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 2xu4_1_A DATA FIRST_RESID 1 DATA SEQUENCE APRSVDWREK GYVTPVKNQG QcGSCWAFSA TGALEGQMFR KTGRLISLSE DATA SEQUENCE QNLVDcSGPQ GNEGcNGGLM DYAFQYVQDN GGLDSEESYP YEATEEScKY DATA SEQUENCE NPKYSVANDT GFVDIPKQEK ALMKAVATVG PISVAIDAGH ESFLFYKEGI DATA SEQUENCE YFEPDcSSED MDHGVLVVGY GFESTXXXNN KYWLVKNSWG EEWGMGGYVK DATA SEQUENCE MAKDRRNHcG IASAASYPTV 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 1 A HA 0.000 4.376 4.320 0.094 0.000 0.244 1 A C 0.000 177.645 177.584 0.101 0.000 1.274 1 A CA 0.000 52.094 52.037 0.094 0.000 0.836 1 A CB 0.000 19.077 19.000 0.129 0.000 0.831 2 P HA 0.207 4.652 4.420 0.042 0.000 0.271 2 P C -0.935 176.463 177.300 0.164 0.000 1.233 2 P CA -0.592 62.552 63.100 0.073 0.000 0.789 2 P CB 0.652 32.336 31.700 -0.027 0.000 0.951 3 R N -3.015 117.550 120.500 0.109 0.000 2.240 3 R HA -0.037 4.418 4.340 0.192 0.000 0.203 3 R C -0.810 175.620 176.300 0.216 0.000 1.011 3 R CA 0.323 56.530 56.100 0.179 0.000 1.007 3 R CB 0.282 30.659 30.300 0.128 0.000 0.911 3 R HN 0.243 8.551 8.270 0.063 0.000 0.468 4 S N -5.847 109.817 115.700 -0.061 0.000 2.541 4 S HA 0.373 4.650 4.470 -0.562 -0.143 0.271 4 S C -1.477 172.744 174.600 -0.631 0.000 1.133 4 S CA -1.061 56.900 58.200 -0.398 0.000 0.876 4 S CB 2.858 65.891 63.200 -0.278 0.000 1.105 4 S HN -0.712 7.552 8.310 -0.078 0.000 0.470 5 V N -0.247 119.110 119.914 -0.927 0.000 2.808 5 V HA 0.307 4.000 4.120 -0.713 0.000 0.308 5 V C -2.489 173.228 176.094 -0.627 0.000 1.099 5 V CA -0.252 61.548 62.300 -0.834 0.000 0.920 5 V CB 4.154 35.405 31.823 -0.953 0.000 1.014 5 V HN 0.032 7.598 8.190 -1.040 0.000 0.425 6 D N 4.054 124.099 120.400 -0.592 0.000 2.328 6 D HA 0.306 4.789 4.640 -0.261 0.000 0.243 6 D C 0.486 176.580 176.300 -0.343 0.000 1.324 6 D CA -0.605 53.181 54.000 -0.356 0.000 0.966 6 D CB 0.836 41.499 40.800 -0.230 0.000 1.324 6 D HN -0.005 7.961 8.370 -0.675 0.000 0.549 7 W N 4.649 125.868 121.300 -0.135 0.000 2.421 7 W HA -0.349 4.148 4.660 -0.272 0.000 0.270 7 W C 1.180 177.665 176.519 -0.057 0.000 1.233 7 W CA 2.696 59.925 57.345 -0.194 0.000 1.226 7 W CB -0.108 29.178 29.460 -0.289 0.000 1.121 7 W HN 0.576 8.674 8.180 -0.138 0.000 0.579 8 R N -2.512 118.070 120.500 0.136 0.000 2.105 8 R HA -0.423 3.990 4.340 0.123 0.000 0.239 8 R C 2.557 178.886 176.300 0.049 0.000 1.135 8 R CA 3.836 59.987 56.100 0.085 0.000 0.967 8 R CB -0.611 29.690 30.300 0.001 0.000 0.861 8 R HN -0.439 8.048 8.270 0.097 -0.158 0.442 9 E N -1.104 119.099 120.200 0.005 0.000 2.338 9 E HA -0.188 4.159 4.350 -0.004 0.000 0.197 9 E C 0.965 177.601 176.600 0.060 0.000 1.007 9 E CA 2.007 58.405 56.400 -0.003 0.000 0.849 9 E CB -0.382 29.281 29.700 -0.062 0.000 0.774 9 E HN -0.523 7.806 8.360 -0.032 0.012 0.506 10 K N -3.307 117.183 120.400 0.150 0.000 2.358 10 K HA 0.221 4.691 4.320 0.250 0.000 0.197 10 K C 0.353 177.164 176.600 0.351 0.000 1.025 10 K CA -1.859 54.617 56.287 0.314 0.000 1.104 10 K CB 0.238 33.030 32.500 0.487 0.000 0.855 10 K HN -0.701 7.489 8.250 0.161 0.157 0.531 11 G N -2.795 106.074 108.800 0.115 0.000 2.132 11 G HA2 -0.286 3.505 3.960 -0.283 0.000 0.234 11 G HA3 -0.286 3.576 3.960 -0.163 0.000 0.234 11 G C 0.286 174.736 174.900 -0.750 0.000 0.989 11 G CA 0.420 45.376 45.100 -0.239 0.000 0.676 11 G HN -0.467 7.785 8.290 0.111 0.105 0.522 12 Y N -2.556 117.475 120.300 -0.449 0.000 2.511 12 Y HA -0.093 4.019 4.550 -0.730 0.000 0.279 12 Y C -1.410 174.372 175.900 -0.197 0.000 1.157 12 Y CA 0.990 58.860 58.100 -0.383 0.000 1.300 12 Y CB 0.893 39.347 38.460 -0.011 0.000 1.052 12 Y HN -0.659 7.778 8.280 0.263 0.000 0.529 13 V N -3.870 116.053 119.914 0.014 0.000 2.531 13 V HA 0.169 4.341 4.120 0.088 0.000 0.301 13 V C -0.040 176.081 176.094 0.045 0.000 1.034 13 V CA -1.483 60.866 62.300 0.082 0.000 0.865 13 V CB 1.263 33.192 31.823 0.177 0.000 0.995 13 V HN -0.660 7.464 8.190 -0.025 0.051 0.424 14 T N 4.846 119.428 114.554 0.047 0.000 2.813 14 T HA 0.337 4.703 4.350 0.027 0.000 0.297 14 T C -1.352 173.396 174.700 0.080 0.000 1.036 14 T CA -2.402 59.725 62.100 0.045 0.000 1.044 14 T CB -0.657 68.234 68.868 0.038 0.000 0.993 14 T HN 0.248 8.518 8.240 0.050 0.000 0.535 15 P HA -0.077 4.418 4.420 0.124 0.000 0.270 15 P C -0.799 176.546 177.300 0.075 0.000 1.227 15 P CA -0.139 63.017 63.100 0.093 0.000 0.788 15 P CB 0.454 32.197 31.700 0.072 0.000 0.926 16 V N -0.409 119.549 119.914 0.074 0.000 2.599 16 V HA -0.169 3.923 4.120 -0.046 0.000 0.300 16 V C 0.507 176.600 176.094 -0.002 0.000 1.034 16 V CA 1.410 63.710 62.300 -0.001 0.000 1.115 16 V CB -0.817 31.003 31.823 -0.006 0.000 0.934 16 V HN 0.328 8.585 8.190 0.113 0.000 0.485 17 K N 6.521 126.892 120.400 -0.049 0.000 2.245 17 K HA 0.266 4.580 4.320 -0.010 0.000 0.234 17 K C -1.955 174.507 176.600 -0.230 0.000 1.021 17 K CA -1.649 54.599 56.287 -0.065 0.000 0.898 17 K CB 2.626 35.170 32.500 0.073 0.000 1.163 17 K HN 0.283 8.483 8.250 -0.082 0.000 0.459 18 N N -0.560 117.976 118.700 -0.273 0.000 2.519 18 N HA 0.263 4.997 4.740 -0.283 -0.164 0.286 18 N C 0.087 175.371 175.510 -0.377 0.000 1.079 18 N CA -0.779 52.111 53.050 -0.268 0.000 0.878 18 N CB 1.184 39.635 38.487 -0.060 0.000 1.375 18 N HN 0.020 8.288 8.380 -0.186 0.000 0.514 19 Q N 4.919 124.358 119.800 -0.602 0.000 2.369 19 Q HA -0.184 3.872 4.340 -0.473 0.000 0.206 19 Q C 0.654 176.736 176.000 0.138 0.000 0.963 19 Q CA 1.171 56.753 55.803 -0.367 0.000 0.894 19 Q CB 0.421 28.945 28.738 -0.357 0.000 0.965 19 Q HN 0.338 8.251 8.270 -0.595 0.000 0.475 20 G N 0.490 109.307 108.800 0.028 0.000 2.564 20 G HA2 -0.379 3.635 3.960 0.090 0.000 0.273 20 G HA3 -0.379 3.570 3.960 -0.019 0.000 0.273 20 G C -0.359 174.541 174.900 -0.000 0.000 1.242 20 G CA 0.037 45.156 45.100 0.033 0.000 0.951 20 G HN -0.322 8.215 8.290 -0.045 -0.274 0.564 21 Q N 1.772 121.573 119.800 0.002 0.000 3.135 21 Q HA 0.154 4.468 4.340 -0.043 0.000 0.344 21 Q C -1.344 174.668 176.000 0.021 0.000 1.321 21 Q CA -0.795 54.997 55.803 -0.018 0.000 1.050 21 Q CB -1.952 26.766 28.738 -0.032 0.000 1.498 21 Q HN 0.233 8.508 8.270 0.009 0.000 0.503 22 c N -1.010 117.632 118.600 0.069 0.000 2.701 22 c HA 0.222 4.842 4.570 0.083 0.000 0.336 22 c C 0.086 174.262 174.090 0.144 0.000 1.123 22 c CA -0.683 55.713 56.329 0.112 0.000 1.326 22 c CB 2.771 45.373 42.510 0.153 0.000 1.833 22 c HN -0.484 7.724 8.230 0.078 0.070 0.473 23 G N 5.153 114.044 108.800 0.152 0.000 3.316 23 G HA2 0.018 4.171 3.960 0.191 0.000 0.255 23 G HA3 0.018 4.084 3.960 0.176 0.000 0.255 23 G C -1.272 173.794 174.900 0.277 0.000 0.880 23 G CA 0.329 45.546 45.100 0.196 0.000 1.956 23 G HN 0.218 8.517 8.290 0.140 0.075 0.634 24 S N -0.605 115.188 115.700 0.154 0.000 2.602 24 S HA 0.303 4.536 4.470 -0.396 0.000 0.240 24 S C 1.398 175.830 174.600 -0.280 0.000 0.992 24 S CA -0.998 57.099 58.200 -0.172 0.000 0.971 24 S CB -0.596 62.595 63.200 -0.015 0.000 0.855 24 S HN -0.307 8.056 8.310 0.169 0.048 0.481 25 C N -1.020 118.279 119.300 -0.001 0.000 2.391 25 C HA -0.110 4.355 4.460 0.008 0.000 0.276 25 C C 1.795 176.703 174.990 -0.137 0.000 1.217 25 C CA 2.011 61.023 59.018 -0.011 0.000 1.766 25 C CB -1.383 26.399 27.740 0.069 0.000 2.046 25 C HN 0.250 8.504 8.230 0.133 0.056 0.475 26 W N 0.642 121.908 121.300 -0.055 0.000 2.342 26 W HA -0.280 4.270 4.660 -0.184 0.000 0.297 26 W C 1.347 177.771 176.519 -0.158 0.000 1.213 26 W CA 0.960 58.220 57.345 -0.142 0.000 1.251 26 W CB -1.777 27.592 29.460 -0.152 0.000 1.136 26 W HN -0.390 7.870 8.180 0.134 0.000 0.526 27 A N 0.887 123.023 122.820 -1.141 0.000 1.929 27 A HA -0.277 3.563 4.320 -0.801 0.000 0.216 27 A C 1.754 178.935 177.584 -0.670 0.000 1.176 27 A CA 2.636 54.025 52.037 -1.079 0.000 0.628 27 A CB -0.743 17.343 19.000 -1.524 0.000 0.816 27 A HN -0.373 6.619 8.150 -1.729 0.121 0.444 28 F N -1.607 118.055 119.950 -0.479 0.000 2.163 28 F HA -0.123 4.217 4.527 -0.312 0.000 0.297 28 F C 2.560 178.222 175.800 -0.231 0.000 1.094 28 F CA 3.807 61.606 58.000 -0.335 0.000 1.290 28 F CB -0.254 38.542 39.000 -0.340 0.000 1.017 28 F HN -0.623 7.512 8.300 -0.274 0.000 0.483 29 S N 0.403 116.060 115.700 -0.071 0.000 2.370 29 S HA -0.423 4.019 4.470 -0.047 0.000 0.226 29 S C 1.678 176.278 174.600 -0.001 0.000 1.033 29 S CA 3.560 61.724 58.200 -0.061 0.000 1.011 29 S CB -0.571 62.568 63.200 -0.102 0.000 0.852 29 S HN -0.056 8.197 8.310 -0.096 0.000 0.457 30 A N 0.271 123.050 122.820 -0.068 0.000 1.897 30 A HA -0.128 4.278 4.320 0.143 0.000 0.215 30 A C 1.737 179.405 177.584 0.140 0.000 1.181 30 A CA 3.058 55.098 52.037 0.004 0.000 0.620 30 A CB -0.430 18.421 19.000 -0.248 0.000 0.821 30 A HN -0.307 7.760 8.150 -0.139 0.000 0.443 31 T N -2.818 111.715 114.554 -0.034 0.000 2.788 31 T HA -0.270 4.098 4.350 0.030 0.000 0.268 31 T C 2.127 176.846 174.700 0.033 0.000 1.044 31 T CA 4.200 66.284 62.100 -0.026 0.000 1.139 31 T CB -0.521 68.246 68.868 -0.167 0.000 0.867 31 T HN 0.024 8.176 8.240 -0.147 0.000 0.454 32 G N 1.671 110.492 108.800 0.035 0.000 2.446 32 G HA2 -0.391 3.604 3.960 0.058 0.000 0.217 32 G HA3 -0.391 3.779 3.960 0.054 -0.178 0.217 32 G C 0.272 175.229 174.900 0.095 0.000 1.168 32 G CA 1.871 47.008 45.100 0.062 0.000 0.771 32 G HN -0.107 8.190 8.290 0.011 0.000 0.551 33 A N 2.302 125.208 122.820 0.145 0.000 1.898 33 A HA -0.223 4.158 4.320 0.101 0.000 0.216 33 A C 1.628 179.266 177.584 0.090 0.000 1.181 33 A CA 2.608 54.730 52.037 0.141 0.000 0.620 33 A CB -0.437 18.712 19.000 0.248 0.000 0.819 33 A HN -0.456 7.799 8.150 0.175 0.000 0.442 34 L N -1.445 119.859 121.223 0.134 0.000 2.109 34 L HA -0.324 4.035 4.340 0.031 0.000 0.207 34 L C 1.722 178.631 176.870 0.065 0.000 1.086 34 L CA 2.717 57.609 54.840 0.086 0.000 0.760 34 L CB -0.475 41.675 42.059 0.150 0.000 0.910 34 L HN -0.176 8.178 8.230 0.206 0.000 0.437 35 E N -0.143 120.098 120.200 0.068 0.000 2.058 35 E HA -0.439 3.945 4.350 0.057 0.000 0.194 35 E C 2.753 179.390 176.600 0.063 0.000 0.997 35 E CA 3.610 60.044 56.400 0.058 0.000 0.801 35 E CB -0.465 29.262 29.700 0.045 0.000 0.746 35 E HN 0.341 8.745 8.360 0.074 0.000 0.450 36 G N -1.636 107.209 108.800 0.074 0.000 2.421 36 G HA2 -0.333 3.706 3.960 0.133 0.000 0.216 36 G HA3 -0.333 3.837 3.960 0.141 -0.126 0.216 36 G C 1.554 176.491 174.900 0.061 0.000 1.171 36 G CA 2.006 47.175 45.100 0.116 0.000 0.775 36 G HN -0.368 7.968 8.290 0.076 0.000 0.543 37 Q N 1.160 120.972 119.800 0.021 0.000 2.172 37 Q HA -0.100 4.227 4.340 -0.023 0.000 0.200 37 Q C 2.710 178.696 176.000 -0.022 0.000 0.964 37 Q CA 2.227 58.022 55.803 -0.013 0.000 0.855 37 Q CB -0.514 28.212 28.738 -0.020 0.000 0.918 37 Q HN -0.487 7.796 8.270 0.022 0.000 0.444 38 M N -0.268 119.334 119.600 0.003 0.000 2.117 38 M HA -0.299 4.172 4.480 -0.015 0.000 0.262 38 M C 1.973 178.256 176.300 -0.029 0.000 1.065 38 M CA 1.716 57.016 55.300 -0.001 0.000 1.114 38 M CB -0.890 31.730 32.600 0.032 0.000 1.361 38 M HN 0.108 8.410 8.290 0.021 0.000 0.408 39 F N 1.073 120.910 119.950 -0.188 0.000 2.102 39 F HA -0.319 4.205 4.527 -0.220 -0.129 0.298 39 F C 1.958 177.531 175.800 -0.379 0.000 1.105 39 F CA 3.679 61.495 58.000 -0.307 0.000 1.239 39 F CB 0.064 38.789 39.000 -0.459 0.000 0.991 39 F HN -0.222 8.138 8.300 0.099 0.000 0.474 40 R N 0.251 120.529 120.500 -0.371 0.000 2.096 40 R HA -0.383 3.728 4.340 -0.381 0.000 0.235 40 R C 1.738 177.903 176.300 -0.225 0.000 1.127 40 R CA 2.797 58.720 56.100 -0.294 0.000 0.968 40 R CB -0.189 30.077 30.300 -0.057 0.000 0.861 40 R HN -0.210 7.922 8.270 -0.230 0.000 0.440 41 K N -2.271 118.026 120.400 -0.171 0.000 2.076 41 K HA -0.087 4.174 4.320 -0.099 0.000 0.204 41 K C 1.502 178.011 176.600 -0.151 0.000 1.051 41 K CA 2.324 58.538 56.287 -0.122 0.000 0.949 41 K CB 0.758 33.214 32.500 -0.072 0.000 0.726 41 K HN -0.407 7.755 8.250 -0.146 0.000 0.443 42 T N -9.052 105.386 114.554 -0.194 0.000 2.971 42 T HA 0.286 4.559 4.350 -0.128 0.000 0.252 42 T C 1.498 176.052 174.700 -0.244 0.000 1.022 42 T CA -0.141 61.860 62.100 -0.165 0.000 0.980 42 T CB 1.680 70.492 68.868 -0.093 0.000 1.044 42 T HN -0.216 7.891 8.240 -0.221 0.000 0.501 43 G N 3.874 112.382 108.800 -0.488 0.000 2.162 43 G HA2 -0.457 3.244 3.960 -0.431 0.000 0.260 43 G HA3 -0.457 2.825 3.960 -1.215 -0.052 0.260 43 G C -1.028 173.679 174.900 -0.322 0.000 0.976 43 G CA 0.318 45.021 45.100 -0.661 0.000 0.655 43 G HN 0.169 7.994 8.290 -0.611 0.099 0.533 44 R N 0.023 120.466 120.500 -0.094 0.000 2.393 44 R HA 0.193 4.634 4.340 0.168 0.000 0.315 44 R C -1.608 174.857 176.300 0.276 0.000 0.952 44 R CA -1.228 54.947 56.100 0.124 0.000 0.842 44 R CB 1.828 32.159 30.300 0.052 0.000 1.163 44 R HN -0.404 7.738 8.270 -0.135 0.047 0.450 45 L N 5.605 127.014 121.223 0.310 0.000 2.261 45 L HA 0.128 4.570 4.340 0.170 0.000 0.289 45 L C -0.740 176.178 176.870 0.080 0.000 1.059 45 L CA -0.379 54.550 54.840 0.149 0.000 0.816 45 L CB 0.633 42.667 42.059 -0.043 0.000 1.191 45 L HN 0.263 8.669 8.230 0.292 0.000 0.431 46 I N 6.602 127.214 120.570 0.070 0.000 2.447 46 I HA 0.101 4.301 4.170 0.049 0.000 0.287 46 I C -1.487 174.656 176.117 0.043 0.000 1.023 46 I CA -1.358 59.974 61.300 0.054 0.000 1.083 46 I CB 2.160 40.196 38.000 0.059 0.000 1.245 46 I HN -0.111 8.144 8.210 0.076 0.000 0.434 47 S N 6.526 122.247 115.700 0.035 0.000 2.537 47 S HA -0.039 4.612 4.470 0.020 -0.169 0.286 47 S C 0.050 174.663 174.600 0.021 0.000 1.299 47 S CA 0.413 58.628 58.200 0.024 0.000 1.067 47 S CB 0.326 63.541 63.200 0.026 0.000 0.864 47 S HN 0.270 8.600 8.310 0.035 0.000 0.494 48 L N 5.971 127.193 121.223 -0.002 0.000 2.334 48 L HA 0.257 4.611 4.340 0.023 0.000 0.270 48 L C -0.556 176.268 176.870 -0.077 0.000 1.018 48 L CA -1.449 53.385 54.840 -0.009 0.000 0.811 48 L CB 2.868 44.928 42.059 0.003 0.000 1.271 48 L HN 0.160 8.706 8.230 -0.014 -0.324 0.443 49 S N 0.135 115.793 115.700 -0.071 0.000 2.411 49 S HA 0.157 4.707 4.470 -0.134 -0.161 0.304 49 S C 0.919 175.340 174.600 -0.298 0.000 1.098 49 S CA -1.016 57.092 58.200 -0.154 0.000 1.068 49 S CB -0.211 62.910 63.200 -0.132 0.000 1.032 49 S HN -0.140 8.157 8.310 -0.021 0.000 0.511 50 E N 9.058 128.994 120.200 -0.441 0.000 2.110 50 E HA -0.380 3.588 4.350 -0.636 0.000 0.193 50 E C 1.556 177.912 176.600 -0.406 0.000 0.988 50 E CA 3.753 59.773 56.400 -0.632 0.000 0.804 50 E CB -0.310 28.622 29.700 -1.278 0.000 0.745 50 E HN 0.425 8.512 8.360 -0.455 0.000 0.458 51 Q N -1.002 118.656 119.800 -0.238 0.000 2.124 51 Q HA -0.335 3.958 4.340 -0.079 0.000 0.202 51 Q C 1.523 177.200 176.000 -0.539 0.000 0.977 51 Q CA 3.210 58.878 55.803 -0.226 0.000 0.850 51 Q CB -0.461 28.218 28.738 -0.099 0.000 0.901 51 Q HN 0.201 8.372 8.270 -0.165 0.000 0.429 52 N N -0.670 117.474 118.700 -0.927 0.000 2.104 52 N HA -0.314 3.867 4.740 -0.931 0.000 0.190 52 N C 2.007 177.293 175.510 -0.374 0.000 1.024 52 N CA 2.906 55.495 53.050 -0.767 0.000 0.853 52 N CB 0.012 38.221 38.487 -0.464 0.000 1.008 52 N HN -0.430 7.402 8.380 -0.913 0.000 0.424 53 L N -1.534 119.486 121.223 -0.338 0.000 2.056 53 L HA -0.389 3.698 4.340 -0.422 0.000 0.207 53 L C 1.783 178.601 176.870 -0.088 0.000 1.078 53 L CA 3.006 57.680 54.840 -0.277 0.000 0.749 53 L CB -0.118 41.803 42.059 -0.230 0.000 0.901 53 L HN -0.749 7.193 8.230 -0.348 0.078 0.433 54 V N -0.262 119.586 119.914 -0.111 0.000 2.287 54 V HA -0.496 3.819 4.120 0.325 0.000 0.248 54 V C 2.474 178.609 176.094 0.068 0.000 1.053 54 V CA 4.127 66.475 62.300 0.081 0.000 1.027 54 V CB -0.754 31.077 31.823 0.013 0.000 0.646 54 V HN -0.000 8.052 8.190 -0.230 0.000 0.447 55 D N -2.047 118.349 120.400 -0.007 0.000 2.234 55 D HA -0.028 4.647 4.640 0.059 0.000 0.205 55 D C 0.638 176.943 176.300 0.008 0.000 0.962 55 D CA 2.646 56.672 54.000 0.043 0.000 0.855 55 D CB -0.065 40.820 40.800 0.142 0.000 0.951 55 D HN 0.029 8.360 8.370 -0.064 0.000 0.500 56 c N -4.737 113.796 118.600 -0.112 0.000 3.403 56 c HA 0.275 4.835 4.570 -0.017 0.000 0.317 56 c C 0.518 174.414 174.090 -0.322 0.000 1.346 56 c CA -0.961 55.272 56.329 -0.159 0.000 1.743 56 c CB 1.263 43.693 42.510 -0.133 0.000 2.308 56 c HN -0.657 7.458 8.230 -0.191 0.000 0.675 57 S N 0.288 115.746 115.700 -0.403 0.000 2.622 57 S HA 0.196 4.681 4.470 -0.258 -0.170 0.236 57 S C 1.532 176.043 174.600 -0.149 0.000 0.956 57 S CA -0.132 57.877 58.200 -0.319 0.000 0.971 57 S CB 0.159 63.158 63.200 -0.334 0.000 0.782 57 S HN -0.539 7.587 8.310 -0.306 0.000 0.468 58 G N 2.930 111.665 108.800 -0.107 0.000 2.446 58 G HA2 -0.196 3.723 3.960 -0.070 0.000 0.217 58 G HA3 -0.196 3.920 3.960 -0.124 -0.230 0.217 58 G C -0.825 174.009 174.900 -0.110 0.000 1.168 58 G CA 2.378 47.418 45.100 -0.100 0.000 0.771 58 G HN 0.645 8.821 8.290 -0.090 0.060 0.551 59 P HA -0.115 4.263 4.420 -0.071 0.000 0.218 59 P C 0.349 177.568 177.300 -0.134 0.000 1.148 59 P CA 1.737 64.796 63.100 -0.067 0.000 0.822 59 P CB -0.084 31.612 31.700 -0.007 0.000 0.784 60 Q N -5.901 113.807 119.800 -0.153 0.000 2.435 60 Q HA -0.061 4.121 4.340 -0.263 0.000 0.207 60 Q C 0.778 176.350 176.000 -0.714 0.000 0.956 60 Q CA 0.486 56.115 55.803 -0.290 0.000 0.917 60 Q CB 0.343 29.009 28.738 -0.121 0.000 0.997 60 Q HN -0.530 7.663 8.270 -0.099 0.018 0.497 61 G N -2.643 105.840 108.800 -0.528 0.000 2.205 61 G HA2 -0.277 3.069 3.960 -1.024 0.000 0.180 61 G HA3 -0.277 3.453 3.960 -0.384 0.000 0.180 61 G C -0.177 174.577 174.900 -0.242 0.000 1.004 61 G CA -0.511 44.252 45.100 -0.562 0.000 0.670 61 G HN -0.163 7.758 8.290 -0.341 0.164 0.496 62 N N 0.829 119.372 118.700 -0.263 0.000 2.424 62 N HA 0.027 4.488 4.740 -0.466 0.000 0.257 62 N C -0.881 174.452 175.510 -0.295 0.000 1.250 62 N CA 0.163 52.957 53.050 -0.427 0.000 0.946 62 N CB 0.736 38.757 38.487 -0.777 0.000 1.175 62 N HN -0.611 7.605 8.380 -0.273 0.000 0.477 63 E N -0.254 119.755 120.200 -0.317 0.000 2.995 63 E HA 0.225 4.523 4.350 -0.087 0.000 0.203 63 E C -0.433 176.183 176.600 0.026 0.000 0.980 63 E CA -1.196 55.134 56.400 -0.116 0.000 1.172 63 E CB 0.857 30.494 29.700 -0.106 0.000 1.088 63 E HN 0.123 8.180 8.360 -0.504 0.000 0.463 64 G N -0.829 108.055 108.800 0.140 0.000 2.583 64 G HA2 -0.513 3.718 3.960 0.169 0.000 0.292 64 G HA3 -0.513 3.809 3.960 0.345 -0.155 0.292 64 G C 0.352 175.481 174.900 0.382 0.000 1.203 64 G CA 0.948 46.215 45.100 0.278 0.000 0.987 64 G HN -0.078 8.272 8.290 0.101 0.000 0.554 65 c N 3.399 122.134 118.600 0.225 0.000 2.546 65 c HA 0.046 4.767 4.570 0.251 0.000 0.275 65 c C 1.533 175.736 174.090 0.188 0.000 1.393 65 c CA 0.121 56.574 56.329 0.207 0.000 1.703 65 c CB -2.424 40.159 42.510 0.121 0.000 1.710 65 c HN 0.515 8.842 8.230 0.163 0.000 0.581 66 N N -0.424 118.378 118.700 0.169 0.000 2.299 66 N HA -0.003 4.795 4.740 0.097 0.000 0.187 66 N C -0.229 175.344 175.510 0.104 0.000 1.099 66 N CA 0.713 53.827 53.050 0.106 0.000 0.867 66 N CB 1.195 39.710 38.487 0.046 0.000 0.974 66 N HN 0.160 8.567 8.380 0.166 0.072 0.477 67 G N -2.643 106.260 108.800 0.172 0.000 2.347 67 G HA2 -0.132 3.823 3.960 -0.008 0.000 0.477 67 G HA3 -0.132 4.087 3.960 0.281 -0.091 0.477 67 G C -2.811 171.750 174.900 -0.565 0.000 1.349 67 G CA -0.173 44.952 45.100 0.041 0.000 1.000 67 G HN -0.839 7.628 8.290 0.296 0.000 0.605 68 G N -2.269 106.015 108.800 -0.860 0.000 2.320 68 G HA2 0.438 2.980 3.960 -2.451 0.000 0.296 68 G HA3 0.438 3.880 3.960 -0.863 0.000 0.296 68 G C -2.049 172.410 174.900 -0.734 0.000 1.306 68 G CA 0.196 44.512 45.100 -1.307 0.000 0.836 68 G HN -0.122 7.886 8.290 -0.470 0.000 0.517 69 L N -0.233 120.594 121.223 -0.660 0.000 2.365 69 L HA 0.494 4.599 4.340 -0.392 0.000 0.273 69 L C 0.884 177.504 176.870 -0.417 0.000 1.000 69 L CA -1.665 52.856 54.840 -0.531 0.000 0.819 69 L CB 2.349 43.852 42.059 -0.927 0.000 1.284 69 L HN 0.527 8.668 8.230 -0.713 -0.338 0.418 70 M N 2.838 122.216 119.600 -0.371 0.000 2.149 70 M HA -0.309 3.886 4.480 -0.474 0.000 0.261 70 M C 1.494 177.196 176.300 -0.996 0.000 1.064 70 M CA 4.056 59.004 55.300 -0.587 0.000 1.102 70 M CB -0.559 31.751 32.600 -0.484 0.000 1.369 70 M HN 0.508 8.610 8.290 -0.314 0.000 0.408 71 D N -1.846 118.093 120.400 -0.769 0.000 2.144 71 D HA -0.227 3.857 4.640 -0.927 0.000 0.199 71 D C 2.559 178.534 176.300 -0.541 0.000 0.984 71 D CA 3.573 57.026 54.000 -0.912 0.000 0.834 71 D CB -0.918 39.224 40.800 -1.097 0.000 0.955 71 D HN 0.404 8.384 8.370 -0.649 0.000 0.465 72 Y N -1.045 119.000 120.300 -0.426 0.000 2.242 72 Y HA -0.313 4.135 4.550 -0.170 0.000 0.291 72 Y C 2.046 177.854 175.900 -0.154 0.000 1.137 72 Y CA 0.820 58.772 58.100 -0.247 0.000 1.181 72 Y CB -1.251 37.047 38.460 -0.271 0.000 0.989 72 Y HN -0.904 7.083 8.280 -0.487 0.000 0.527 73 A N 0.175 122.954 122.820 -0.069 0.000 1.877 73 A HA -0.331 4.073 4.320 0.141 0.000 0.216 73 A C 2.016 179.664 177.584 0.108 0.000 1.186 73 A CA 3.193 55.238 52.037 0.013 0.000 0.620 73 A CB -1.034 17.930 19.000 -0.060 0.000 0.822 73 A HN -0.408 7.629 8.150 -0.188 0.000 0.443 74 F N -2.331 117.662 119.950 0.070 0.000 2.171 74 F HA -0.093 4.619 4.527 0.115 -0.116 0.300 74 F C 2.653 178.555 175.800 0.170 0.000 1.090 74 F CA 1.123 59.184 58.000 0.101 0.000 1.293 74 F CB -1.282 37.761 39.000 0.072 0.000 1.013 74 F HN -0.237 7.775 8.300 -0.481 0.000 0.486 75 Q N -0.130 119.872 119.800 0.337 0.000 2.084 75 Q HA -0.336 4.202 4.340 0.330 0.000 0.202 75 Q C 1.824 177.934 176.000 0.183 0.000 0.978 75 Q CA 2.484 58.463 55.803 0.293 0.000 0.844 75 Q CB -0.548 28.357 28.738 0.279 0.000 0.898 75 Q HN -0.035 8.377 8.270 0.237 0.000 0.426 76 Y N 0.152 120.494 120.300 0.070 0.000 2.128 76 Y HA -0.427 4.117 4.550 -0.009 0.000 0.284 76 Y C 1.682 177.585 175.900 0.005 0.000 1.154 76 Y CA 3.768 61.876 58.100 0.013 0.000 1.149 76 Y CB -0.202 38.258 38.460 0.000 0.000 0.976 76 Y HN -0.264 8.196 8.280 0.299 0.000 0.505 77 V N -0.543 119.369 119.914 -0.004 0.000 2.343 77 V HA -0.479 3.441 4.120 -0.333 0.000 0.247 77 V C 2.207 178.214 176.094 -0.146 0.000 1.051 77 V CA 3.702 65.931 62.300 -0.118 0.000 1.036 77 V CB -1.226 30.667 31.823 0.118 0.000 0.654 77 V HN -0.451 7.870 8.190 0.219 0.000 0.451 78 Q N -0.046 119.736 119.800 -0.029 0.000 2.020 78 Q HA -0.328 4.130 4.340 -0.024 -0.133 0.202 78 Q C 3.040 178.987 176.000 -0.088 0.000 0.982 78 Q CA 3.114 58.902 55.803 -0.025 0.000 0.838 78 Q CB -0.146 28.619 28.738 0.045 0.000 0.899 78 Q HN -0.567 7.733 8.270 0.051 0.000 0.423 79 D N 0.480 120.815 120.400 -0.108 0.000 2.123 79 D HA -0.251 4.341 4.640 -0.079 0.000 0.196 79 D C 1.809 177.985 176.300 -0.207 0.000 0.992 79 D CA 2.789 56.714 54.000 -0.125 0.000 0.833 79 D CB -0.374 40.366 40.800 -0.099 0.000 0.954 79 D HN -0.028 8.294 8.370 -0.079 0.000 0.455 80 N N -2.559 115.898 118.700 -0.405 0.000 2.446 80 N HA -0.073 4.429 4.740 -0.397 0.000 0.179 80 N C 0.771 176.090 175.510 -0.318 0.000 1.054 80 N CA 0.053 52.792 53.050 -0.518 0.000 0.905 80 N CB 0.701 38.496 38.487 -1.152 0.000 0.973 80 N HN -0.288 7.773 8.380 -0.500 0.019 0.448 81 G N -1.722 106.950 108.800 -0.214 0.000 2.160 81 G HA2 -0.301 3.628 3.960 -0.051 0.000 0.251 81 G HA3 -0.301 3.619 3.960 -0.067 0.000 0.251 81 G C -0.647 174.233 174.900 -0.033 0.000 1.008 81 G CA 0.571 45.618 45.100 -0.088 0.000 0.724 81 G HN -0.576 7.442 8.290 -0.215 0.143 0.514 82 G N -2.395 106.346 108.800 -0.098 0.000 2.321 82 G HA2 -0.014 4.068 3.960 0.203 0.000 0.298 82 G HA3 -0.014 4.198 3.960 0.073 -0.208 0.298 82 G C -3.232 171.685 174.900 0.028 0.000 1.385 82 G CA 0.327 45.461 45.100 0.057 0.000 0.856 82 G HN -0.638 7.494 8.290 -0.222 0.024 0.584 83 L N -0.743 120.621 121.223 0.234 0.000 2.526 83 L HA 0.478 5.032 4.340 0.357 0.000 0.263 83 L C -2.349 174.730 176.870 0.349 0.000 0.943 83 L CA -0.332 54.688 54.840 0.301 0.000 0.859 83 L CB 4.277 46.452 42.059 0.193 0.000 1.313 83 L HN -0.311 8.063 8.230 0.240 0.000 0.406 84 D N 5.627 126.282 120.400 0.425 0.000 2.357 84 D HA 0.254 5.271 4.640 0.304 -0.195 0.242 84 D C 0.219 176.643 176.300 0.206 0.000 1.153 84 D CA -0.148 54.051 54.000 0.332 0.000 0.918 84 D CB 1.451 42.516 40.800 0.443 0.000 1.181 84 D HN 0.133 9.154 8.370 0.514 -0.342 0.435 85 S N -0.689 115.116 115.700 0.175 0.000 2.585 85 S HA 0.008 4.625 4.470 0.091 -0.092 0.273 85 S C 1.153 175.811 174.600 0.098 0.000 1.339 85 S CA 0.252 58.518 58.200 0.110 0.000 1.028 85 S CB 1.314 64.564 63.200 0.084 0.000 0.906 85 S HN -0.322 8.102 8.310 0.191 0.000 0.528 86 E N 3.652 123.886 120.200 0.056 0.000 2.097 86 E HA -0.427 3.950 4.350 0.044 0.000 0.196 86 E C 1.450 178.093 176.600 0.072 0.000 1.000 86 E CA 3.643 60.073 56.400 0.051 0.000 0.804 86 E CB 0.028 29.745 29.700 0.029 0.000 0.740 86 E HN 0.231 8.501 8.360 0.044 0.116 0.454 87 E N -1.745 118.484 120.200 0.048 0.000 2.110 87 E HA -0.255 4.113 4.350 0.030 0.000 0.193 87 E C 1.794 178.395 176.600 0.002 0.000 0.988 87 E CA 2.398 58.812 56.400 0.023 0.000 0.804 87 E CB -0.049 29.653 29.700 0.003 0.000 0.745 87 E HN 0.181 8.566 8.360 0.043 0.000 0.458 88 S N -1.649 114.052 115.700 0.002 0.000 2.461 88 S HA -0.128 4.226 4.470 -0.194 0.000 0.228 88 S C 0.206 174.850 174.600 0.072 0.000 1.005 88 S CA 1.548 59.703 58.200 -0.073 0.000 0.942 88 S CB 0.767 63.908 63.200 -0.099 0.000 0.776 88 S HN -0.548 7.782 8.310 0.033 0.000 0.514 89 Y N 2.156 122.464 120.300 0.013 0.000 2.544 89 Y HA 0.412 4.987 4.550 0.041 0.000 0.347 89 Y C -2.944 172.987 175.900 0.051 0.000 1.089 89 Y CA -3.938 54.191 58.100 0.048 0.000 1.230 89 Y CB 1.236 39.753 38.460 0.094 0.000 1.101 89 Y HN -0.586 7.794 8.280 0.220 0.032 0.641 90 P HA 0.047 4.700 4.420 0.167 -0.133 0.274 90 P C -1.888 175.538 177.300 0.210 0.000 1.246 90 P CA -0.954 62.259 63.100 0.190 0.000 0.795 90 P CB 0.968 32.741 31.700 0.123 0.000 1.006 91 Y N 0.732 121.067 120.300 0.057 0.000 2.402 91 Y HA -0.212 4.346 4.550 0.013 0.000 0.333 91 Y C -0.069 175.870 175.900 0.065 0.000 1.076 91 Y CA -0.023 58.104 58.100 0.046 0.000 1.299 91 Y CB 0.671 39.176 38.460 0.074 0.000 1.197 91 Y HN -0.033 8.419 8.280 0.286 0.000 0.517 92 E N 7.190 127.074 120.200 -0.527 0.000 2.511 92 E HA 0.040 4.232 4.350 -0.262 0.000 0.209 92 E C -0.261 176.006 176.600 -0.554 0.000 0.986 92 E CA -0.421 55.742 56.400 -0.395 0.000 0.974 92 E CB 0.651 30.251 29.700 -0.166 0.000 1.030 92 E HN 0.645 9.062 8.360 -0.558 -0.391 0.490 93 A N -2.225 119.941 122.820 -1.091 0.000 2.822 93 A HA -0.414 3.586 4.320 -0.532 0.000 0.287 93 A C -1.706 175.753 177.584 -0.208 0.000 1.479 93 A CA 1.046 52.736 52.037 -0.579 0.000 0.779 93 A CB -2.063 16.768 19.000 -0.282 0.000 1.022 93 A HN -0.163 7.005 8.150 -1.831 -0.117 0.532 94 T N -2.502 111.947 114.554 -0.174 0.000 2.821 94 T HA 0.180 4.510 4.350 -0.034 0.000 0.306 94 T C -1.980 172.705 174.700 -0.025 0.000 1.313 94 T CA -0.686 61.376 62.100 -0.064 0.000 1.012 94 T CB 2.511 71.345 68.868 -0.056 0.000 1.298 94 T HN -0.674 7.409 8.240 -0.225 0.023 0.502 95 E N 2.872 123.078 120.200 0.010 0.000 2.301 95 E HA 0.075 4.448 4.350 0.039 0.000 0.275 95 E C -0.897 175.721 176.600 0.029 0.000 1.030 95 E CA -0.196 56.223 56.400 0.032 0.000 0.852 95 E CB 1.450 31.177 29.700 0.043 0.000 1.060 95 E HN 0.193 8.560 8.360 0.012 0.000 0.401 96 E N 3.684 123.912 120.200 0.048 0.000 2.454 96 E HA 0.303 4.675 4.350 0.037 0.000 0.279 96 E C -2.069 174.572 176.600 0.069 0.000 1.029 96 E CA -1.569 54.861 56.400 0.051 0.000 0.831 96 E CB 3.182 32.915 29.700 0.055 0.000 1.405 96 E HN -0.294 8.262 8.360 0.060 -0.160 0.463 97 S N -1.750 113.986 115.700 0.061 0.000 2.568 97 S HA -0.128 4.380 4.470 0.063 0.000 0.282 97 S C 0.350 175.018 174.600 0.113 0.000 1.338 97 S CA 0.252 58.493 58.200 0.069 0.000 1.045 97 S CB 0.225 63.454 63.200 0.047 0.000 0.873 97 S HN -0.074 8.265 8.310 0.048 0.000 0.516 98 c N 5.117 123.793 118.600 0.127 0.000 2.638 98 c HA -0.067 4.663 4.570 0.267 0.000 0.410 98 c C 0.876 175.077 174.090 0.184 0.000 1.404 98 c CA 0.255 56.704 56.329 0.200 0.000 1.651 98 c CB -0.830 41.789 42.510 0.180 0.000 2.495 98 c HN 0.554 8.846 8.230 0.104 0.000 0.606 99 K N 9.033 129.562 120.400 0.215 0.000 2.564 99 K HA 0.149 4.470 4.320 0.001 0.000 0.205 99 K C -0.977 175.636 176.600 0.022 0.000 1.053 99 K CA -1.274 54.995 56.287 -0.030 0.000 1.072 99 K CB 0.455 32.747 32.500 -0.347 0.000 0.822 99 K HN 0.170 8.661 8.250 0.401 0.000 0.497 100 Y N 2.572 123.017 120.300 0.241 0.000 2.810 100 Y HA -0.370 4.592 4.550 0.427 -0.156 0.332 100 Y C -0.240 175.733 175.900 0.121 0.000 1.243 100 Y CA 1.172 59.446 58.100 0.291 0.000 1.537 100 Y CB 0.358 39.004 38.460 0.310 0.000 1.265 100 Y HN -0.693 7.904 8.280 0.529 0.000 0.572 101 N N 7.896 126.193 118.700 -0.672 0.000 2.448 101 N HA 0.422 4.850 4.740 -0.519 0.000 0.279 101 N C -1.639 173.277 175.510 -0.990 0.000 1.025 101 N CA -3.401 49.247 53.050 -0.669 0.000 0.898 101 N CB 1.475 39.706 38.487 -0.426 0.000 1.303 101 N HN -0.134 8.204 8.380 -0.582 -0.307 0.495 102 P HA -0.068 4.099 4.420 -0.422 0.000 0.220 102 P C 1.256 178.375 177.300 -0.301 0.000 1.148 102 P CA 1.596 64.441 63.100 -0.426 0.000 0.803 102 P CB 0.577 32.218 31.700 -0.097 0.000 0.782 103 K N -1.714 118.418 120.400 -0.446 0.000 2.280 103 K HA -0.174 3.996 4.320 -0.250 0.000 0.202 103 K C 1.029 177.434 176.600 -0.325 0.000 1.047 103 K CA 1.594 57.616 56.287 -0.442 0.000 0.942 103 K CB -0.761 31.346 32.500 -0.654 0.000 0.739 103 K HN -0.216 7.972 8.250 -0.524 -0.253 0.457 104 Y N -5.210 115.034 120.300 -0.093 0.000 2.555 104 Y HA 0.147 4.690 4.550 -0.012 0.000 0.259 104 Y C -1.378 174.533 175.900 0.018 0.000 1.179 104 Y CA -2.893 55.188 58.100 -0.032 0.000 1.230 104 Y CB -1.162 37.281 38.460 -0.028 0.000 1.146 104 Y HN -0.593 7.382 8.280 -0.453 0.032 0.526 105 S N -0.362 115.406 115.700 0.113 0.000 2.549 105 S HA -0.065 4.723 4.470 0.243 -0.172 0.279 105 S C 0.885 175.571 174.600 0.143 0.000 1.321 105 S CA 1.175 59.483 58.200 0.180 0.000 1.054 105 S CB 0.397 63.724 63.200 0.211 0.000 0.899 105 S HN -0.792 7.324 8.310 0.023 0.208 0.497 106 V N 0.623 120.622 119.914 0.143 0.000 3.398 106 V HA 0.350 4.524 4.120 0.091 0.000 0.298 106 V C -1.283 174.864 176.094 0.088 0.000 1.496 106 V CA -1.088 61.274 62.300 0.104 0.000 1.044 106 V CB 0.500 32.380 31.823 0.096 0.000 0.880 106 V HN 0.286 8.573 8.190 0.163 0.000 0.443 107 A N -0.556 122.324 122.820 0.100 0.000 2.587 107 A HA 0.307 4.665 4.320 0.064 0.000 0.293 107 A C -2.828 174.801 177.584 0.076 0.000 1.087 107 A CA -0.475 51.610 52.037 0.080 0.000 0.692 107 A CB 3.264 22.316 19.000 0.086 0.000 1.291 107 A HN -0.753 7.471 8.150 0.122 0.000 0.407 108 N N -0.472 118.261 118.700 0.054 0.000 2.610 108 N HA 0.269 5.031 4.740 0.037 0.000 0.264 108 N C -2.247 173.285 175.510 0.036 0.000 1.348 108 N CA 0.367 53.440 53.050 0.039 0.000 0.819 108 N CB 4.567 43.069 38.487 0.026 0.000 1.521 108 N HN -0.124 8.284 8.380 0.048 0.000 0.497 109 D N -2.889 117.531 120.400 0.032 0.000 2.599 109 D HA 0.087 4.791 4.640 0.015 -0.055 0.252 109 D C -0.412 175.902 176.300 0.024 0.000 1.232 109 D CA -1.151 52.867 54.000 0.029 0.000 0.819 109 D CB 3.190 44.013 40.800 0.040 0.000 1.401 109 D HN -0.356 8.029 8.370 0.026 0.000 0.429 110 T N -5.772 108.787 114.554 0.009 0.000 3.174 110 T HA 0.383 4.730 4.350 -0.005 0.000 0.269 110 T C 0.345 175.033 174.700 -0.021 0.000 1.017 110 T CA -1.817 60.278 62.100 -0.008 0.000 0.899 110 T CB 0.038 68.894 68.868 -0.021 0.000 1.077 110 T HN 0.279 8.520 8.240 0.001 0.000 0.552 111 G N 1.714 110.527 108.800 0.021 0.000 2.280 111 G HA2 -0.197 3.676 3.960 -0.145 0.000 0.277 111 G HA3 -0.197 3.920 3.960 0.098 -0.098 0.277 111 G C -3.175 171.765 174.900 0.067 0.000 1.288 111 G CA -0.247 44.851 45.100 -0.004 0.000 1.075 111 G HN -0.625 7.845 8.290 0.064 -0.142 0.480 112 F N -4.653 115.242 119.950 -0.091 0.000 2.713 112 F HA 0.716 5.164 4.527 -0.329 -0.119 0.311 112 F C -1.902 173.741 175.800 -0.262 0.000 1.141 112 F CA -1.442 56.437 58.000 -0.202 0.000 0.939 112 F CB 2.666 41.662 39.000 -0.006 0.000 1.325 112 F HN -0.223 7.706 8.300 -0.619 0.000 0.453 113 V N 1.611 121.343 119.914 -0.303 0.000 2.487 113 V HA 0.259 4.221 4.120 -0.263 0.000 0.298 113 V C -1.414 174.591 176.094 -0.149 0.000 1.028 113 V CA -1.052 61.020 62.300 -0.379 0.000 0.860 113 V CB 2.567 33.938 31.823 -0.752 0.000 0.991 113 V HN 0.406 8.325 8.190 -0.452 0.000 0.427 114 D N 5.533 125.943 120.400 0.017 0.000 2.232 114 D HA 0.358 5.185 4.640 0.087 -0.135 0.242 114 D C -0.374 175.950 176.300 0.041 0.000 1.093 114 D CA -0.604 53.439 54.000 0.072 0.000 0.845 114 D CB 0.869 41.736 40.800 0.112 0.000 1.124 114 D HN 0.049 8.421 8.370 0.003 0.000 0.467 115 I N 4.550 125.159 120.570 0.065 0.000 2.472 115 I HA 0.148 4.373 4.170 0.093 0.000 0.290 115 I C -1.339 174.811 176.117 0.055 0.000 1.016 115 I CA -2.227 59.123 61.300 0.083 0.000 1.348 115 I CB 0.183 38.252 38.000 0.115 0.000 1.417 115 I HN -0.181 8.072 8.210 0.072 0.000 0.521 116 P HA -0.076 4.365 4.420 0.034 0.000 0.266 116 P C -1.059 176.263 177.300 0.037 0.000 1.193 116 P CA -0.322 62.803 63.100 0.041 0.000 0.770 116 P CB 0.486 32.212 31.700 0.044 0.000 0.836 117 K N 2.002 122.419 120.400 0.028 0.000 3.006 117 K HA 0.132 4.692 4.320 0.015 -0.231 0.265 117 K C -0.577 176.043 176.600 0.033 0.000 1.279 117 K CA -0.025 56.275 56.287 0.022 0.000 1.229 117 K CB -1.122 31.386 32.500 0.014 0.000 1.555 117 K HN 0.381 8.647 8.250 0.026 0.000 0.300 118 Q N -0.981 118.847 119.800 0.045 0.000 2.379 118 Q HA 0.202 4.583 4.340 0.067 0.000 0.278 118 Q C -0.584 175.472 176.000 0.093 0.000 1.068 118 Q CA -0.934 54.908 55.803 0.065 0.000 0.816 118 Q CB 3.066 31.839 28.738 0.060 0.000 1.387 118 Q HN -0.417 7.809 8.270 0.045 0.071 0.413 119 E N 2.808 123.092 120.200 0.140 0.000 2.204 119 E HA -0.414 4.096 4.350 0.268 0.000 0.194 119 E C 1.659 178.396 176.600 0.229 0.000 0.989 119 E CA 3.321 59.874 56.400 0.256 0.000 0.824 119 E CB -0.068 29.843 29.700 0.352 0.000 0.756 119 E HN 0.597 9.037 8.360 0.133 0.000 0.477 120 K N -1.016 119.458 120.400 0.123 0.000 2.057 120 K HA -0.285 4.067 4.320 0.053 0.000 0.207 120 K C 1.860 178.515 176.600 0.091 0.000 1.049 120 K CA 3.167 59.499 56.287 0.076 0.000 0.931 120 K CB -0.391 32.136 32.500 0.045 0.000 0.714 120 K HN 0.059 8.371 8.250 0.103 0.000 0.440 121 A N -1.357 121.518 122.820 0.092 0.000 1.898 121 A HA -0.117 4.255 4.320 0.087 0.000 0.216 121 A C 2.227 179.879 177.584 0.113 0.000 1.181 121 A CA 2.644 54.736 52.037 0.092 0.000 0.620 121 A CB -0.916 18.130 19.000 0.077 0.000 0.819 121 A HN -0.231 7.971 8.150 0.086 0.000 0.442 122 L N -0.921 120.372 121.223 0.116 0.000 2.046 122 L HA -0.316 4.065 4.340 0.069 0.000 0.208 122 L C 1.512 178.514 176.870 0.221 0.000 1.077 122 L CA 2.896 57.790 54.840 0.089 0.000 0.747 122 L CB -0.269 41.731 42.059 -0.099 0.000 0.896 122 L HN -0.431 7.867 8.230 0.113 0.000 0.432 123 M N -1.107 118.693 119.600 0.333 0.000 2.086 123 M HA -0.533 4.147 4.480 0.334 0.000 0.261 123 M C 1.782 178.189 176.300 0.178 0.000 1.067 123 M CA 4.392 59.816 55.300 0.207 0.000 1.116 123 M CB -0.209 32.302 32.600 -0.148 0.000 1.348 123 M HN -0.115 8.373 8.290 0.330 0.000 0.407 124 K N -2.356 118.125 120.400 0.135 0.000 2.288 124 K HA -0.285 4.122 4.320 0.144 0.000 0.201 124 K C 2.075 178.764 176.600 0.149 0.000 1.048 124 K CA 2.939 59.305 56.287 0.133 0.000 0.956 124 K CB -0.350 32.205 32.500 0.093 0.000 0.746 124 K HN -0.429 7.892 8.250 0.119 0.000 0.461 125 A N 0.645 123.553 122.820 0.148 0.000 1.872 125 A HA -0.065 4.295 4.320 0.067 0.000 0.214 125 A C 1.875 179.531 177.584 0.120 0.000 1.187 125 A CA 3.013 55.111 52.037 0.102 0.000 0.614 125 A CB -0.403 18.668 19.000 0.119 0.000 0.826 125 A HN -0.384 7.856 8.150 0.150 0.000 0.442 126 V N 0.327 120.390 119.914 0.247 0.000 2.332 126 V HA -0.317 4.162 4.120 0.314 -0.171 0.248 126 V C 2.662 179.077 176.094 0.536 0.000 1.055 126 V CA 4.040 66.582 62.300 0.402 0.000 1.038 126 V CB -1.215 30.954 31.823 0.576 0.000 0.651 126 V HN -0.079 8.270 8.190 0.264 0.000 0.450 127 A N -1.752 121.334 122.820 0.442 0.000 1.972 127 A HA -0.243 4.258 4.320 0.302 0.000 0.219 127 A C 1.168 178.972 177.584 0.367 0.000 1.169 127 A CA 3.355 55.608 52.037 0.360 0.000 0.635 127 A CB -0.253 18.923 19.000 0.293 0.000 0.810 127 A HN -0.032 8.360 8.150 0.403 0.000 0.446 128 T N -6.847 107.868 114.554 0.268 0.000 3.033 128 T HA 0.114 4.593 4.350 0.215 0.000 0.248 128 T C 1.717 176.456 174.700 0.067 0.000 1.040 128 T CA 1.581 63.788 62.100 0.178 0.000 1.133 128 T CB 0.977 69.904 68.868 0.098 0.000 0.895 128 T HN -0.684 7.668 8.240 0.220 0.021 0.465 129 V N 1.078 120.940 119.914 -0.087 0.000 2.492 129 V HA -0.053 3.901 4.120 -0.276 0.000 0.241 129 V C 0.570 176.338 176.094 -0.544 0.000 1.041 129 V CA 1.504 63.600 62.300 -0.341 0.000 1.057 129 V CB 0.799 32.212 31.823 -0.683 0.000 0.711 129 V HN -0.008 8.159 8.190 -0.039 0.000 0.468 130 G N -3.248 105.107 108.800 -0.742 0.000 2.298 130 G HA2 -0.100 3.221 3.960 -1.065 0.000 0.309 130 G HA3 -0.100 1.955 3.960 -3.174 0.000 0.309 130 G C -3.649 170.867 174.900 -0.641 0.000 1.279 130 G CA -0.651 43.580 45.100 -1.448 0.000 1.042 130 G HN -0.828 7.232 8.290 -0.383 0.000 0.480 131 P HA 0.288 4.968 4.420 0.103 -0.198 0.266 131 P C -1.300 175.999 177.300 -0.002 0.000 1.195 131 P CA 0.259 63.344 63.100 -0.024 0.000 0.768 131 P CB 0.460 32.196 31.700 0.059 0.000 0.838 132 I N 2.914 123.526 120.570 0.070 0.000 2.465 132 I HA 0.114 4.353 4.170 0.114 0.000 0.291 132 I C -0.621 175.553 176.117 0.094 0.000 1.014 132 I CA -2.541 58.813 61.300 0.091 0.000 1.093 132 I CB 2.211 40.258 38.000 0.079 0.000 1.267 132 I HN 0.304 8.575 8.210 0.101 0.000 0.431 133 S N 7.481 123.271 115.700 0.150 0.000 2.533 133 S HA 0.274 4.934 4.470 0.063 -0.152 0.282 133 S C -0.341 174.275 174.600 0.026 0.000 1.304 133 S CA 0.971 59.234 58.200 0.106 0.000 1.063 133 S CB -0.248 63.073 63.200 0.201 0.000 0.881 133 S HN -0.075 8.365 8.310 0.216 0.000 0.493 134 V N -3.068 116.816 119.914 -0.049 0.000 3.007 134 V HA 0.673 4.882 4.120 -0.081 -0.138 0.311 134 V C -1.670 174.347 176.094 -0.128 0.000 1.120 134 V CA -2.690 59.552 62.300 -0.097 0.000 0.980 134 V CB 4.640 36.372 31.823 -0.151 0.000 1.033 134 V HN 0.025 8.176 8.190 -0.065 0.000 0.429 135 A N 1.925 124.671 122.820 -0.124 0.000 2.301 135 A HA 0.962 5.363 4.320 -0.142 -0.167 0.312 135 A C -0.990 176.517 177.584 -0.129 0.000 1.182 135 A CA -1.918 50.042 52.037 -0.128 0.000 0.826 135 A CB 1.627 20.561 19.000 -0.108 0.000 1.134 135 A HN -0.036 8.046 8.150 -0.112 0.000 0.501 136 I N -4.867 115.621 120.570 -0.137 0.000 2.969 136 I HA 0.888 5.150 4.170 -0.122 -0.165 0.307 136 I C -1.865 174.168 176.117 -0.141 0.000 1.149 136 I CA -2.783 58.431 61.300 -0.144 0.000 1.008 136 I CB 4.545 42.435 38.000 -0.184 0.000 1.232 136 I HN 0.365 8.491 8.210 -0.140 0.000 0.435 137 D N 3.540 123.861 120.400 -0.131 0.000 2.402 137 D HA 0.006 4.590 4.640 -0.093 0.000 0.235 137 D C -0.404 175.794 176.300 -0.170 0.000 1.226 137 D CA -0.504 53.439 54.000 -0.095 0.000 0.918 137 D CB -0.144 40.652 40.800 -0.007 0.000 1.043 137 D HN -0.081 8.218 8.370 -0.119 0.000 0.506 138 A N 5.271 127.903 122.820 -0.314 0.000 2.348 138 A HA 0.147 3.851 4.320 -1.026 0.000 0.224 138 A C -0.199 177.271 177.584 -0.190 0.000 1.227 138 A CA -0.576 51.076 52.037 -0.642 0.000 0.885 138 A CB 1.478 19.938 19.000 -0.900 0.000 0.933 138 A HN 0.257 8.585 8.150 -0.240 -0.322 0.506 139 G N -0.138 108.557 108.800 -0.175 0.000 3.213 139 G HA2 -0.054 3.799 3.960 -0.297 0.000 0.263 139 G HA3 -0.054 3.825 3.960 -0.136 0.000 0.263 139 G C -1.633 172.945 174.900 -0.537 0.000 0.829 139 G CA 0.325 45.267 45.100 -0.262 0.000 1.983 139 G HN -0.498 7.878 8.290 -0.180 -0.194 0.616 140 H N 0.530 119.684 119.070 0.140 0.000 3.029 140 H HA 0.076 4.733 4.556 0.167 0.000 0.358 140 H C -0.967 174.536 175.328 0.292 0.000 1.129 140 H CA -0.986 55.190 56.048 0.213 0.000 1.230 140 H CB 3.450 33.375 29.762 0.273 0.000 1.827 140 H HN -0.564 7.776 8.280 0.177 0.046 0.530 141 E N 4.454 124.887 120.200 0.389 0.000 2.160 141 E HA -0.405 4.174 4.350 0.380 0.000 0.195 141 E C 1.728 178.663 176.600 0.559 0.000 0.991 141 E CA 3.635 60.304 56.400 0.449 0.000 0.810 141 E CB -0.046 29.917 29.700 0.439 0.000 0.742 141 E HN 0.529 9.096 8.360 0.346 0.000 0.466 142 S N -1.749 114.274 115.700 0.538 0.000 2.399 142 S HA -0.260 4.519 4.470 0.515 0.000 0.231 142 S C 1.150 176.178 174.600 0.712 0.000 1.022 142 S CA 2.749 61.301 58.200 0.587 0.000 0.983 142 S CB -0.786 62.725 63.200 0.520 0.000 0.803 142 S HN 0.255 8.857 8.310 0.506 0.012 0.480 143 F N 1.865 122.115 119.950 0.499 0.000 2.149 143 F HA -0.144 4.423 4.527 0.067 0.000 0.294 143 F C 1.137 177.253 175.800 0.527 0.000 1.095 143 F CA 2.705 60.871 58.000 0.277 0.000 1.276 143 F CB 0.926 39.981 39.000 0.092 0.000 1.023 143 F HN -0.837 7.823 8.300 0.782 0.109 0.480 144 L N -2.201 119.319 121.223 0.495 0.000 2.079 144 L HA -0.375 4.217 4.340 0.419 0.000 0.210 144 L C 1.207 178.099 176.870 0.037 0.000 1.081 144 L CA 3.152 58.101 54.840 0.181 0.000 0.752 144 L CB -0.460 41.421 42.059 -0.296 0.000 0.896 144 L HN -0.465 8.051 8.230 0.476 0.000 0.433 145 F N -7.733 112.418 119.950 0.335 0.000 2.641 145 F HA 0.074 4.691 4.527 0.149 0.000 0.302 145 F C 0.036 175.875 175.800 0.064 0.000 1.098 145 F CA -1.436 56.669 58.000 0.175 0.000 1.318 145 F CB 0.163 39.243 39.000 0.133 0.000 1.035 145 F HN -0.734 7.759 8.300 0.346 0.014 0.551 146 Y N 3.429 123.734 120.300 0.009 0.000 2.610 146 Y HA -0.274 4.255 4.550 -0.035 0.000 0.332 146 Y C -0.900 174.714 175.900 -0.476 0.000 1.201 146 Y CA 2.044 60.008 58.100 -0.227 0.000 1.465 146 Y CB 1.199 39.388 38.460 -0.453 0.000 1.283 146 Y HN -0.593 7.696 8.280 0.303 0.172 0.563 147 K N 3.708 123.442 120.400 -1.109 0.000 2.485 147 K HA 0.079 3.899 4.320 -0.832 0.000 0.200 147 K C -1.668 174.278 176.600 -1.090 0.000 1.344 147 K CA 0.274 56.011 56.287 -0.917 0.000 0.948 147 K CB 1.792 34.035 32.500 -0.428 0.000 1.454 147 K HN 0.109 7.753 8.250 -1.011 0.000 0.502 148 E N -3.006 116.600 120.200 -0.991 0.000 2.366 148 E HA 0.099 4.199 4.350 -0.417 0.000 0.278 148 E C -0.396 176.100 176.600 -0.173 0.000 0.923 148 E CA -1.195 54.923 56.400 -0.471 0.000 0.761 148 E CB 2.700 32.252 29.700 -0.247 0.000 1.231 148 E HN -0.569 7.228 8.360 -0.939 0.000 0.443 149 G N 0.844 109.642 108.800 -0.005 0.000 2.660 149 G HA2 -0.302 3.697 3.960 0.066 0.000 0.215 149 G HA3 -0.302 3.660 3.960 0.003 0.000 0.215 149 G C -1.970 173.055 174.900 0.208 0.000 1.345 149 G CA -0.548 44.594 45.100 0.071 0.000 0.877 149 G HN -0.136 8.134 8.290 -0.033 0.000 0.549 150 I N 0.864 121.532 120.570 0.164 0.000 2.352 150 I HA 0.074 4.534 4.170 0.194 -0.173 0.290 150 I C -0.036 176.265 176.117 0.305 0.000 1.036 150 I CA -0.388 61.035 61.300 0.205 0.000 1.336 150 I CB 0.226 38.329 38.000 0.171 0.000 1.407 150 I HN 0.081 8.364 8.210 0.122 0.000 0.497 151 Y N 10.195 130.621 120.300 0.209 0.000 2.436 151 Y HA -0.076 4.640 4.550 0.278 0.000 0.336 151 Y C -2.572 173.522 175.900 0.324 0.000 1.049 151 Y CA 0.360 58.594 58.100 0.224 0.000 1.294 151 Y CB 1.070 39.550 38.460 0.033 0.000 1.179 151 Y HN 0.637 9.153 8.280 0.392 0.000 0.520 152 F N 8.221 127.908 119.950 -0.438 0.000 2.585 152 F HA 0.318 4.668 4.527 -0.295 0.000 0.319 152 F C -2.304 173.251 175.800 -0.410 0.000 1.165 152 F CA -1.709 56.064 58.000 -0.378 0.000 0.949 152 F CB 3.178 41.998 39.000 -0.300 0.000 1.218 152 F HN 0.188 8.341 8.300 -0.245 0.000 0.453 153 E N 8.307 128.131 120.200 -0.626 0.000 2.182 153 E HA 0.593 4.724 4.350 -0.365 0.000 0.258 153 E C -1.995 174.296 176.600 -0.516 0.000 0.879 153 E CA -4.138 51.956 56.400 -0.509 0.000 0.754 153 E CB 1.138 30.544 29.700 -0.490 0.000 1.162 153 E HN 0.096 8.352 8.360 -0.173 0.000 0.419 154 P HA -0.215 4.094 4.420 -0.186 0.000 0.218 154 P C -0.007 177.214 177.300 -0.132 0.000 1.148 154 P CA 1.792 64.801 63.100 -0.151 0.000 0.822 154 P CB 0.286 32.012 31.700 0.044 0.000 0.784 155 D N -3.366 116.937 120.400 -0.161 0.000 2.336 155 D HA 0.099 4.716 4.640 -0.037 0.000 0.228 155 D C 0.115 176.322 176.300 -0.155 0.000 1.120 155 D CA -0.936 53.012 54.000 -0.088 0.000 0.839 155 D CB 0.238 41.054 40.800 0.028 0.000 0.932 155 D HN -0.383 8.196 8.370 -0.190 -0.323 0.509 156 c N -0.593 117.797 118.600 -0.350 0.000 2.652 156 c HA 0.089 4.650 4.570 -0.233 -0.130 0.412 156 c C -0.378 173.614 174.090 -0.163 0.000 1.294 156 c CA 0.869 56.993 56.329 -0.341 0.000 2.127 156 c CB 0.431 42.544 42.510 -0.661 0.000 2.691 156 c HN -0.529 7.398 8.230 -0.397 0.065 0.615 157 S N 3.718 119.381 115.700 -0.061 0.000 2.509 157 S HA 0.169 4.616 4.470 -0.038 0.000 0.297 157 S C 0.512 175.072 174.600 -0.066 0.000 1.118 157 S CA -0.767 57.409 58.200 -0.041 0.000 1.074 157 S CB 1.935 65.134 63.200 -0.000 0.000 1.038 157 S HN 0.135 8.735 8.310 -0.002 -0.292 0.498 158 S N 4.465 120.138 115.700 -0.045 0.000 2.577 158 S HA 0.175 4.713 4.470 -0.048 -0.096 0.219 158 S C 0.839 175.424 174.600 -0.025 0.000 0.962 158 S CA 0.528 58.707 58.200 -0.034 0.000 0.921 158 S CB -0.206 62.990 63.200 -0.007 0.000 0.789 158 S HN 0.645 8.936 8.310 -0.031 0.000 0.497 159 E N 0.107 120.293 120.200 -0.024 0.000 2.367 159 E HA 0.138 4.474 4.350 -0.023 0.000 0.204 159 E C -0.576 176.006 176.600 -0.030 0.000 0.840 159 E CA 0.212 56.598 56.400 -0.023 0.000 1.051 159 E CB 2.140 31.832 29.700 -0.014 0.000 1.051 159 E HN -0.387 7.905 8.360 -0.023 0.054 0.509 160 D N 2.439 122.821 120.400 -0.029 0.000 2.499 160 D HA 0.202 4.820 4.640 -0.036 0.000 0.225 160 D C -1.413 174.862 176.300 -0.042 0.000 1.124 160 D CA -0.475 53.505 54.000 -0.033 0.000 0.938 160 D CB -1.111 39.674 40.800 -0.026 0.000 1.014 160 D HN -0.232 8.123 8.370 -0.025 0.000 0.517 161 M N 0.848 120.417 119.600 -0.052 0.000 2.314 161 M HA -0.001 4.511 4.480 -0.066 -0.072 0.342 161 M C -0.481 175.787 176.300 -0.053 0.000 1.171 161 M CA -0.064 55.198 55.300 -0.062 0.000 1.098 161 M CB 1.408 33.964 32.600 -0.074 0.000 1.559 161 M HN -0.349 7.909 8.290 -0.052 0.000 0.459 162 D N -0.940 119.434 120.400 -0.043 0.000 2.602 162 D HA 0.098 4.730 4.640 -0.013 0.000 0.265 162 D C -0.745 175.598 176.300 0.072 0.000 1.454 162 D CA 0.082 54.076 54.000 -0.010 0.000 0.795 162 D CB 0.927 41.706 40.800 -0.033 0.000 1.140 162 D HN 0.485 8.825 8.370 -0.050 0.000 0.486 163 H N 0.108 119.113 119.070 -0.109 0.000 3.099 163 H HA 0.274 4.795 4.556 -0.059 0.000 0.342 163 H C -2.008 173.238 175.328 -0.136 0.000 1.054 163 H CA 0.003 55.979 56.048 -0.120 0.000 1.328 163 H CB 2.923 32.554 29.762 -0.217 0.000 1.876 163 H HN -0.779 7.509 8.280 0.013 0.000 0.495 164 G N 4.306 112.873 108.800 -0.388 0.000 2.322 164 G HA2 0.494 4.328 3.960 -0.211 0.000 0.309 164 G HA3 0.494 4.479 3.960 -0.257 -0.179 0.309 164 G C -1.826 172.754 174.900 -0.532 0.000 1.121 164 G CA -0.582 44.316 45.100 -0.336 0.000 0.886 164 G HN -0.294 7.798 8.290 -0.329 0.000 0.447 165 V N -0.713 118.979 119.914 -0.370 0.000 3.084 165 V HA 0.460 4.370 4.120 -0.350 0.000 0.311 165 V C -2.878 173.127 176.094 -0.147 0.000 1.311 165 V CA -2.690 59.420 62.300 -0.317 0.000 1.062 165 V CB 3.411 35.038 31.823 -0.327 0.000 1.113 165 V HN 0.474 8.499 8.190 -0.276 0.000 0.468 166 L N -0.681 120.489 121.223 -0.088 0.000 2.406 166 L HA 0.601 5.099 4.340 0.010 -0.152 0.272 166 L C -1.796 175.115 176.870 0.068 0.000 0.980 166 L CA -1.211 53.631 54.840 0.003 0.000 0.831 166 L CB 3.713 45.786 42.059 0.024 0.000 1.253 166 L HN -0.479 7.689 8.230 -0.102 0.000 0.406 167 V N 6.964 126.930 119.914 0.087 0.000 2.408 167 V HA 0.282 4.701 4.120 0.223 -0.165 0.267 167 V C 0.541 176.792 176.094 0.262 0.000 1.047 167 V CA 0.341 62.748 62.300 0.178 0.000 0.937 167 V CB -0.510 31.370 31.823 0.094 0.000 0.999 167 V HN 0.434 8.656 8.190 0.052 0.000 0.472 168 V N 1.433 121.549 119.914 0.336 0.000 3.578 168 V HA 0.671 5.021 4.120 0.383 0.000 0.290 168 V C -1.048 175.271 176.094 0.375 0.000 1.376 168 V CA -1.292 61.232 62.300 0.372 0.000 1.083 168 V CB 0.409 32.445 31.823 0.356 0.000 0.911 168 V HN 0.528 8.932 8.190 0.356 0.000 0.433 169 G N -1.307 107.707 108.800 0.356 0.000 2.323 169 G HA2 0.434 4.560 3.960 0.006 0.000 0.291 169 G HA3 0.434 4.470 3.960 0.126 0.000 0.291 169 G C -3.262 171.850 174.900 0.353 0.000 1.278 169 G CA 0.988 46.197 45.100 0.182 0.000 0.860 169 G HN -0.840 7.706 8.290 0.427 0.000 0.504 170 Y N -4.389 115.946 120.300 0.058 0.000 2.713 170 Y HA 0.752 5.375 4.550 -0.048 -0.101 0.335 170 Y C -2.406 173.286 175.900 -0.347 0.000 1.222 170 Y CA -1.449 56.577 58.100 -0.123 0.000 1.061 170 Y CB 2.145 40.443 38.460 -0.271 0.000 1.314 170 Y HN 0.239 8.280 8.280 -0.398 0.000 0.453 171 G N -2.285 106.187 108.800 -0.546 0.000 2.435 171 G HA2 0.413 3.917 3.960 -0.760 0.000 0.296 171 G HA3 0.413 4.363 3.960 -0.271 -0.152 0.296 171 G C -3.443 171.002 174.900 -0.758 0.000 1.240 171 G CA 0.323 45.036 45.100 -0.645 0.000 0.872 171 G HN 0.070 7.931 8.290 -0.715 0.000 0.480 172 F N -4.053 115.566 119.950 -0.550 0.000 2.631 172 F HA 0.876 5.411 4.527 -0.245 -0.154 0.308 172 F C -1.884 173.984 175.800 0.114 0.000 1.097 172 F CA -2.752 55.121 58.000 -0.212 0.000 0.952 172 F CB 2.596 41.515 39.000 -0.135 0.000 1.307 172 F HN -0.033 7.749 8.300 -0.864 0.000 0.450 173 E N 2.349 122.758 120.200 0.349 0.000 2.227 173 E HA 0.108 4.547 4.350 0.149 0.000 0.268 173 E C -0.481 176.262 176.600 0.239 0.000 0.990 173 E CA -0.857 55.681 56.400 0.231 0.000 0.856 173 E CB 1.464 31.279 29.700 0.192 0.000 1.159 173 E HN 0.192 8.773 8.360 0.369 0.000 0.401 174 S N -0.221 115.568 115.700 0.149 0.000 4.059 174 S HA -0.276 4.251 4.470 0.095 0.000 0.624 174 S C -0.706 174.031 174.600 0.229 0.000 2.019 174 S CA 2.372 60.653 58.200 0.136 0.000 4.197 174 S CB -0.909 62.349 63.200 0.095 0.000 0.215 174 S HN 0.539 8.909 8.310 0.099 0.000 0.609 180 N N -0.033 118.669 118.700 0.003 0.000 2.187 180 N HA 0.083 4.876 4.740 0.088 0.000 0.212 180 N C -1.126 174.467 175.510 0.137 0.000 1.152 180 N CA -0.157 52.939 53.050 0.078 0.000 0.872 180 N CB 0.980 39.521 38.487 0.090 0.000 1.025 180 N HN 0.103 8.476 8.380 -0.012 0.000 0.514 181 K N -0.409 120.022 120.400 0.051 0.000 2.118 181 K HA 0.453 4.894 4.320 -0.030 -0.139 0.264 181 K C -0.735 175.880 176.600 0.026 0.000 1.000 181 K CA -0.264 56.006 56.287 -0.028 0.000 0.929 181 K CB 1.851 34.263 32.500 -0.148 0.000 1.021 181 K HN -0.303 7.952 8.250 0.008 0.000 0.463 182 Y N -3.211 117.060 120.300 -0.049 0.000 2.571 182 Y HA 0.741 5.594 4.550 -0.006 -0.307 0.341 182 Y C -2.246 173.613 175.900 -0.068 0.000 1.076 182 Y CA -2.721 55.372 58.100 -0.012 0.000 1.029 182 Y CB 2.921 41.445 38.460 0.107 0.000 1.308 182 Y HN 0.180 8.147 8.280 -0.522 0.000 0.461 183 W N -1.308 120.227 121.300 0.392 0.000 2.365 183 W HA 0.202 5.063 4.660 0.334 0.000 0.316 183 W C -0.479 176.303 176.519 0.439 0.000 1.164 183 W CA -1.381 56.177 57.345 0.355 0.000 1.204 183 W CB 1.671 31.289 29.460 0.262 0.000 1.213 183 W HN 0.478 8.967 8.180 0.515 0.000 0.539 184 L N 3.056 124.664 121.223 0.641 0.000 2.283 184 L HA 0.132 4.750 4.340 0.463 0.000 0.287 184 L C -1.359 175.789 176.870 0.463 0.000 1.073 184 L CA -0.250 54.884 54.840 0.491 0.000 0.822 184 L CB -0.304 41.969 42.059 0.357 0.000 1.186 184 L HN 0.301 8.784 8.230 0.616 0.117 0.436 185 V N 5.441 125.616 119.914 0.434 0.000 2.409 185 V HA 0.510 4.970 4.120 0.267 -0.180 0.291 185 V C -1.129 175.084 176.094 0.199 0.000 1.020 185 V CA -1.893 60.585 62.300 0.297 0.000 0.848 185 V CB 1.632 33.587 31.823 0.220 0.000 0.990 185 V HN 0.537 8.985 8.190 0.430 0.000 0.430 186 K N 7.218 127.622 120.400 0.008 0.000 2.312 186 K HA 0.097 3.769 4.320 -1.079 0.000 0.287 186 K C -1.386 175.018 176.600 -0.326 0.000 1.062 186 K CA 0.036 56.043 56.287 -0.466 0.000 0.934 186 K CB 1.320 33.638 32.500 -0.303 0.000 1.027 186 K HN 0.133 8.441 8.250 0.098 0.000 0.478 187 N N 6.509 124.981 118.700 -0.380 0.000 2.491 187 N HA 0.133 4.589 4.740 -0.472 0.000 0.279 187 N C -1.028 174.221 175.510 -0.435 0.000 1.236 187 N CA -0.970 51.802 53.050 -0.464 0.000 0.982 187 N CB 2.674 40.745 38.487 -0.693 0.000 1.194 187 N HN -0.262 7.878 8.380 -0.400 0.000 0.582 188 S N -3.078 112.300 115.700 -0.536 0.000 2.668 188 S HA 0.367 4.711 4.470 -0.426 -0.130 0.244 188 S C -0.568 173.883 174.600 -0.248 0.000 1.140 188 S CA -0.839 57.072 58.200 -0.481 0.000 1.134 188 S CB -0.595 62.189 63.200 -0.694 0.000 0.954 188 S HN 0.492 8.368 8.310 -0.724 0.000 0.490 189 W N 1.579 122.660 121.300 -0.365 0.000 2.771 189 W HA 0.443 4.912 4.660 -0.318 0.000 0.412 189 W C 0.471 176.902 176.519 -0.147 0.000 0.965 189 W CA -2.821 54.333 57.345 -0.319 0.000 2.045 189 W CB -1.246 27.902 29.460 -0.520 0.000 1.176 189 W HN -0.020 8.066 8.180 -0.157 0.000 0.634 190 G N -0.425 108.411 108.800 0.061 0.000 2.829 190 G HA2 -0.361 3.644 3.960 0.075 0.000 0.628 190 G HA3 -0.361 3.615 3.960 0.027 0.000 0.628 190 G C -0.494 174.490 174.900 0.140 0.000 1.412 190 G CA -0.508 44.635 45.100 0.070 0.000 0.864 190 G HN -0.537 7.678 8.290 -0.025 0.060 0.544 191 E N 1.575 121.844 120.200 0.114 0.000 2.274 191 E HA -0.325 4.164 4.350 0.147 -0.051 0.194 191 E C 1.372 178.057 176.600 0.142 0.000 0.996 191 E CA 2.744 59.222 56.400 0.130 0.000 0.840 191 E CB -0.076 29.681 29.700 0.096 0.000 0.772 191 E HN 0.441 8.854 8.360 0.089 0.000 0.491 192 E N -2.799 117.485 120.200 0.141 0.000 2.482 192 E HA -0.133 4.265 4.350 0.079 0.000 0.196 192 E C -0.633 176.062 176.600 0.159 0.000 1.047 192 E CA 0.576 57.046 56.400 0.117 0.000 0.869 192 E CB -0.014 29.741 29.700 0.091 0.000 0.836 192 E HN 0.122 8.530 8.360 0.139 0.036 0.520 193 W N 0.695 122.026 121.300 0.051 0.000 2.376 193 W HA -0.089 4.604 4.660 0.055 0.000 0.322 193 W C -0.512 176.046 176.519 0.065 0.000 1.160 193 W CA 1.008 58.396 57.345 0.072 0.000 1.218 193 W CB 1.298 30.855 29.460 0.161 0.000 1.205 193 W HN -1.012 7.326 8.180 0.400 0.082 0.559 194 G N 6.673 114.908 108.800 -0.942 0.000 2.564 194 G HA2 -0.473 3.017 3.960 -0.972 0.000 0.273 194 G HA3 -0.473 2.951 3.960 -1.074 -0.109 0.273 194 G C -0.662 174.037 174.900 -0.334 0.000 1.242 194 G CA 0.185 44.761 45.100 -0.873 0.000 0.951 194 G HN -0.265 7.345 8.290 -1.133 0.000 0.564 195 M N 3.754 123.294 119.600 -0.100 0.000 2.495 195 M HA -0.014 4.416 4.480 -0.083 0.000 0.346 195 M C 0.739 177.110 176.300 0.118 0.000 1.251 195 M CA -0.431 54.860 55.300 -0.016 0.000 1.249 195 M CB -0.786 31.820 32.600 0.011 0.000 1.229 195 M HN 0.059 8.355 8.290 0.011 0.000 0.450 196 G N 2.196 111.050 108.800 0.090 0.000 2.258 196 G HA2 -0.388 3.672 3.960 0.167 0.000 0.274 196 G HA3 -0.388 3.895 3.960 0.117 -0.253 0.274 196 G C 0.206 175.253 174.900 0.245 0.000 1.021 196 G CA 0.310 45.504 45.100 0.157 0.000 0.798 196 G HN 0.581 8.891 8.290 0.034 0.000 0.507 197 G N -4.142 104.807 108.800 0.248 0.000 2.176 197 G HA2 -0.376 3.671 3.960 0.145 0.000 0.232 197 G HA3 -0.376 4.029 3.960 0.426 -0.190 0.232 197 G C -1.298 173.702 174.900 0.166 0.000 0.986 197 G CA -0.127 45.131 45.100 0.264 0.000 0.643 197 G HN 0.056 8.433 8.290 0.216 0.042 0.522 198 Y N -0.821 119.622 120.300 0.238 0.000 2.496 198 Y HA 0.744 5.602 4.550 0.235 -0.167 0.331 198 Y C -1.577 174.450 175.900 0.213 0.000 1.140 198 Y CA -0.111 58.118 58.100 0.215 0.000 1.166 198 Y CB 3.061 41.597 38.460 0.127 0.000 1.249 198 Y HN -0.748 7.503 8.280 0.420 0.281 0.479 199 V N -0.611 119.495 119.914 0.320 0.000 2.789 199 V HA 0.455 4.646 4.120 0.118 0.000 0.311 199 V C -2.121 174.062 176.094 0.149 0.000 1.073 199 V CA -2.480 59.862 62.300 0.070 0.000 0.921 199 V CB 4.082 35.728 31.823 -0.295 0.000 1.009 199 V HN 0.567 8.959 8.190 0.337 0.000 0.426 200 K N 8.221 128.679 120.400 0.098 0.000 2.267 200 K HA 0.550 5.211 4.320 0.222 -0.208 0.282 200 K C -0.614 176.135 176.600 0.249 0.000 1.078 200 K CA -1.073 55.288 56.287 0.123 0.000 0.903 200 K CB 0.617 32.987 32.500 -0.216 0.000 1.111 200 K HN -0.363 7.954 8.250 0.112 0.000 0.475 201 M N 4.917 124.760 119.600 0.405 0.000 2.238 201 M HA 0.228 5.001 4.480 0.488 0.000 0.350 201 M C -0.608 176.014 176.300 0.537 0.000 1.138 201 M CA -1.064 54.530 55.300 0.490 0.000 1.040 201 M CB 2.638 35.530 32.600 0.486 0.000 1.639 201 M HN 0.153 8.727 8.290 0.472 0.000 0.451 202 A N 4.496 127.600 122.820 0.473 0.000 2.580 202 A HA -0.193 4.299 4.320 0.287 0.000 0.244 202 A C -1.416 176.392 177.584 0.374 0.000 1.045 202 A CA 1.099 53.345 52.037 0.349 0.000 0.761 202 A CB 0.135 19.297 19.000 0.270 0.000 0.962 202 A HN 0.065 8.511 8.150 0.494 0.000 0.512 203 K N 4.369 124.854 120.400 0.141 0.000 2.259 203 K HA 0.224 4.799 4.320 0.181 -0.147 0.252 203 K C -0.872 175.713 176.600 -0.024 0.000 0.936 203 K CA -1.528 54.711 56.287 -0.079 0.000 0.810 203 K CB 2.756 34.782 32.500 -0.791 0.000 1.143 203 K HN -0.481 7.821 8.250 0.087 0.000 0.427 204 D N 1.443 121.878 120.400 0.058 0.000 2.772 204 D HA -0.264 4.545 4.640 0.087 -0.117 0.233 204 D C -0.954 175.387 176.300 0.068 0.000 1.143 204 D CA 1.744 55.770 54.000 0.042 0.000 0.700 204 D CB -1.535 39.231 40.800 -0.058 0.000 1.076 204 D HN -0.009 8.853 8.370 0.166 -0.392 0.430 205 R N -1.893 118.692 120.500 0.143 0.000 3.220 205 R HA 0.095 4.498 4.340 0.106 0.000 0.324 205 R C -0.878 175.552 176.300 0.216 0.000 1.283 205 R CA -1.054 55.141 56.100 0.158 0.000 1.387 205 R CB 0.218 30.620 30.300 0.170 0.000 1.413 205 R HN -0.347 8.014 8.270 0.200 0.029 0.610 206 R N -3.154 117.446 120.500 0.167 0.000 3.336 206 R HA -0.353 4.061 4.340 0.124 0.000 0.260 206 R C -0.922 175.482 176.300 0.172 0.000 1.032 206 R CA 0.658 56.848 56.100 0.150 0.000 0.693 206 R CB -2.388 27.989 30.300 0.128 0.000 1.134 206 R HN 0.269 8.622 8.270 0.139 0.000 0.433 207 N N -4.182 114.638 118.700 0.200 0.000 2.727 207 N HA -0.407 4.522 4.740 0.213 -0.061 0.251 207 N C -1.285 174.332 175.510 0.178 0.000 1.040 207 N CA 0.709 53.867 53.050 0.180 0.000 0.712 207 N CB -0.244 38.306 38.487 0.105 0.000 0.912 207 N HN -0.131 8.692 8.380 0.218 -0.312 0.545 208 H N -0.666 118.494 119.070 0.150 0.000 3.004 208 H HA -0.154 4.431 4.556 0.049 0.000 0.316 208 H C 0.545 175.919 175.328 0.077 0.000 1.014 208 H CA 2.585 58.694 56.048 0.103 0.000 1.454 208 H CB 0.536 30.397 29.762 0.166 0.000 1.472 208 H HN 0.078 8.604 8.280 0.410 0.000 0.571 209 c N 3.644 122.007 118.600 -0.395 0.000 4.326 209 c HA -0.318 4.214 4.570 -0.272 -0.125 0.284 209 c C 0.239 174.264 174.090 -0.109 0.000 1.419 209 c CA 0.697 56.877 56.329 -0.248 0.000 1.920 209 c CB -2.870 39.537 42.510 -0.173 0.000 1.306 209 c HN 1.183 9.071 8.230 -0.571 0.000 0.786 210 G N -1.761 107.000 108.800 -0.064 0.000 2.160 210 G HA2 -0.489 3.436 3.960 -0.058 0.000 0.251 210 G HA3 -0.489 3.454 3.960 -0.029 0.000 0.251 210 G C 0.759 175.621 174.900 -0.063 0.000 1.008 210 G CA 0.878 45.949 45.100 -0.048 0.000 0.724 210 G HN 0.066 8.274 8.290 -0.048 0.054 0.514 211 I N 0.923 121.455 120.570 -0.063 0.000 2.423 211 I HA -0.252 3.986 4.170 -0.152 -0.159 0.254 211 I C 0.003 175.997 176.117 -0.205 0.000 1.151 211 I CA 2.389 63.597 61.300 -0.153 0.000 1.421 211 I CB -0.007 37.870 38.000 -0.204 0.000 1.079 211 I HN -0.808 7.390 8.210 -0.021 0.000 0.431 212 A N -3.738 119.010 122.820 -0.119 0.000 2.387 212 A HA 0.085 4.320 4.320 -0.142 0.000 0.234 212 A C 0.096 177.652 177.584 -0.047 0.000 1.253 212 A CA -0.023 51.958 52.037 -0.094 0.000 0.894 212 A CB 0.452 19.435 19.000 -0.027 0.000 0.963 212 A HN -0.058 8.394 8.150 -0.061 -0.339 0.508 213 S N 0.037 115.708 115.700 -0.048 0.000 2.461 213 S HA -0.067 4.392 4.470 -0.020 0.000 0.228 213 S C 0.170 174.746 174.600 -0.040 0.000 1.005 213 S CA 2.961 61.140 58.200 -0.034 0.000 0.942 213 S CB 0.087 63.266 63.200 -0.035 0.000 0.776 213 S HN -0.114 7.994 8.310 -0.059 0.167 0.514 214 A N -0.583 122.204 122.820 -0.055 0.000 3.474 214 A HA 0.169 4.465 4.320 -0.040 0.000 0.251 214 A C -2.499 175.055 177.584 -0.049 0.000 1.062 214 A CA -0.456 51.548 52.037 -0.055 0.000 0.945 214 A CB -0.009 18.943 19.000 -0.080 0.000 1.296 214 A HN -0.032 8.078 8.150 -0.066 0.000 0.592 215 A N 0.711 123.517 122.820 -0.024 0.000 2.306 215 A HA 0.925 5.444 4.320 -0.008 -0.204 0.314 215 A C -0.905 176.722 177.584 0.070 0.000 1.164 215 A CA -1.467 50.572 52.037 0.003 0.000 0.822 215 A CB 2.039 21.026 19.000 -0.022 0.000 1.130 215 A HN -0.122 8.017 8.150 -0.018 0.000 0.496 216 S N 0.992 116.773 115.700 0.135 0.000 2.611 216 S HA 0.986 5.675 4.470 0.138 -0.136 0.268 216 S C -2.462 172.311 174.600 0.289 0.000 1.156 216 S CA -0.340 57.969 58.200 0.181 0.000 0.817 216 S CB 3.194 66.497 63.200 0.172 0.000 1.122 216 S HN 0.254 8.649 8.310 0.142 0.000 0.466 217 Y N -6.616 113.722 120.300 0.064 0.000 2.609 217 Y HA 0.593 4.988 4.550 -0.257 0.000 0.336 217 Y C -3.330 172.291 175.900 -0.466 0.000 1.129 217 Y CA -2.164 55.817 58.100 -0.198 0.000 1.040 217 Y CB 0.897 39.291 38.460 -0.110 0.000 1.310 217 Y HN -0.105 8.054 8.280 -0.201 0.000 0.460 218 P HA 0.316 4.545 4.420 -0.560 -0.146 0.282 218 P C -1.096 176.123 177.300 -0.134 0.000 1.249 218 P CA -1.072 61.667 63.100 -0.603 0.000 0.806 218 P CB 1.530 32.786 31.700 -0.741 0.000 0.984 219 T N -3.265 111.233 114.554 -0.094 0.000 2.909 219 T HA 0.177 4.561 4.350 0.057 0.000 0.286 219 T C -0.561 174.130 174.700 -0.014 0.000 1.002 219 T CA -1.800 60.293 62.100 -0.013 0.000 1.074 219 T CB 1.558 70.400 68.868 -0.043 0.000 0.984 219 T HN -0.090 7.971 8.240 -0.108 0.114 0.495 220 V N 0.000 119.915 119.914 0.002 0.000 2.409 220 V HA 0.000 4.117 4.120 -0.004 0.000 0.244 220 V CA 0.000 62.298 62.300 -0.004 0.000 1.235 220 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 220 V HN 0.000 8.199 8.190 0.015 0.000 0.556