 0.000 0.497 67 I N 6.109 126.035 120.570 -1.074 0.000 2.722 67 I HA 0.267 4.438 4.170 0.001 0.000 0.295 67 I C -1.239 174.235 176.117 -1.072 0.000 1.161 67 I CA -0.939 59.829 61.300 -0.886 0.000 1.032 67 I CB 1.696 39.454 38.000 -0.404 0.000 1.244 67 I HN 0.649 8.859 8.210 0.000 0.000 0.421 68 N N 6.199 124.519 118.700 -0.633 0.000 2.549 68 N HA 0.470 5.211 4.740 0.001 0.000 0.267 68 N C -1.225 174.168 175.510 -0.195 0.000 1.182 68 N CA 0.266 53.145 53.050 -0.285 0.000 1.019 68 N CB 0.217 38.690 38.487 -0.025 0.000 1.380 68 N HN 0.668 9.048 8.380 0.000 0.000 0.505 69 A N 1.591 124.286 122.820 -0.209 0.000 2.566 69 A HA 0.612 4.932 4.320 0.001 0.000 0.297 69 A C -1.056 176.460 177.584 -0.114 0.000 1.059 69 A CA -0.662 51.286 52.037 -0.147 0.000 0.691 69 A CB 1.103 19.995 19.000 -0.180 0.000 1.282 69 A HN 0.336 8.486 8.150 0.000 0.000 0.401 70 S N 0.600 116.256 115.700 -0.073 0.000 2.526 70 S HA 0.603 5.074 4.470 0.001 0.000 0.293 70 S C -0.926 173.664 174.600 -0.016 0.000 1.092 70 S CA -0.507 57.669 58.200 -0.040 0.000 0.980 70 S CB 1.552 64.736 63.200 -0.028 0.000 1.048 70 S HN 1.075 9.385 8.310 0.000 0.000 0.483 71 L N 3.768 124.986 121.223 -0.008 0.000 2.283 71 L HA 0.486 4.827 4.340 0.001 0.000 0.287 71 L C -1.269 175.559 176.870 -0.069 0.000 1.073 71 L CA -0.258 54.564 54.840 -0.030 0.000 0.822 71 L CB -0.162 41.874 42.059 -0.039 0.000 1.186 71 L HN 0.476 8.706 8.230 0.000 0.000 0.436 72 I N 5.511 126.033 120.570 -0.081 0.000 2.269 72 I HA 0.233 4.404 4.170 0.001 0.000 0.293 72 I C 0.281 176.148 176.117 -0.416 0.000 1.106 72 I CA -0.096 61.068 61.300 -0.226 0.000 1.248 72 I CB 0.273 38.306 38.000 0.055 0.000 1.444 72 I HN 0.527 8.737 8.210 0.000 0.000 0.497 73 K N 7.017 126.838 120.400 -0.965 0.000 2.299 73 K HA 0.396 4.717 4.320 0.001 0.000 0.268 73 K C -0.662 175.649 176.600 -0.482 0.000 1.075 73 K CA -0.504 55.440 56.287 -0.572 0.000 0.936 73 K CB 0.494 32.771 32.500 -0.373 0.000 1.228 73 K HN 0.285 8.535 8.250 0.000 0.000 0.454 74 M N 4.092 123.571 119.600 -0.202 0.000 2.435 74 M HA 0.057 4.538 4.480 0.001 0.000 0.344 74 M C 0.942 177.233 176.300 -0.015 0.000 1.329 74 M CA 0.177 55.451 55.300 -0.044 0.000 1.320 74 M CB 0.351 32.985 32.600 0.056 0.000 1.309 74 M HN 0.760 9.050 8.290 0.000 0.000 0.451 75 E N 2.724 122.939 120.200 0.025 0.000 2.038 75 E HA -0.241 4.110 4.350 0.001 0.000 0.195 75 E C 1.476 178.092 176.600 0.025 0.000 1.000 75 E CA 1.854 58.272 56.400 0.030 0.000 0.803 75 E CB 0.233 29.976 29.700 0.071 0.000 0.750 75 E HN 0.768 9.128 8.360 0.000 0.000 0.448 76 E N -0.317 119.909 120.200 0.043 0.000 2.072 76 E HA -0.173 4.178 4.350 0.001 0.000 0.191 76 E C 1.876 178.489 176.600 0.022 0.000 0.985 76 E CA 0.949 57.370 56.400 0.034 0.000 0.801 76 E CB -0.145 29.582 29.700 0.046 0.000 0.750 76 E HN 0.334 8.694 8.360 0.000 0.000 0.452 77 A N 0.339 123.175 122.820 0.025 0.000 2.066 77 A HA -0.128 4.193 4.320 0.001 0.000 0.218 77 A C 0.918 178.493 177.584 -0.014 0.000 1.157 77 A CA 1.056 53.102 52.037 0.015 0.000 0.670 77 A CB -0.200 18.823 19.000 0.038 0.000 0.804 77 A HN 0.448 8.598 8.150 0.000 0.000 0.453 78 Q N -1.900 117.884 119.800 -0.026 0.000 2.487 78 Q HA -0.211 4.130 4.340 0.001 0.000 0.279 78 Q C 0.010 175.955 176.000 -0.092 0.000 1.228 78 Q CA 1.099 56.871 55.803 -0.051 0.000 0.873 78 Q CB -1.400 27.314 28.738 -0.040 0.000 1.260 78 Q HN 0.779 9.049 8.270 0.000 0.000 0.471 79 R N -0.239 120.187 120.500 -0.124 0.000 2.686 79 R HA 0.653 4.993 4.340 0.001 0.000 0.283 79 R C -1.247 174.852 176.300 -0.335 0.000 0.978 79 R CA -0.379 55.574 56.100 -0.245 0.000 0.897 79 R CB 1.986 32.114 30.300 -0.287 0.000 1.192 79 R HN 0.034 8.304 8.270 0.000 0.000 0.457 80 S N 1.743 117.184 115.700 -0.432 0.000 2.536 80 S HA 0.618 5.089 4.470 0.001 0.000 0.298 80 S C -1.722 172.544 174.600 -0.556 0.000 1.083 80 S CA -0.453 57.521 58.200 -0.377 0.000 0.995 80 S CB 1.006 64.078 63.200 -0.214 0.000 1.058 80 S HN 0.427 8.737 8.310 0.000 0.000 0.488 81 Y N 0.540 120.801 120.300 -0.065 0.000 2.512 81 Y HA 0.581 5.131 4.550 0.001 0.000 0.348 81 Y C -0.255 175.615 175.900 -0.049 0.000 0.990 81 Y CA -0.951 57.134 58.100 -0.025 0.000 1.033 81 Y CB 0.909 39.384 38.460 0.026 0.000 1.259 81 Y HN 0.429 8.709 8.280 0.000 0.000 0.461 82 I N 4.007 124.639 120.570 0.103 0.000 2.312 82 I HA 0.252 4.423 4.170 0.001 0.000 0.290 82 I C -1.134 175.007 176.117 0.040 0.000 1.008 82 I CA -0.523 60.791 61.300 0.024 0.000 1.226 82 I CB 0.760 38.725 38.000 -0.058 0.000 1.371 82 I HN 0.307 8.517 8.210 0.000 0.000 0.468 83 L N 6.174 127.414 121.223 0.028 0.000 2.309 83 L HA 0.618 4.959 4.340 0.001 0.000 0.282 83 L C 0.174 177.037 176.870 -0.012 0.000 1.036 83 L CA 0.172 55.022 54.840 0.016 0.000 0.806 83 L CB 1.719 43.784 42.059 0.010 0.000 1.220 83 L HN 0.522 8.752 8.230 0.000 0.000 0.429 84 T N 1.488 116.048 114.554 0.010 0.000 2.843 84 T HA 0.428 4.779 4.350 0.001 0.000 0.302 84 T C -1.093 173.614 174.700 0.012 0.000 1.232 84 T CA -0.701 61.391 62.100 -0.013 0.000 1.009 84 T CB 1.341 70.186 68.868 -0.038 0.000 1.254 84 T HN 0.662 8.902 8.240 0.000 0.000 0.504 85 Q N 1.306 121.092 119.800 -0.024 0.000 2.382 85 Q HA 0.559 4.900 4.340 0.001 0.000 0.229 85 Q C 0.592 176.513 176.000 -0.132 0.000 1.006 85 Q CA -0.747 55.048 55.803 -0.013 0.000 0.916 85 Q CB 0.164 28.898 28.738 -0.006 0.000 1.235 85 Q HN 0.767 9.037 8.270 0.000 0.000 0.512 86 G N 2.040 110.783 108.800 -0.095 0.000 2.299 86 G HA2 0.263 4.224 3.960 0.001 0.000 0.256 86 G HA3 0.263 4.224 3.960 0.001 0.000 0.256 86 G C -2.343 172.363 174.900 -0.324 0.000 1.259 86 G CA -0.878 44.062 45.100 -0.267 0.000 0.943 86 G HN 0.471 8.761 8.290 0.000 0.000 0.479 87 P HA 0.082 4.502 4.420 0.000 0.000 0.267 87 P C 0.135 177.309 177.300 -0.209 0.000 1.200 87 P CA -0.012 62.841 63.100 -0.411 0.000 0.772 87 P CB 0.738 32.019 31.700 -0.698 0.000 0.855 88 L N 4.586 125.730 121.223 -0.132 0.000 2.400 88 L HA 0.348 4.689 4.340 0.001 0.000 0.264 88 L C -1.236 175.605 176.870 -0.048 0.000 1.061 88 L CA -1.987 52.806 54.840 -0.077 0.000 0.799 88 L CB 0.568 42.593 42.059 -0.058 0.000 1.240 88 L HN 0.253 8.483 8.230 0.000 0.000 0.461 89 P HA -0.135 4.285 4.420 0.000 0.000 0.219 89 P C 0.465 177.763 177.300 -0.005 0.000 1.146 89 P CA 1.143 64.241 63.100 -0.003 0.000 0.808 89 P CB 0.002 31.699 31.700 -0.006 0.000 0.779 90 N N -1.971 116.715 118.700 -0.023 0.000 2.280 90 N HA 0.003 4.743 4.740 0.001 0.000 0.192 90 N C 0.647 176.065 175.510 -0.153 0.000 1.109 90 N CA 0.817 53.840 53.050 -0.045 0.000 0.855 90 N CB -0.820 37.666 38.487 -0.001 0.000 0.974 90 N HN 0.146 8.526 8.380 0.000 0.000 0.482 91 T N -4.130 110.343 114.554 -0.136 0.000 3.200 91 T HA 0.250 4.601 4.350 0.001 0.000 0.284 91 T C 1.294 175.879 174.700 -0.191 0.000 1.009 91 T CA -0.325 61.653 62.100 -0.202 0.000 0.907 91 T CB -0.976 67.924 68.868 0.055 0.000 1.120 91 T HN 0.096 8.336 8.240 0.000 0.000 0.534 92 C N 1.317 120.531 119.300 -0.143 0.000 2.457 92 C HA 0.240 4.701 4.460 0.001 0.000 0.278 92 C C 3.031 177.843 174.990 -0.296 0.000 1.309 92 C CA 0.724 59.666 59.018 -0.127 0.000 1.735 92 C CB -1.255 26.582 27.740 0.161 0.000 1.992 92 C HN 0.773 9.003 8.230 0.000 0.000 0.493 93 G N -0.010 108.637 108.800 -0.255 0.000 2.421 93 G HA2 -0.222 3.739 3.960 0.001 0.000 0.216 93 G HA3 -0.222 3.739 3.960 0.001 0.000 0.216 93 G C 1.107 175.947 174.900 -0.099 0.000 1.171 93 G CA 0.993 45.956 45.100 -0.228 0.000 0.775 93 G HN 0.731 9.021 8.290 0.000 0.000 0.543 94 H N -1.089 117.952 119.070 -0.049 0.000 2.352 94 H HA -0.084 4.473 4.556 0.000 0.000 0.299 94 H C 2.226 177.478 175.328 -0.126 0.000 1.097 94 H CA 1.181 57.187 56.048 -0.070 0.000 1.311 94 H CB -0.194 29.527 29.762 -0.069 0.000 1.377 94 H HN 0.393 8.673 8.280 0.000 0.000 0.504 95 F N 0.367 120.177 119.950 -0.233 0.000 2.102 95 F HA -0.230 4.297 4.527 0.000 0.000 0.298 95 F C 1.609 177.134 175.800 -0.458 0.000 1.105 95 F CA 1.371 59.097 58.000 -0.456 0.000 1.239 95 F CB -0.346 38.210 39.000 -0.740 0.000 0.991 95 F HN 0.104 8.404 8.300 0.000 0.000 0.474 96 W N 0.841 122.087 121.300 -0.090 0.000 2.436 96 W HA -0.036 4.624 4.660 0.000 0.000 0.284 96 W C 2.538 179.007 176.519 -0.083 0.000 1.225 96 W CA 0.964 58.237 57.345 -0.120 0.000 1.271 96 W CB -0.442 28.904 29.460 -0.189 0.000 1.114 96 W HN 0.123 8.303 8.180 0.000 0.000 0.559 97 E N 0.915 121.175 120.200 0.100 0.000 2.058 97 E HA -0.313 4.037 4.350 0.001 0.000 0.194 97 E C 2.135 178.739 176.600 0.007 0.000 0.997 97 E CA 1.775 58.222 56.400 0.078 0.000 0.801 97 E CB -0.370 29.360 29.700 0.050 0.000 0.746 97 E HN 0.294 8.654 8.360 0.000 0.000 0.450 98 M N 0.392 119.911 119.600 -0.135 0.000 2.080 98 M HA -0.177 4.304 4.480 0.001 0.000 0.260 98 M C 2.138 178.310 176.300 -0.214 0.000 1.068 98 M CA 1.565 56.726 55.300 -0.232 0.000 1.109 98 M CB -0.047 32.349 32.600 -0.341 0.000 1.342 98 M HN 0.087 8.377 8.290 0.000 0.000 0.405 99 V N 0.112 119.869 119.914 -0.262 0.000 2.332 99 V HA -0.332 3.789 4.120 0.001 0.000 0.248 99 V C 2.150 178.262 176.094 0.030 0.000 1.055 99 V CA 2.326 64.541 62.300 -0.141 0.000 1.038 99 V CB -1.167 30.639 31.823 -0.029 0.000 0.651 99 V HN 0.768 8.958 8.190 0.000 0.000 0.450 100 W N 1.188 122.477 121.300 -0.018 0.000 2.353 100 W HA -0.168 4.494 4.660 0.003 0.000 0.319 100 W C 2.401 178.897 176.519 -0.039 0.000 1.207 100 W CA 2.099 59.446 57.345 0.005 0.000 1.291 100 W CB -0.231 29.246 29.460 0.028 0.000 1.159 100 W HN 0.354 8.534 8.180 0.000 0.000 0.478 101 E N -0.269 119.993 120.200 0.103 0.000 2.153 101 E HA -0.244 4.106 4.350 0.001 0.000 0.194 101 E C 1.947 178.481 176.600 -0.111 0.000 0.988 101 E CA 1.086 57.457 56.400 -0.048 0.000 0.811 101 E CB -0.255 29.221 29.700 -0.373 0.000 0.746 101 E HN 0.229 8.589 8.360 0.000 0.000 0.466 102 Q N 0.249 119.969 119.800 -0.134 0.000 2.403 102 Q HA 0.041 4.381 4.340 0.001 0.000 0.203 102 Q C -0.004 175.926 176.000 -0.116 0.000 0.932 102 Q CA 0.261 55.997 55.803 -0.111 0.000 0.945 102 Q CB 0.338 29.002 28.738 -0.124 0.000 1.045 102 Q HN 0.218 8.488 8.270 0.000 0.000 0.511 103 K N 0.330 120.624 120.400 -0.176 0.000 3.129 103 K HA -0.110 4.210 4.320 0.001 0.000 0.273 103 K C -0.522 176.006 176.600 -0.120 0.000 1.123 103 K CA 0.366 56.534 56.287 -0.199 0.000 0.800 103 K CB -1.936 30.474 32.500 -0.149 0.000 1.238 103 K HN 0.086 8.336 8.250 0.000 0.000 0.492 104 S N 0.254 115.890 115.700 -0.106 0.000 2.572 104 S HA 0.165 4.635 4.470 0.001 0.000 0.279 104 S C 1.237 175.790 174.600 -0.078 0.000 1.341 104 S CA -0.311 57.848 58.200 -0.068 0.000 1.043 104 S CB 1.615 64.775 63.200 -0.066 0.000 0.887 104 S HN 0.460 8.770 8.310 0.000 0.000 0.516 105 R N 1.448 121.880 120.500 -0.114 0.000 2.279 105 R HA 0.288 4.629 4.340 0.001 0.000 0.195 105 R C 0.559 176.846 176.300 -0.020 0.000 0.905 105 R CA 0.545 56.524 56.100 -0.202 0.000 1.044 105 R CB 0.122 30.021 30.300 -0.669 0.000 1.056 105 R HN 0.670 8.940 8.270 0.000 0.000 0.535 106 G N -0.258 108.580 108.800 0.064 0.000 2.571 106 G HA2 0.569 4.530 3.960 0.001 0.000 0.304 106 G HA3 0.569 4.530 3.960 0.001 0.000 0.304 106 G C -1.757 173.271 174.900 0.212 0.000 1.314 106 G CA -0.496 44.733 45.100 0.214 0.000 0.975 106 G HN 0.001 8.291 8.290 0.000 0.000 0.485 107 V N 1.500 121.594 119.914 0.301 0.000 2.483 107 V HA 0.445 4.566 4.120 0.001 0.000 0.297 107 V C -0.338 175.878 176.094 0.204 0.000 1.027 107 V CA -0.688 61.781 62.300 0.283 0.000 0.855 107 V CB 1.668 33.779 31.823 0.480 0.000 0.995 107 V HN 0.576 8.766 8.190 0.000 0.000 0.424 108 V N 6.205 126.161 119.914 0.070 0.000 2.370 108 V HA 0.487 4.607 4.120 0.001 0.000 0.283 108 V C -0.045 175.898 176.094 -0.252 0.000 1.023 108 V CA -0.331 61.922 62.300 -0.078 0.000 0.857 108 V CB 1.497 33.121 31.823 -0.331 0.000 0.985 108 V HN 0.910 9.100 8.190 0.000 0.000 0.443 109 M N 5.809 125.224 119.600 -0.308 0.000 2.167 109 M HA 0.500 4.981 4.480 0.001 0.000 0.333 109 M C -0.425 175.727 176.300 -0.246 0.000 1.030 109 M CA -0.384 54.594 55.300 -0.537 0.000 0.963 109 M CB 1.155 33.447 32.600 -0.513 0.000 1.589 109 M HN 0.580 8.870 8.290 0.000 0.000 0.431 110 L N 4.351 125.366 121.223 -0.347 0.000 2.693 110 L HA 0.260 4.601 4.340 0.001 0.000 0.235 110 L C 0.371 177.137 176.870 -0.173 0.000 1.127 110 L CA -0.346 54.334 54.840 -0.266 0.000 0.914 110 L CB -0.516 41.212 42.059 -0.553 0.000 1.193 110 L HN 0.708 8.938 8.230 0.000 0.000 0.502 111 N N -0.104 118.562 118.700 -0.057 0.000 2.545 111 N HA 0.427 5.167 4.740 0.001 0.000 0.289 111 N C -0.644 175.026 175.510 0.267 0.000 1.279 111 N CA -0.807 52.276 53.050 0.055 0.000 0.824 111 N CB 1.569 40.074 38.487 0.031 0.000 1.395 111 N HN -0.071 8.309 8.380 0.000 0.000 0.526 112 R N -0.402 120.249 120.500 0.252 0.000 2.573 112 R HA 0.394 4.735 4.340 0.001 0.000 0.272 112 R C 1.252 177.709 176.300 0.263 0.000 1.009 112 R CA -0.872 55.425 56.100 0.328 0.000 1.059 112 R CB 1.426 31.863 30.300 0.230 0.000 1.112 112 R HN 0.303 8.573 8.270 0.000 0.000 0.517 113 V N 1.172 121.252 119.914 0.277 0.000 2.407 113 V HA -0.148 3.973 4.120 0.001 0.000 0.248 113 V C 1.013 177.187 176.094 0.133 0.000 1.055 113 V CA 1.548 63.966 62.300 0.197 0.000 1.049 113 V CB -0.211 31.699 31.823 0.145 0.000 0.662 113 V HN 0.621 8.811 8.190 0.000 0.000 0.455 114 M N 0.317 119.991 119.600 0.123 0.000 2.243 114 M HA 0.443 4.923 4.480 0.001 0.000 0.324 114 M C -1.111 175.251 176.300 0.103 0.000 1.031 114 M CA -0.114 55.243 55.300 0.096 0.000 0.949 114 M CB 1.515 34.158 32.600 0.072 0.000 1.615 114 M HN 0.165 8.455 8.290 0.000 0.000 0.430 115 E N 3.887 124.146 120.200 0.099 0.000 2.292 115 E HA 0.322 4.672 4.350 0.001 0.000 0.272 115 E C -1.007 175.647 176.600 0.090 0.000 0.881 115 E CA -0.855 55.604 56.400 0.098 0.000 0.754 115 E CB 1.859 31.623 29.700 0.107 0.000 1.201 115 E HN 0.681 9.041 8.360 0.000 0.000 0.425 116 K N 1.091 121.539 120.400 0.080 0.000 3.071 116 K HA -0.304 4.017 4.320 0.001 0.000 0.262 116 K C 0.675 177.312 176.600 0.060 0.000 0.977 116 K CA 0.676 57.004 56.287 0.068 0.000 0.721 116 K CB -1.536 31.009 32.500 0.075 0.000 1.293 116 K HN 1.100 9.350 8.250 0.000 0.000 0.475 117 G N -0.614 108.220 108.800 0.057 0.000 2.184 117 G HA2 -0.380 3.581 3.960 0.001 0.000 0.264 117 G HA3 -0.380 3.581 3.960 0.001 0.000 0.264 117 G C 0.022 174.953 174.900 0.050 0.000 0.975 117 G CA 0.595 45.724 45.100 0.048 0.000 0.642 117 G HN 0.948 9.238 8.290 0.000 0.000 0.536 118 S N -0.642 115.096 115.700 0.063 0.000 2.568 118 S HA 0.788 5.259 4.470 0.001 0.000 0.302 118 S C -0.180 174.461 174.600 0.068 0.000 1.082 118 S CA -1.011 57.227 58.200 0.064 0.000 1.009 118 S CB 2.178 65.426 63.200 0.079 0.000 1.069 118 S HN 0.637 8.947 8.310 0.000 0.000 0.500 119 L N 2.943 124.198 121.223 0.052 0.000 2.363 119 L HA 0.349 4.690 4.340 0.001 0.000 0.286 119 L C 1.078 177.980 176.870 0.053 0.000 1.106 119 L CA -0.501 54.368 54.840 0.048 0.000 0.859 119 L CB 0.334 42.408 42.059 0.025 0.000 1.223 119 L HN 0.677 8.907 8.230 0.000 0.000 0.446 120 K N 1.188 121.638 120.400 0.083 0.000 2.418 120 K HA 0.155 4.476 4.320 0.001 0.000 0.195 120 K C -0.022 176.628 176.600 0.083 0.000 1.035 120 K CA 0.261 56.610 56.287 0.103 0.000 1.003 120 K CB 0.130 32.709 32.500 0.132 0.000 0.793 120 K HN 0.559 8.809 8.250 0.000 0.000 0.494 121 C N -0.108 119.240 119.300 0.080 0.000 3.247 121 C HA 0.615 5.076 4.460 0.001 0.000 0.375 121 C C -0.762 174.276 174.990 0.080 0.000 1.102 121 C CA -1.138 57.934 59.018 0.089 0.000 1.227 121 C CB 0.839 28.708 27.740 0.214 0.000 1.586 121 C HN 0.448 8.678 8.230 0.000 0.000 0.544 122 A N 3.150 126.001 122.820 0.052 0.000 2.366 122 A HA 0.515 4.836 4.320 0.001 0.000 0.249 122 A C 0.099 177.728 177.584 0.076 0.000 1.084 122 A CA 0.108 52.173 52.037 0.046 0.000 0.794 122 A CB 0.220 19.236 19.000 0.028 0.000 1.034 122 A HN 0.976 9.126 8.150 0.000 0.000 0.491 123 Q N 0.952 120.717 119.800 -0.059 0.000 2.534 123 Q HA 0.254 4.595 4.340 0.001 0.000 0.223 123 Q C -0.232 175.654 176.000 -0.190 0.000 1.239 123 Q CA 0.359 55.979 55.803 -0.305 0.000 0.936 123 Q CB -0.563 27.963 28.738 -0.353 0.000 1.457 123 Q HN 0.709 8.979 8.270 0.000 0.000 0.547 124 Y N 1.157 121.435 120.300 -0.035 0.000 2.466 124 Y HA 0.332 4.883 4.550 0.001 0.000 0.272 124 Y C -0.505 175.734 175.900 0.564 0.000 1.169 124 Y CA -1.146 57.100 58.100 0.244 0.000 1.285 124 Y CB -0.279 38.205 38.460 0.039 0.000 1.078 124 Y HN 0.391 8.671 8.280 0.000 0.000 0.523 125 W N 0.303 121.509 121.300 -0.157 0.000 2.882 125 W HA 0.808 5.469 4.660 0.001 0.000 0.345 125 W C -3.254 173.196 176.519 -0.116 0.000 1.125 125 W CA -3.296 53.989 57.345 -0.100 0.000 1.167 125 W CB 0.710 29.962 29.460 -0.347 0.000 1.431 125 W HN -0.352 7.828 8.180 0.000 0.000 0.543 126 P HA 0.142 4.562 4.420 0.000 0.000 0.276 126 P C -0.128 177.110 177.300 -0.103 0.000 1.230 126 P CA 0.017 63.040 63.100 -0.128 0.000 0.776 126 P CB 1.340 33.005 31.700 -0.058 0.000 0.888 127 Q N 1.028 120.720 119.800 -0.180 0.000 2.408 127 Q HA 0.101 4.441 4.340 0.001 0.000 0.205 127 Q C -0.005 175.985 176.000 -0.016 0.000 0.919 127 Q CA 0.683 56.438 55.803 -0.080 0.000 0.932 127 Q CB 0.230 28.881 28.738 -0.144 0.000 1.058 127 Q HN 0.471 8.741 8.270 0.000 0.000 0.517 128 K N 0.055 120.433 120.400 -0.037 0.000 2.443 128 K HA 0.207 4.527 4.320 0.001 0.000 0.252 128 K C -0.364 176.221 176.600 -0.025 0.000 0.933 128 K CA -0.425 55.847 56.287 -0.025 0.000 0.792 128 K CB 1.904 34.381 32.500 -0.038 0.000 1.185 128 K HN -0.184 8.066 8.250 0.000 0.000 0.425 129 E N 1.649 121.841 120.200 -0.014 0.000 2.114 129 E HA -0.263 4.088 4.350 0.001 0.000 0.199 129 E C 1.460 178.042 176.600 -0.031 0.000 1.008 129 E CA 1.766 58.156 56.400 -0.018 0.000 0.810 129 E CB 0.154 29.847 29.700 -0.012 0.000 0.739 129 E HN 0.613 8.973 8.360 0.000 0.000 0.456 130 E N 0.738 120.919 120.200 -0.032 0.000 2.502 130 E HA -0.088 4.262 4.350 0.001 0.000 0.194 130 E C 0.024 176.594 176.600 -0.050 0.000 1.062 130 E CA 0.556 56.933 56.400 -0.037 0.000 0.867 130 E CB 0.116 29.797 29.700 -0.032 0.000 0.888 130 E HN 0.079 8.439 8.360 0.000 0.000 0.510 131 K N 2.707 123.071 120.400 -0.059 0.000 2.606 131 K HA 0.085 4.405 4.320 0.001 0.000 0.196 131 K C -0.007 176.536 176.600 -0.096 0.000 1.048 131 K CA -0.355 55.885 56.287 -0.078 0.000 1.017 131 K CB 0.858 33.310 32.500 -0.080 0.000 1.413 131 K HN 0.168 8.418 8.250 0.000 0.000 0.568 132 E N 2.718 122.859 120.200 -0.098 0.000 2.392 132 E HA 0.108 4.459 4.350 0.001 0.000 0.256 132 E C -0.481 176.013 176.600 -0.176 0.000 1.145 132 E CA 0.002 56.331 56.400 -0.120 0.000 0.929 132 E CB 0.900 30.538 29.700 -0.104 0.000 0.998 132 E HN 0.238 8.598 8.360 0.000 0.000 0.442 133 M N 1.824 121.281 119.600 -0.238 0.000 2.364 133 M HA 0.452 4.932 4.480 0.001 0.000 0.334 133 M C -0.372 175.611 176.300 -0.528 0.000 1.107 133 M CA -0.638 54.413 55.300 -0.415 0.000 0.988 133 M CB 1.613 33.906 32.600 -0.513 0.000 1.673 133 M HN 0.387 8.677 8.290 0.000 0.000 0.441 134 I N 2.639 122.886 120.570 -0.539 0.000 2.406 134 I HA 0.375 4.546 4.170 0.001 0.000 0.290 134 I C -1.247 174.546 176.117 -0.540 0.000 0.999 134 I CA -0.479 60.565 61.300 -0.426 0.000 1.124 134 I CB 1.405 39.279 38.000 -0.210 0.000 1.289 134 I HN 0.535 8.745 8.210 0.000 0.000 0.441 135 F N 5.007 124.942 119.950 -0.024 0.000 2.313 135 F HA 0.321 4.848 4.527 0.000 0.000 0.369 135 F C 1.401 177.195 175.800 -0.009 0.000 1.109 135 F CA -0.477 57.525 58.000 0.004 0.000 1.132 135 F CB 0.546 39.580 39.000 0.057 0.000 1.291 135 F HN 0.515 8.815 8.300 0.000 0.000 0.496 136 E N 1.278 121.530 120.200 0.087 0.000 2.106 136 E HA -0.207 4.144 4.350 0.001 0.000 0.192 136 E C 1.638 178.278 176.600 0.066 0.000 0.984 136 E CA 1.486 57.913 56.400 0.046 0.000 0.806 136 E CB 0.044 29.752 29.700 0.014 0.000 0.750 136 E HN 0.691 9.051 8.360 0.000 0.000 0.458 137 D N 0.179 120.633 120.400 0.090 0.000 2.144 137 D HA -0.145 4.496 4.640 0.001 0.000 0.199 137 D C 1.771 178.127 176.300 0.094 0.000 0.984 137 D CA 1.824 55.876 54.000 0.085 0.000 0.834 137 D CB -0.563 40.286 40.800 0.083 0.000 0.955 137 D HN 0.218 8.588 8.370 0.000 0.000 0.465 138 T N -4.330 110.291 114.554 0.112 0.000 3.044 138 T HA 0.155 4.506 4.350 0.001 0.000 0.260 138 T C 0.420 175.147 174.700 0.045 0.000 1.019 138 T CA -0.130 62.022 62.100 0.088 0.000 0.921 138 T CB -0.442 68.487 68.868 0.101 0.000 1.053 138 T HN 0.038 8.278 8.240 0.000 0.000 0.533 139 N N 0.743 119.473 118.700 0.051 0.000 2.727 139 N HA -0.115 4.626 4.740 0.001 0.000 0.251 139 N C -1.135 174.352 175.510 -0.039 0.000 1.040 139 N CA 0.360 53.410 53.050 -0.000 0.000 0.712 139 N CB -1.796 36.672 38.487 -0.032 0.000 0.912 139 N HN 0.692 9.072 8.380 0.000 0.000 0.545 140 L N -0.452 120.798 121.223 0.045 0.000 2.388 140 L HA 0.544 4.885 4.340 0.001 0.000 0.264 140 L C 0.230 177.150 176.870 0.084 0.000 0.998 140 L CA -0.844 54.014 54.840 0.031 0.000 0.817 140 L CB 2.167 44.291 42.059 0.108 0.000 1.338 140 L HN 0.053 8.283 8.230 0.000 0.000 0.414 141 K N 2.062 122.456 120.400 -0.010 0.000 2.316 141 K HA 0.720 5.040 4.320 0.001 0.000 0.251 141 K C -1.870 174.688 176.600 -0.070 0.000 0.934 141 K CA -0.675 55.578 56.287 -0.056 0.000 0.802 141 K CB 2.129 34.580 32.500 -0.083 0.000 1.171 141 K HN 0.384 8.634 8.250 0.000 0.000 0.426 142 L N 2.693 123.848 121.223 -0.114 0.000 2.406 142 L HA 0.512 4.852 4.340 0.001 0.000 0.272 142 L C -1.517 175.275 176.870 -0.131 0.000 0.980 142 L CA 0.136 54.879 54.840 -0.162 0.000 0.831 142 L CB 2.175 44.103 42.059 -0.218 0.000 1.253 142 L HN 0.673 8.903 8.230 0.000 0.000 0.406 143 T N 5.184 119.676 114.554 -0.103 0.000 2.848 143 T HA 0.453 4.804 4.350 0.001 0.000 0.285 143 T C -0.871 173.805 174.700 -0.041 0.000 0.995 143 T CA -0.427 61.633 62.100 -0.067 0.000 0.970 143 T CB 1.532 70.368 68.868 -0.052 0.000 0.976 143 T HN 0.523 8.763 8.240 0.000 0.000 0.441 144 L N 4.715 125.928 121.223 -0.017 0.000 2.418 144 L HA 0.287 4.627 4.340 0.001 0.000 0.274 144 L C 0.511 177.382 176.870 0.001 0.000 1.135 144 L CA 0.154 55.001 54.840 0.013 0.000 0.870 144 L CB -0.159 41.925 42.059 0.042 0.000 1.154 144 L HN 0.602 8.832 8.230 0.000 0.000 0.462 145 I N 2.382 122.952 120.570 0.000 0.000 2.810 145 I HA 0.186 4.357 4.170 0.001 0.000 0.262 145 I C 0.814 176.931 176.117 0.001 0.000 1.131 145 I CA 1.052 62.350 61.300 -0.003 0.000 1.453 145 I CB -0.785 37.212 38.000 -0.005 0.000 1.161 145 I HN 0.801 9.011 8.210 0.000 0.000 0.444 146 S N 0.722 116.424 115.700 0.003 0.000 2.615 146 S HA 0.581 5.051 4.470 0.001 0.000 0.268 146 S C -1.204 173.400 174.600 0.005 0.000 1.146 146 S CA -0.855 57.347 58.200 0.004 0.000 0.818 146 S CB 2.374 65.573 63.200 -0.002 0.000 1.111 146 S HN 0.289 8.599 8.310 0.000 0.000 0.465 147 E N 0.072 120.276 120.200 0.007 0.000 2.372 147 E HA 0.602 4.953 4.350 0.001 0.000 0.279 147 E C -2.182 174.413 176.600 -0.008 0.000 0.946 147 E CA -0.787 55.617 56.400 0.005 0.000 0.769 147 E CB 1.846 31.569 29.700 0.039 0.000 1.230 147 E HN 0.438 8.798 8.360 0.000 0.000 0.442 148 D N 2.806 123.192 120.400 -0.024 0.000 2.453 148 D HA 0.332 4.972 4.640 0.001 0.000 0.238 148 D C -1.022 175.223 176.300 -0.092 0.000 1.088 148 D CA -0.468 53.506 54.000 -0.044 0.000 0.854 148 D CB 0.820 41.601 40.800 -0.032 0.000 1.076 148 D HN 0.497 8.867 8.370 0.000 0.000 0.533 149 I N 4.315 124.825 120.570 -0.099 0.000 2.325 149 I HA 0.236 4.406 4.170 0.001 0.000 0.291 149 I C 0.791 176.772 176.117 -0.227 0.000 1.019 149 I CA -0.645 60.569 61.300 -0.145 0.000 1.302 149 I CB 0.756 38.711 38.000 -0.076 0.000 1.401 149 I HN 0.043 8.253 8.210 0.000 0.000 0.485 150 K N 3.185 123.334 120.400 -0.418 0.000 2.450 150 K HA 0.367 4.688 4.320 0.001 0.000 0.248 150 K C 1.161 177.580 176.600 -0.302 0.000 1.056 150 K CA -0.474 55.540 56.287 -0.455 0.000 0.974 150 K CB 0.889 32.834 32.500 -0.925 0.000 1.334 150 K HN 0.560 8.810 8.250 0.000 0.000 0.516 151 S N -0.502 115.107 115.700 -0.152 0.000 2.423 151 S HA -0.158 4.312 4.470 0.001 0.000 0.231 151 S C 1.446 176.094 174.600 0.081 0.000 1.014 151 S CA 1.366 59.577 58.200 0.019 0.000 0.965 151 S CB -0.399 62.885 63.200 0.140 0.000 0.785 151 S HN 0.674 8.984 8.310 0.000 0.000 0.495 152 Y N -0.431 119.808 120.300 -0.101 0.000 2.610 152 Y HA 0.568 5.118 4.550 0.001 0.000 0.254 152 Y C -0.135 175.708 175.900 -0.096 0.000 1.110 152 Y CA -1.781 56.275 58.100 -0.074 0.000 1.238 152 Y CB -0.239 38.192 38.460 -0.048 0.000 1.322 152 Y HN 0.371 8.651 8.280 0.000 0.000 0.547 153 Y N -1.848 118.120 120.300 -0.554 0.000 2.624 153 Y HA 0.829 5.379 4.550 0.001 0.000 0.334 153 Y C -1.426 174.352 175.900 -0.204 0.000 1.155 153 Y CA -1.622 56.230 58.100 -0.413 0.000 1.046 153 Y CB 1.352 39.534 38.460 -0.464 0.000 1.316 153 Y HN -0.107 8.173 8.280 0.000 0.000 0.457 154 T N 2.343 116.918 114.554 0.035 0.000 2.886 154 T HA 0.606 4.956 4.350 0.001 0.000 0.292 154 T C -1.421 173.363 174.700 0.140 0.000 1.012 154 T CA -0.718 61.380 62.100 -0.003 0.000 0.982 154 T CB 1.780 70.661 68.868 0.022 0.000 1.018 154 T HN 0.619 8.859 8.240 0.000 0.000 0.451 155 V N 4.114 124.060 119.914 0.053 0.000 2.417 155 V HA 0.563 4.683 4.120 0.001 0.000 0.291 155 V C -0.002 176.036 176.094 -0.094 0.000 1.024 155 V CA -0.851 61.405 62.300 -0.074 0.000 0.861 155 V CB 1.434 33.209 31.823 -0.079 0.000 0.985 155 V HN 0.711 8.901 8.190 0.000 0.000 0.436 156 R N 3.279 123.703 120.500 -0.127 0.000 2.637 156 R HA 0.567 4.908 4.340 0.001 0.000 0.291 156 R C -0.790 175.455 176.300 -0.091 0.000 0.963 156 R CA -0.752 55.312 56.100 -0.059 0.000 0.901 156 R CB 2.399 32.694 30.300 -0.010 0.000 1.160 156 R HN 0.720 8.990 8.270 0.000 0.000 0.457 157 Q N 2.794 122.563 119.800 -0.051 0.000 2.290 157 Q HA 0.332 4.673 4.340 0.001 0.000 0.259 157 Q C -1.364 174.626 176.000 -0.016 0.000 0.941 157 Q CA -0.710 55.069 55.803 -0.040 0.000 0.912 157 Q CB 0.967 29.688 28.738 -0.030 0.000 1.244 157 Q HN 0.254 8.524 8.270 0.000 0.000 0.441 158 L N 2.992 124.210 121.223 -0.009 0.000 2.354 158 L HA 0.459 4.800 4.340 0.001 0.000 0.269 158 L C -0.604 176.256 176.870 -0.016 0.000 1.005 158 L CA -0.391 54.438 54.840 -0.018 0.000 0.819 158 L CB 1.887 43.928 42.059 -0.028 0.000 1.311 158 L HN 0.712 8.942 8.230 0.000 0.000 0.423 159 E N 2.708 122.890 120.200 -0.030 0.000 2.129 159 E HA 0.409 4.760 4.350 0.001 0.000 0.268 159 E C -1.488 175.096 176.600 -0.027 0.000 0.900 159 E CA -0.475 55.920 56.400 -0.008 0.000 0.755 159 E CB 1.330 31.030 29.700 -0.000 0.000 1.117 159 E HN 0.569 8.929 8.360 0.000 0.000 0.410 160 L N 4.598 125.840 121.223 0.033 0.000 2.264 160 L HA 0.434 4.775 4.340 0.001 0.000 0.289 160 L C -0.720 176.238 176.870 0.146 0.000 1.044 160 L CA -0.373 54.503 54.840 0.059 0.000 0.807 160 L CB 1.112 43.279 42.059 0.180 0.000 1.192 160 L HN 0.684 8.914 8.230 0.000 0.000 0.425 161 E N 4.559 124.757 120.200 -0.002 0.000 2.176 161 E HA 0.145 4.495 4.350 0.001 0.000 0.267 161 E C -0.937 175.469 176.600 -0.323 0.000 0.893 161 E CA -0.818 55.530 56.400 -0.088 0.000 0.761 161 E CB 1.276 30.942 29.700 -0.056 0.000 1.133 161 E HN 0.521 8.881 8.360 0.000 0.000 0.409 162 N N 5.383 123.685 118.700 -0.663 0.000 2.399 162 N HA 0.003 4.744 4.740 0.001 0.000 0.259 162 N C 0.533 175.842 175.510 -0.335 0.000 1.160 162 N CA -0.137 52.460 53.050 -0.755 0.000 0.946 162 N CB 0.701 38.463 38.487 -1.209 0.000 1.156 162 N HN 0.566 8.946 8.380 0.000 0.000 0.489 163 L N 3.222 124.309 121.223 -0.226 0.000 2.275 163 L HA -0.049 4.292 4.340 0.001 0.000 0.215 163 L C 2.029 178.839 176.870 -0.100 0.000 1.119 163 L CA 1.281 56.046 54.840 -0.126 0.000 0.790 163 L CB -1.004 41.002 42.059 -0.090 0.000 0.919 163 L HN 0.539 8.769 8.230 0.000 0.000 0.443 164 T N -1.687 112.794 114.554 -0.122 0.000 2.942 164 T HA -0.086 4.265 4.350 0.001 0.000 0.265 164 T C 1.660 176.330 174.700 -0.050 0.000 1.062 164 T CA 1.637 63.693 62.100 -0.074 0.000 1.139 164 T CB -0.047 68.779 68.868 -0.071 0.000 0.883 164 T HN 0.540 8.780 8.240 0.000 0.000 0.468 165 T N -1.460 113.056 114.554 -0.063 0.000 2.971 165 T HA 0.197 4.548 4.350 0.001 0.000 0.252 165 T C 0.873 175.573 174.700 0.001 0.000 1.022 165 T CA -0.073 62.023 62.100 -0.007 0.000 0.980 165 T CB 0.078 68.973 68.868 0.045 0.000 1.044 165 T HN 0.310 8.550 8.240 0.000 0.000 0.501 166 Q N 0.213 119.994 119.800 -0.033 0.000 2.416 166 Q HA -0.182 4.159 4.340 0.001 0.000 0.235 166 Q C -0.138 175.881 176.000 0.032 0.000 0.773 166 Q CA 0.921 56.716 55.803 -0.013 0.000 1.286 166 Q CB -1.676 27.061 28.738 -0.002 0.000 1.556 166 Q HN 0.812 9.082 8.270 0.000 0.000 0.650 167 E N 1.485 121.728 120.200 0.073 0.000 2.360 167 E HA 0.221 4.572 4.350 0.001 0.000 0.269 167 E C 0.036 176.795 176.600 0.266 0.000 1.022 167 E CA 0.675 57.199 56.400 0.206 0.000 0.887 167 E CB 0.709 30.634 29.700 0.375 0.000 0.990 167 E HN 0.225 8.585 8.360 0.000 0.000 0.426 168 T N 1.980 116.692 114.554 0.262 0.000 2.893 168 T HA 0.668 5.019 4.350 0.001 0.000 0.291 168 T C -0.340 174.508 174.700 0.248 0.000 1.028 168 T CA -1.024 61.228 62.100 0.253 0.000 0.995 168 T CB 1.521 70.461 68.868 0.120 0.000 1.051 168 T HN 0.446 8.686 8.240 0.000 0.000 0.470 169 R N 0.636 121.287 120.500 0.251 0.000 2.771 169 R HA 0.478 4.819 4.340 0.001 0.000 0.274 169 R C -0.929 175.420 176.300 0.081 0.000 0.987 169 R CA -0.918 55.248 56.100 0.111 0.000 0.908 169 R CB 2.360 32.665 30.300 0.009 0.000 1.213 169 R HN 0.831 9.101 8.270 0.000 0.000 0.468 170 E N 3.297 123.517 120.200 0.034 0.000 2.194 170 E HA 0.186 4.537 4.350 0.001 0.000 0.284 170 E C -0.619 175.992 176.600 0.019 0.000 1.035 170 E CA -0.459 55.955 56.400 0.023 0.000 0.836 170 E CB 0.700 30.406 29.700 0.009 0.000 1.070 170 E HN 0.280 8.640 8.360 0.000 0.000 0.401 171 I N 5.078 125.678 120.570 0.048 0.000 2.404 171 I HA 0.231 4.401 4.170 0.001 0.000 0.293 171 I C -0.416 175.739 176.117 0.064 0.000 0.992 171 I CA -0.995 60.362 61.300 0.095 0.000 1.149 171 I CB 1.053 39.189 38.000 0.227 0.000 1.315 171 I HN 0.536 8.746 8.210 0.000 0.000 0.446 172 L N 6.167 127.415 121.223 0.042 0.000 2.289 172 L HA 0.342 4.682 4.340 0.001 0.000 0.285 172 L C 0.187 176.982 176.870 -0.126 0.000 1.049 172 L CA -0.142 54.627 54.840 -0.120 0.000 0.804 172 L CB 0.250 42.225 42.059 -0.140 0.000 1.195 172 L HN 0.448 8.678 8.230 0.000 0.000 0.428 173 H N 4.441 123.277 119.070 -0.390 0.000 2.551 173 H HA 0.347 4.904 4.556 0.001 0.000 0.321 173 H C -1.456 173.632 175.328 -0.400 0.000 1.028 173 H CA -0.521 55.380 56.048 -0.245 0.000 1.215 173 H CB 0.752 30.387 29.762 -0.212 0.000 1.414 173 H HN 0.369 8.649 8.280 0.000 0.000 0.480 174 F N 4.637 124.429 119.950 -0.264 0.000 2.332 174 F HA 0.187 4.715 4.527 0.001 0.000 0.368 174 F C 0.406 176.227 175.800 0.036 0.000 1.110 174 F CA -0.583 57.366 58.000 -0.084 0.000 1.087 174 F CB 0.756 39.647 39.000 -0.182 0.000 1.235 174 F HN 0.544 8.844 8.300 0.000 0.000 0.470 175 H N 4.194 123.344 119.070 0.133 0.000 2.673 175 H HA 0.214 4.770 4.556 0.001 0.000 0.293 175 H C -1.318 174.111 175.328 0.167 0.000 1.065 175 H CA -0.797 55.261 56.048 0.016 0.000 1.236 175 H CB 0.649 30.351 29.762 -0.099 0.000 1.389 175 H HN 0.717 8.997 8.280 0.000 0.000 0.481 176 Y N 5.024 125.346 120.300 0.037 0.000 2.486 176 Y HA -0.015 4.536 4.550 0.001 0.000 0.348 176 Y C 1.189 177.058 175.900 -0.052 0.000 1.000 176 Y CA 0.123 58.079 58.100 -0.239 0.000 1.253 176 Y CB 0.849 38.948 38.460 -0.601 0.000 1.140 176 Y HN 0.707 8.987 8.280 0.000 0.000 0.526 177 T N -1.752 112.863 114.554 0.103 0.000 3.069 177 T HA -0.010 4.340 4.350 0.001 0.000 0.252 177 T C 0.896 175.726 174.700 0.215 0.000 1.053 177 T CA 0.588 62.713 62.100 0.041 0.000 0.964 177 T CB -0.108 68.663 68.868 -0.162 0.000 1.005 177 T HN 0.652 8.892 8.240 0.000 0.000 0.532 178 T N -2.642 112.159 114.554 0.412 0.000 3.252 178 T HA 0.249 4.599 4.350 0.001 0.000 0.286 178 T C -0.521 174.400 174.700 0.369 0.000 1.013 178 T CA -0.786 61.518 62.100 0.340 0.000 0.914 178 T CB -0.313 68.726 68.868 0.286 0.000 1.131 178 T HN 0.370 8.610 8.240 0.000 0.000 0.529 179 W N 4.217 125.582 121.300 0.108 0.000 2.311 179 W HA 0.508 5.169 4.660 0.002 0.000 0.317 179 W C -3.079 173.377 176.519 -0.104 0.000 1.065 179 W CA -3.475 53.776 57.345 -0.158 0.000 1.364 179 W CB 0.985 30.142 29.460 -0.505 0.000 1.233 179 W HN 0.065 8.245 8.180 0.000 0.000 0.409 180 P HA -0.031 4.389 4.420 0.000 0.000 0.268 180 P C 0.049 177.421 177.300 0.120 0.000 1.204 180 P CA 0.440 63.645 63.100 0.176 0.000 0.768 180 P CB 0.651 32.428 31.700 0.128 0.000 0.842 181 D N 3.241 123.671 120.400 0.052 0.000 2.506 181 D HA -0.133 4.508 4.640 0.001 0.000 0.234 181 D C 0.175 176.548 176.300 0.122 0.000 1.143 181 D CA -0.061 53.923 54.000 -0.026 0.000 0.871 181 D CB -0.017 40.824 40.800 0.069 0.000 1.190 181 D HN 0.380 8.750 8.370 0.000 0.000 0.459 182 F N -0.365 119.543 119.950 -0.070 0.000 3.079 182 F HA -0.213 4.314 4.527 0.001 0.000 0.285 182 F C 1.275 177.058 175.800 -0.029 0.000 0.819 182 F CA 1.172 59.138 58.000 -0.058 0.000 1.067 182 F CB -1.502 37.468 39.000 -0.051 0.000 1.263 182 F HN 0.675 8.975 8.300 0.000 0.000 0.458 183 G N -0.793 108.079 108.800 0.120 0.000 3.175 183 G HA2 0.772 4.733 3.960 0.001 0.000 0.255 183 G HA3 0.772 4.733 3.960 0.001 0.000 0.255 183 G C -0.703 174.284 174.900 0.146 0.000 1.352 183 G CA -0.123 45.042 45.100 0.108 0.000 1.037 183 G HN 0.636 8.926 8.290 0.000 0.000 0.556 184 V N -3.141 116.707 119.914 -0.109 0.000 3.074 184 V HA 0.783 4.904 4.120 0.001 0.000 0.314 184 V C -2.777 172.723 176.094 -0.991 0.000 1.117 184 V CA -2.516 59.431 62.300 -0.588 0.000 1.014 184 V CB 1.657 33.095 31.823 -0.643 0.000 1.057 184 V HN 0.535 8.725 8.190 0.000 0.000 0.438 185 P HA 0.141 4.561 4.420 0.000 0.000 0.271 185 P C 0.808 177.766 177.300 -0.569 0.000 1.233 185 P CA 0.084 62.473 63.100 -1.185 0.000 0.789 185 P CB 0.555 31.540 31.700 -1.191 0.000 0.951 186 E N 0.627 120.661 120.200 -0.277 0.000 2.118 186 E HA -0.128 4.222 4.350 0.001 0.000 0.195 186 E C -0.083 176.477 176.600 -0.068 0.000 0.992 186 E CA 1.118 57.432 56.400 -0.144 0.000 0.804 186 E CB 0.088 29.715 29.700 -0.121 0.000 0.741 186 E HN 0.528 8.888 8.360 0.000 0.000 0.458 187 S N -2.430 113.260 115.700 -0.016 0.000 2.588 187 S HA 0.292 4.762 4.470 0.001 0.000 0.269 187 S C -2.531 172.180 174.600 0.185 0.000 1.157 187 S CA -1.231 57.018 58.200 0.081 0.000 0.824 187 S CB 1.743 64.936 63.200 -0.012 0.000 1.126 187 S HN -0.223 8.087 8.310 0.000 0.000 0.464 188 P HA -0.062 4.358 4.420 0.000 0.000 0.216 188 P C 1.661 178.840 177.300 -0.203 0.000 1.153 188 P CA 2.326 65.310 63.100 -0.192 0.000 0.858 188 P CB -0.223 31.258 31.700 -0.366 0.000 0.789 189 A N 0.154 122.853 122.820 -0.202 0.000 1.883 189 A HA -0.235 4.086 4.320 0.001 0.000 0.217 189 A C 2.465 179.972 177.584 -0.128 0.000 1.186 189 A CA 2.724 54.616 52.037 -0.241 0.000 0.624 189 A CB -1.713 17.284 19.000 -0.004 0.000 0.822 189 A HN 0.353 8.503 8.150 0.000 0.000 0.444 190 S N -1.361 114.300 115.700 -0.065 0.000 2.383 190 S HA -0.150 4.321 4.470 0.001 0.000 0.227 190 S C 1.861 176.563 174.600 0.169 0.000 1.026 190 S CA 1.400 59.559 58.200 -0.068 0.000 0.981 190 S CB -0.695 62.266 63.200 -0.397 0.000 0.818 190 S HN 0.578 8.888 8.310 0.000 0.000 0.472 191 F N 2.271 122.262 119.950 0.068 0.000 2.102 191 F HA 0.124 4.652 4.527 0.001 0.000 0.298 191 F C 1.882 177.755 175.800 0.123 0.000 1.105 191 F CA 1.362 59.463 58.000 0.169 0.000 1.239 191 F CB -0.381 38.699 39.000 0.134 0.000 0.991 191 F HN 0.166 8.466 8.300 0.000 0.000 0.474 192 L N 0.208 121.300 121.223 -0.219 0.000 2.156 192 L HA -0.180 4.160 4.340 0.001 0.000 0.208 192 L C 2.199 178.874 176.870 -0.324 0.000 1.095 192 L CA 1.420 55.946 54.840 -0.525 0.000 0.770 192 L CB -0.889 40.403 42.059 -1.277 0.000 0.914 192 L HN 0.247 8.477 8.230 0.000 0.000 0.439 193 N N 0.401 119.017 118.700 -0.141 0.000 2.104 193 N HA -0.283 4.457 4.740 0.001 0.000 0.190 193 N C 1.781 177.294 175.510 0.005 0.000 1.024 193 N CA 1.512 54.600 53.050 0.063 0.000 0.853 193 N CB -0.221 38.385 38.487 0.199 0.000 1.008 193 N HN 0.253 8.633 8.380 0.000 0.000 0.424 194 F N 0.309 120.143 119.950 -0.193 0.000 2.113 194 F HA -0.037 4.491 4.527 0.001 0.000 0.297 194 F C 1.987 177.644 175.800 -0.239 0.000 1.103 194 F CA 0.844 58.626 58.000 -0.364 0.000 1.248 194 F CB -0.544 38.322 39.000 -0.225 0.000 0.999 194 F HN 0.156 8.456 8.300 0.000 0.000 0.475 195 L N -0.355 120.765 121.223 -0.173 0.000 2.079 195 L HA -0.195 4.146 4.340 0.001 0.000 0.210 195 L C 1.942 178.686 176.870 -0.210 0.000 1.081 195 L CA 1.893 56.583 54.840 -0.250 0.000 0.752 195 L CB -1.238 40.551 42.059 -0.449 0.000 0.896 195 L HN 0.125 8.355 8.230 0.000 0.000 0.433 196 F N -0.223 119.541 119.950 -0.310 0.000 2.325 196 F HA -0.084 4.443 4.527 0.001 0.000 0.299 196 F C 2.366 178.019 175.800 -0.245 0.000 1.090 196 F CA 0.851 58.709 58.000 -0.236 0.000 1.392 196 F CB -0.527 38.384 39.000 -0.149 0.000 1.053 196 F HN 0.028 8.328 8.300 0.000 0.000 0.521 197 K N 0.200 120.503 120.400 -0.162 0.000 2.026 197 K HA -0.107 4.213 4.320 0.001 0.000 0.208 197 K C 2.223 178.599 176.600 -0.373 0.000 1.048 197 K CA 1.204 57.364 56.287 -0.210 0.000 0.929 197 K CB -0.818 31.503 32.500 -0.298 0.000 0.713 197 K HN 0.136 8.386 8.250 0.000 0.000 0.439 198 V N 1.303 120.776 119.914 -0.734 0.000 2.295 198 V HA -0.242 3.879 4.120 0.001 0.000 0.246 198 V C 2.465 178.260 176.094 -0.498 0.000 1.049 198 V CA 1.672 63.355 62.300 -1.029 0.000 1.024 198 V CB -0.464 30.828 31.823 -0.885 0.000 0.648 198 V HN 0.308 8.498 8.190 0.000 0.000 0.447 199 R N 0.018 120.291 120.500 -0.379 0.000 2.083 199 R HA -0.179 4.162 4.340 0.001 0.000 0.237 199 R C 2.257 178.439 176.300 -0.196 0.000 1.137 199 R CA 1.797 57.715 56.100 -0.303 0.000 0.951 199 R CB -0.347 29.672 30.300 -0.468 0.000 0.851 199 R HN 0.618 8.888 8.270 0.000 0.000 0.434 200 E N 0.347 120.451 120.200 -0.160 0.000 2.338 200 E HA -0.112 4.238 4.350 0.001 0.000 0.197 200 E C 1.852 178.450 176.600 -0.003 0.000 1.007 200 E CA 1.201 57.567 56.400 -0.057 0.000 0.849 200 E CB 0.058 29.752 29.700 -0.010 0.000 0.774 200 E HN 0.354 8.714 8.360 0.000 0.000 0.506 201 S N -0.492 115.211 115.700 0.005 0.000 2.481 201 S HA 0.014 4.485 4.470 0.001 0.000 0.231 201 S C 1.773 176.424 174.600 0.086 0.000 0.996 201 S CA 0.678 58.937 58.200 0.100 0.000 0.942 201 S CB 0.068 63.435 63.200 0.278 0.000 0.768 201 S HN 0.373 8.683 8.310 0.000 0.000 0.520 202 G N 0.445 109.272 108.800 0.046 0.000 2.176 202 G HA2 -0.314 3.646 3.960 0.001 0.000 0.253 202 G HA3 -0.314 3.646 3.960 0.001 0.000 0.253 202 G C 0.988 175.980 174.900 0.154 0.000 0.979 202 G CA 0.498 45.653 45.100 0.091 0.000 0.641 202 G HN 0.603 8.893 8.290 0.000 0.000 0.530 203 S N -0.152 115.597 115.700 0.082 0.000 2.442 203 S HA 0.049 4.520 4.470 0.001 0.000 0.236 203 S C 2.049 176.696 174.600 0.078 0.000 1.007 203 S CA 1.309 59.550 58.200 0.067 0.000 0.965 203 S CB -0.137 63.103 63.200 0.067 0.000 0.773 203 S HN 0.542 8.852 8.310 0.000 0.000 0.504 204 L N 0.945 122.182 121.223 0.024 0.000 2.592 204 L HA 0.203 4.543 4.340 0.001 0.000 0.227 204 L C 1.111 177.963 176.870 -0.030 0.000 1.127 204 L CA -0.251 54.575 54.840 -0.025 0.000 0.884 204 L CB -0.219 41.797 42.059 -0.072 0.000 1.065 204 L HN 0.142 8.372 8.230 0.000 0.000 0.457 205 S N 1.254 116.967 115.700 0.021 0.000 2.558 205 S HA 0.049 4.520 4.470 0.001 0.000 0.291 205 S C -1.295 173.245 174.600 -0.101 0.000 1.306 205 S CA -0.953 57.212 58.200 -0.060 0.000 1.056 205 S CB 0.800 63.929 63.200 -0.117 0.000 0.836 205 S HN 0.005 8.315 8.310 0.000 0.000 0.504 206 P HA 0.021 4.441 4.420 0.000 0.000 0.230 206 P C 0.858 178.074 177.300 -0.141 0.000 1.158 206 P CA 0.531 63.562 63.100 -0.115 0.000 0.769 206 P CB 0.092 31.733 31.700 -0.099 0.000 0.807 207 E N -1.140 118.924 120.200 -0.226 0.000 2.268 207 E HA -0.090 4.261 4.350 0.001 0.000 0.195 207 E C 0.656 177.070 176.600 -0.309 0.000 0.995 207 E CA 0.920 57.149 56.400 -0.284 0.000 0.836 207 E CB -0.409 29.075 29.700 -0.360 0.000 0.763 207 E HN 0.495 8.855 8.360 0.000 0.000 0.491 208 H N -0.571 118.462 119.070 -0.062 0.000 2.517 208 H HA 0.427 4.983 4.556 0.001 0.000 0.346 208 H C 0.819 176.099 175.328 -0.081 0.000 1.222 208 H CA -0.234 55.773 56.048 -0.068 0.000 1.314 208 H CB 0.358 30.088 29.762 -0.055 0.000 1.609 208 H HN -0.003 8.277 8.280 0.000 0.000 0.571 209 G N 0.418 109.253 108.800 0.058 0.000 2.683 209 G HA2 0.192 4.153 3.960 0.001 0.000 0.260 209 G HA3 0.192 4.153 3.960 0.001 0.000 0.260 209 G C -2.359 172.526 174.900 -0.025 0.000 1.238 209 G CA -0.916 44.173 45.100 -0.018 0.000 0.934 209 G HN 0.340 8.630 8.290 0.000 0.000 0.534 210 P HA 0.139 4.559 4.420 0.000 0.000 0.268 210 P C 0.265 177.538 177.300 -0.044 0.000 1.204 210 P CA -0.431 62.620 63.100 -0.083 0.000 0.768 210 P CB 1.023 32.670 31.700 -0.089 0.000 0.842 211 V N 4.937 124.838 119.914 -0.021 0.000 2.763 211 V HA -0.014 4.107 4.120 0.001 0.000 0.306 211 V C -0.069 176.060 176.094 0.059 0.000 1.059 211 V CA 0.183 62.508 62.300 0.042 0.000 1.138 211 V CB 0.566 32.447 31.823 0.097 0.000 0.940 211 V HN 0.178 8.368 8.190 0.000 0.000 0.489 212 V N 7.358 127.293 119.914 0.036 0.000 2.432 212 V HA 0.377 4.498 4.120 0.001 0.000 0.275 212 V C -0.041 176.099 176.094 0.076 0.000 1.043 212 V CA -0.235 62.076 62.300 0.017 0.000 0.925 212 V CB 1.470 33.233 31.823 -0.100 0.000 0.985 212 V HN 0.679 8.869 8.190 0.000 0.000 0.466 213 V N 5.709 125.666 119.914 0.071 0.000 2.487 213 V HA 0.617 4.738 4.120 0.001 0.000 0.298 213 V C -0.558 175.559 176.094 0.038 0.000 1.028 213 V CA -0.616 61.680 62.300 -0.007 0.000 0.860 213 V CB 1.632 33.443 31.823 -0.020 0.000 0.991 213 V HN 1.171 9.361 8.190 0.000 0.000 0.427 214 H N 2.279 121.298 119.070 -0.085 0.000 3.016 214 H HA 0.846 5.403 4.556 0.002 0.000 0.362 214 H C -0.212 175.037 175.328 -0.132 0.000 1.233 214 H CA -0.345 55.651 56.048 -0.088 0.000 1.124 214 H CB 1.532 31.262 29.762 -0.053 0.000 1.850 214 H HN 0.725 9.005 8.280 0.000 0.000 0.549 215 C N 0.076 119.339 119.300 -0.062 0.000 4.131 215 C HA 0.611 5.072 4.460 0.001 0.000 0.187 215 C C 1.979 177.038 174.990 0.114 0.000 3.211 215 C CA 0.222 59.170 59.018 -0.117 0.000 1.865 215 C CB 0.854 28.425 27.740 -0.282 0.000 3.975 215 C HN 0.831 9.061 8.230 0.000 0.000 0.468 216 S N 0.298 116.022 115.700 0.040 0.000 2.356 216 S HA 0.179 4.650 4.470 0.001 0.000 0.219 216 S C 1.855 176.593 174.600 0.229 0.000 1.036 216 S CA 1.386 59.675 58.200 0.149 0.000 0.965 216 S CB -0.684 62.625 63.200 0.181 0.000 0.864 216 S HN 1.017 9.327 8.310 0.000 0.000 0.471 217 A N -0.428 122.486 122.820 0.157 0.000 2.147 217 A HA 0.516 4.837 4.320 0.001 0.000 0.211 217 A C 1.551 179.162 177.584 0.046 0.000 1.160 217 A CA 0.895 53.032 52.037 0.168 0.000 0.781 217 A CB -0.737 18.218 19.000 -0.075 0.000 0.842 217 A HN 1.354 9.504 8.150 0.000 0.000 0.475 218 G N -0.170 108.623 108.800 -0.011 0.000 2.160 218 G HA2 -0.277 3.684 3.960 0.001 0.000 0.244 218 G HA3 -0.277 3.684 3.960 0.001 0.000 0.244 218 G C 0.632 175.495 174.900 -0.062 0.000 1.022 218 G CA 0.857 45.941 45.100 -0.027 0.000 0.741 218 G HN 1.342 9.632 8.290 0.000 0.000 0.508 219 I N -5.010 115.497 120.570 -0.105 0.000 4.578 219 I HA 0.455 4.626 4.170 0.001 0.000 0.312 219 I C 1.858 177.902 176.117 -0.122 0.000 1.224 219 I CA 0.828 62.072 61.300 -0.092 0.000 1.318 219 I CB -0.340 37.619 38.000 -0.069 0.000 1.388 219 I HN 0.067 8.277 8.210 0.000 0.000 0.461 220 G N 1.771 110.443 108.800 -0.214 0.000 2.607 220 G HA2 0.009 3.970 3.960 0.001 0.000 0.215 220 G HA3 0.009 3.970 3.960 0.001 0.000 0.215 220 G C 1.592 176.314 174.900 -0.296 0.000 1.275 220 G CA 0.510 45.459 45.100 -0.253 0.000 0.842 220 G HN 0.174 8.464 8.290 0.000 0.000 0.555 221 R N 0.361 120.551 120.500 -0.516 0.000 2.091 221 R HA -0.045 4.296 4.340 0.001 0.000 0.238 221 R C 3.027 178.990 176.300 -0.561 0.000 1.136 221 R CA 1.540 57.111 56.100 -0.881 0.000 0.959 221 R CB -0.435 29.003 30.300 -1.437 0.000 0.856 221 R HN 0.298 8.568 8.270 0.000 0.000 0.437 222 S N -0.098 115.381 115.700 -0.367 0.000 2.370 222 S HA -0.127 4.343 4.470 0.001 0.000 0.226 222 S C 2.015 176.588 174.600 -0.045 0.000 1.033 222 S CA 1.395 59.489 58.200 -0.177 0.000 1.011 222 S CB -0.448 62.668 63.200 -0.139 0.000 0.852 222 S HN 0.645 8.955 8.310 0.000 0.000 0.457 223 G N 1.087 109.849 108.800 -0.062 0.000 2.408 223 G HA2 -0.170 3.791 3.960 0.001 0.000 0.217 223 G HA3 -0.170 3.791 3.960 0.001 0.000 0.217 223 G C 1.446 176.368 174.900 0.037 0.000 1.150 223 G CA 1.435 46.531 45.100 -0.008 0.000 0.776 223 G HN 0.496 8.786 8.290 0.000 0.000 0.542 224 T N 0.788 115.378 114.554 0.059 0.000 2.708 224 T HA -0.123 4.227 4.350 0.001 0.000 0.266 224 T C 1.932 176.768 174.700 0.226 0.000 1.037 224 T CA 1.123 63.308 62.100 0.143 0.000 1.146 224 T CB -0.335 68.682 68.868 0.249 0.000 0.865 224 T HN 0.253 8.493 8.240 0.000 0.000 0.435 225 F N 1.479 121.556 119.950 0.213 0.000 2.095 225 F HA -0.210 4.318 4.527 0.001 0.000 0.298 225 F C 2.425 178.317 175.800 0.154 0.000 1.104 225 F CA 1.069 59.302 58.000 0.388 0.000 1.232 225 F CB -0.661 38.533 39.000 0.324 0.000 0.987 225 F HN 0.168 8.468 8.300 0.000 0.000 0.475 226 C N -0.004 119.339 119.300 0.071 0.000 2.446 226 C HA -0.094 4.367 4.460 0.001 0.000 0.277 226 C C 2.618 177.458 174.990 -0.249 0.000 1.275 226 C CA 0.680 59.484 59.018 -0.355 0.000 1.727 226 C CB -1.424 25.955 27.740 -0.602 0.000 2.010 226 C HN 0.654 8.884 8.230 0.000 0.000 0.486 227 L N 2.205 123.374 121.223 -0.090 0.000 1.989 227 L HA -0.105 4.235 4.340 0.001 0.000 0.211 227 L C 2.615 179.462 176.870 -0.038 0.000 1.071 227 L CA 2.504 57.323 54.840 -0.035 0.000 0.749 227 L CB -1.006 41.061 42.059 0.014 0.000 0.890 227 L HN 0.278 8.508 8.230 0.000 0.000 0.431 228 A N -0.872 121.928 122.820 -0.034 0.000 1.883 228 A HA -0.304 4.016 4.320 0.001 0.000 0.217 228 A C 2.106 179.683 177.584 -0.012 0.000 1.186 228 A CA 2.036 54.064 52.037 -0.015 0.000 0.624 228 A CB -1.122 17.904 19.000 0.042 0.000 0.822 228 A HN 0.616 8.766 8.150 0.000 0.000 0.444 229 D N -1.250 119.097 120.400 -0.088 0.000 2.097 229 D HA -0.109 4.532 4.640 0.001 0.000 0.195 229 D C 1.955 178.268 176.300 0.022 0.000 0.989 229 D CA 1.982 55.928 54.000 -0.089 0.000 0.827 229 D CB -0.167 40.528 40.800 -0.176 0.000 0.966 229 D HN 0.351 8.721 8.370 0.000 0.000 0.456 230 T N -0.943 113.647 114.554 0.060 0.000 2.777 230 T HA -0.152 4.198 4.350 0.001 0.000 0.266 230 T C 2.209 176.941 174.700 0.053 0.000 1.040 230 T CA 1.189 63.353 62.100 0.107 0.000 1.141 230 T CB -0.652 68.293 68.868 0.128 0.000 0.868 230 T HN 0.296 8.536 8.240 0.000 0.000 0.444 231 C N 1.011 120.325 119.300 0.023 0.000 2.413 231 C HA 0.020 4.481 4.460 0.001 0.000 0.276 231 C C 2.705 177.708 174.990 0.021 0.000 1.248 231 C CA 0.461 59.484 59.018 0.009 0.000 1.742 231 C CB -1.396 26.327 27.740 -0.029 0.000 2.017 231 C HN 0.516 8.746 8.230 0.000 0.000 0.481 232 L N 0.027 121.269 121.223 0.031 0.000 2.083 232 L HA -0.141 4.199 4.340 0.001 0.000 0.209 232 L C 2.509 179.412 176.870 0.054 0.000 1.083 232 L CA 0.949 55.825 54.840 0.061 0.000 0.752 232 L CB -0.632 41.479 42.059 0.088 0.000 0.899 232 L HN 0.328 8.557 8.230 0.000 0.000 0.433 233 L N -0.327 120.916 121.223 0.034 0.000 2.056 233 L HA -0.173 4.168 4.340 0.001 0.000 0.207 233 L C 2.282 179.168 176.870 0.027 0.000 1.078 233 L CA 1.642 56.496 54.840 0.024 0.000 0.749 233 L CB -0.359 41.710 42.059 0.016 0.000 0.901 233 L HN 0.085 8.315 8.230 0.000 0.000 0.433 234 L N -1.131 120.110 121.223 0.032 0.000 2.017 234 L HA -0.260 4.081 4.340 0.001 0.000 0.208 234 L C 2.672 179.559 176.870 0.027 0.000 1.073 234 L CA 2.021 56.878 54.840 0.029 0.000 0.745 234 L CB -0.522 41.556 42.059 0.032 0.000 0.894 234 L HN 0.423 8.653 8.230 0.000 0.000 0.432 235 M N -0.333 119.286 119.600 0.032 0.000 2.149 235 M HA -0.260 4.221 4.480 0.001 0.000 0.261 235 M C 1.826 178.148 176.300 0.037 0.000 1.064 235 M CA 2.000 57.321 55.300 0.035 0.000 1.102 235 M CB -0.184 32.442 32.600 0.043 0.000 1.369 235 M HN 0.187 8.477 8.290 0.000 0.000 0.408 236 D N 0.405 120.831 120.400 0.043 0.000 2.097 236 D HA -0.185 4.456 4.640 0.001 0.000 0.197 236 D C 1.861 178.174 176.300 0.022 0.000 0.984 236 D CA 1.345 55.369 54.000 0.041 0.000 0.826 236 D CB -0.078 40.753 40.800 0.052 0.000 0.973 236 D HN 0.231 8.601 8.370 0.000 0.000 0.460 237 K N 0.529 120.939 120.400 0.017 0.000 2.097 237 K HA -0.030 4.291 4.320 0.001 0.000 0.206 237 K C 1.881 178.486 176.600 0.008 0.000 1.049 237 K CA 1.218 57.510 56.287 0.009 0.000 0.933 237 K CB 0.012 32.516 32.500 0.007 0.000 0.717 237 K HN 0.056 8.306 8.250 0.000 0.000 0.442 238 R N 0.006 120.513 120.500 0.012 0.000 2.312 238 R HA 0.145 4.486 4.340 0.001 0.000 0.205 238 R C -0.201 176.105 176.300 0.009 0.000 0.904 238 R CA -0.065 56.041 56.100 0.011 0.000 1.052 238 R CB 0.349 30.658 30.300 0.014 0.000 1.014 238 R HN -0.053 8.217 8.270 0.000 0.000 0.503 239 K N 1.980 122.387 120.400 0.011 0.000 3.177 239 K HA -0.191 4.129 4.320 0.001 0.000 0.266 239 K C -0.820 175.787 176.600 0.011 0.000 0.937 239 K CA 0.966 57.258 56.287 0.008 0.000 0.702 239 K CB -1.348 31.151 32.500 -0.001 0.000 1.365 239 K HN 0.295 8.545 8.250 0.000 0.000 0.466 240 D N -1.025 119.385 120.400 0.017 0.000 2.411 240 D HA 0.261 4.901 4.640 0.001 0.000 0.239 240 D C -2.050 174.263 176.300 0.022 0.000 1.307 240 D CA -1.820 52.191 54.000 0.017 0.000 0.930 240 D CB 1.272 42.081 40.800 0.015 0.000 1.395 240 D HN -0.171 8.199 8.370 0.000 0.000 0.536 241 P HA -0.067 4.353 4.420 0.000 0.000 0.218 241 P C 1.188 178.503 177.300 0.025 0.000 1.148 241 P CA 0.745 63.861 63.100 0.027 0.000 0.822 241 P CB 0.415 32.134 31.700 0.031 0.000 0.784 242 S N -0.763 114.952 115.700 0.026 0.000 2.515 242 S HA -0.069 4.401 4.470 0.001 0.000 0.231 242 S C 1.776 176.392 174.600 0.027 0.000 0.987 242 S CA 1.232 59.450 58.200 0.029 0.000 0.936 242 S CB -0.787 62.429 63.200 0.027 0.000 0.766 242 S HN 0.309 8.619 8.310 0.000 0.000 0.528 243 S N 0.330 116.044 115.700 0.023 0.000 2.603 243 S HA 0.149 4.620 4.470 0.001 0.000 0.220 243 S C 0.406 175.020 174.600 0.023 0.000 0.967 243 S CA -0.302 57.912 58.200 0.023 0.000 0.920 243 S CB -0.115 63.097 63.200 0.021 0.000 0.773 243 S HN 0.113 8.423 8.310 0.000 0.000 0.529 244 V N 2.905 122.831 119.914 0.020 0.000 2.383 244 V HA 0.368 4.489 4.120 0.001 0.000 0.275 244 V C -0.456 175.643 176.094 0.008 0.000 1.036 244 V CA -0.692 61.616 62.300 0.012 0.000 0.889 244 V CB 1.315 33.139 31.823 0.002 0.000 0.985 244 V HN 0.311 8.501 8.190 0.000 0.000 0.459 245 D N 4.771 125.181 120.400 0.016 0.000 2.467 245 D HA 0.328 4.968 4.640 0.001 0.000 0.220 245 D C 1.068 177.374 176.300 0.010 0.000 1.103 245 D CA -0.242 53.773 54.000 0.025 0.000 0.886 245 D CB 1.016 41.841 40.800 0.042 0.000 1.025 245 D HN 0.435 8.805 8.370 0.000 0.000 0.514 246 I N 2.680 123.221 120.570 -0.048 0.000 2.163 246 I HA -0.301 3.870 4.170 0.001 0.000 0.243 246 I C 2.173 178.304 176.117 0.023 0.000 1.085 246 I CA 1.005 62.249 61.300 -0.092 0.000 1.347 246 I CB -0.006 37.770 38.000 -0.374 0.000 1.044 246 I HN 0.286 8.496 8.210 0.000 0.000 0.408 247 K N 0.715 121.172 120.400 0.095 0.000 2.097 247 K HA -0.192 4.128 4.320 0.001 0.000 0.205 247 K C 2.181 178.845 176.600 0.107 0.000 1.050 247 K CA 1.061 57.435 56.287 0.145 0.000 0.938 247 K CB -0.171 32.435 32.500 0.177 0.000 0.718 247 K HN 0.235 8.485 8.250 0.000 0.000 0.442 248 K N 1.179 121.630 120.400 0.085 0.000 2.057 248 K HA -0.116 4.204 4.320 0.001 0.000 0.207 248 K C 2.001 178.653 176.600 0.087 0.000 1.049 248 K CA 1.038 57.371 56.287 0.078 0.000 0.931 248 K CB 0.076 32.614 32.500 0.064 0.000 0.714 248 K HN -0.068 8.182 8.250 0.000 0.000 0.440 249 V N 1.634 121.594 119.914 0.077 0.000 2.343 249 V HA -0.251 3.870 4.120 0.001 0.000 0.247 249 V C 2.272 178.432 176.094 0.111 0.000 1.051 249 V CA 1.401 63.754 62.300 0.088 0.000 1.036 249 V CB -0.436 31.423 31.823 0.060 0.000 0.654 249 V HN 0.340 8.530 8.190 0.000 0.000 0.451 250 L N -0.322 120.965 121.223 0.106 0.000 2.046 250 L HA -0.141 4.199 4.340 0.001 0.000 0.208 250 L C 2.177 179.132 176.870 0.142 0.000 1.077 250 L CA 1.850 56.766 54.840 0.127 0.000 0.747 250 L CB -0.605 41.539 42.059 0.143 0.000 0.896 250 L HN 0.203 8.433 8.230 0.000 0.000 0.432 251 L N -0.759 120.540 121.223 0.127 0.000 2.046 251 L HA -0.203 4.138 4.340 0.001 0.000 0.208 251 L C 2.566 179.521 176.870 0.142 0.000 1.077 251 L CA 1.405 56.316 54.840 0.118 0.000 0.747 251 L CB -0.569 41.543 42.059 0.089 0.000 0.896 251 L HN 0.315 8.545 8.230 0.000 0.000 0.432 252 E N 0.589 120.882 120.200 0.155 0.000 2.049 252 E HA -0.276 4.075 4.350 0.001 0.000 0.198 252 E C 2.212 179.009 176.600 0.328 0.000 1.007 252 E CA 1.907 58.435 56.400 0.213 0.000 0.809 252 E CB -0.230 29.597 29.700 0.213 0.000 0.749 252 E HN 0.292 8.652 8.360 0.000 0.000 0.450 253 M N -0.356 119.435 119.600 0.319 0.000 2.106 253 M HA -0.179 4.302 4.480 0.001 0.000 0.259 253 M C 2.345 178.888 176.300 0.405 0.000 1.068 253 M CA 1.689 57.219 55.300 0.383 0.000 1.100 253 M CB -0.306 32.422 32.600 0.214 0.000 1.351 253 M HN 0.025 8.315 8.290 0.000 0.000 0.404 254 R N 0.273 120.944 120.500 0.285 0.000 2.328 254 R HA -0.066 4.274 4.340 0.001 0.000 0.207 254 R C 1.827 178.346 176.300 0.366 0.000 1.056 254 R CA 0.684 56.955 56.100 0.284 0.000 1.016 254 R CB -0.122 30.299 30.300 0.201 0.000 0.872 254 R HN 0.425 8.695 8.270 0.000 0.000 0.471 255 K N -0.537 120.016 120.400 0.256 0.000 2.283 255 K HA -0.105 4.215 4.320 0.001 0.000 0.202 255 K C 0.951 177.654 176.600 0.171 0.000 1.048 255 K CA 1.168 57.534 56.287 0.132 0.000 0.948 255 K CB 0.110 32.446 32.500 -0.274 0.000 0.742 255 K HN 0.163 8.413 8.250 0.000 0.000 0.458 256 F N -0.289 119.940 119.950 0.466 0.000 2.694 256 F HA 0.222 4.749 4.527 0.001 0.000 0.292 256 F C 0.708 176.636 175.800 0.214 0.000 1.121 256 F CA -0.344 57.855 58.000 0.332 0.000 1.352 256 F CB 0.630 39.735 39.000 0.176 0.000 1.107 256 F HN -0.223 8.077 8.300 0.000 0.000 0.597 257 R N 1.155 121.839 120.500 0.305 0.000 2.535 257 R HA 0.399 4.740 4.340 0.001 0.000 0.274 257 R C -0.712 175.530 176.300 -0.095 0.000 1.090 257 R CA -0.740 55.284 56.100 -0.127 0.000 0.930 257 R CB 1.392 31.666 30.300 -0.043 0.000 1.223 257 R HN 0.108 8.378 8.270 0.000 0.000 0.441 258 M N 2.205 121.564 119.600 -0.401 0.000 2.252 258 M HA 0.335 4.816 4.480 0.001 0.000 0.333 258 M C 0.885 177.183 176.300 -0.004 0.000 1.111 258 M CA 1.429 56.688 55.300 -0.068 0.000 1.140 258 M CB 0.623 33.162 32.600 -0.102 0.000 1.538 258 M HN 0.834 9.124 8.290 0.000 0.000 0.448 259 G N 2.168 111.006 108.800 0.063 0.000 2.162 259 G HA2 -0.225 3.736 3.960 0.001 0.000 0.260 259 G HA3 -0.225 3.736 3.960 0.001 0.000 0.260 259 G C -0.028 174.916 174.900 0.074 0.000 0.976 259 G CA 0.155 45.292 45.100 0.063 0.000 0.655 259 G HN 0.788 9.078 8.290 0.000 0.000 0.533 260 L N 0.890 122.161 121.223 0.079 0.000 2.584 260 L HA 0.321 4.662 4.340 0.001 0.000 0.272 260 L C 1.325 178.266 176.870 0.119 0.000 1.195 260 L CA 0.322 55.207 54.840 0.074 0.000 0.920 260 L CB -0.049 42.062 42.059 0.087 0.000 1.173 260 L HN 0.360 8.590 8.230 0.000 0.000 0.489 261 I N 2.664 123.280 120.570 0.076 0.000 8.263 261 I HA -0.237 3.933 4.170 0.001 0.000 0.126 261 I C 0.541 176.748 176.117 0.149 0.000 1.853 261 I CA 0.073 61.429 61.300 0.095 0.000 2.038 261 I CB -0.260 37.837 38.000 0.162 0.000 3.798 261 I HN 0.776 8.986 8.210 0.000 0.000 0.169 262 Q N 3.402 123.206 119.800 0.007 0.000 2.373 262 Q HA 0.125 4.466 4.340 0.001 0.000 0.210 262 Q C 0.808 176.785 176.000 -0.039 0.000 0.913 262 Q CA 1.910 57.738 55.803 0.042 0.000 0.911 262 Q CB 0.562 29.240 28.738 -0.099 0.000 1.040 262 Q HN 0.863 9.133 8.270 0.000 0.000 0.521 263 T N -4.803 109.563 114.554 -0.313 0.000 2.906 263 T HA 0.699 5.049 4.350 0.001 0.000 0.295 263 T C 0.787 174.988 174.700 -0.831 0.000 1.075 263 T CA -0.172 61.634 62.100 -0.489 0.000 1.005 263 T CB 1.542 70.322 68.868 -0.147 0.000 1.136 263 T HN -0.063 8.177 8.240 0.000 0.000 0.498 264 A N 0.791 123.196 122.820 -0.691 0.000 1.933 264 A HA -0.029 4.292 4.320 0.001 0.000 0.218 264 A C 1.892 179.331 177.584 -0.243 0.000 1.175 264 A CA 2.145 53.976 52.037 -0.344 0.000 0.628 264 A CB -1.188 17.810 19.000 -0.002 0.000 0.814 264 A HN 0.946 9.096 8.150 0.000 0.000 0.444 265 D N -0.938 119.328 120.400 -0.223 0.000 2.183 265 D HA -0.092 4.549 4.640 0.001 0.000 0.203 265 D C 2.163 178.366 176.300 -0.161 0.000 0.969 265 D CA 1.094 54.962 54.000 -0.220 0.000 0.842 265 D CB -0.139 40.577 40.800 -0.140 0.000 0.957 265 D HN 0.581 8.951 8.370 0.000 0.000 0.484 266 Q N -0.492 119.232 119.800 -0.127 0.000 2.084 266 Q HA -0.135 4.205 4.340 0.001 0.000 0.202 266 Q C 2.085 178.091 176.000 0.009 0.000 0.978 266 Q CA 0.801 56.583 55.803 -0.034 0.000 0.844 266 Q CB -0.112 28.606 28.738 -0.033 0.000 0.898 266 Q HN 0.285 8.555 8.270 0.000 0.000 0.426 267 L N 1.104 122.303 121.223 -0.039 0.000 1.989 267 L HA -0.215 4.126 4.340 0.001 0.000 0.211 267 L C 2.407 179.279 176.870 0.003 0.000 1.071 267 L CA 1.885 56.785 54.840 0.099 0.000 0.749 267 L CB -0.488 41.717 42.059 0.244 0.000 0.890 267 L HN 0.059 8.289 8.230 0.000 0.000 0.431 268 R N -1.451 118.771 120.500 -0.464 0.000 2.091 268 R HA -0.269 4.072 4.340 0.001 0.000 0.238 268 R C 2.394 178.564 176.300 -0.218 0.000 1.136 268 R CA 2.136 57.664 56.100 -0.954 0.000 0.959 268 R CB -0.679 28.736 30.300 -1.475 0.000 0.856 268 R HN 0.452 8.722 8.270 0.000 0.000 0.437 269 F N 1.087 120.886 119.950 -0.252 0.000 2.171 269 F HA -0.164 4.364 4.527 0.001 0.000 0.300 269 F C 2.221 177.911 175.800 -0.184 0.000 1.090 269 F CA 1.784 59.658 58.000 -0.209 0.000 1.293 269 F CB -0.169 38.670 39.000 -0.267 0.000 1.013 269 F HN -0.003 8.297 8.300 0.000 0.000 0.486 270 S N -0.482 115.213 115.700 -0.008 0.000 2.370 270 S HA -0.236 4.235 4.470 0.001 0.000 0.226 270 S C 1.732 176.275 174.600 -0.096 0.000 1.033 270 S CA 1.531 59.685 58.200 -0.077 0.000 1.011 270 S CB -0.710 62.516 63.200 0.042 0.000 0.852 270 S HN 0.471 8.781 8.310 0.000 0.000 0.457 271 Y N 1.151 121.405 120.300 -0.076 0.000 2.145 271 Y HA -0.102 4.448 4.550 0.001 0.000 0.286 271 Y C 2.223 177.979 175.900 -0.240 0.000 1.145 271 Y CA 0.747 58.846 58.100 -0.002 0.000 1.148 271 Y CB -0.622 38.055 38.460 0.361 0.000 0.981 271 Y HN 0.142 8.422 8.280 0.000 0.000 0.507 272 L N -0.409 120.670 121.223 -0.240 0.000 2.012 272 L HA -0.247 4.093 4.340 0.001 0.000 0.210 272 L C 2.500 179.077 176.870 -0.490 0.000 1.073 272 L CA 2.088 56.635 54.840 -0.490 0.000 0.748 272 L CB -1.611 40.086 42.059 -0.603 0.000 0.891 272 L HN 0.232 8.462 8.230 0.000 0.000 0.431 273 A N -1.524 120.920 122.820 -0.627 0.000 1.898 273 A HA -0.111 4.210 4.320 0.001 0.000 0.216 273 A C 2.361 179.803 177.584 -0.236 0.000 1.181 273 A CA 1.664 53.411 52.037 -0.483 0.000 0.620 273 A CB -0.774 17.897 19.000 -0.549 0.000 0.819 273 A HN 0.227 8.377 8.150 0.000 0.000 0.442 274 V N 0.275 120.076 119.914 -0.189 0.000 2.307 274 V HA -0.254 3.866 4.120 0.001 0.000 0.245 274 V C 2.419 178.475 176.094 -0.062 0.000 1.045 274 V CA 1.971 64.215 62.300 -0.093 0.000 1.024 274 V CB -0.717 31.040 31.823 -0.110 0.000 0.651 274 V HN 0.564 8.754 8.190 0.000 0.000 0.449 275 I N 0.209 120.719 120.570 -0.100 0.000 2.208 275 I HA -0.270 3.901 4.170 0.001 0.000 0.245 275 I C 2.630 178.727 176.117 -0.033 0.000 1.097 275 I CA 1.992 63.251 61.300 -0.069 0.000 1.363 275 I CB -0.307 37.617 38.000 -0.126 0.000 1.051 275 I HN 0.372 8.582 8.210 0.000 0.000 0.413 276 E N 1.340 121.496 120.200 -0.072 0.000 2.072 276 E HA -0.135 4.215 4.350 0.001 0.000 0.191 276 E C 2.182 178.887 176.600 0.176 0.000 0.985 276 E CA 1.581 57.994 56.400 0.021 0.000 0.801 276 E CB -0.543 29.111 29.700 -0.077 0.000 0.750 276 E HN 0.368 8.728 8.360 0.000 0.000 0.452 277 G N 0.352 109.199 108.800 0.078 0.000 2.450 277 G HA2 -0.260 3.701 3.960 0.001 0.000 0.220 277 G HA3 -0.260 3.701 3.960 0.001 0.000 0.220 277 G C 1.699 176.805 174.900 0.342 0.000 1.130 277 G CA 1.006 46.250 45.100 0.239 0.000 0.760 277 G HN 0.452 8.742 8.290 0.000 0.000 0.557 278 A N 0.904 123.841 122.820 0.196 0.000 2.032 278 A HA -0.098 4.223 4.320 0.001 0.000 0.221 278 A C 2.286 179.973 177.584 0.171 0.000 1.165 278 A CA 2.060 54.193 52.037 0.160 0.000 0.645 278 A CB -0.357 18.694 19.000 0.084 0.000 0.807 278 A HN 0.440 8.590 8.150 0.000 0.000 0.453 279 K N -1.607 118.910 120.400 0.195 0.000 2.032 279 K HA -0.154 4.166 4.320 0.001 0.000 0.209 279 K C 1.801 178.486 176.600 0.142 0.000 1.048 279 K CA 1.692 58.064 56.287 0.143 0.000 0.927 279 K CB -0.372 32.211 32.500 0.138 0.000 0.712 279 K HN 0.543 8.793 8.250 0.000 0.000 0.441 280 F N 1.951 121.967 119.950 0.111 0.000 2.113 280 F HA -0.190 4.337 4.527 0.001 0.000 0.297 280 F C 1.914 177.789 175.800 0.126 0.000 1.103 280 F CA 1.124 59.173 58.000 0.080 0.000 1.248 280 F CB -0.048 39.048 39.000 0.161 0.000 0.999 280 F HN -0.131 8.169 8.300 0.000 0.000 0.475 281 I N 0.440 121.185 120.570 0.292 0.000 2.248 281 I HA -0.296 3.874 4.170 0.001 0.000 0.248 281 I C 1.843 177.940 176.117 -0.034 0.000 1.107 281 I CA 1.417 62.799 61.300 0.137 0.000 1.373 281 I CB -1.234 36.877 38.000 0.186 0.000 1.055 281 I HN 0.279 8.489 8.210 0.000 0.000 0.418 282 M N -0.244 119.344 119.600 -0.020 0.000 2.530 282 M HA 0.249 4.729 4.480 0.001 0.000 0.231 282 M C 1.309 177.553 176.300 -0.093 0.000 1.180 282 M CA 0.406 55.681 55.300 -0.043 0.000 0.985 282 M CB -0.578 32.019 32.600 -0.005 0.000 1.623 282 M HN 0.438 8.728 8.290 0.000 0.000 0.475 283 G N 0.614 109.305 108.800 -0.182 0.000 2.168 283 G HA2 -0.177 3.783 3.960 0.001 0.000 0.197 283 G HA3 -0.177 3.783 3.960 0.001 0.000 0.197 283 G C -0.105 174.684 174.900 -0.186 0.000 0.997 283 G CA -0.118 44.859 45.100 -0.204 0.000 0.658 283 G HN 0.438 8.728 8.290 0.000 0.000 0.513 284 D N 1.158 121.459 120.400 -0.165 0.000 2.494 284 D HA 0.579 5.220 4.640 0.001 0.000 0.217 284 D C 1.487 177.704 176.300 -0.139 0.000 1.153 284 D CA 0.271 54.197 54.000 -0.122 0.000 0.954 284 D CB 0.417 41.172 40.800 -0.075 0.000 1.034 284 D HN 0.040 8.410 8.370 0.000 0.000 0.518 285 S N 0.926 116.540 115.700 -0.143 0.000 2.428 285 S HA -0.159 4.312 4.470 0.001 0.000 0.230 285 S C 2.072 176.656 174.600 -0.027 0.000 1.014 285 S CA 0.944 59.113 58.200 -0.051 0.000 0.957 285 S CB -0.035 63.136 63.200 -0.047 0.000 0.784 285 S HN 0.662 8.972 8.310 0.000 0.000 0.499 286 S N 2.317 117.963 115.700 -0.090 0.000 2.420 286 S HA -0.145 4.325 4.470 0.001 0.000 0.237 286 S C 2.009 176.458 174.600 -0.251 0.000 1.023 286 S CA 1.411 59.533 58.200 -0.130 0.000 0.991 286 S CB -0.953 62.186 63.200 -0.102 0.000 0.792 286 S HN 0.482 8.792 8.310 0.000 0.000 0.488 287 V N -0.282 119.418 119.914 -0.356 0.000 2.594 287 V HA -0.158 3.963 4.120 0.001 0.000 0.253 287 V C 2.682 178.017 176.094 -1.265 0.000 1.069 287 V CA 1.963 63.838 62.300 -0.709 0.000 1.082 287 V CB -1.527 29.862 31.823 -0.722 0.000 0.680 287 V HN 0.608 8.798 8.190 0.000 0.000 0.469 288 Q N 0.672 119.896 119.800 -0.960 0.000 2.084 288 Q HA -0.285 4.056 4.340 0.001 0.000 0.202 288 Q C 2.092 177.845 176.000 -0.412 0.000 0.978 288 Q CA 2.322 57.598 55.803 -0.879 0.000 0.844 288 Q CB -0.200 28.251 28.738 -0.478 0.000 0.898 288 Q HN 0.747 9.017 8.270 0.000 0.000 0.426 289 D N -0.631 119.608 120.400 -0.269 0.000 2.224 289 D HA -0.128 4.513 4.640 0.001 0.000 0.205 289 D C 1.782 178.010 176.300 -0.120 0.000 0.965 289 D CA 0.882 54.805 54.000 -0.129 0.000 0.852 289 D CB 0.213 40.966 40.800 -0.079 0.000 0.947 289 D HN 0.299 8.669 8.370 0.000 0.000 0.494 290 Q N -0.701 118.969 119.800 -0.217 0.000 2.050 290 Q HA -0.156 4.185 4.340 0.001 0.000 0.202 290 Q C 1.821 177.810 176.000 -0.018 0.000 0.980 290 Q CA 1.200 56.919 55.803 -0.141 0.000 0.840 290 Q CB -0.177 28.447 28.738 -0.190 0.000 0.898 290 Q HN 0.481 8.751 8.270 0.000 0.000 0.424 291 W N 1.367 122.608 121.300 -0.098 0.000 2.338 291 W HA -0.134 4.527 4.660 0.001 0.000 0.304 291 W C 2.100 178.573 176.519 -0.076 0.000 1.212 291 W CA 0.749 58.028 57.345 -0.110 0.000 1.264 291 W CB -0.944 28.415 29.460 -0.168 0.000 1.142 291 W HN 0.208 8.388 8.180 0.000 0.000 0.512 292 K N 0.543 121.043 120.400 0.167 0.000 2.032 292 K HA -0.214 4.106 4.320 0.001 0.000 0.209 292 K C 1.869 178.518 176.600 0.082 0.000 1.048 292 K CA 1.854 58.219 56.287 0.130 0.000 0.927 292 K CB -0.123 32.431 32.500 0.090 0.000 0.712 292 K HN -0.059 8.191 8.250 0.000 0.000 0.441 293 E N 0.575 120.797 120.200 0.038 0.000 2.031 293 E HA -0.184 4.166 4.350 0.001 0.000 0.193 293 E C 2.050 178.588 176.600 -0.102 0.000 0.994 293 E CA 0.966 57.373 56.400 0.013 0.000 0.800 293 E CB -0.231 29.479 29.700 0.015 0.000 0.752 293 E HN 0.222 8.582 8.360 0.000 0.000 0.447 294 L N 1.446 122.596 121.223 -0.121 0.000 2.265 294 L HA -0.137 4.203 4.340 0.001 0.000 0.215 294 L C 2.482 179.018 176.870 -0.556 0.000 1.117 294 L CA 1.585 56.253 54.840 -0.287 0.000 0.782 294 L CB -1.031 40.980 42.059 -0.081 0.000 0.914 294 L HN 0.108 8.338 8.230 0.000 0.000 0.441 295 S N -1.891 113.638 115.700 -0.286 0.000 2.470 295 S HA -0.111 4.359 4.470 0.001 0.000 0.225 295 S C 0.684 175.209 174.600 -0.126 0.000 1.006 295 S CA 0.343 58.421 58.200 -0.203 0.000 0.934 295 S CB -0.666 62.590 63.200 0.094 0.000 0.778 295 S HN 0.641 8.951 8.310 0.000 0.000 0.517 296 H N 0.910 120.043 119.070 0.104 0.000 2.826 296 H HA -0.117 4.440 4.556 0.001 0.000 0.306 296 H C 0.915 176.343 175.328 0.167 0.000 1.235 296 H CA 0.671 56.779 56.048 0.099 0.000 1.150 296 H CB -2.111 27.680 29.762 0.048 0.000 1.409 296 H HN 0.545 8.825 8.280 0.000 0.000 0.420 297 E N 0.320 120.701 120.200 0.302 0.000 2.114 297 E HA -0.177 4.174 4.350 0.001 0.000 0.199 297 E C 0.848 177.512 176.600 0.107 0.000 1.008 297 E CA 1.635 58.184 56.400 0.248 0.000 0.810 297 E CB 0.140 29.956 29.700 0.192 0.000 0.739 297 E HN 0.490 8.850 8.360 0.000 0.000 0.456 298 D N 0.000 120.464 120.400 0.107 0.000 6.856 298 D HA 0.000 4.641 4.640 0.001 0.000 0.175 298 D CA 0.000 54.032 54.000 0.053 0.000 0.868 298 D CB 0.000 40.831 40.800 0.051 0.000 0.688 298 D HN 0.000 8.370 8.370 0.000 0.000 0.683