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 2xq6_1_B DATA FIRST_RESID 7 DATA SEQUENCE PPPIADEPLT VNTGIYLIEC YSLDDKAETF KVNAFLSLSW KDRRLAFDPV DATA SEQUENCE RSGVRVKTYE PEAIWIPEIR FVNVENARDA DVVDISVSPD GTVQYLERFS DATA SEQUENCE ARVLSPLDFR RYPFDSQTLH IYLIVRSVDT RNIVLAVDLE KVGKNDDVFL DATA SEQUENCE TGWDIESFTA VVKPANFALE DRLESKLDYQ LRISRQYFSY IPNIILPMLF DATA SEQUENCE ILFISWTAFW STSYEANVTL VVSTLIAHIA FNILVETNLP KTPYMTYTGA DATA SEQUENCE IIFMIYLFYF VAVIEVTVQH YLKVESQPAR AASITRASRI AFPVVFLLAN DATA SEQUENCE IILAFLFFGF 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 7 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 7 P C 0.000 177.179 177.300 -0.202 0.000 1.155 7 P CA 0.000 63.137 63.100 0.062 0.000 0.800 7 P CB 0.000 31.757 31.700 0.096 0.000 0.726 8 P HA 0.188 4.608 4.420 -0.000 0.000 0.271 8 P C -2.351 174.440 177.300 -0.849 0.000 1.218 8 P CA -1.252 61.021 63.100 -1.378 0.000 0.780 8 P CB -0.233 30.952 31.700 -0.859 0.000 0.901 9 P HA 0.163 4.583 4.420 -0.000 0.000 0.269 9 P C 0.260 177.388 177.300 -0.287 0.000 1.263 9 P CA -0.000 62.852 63.100 -0.412 0.000 0.813 9 P CB -0.059 31.479 31.700 -0.270 0.000 0.868 10 I N 2.591 123.044 120.570 -0.195 0.000 2.948 10 I HA -0.013 4.164 4.170 0.012 0.000 0.284 10 I C 1.262 177.320 176.117 -0.099 0.000 1.181 10 I CA 0.291 61.510 61.300 -0.135 0.000 1.372 10 I CB -0.397 37.547 38.000 -0.093 0.000 1.443 10 I HN 0.357 8.567 8.210 -0.000 0.000 0.554 11 A N 5.784 128.544 122.820 -0.099 0.000 2.452 11 A HA 0.514 4.841 4.320 0.012 0.000 0.285 11 A C 0.503 178.058 177.584 -0.049 0.000 1.209 11 A CA -0.499 51.498 52.037 -0.067 0.000 0.940 11 A CB 0.741 19.698 19.000 -0.072 0.000 1.440 11 A HN 0.677 8.827 8.150 -0.000 0.000 0.480 12 D N -1.271 119.108 120.400 -0.035 0.000 2.489 12 D HA 0.211 4.858 4.640 0.012 0.000 0.231 12 D C -0.224 176.061 176.300 -0.026 0.000 1.114 12 D CA 0.410 54.394 54.000 -0.028 0.000 0.842 12 D CB 0.846 41.634 40.800 -0.020 0.000 1.133 12 D HN 0.430 8.800 8.370 -0.000 0.000 0.506 13 E N -0.002 120.183 120.200 -0.026 0.000 2.460 13 E HA 0.375 4.732 4.350 0.012 0.000 0.277 13 E C -2.655 173.930 176.600 -0.025 0.000 1.010 13 E CA -1.933 54.453 56.400 -0.023 0.000 0.838 13 E CB 0.723 30.414 29.700 -0.015 0.000 1.448 13 E HN -0.294 8.066 8.360 -0.000 0.000 0.462 14 P HA 0.011 4.431 4.420 -0.000 0.000 0.256 14 P C -0.251 177.044 177.300 -0.008 0.000 1.189 14 P CA -0.011 63.078 63.100 -0.019 0.000 0.808 14 P CB -0.196 31.496 31.700 -0.014 0.000 0.793 15 L N 4.441 125.656 121.223 -0.013 0.000 2.534 15 L HA 0.102 4.450 4.340 0.012 0.000 0.271 15 L C 0.189 177.085 176.870 0.044 0.000 1.178 15 L CA 0.899 55.749 54.840 0.016 0.000 0.907 15 L CB -0.142 41.912 42.059 -0.009 0.000 1.164 15 L HN 0.195 8.425 8.230 -0.000 0.000 0.482 16 T N 4.914 119.509 114.554 0.069 0.000 2.851 16 T HA 0.396 4.754 4.350 0.012 0.000 0.298 16 T C -0.327 174.458 174.700 0.142 0.000 0.977 16 T CA -0.248 61.901 62.100 0.081 0.000 1.126 16 T CB 0.640 69.550 68.868 0.069 0.000 0.916 16 T HN 0.453 8.693 8.240 -0.000 0.000 0.529 17 V N 5.851 125.841 119.914 0.126 0.000 2.459 17 V HA 0.371 4.498 4.120 0.012 0.000 0.295 17 V C 0.049 176.238 176.094 0.158 0.000 1.029 17 V CA -1.045 61.364 62.300 0.182 0.000 0.874 17 V CB 1.716 33.600 31.823 0.103 0.000 0.985 17 V HN 0.779 8.969 8.190 -0.000 0.000 0.438 18 N N 3.340 122.159 118.700 0.197 0.000 2.457 18 N HA 0.341 5.088 4.740 0.012 0.000 0.250 18 N C 0.191 175.803 175.510 0.169 0.000 0.982 18 N CA -0.161 52.980 53.050 0.153 0.000 0.941 18 N CB 2.005 40.568 38.487 0.127 0.000 1.120 18 N HN 0.849 9.229 8.380 -0.000 0.000 0.505 19 T N -0.933 113.719 114.554 0.164 0.000 2.849 19 T HA 0.835 5.192 4.350 0.012 0.000 0.276 19 T C 0.529 175.364 174.700 0.226 0.000 0.971 19 T CA -0.838 61.380 62.100 0.196 0.000 0.949 19 T CB 1.810 70.804 68.868 0.211 0.000 1.093 19 T HN 0.447 8.687 8.240 -0.000 0.000 0.545 20 G N -0.208 108.732 108.800 0.233 0.000 2.380 20 G HA2 0.465 4.432 3.960 0.012 0.000 0.305 20 G HA3 0.465 4.432 3.960 0.012 0.000 0.305 20 G C -1.622 173.368 174.900 0.150 0.000 1.672 20 G CA -0.973 44.262 45.100 0.226 0.000 0.904 20 G HN 0.865 9.155 8.290 -0.000 0.000 0.686 21 I N 1.704 122.316 120.570 0.069 0.000 2.447 21 I HA 0.291 4.468 4.170 0.012 0.000 0.287 21 I C -1.174 175.124 176.117 0.301 0.000 1.023 21 I CA -0.873 60.520 61.300 0.156 0.000 1.083 21 I CB 2.318 40.290 38.000 -0.047 0.000 1.245 21 I HN 0.578 8.788 8.210 -0.000 0.000 0.434 22 Y N 7.449 127.909 120.300 0.268 0.000 2.841 22 Y HA 0.426 4.983 4.550 0.012 0.000 0.329 22 Y C 0.056 176.015 175.900 0.099 0.000 1.062 22 Y CA -0.623 57.608 58.100 0.218 0.000 1.281 22 Y CB 0.443 39.071 38.460 0.279 0.000 1.147 22 Y HN 0.397 8.677 8.280 -0.000 0.000 0.521 23 L N 6.734 127.952 121.223 -0.008 0.000 2.771 23 L HA -0.177 4.170 4.340 0.012 0.000 0.278 23 L C 0.954 177.700 176.870 -0.206 0.000 1.175 23 L CA 0.762 55.544 54.840 -0.098 0.000 0.973 23 L CB 0.144 42.151 42.059 -0.088 0.000 1.286 23 L HN 0.752 8.982 8.230 -0.000 0.000 0.481 24 I N 0.994 121.470 120.570 -0.156 0.000 2.556 24 I HA 0.051 4.228 4.170 0.012 0.000 0.251 24 I C 0.929 177.006 176.117 -0.067 0.000 1.105 24 I CA 0.829 62.055 61.300 -0.122 0.000 1.436 24 I CB 0.182 38.049 38.000 -0.221 0.000 1.139 24 I HN 0.561 8.771 8.210 -0.000 0.000 0.438 25 E N -0.216 119.964 120.200 -0.032 0.000 2.317 25 E HA 0.425 4.783 4.350 0.012 0.000 0.270 25 E C -1.676 175.037 176.600 0.188 0.000 0.885 25 E CA -0.453 56.002 56.400 0.092 0.000 0.760 25 E CB 2.759 32.509 29.700 0.083 0.000 1.227 25 E HN -0.025 8.335 8.360 -0.000 0.000 0.434 26 C N 3.040 122.496 119.300 0.260 0.000 2.482 26 C HA 0.794 5.261 4.460 0.012 0.000 0.317 26 C C -1.411 173.773 174.990 0.323 0.000 1.197 26 C CA -0.541 58.596 59.018 0.198 0.000 1.432 26 C CB -0.175 27.586 27.740 0.034 0.000 2.062 26 C HN 0.733 8.963 8.230 -0.000 0.000 0.471 27 Y N 0.107 120.414 120.300 0.011 0.000 2.677 27 Y HA 0.612 5.169 4.550 0.012 0.000 0.334 27 Y C 0.238 176.128 175.900 -0.017 0.000 1.196 27 Y CA -0.866 57.209 58.100 -0.043 0.000 1.059 27 Y CB 0.547 38.979 38.460 -0.046 0.000 1.315 27 Y HN 0.476 8.756 8.280 -0.000 0.000 0.455 28 S N 1.001 116.746 115.700 0.075 0.000 3.484 28 S HA -0.220 4.257 4.470 0.012 0.000 0.384 28 S C -0.491 174.114 174.600 0.008 0.000 0.932 28 S CA 0.596 58.821 58.200 0.042 0.000 1.293 28 S CB -1.090 62.158 63.200 0.081 0.000 0.919 28 S HN 0.727 9.037 8.310 -0.000 0.000 0.540 29 L N 1.960 123.184 121.223 0.001 0.000 2.418 29 L HA 0.259 4.606 4.340 0.012 0.000 0.274 29 L C 0.225 177.149 176.870 0.090 0.000 1.135 29 L CA 0.058 54.887 54.840 -0.018 0.000 0.870 29 L CB 0.528 42.416 42.059 -0.284 0.000 1.154 29 L HN 0.186 8.416 8.230 -0.000 0.000 0.462 30 D N 3.603 124.061 120.400 0.097 0.000 2.485 30 D HA 0.109 4.757 4.640 0.012 0.000 0.229 30 D C 0.603 177.008 176.300 0.174 0.000 1.101 30 D CA -0.301 53.772 54.000 0.122 0.000 0.906 30 D CB 1.089 41.936 40.800 0.078 0.000 1.019 30 D HN 0.619 8.989 8.370 -0.000 0.000 0.516 31 D N 1.676 122.232 120.400 0.261 0.000 2.133 31 D HA -0.212 4.436 4.640 0.012 0.000 0.192 31 D C 1.838 178.289 176.300 0.251 0.000 1.001 31 D CA 1.173 55.412 54.000 0.398 0.000 0.844 31 D CB 0.454 41.513 40.800 0.433 0.000 0.944 31 D HN 0.255 8.625 8.370 -0.000 0.000 0.447 32 K N 0.090 120.544 120.400 0.090 0.000 2.002 32 K HA -0.037 4.290 4.320 0.012 0.000 0.209 32 K C 2.041 178.674 176.600 0.056 0.000 1.048 32 K CA 1.260 57.553 56.287 0.010 0.000 0.930 32 K CB -0.307 32.182 32.500 -0.019 0.000 0.714 32 K HN 0.162 8.412 8.250 -0.000 0.000 0.438 33 A N 0.722 123.585 122.820 0.072 0.000 2.123 33 A HA -0.051 4.276 4.320 0.012 0.000 0.214 33 A C -0.044 177.597 177.584 0.095 0.000 1.152 33 A CA 0.501 52.577 52.037 0.066 0.000 0.728 33 A CB -0.065 18.962 19.000 0.046 0.000 0.814 33 A HN 0.464 8.614 8.150 -0.000 0.000 0.464 34 E N 0.269 120.553 120.200 0.141 0.000 2.257 34 E HA -0.156 4.201 4.350 0.012 0.000 0.217 34 E C -0.069 176.602 176.600 0.119 0.000 1.248 34 E CA 0.650 57.142 56.400 0.153 0.000 0.691 34 E CB -2.580 27.220 29.700 0.166 0.000 1.185 34 E HN 0.819 9.179 8.360 -0.000 0.000 0.377 35 T N -1.821 112.802 114.554 0.114 0.000 2.841 35 T HA 0.826 5.184 4.350 0.012 0.000 0.296 35 T C -0.672 174.130 174.700 0.170 0.000 1.166 35 T CA -0.893 61.271 62.100 0.106 0.000 1.007 35 T CB 2.194 71.072 68.868 0.018 0.000 1.253 35 T HN 0.427 8.667 8.240 -0.000 0.000 0.511 36 F N -1.408 118.457 119.950 -0.141 0.000 2.654 36 F HA 0.836 5.370 4.527 0.012 0.000 0.308 36 F C -1.362 174.267 175.800 -0.286 0.000 1.108 36 F CA -1.388 56.478 58.000 -0.224 0.000 0.957 36 F CB 1.295 40.129 39.000 -0.277 0.000 1.309 36 F HN 0.700 9.000 8.300 -0.000 0.000 0.446 37 K N 1.701 121.805 120.400 -0.493 0.000 2.110 37 K HA 0.767 5.094 4.320 0.012 0.000 0.263 37 K C -1.511 174.565 176.600 -0.873 0.000 0.975 37 K CA -1.170 54.645 56.287 -0.786 0.000 0.895 37 K CB 2.297 34.244 32.500 -0.922 0.000 1.060 37 K HN 0.649 8.899 8.250 -0.000 0.000 0.448 38 V N 2.670 122.224 119.914 -0.601 0.000 2.733 38 V HA 0.343 4.471 4.120 0.012 0.000 0.306 38 V C -1.725 174.239 176.094 -0.217 0.000 1.084 38 V CA -0.723 61.394 62.300 -0.305 0.000 0.905 38 V CB 1.961 33.691 31.823 -0.156 0.000 1.010 38 V HN 0.808 8.998 8.190 -0.000 0.000 0.424 39 N N 4.706 123.360 118.700 -0.076 0.000 2.408 39 N HA 0.889 5.637 4.740 0.012 0.000 0.280 39 N C -0.673 174.611 175.510 -0.376 0.000 1.002 39 N CA 0.411 53.327 53.050 -0.222 0.000 0.907 39 N CB 1.957 40.423 38.487 -0.035 0.000 1.161 39 N HN 1.143 9.523 8.380 -0.000 0.000 0.488 40 A N 2.087 124.501 122.820 -0.678 0.000 2.601 40 A HA 0.584 4.911 4.320 0.012 0.000 0.291 40 A C -1.561 175.828 177.584 -0.325 0.000 1.075 40 A CA -0.616 51.123 52.037 -0.496 0.000 0.671 40 A CB 0.468 19.269 19.000 -0.331 0.000 1.277 40 A HN 0.395 8.545 8.150 -0.000 0.000 0.417 41 F N -0.140 119.856 119.950 0.076 0.000 2.382 41 F HA 0.623 5.158 4.527 0.012 0.000 0.331 41 F C 0.195 176.212 175.800 0.363 0.000 1.121 41 F CA -0.803 57.304 58.000 0.179 0.000 1.183 41 F CB 1.576 40.679 39.000 0.172 0.000 1.207 41 F HN 0.362 8.662 8.300 -0.000 0.000 0.555 42 L N 2.292 123.868 121.223 0.588 0.000 2.377 42 L HA 0.458 4.805 4.340 0.012 0.000 0.270 42 L C -0.835 176.218 176.870 0.306 0.000 0.991 42 L CA -0.267 54.848 54.840 0.460 0.000 0.851 42 L CB 0.933 43.281 42.059 0.481 0.000 1.218 42 L HN 0.432 8.662 8.230 -0.000 0.000 0.420 43 S N 6.109 121.957 115.700 0.247 0.000 2.457 43 S HA 0.784 5.262 4.470 0.012 0.000 0.289 43 S C -0.298 174.456 174.600 0.256 0.000 1.163 43 S CA -0.529 57.786 58.200 0.192 0.000 1.078 43 S CB 0.867 64.141 63.200 0.124 0.000 0.987 43 S HN 0.539 8.849 8.310 -0.000 0.000 0.482 44 L N 2.269 123.705 121.223 0.355 0.000 2.301 44 L HA 0.860 5.207 4.340 0.012 0.000 0.264 44 L C -0.094 176.973 176.870 0.328 0.000 1.016 44 L CA -0.631 54.422 54.840 0.354 0.000 0.821 44 L CB 2.158 44.444 42.059 0.378 0.000 1.346 44 L HN 0.817 9.047 8.230 -0.000 0.000 0.429 45 S N -0.238 115.679 115.700 0.361 0.000 2.558 45 S HA 0.735 5.212 4.470 0.012 0.000 0.277 45 S C -1.908 172.921 174.600 0.382 0.000 1.143 45 S CA -0.895 57.431 58.200 0.210 0.000 0.865 45 S CB 1.359 64.585 63.200 0.044 0.000 1.102 45 S HN 0.809 9.119 8.310 -0.000 0.000 0.454 46 W N 0.816 122.154 121.300 0.063 0.000 3.161 46 W HA 0.661 5.328 4.660 0.012 0.000 0.314 46 W C -1.845 174.702 176.519 0.046 0.000 1.245 46 W CA -0.942 56.443 57.345 0.066 0.000 1.191 46 W CB 0.582 30.112 29.460 0.117 0.000 1.392 46 W HN 0.902 9.082 8.180 -0.000 0.000 0.568 47 K N 1.816 122.343 120.400 0.211 0.000 2.262 47 K HA 0.318 4.645 4.320 0.012 0.000 0.282 47 K C -0.848 175.861 176.600 0.181 0.000 1.066 47 K CA -0.311 56.023 56.287 0.079 0.000 0.901 47 K CB 1.576 34.102 32.500 0.045 0.000 1.089 47 K HN 0.438 8.688 8.250 -0.000 0.000 0.476 48 D N 4.715 125.166 120.400 0.085 0.000 2.683 48 D HA 0.082 4.730 4.640 0.012 0.000 0.309 48 D C 1.020 177.330 176.300 0.016 0.000 1.238 48 D CA -0.637 53.443 54.000 0.134 0.000 0.936 48 D CB 0.444 41.391 40.800 0.246 0.000 1.001 48 D HN 0.709 9.079 8.370 -0.000 0.000 0.505 49 R N 0.590 121.093 120.500 0.004 0.000 2.294 49 R HA -0.181 4.166 4.340 0.012 0.000 0.250 49 R C 1.641 177.934 176.300 -0.011 0.000 1.181 49 R CA 0.664 56.757 56.100 -0.013 0.000 1.016 49 R CB -0.356 29.940 30.300 -0.007 0.000 0.869 49 R HN 0.151 8.421 8.270 -0.000 0.000 0.476 50 R N 1.657 122.152 120.500 -0.007 0.000 2.237 50 R HA -0.005 4.342 4.340 0.012 0.000 0.219 50 R C 1.308 177.609 176.300 0.002 0.000 1.080 50 R CA 1.002 57.099 56.100 -0.005 0.000 0.995 50 R CB 0.013 30.306 30.300 -0.013 0.000 0.875 50 R HN 0.498 8.768 8.270 -0.000 0.000 0.462 51 L N -3.169 118.042 121.223 -0.019 0.000 3.288 51 L HA 0.599 4.946 4.340 0.012 0.000 0.293 51 L C -0.115 176.720 176.870 -0.059 0.000 1.294 51 L CA -0.810 54.022 54.840 -0.014 0.000 1.006 51 L CB 0.831 42.852 42.059 -0.064 0.000 1.407 51 L HN -0.185 8.045 8.230 -0.000 0.000 0.592 52 A N 1.430 124.225 122.820 -0.043 0.000 2.483 52 A HA 0.446 4.774 4.320 0.012 0.000 0.238 52 A C 0.081 177.755 177.584 0.149 0.000 1.070 52 A CA 0.284 52.298 52.037 -0.038 0.000 0.770 52 A CB 0.020 19.024 19.000 0.006 0.000 1.008 52 A HN 0.666 8.816 8.150 -0.000 0.000 0.497 53 F N 0.075 120.046 119.950 0.035 0.000 2.453 53 F HA 0.341 4.875 4.527 0.012 0.000 0.382 53 F C -0.395 175.419 175.800 0.023 0.000 1.495 53 F CA -1.704 56.319 58.000 0.038 0.000 1.071 53 F CB -1.672 37.365 39.000 0.063 0.000 1.577 53 F HN 0.707 9.007 8.300 -0.000 0.000 0.508 54 D N 0.717 121.273 120.400 0.260 0.000 3.142 54 D HA -0.216 4.432 4.640 0.012 0.000 0.221 54 D C -1.753 174.507 176.300 -0.066 0.000 1.193 54 D CA 0.635 54.677 54.000 0.070 0.000 0.900 54 D CB -0.949 39.867 40.800 0.028 0.000 0.886 54 D HN 0.329 8.699 8.370 -0.000 0.000 0.399 55 P HA -0.348 4.072 4.420 -0.000 0.000 0.214 55 P C 1.639 178.864 177.300 -0.125 0.000 1.164 55 P CA 1.553 64.590 63.100 -0.106 0.000 0.942 55 P CB 0.036 31.738 31.700 0.002 0.000 0.791 56 V N 1.071 120.946 119.914 -0.065 0.000 2.261 56 V HA -0.231 3.896 4.120 0.012 0.000 0.246 56 V C 2.843 178.895 176.094 -0.070 0.000 1.047 56 V CA 2.075 64.341 62.300 -0.057 0.000 1.015 56 V CB -1.266 30.538 31.823 -0.031 0.000 0.642 56 V HN 0.039 8.229 8.190 -0.000 0.000 0.446 57 R N 1.329 121.791 120.500 -0.063 0.000 2.154 57 R HA -0.104 4.243 4.340 0.012 0.000 0.248 57 R C 1.105 177.358 176.300 -0.079 0.000 1.155 57 R CA 1.614 57.680 56.100 -0.057 0.000 0.979 57 R CB -0.680 29.596 30.300 -0.039 0.000 0.869 57 R HN 0.730 9.000 8.270 -0.000 0.000 0.452 58 S N -3.013 112.609 115.700 -0.131 0.000 2.625 58 S HA 0.545 5.022 4.470 0.012 0.000 0.271 58 S C 0.629 175.100 174.600 -0.214 0.000 1.161 58 S CA -0.246 57.864 58.200 -0.150 0.000 0.820 58 S CB 1.859 64.975 63.200 -0.140 0.000 1.137 58 S HN 0.337 8.647 8.310 -0.000 0.000 0.470 59 G N 0.804 109.497 108.800 -0.178 0.000 2.698 59 G HA2 -0.157 3.811 3.960 0.012 0.000 0.346 59 G HA3 -0.157 3.811 3.960 0.012 0.000 0.346 59 G C 0.513 175.306 174.900 -0.180 0.000 1.287 59 G CA 2.542 47.531 45.100 -0.184 0.000 0.990 59 G HN 2.256 10.546 8.290 -0.000 0.000 0.545 60 V N -4.003 115.781 119.914 -0.215 0.000 3.069 60 V HA 0.763 4.891 4.120 0.012 0.000 0.312 60 V C 1.553 177.578 176.094 -0.115 0.000 1.369 60 V CA 0.547 62.766 62.300 -0.135 0.000 1.047 60 V CB 1.062 32.840 31.823 -0.075 0.000 1.098 60 V HN 0.935 9.125 8.190 -0.000 0.000 0.473 61 R N -0.522 119.965 120.500 -0.022 0.000 2.094 61 R HA 0.009 4.356 4.340 0.012 0.000 0.239 61 R C -0.016 176.396 176.300 0.187 0.000 1.137 61 R CA 2.294 58.424 56.100 0.051 0.000 0.943 61 R CB -0.094 30.226 30.300 0.034 0.000 0.850 61 R HN 0.686 8.956 8.270 -0.000 0.000 0.433 62 V N 0.485 120.508 119.914 0.182 0.000 2.808 62 V HA 0.196 4.323 4.120 0.012 0.000 0.308 62 V C -1.290 174.939 176.094 0.226 0.000 1.099 62 V CA -1.083 61.386 62.300 0.281 0.000 0.920 62 V CB 1.867 33.756 31.823 0.110 0.000 1.014 62 V HN 0.083 8.273 8.190 -0.000 0.000 0.425 63 K N 1.989 122.599 120.400 0.351 0.000 2.213 63 K HA 0.531 4.858 4.320 0.012 0.000 0.270 63 K C -0.243 176.315 176.600 -0.070 0.000 1.002 63 K CA 0.095 56.464 56.287 0.137 0.000 0.868 63 K CB 1.441 34.113 32.500 0.287 0.000 1.093 63 K HN 0.708 8.958 8.250 -0.000 0.000 0.454 64 T N 4.692 119.167 114.554 -0.131 0.000 2.761 64 T HA 0.243 4.600 4.350 0.012 0.000 0.296 64 T C -0.827 173.752 174.700 -0.202 0.000 0.934 64 T CA 0.240 62.280 62.100 -0.099 0.000 1.091 64 T CB -0.141 68.695 68.868 -0.054 0.000 0.896 64 T HN 0.397 8.637 8.240 -0.000 0.000 0.515 65 Y N 1.462 121.789 120.300 0.045 0.000 2.631 65 Y HA 0.563 5.121 4.550 0.012 0.000 0.328 65 Y C 0.596 176.530 175.900 0.057 0.000 1.118 65 Y CA -1.189 56.944 58.100 0.056 0.000 1.206 65 Y CB 1.336 39.835 38.460 0.064 0.000 1.337 65 Y HN 0.437 8.717 8.280 -0.000 0.000 0.515 66 E N 0.993 121.358 120.200 0.274 0.000 2.212 66 E HA 0.337 4.694 4.350 0.012 0.000 0.270 66 E C -2.034 174.667 176.600 0.168 0.000 0.956 66 E CA -2.344 54.160 56.400 0.174 0.000 0.825 66 E CB 1.393 31.170 29.700 0.129 0.000 1.167 66 E HN 0.160 8.520 8.360 -0.000 0.000 0.400 67 P HA -0.233 4.187 4.420 -0.000 0.000 0.217 67 P C 0.516 177.862 177.300 0.075 0.000 1.151 67 P CA 1.362 64.533 63.100 0.118 0.000 0.849 67 P CB 0.213 31.978 31.700 0.108 0.000 0.787 68 E N -0.191 120.053 120.200 0.075 0.000 2.153 68 E HA -0.152 4.205 4.350 0.012 0.000 0.194 68 E C 1.969 178.607 176.600 0.063 0.000 0.988 68 E CA 1.478 57.913 56.400 0.059 0.000 0.811 68 E CB -1.253 28.483 29.700 0.059 0.000 0.746 68 E HN 0.194 8.554 8.360 -0.000 0.000 0.466 69 A N 2.279 125.151 122.820 0.086 0.000 1.835 69 A HA -0.051 4.277 4.320 0.012 0.000 0.215 69 A C 1.472 179.043 177.584 -0.022 0.000 1.199 69 A CA 0.804 52.878 52.037 0.061 0.000 0.615 69 A CB -0.417 18.684 19.000 0.168 0.000 0.838 69 A HN 0.130 8.280 8.150 -0.000 0.000 0.444 70 I N -2.203 118.341 120.570 -0.043 0.000 2.823 70 I HA 0.105 4.282 4.170 0.012 0.000 0.290 70 I C 0.151 176.347 176.117 0.131 0.000 1.091 70 I CA -1.348 59.949 61.300 -0.005 0.000 1.365 70 I CB -0.124 37.895 38.000 0.031 0.000 1.427 70 I HN 0.595 8.805 8.210 -0.000 0.000 0.583 71 W N 6.616 127.940 121.300 0.039 0.000 2.266 71 W HA 0.475 5.142 4.660 0.012 0.000 0.317 71 W C -0.611 175.927 176.519 0.032 0.000 1.310 71 W CA -0.302 57.051 57.345 0.014 0.000 1.207 71 W CB 0.487 29.937 29.460 -0.016 0.000 1.199 71 W HN 0.233 8.413 8.180 -0.000 0.000 0.544 72 I N 6.863 126.797 120.570 -1.060 0.000 2.545 72 I HA 0.399 4.576 4.170 0.012 0.000 0.292 72 I C -2.437 172.631 176.117 -1.749 0.000 1.040 72 I CA -2.705 57.885 61.300 -1.183 0.000 1.068 72 I CB 1.377 39.052 38.000 -0.542 0.000 1.251 72 I HN 0.275 8.485 8.210 -0.000 0.000 0.424 73 P HA 0.275 4.695 4.420 -0.000 0.000 0.282 73 P C -0.761 176.154 177.300 -0.641 0.000 1.262 73 P CA -0.222 62.192 63.100 -1.144 0.000 0.773 73 P CB 0.501 31.702 31.700 -0.831 0.000 0.879 74 E N 2.972 122.911 120.200 -0.434 0.000 2.159 74 E HA 0.134 4.492 4.350 0.012 0.000 0.272 74 E C -0.151 176.338 176.600 -0.185 0.000 1.138 74 E CA -0.115 56.124 56.400 -0.268 0.000 0.915 74 E CB 0.101 29.692 29.700 -0.182 0.000 1.028 74 E HN 0.301 8.661 8.360 -0.000 0.000 0.423 75 I N 4.753 125.225 120.570 -0.164 0.000 2.307 75 I HA 0.186 4.363 4.170 0.012 0.000 0.287 75 I C 0.286 176.389 176.117 -0.023 0.000 1.054 75 I CA -0.302 60.938 61.300 -0.099 0.000 1.218 75 I CB 0.406 38.348 38.000 -0.097 0.000 1.398 75 I HN 0.326 8.536 8.210 -0.000 0.000 0.475 76 R N 4.851 125.344 120.500 -0.012 0.000 2.540 76 R HA 0.552 4.899 4.340 0.012 0.000 0.287 76 R C -0.901 175.453 176.300 0.090 0.000 0.980 76 R CA -0.693 55.443 56.100 0.060 0.000 0.966 76 R CB 1.444 31.755 30.300 0.019 0.000 1.106 76 R HN 0.127 8.397 8.270 -0.000 0.000 0.480 77 F N 0.843 120.750 119.950 -0.073 0.000 2.384 77 F HA 0.104 4.639 4.527 0.012 0.000 0.338 77 F C 1.410 177.213 175.800 0.006 0.000 1.103 77 F CA -0.487 57.488 58.000 -0.041 0.000 1.157 77 F CB 1.256 40.199 39.000 -0.096 0.000 1.167 77 F HN 0.243 8.543 8.300 -0.000 0.000 0.529 78 V N 2.031 122.059 119.914 0.191 0.000 2.256 78 V HA -0.212 3.915 4.120 0.012 0.000 0.240 78 V C 0.880 177.054 176.094 0.133 0.000 1.036 78 V CA 1.524 63.892 62.300 0.113 0.000 1.008 78 V CB -0.639 31.202 31.823 0.029 0.000 0.648 78 V HN 0.800 8.990 8.190 -0.000 0.000 0.453 79 N N 0.889 119.735 118.700 0.244 0.000 3.245 79 N HA 0.304 5.051 4.740 0.012 0.000 0.296 79 N C -0.946 174.645 175.510 0.134 0.000 1.254 79 N CA -0.106 53.059 53.050 0.192 0.000 1.190 79 N CB 0.392 39.052 38.487 0.289 0.000 1.460 79 N HN 0.236 8.616 8.380 -0.000 0.000 0.538 80 V N 0.731 120.698 119.914 0.088 0.000 2.735 80 V HA 0.159 4.287 4.120 0.012 0.000 0.310 80 V C 1.052 177.143 176.094 -0.006 0.000 1.061 80 V CA -0.843 61.469 62.300 0.019 0.000 0.913 80 V CB 1.928 33.746 31.823 -0.008 0.000 1.005 80 V HN 0.424 8.614 8.190 -0.000 0.000 0.428 81 E N 2.483 122.664 120.200 -0.032 0.000 2.033 81 E HA -0.156 4.201 4.350 0.012 0.000 0.199 81 E C 0.174 176.759 176.600 -0.026 0.000 1.011 81 E CA 1.531 57.914 56.400 -0.028 0.000 0.815 81 E CB 0.151 29.828 29.700 -0.039 0.000 0.755 81 E HN 0.748 9.108 8.360 -0.000 0.000 0.451 82 N N -1.201 117.477 118.700 -0.037 0.000 2.453 82 N HA 0.408 5.155 4.740 0.012 0.000 0.290 82 N C -1.201 174.287 175.510 -0.037 0.000 1.250 82 N CA -0.373 52.658 53.050 -0.032 0.000 0.815 82 N CB 1.531 39.999 38.487 -0.030 0.000 1.381 82 N HN 0.062 8.442 8.380 -0.000 0.000 0.510 83 A N 1.347 124.151 122.820 -0.026 0.000 2.558 83 A HA -0.079 4.248 4.320 0.012 0.000 0.262 83 A C 0.170 177.726 177.584 -0.047 0.000 1.049 83 A CA 0.312 52.333 52.037 -0.026 0.000 0.804 83 A CB -0.625 18.366 19.000 -0.015 0.000 0.957 83 A HN 0.595 8.745 8.150 -0.000 0.000 0.520 84 R N 2.645 123.094 120.500 -0.085 0.000 2.644 84 R HA -0.035 4.312 4.340 0.012 0.000 0.265 84 R C -0.487 175.785 176.300 -0.046 0.000 0.985 84 R CA 0.116 56.133 56.100 -0.138 0.000 1.097 84 R CB 0.415 30.547 30.300 -0.280 0.000 0.931 84 R HN 0.629 8.899 8.270 -0.000 0.000 0.419 85 D N 1.374 121.771 120.400 -0.006 0.000 2.772 85 D HA 0.266 4.913 4.640 0.012 0.000 0.273 85 D C -0.932 175.416 176.300 0.080 0.000 1.233 85 D CA -0.214 53.804 54.000 0.030 0.000 0.984 85 D CB 0.421 41.229 40.800 0.013 0.000 1.000 85 D HN 0.598 8.968 8.370 -0.000 0.000 0.514 86 A N 1.832 124.717 122.820 0.109 0.000 2.312 86 A HA 0.564 4.891 4.320 0.012 0.000 0.326 86 A C -0.361 177.293 177.584 0.117 0.000 1.172 86 A CA -0.654 51.479 52.037 0.160 0.000 0.821 86 A CB 1.092 20.238 19.000 0.243 0.000 1.166 86 A HN 0.236 8.386 8.150 -0.000 0.000 0.493 87 D N 0.756 121.223 120.400 0.112 0.000 2.350 87 D HA 0.459 5.106 4.640 0.012 0.000 0.245 87 D C -0.518 175.829 176.300 0.078 0.000 1.036 87 D CA -0.157 53.893 54.000 0.083 0.000 0.848 87 D CB 1.933 42.770 40.800 0.062 0.000 1.307 87 D HN 0.185 8.555 8.370 -0.000 0.000 0.469 88 V N 2.308 122.253 119.914 0.053 0.000 2.530 88 V HA 0.074 4.201 4.120 0.012 0.000 0.282 88 V C 1.285 177.349 176.094 -0.050 0.000 1.048 88 V CA -0.217 62.074 62.300 -0.016 0.000 0.997 88 V CB 1.653 33.491 31.823 0.025 0.000 0.987 88 V HN 0.411 8.601 8.190 -0.000 0.000 0.477 89 V N 2.892 122.726 119.914 -0.133 0.000 2.492 89 V HA 0.184 4.312 4.120 0.012 0.000 0.241 89 V C 0.303 176.316 176.094 -0.135 0.000 1.041 89 V CA 1.368 63.596 62.300 -0.119 0.000 1.057 89 V CB 0.511 32.237 31.823 -0.162 0.000 0.711 89 V HN 1.051 9.241 8.190 -0.000 0.000 0.468 90 D N -2.041 118.244 120.400 -0.191 0.000 2.685 90 D HA 0.402 5.050 4.640 0.012 0.000 0.236 90 D C -1.479 174.750 176.300 -0.118 0.000 1.233 90 D CA -0.296 53.627 54.000 -0.127 0.000 0.760 90 D CB 1.518 42.247 40.800 -0.120 0.000 1.410 90 D HN 0.061 8.431 8.370 -0.000 0.000 0.439 91 I N 1.450 122.007 120.570 -0.021 0.000 2.466 91 I HA 0.458 4.635 4.170 0.012 0.000 0.289 91 I C -0.653 175.488 176.117 0.041 0.000 1.026 91 I CA -0.613 60.714 61.300 0.046 0.000 1.078 91 I CB 2.113 40.206 38.000 0.154 0.000 1.249 91 I HN 0.112 8.322 8.210 -0.000 0.000 0.429 92 S N 4.793 120.497 115.700 0.008 0.000 2.707 92 S HA 0.411 4.889 4.470 0.012 0.000 0.303 92 S C -0.464 174.114 174.600 -0.036 0.000 1.132 92 S CA -0.510 57.690 58.200 0.000 0.000 1.046 92 S CB 1.990 65.175 63.200 -0.024 0.000 1.004 92 S HN 0.275 8.585 8.310 -0.000 0.000 0.483 93 V N 3.476 123.387 119.914 -0.005 0.000 2.368 93 V HA 0.334 4.462 4.120 0.012 0.000 0.266 93 V C 0.833 176.758 176.094 -0.281 0.000 1.045 93 V CA -0.265 61.951 62.300 -0.141 0.000 0.899 93 V CB 1.306 33.091 31.823 -0.062 0.000 1.006 93 V HN 0.889 9.079 8.190 -0.000 0.000 0.470 94 S N 6.686 122.233 115.700 -0.254 0.000 2.580 94 S HA 0.183 4.660 4.470 0.012 0.000 0.266 94 S C -1.279 173.068 174.600 -0.421 0.000 1.354 94 S CA -0.686 57.387 58.200 -0.211 0.000 1.008 94 S CB 1.008 64.131 63.200 -0.129 0.000 0.898 94 S HN 0.604 8.914 8.310 -0.000 0.000 0.555 95 P HA -0.053 4.367 4.420 -0.000 0.000 0.217 95 P C 0.645 177.897 177.300 -0.080 0.000 1.151 95 P CA 1.047 64.124 63.100 -0.037 0.000 0.828 95 P CB -0.168 31.718 31.700 0.309 0.000 0.788 96 D N -1.218 119.143 120.400 -0.064 0.000 2.392 96 D HA -0.007 4.640 4.640 0.012 0.000 0.228 96 D C 1.370 177.620 176.300 -0.084 0.000 1.003 96 D CA 1.064 55.036 54.000 -0.047 0.000 0.917 96 D CB -1.165 39.617 40.800 -0.030 0.000 0.890 96 D HN 0.269 8.639 8.370 -0.000 0.000 0.532 97 G N -1.293 107.407 108.800 -0.167 0.000 2.144 97 G HA2 -0.235 3.732 3.960 0.012 0.000 0.218 97 G HA3 -0.235 3.732 3.960 0.012 0.000 0.218 97 G C 0.260 175.042 174.900 -0.197 0.000 0.988 97 G CA 0.123 45.121 45.100 -0.170 0.000 0.659 97 G HN 0.485 8.775 8.290 -0.000 0.000 0.522 98 T N 1.042 115.469 114.554 -0.211 0.000 2.794 98 T HA 0.506 4.863 4.350 0.012 0.000 0.296 98 T C 0.582 175.067 174.700 -0.358 0.000 0.949 98 T CA 0.063 62.015 62.100 -0.246 0.000 1.101 98 T CB 1.367 70.143 68.868 -0.154 0.000 0.905 98 T HN 0.497 8.737 8.240 -0.000 0.000 0.516 99 V N 5.549 125.103 119.914 -0.601 0.000 2.532 99 V HA 0.452 4.579 4.120 0.012 0.000 0.295 99 V C -0.048 175.740 176.094 -0.510 0.000 1.041 99 V CA -0.866 61.017 62.300 -0.694 0.000 0.926 99 V CB 1.787 32.812 31.823 -1.331 0.000 0.992 99 V HN 0.687 8.877 8.190 -0.000 0.000 0.457 100 Q N 3.223 122.860 119.800 -0.272 0.000 2.339 100 Q HA 0.401 4.748 4.340 0.012 0.000 0.268 100 Q C -1.550 174.444 176.000 -0.009 0.000 1.027 100 Q CA -0.385 55.349 55.803 -0.115 0.000 0.759 100 Q CB 2.496 31.183 28.738 -0.085 0.000 1.244 100 Q HN 0.807 9.077 8.270 -0.000 0.000 0.464 101 Y N 2.922 123.186 120.300 -0.061 0.000 2.446 101 Y HA 0.643 5.200 4.550 0.012 0.000 0.338 101 Y C -1.558 174.350 175.900 0.014 0.000 1.055 101 Y CA -1.084 57.028 58.100 0.018 0.000 1.101 101 Y CB 1.227 39.776 38.460 0.148 0.000 1.221 101 Y HN 0.562 8.842 8.280 -0.000 0.000 0.460 102 L N 6.055 126.849 121.223 -0.716 0.000 2.562 102 L HA 0.400 4.748 4.340 0.012 0.000 0.266 102 L C -1.364 175.118 176.870 -0.647 0.000 0.949 102 L CA -0.211 54.299 54.840 -0.550 0.000 0.879 102 L CB 1.719 43.521 42.059 -0.429 0.000 1.278 102 L HN 0.835 9.065 8.230 -0.000 0.000 0.404 103 E N 3.562 123.555 120.200 -0.344 0.000 2.396 103 E HA 0.625 4.983 4.350 0.012 0.000 0.251 103 E C -0.788 175.963 176.600 0.251 0.000 0.949 103 E CA -1.141 55.226 56.400 -0.055 0.000 0.834 103 E CB 1.650 31.427 29.700 0.128 0.000 1.309 103 E HN 0.398 8.758 8.360 -0.000 0.000 0.405 104 R N 1.360 122.037 120.500 0.294 0.000 2.718 104 R HA 0.180 4.527 4.340 0.012 0.000 0.266 104 R C -1.256 175.131 176.300 0.145 0.000 1.776 104 R CA -0.413 55.879 56.100 0.320 0.000 1.567 104 R CB 0.129 30.628 30.300 0.331 0.000 1.336 104 R HN 0.572 8.842 8.270 -0.000 0.000 0.619 105 F N 0.725 120.734 119.950 0.098 0.000 2.390 105 F HA 0.575 5.110 4.527 0.012 0.000 0.307 105 F C 0.073 175.849 175.800 -0.040 0.000 1.227 105 F CA -0.621 57.380 58.000 0.000 0.000 1.179 105 F CB 0.850 39.810 39.000 -0.067 0.000 1.280 105 F HN 0.188 8.488 8.300 -0.000 0.000 0.548 106 S N 0.322 116.002 115.700 -0.033 0.000 2.357 106 S HA 0.722 5.199 4.470 0.012 0.000 0.209 106 S C -1.043 173.544 174.600 -0.022 0.000 0.981 106 S CA -0.296 57.830 58.200 -0.123 0.000 1.106 106 S CB 0.094 63.256 63.200 -0.063 0.000 1.266 106 S HN 1.356 9.666 8.310 -0.000 0.000 0.410 107 A N 2.896 125.697 122.820 -0.032 0.000 2.386 107 A HA 0.946 5.274 4.320 0.012 0.000 0.308 107 A C 0.000 177.452 177.584 -0.220 0.000 1.128 107 A CA -1.320 50.642 52.037 -0.126 0.000 0.789 107 A CB 1.201 20.073 19.000 -0.213 0.000 1.325 107 A HN 0.989 9.139 8.150 -0.000 0.000 0.437 108 R N 0.484 120.852 120.500 -0.220 0.000 2.312 108 R HA 0.618 4.966 4.340 0.012 0.000 0.311 108 R C -1.227 174.882 176.300 -0.318 0.000 1.004 108 R CA -0.459 55.452 56.100 -0.314 0.000 0.902 108 R CB 0.748 30.915 30.300 -0.222 0.000 1.073 108 R HN 0.294 8.564 8.270 -0.000 0.000 0.457 109 V N 4.027 123.616 119.914 -0.542 0.000 2.539 109 V HA 0.262 4.390 4.120 0.012 0.000 0.292 109 V C 0.273 176.253 176.094 -0.190 0.000 1.045 109 V CA -0.992 61.060 62.300 -0.412 0.000 0.945 109 V CB 1.485 32.877 31.823 -0.719 0.000 0.993 109 V HN 0.728 8.918 8.190 -0.000 0.000 0.464 110 L N 3.582 124.799 121.223 -0.010 0.000 2.494 110 L HA 0.421 4.769 4.340 0.012 0.000 0.251 110 L C 0.373 177.333 176.870 0.151 0.000 1.119 110 L CA 0.285 55.165 54.840 0.066 0.000 1.026 110 L CB 0.735 42.828 42.059 0.057 0.000 1.370 110 L HN 0.802 9.032 8.230 -0.000 0.000 0.426 111 S N 4.393 120.218 115.700 0.209 0.000 2.462 111 S HA 0.620 5.097 4.470 0.012 0.000 0.294 111 S C -2.414 172.267 174.600 0.134 0.000 1.144 111 S CA -1.469 56.861 58.200 0.216 0.000 1.088 111 S CB 1.170 64.514 63.200 0.240 0.000 1.009 111 S HN 0.292 8.602 8.310 -0.000 0.000 0.484 112 P HA 0.331 4.751 4.420 -0.000 0.000 0.274 112 P C -1.159 176.138 177.300 -0.006 0.000 1.231 112 P CA -0.403 62.744 63.100 0.079 0.000 0.790 112 P CB 0.529 32.285 31.700 0.093 0.000 0.951 113 L N 1.049 122.230 121.223 -0.070 0.000 2.341 113 L HA 0.502 4.849 4.340 0.012 0.000 0.267 113 L C 0.117 176.786 176.870 -0.335 0.000 1.009 113 L CA -0.738 53.930 54.840 -0.287 0.000 0.819 113 L CB 1.686 43.440 42.059 -0.509 0.000 1.323 113 L HN 0.226 8.456 8.230 -0.000 0.000 0.425 114 D N 0.538 120.728 120.400 -0.349 0.000 2.454 114 D HA 0.307 4.954 4.640 0.012 0.000 0.225 114 D C -0.279 175.907 176.300 -0.189 0.000 1.081 114 D CA -0.194 53.667 54.000 -0.232 0.000 0.864 114 D CB 0.568 41.239 40.800 -0.214 0.000 1.040 114 D HN 0.280 8.650 8.370 -0.000 0.000 0.517 115 F N 2.154 122.274 119.950 0.282 0.000 2.676 115 F HA 0.268 4.803 4.527 0.012 0.000 0.300 115 F C 2.184 178.169 175.800 0.309 0.000 1.160 115 F CA -0.348 57.842 58.000 0.317 0.000 1.401 115 F CB 0.153 39.310 39.000 0.262 0.000 1.037 115 F HN 0.280 8.580 8.300 -0.000 0.000 0.522 116 R N 0.532 121.156 120.500 0.207 0.000 2.120 116 R HA -0.003 4.344 4.340 0.012 0.000 0.234 116 R C 1.138 177.329 176.300 -0.182 0.000 1.123 116 R CA 1.091 57.172 56.100 -0.033 0.000 0.975 116 R CB 0.079 30.204 30.300 -0.291 0.000 0.866 116 R HN 0.207 8.477 8.270 -0.000 0.000 0.446 117 R N -0.439 120.006 120.500 -0.091 0.000 2.791 117 R HA 0.027 4.374 4.340 0.012 0.000 0.357 117 R C 0.196 176.626 176.300 0.217 0.000 1.173 117 R CA -0.284 55.759 56.100 -0.096 0.000 1.060 117 R CB 0.219 30.238 30.300 -0.467 0.000 1.406 117 R HN 0.161 8.431 8.270 -0.000 0.000 0.580 118 Y N 3.690 124.137 120.300 0.245 0.000 1.891 118 Y HA -0.317 4.240 4.550 0.012 0.000 0.206 118 Y C -1.062 174.920 175.900 0.137 0.000 1.161 118 Y CA 2.470 60.747 58.100 0.295 0.000 0.966 118 Y CB -1.523 37.131 38.460 0.322 0.000 0.784 118 Y HN 0.095 8.375 8.280 -0.000 0.000 0.549 119 P HA -0.053 4.367 4.420 -0.000 0.000 0.225 119 P C 0.120 176.834 177.300 -0.976 0.000 1.156 119 P CA 1.520 63.983 63.100 -1.060 0.000 0.787 119 P CB -0.244 30.902 31.700 -0.922 0.000 0.802 120 F N 1.210 121.069 119.950 -0.151 0.000 2.701 120 F HA 0.254 4.788 4.527 0.012 0.000 0.315 120 F C 0.432 176.130 175.800 -0.169 0.000 1.277 120 F CA -1.122 56.773 58.000 -0.175 0.000 1.180 120 F CB -0.186 38.761 39.000 -0.089 0.000 1.273 120 F HN -0.122 8.178 8.300 -0.000 0.000 0.532 121 D N -0.867 119.500 120.400 -0.056 0.000 2.342 121 D HA 0.455 5.102 4.640 0.012 0.000 0.243 121 D C -0.621 175.686 176.300 0.012 0.000 1.019 121 D CA -0.641 53.337 54.000 -0.037 0.000 0.864 121 D CB 2.087 42.907 40.800 0.034 0.000 1.315 121 D HN -0.043 8.327 8.370 -0.000 0.000 0.468 122 S N 0.419 116.125 115.700 0.010 0.000 2.578 122 S HA 0.505 4.983 4.470 0.012 0.000 0.301 122 S C -0.851 173.773 174.600 0.040 0.000 1.091 122 S CA -0.664 57.577 58.200 0.067 0.000 1.032 122 S CB 1.357 64.567 63.200 0.017 0.000 1.064 122 S HN 0.371 8.681 8.310 -0.000 0.000 0.508 123 Q N 1.043 120.870 119.800 0.045 0.000 2.433 123 Q HA 0.494 4.841 4.340 0.012 0.000 0.279 123 Q C -0.762 175.133 176.000 -0.175 0.000 1.105 123 Q CA -0.535 55.210 55.803 -0.096 0.000 0.815 123 Q CB 1.966 30.580 28.738 -0.208 0.000 1.403 123 Q HN 0.670 8.940 8.270 -0.000 0.000 0.435 124 T N 1.356 115.777 114.554 -0.223 0.000 2.934 124 T HA 0.606 4.963 4.350 0.012 0.000 0.328 124 T C -0.572 173.858 174.700 -0.449 0.000 1.068 124 T CA -0.419 61.505 62.100 -0.293 0.000 1.018 124 T CB -0.279 68.462 68.868 -0.211 0.000 1.009 124 T HN 0.377 8.617 8.240 -0.000 0.000 0.471 125 L N 4.486 125.405 121.223 -0.506 0.000 2.439 125 L HA 0.631 4.978 4.340 0.012 0.000 0.259 125 L C 0.521 177.075 176.870 -0.527 0.000 1.129 125 L CA -1.151 53.404 54.840 -0.475 0.000 0.803 125 L CB 0.819 42.467 42.059 -0.685 0.000 1.161 125 L HN 0.581 8.811 8.230 -0.000 0.000 0.462 126 H N 1.720 120.780 119.070 -0.016 0.000 2.768 126 H HA 0.601 5.164 4.556 0.012 0.000 0.371 126 H C -0.909 174.346 175.328 -0.122 0.000 1.151 126 H CA -0.488 55.472 56.048 -0.146 0.000 1.165 126 H CB 2.711 32.287 29.762 -0.310 0.000 1.722 126 H HN 0.365 8.645 8.280 -0.000 0.000 0.543 127 I N 1.651 122.169 120.570 -0.087 0.000 2.730 127 I HA 0.115 4.293 4.170 0.012 0.000 0.298 127 I C -0.425 175.557 176.117 -0.226 0.000 1.089 127 I CA -0.504 60.800 61.300 0.008 0.000 1.041 127 I CB 2.177 40.324 38.000 0.245 0.000 1.235 127 I HN 0.494 8.704 8.210 -0.000 0.000 0.423 128 Y N 3.436 123.746 120.300 0.017 0.000 2.697 128 Y HA 0.332 4.890 4.550 0.012 0.000 0.268 128 Y C 0.122 175.919 175.900 -0.173 0.000 1.092 128 Y CA -0.071 58.009 58.100 -0.033 0.000 1.304 128 Y CB 0.253 38.723 38.460 0.017 0.000 1.446 128 Y HN 0.258 8.538 8.280 -0.000 0.000 0.491 129 L N 1.473 122.534 121.223 -0.271 0.000 3.546 129 L HA -0.215 4.132 4.340 0.012 0.000 0.668 129 L C -0.381 176.463 176.870 -0.044 0.000 1.139 129 L CA 0.224 54.906 54.840 -0.264 0.000 1.122 129 L CB -2.107 39.792 42.059 -0.266 0.000 1.545 129 L HN 0.185 8.415 8.230 -0.000 0.000 0.851 130 I N -1.478 119.080 120.570 -0.020 0.000 3.156 130 I HA 0.777 4.955 4.170 0.012 0.000 0.306 130 I C 0.520 176.628 176.117 -0.014 0.000 1.048 130 I CA -0.889 60.417 61.300 0.010 0.000 1.207 130 I CB 1.561 39.559 38.000 -0.004 0.000 1.456 130 I HN 0.113 8.323 8.210 -0.000 0.000 0.616 131 V N 2.564 122.478 119.914 0.000 0.000 2.697 131 V HA 0.384 4.511 4.120 0.012 0.000 0.296 131 V C -0.685 175.408 176.094 -0.002 0.000 1.140 131 V CA -0.491 61.797 62.300 -0.021 0.000 0.921 131 V CB 1.674 33.474 31.823 -0.039 0.000 1.036 131 V HN 0.891 9.081 8.190 -0.000 0.000 0.438 132 R N 3.951 124.445 120.500 -0.010 0.000 2.459 132 R HA 0.690 5.037 4.340 0.012 0.000 0.281 132 R C 0.080 176.386 176.300 0.009 0.000 1.050 132 R CA -0.140 55.962 56.100 0.002 0.000 1.055 132 R CB 1.459 31.755 30.300 -0.007 0.000 1.045 132 R HN 0.826 9.096 8.270 -0.000 0.000 0.495 133 S N 1.018 116.725 115.700 0.013 0.000 2.707 133 S HA 0.321 4.798 4.470 0.012 0.000 0.276 133 S C 0.435 175.042 174.600 0.011 0.000 1.179 133 S CA -0.997 57.210 58.200 0.013 0.000 0.992 133 S CB 1.849 65.051 63.200 0.004 0.000 1.030 133 S HN 0.485 8.795 8.310 -0.000 0.000 0.554 134 V N 0.249 120.165 119.914 0.003 0.000 4.508 134 V HA 0.204 4.332 4.120 0.012 0.000 0.169 134 V C 0.647 176.729 176.094 -0.020 0.000 1.084 134 V CA 0.492 62.791 62.300 -0.001 0.000 1.371 134 V CB -0.427 31.405 31.823 0.015 0.000 1.878 134 V HN 0.960 9.150 8.190 -0.000 0.000 0.506 135 D N -1.168 119.207 120.400 -0.041 0.000 2.401 135 D HA 0.090 4.738 4.640 0.012 0.000 0.269 135 D C 0.319 176.582 176.300 -0.061 0.000 1.117 135 D CA 0.376 54.348 54.000 -0.047 0.000 0.829 135 D CB 0.172 40.941 40.800 -0.051 0.000 1.350 135 D HN 0.416 8.786 8.370 -0.000 0.000 0.529 136 T N 0.825 115.328 114.554 -0.084 0.000 2.875 136 T HA 0.490 4.847 4.350 0.012 0.000 0.284 136 T C 0.046 174.710 174.700 -0.060 0.000 0.995 136 T CA -0.876 61.172 62.100 -0.087 0.000 1.060 136 T CB 1.685 70.469 68.868 -0.141 0.000 0.967 136 T HN -0.080 8.160 8.240 -0.000 0.000 0.476 137 R N 2.147 122.622 120.500 -0.043 0.000 2.531 137 R HA 0.384 4.731 4.340 0.012 0.000 0.273 137 R C -0.450 175.838 176.300 -0.019 0.000 1.070 137 R CA -0.603 55.482 56.100 -0.025 0.000 1.112 137 R CB 0.078 30.366 30.300 -0.020 0.000 1.049 137 R HN 0.608 8.878 8.270 -0.000 0.000 0.508 138 N N 0.948 119.645 118.700 -0.004 0.000 2.443 138 N HA 0.397 5.144 4.740 0.012 0.000 0.269 138 N C -0.726 174.787 175.510 0.006 0.000 0.985 138 N CA -0.278 52.775 53.050 0.005 0.000 0.921 138 N CB 1.658 40.154 38.487 0.016 0.000 1.195 138 N HN 0.352 8.732 8.380 -0.000 0.000 0.492 139 I N 2.580 123.156 120.570 0.009 0.000 2.377 139 I HA 0.350 4.528 4.170 0.012 0.000 0.293 139 I C 0.064 176.195 176.117 0.022 0.000 0.987 139 I CA -1.074 60.230 61.300 0.008 0.000 1.185 139 I CB 1.231 39.232 38.000 0.001 0.000 1.341 139 I HN 0.223 8.433 8.210 -0.000 0.000 0.455 140 V N 5.425 125.351 119.914 0.021 0.000 2.997 140 V HA 0.682 4.809 4.120 0.012 0.000 0.311 140 V C -0.273 175.840 176.094 0.033 0.000 1.066 140 V CA -0.619 61.702 62.300 0.036 0.000 1.039 140 V CB 1.887 33.731 31.823 0.035 0.000 1.081 140 V HN 0.673 8.863 8.190 -0.000 0.000 0.467 141 L N 0.478 121.731 121.223 0.049 0.000 2.794 141 L HA 0.725 5.072 4.340 0.012 0.000 0.261 141 L C -0.487 176.413 176.870 0.051 0.000 0.989 141 L CA -0.587 54.272 54.840 0.031 0.000 0.900 141 L CB 2.038 44.111 42.059 0.023 0.000 1.473 141 L HN 1.038 9.268 8.230 -0.000 0.000 0.414 142 A N 1.552 124.383 122.820 0.018 0.000 2.309 142 A HA 0.697 5.024 4.320 0.012 0.000 0.298 142 A C -0.836 176.777 177.584 0.048 0.000 1.165 142 A CA -0.374 51.688 52.037 0.041 0.000 0.821 142 A CB 1.072 20.040 19.000 -0.053 0.000 1.102 142 A HN 0.330 8.480 8.150 -0.000 0.000 0.500 143 V N 3.353 123.315 119.914 0.081 0.000 2.294 143 V HA 0.153 4.280 4.120 0.012 0.000 0.272 143 V C -0.146 175.987 176.094 0.066 0.000 1.027 143 V CA -0.495 61.844 62.300 0.065 0.000 0.823 143 V CB 0.775 32.640 31.823 0.069 0.000 1.030 143 V HN 0.911 9.101 8.190 -0.000 0.000 0.457 144 D N 3.438 123.862 120.400 0.040 0.000 2.407 144 D HA -0.057 4.591 4.640 0.012 0.000 0.234 144 D C 1.536 177.866 176.300 0.051 0.000 1.029 144 D CA 0.721 54.741 54.000 0.034 0.000 0.937 144 D CB 0.417 41.222 40.800 0.008 0.000 0.882 144 D HN 0.511 8.881 8.370 -0.000 0.000 0.531 145 L N -0.198 121.060 121.223 0.059 0.000 2.354 145 L HA 0.031 4.379 4.340 0.012 0.000 0.212 145 L C 1.827 178.753 176.870 0.094 0.000 1.091 145 L CA 0.656 55.535 54.840 0.064 0.000 0.828 145 L CB 0.154 42.240 42.059 0.044 0.000 0.973 145 L HN -0.208 8.022 8.230 -0.000 0.000 0.461 146 E N -0.328 119.935 120.200 0.104 0.000 2.474 146 E HA -0.060 4.297 4.350 0.012 0.000 0.194 146 E C 1.737 178.459 176.600 0.204 0.000 1.041 146 E CA 0.110 56.598 56.400 0.146 0.000 0.874 146 E CB 0.326 30.099 29.700 0.122 0.000 0.914 146 E HN 0.082 8.442 8.360 -0.000 0.000 0.498 147 K N 0.778 121.269 120.400 0.153 0.000 2.354 147 K HA 0.013 4.340 4.320 0.012 0.000 0.194 147 K C 1.199 177.809 176.600 0.017 0.000 1.038 147 K CA 0.582 56.932 56.287 0.106 0.000 1.052 147 K CB 0.553 33.108 32.500 0.091 0.000 0.861 147 K HN 0.143 8.393 8.250 -0.000 0.000 0.535 148 V N -0.063 119.908 119.914 0.095 0.000 3.440 148 V HA 0.102 4.229 4.120 0.012 0.000 0.274 148 V C 1.015 177.174 176.094 0.108 0.000 1.207 148 V CA 0.397 62.752 62.300 0.090 0.000 1.183 148 V CB -1.837 30.058 31.823 0.121 0.000 0.837 148 V HN 0.191 8.381 8.190 -0.000 0.000 0.532 149 G N 1.348 110.220 108.800 0.121 0.000 2.138 149 G HA2 0.265 4.233 3.960 0.012 0.000 0.263 149 G HA3 0.265 4.233 3.960 0.012 0.000 0.263 149 G C -0.011 174.755 174.900 -0.223 0.000 1.103 149 G CA 0.417 45.409 45.100 -0.180 0.000 1.014 149 G HN 0.849 9.139 8.290 -0.000 0.000 0.418 150 K N 2.553 122.510 120.400 -0.738 0.000 2.399 150 K HA -0.064 4.264 4.320 0.012 0.000 0.362 150 K C -0.588 175.789 176.600 -0.371 0.000 1.480 150 K CA -0.575 55.526 56.287 -0.310 0.000 1.220 150 K CB -0.381 32.121 32.500 0.003 0.000 1.430 150 K HN 0.599 8.849 8.250 -0.000 0.000 0.456 151 N N 1.201 119.713 118.700 -0.313 0.000 2.263 151 N HA 0.048 4.795 4.740 0.012 0.000 0.239 151 N C -0.091 175.410 175.510 -0.015 0.000 1.317 151 N CA 0.052 53.072 53.050 -0.050 0.000 0.909 151 N CB 0.471 38.984 38.487 0.043 0.000 1.171 151 N HN 0.408 8.788 8.380 -0.000 0.000 0.492 152 D N 0.071 120.485 120.400 0.024 0.000 2.434 152 D HA 0.081 4.728 4.640 0.012 0.000 0.232 152 D C -0.488 175.802 176.300 -0.016 0.000 1.166 152 D CA 0.503 54.508 54.000 0.008 0.000 0.830 152 D CB 0.074 40.886 40.800 0.020 0.000 0.960 152 D HN 0.377 8.747 8.370 -0.000 0.000 0.497 153 D N -0.569 119.817 120.400 -0.023 0.000 2.525 153 D HA 0.020 4.667 4.640 0.012 0.000 0.231 153 D C 0.527 176.804 176.300 -0.039 0.000 1.216 153 D CA -0.005 53.964 54.000 -0.051 0.000 0.813 153 D CB 1.425 42.199 40.800 -0.043 0.000 1.108 153 D HN 0.002 8.372 8.370 -0.000 0.000 0.524 154 V N 0.488 120.395 119.914 -0.012 0.000 2.814 154 V HA 0.029 4.156 4.120 0.012 0.000 0.307 154 V C 1.290 177.450 176.094 0.110 0.000 1.089 154 V CA 0.079 62.400 62.300 0.034 0.000 1.212 154 V CB 0.487 32.304 31.823 -0.010 0.000 0.912 154 V HN -0.002 8.188 8.190 -0.000 0.000 0.497 155 F N 2.830 122.786 119.950 0.009 0.000 2.414 155 F HA 0.379 4.914 4.527 0.012 0.000 0.255 155 F C 0.933 176.761 175.800 0.047 0.000 1.032 155 F CA -0.349 57.669 58.000 0.030 0.000 1.049 155 F CB 0.318 39.346 39.000 0.047 0.000 1.140 155 F HN 0.500 8.800 8.300 -0.000 0.000 0.643 156 L N 2.778 124.151 121.223 0.250 0.000 3.639 156 L HA -0.169 4.178 4.340 0.012 0.000 0.648 156 L C -0.242 176.685 176.870 0.094 0.000 1.130 156 L CA 0.669 55.549 54.840 0.067 0.000 1.057 156 L CB -2.188 39.890 42.059 0.031 0.000 1.428 156 L HN 0.501 8.731 8.230 -0.000 0.000 0.829 157 T N 0.030 114.447 114.554 -0.229 0.000 2.849 157 T HA 0.396 4.753 4.350 0.012 0.000 0.289 157 T C 1.535 176.306 174.700 0.119 0.000 1.010 157 T CA 0.282 62.285 62.100 -0.163 0.000 1.161 157 T CB 0.714 69.387 68.868 -0.324 0.000 0.989 157 T HN 1.994 10.234 8.240 -0.000 0.000 0.523 158 G N 1.779 110.624 108.800 0.076 0.000 2.155 158 G HA2 -0.220 3.747 3.960 0.012 0.000 0.257 158 G HA3 -0.220 3.747 3.960 0.012 0.000 0.257 158 G C -0.329 174.410 174.900 -0.269 0.000 0.983 158 G CA -0.101 44.963 45.100 -0.060 0.000 0.676 158 G HN 0.803 9.093 8.290 -0.000 0.000 0.528 159 W N 0.456 121.736 121.300 -0.034 0.000 2.839 159 W HA 0.585 5.252 4.660 0.012 0.000 0.334 159 W C -0.488 176.008 176.519 -0.037 0.000 1.064 159 W CA -1.031 56.284 57.345 -0.051 0.000 1.236 159 W CB 1.228 30.645 29.460 -0.072 0.000 1.405 159 W HN -0.059 8.121 8.180 -0.000 0.000 0.478 160 D N 2.974 123.463 120.400 0.150 0.000 2.304 160 D HA 0.351 4.999 4.640 0.012 0.000 0.250 160 D C -0.223 176.150 176.300 0.122 0.000 1.107 160 D CA -0.000 54.055 54.000 0.092 0.000 0.885 160 D CB 1.458 42.274 40.800 0.027 0.000 1.192 160 D HN 0.191 8.561 8.370 -0.000 0.000 0.436 161 I N 1.808 122.421 120.570 0.071 0.000 2.354 161 I HA 0.111 4.289 4.170 0.012 0.000 0.292 161 I C 1.153 177.280 176.117 0.017 0.000 0.989 161 I CA -0.390 60.927 61.300 0.028 0.000 1.188 161 I CB 1.748 39.748 38.000 0.001 0.000 1.342 161 I HN 0.214 8.424 8.210 -0.000 0.000 0.457 162 E N 2.746 122.950 120.200 0.007 0.000 2.201 162 E HA 0.096 4.453 4.350 0.012 0.000 0.193 162 E C -0.352 176.259 176.600 0.019 0.000 0.957 162 E CA 0.484 56.892 56.400 0.013 0.000 0.858 162 E CB 0.540 30.247 29.700 0.011 0.000 0.816 162 E HN 0.703 9.063 8.360 -0.000 0.000 0.475 163 S N -1.056 114.658 115.700 0.023 0.000 2.602 163 S HA 0.233 4.711 4.470 0.012 0.000 0.301 163 S C -1.268 173.417 174.600 0.141 0.000 1.091 163 S CA -0.861 57.377 58.200 0.065 0.000 0.895 163 S CB -0.482 62.747 63.200 0.048 0.000 1.090 163 S HN 0.146 8.456 8.310 -0.000 0.000 0.449 164 F N 4.021 123.958 119.950 -0.021 0.000 2.361 164 F HA 0.575 5.109 4.527 0.012 0.000 0.364 164 F C 0.573 176.389 175.800 0.026 0.000 1.120 164 F CA -0.165 57.835 58.000 0.000 0.000 1.102 164 F CB 0.937 39.938 39.000 0.002 0.000 1.183 164 F HN 0.992 9.292 8.300 -0.000 0.000 0.476 165 T N 2.400 117.065 114.554 0.185 0.000 2.724 165 T HA 0.927 5.285 4.350 0.012 0.000 0.274 165 T C -0.799 173.838 174.700 -0.105 0.000 0.984 165 T CA -1.000 61.084 62.100 -0.027 0.000 1.024 165 T CB 1.887 70.757 68.868 0.004 0.000 1.320 165 T HN 0.719 8.959 8.240 -0.000 0.000 0.555 166 A N -0.021 122.695 122.820 -0.173 0.000 2.582 166 A HA 0.592 4.919 4.320 0.012 0.000 0.297 166 A C -1.015 176.429 177.584 -0.233 0.000 1.059 166 A CA -0.812 51.042 52.037 -0.306 0.000 0.705 166 A CB 1.196 19.710 19.000 -0.810 0.000 1.279 166 A HN 0.887 9.037 8.150 -0.000 0.000 0.404 167 V N 4.126 123.927 119.914 -0.188 0.000 2.364 167 V HA 0.114 4.242 4.120 0.012 0.000 0.252 167 V C 1.960 177.979 176.094 -0.124 0.000 1.075 167 V CA 0.577 62.812 62.300 -0.108 0.000 1.033 167 V CB -0.101 31.694 31.823 -0.047 0.000 1.116 167 V HN 1.297 9.487 8.190 -0.000 0.000 0.488 168 V N 2.881 122.731 119.914 -0.107 0.000 2.250 168 V HA -0.209 3.918 4.120 0.012 0.000 0.253 168 V C 1.175 177.228 176.094 -0.068 0.000 1.065 168 V CA 1.328 63.575 62.300 -0.089 0.000 1.039 168 V CB -0.692 31.094 31.823 -0.061 0.000 0.647 168 V HN 0.717 8.907 8.190 -0.000 0.000 0.446 169 K N 2.914 123.280 120.400 -0.057 0.000 2.349 169 K HA 0.367 4.695 4.320 0.012 0.000 0.289 169 K C -2.188 174.378 176.600 -0.056 0.000 1.064 169 K CA -1.383 54.873 56.287 -0.052 0.000 0.947 169 K CB 0.745 33.216 32.500 -0.048 0.000 1.007 169 K HN 0.473 8.723 8.250 -0.000 0.000 0.478 170 P HA 0.190 4.610 4.420 -0.000 0.000 0.277 170 P C -1.135 176.101 177.300 -0.107 0.000 1.271 170 P CA -0.670 62.396 63.100 -0.056 0.000 0.795 170 P CB 0.802 32.479 31.700 -0.039 0.000 1.101 171 A N 1.350 124.077 122.820 -0.154 0.000 2.291 171 A HA 0.462 4.789 4.320 0.012 0.000 0.311 171 A C -0.553 176.748 177.584 -0.471 0.000 1.224 171 A CA -0.589 51.235 52.037 -0.355 0.000 0.821 171 A CB -0.220 18.501 19.000 -0.465 0.000 1.172 171 A HN 0.425 8.575 8.150 -0.000 0.000 0.494 172 N N 2.081 120.542 118.700 -0.399 0.000 2.439 172 N HA 0.507 5.255 4.740 0.012 0.000 0.249 172 N C -0.995 174.322 175.510 -0.322 0.000 1.003 172 N CA 0.098 52.989 53.050 -0.265 0.000 0.942 172 N CB 0.355 38.764 38.487 -0.129 0.000 1.115 172 N HN 0.517 8.897 8.380 -0.000 0.000 0.505 173 F N 0.468 120.397 119.950 -0.036 0.000 2.380 173 F HA 0.551 5.085 4.527 0.012 0.000 0.321 173 F C 1.047 176.828 175.800 -0.032 0.000 1.103 173 F CA -1.097 56.880 58.000 -0.038 0.000 1.067 173 F CB 0.899 39.871 39.000 -0.048 0.000 1.265 173 F HN 0.330 8.630 8.300 -0.000 0.000 0.517 174 A N 2.764 125.699 122.820 0.191 0.000 2.444 174 A HA 0.573 4.900 4.320 0.012 0.000 0.332 174 A C -1.296 176.339 177.584 0.085 0.000 1.430 174 A CA -0.357 51.739 52.037 0.099 0.000 0.975 174 A CB -0.123 18.911 19.000 0.057 0.000 1.147 174 A HN 0.552 8.702 8.150 -0.000 0.000 0.524 175 L N 2.187 123.446 121.223 0.059 0.000 2.384 175 L HA 0.419 4.767 4.340 0.012 0.000 0.261 175 L C 0.024 176.891 176.870 -0.006 0.000 1.024 175 L CA 0.217 55.059 54.840 0.003 0.000 0.899 175 L CB -0.456 41.579 42.059 -0.040 0.000 1.243 175 L HN 0.857 9.087 8.230 -0.000 0.000 0.449 176 E N 2.835 123.031 120.200 -0.007 0.000 2.266 176 E HA -0.267 4.090 4.350 0.012 0.000 0.209 176 E C 0.042 176.640 176.600 -0.004 0.000 1.286 176 E CA 0.715 57.109 56.400 -0.010 0.000 0.677 176 E CB -1.095 28.595 29.700 -0.018 0.000 1.173 176 E HN 0.882 9.242 8.360 -0.000 0.000 0.384 177 D N -0.972 119.428 120.400 -0.000 0.000 3.070 177 D HA -0.229 4.418 4.640 0.012 0.000 0.220 177 D C -0.224 176.077 176.300 0.001 0.000 1.176 177 D CA 1.866 55.866 54.000 -0.000 0.000 0.924 177 D CB -0.097 40.701 40.800 -0.004 0.000 1.124 177 D HN 0.406 8.776 8.370 -0.000 0.000 0.411 178 R N -0.447 120.056 120.500 0.005 0.000 2.564 178 R HA 0.461 4.809 4.340 0.012 0.000 0.284 178 R C -1.082 175.230 176.300 0.020 0.000 1.031 178 R CA -1.053 55.051 56.100 0.007 0.000 0.904 178 R CB 1.272 31.574 30.300 0.003 0.000 1.199 178 R HN 0.061 8.331 8.270 -0.000 0.000 0.443 179 L N -0.039 121.198 121.223 0.022 0.000 2.371 179 L HA 0.512 4.859 4.340 0.012 0.000 0.272 179 L C -0.310 176.590 176.870 0.049 0.000 1.124 179 L CA 0.251 55.115 54.840 0.041 0.000 0.816 179 L CB 0.723 42.797 42.059 0.024 0.000 1.129 179 L HN 0.549 8.779 8.230 -0.000 0.000 0.448 180 E N 1.313 121.569 120.200 0.093 0.000 2.264 180 E HA 0.626 4.984 4.350 0.012 0.000 0.260 180 E C -1.069 175.602 176.600 0.117 0.000 0.961 180 E CA -1.023 55.434 56.400 0.094 0.000 0.834 180 E CB 1.880 31.637 29.700 0.095 0.000 1.230 180 E HN 0.695 9.055 8.360 -0.000 0.000 0.412 181 S N 0.828 116.581 115.700 0.088 0.000 2.647 181 S HA 0.265 4.742 4.470 0.012 0.000 0.300 181 S C -1.233 173.422 174.600 0.091 0.000 1.129 181 S CA -0.750 57.488 58.200 0.063 0.000 1.029 181 S CB 0.620 63.831 63.200 0.018 0.000 1.007 181 S HN 0.403 8.713 8.310 -0.000 0.000 0.484 182 K N 5.693 126.168 120.400 0.126 0.000 2.270 182 K HA 0.579 4.907 4.320 0.012 0.000 0.255 182 K C -1.412 175.266 176.600 0.129 0.000 0.936 182 K CA -0.645 55.741 56.287 0.165 0.000 0.809 182 K CB 0.944 33.637 32.500 0.321 0.000 1.131 182 K HN 0.626 8.876 8.250 -0.000 0.000 0.427 183 L N 2.054 123.370 121.223 0.155 0.000 2.322 183 L HA 0.347 4.694 4.340 0.012 0.000 0.269 183 L C -0.647 176.353 176.870 0.216 0.000 1.012 183 L CA -0.959 53.953 54.840 0.120 0.000 0.815 183 L CB 1.836 43.940 42.059 0.075 0.000 1.295 183 L HN 0.704 8.934 8.230 -0.000 0.000 0.438 184 D N 0.761 121.214 120.400 0.089 0.000 2.461 184 D HA 0.236 4.883 4.640 0.012 0.000 0.240 184 D C -1.318 174.970 176.300 -0.021 0.000 1.094 184 D CA -0.202 53.858 54.000 0.101 0.000 0.868 184 D CB 0.478 41.380 40.800 0.169 0.000 1.062 184 D HN 0.117 8.487 8.370 -0.000 0.000 0.530 185 Y N 2.174 122.488 120.300 0.024 0.000 2.383 185 Y HA 0.287 4.844 4.550 0.012 0.000 0.344 185 Y C 0.632 176.662 175.900 0.217 0.000 0.986 185 Y CA -0.325 57.866 58.100 0.151 0.000 1.175 185 Y CB 1.147 39.757 38.460 0.249 0.000 1.152 185 Y HN 0.187 8.467 8.280 -0.000 0.000 0.511 186 Q N 3.637 123.635 119.800 0.331 0.000 2.314 186 Q HA 0.373 4.720 4.340 0.012 0.000 0.259 186 Q C -1.374 174.734 176.000 0.180 0.000 0.951 186 Q CA -1.005 54.876 55.803 0.130 0.000 0.909 186 Q CB 1.865 30.634 28.738 0.051 0.000 1.236 186 Q HN 0.479 8.749 8.270 -0.000 0.000 0.444 187 L N 3.807 124.955 121.223 -0.124 0.000 2.294 187 L HA 0.368 4.715 4.340 0.012 0.000 0.283 187 L C -0.938 175.768 176.870 -0.273 0.000 1.015 187 L CA -0.150 54.531 54.840 -0.265 0.000 0.831 187 L CB 0.854 42.593 42.059 -0.534 0.000 1.217 187 L HN 0.432 8.662 8.230 -0.000 0.000 0.420 188 R N 6.353 126.758 120.500 -0.158 0.000 2.265 188 R HA 0.632 4.980 4.340 0.012 0.000 0.319 188 R C -0.726 175.504 176.300 -0.117 0.000 1.006 188 R CA -0.450 55.568 56.100 -0.137 0.000 0.880 188 R CB 1.209 31.470 30.300 -0.065 0.000 1.077 188 R HN 0.819 9.089 8.270 -0.000 0.000 0.454 189 I N -1.579 118.925 120.570 -0.110 0.000 2.865 189 I HA 0.538 4.715 4.170 0.012 0.000 0.302 189 I C -0.339 175.884 176.117 0.177 0.000 1.140 189 I CA -0.897 60.408 61.300 0.010 0.000 1.021 189 I CB 2.448 40.391 38.000 -0.094 0.000 1.233 189 I HN 0.400 8.610 8.210 -0.000 0.000 0.427 190 S N 3.494 119.344 115.700 0.250 0.000 2.503 190 S HA 0.575 5.052 4.470 0.012 0.000 0.301 190 S C -0.435 174.251 174.600 0.143 0.000 1.087 190 S CA -0.813 57.507 58.200 0.199 0.000 1.042 190 S CB 1.871 65.128 63.200 0.094 0.000 1.043 190 S HN 0.894 9.204 8.310 -0.000 0.000 0.489 191 R N 2.042 122.407 120.500 -0.225 0.000 2.490 191 R HA 0.215 4.562 4.340 0.012 0.000 0.280 191 R C -0.169 175.839 176.300 -0.488 0.000 1.077 191 R CA -0.093 55.493 56.100 -0.856 0.000 1.065 191 R CB 0.334 29.945 30.300 -1.149 0.000 1.003 191 R HN 0.778 9.048 8.270 -0.000 0.000 0.470 192 Q N 4.234 123.684 119.800 -0.584 0.000 2.837 192 Q HA 0.048 4.396 4.340 0.012 0.000 0.235 192 Q C -1.056 174.599 176.000 -0.575 0.000 1.348 192 Q CA -0.299 55.219 55.803 -0.474 0.000 0.990 192 Q CB -0.031 28.509 28.738 -0.331 0.000 1.570 192 Q HN 0.466 8.736 8.270 -0.000 0.000 0.575 193 Y N -0.668 119.293 120.300 -0.565 0.000 2.497 193 Y HA 0.226 4.784 4.550 0.012 0.000 0.334 193 Y C 0.340 176.148 175.900 -0.153 0.000 1.199 193 Y CA -0.364 57.304 58.100 -0.719 0.000 1.425 193 Y CB 0.317 38.314 38.460 -0.772 0.000 1.291 193 Y HN 0.505 8.785 8.280 -0.000 0.000 0.562 194 F N 0.304 120.132 119.950 -0.204 0.000 1.771 194 F HA -0.181 4.354 4.527 0.013 0.000 0.252 194 F C 1.669 177.506 175.800 0.062 0.000 1.272 194 F CA 0.923 58.873 58.000 -0.083 0.000 1.227 194 F CB -1.042 37.807 39.000 -0.250 0.000 2.086 194 F HN 0.411 8.711 8.300 -0.000 0.000 0.104 195 S N 0.867 116.734 115.700 0.279 0.000 2.528 195 S HA -0.159 4.319 4.470 0.012 0.000 0.244 195 S C 1.364 176.055 174.600 0.152 0.000 0.982 195 S CA 1.474 59.776 58.200 0.170 0.000 0.953 195 S CB -0.945 62.429 63.200 0.291 0.000 0.754 195 S HN 0.568 8.878 8.310 -0.000 0.000 0.529 196 Y N 0.818 121.042 120.300 -0.127 0.000 2.457 196 Y HA 0.305 4.862 4.550 0.012 0.000 0.292 196 Y C 1.862 177.685 175.900 -0.129 0.000 1.125 196 Y CA -0.743 57.280 58.100 -0.128 0.000 1.254 196 Y CB -0.484 37.855 38.460 -0.202 0.000 1.012 196 Y HN 0.286 8.566 8.280 -0.000 0.000 0.555 197 I N 0.064 120.615 120.570 -0.032 0.000 2.270 197 I HA -0.086 4.091 4.170 0.012 0.000 0.239 197 I C -0.718 175.297 176.117 -0.170 0.000 1.080 197 I CA 0.614 61.854 61.300 -0.099 0.000 1.383 197 I CB -1.239 36.685 38.000 -0.126 0.000 1.097 197 I HN -0.058 8.152 8.210 -0.000 0.000 0.420 198 P HA -0.014 4.406 4.420 -0.000 0.000 0.234 198 P C 0.573 177.821 177.300 -0.086 0.000 1.167 198 P CA 1.237 64.245 63.100 -0.154 0.000 0.763 198 P CB 0.022 31.622 31.700 -0.166 0.000 0.835 199 N N -1.896 116.755 118.700 -0.081 0.000 2.382 199 N HA 0.156 4.903 4.740 0.012 0.000 0.200 199 N C 0.961 176.492 175.510 0.035 0.000 1.122 199 N CA 0.371 53.413 53.050 -0.013 0.000 0.870 199 N CB 0.860 39.329 38.487 -0.030 0.000 1.176 199 N HN 0.079 8.459 8.380 -0.000 0.000 0.474 200 I N 0.191 120.721 120.570 -0.066 0.000 4.079 200 I HA 0.117 4.295 4.170 0.012 0.000 0.276 200 I C 1.765 177.740 176.117 -0.236 0.000 1.146 200 I CA 0.127 61.377 61.300 -0.083 0.000 1.324 200 I CB -0.230 37.727 38.000 -0.071 0.000 1.638 200 I HN -0.188 8.022 8.210 -0.000 0.000 0.436 201 I N 1.514 121.991 120.570 -0.155 0.000 2.133 201 I HA -0.188 3.989 4.170 0.012 0.000 0.238 201 I C 2.725 178.655 176.117 -0.310 0.000 1.074 201 I CA 1.490 62.700 61.300 -0.152 0.000 1.342 201 I CB -0.931 37.060 38.000 -0.014 0.000 1.053 201 I HN 0.141 8.351 8.210 -0.000 0.000 0.404 202 L N 0.705 121.723 121.223 -0.343 0.000 1.970 202 L HA -0.165 4.182 4.340 0.012 0.000 0.212 202 L C 0.093 176.496 176.870 -0.779 0.000 1.071 202 L CA 2.251 56.737 54.840 -0.591 0.000 0.751 202 L CB -2.304 39.449 42.059 -0.510 0.000 0.889 202 L HN 0.144 8.374 8.230 -0.000 0.000 0.432 203 P HA -0.225 4.195 4.420 -0.000 0.000 0.216 203 P C 1.915 178.781 177.300 -0.722 0.000 1.153 203 P CA 1.629 64.442 63.100 -0.479 0.000 0.858 203 P CB -0.059 31.453 31.700 -0.314 0.000 0.789 204 M N -1.642 117.401 119.600 -0.927 0.000 2.149 204 M HA -0.169 4.318 4.480 0.012 0.000 0.261 204 M C 1.936 177.916 176.300 -0.534 0.000 1.064 204 M CA 1.717 56.547 55.300 -0.784 0.000 1.102 204 M CB -0.563 31.688 32.600 -0.581 0.000 1.369 204 M HN -0.064 8.226 8.290 -0.000 0.000 0.408 205 L N -1.126 119.731 121.223 -0.611 0.000 2.005 205 L HA -0.201 4.146 4.340 0.012 0.000 0.207 205 L C 2.202 178.485 176.870 -0.978 0.000 1.072 205 L CA 1.474 55.827 54.840 -0.811 0.000 0.744 205 L CB -0.625 41.006 42.059 -0.714 0.000 0.895 205 L HN 0.259 8.489 8.230 -0.000 0.000 0.433 206 F N 0.520 120.110 119.950 -0.599 0.000 2.087 206 F HA -0.339 4.196 4.527 0.012 0.000 0.299 206 F C 2.515 178.105 175.800 -0.351 0.000 1.100 206 F CA 1.394 59.164 58.000 -0.382 0.000 1.226 206 F CB -0.457 38.434 39.000 -0.181 0.000 0.983 206 F HN 0.158 8.458 8.300 -0.000 0.000 0.479 207 I N -1.026 119.469 120.570 -0.125 0.000 2.361 207 I HA -0.236 3.941 4.170 0.012 0.000 0.251 207 I C 2.233 178.202 176.117 -0.246 0.000 1.133 207 I CA 1.297 62.534 61.300 -0.105 0.000 1.413 207 I CB -0.644 37.348 38.000 -0.013 0.000 1.073 207 I HN 0.147 8.357 8.210 -0.000 0.000 0.424 208 L N 0.336 121.266 121.223 -0.487 0.000 2.141 208 L HA -0.071 4.276 4.340 0.012 0.000 0.209 208 L C 2.100 178.368 176.870 -1.003 0.000 1.094 208 L CA 1.792 56.135 54.840 -0.828 0.000 0.763 208 L CB -0.591 40.870 42.059 -0.997 0.000 0.908 208 L HN 0.120 8.350 8.230 -0.000 0.000 0.437 209 F N -0.032 119.537 119.950 -0.634 0.000 2.118 209 F HA -0.024 4.510 4.527 0.012 0.000 0.293 209 F C 2.376 177.990 175.800 -0.310 0.000 1.102 209 F CA 0.970 58.686 58.000 -0.474 0.000 1.247 209 F CB -1.164 37.793 39.000 -0.072 0.000 1.017 209 F HN -0.014 8.286 8.300 -0.000 0.000 0.475 210 I N -0.012 120.535 120.570 -0.039 0.000 2.248 210 I HA -0.360 3.817 4.170 0.012 0.000 0.248 210 I C 2.687 178.725 176.117 -0.132 0.000 1.107 210 I CA 1.567 62.826 61.300 -0.069 0.000 1.373 210 I CB -0.820 37.147 38.000 -0.055 0.000 1.055 210 I HN 0.211 8.421 8.210 -0.000 0.000 0.418 211 S N 2.064 117.599 115.700 -0.275 0.000 2.372 211 S HA -0.232 4.245 4.470 0.012 0.000 0.227 211 S C 1.417 175.883 174.600 -0.224 0.000 1.044 211 S CA 1.975 59.975 58.200 -0.332 0.000 1.050 211 S CB -0.547 62.192 63.200 -0.769 0.000 0.901 211 S HN 0.684 8.994 8.310 -0.000 0.000 0.447 212 W N 0.746 121.854 121.300 -0.320 0.000 3.015 212 W HA 0.596 5.262 4.660 0.011 0.000 0.429 212 W C 1.236 177.498 176.519 -0.429 0.000 0.976 212 W CA -0.586 56.407 57.345 -0.587 0.000 2.086 212 W CB -1.485 27.653 29.460 -0.537 0.000 1.125 212 W HN 0.066 8.246 8.180 -0.000 0.000 0.721 213 T N 1.157 115.724 114.554 0.023 0.000 3.098 213 T HA 0.027 4.384 4.350 0.012 0.000 0.266 213 T C 1.748 176.500 174.700 0.087 0.000 1.145 213 T CA 1.753 63.832 62.100 -0.034 0.000 1.092 213 T CB -0.114 68.715 68.868 -0.065 0.000 0.908 213 T HN 0.316 8.556 8.240 -0.000 0.000 0.526 214 A N -0.703 122.107 122.820 -0.016 0.000 2.278 214 A HA 0.351 4.678 4.320 0.012 0.000 0.212 214 A C 1.481 179.201 177.584 0.225 0.000 1.213 214 A CA -0.059 52.015 52.037 0.062 0.000 0.840 214 A CB -0.670 18.328 19.000 -0.002 0.000 0.866 214 A HN 0.664 8.814 8.150 -0.000 0.000 0.489 215 F N -2.055 118.119 119.950 0.372 0.000 2.569 215 F HA -0.019 4.515 4.527 0.011 0.000 0.295 215 F C 1.360 177.214 175.800 0.090 0.000 1.115 215 F CA -0.190 57.911 58.000 0.169 0.000 1.450 215 F CB 0.144 39.178 39.000 0.058 0.000 1.107 215 F HN 0.446 8.746 8.300 -0.000 0.000 0.563 216 W N 1.114 122.497 121.300 0.138 0.000 3.121 216 W HA 0.306 4.972 4.660 0.010 0.000 0.441 216 W C 0.359 176.911 176.519 0.056 0.000 0.878 216 W CA -0.079 57.310 57.345 0.073 0.000 2.101 216 W CB 0.212 29.702 29.460 0.050 0.000 1.067 216 W HN -0.213 7.967 8.180 -0.000 0.000 0.834 217 S N -0.863 114.981 115.700 0.240 0.000 2.556 217 S HA 0.412 4.890 4.470 0.012 0.000 0.271 217 S C 0.608 175.287 174.600 0.132 0.000 1.135 217 S CA -0.307 57.992 58.200 0.166 0.000 0.858 217 S CB 1.862 65.154 63.200 0.153 0.000 1.114 217 S HN -0.040 8.270 8.310 -0.000 0.000 0.468 218 T N 1.566 116.186 114.554 0.110 0.000 3.034 218 T HA 0.140 4.498 4.350 0.012 0.000 0.248 218 T C 0.790 175.579 174.700 0.148 0.000 1.040 218 T CA 0.594 62.758 62.100 0.106 0.000 1.107 218 T CB -0.217 68.695 68.868 0.073 0.000 0.932 218 T HN 0.813 9.053 8.240 -0.000 0.000 0.474 219 S N 1.654 117.437 115.700 0.138 0.000 2.516 219 S HA 0.134 4.611 4.470 0.012 0.000 0.282 219 S C 0.585 175.304 174.600 0.199 0.000 1.286 219 S CA -0.628 57.666 58.200 0.156 0.000 1.066 219 S CB 0.365 63.627 63.200 0.104 0.000 0.884 219 S HN 0.302 8.612 8.310 -0.000 0.000 0.491 220 Y N 2.427 122.760 120.300 0.055 0.000 2.314 220 Y HA 0.047 4.602 4.550 0.008 0.000 0.294 220 Y C 2.333 178.217 175.900 -0.027 0.000 1.119 220 Y CA 1.465 59.548 58.100 -0.029 0.000 1.179 220 Y CB -0.308 38.008 38.460 -0.239 0.000 1.025 220 Y HN 0.806 9.086 8.280 -0.000 0.000 0.541 221 E N 0.541 120.775 120.200 0.057 0.000 2.118 221 E HA -0.166 4.192 4.350 0.012 0.000 0.195 221 E C 1.837 178.408 176.600 -0.048 0.000 0.992 221 E CA 1.353 57.739 56.400 -0.024 0.000 0.804 221 E CB -0.288 29.431 29.700 0.032 0.000 0.741 221 E HN 0.464 8.824 8.360 -0.000 0.000 0.458 222 A N -0.197 122.620 122.820 -0.005 0.000 2.308 222 A HA 0.108 4.436 4.320 0.012 0.000 0.217 222 A C 1.403 178.980 177.584 -0.011 0.000 1.216 222 A CA 0.039 52.073 52.037 -0.005 0.000 0.864 222 A CB 0.013 19.026 19.000 0.022 0.000 0.902 222 A HN 0.061 8.211 8.150 -0.000 0.000 0.499 223 N N -0.569 118.117 118.700 -0.024 0.000 2.280 223 N HA 0.036 4.783 4.740 0.012 0.000 0.192 223 N C 1.448 176.899 175.510 -0.099 0.000 1.109 223 N CA 1.197 54.239 53.050 -0.013 0.000 0.855 223 N CB 0.738 39.276 38.487 0.085 0.000 0.974 223 N HN 0.429 8.809 8.380 -0.000 0.000 0.482 224 V N -3.833 115.961 119.914 -0.201 0.000 2.690 224 V HA 0.116 4.243 4.120 0.012 0.000 0.240 224 V C 1.721 177.753 176.094 -0.103 0.000 1.078 224 V CA 0.858 63.032 62.300 -0.210 0.000 1.102 224 V CB -0.917 30.684 31.823 -0.370 0.000 0.800 224 V HN -0.053 8.137 8.190 -0.000 0.000 0.479 225 T N 1.777 116.276 114.554 -0.092 0.000 2.946 225 T HA -0.053 4.304 4.350 0.012 0.000 0.270 225 T C 1.572 176.256 174.700 -0.027 0.000 1.129 225 T CA 1.810 63.882 62.100 -0.047 0.000 1.103 225 T CB -0.279 68.567 68.868 -0.036 0.000 0.839 225 T HN 0.279 8.519 8.240 -0.000 0.000 0.544 226 L N 0.197 121.401 121.223 -0.031 0.000 2.471 226 L HA 0.152 4.499 4.340 0.012 0.000 0.186 226 L C 2.525 179.391 176.870 -0.008 0.000 1.191 226 L CA 0.933 55.762 54.840 -0.019 0.000 0.835 226 L CB -0.848 41.200 42.059 -0.019 0.000 1.092 226 L HN 0.092 8.322 8.230 -0.000 0.000 0.495 227 V N -0.455 119.454 119.914 -0.009 0.000 2.490 227 V HA -0.201 3.926 4.120 0.012 0.000 0.250 227 V C 2.530 178.689 176.094 0.109 0.000 1.061 227 V CA 1.110 63.424 62.300 0.023 0.000 1.064 227 V CB -0.552 31.294 31.823 0.038 0.000 0.670 227 V HN 0.213 8.403 8.190 -0.000 0.000 0.461 228 V N -0.408 119.542 119.914 0.060 0.000 2.346 228 V HA -0.174 3.954 4.120 0.012 0.000 0.244 228 V C 2.615 178.749 176.094 0.067 0.000 1.037 228 V CA 2.125 64.467 62.300 0.069 0.000 1.029 228 V CB -0.369 31.464 31.823 0.016 0.000 0.663 228 V HN 0.532 8.722 8.190 -0.000 0.000 0.454 229 S N 0.308 116.031 115.700 0.039 0.000 2.402 229 S HA -0.230 4.247 4.470 0.012 0.000 0.233 229 S C 2.137 176.775 174.600 0.063 0.000 1.030 229 S CA 2.107 60.329 58.200 0.036 0.000 1.003 229 S CB -0.381 62.829 63.200 0.017 0.000 0.813 229 S HN 0.900 9.210 8.310 -0.000 0.000 0.477 230 T N 0.315 114.932 114.554 0.104 0.000 2.812 230 T HA 0.041 4.398 4.350 0.012 0.000 0.264 230 T C 1.740 176.549 174.700 0.182 0.000 1.042 230 T CA 0.852 63.051 62.100 0.165 0.000 1.140 230 T CB -0.567 68.409 68.868 0.181 0.000 0.870 230 T HN 0.224 8.464 8.240 -0.000 0.000 0.445 231 L N 1.017 122.346 121.223 0.176 0.000 2.079 231 L HA 0.079 4.426 4.340 0.012 0.000 0.210 231 L C 2.325 179.145 176.870 -0.083 0.000 1.081 231 L CA 1.255 55.983 54.840 -0.187 0.000 0.752 231 L CB -0.835 41.200 42.059 -0.040 0.000 0.896 231 L HN 0.333 8.563 8.230 -0.000 0.000 0.433 232 I N -0.528 120.049 120.570 0.011 0.000 2.069 232 I HA -0.387 3.790 4.170 0.012 0.000 0.237 232 I C 2.519 178.646 176.117 0.016 0.000 1.053 232 I CA 1.572 62.881 61.300 0.015 0.000 1.311 232 I CB -0.617 37.393 38.000 0.018 0.000 1.030 232 I HN 0.385 8.595 8.210 -0.000 0.000 0.398 233 A N -0.472 122.375 122.820 0.046 0.000 2.042 233 A HA -0.336 3.991 4.320 0.012 0.000 0.222 233 A C 2.048 179.735 177.584 0.172 0.000 1.167 233 A CA 2.317 54.409 52.037 0.092 0.000 0.649 233 A CB -1.069 18.013 19.000 0.137 0.000 0.809 233 A HN 0.641 8.791 8.150 -0.000 0.000 0.457 234 H N -0.400 118.648 119.070 -0.036 0.000 2.372 234 H HA 0.068 4.631 4.556 0.012 0.000 0.301 234 H C 1.678 176.948 175.328 -0.097 0.000 1.065 234 H CA 1.706 57.683 56.048 -0.120 0.000 1.364 234 H CB -0.199 29.245 29.762 -0.529 0.000 1.406 234 H HN 0.436 8.716 8.280 -0.000 0.000 0.521 235 I N 0.415 120.945 120.570 -0.067 0.000 2.361 235 I HA -0.245 3.932 4.170 0.012 0.000 0.251 235 I C 2.663 178.717 176.117 -0.105 0.000 1.133 235 I CA 0.961 62.239 61.300 -0.036 0.000 1.413 235 I CB -0.458 37.569 38.000 0.045 0.000 1.073 235 I HN 0.394 8.604 8.210 -0.000 0.000 0.424 236 A N 0.751 123.489 122.820 -0.137 0.000 1.940 236 A HA -0.195 4.133 4.320 0.012 0.000 0.219 236 A C 2.036 179.346 177.584 -0.456 0.000 1.176 236 A CA 1.737 53.600 52.037 -0.290 0.000 0.631 236 A CB -0.847 17.939 19.000 -0.357 0.000 0.814 236 A HN 0.397 8.547 8.150 -0.000 0.000 0.446 237 F N -0.729 119.078 119.950 -0.238 0.000 2.317 237 F HA 0.030 4.564 4.527 0.012 0.000 0.293 237 F C 2.105 177.736 175.800 -0.281 0.000 1.085 237 F CA 0.955 58.794 58.000 -0.267 0.000 1.390 237 F CB -0.528 38.286 39.000 -0.310 0.000 1.077 237 F HN 0.298 8.598 8.300 -0.000 0.000 0.517 238 N N 0.985 119.559 118.700 -0.210 0.000 2.149 238 N HA -0.200 4.547 4.740 0.012 0.000 0.188 238 N C 1.642 177.117 175.510 -0.059 0.000 1.019 238 N CA 1.498 54.475 53.050 -0.122 0.000 0.857 238 N CB -0.274 38.206 38.487 -0.011 0.000 0.997 238 N HN 0.267 8.647 8.380 -0.000 0.000 0.426 239 I N -0.708 119.810 120.570 -0.086 0.000 2.703 239 I HA -0.055 4.123 4.170 0.012 0.000 0.259 239 I C 1.724 177.778 176.117 -0.105 0.000 1.151 239 I CA 0.137 61.388 61.300 -0.081 0.000 1.470 239 I CB 0.058 38.009 38.000 -0.082 0.000 1.112 239 I HN 0.207 8.417 8.210 -0.000 0.000 0.437 240 L N -0.214 120.924 121.223 -0.141 0.000 2.141 240 L HA -0.132 4.215 4.340 0.012 0.000 0.209 240 L C 2.102 178.912 176.870 -0.100 0.000 1.094 240 L CA 1.682 56.436 54.840 -0.145 0.000 0.763 240 L CB -0.109 41.825 42.059 -0.208 0.000 0.908 240 L HN -0.001 8.229 8.230 -0.000 0.000 0.437 241 V N -1.319 118.551 119.914 -0.072 0.000 2.575 241 V HA -0.100 4.027 4.120 0.012 0.000 0.242 241 V C 2.265 178.299 176.094 -0.101 0.000 1.045 241 V CA 1.165 63.435 62.300 -0.051 0.000 1.065 241 V CB -0.297 31.535 31.823 0.014 0.000 0.717 241 V HN 0.455 8.645 8.190 -0.000 0.000 0.467 242 E N -0.052 120.095 120.200 -0.087 0.000 2.396 242 E HA -0.213 4.145 4.350 0.012 0.000 0.200 242 E C 2.024 178.544 176.600 -0.132 0.000 1.023 242 E CA 1.460 57.797 56.400 -0.106 0.000 0.857 242 E CB 0.107 29.770 29.700 -0.063 0.000 0.775 242 E HN 0.557 8.917 8.360 -0.000 0.000 0.525 243 T N 0.141 114.624 114.554 -0.119 0.000 2.837 243 T HA 0.018 4.375 4.350 0.012 0.000 0.248 243 T C 1.113 175.739 174.700 -0.122 0.000 1.033 243 T CA 0.284 62.318 62.100 -0.109 0.000 1.150 243 T CB 0.007 68.822 68.868 -0.088 0.000 0.865 243 T HN 0.118 8.358 8.240 -0.000 0.000 0.425 244 N N 1.844 120.472 118.700 -0.119 0.000 2.906 244 N HA 0.214 4.961 4.740 0.012 0.000 0.282 244 N C -1.188 174.190 175.510 -0.219 0.000 1.293 244 N CA 0.153 53.142 53.050 -0.102 0.000 1.059 244 N CB -0.002 38.468 38.487 -0.028 0.000 1.388 244 N HN 0.170 8.550 8.380 -0.000 0.000 0.533 245 L N 0.624 121.662 121.223 -0.309 0.000 2.735 245 L HA 0.329 4.676 4.340 0.012 0.000 0.258 245 L C -2.459 174.151 176.870 -0.434 0.000 0.920 245 L CA -1.307 53.197 54.840 -0.560 0.000 0.958 245 L CB 2.359 43.992 42.059 -0.710 0.000 1.499 245 L HN -0.027 8.203 8.230 -0.000 0.000 0.441 246 P HA 0.199 4.619 4.420 -0.000 0.000 0.274 246 P C -1.000 176.147 177.300 -0.255 0.000 1.256 246 P CA -0.513 62.425 63.100 -0.270 0.000 0.795 246 P CB 0.570 32.169 31.700 -0.169 0.000 1.038 247 K N 1.299 121.602 120.400 -0.161 0.000 2.121 247 K HA 0.108 4.435 4.320 0.012 0.000 0.235 247 K C 0.378 176.878 176.600 -0.168 0.000 1.200 247 K CA 0.228 56.425 56.287 -0.151 0.000 1.115 247 K CB -1.521 30.921 32.500 -0.097 0.000 1.474 247 K HN 0.523 8.773 8.250 -0.000 0.000 0.295 248 T N -0.404 113.979 114.554 -0.285 0.000 2.934 248 T HA 0.091 4.448 4.350 0.012 0.000 0.306 248 T C -1.087 173.383 174.700 -0.383 0.000 1.042 248 T CA -0.956 60.855 62.100 -0.482 0.000 1.145 248 T CB 0.724 69.032 68.868 -0.933 0.000 0.982 248 T HN 0.236 8.476 8.240 -0.000 0.000 0.544 249 P HA 0.159 4.579 4.420 -0.000 0.000 0.255 249 P C -0.307 177.022 177.300 0.049 0.000 1.248 249 P CA 0.048 63.126 63.100 -0.037 0.000 0.807 249 P CB -0.167 31.585 31.700 0.086 0.000 1.150 250 Y N -1.846 118.481 120.300 0.045 0.000 2.772 250 Y HA 0.786 5.343 4.550 0.012 0.000 0.324 250 Y C 0.038 175.977 175.900 0.065 0.000 1.169 250 Y CA -2.244 55.889 58.100 0.056 0.000 1.198 250 Y CB 0.056 38.554 38.460 0.063 0.000 1.402 250 Y HN -0.355 7.925 8.280 -0.000 0.000 0.577 251 M N 2.052 121.847 119.600 0.324 0.000 2.205 251 M HA 0.425 4.912 4.480 0.012 0.000 0.344 251 M C -0.803 175.710 176.300 0.356 0.000 1.085 251 M CA -0.343 55.106 55.300 0.249 0.000 1.001 251 M CB 1.416 34.156 32.600 0.234 0.000 1.626 251 M HN 0.845 9.135 8.290 -0.000 0.000 0.442 252 T N 2.514 117.225 114.554 0.261 0.000 2.860 252 T HA 0.084 4.442 4.350 0.012 0.000 0.299 252 T C 0.603 175.585 174.700 0.471 0.000 1.045 252 T CA -0.264 62.021 62.100 0.308 0.000 1.071 252 T CB 0.364 69.376 68.868 0.242 0.000 0.985 252 T HN 0.703 8.943 8.240 -0.000 0.000 0.537 253 Y N 1.873 122.390 120.300 0.361 0.000 2.163 253 Y HA -0.112 4.446 4.550 0.013 0.000 0.288 253 Y C 2.635 178.857 175.900 0.537 0.000 1.136 253 Y CA 2.137 60.660 58.100 0.706 0.000 1.147 253 Y CB -1.080 37.780 38.460 0.666 0.000 0.987 253 Y HN 0.780 9.060 8.280 -0.000 0.000 0.509 254 T N -1.453 113.339 114.554 0.397 0.000 2.951 254 T HA -0.034 4.323 4.350 0.012 0.000 0.268 254 T C 2.104 176.908 174.700 0.174 0.000 1.073 254 T CA 0.985 63.223 62.100 0.230 0.000 1.134 254 T CB -0.992 68.113 68.868 0.396 0.000 0.884 254 T HN 0.479 8.719 8.240 -0.000 0.000 0.479 255 G N 1.027 109.956 108.800 0.215 0.000 2.448 255 G HA2 0.145 4.113 3.960 0.012 0.000 0.218 255 G HA3 0.145 4.113 3.960 0.012 0.000 0.218 255 G C 1.653 176.675 174.900 0.203 0.000 1.135 255 G CA 0.639 45.845 45.100 0.177 0.000 0.784 255 G HN 0.621 8.911 8.290 -0.000 0.000 0.543 256 A N 1.710 124.647 122.820 0.195 0.000 1.823 256 A HA 0.061 4.388 4.320 0.012 0.000 0.214 256 A C 2.396 180.056 177.584 0.126 0.000 1.225 256 A CA 1.458 53.585 52.037 0.151 0.000 0.604 256 A CB -0.626 18.445 19.000 0.117 0.000 0.878 256 A HN 0.694 8.844 8.150 -0.000 0.000 0.450 257 I N -2.268 118.275 120.570 -0.045 0.000 2.454 257 I HA -0.123 4.055 4.170 0.012 0.000 0.254 257 I C 2.103 178.256 176.117 0.059 0.000 1.156 257 I CA 1.568 62.832 61.300 -0.060 0.000 1.433 257 I CB -0.211 37.664 38.000 -0.208 0.000 1.082 257 I HN 0.326 8.536 8.210 -0.000 0.000 0.432 258 I N 0.027 120.667 120.570 0.117 0.000 2.676 258 I HA -0.204 3.973 4.170 0.012 0.000 0.259 258 I C 2.100 178.394 176.117 0.295 0.000 1.194 258 I CA 1.212 62.611 61.300 0.166 0.000 1.473 258 I CB 0.058 38.132 38.000 0.123 0.000 1.096 258 I HN 0.396 8.606 8.210 -0.000 0.000 0.443 259 F N -0.008 120.057 119.950 0.191 0.000 2.505 259 F HA 0.009 4.544 4.527 0.013 0.000 0.289 259 F C 2.181 178.116 175.800 0.224 0.000 1.101 259 F CA 0.467 58.653 58.000 0.309 0.000 1.446 259 F CB -0.012 39.112 39.000 0.207 0.000 1.123 259 F HN -0.121 8.179 8.300 -0.000 0.000 0.564 260 M N 0.326 120.115 119.600 0.315 0.000 2.202 260 M HA -0.180 4.307 4.480 0.012 0.000 0.262 260 M C 1.726 178.039 176.300 0.021 0.000 1.063 260 M CA 1.557 56.958 55.300 0.168 0.000 1.097 260 M CB -0.337 32.307 32.600 0.074 0.000 1.382 260 M HN 0.196 8.486 8.290 -0.000 0.000 0.413 261 I N 0.044 120.587 120.570 -0.044 0.000 2.179 261 I HA -0.274 3.903 4.170 0.012 0.000 0.242 261 I C 2.115 178.164 176.117 -0.113 0.000 1.088 261 I CA 1.433 62.632 61.300 -0.169 0.000 1.357 261 I CB -1.855 35.955 38.000 -0.316 0.000 1.051 261 I HN 0.269 8.479 8.210 -0.000 0.000 0.409 262 Y N 0.524 120.687 120.300 -0.229 0.000 2.219 262 Y HA -0.270 4.287 4.550 0.012 0.000 0.283 262 Y C 2.355 178.237 175.900 -0.030 0.000 1.191 262 Y CA 1.167 59.115 58.100 -0.253 0.000 1.199 262 Y CB -0.518 37.702 38.460 -0.401 0.000 0.972 262 Y HN 0.093 8.373 8.280 -0.000 0.000 0.527 263 L N -1.953 119.382 121.223 0.187 0.000 2.023 263 L HA -0.157 4.190 4.340 0.012 0.000 0.205 263 L C 1.962 179.073 176.870 0.400 0.000 1.073 263 L CA 1.459 56.480 54.840 0.300 0.000 0.745 263 L CB -1.726 40.525 42.059 0.320 0.000 0.900 263 L HN 0.109 8.339 8.230 -0.000 0.000 0.435 264 F N -1.730 118.263 119.950 0.071 0.000 2.605 264 F HA -0.186 4.348 4.527 0.012 0.000 0.296 264 F C 2.004 177.805 175.800 0.001 0.000 1.146 264 F CA 0.545 58.518 58.000 -0.045 0.000 1.478 264 F CB -1.021 37.959 39.000 -0.033 0.000 1.107 264 F HN 0.106 8.406 8.300 -0.000 0.000 0.600 265 Y N -3.246 117.158 120.300 0.173 0.000 2.524 265 Y HA 0.027 4.584 4.550 0.012 0.000 0.270 265 Y C 2.103 178.138 175.900 0.226 0.000 1.094 265 Y CA 0.083 58.265 58.100 0.136 0.000 1.276 265 Y CB -0.408 38.072 38.460 0.032 0.000 1.130 265 Y HN -0.011 8.269 8.280 -0.000 0.000 0.536 266 F N 0.127 120.226 119.950 0.248 0.000 2.149 266 F HA -0.110 4.425 4.527 0.014 0.000 0.294 266 F C 2.327 178.238 175.800 0.185 0.000 1.095 266 F CA 1.471 59.579 58.000 0.180 0.000 1.276 266 F CB -0.597 38.476 39.000 0.122 0.000 1.023 266 F HN -0.117 8.183 8.300 -0.000 0.000 0.480 267 V N -1.146 118.888 119.914 0.201 0.000 2.809 267 V HA 0.049 4.176 4.120 0.012 0.000 0.256 267 V C 2.279 178.632 176.094 0.432 0.000 1.080 267 V CA 1.267 63.678 62.300 0.184 0.000 1.102 267 V CB -1.694 30.210 31.823 0.136 0.000 0.705 267 V HN 0.289 8.479 8.190 -0.000 0.000 0.475 268 A N 0.413 123.541 122.820 0.513 0.000 1.877 268 A HA -0.073 4.254 4.320 0.012 0.000 0.216 268 A C 2.329 180.128 177.584 0.359 0.000 1.186 268 A CA 2.097 54.553 52.037 0.698 0.000 0.620 268 A CB -0.861 18.453 19.000 0.522 0.000 0.822 268 A HN 0.450 8.600 8.150 -0.000 0.000 0.443 269 V N 0.211 120.244 119.914 0.200 0.000 3.217 269 V HA -0.117 4.011 4.120 0.012 0.000 0.264 269 V C 2.170 178.281 176.094 0.028 0.000 1.135 269 V CA 0.885 63.245 62.300 0.101 0.000 1.142 269 V CB -0.412 31.451 31.823 0.067 0.000 0.754 269 V HN 0.463 8.653 8.190 -0.000 0.000 0.484 270 I N -0.080 120.479 120.570 -0.018 0.000 2.193 270 I HA -0.098 4.079 4.170 0.012 0.000 0.240 270 I C 2.587 178.742 176.117 0.063 0.000 1.084 270 I CA 1.413 62.684 61.300 -0.047 0.000 1.365 270 I CB -1.009 36.939 38.000 -0.087 0.000 1.064 270 I HN 0.374 8.584 8.210 -0.000 0.000 0.410 271 E N 1.357 121.634 120.200 0.128 0.000 2.049 271 E HA -0.198 4.160 4.350 0.012 0.000 0.198 271 E C 2.153 178.834 176.600 0.135 0.000 1.007 271 E CA 2.548 59.002 56.400 0.091 0.000 0.809 271 E CB -0.207 29.508 29.700 0.025 0.000 0.749 271 E HN 0.337 8.697 8.360 -0.000 0.000 0.450 272 V N -0.761 119.288 119.914 0.224 0.000 2.594 272 V HA -0.160 3.967 4.120 0.012 0.000 0.253 272 V C 2.354 178.622 176.094 0.290 0.000 1.069 272 V CA 2.160 64.618 62.300 0.264 0.000 1.082 272 V CB -1.291 30.696 31.823 0.275 0.000 0.680 272 V HN 0.092 8.282 8.190 -0.000 0.000 0.469 273 T N -0.106 114.594 114.554 0.242 0.000 2.812 273 T HA -0.036 4.321 4.350 0.012 0.000 0.264 273 T C 1.903 176.646 174.700 0.072 0.000 1.042 273 T CA 1.692 63.894 62.100 0.171 0.000 1.140 273 T CB -0.001 68.947 68.868 0.134 0.000 0.870 273 T HN 0.330 8.570 8.240 -0.000 0.000 0.445 274 V N 1.488 121.449 119.914 0.078 0.000 2.871 274 V HA 0.018 4.146 4.120 0.012 0.000 0.256 274 V C 2.225 178.346 176.094 0.046 0.000 1.082 274 V CA 1.076 63.414 62.300 0.064 0.000 1.105 274 V CB -0.297 31.547 31.823 0.036 0.000 0.713 274 V HN 0.470 8.660 8.190 -0.000 0.000 0.473 275 Q N -1.225 118.607 119.800 0.053 0.000 2.452 275 Q HA -0.153 4.194 4.340 0.012 0.000 0.214 275 Q C 1.299 177.334 176.000 0.057 0.000 0.966 275 Q CA 0.946 56.771 55.803 0.036 0.000 0.964 275 Q CB 0.030 28.800 28.738 0.053 0.000 0.992 275 Q HN 0.845 9.115 8.270 -0.000 0.000 0.517 276 H N -1.829 117.189 119.070 -0.087 0.000 2.089 276 H HA 0.040 4.601 4.556 0.008 0.000 0.206 276 H C 0.065 175.348 175.328 -0.075 0.000 0.872 276 H CA 0.021 55.977 56.048 -0.154 0.000 0.979 276 H CB 0.097 29.603 29.762 -0.427 0.000 1.266 276 H HN 0.252 8.532 8.280 -0.000 0.000 0.389 277 Y N 0.827 121.092 120.300 -0.059 0.000 2.487 277 Y HA 0.205 4.761 4.550 0.010 0.000 0.339 277 Y C 0.201 176.051 175.900 -0.084 0.000 1.191 277 Y CA 0.352 58.405 58.100 -0.079 0.000 1.279 277 Y CB 0.020 38.460 38.460 -0.034 0.000 1.122 277 Y HN 0.282 8.562 8.280 -0.000 0.000 0.500 278 L N 0.295 121.439 121.223 -0.131 0.000 3.631 278 L HA 0.258 4.605 4.340 0.012 0.000 0.346 278 L C 0.231 177.012 176.870 -0.148 0.000 1.329 278 L CA 0.111 54.862 54.840 -0.149 0.000 1.018 278 L CB 0.197 42.214 42.059 -0.070 0.000 1.412 278 L HN 0.033 8.263 8.230 -0.000 0.000 0.618 279 K N -1.271 119.012 120.400 -0.195 0.000 2.618 279 K HA 0.171 4.499 4.320 0.012 0.000 0.205 279 K C 0.874 177.327 176.600 -0.245 0.000 1.445 279 K CA 0.957 57.133 56.287 -0.185 0.000 1.034 279 K CB 0.843 33.258 32.500 -0.143 0.000 1.209 279 K HN 0.170 8.420 8.250 -0.000 0.000 0.627 280 V N -1.791 117.938 119.914 -0.309 0.000 3.379 280 V HA 0.298 4.425 4.120 0.012 0.000 0.249 280 V C 0.292 176.237 176.094 -0.248 0.000 1.184 280 V CA -0.071 62.059 62.300 -0.283 0.000 1.106 280 V CB 0.243 31.878 31.823 -0.314 0.000 0.826 280 V HN 0.025 8.215 8.190 -0.000 0.000 0.465 281 E N 2.139 122.149 120.200 -0.318 0.000 2.180 281 E HA 0.276 4.634 4.350 0.012 0.000 0.283 281 E C -0.178 176.300 176.600 -0.204 0.000 1.061 281 E CA 0.013 56.234 56.400 -0.299 0.000 0.861 281 E CB 1.429 30.878 29.700 -0.418 0.000 1.056 281 E HN 0.338 8.698 8.360 -0.000 0.000 0.407 282 S N 3.198 118.805 115.700 -0.154 0.000 4.027 282 S HA -0.049 4.428 4.470 0.012 0.000 0.188 282 S C 0.663 175.200 174.600 -0.106 0.000 1.230 282 S CA 0.379 58.508 58.200 -0.118 0.000 0.920 282 S CB -0.378 62.767 63.200 -0.092 0.000 1.577 282 S HN 0.398 8.708 8.310 -0.000 0.000 0.445 283 Q N 1.171 120.902 119.800 -0.115 0.000 2.215 283 Q HA 0.211 4.558 4.340 0.012 0.000 0.337 283 Q C -2.259 173.686 176.000 -0.093 0.000 0.887 283 Q CA -1.503 54.240 55.803 -0.099 0.000 1.134 283 Q CB 0.461 29.136 28.738 -0.106 0.000 1.303 283 Q HN 0.236 8.506 8.270 -0.000 0.000 0.421 284 P HA -0.102 4.318 4.420 -0.000 0.000 0.229 284 P C 0.912 178.167 177.300 -0.075 0.000 1.150 284 P CA 1.118 64.169 63.100 -0.081 0.000 0.765 284 P CB 0.122 31.779 31.700 -0.072 0.000 0.783 285 A N 0.212 122.988 122.820 -0.072 0.000 1.884 285 A HA -0.281 4.046 4.320 0.012 0.000 0.219 285 A C 2.389 179.927 177.584 -0.075 0.000 1.197 285 A CA 2.215 54.211 52.037 -0.068 0.000 0.637 285 A CB -0.998 17.964 19.000 -0.063 0.000 0.827 285 A HN 0.064 8.214 8.150 -0.000 0.000 0.450 286 R N -0.983 119.470 120.500 -0.078 0.000 2.140 286 R HA 0.275 4.622 4.340 0.012 0.000 0.213 286 R C 2.242 178.488 176.300 -0.090 0.000 1.059 286 R CA 1.243 57.294 56.100 -0.082 0.000 1.000 286 R CB -0.676 29.579 30.300 -0.076 0.000 0.910 286 R HN 0.464 8.734 8.270 -0.000 0.000 0.455 287 A N 0.506 123.274 122.820 -0.087 0.000 1.834 287 A HA -0.068 4.259 4.320 0.012 0.000 0.216 287 A C 1.977 179.501 177.584 -0.100 0.000 1.203 287 A CA 1.752 53.739 52.037 -0.084 0.000 0.621 287 A CB -1.233 17.722 19.000 -0.075 0.000 0.841 287 A HN 0.354 8.504 8.150 -0.000 0.000 0.446 288 A N -1.065 121.697 122.820 -0.097 0.000 2.250 288 A HA 0.307 4.635 4.320 0.012 0.000 0.208 288 A C 1.878 179.379 177.584 -0.139 0.000 1.254 288 A CA 1.245 53.212 52.037 -0.117 0.000 0.858 288 A CB -0.567 18.375 19.000 -0.097 0.000 0.820 288 A HN 0.450 8.600 8.150 -0.000 0.000 0.484 289 S N -0.715 114.904 115.700 -0.135 0.000 2.433 289 S HA 0.101 4.578 4.470 0.012 0.000 0.216 289 S C 1.812 176.303 174.600 -0.182 0.000 1.031 289 S CA 0.482 58.596 58.200 -0.143 0.000 0.931 289 S CB -0.294 62.838 63.200 -0.114 0.000 0.875 289 S HN 0.511 8.821 8.310 -0.000 0.000 0.553 290 I N 1.641 122.107 120.570 -0.173 0.000 2.068 290 I HA -0.268 3.909 4.170 0.012 0.000 0.238 290 I C 2.423 178.347 176.117 -0.322 0.000 1.046 290 I CA 1.768 62.936 61.300 -0.219 0.000 1.306 290 I CB -0.873 37.022 38.000 -0.174 0.000 1.023 290 I HN 0.339 8.549 8.210 -0.000 0.000 0.399 291 T N 0.343 114.723 114.554 -0.289 0.000 2.721 291 T HA -0.259 4.098 4.350 0.012 0.000 0.268 291 T C 2.051 176.461 174.700 -0.485 0.000 1.038 291 T CA 1.297 63.184 62.100 -0.357 0.000 1.145 291 T CB -0.293 68.460 68.868 -0.191 0.000 0.858 291 T HN 0.187 8.427 8.240 -0.000 0.000 0.459 292 R N 0.829 121.093 120.500 -0.394 0.000 2.092 292 R HA 0.118 4.465 4.340 0.012 0.000 0.231 292 R C 2.575 178.617 176.300 -0.432 0.000 1.119 292 R CA 1.499 57.348 56.100 -0.419 0.000 0.970 292 R CB -0.933 29.193 30.300 -0.290 0.000 0.864 292 R HN 0.459 8.729 8.270 -0.000 0.000 0.440 293 A N -0.089 122.498 122.820 -0.387 0.000 1.855 293 A HA -0.095 4.232 4.320 0.012 0.000 0.215 293 A C 2.296 179.587 177.584 -0.488 0.000 1.191 293 A CA 1.739 53.564 52.037 -0.354 0.000 0.613 293 A CB -0.699 18.134 19.000 -0.279 0.000 0.829 293 A HN 0.337 8.487 8.150 -0.000 0.000 0.442 294 S N -0.087 115.168 115.700 -0.741 0.000 2.407 294 S HA -0.241 4.237 4.470 0.012 0.000 0.235 294 S C 1.866 175.835 174.600 -1.052 0.000 1.036 294 S CA 1.629 59.088 58.200 -1.235 0.000 1.013 294 S CB -0.433 61.514 63.200 -2.087 0.000 0.820 294 S HN 0.600 8.910 8.310 -0.000 0.000 0.476 295 R N 0.006 120.048 120.500 -0.764 0.000 2.249 295 R HA -0.001 4.346 4.340 0.012 0.000 0.230 295 R C 1.313 177.545 176.300 -0.113 0.000 1.121 295 R CA 0.858 56.747 56.100 -0.352 0.000 0.997 295 R CB -0.155 29.697 30.300 -0.747 0.000 0.867 295 R HN 0.385 8.655 8.270 -0.000 0.000 0.465 296 I N -1.257 119.184 120.570 -0.215 0.000 3.673 296 I HA 0.103 4.280 4.170 0.012 0.000 0.281 296 I C 2.279 178.345 176.117 -0.084 0.000 1.182 296 I CA 0.532 61.769 61.300 -0.106 0.000 1.391 296 I CB -1.241 36.704 38.000 -0.092 0.000 1.383 296 I HN -0.009 8.201 8.210 -0.000 0.000 0.456 297 A N 1.722 124.461 122.820 -0.135 0.000 1.894 297 A HA -0.274 4.054 4.320 0.012 0.000 0.220 297 A C 2.309 179.983 177.584 0.150 0.000 1.237 297 A CA 2.037 54.061 52.037 -0.022 0.000 0.660 297 A CB -1.317 17.632 19.000 -0.084 0.000 0.835 297 A HN 0.343 8.493 8.150 -0.000 0.000 0.461 298 F N -0.014 119.784 119.950 -0.254 0.000 2.014 298 F HA -0.122 4.413 4.527 0.013 0.000 0.295 298 F C -0.091 175.626 175.800 -0.138 0.000 1.145 298 F CA 1.358 59.184 58.000 -0.290 0.000 1.178 298 F CB -1.279 37.427 39.000 -0.491 0.000 0.972 298 F HN 0.190 8.490 8.300 -0.000 0.000 0.476 299 P HA -0.134 4.286 4.420 -0.000 0.000 0.219 299 P C 1.485 178.974 177.300 0.314 0.000 1.146 299 P CA 1.148 64.329 63.100 0.135 0.000 0.808 299 P CB -0.031 31.663 31.700 -0.010 0.000 0.779 300 V N -0.872 119.163 119.914 0.201 0.000 2.331 300 V HA -0.144 3.983 4.120 0.012 0.000 0.242 300 V C 2.429 178.665 176.094 0.236 0.000 1.034 300 V CA 1.380 63.790 62.300 0.183 0.000 1.027 300 V CB -1.204 30.677 31.823 0.097 0.000 0.667 300 V HN -0.080 8.110 8.190 -0.000 0.000 0.457 301 V N -0.073 119.987 119.914 0.242 0.000 2.380 301 V HA -0.312 3.815 4.120 0.012 0.000 0.251 301 V C 2.134 178.522 176.094 0.490 0.000 1.063 301 V CA 2.563 65.023 62.300 0.267 0.000 1.055 301 V CB -0.797 31.110 31.823 0.140 0.000 0.657 301 V HN 0.551 8.741 8.190 -0.000 0.000 0.455 302 F N 0.359 120.654 119.950 0.576 0.000 2.022 302 F HA -0.144 4.391 4.527 0.013 0.000 0.293 302 F C 2.174 178.129 175.800 0.259 0.000 1.142 302 F CA 1.983 60.316 58.000 0.556 0.000 1.177 302 F CB -0.606 38.812 39.000 0.697 0.000 0.982 302 F HN 0.055 8.355 8.300 -0.000 0.000 0.473 303 L N -0.171 121.230 121.223 0.298 0.000 2.189 303 L HA -0.217 4.130 4.340 0.012 0.000 0.214 303 L C 2.061 178.939 176.870 0.013 0.000 1.097 303 L CA 1.257 56.152 54.840 0.092 0.000 0.764 303 L CB -0.401 41.781 42.059 0.205 0.000 0.900 303 L HN 0.406 8.636 8.230 -0.000 0.000 0.436 304 L N -0.703 120.565 121.223 0.075 0.000 2.127 304 L HA 0.031 4.379 4.340 0.012 0.000 0.203 304 L C 2.556 179.438 176.870 0.020 0.000 1.080 304 L CA 1.564 56.433 54.840 0.050 0.000 0.768 304 L CB -0.435 41.674 42.059 0.083 0.000 0.924 304 L HN 0.218 8.448 8.230 -0.000 0.000 0.444 305 A N -0.899 121.944 122.820 0.039 0.000 2.067 305 A HA -0.182 4.145 4.320 0.012 0.000 0.219 305 A C 1.951 179.467 177.584 -0.114 0.000 1.158 305 A CA 1.847 53.892 52.037 0.013 0.000 0.661 305 A CB -0.739 18.339 19.000 0.131 0.000 0.801 305 A HN 0.566 8.716 8.150 -0.000 0.000 0.452 306 N N -0.741 117.813 118.700 -0.243 0.000 2.395 306 N HA 0.130 4.877 4.740 0.012 0.000 0.175 306 N C 1.398 176.851 175.510 -0.095 0.000 1.029 306 N CA 0.596 53.494 53.050 -0.255 0.000 0.897 306 N CB -0.138 38.085 38.487 -0.440 0.000 0.991 306 N HN 0.487 8.867 8.380 -0.000 0.000 0.441 307 I N 0.171 120.705 120.570 -0.060 0.000 2.353 307 I HA -0.155 4.022 4.170 0.012 0.000 0.248 307 I C 1.297 177.449 176.117 0.059 0.000 1.119 307 I CA 0.514 61.813 61.300 -0.002 0.000 1.417 307 I CB 0.008 37.999 38.000 -0.015 0.000 1.078 307 I HN 0.142 8.352 8.210 -0.000 0.000 0.421 308 I N -0.046 120.545 120.570 0.035 0.000 2.252 308 I HA -0.223 3.955 4.170 0.012 0.000 0.245 308 I C 2.411 178.580 176.117 0.087 0.000 1.102 308 I CA 1.495 62.840 61.300 0.075 0.000 1.385 308 I CB -1.068 36.958 38.000 0.043 0.000 1.064 308 I HN 0.191 8.401 8.210 -0.000 0.000 0.414 309 L N 1.036 122.268 121.223 0.015 0.000 1.988 309 L HA -0.054 4.294 4.340 0.012 0.000 0.207 309 L C 2.648 179.557 176.870 0.064 0.000 1.071 309 L CA 2.115 56.932 54.840 -0.038 0.000 0.744 309 L CB -1.079 40.925 42.059 -0.091 0.000 0.893 309 L HN 0.204 8.434 8.230 -0.000 0.000 0.433 310 A N -0.704 122.199 122.820 0.138 0.000 1.869 310 A HA -0.355 3.972 4.320 0.012 0.000 0.218 310 A C 2.335 180.004 177.584 0.141 0.000 1.203 310 A CA 2.326 54.448 52.037 0.142 0.000 0.638 310 A CB -1.462 17.518 19.000 -0.033 0.000 0.831 310 A HN 0.526 8.676 8.150 -0.000 0.000 0.450 311 F N 0.080 120.045 119.950 0.026 0.000 2.154 311 F HA -0.186 4.348 4.527 0.012 0.000 0.301 311 F C 1.754 177.642 175.800 0.146 0.000 1.087 311 F CA 1.800 59.841 58.000 0.068 0.000 1.274 311 F CB -0.274 38.746 39.000 0.034 0.000 1.009 311 F HN 0.196 8.496 8.300 -0.000 0.000 0.485 312 L N -0.833 120.410 121.223 0.033 0.000 2.191 312 L HA -0.159 4.188 4.340 0.012 0.000 0.212 312 L C 1.683 178.632 176.870 0.131 0.000 1.103 312 L CA 1.708 56.516 54.840 -0.055 0.000 0.769 312 L CB -1.026 40.989 42.059 -0.073 0.000 0.908 312 L HN 0.159 8.389 8.230 -0.000 0.000 0.438 313 F N -2.488 117.567 119.950 0.175 0.000 2.419 313 F HA 0.121 4.656 4.527 0.012 0.000 0.283 313 F C 1.997 177.903 175.800 0.176 0.000 1.044 313 F CA 0.455 58.608 58.000 0.255 0.000 1.376 313 F CB -0.667 38.617 39.000 0.473 0.000 1.131 313 F HN -0.046 8.254 8.300 -0.000 0.000 0.585 314 F N -0.237 119.752 119.950 0.064 0.000 2.317 314 F HA 0.256 4.791 4.527 0.012 0.000 0.290 314 F C 2.572 178.316 175.800 -0.092 0.000 1.075 314 F CA 0.816 58.780 58.000 -0.061 0.000 1.380 314 F CB -1.506 37.411 39.000 -0.138 0.000 1.093 314 F HN -0.088 8.212 8.300 -0.000 0.000 0.524 315 G N -1.163 107.662 108.800 0.043 0.000 2.882 315 G HA2 0.014 3.981 3.960 0.012 0.000 0.206 315 G HA3 0.014 3.981 3.960 0.012 0.000 0.206 315 G C -0.100 174.667 174.900 -0.222 0.000 1.155 315 G CA 0.364 45.388 45.100 -0.127 0.000 0.800 315 G HN 0.213 8.503 8.290 -0.000 0.000 0.524 316 F N 0.000 119.779 119.950 -0.285 0.000 2.286 316 F HA 0.000 4.534 4.527 0.012 0.000 0.279 316 F CA 0.000 57.883 58.000 -0.195 0.000 1.383 316 F CB 0.000 38.867 39.000 -0.222 0.000 1.145 316 F HN 0.000 8.300 8.300 -0.000 0.000 0.574