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 1pz5_1_B DATA FIRST_RESID 1 DATA SEQUENCE EVKVEESGGG LVQPGGSMKL ScVASGFTFS NYWMEWVRQS PEKGLEWVAE DATA SEQUENCE ISNNYATHYA ESVKGRFTIS RDDSKSSVYL QLRAEDTGIY YcTRGGAVGM DATA SEQUENCE DYWGQGTSVT VSSATTTAPS VYPLVPGCSD TSGSSVTLGc LVKGYFPEPV DATA SEQUENCE TVKWNYGALS SGVRTVSSVL QSGFYSLSSL VTVPSSTWPS QTVIcNVAHP DATA SEQUENCE ASKVDLIKEI SGP 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 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1 E C 0.000 176.543 176.600 -0.096 0.000 1.382 1 E CA 0.000 56.367 56.400 -0.055 0.000 0.976 1 E CB 0.000 29.688 29.700 -0.019 0.000 0.812 2 V N 3.278 123.035 119.914 -0.262 0.000 2.585 2 V HA 0.138 4.257 4.120 -0.001 0.000 0.296 2 V C 0.372 176.355 176.094 -0.185 0.000 1.035 2 V CA 0.654 62.761 62.300 -0.321 0.000 1.084 2 V CB 1.030 32.191 31.823 -1.104 0.000 0.953 2 V HN 0.415 8.605 8.190 -0.000 0.000 0.483 3 K N 3.887 124.286 120.400 -0.002 0.000 2.427 3 K HA 0.741 5.061 4.320 -0.001 0.000 0.252 3 K C -1.956 174.702 176.600 0.097 0.000 0.931 3 K CA -0.582 55.725 56.287 0.034 0.000 0.793 3 K CB 2.284 34.797 32.500 0.023 0.000 1.211 3 K HN 0.448 8.698 8.250 -0.000 0.000 0.426 4 V N 3.283 123.256 119.914 0.098 0.000 2.569 4 V HA 0.362 4.482 4.120 -0.001 0.000 0.301 4 V C -1.095 175.051 176.094 0.085 0.000 1.044 4 V CA -0.743 61.620 62.300 0.104 0.000 0.874 4 V CB 1.638 33.533 31.823 0.121 0.000 1.002 4 V HN 0.874 9.064 8.190 -0.000 0.000 0.424 5 E N 3.077 123.311 120.200 0.057 0.000 2.246 5 E HA 0.597 4.947 4.350 -0.001 0.000 0.266 5 E C -1.119 175.522 176.600 0.067 0.000 0.880 5 E CA -0.564 55.875 56.400 0.065 0.000 0.762 5 E CB 2.039 31.769 29.700 0.049 0.000 1.180 5 E HN 0.770 9.130 8.360 -0.000 0.000 0.416 6 E N 1.201 121.463 120.200 0.104 0.000 2.254 6 E HA 0.606 4.956 4.350 -0.001 0.000 0.261 6 E C -0.808 175.874 176.600 0.136 0.000 1.051 6 E CA -0.521 55.980 56.400 0.169 0.000 0.902 6 E CB 1.764 31.620 29.700 0.260 0.000 1.168 6 E HN 0.489 8.849 8.360 -0.000 0.000 0.423 7 S N -1.291 114.499 115.700 0.151 0.000 2.636 7 S HA 0.654 5.123 4.470 -0.001 0.000 0.268 7 S C 0.485 175.110 174.600 0.042 0.000 1.159 7 S CA -0.482 57.763 58.200 0.074 0.000 0.815 7 S CB 1.159 64.391 63.200 0.055 0.000 1.130 7 S HN 1.115 9.425 8.310 -0.000 0.000 0.471 8 G N -0.522 108.271 108.800 -0.012 0.000 2.176 8 G HA2 0.065 4.024 3.960 -0.001 0.000 0.232 8 G HA3 0.065 4.024 3.960 -0.001 0.000 0.232 8 G C 0.767 175.602 174.900 -0.109 0.000 0.986 8 G CA 0.227 45.291 45.100 -0.060 0.000 0.643 8 G HN 1.648 9.938 8.290 -0.000 0.000 0.522 9 G N -0.383 108.359 108.800 -0.096 0.000 2.667 9 G HA2 0.720 4.680 3.960 -0.001 0.000 0.250 9 G HA3 0.720 4.680 3.960 -0.001 0.000 0.250 9 G C 0.682 175.508 174.900 -0.123 0.000 1.212 9 G CA 1.081 46.106 45.100 -0.125 0.000 0.874 9 G HN 1.776 10.066 8.290 -0.000 0.000 0.561 10 G N -1.349 107.375 108.800 -0.127 0.000 2.351 10 G HA2 0.463 4.422 3.960 -0.001 0.000 0.279 10 G HA3 0.463 4.422 3.960 -0.001 0.000 0.279 10 G C -1.824 173.024 174.900 -0.086 0.000 1.297 10 G CA -0.402 44.628 45.100 -0.117 0.000 0.886 10 G HN 1.233 9.523 8.290 -0.000 0.000 0.493 11 L N 0.323 121.517 121.223 -0.048 0.000 2.309 11 L HA 0.870 5.210 4.340 -0.001 0.000 0.282 11 L C -0.401 176.474 176.870 0.009 0.000 1.036 11 L CA -0.741 54.106 54.840 0.012 0.000 0.806 11 L CB 1.587 43.702 42.059 0.093 0.000 1.220 11 L HN 0.643 8.873 8.230 -0.000 0.000 0.429 12 V N 3.751 123.676 119.914 0.017 0.000 2.888 12 V HA 0.450 4.570 4.120 -0.001 0.000 0.309 12 V C -0.470 175.641 176.094 0.029 0.000 1.114 12 V CA -0.834 61.468 62.300 0.002 0.000 0.940 12 V CB 1.917 33.716 31.823 -0.040 0.000 1.021 12 V HN 0.736 8.926 8.190 -0.000 0.000 0.426 13 Q N 4.001 123.814 119.800 0.022 0.000 2.417 13 Q HA 0.375 4.714 4.340 -0.001 0.000 0.241 13 Q C -2.447 173.566 176.000 0.022 0.000 1.008 13 Q CA -1.363 54.457 55.803 0.028 0.000 0.901 13 Q CB 0.414 29.163 28.738 0.017 0.000 1.259 13 Q HN 0.428 8.698 8.270 -0.000 0.000 0.489 14 P HA 0.054 4.474 4.420 -0.000 0.000 0.265 14 P C 0.254 177.564 177.300 0.016 0.000 1.193 14 P CA 0.869 63.985 63.100 0.027 0.000 0.765 14 P CB 0.541 32.258 31.700 0.027 0.000 0.823 15 G N 1.366 110.176 108.800 0.017 0.000 2.176 15 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.253 15 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.253 15 G C 0.551 175.449 174.900 -0.003 0.000 0.979 15 G CA -0.069 45.036 45.100 0.008 0.000 0.641 15 G HN 0.896 9.186 8.290 -0.000 0.000 0.530 16 G N -0.677 108.119 108.800 -0.008 0.000 2.543 16 G HA2 0.682 4.642 3.960 -0.001 0.000 0.290 16 G HA3 0.682 4.642 3.960 -0.001 0.000 0.290 16 G C -0.023 174.848 174.900 -0.047 0.000 1.310 16 G CA 0.634 45.718 45.100 -0.026 0.000 1.025 16 G HN 0.910 9.200 8.290 -0.000 0.000 0.502 17 S N -1.255 114.402 115.700 -0.072 0.000 2.667 17 S HA 0.801 5.271 4.470 -0.001 0.000 0.292 17 S C -0.576 173.938 174.600 -0.144 0.000 1.126 17 S CA -0.498 57.634 58.200 -0.114 0.000 0.881 17 S CB 1.844 64.982 63.200 -0.104 0.000 1.132 17 S HN 0.730 9.040 8.310 -0.000 0.000 0.492 18 M N 1.712 121.189 119.600 -0.205 0.000 2.484 18 M HA 0.338 4.818 4.480 -0.001 0.000 0.292 18 M C -2.380 173.749 176.300 -0.285 0.000 1.123 18 M CA -0.343 54.826 55.300 -0.219 0.000 0.910 18 M CB 1.645 34.111 32.600 -0.223 0.000 1.782 18 M HN 0.602 8.892 8.290 -0.000 0.000 0.512 19 K N 4.197 124.454 120.400 -0.237 0.000 2.274 19 K HA 0.715 5.034 4.320 -0.001 0.000 0.262 19 K C -1.756 174.713 176.600 -0.219 0.000 0.961 19 K CA -0.578 55.562 56.287 -0.246 0.000 0.833 19 K CB 1.284 33.673 32.500 -0.184 0.000 1.102 19 K HN 0.719 8.969 8.250 -0.000 0.000 0.436 20 L N 2.262 123.304 121.223 -0.302 0.000 2.343 20 L HA 0.431 4.771 4.340 -0.001 0.000 0.275 20 L C -0.153 176.744 176.870 0.045 0.000 1.056 20 L CA -0.714 53.983 54.840 -0.239 0.000 0.804 20 L CB 1.893 43.595 42.059 -0.596 0.000 1.203 20 L HN 0.627 8.857 8.230 -0.000 0.000 0.440 21 S N 0.552 116.387 115.700 0.224 0.000 2.566 21 S HA 0.592 5.062 4.470 -0.001 0.000 0.298 21 S C -1.211 173.592 174.600 0.337 0.000 1.083 21 S CA -0.582 57.837 58.200 0.364 0.000 0.978 21 S CB 2.182 65.577 63.200 0.326 0.000 1.073 21 S HN 0.721 9.031 8.310 -0.000 0.000 0.491 22 c N 2.836 121.534 118.600 0.164 0.000 2.608 22 c HA 0.794 5.364 4.570 -0.001 0.000 0.325 22 c C -1.345 172.683 174.090 -0.104 0.000 1.147 22 c CA -0.200 56.155 56.329 0.044 0.000 1.359 22 c CB -0.177 42.284 42.510 -0.082 0.000 1.912 22 c HN 0.673 8.903 8.230 -0.000 0.000 0.466 23 V N 5.243 125.110 119.914 -0.079 0.000 2.555 23 V HA 0.902 5.022 4.120 -0.001 0.000 0.302 23 V C 0.525 176.561 176.094 -0.096 0.000 1.038 23 V CA -0.006 62.202 62.300 -0.153 0.000 0.887 23 V CB 1.477 33.232 31.823 -0.113 0.000 0.991 23 V HN 1.233 9.423 8.190 -0.000 0.000 0.434 24 A N 3.430 126.155 122.820 -0.159 0.000 2.386 24 A HA 1.051 5.370 4.320 -0.001 0.000 0.308 24 A C -0.227 177.253 177.584 -0.173 0.000 1.128 24 A CA -0.204 51.818 52.037 -0.025 0.000 0.789 24 A CB 2.042 21.188 19.000 0.244 0.000 1.325 24 A HN 1.346 9.496 8.150 -0.000 0.000 0.437 25 S N -1.504 114.138 115.700 -0.095 0.000 2.588 25 S HA 0.684 5.153 4.470 -0.001 0.000 0.269 25 S C 0.250 174.843 174.600 -0.011 0.000 1.157 25 S CA 0.220 58.334 58.200 -0.144 0.000 0.824 25 S CB 0.957 64.109 63.200 -0.080 0.000 1.126 25 S HN 2.702 11.012 8.310 -0.000 0.000 0.464 26 G N 0.125 108.914 108.800 -0.018 0.000 2.157 26 G HA2 0.049 4.009 3.960 -0.001 0.000 0.239 26 G HA3 0.049 4.009 3.960 -0.001 0.000 0.239 26 G C -0.239 174.802 174.900 0.234 0.000 0.982 26 G CA 0.483 45.634 45.100 0.085 0.000 0.650 26 G HN 2.100 10.390 8.290 -0.000 0.000 0.527 27 F N -2.614 117.335 119.950 -0.002 0.000 2.770 27 F HA 0.666 5.193 4.527 -0.000 0.000 0.313 27 F C -0.277 175.612 175.800 0.150 0.000 1.154 27 F CA -0.972 57.061 58.000 0.055 0.000 0.923 27 F CB 0.382 39.371 39.000 -0.018 0.000 1.301 27 F HN 0.028 8.328 8.300 -0.000 0.000 0.449 28 T N 3.455 118.191 114.554 0.302 0.000 2.848 28 T HA 0.088 4.438 4.350 -0.001 0.000 0.283 28 T C 0.779 175.662 174.700 0.305 0.000 0.919 28 T CA 0.109 62.330 62.100 0.202 0.000 1.071 28 T CB -0.414 68.570 68.868 0.193 0.000 0.912 28 T HN 0.584 8.824 8.240 -0.000 0.000 0.570 29 F N 3.727 123.600 119.950 -0.129 0.000 2.087 29 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 29 F C 2.567 178.499 175.800 0.221 0.000 1.100 29 F CA 2.229 60.201 58.000 -0.048 0.000 1.226 29 F CB -0.426 38.461 39.000 -0.188 0.000 0.983 29 F HN 0.594 8.894 8.300 -0.000 0.000 0.479 30 S N -0.374 115.469 115.700 0.238 0.000 2.469 30 S HA -0.173 4.296 4.470 -0.001 0.000 0.238 30 S C 1.459 176.098 174.600 0.066 0.000 0.998 30 S CA 1.196 59.489 58.200 0.155 0.000 0.957 30 S CB -0.693 62.612 63.200 0.175 0.000 0.764 30 S HN 0.475 8.785 8.310 -0.000 0.000 0.514 31 N N 0.393 119.115 118.700 0.036 0.000 2.398 31 N HA 0.208 4.947 4.740 -0.001 0.000 0.188 31 N C -0.965 174.279 175.510 -0.443 0.000 1.122 31 N CA 0.319 53.245 53.050 -0.208 0.000 0.866 31 N CB 0.020 38.297 38.487 -0.350 0.000 0.970 31 N HN 0.536 8.916 8.380 -0.000 0.000 0.462 32 Y N -1.261 119.060 120.300 0.035 0.000 2.499 32 Y HA 0.337 4.887 4.550 -0.001 0.000 0.347 32 Y C -0.085 175.875 175.900 0.099 0.000 0.987 32 Y CA -1.319 56.792 58.100 0.018 0.000 1.044 32 Y CB 0.765 39.222 38.460 -0.005 0.000 1.245 32 Y HN -0.121 8.159 8.280 -0.000 0.000 0.461 33 W N 2.969 124.312 121.300 0.071 0.000 2.126 33 W HA 0.437 5.096 4.660 -0.001 0.000 0.346 33 W C -0.424 176.082 176.519 -0.022 0.000 1.279 33 W CA -1.133 56.223 57.345 0.020 0.000 1.259 33 W CB 0.260 29.736 29.460 0.027 0.000 1.133 33 W HN 0.183 8.363 8.180 -0.000 0.000 0.592 34 M N 1.829 121.542 119.600 0.187 0.000 2.530 34 M HA 0.340 4.819 4.480 -0.001 0.000 0.307 34 M C -0.292 176.045 176.300 0.062 0.000 1.161 34 M CA -0.894 54.434 55.300 0.046 0.000 0.903 34 M CB 2.117 34.709 32.600 -0.013 0.000 1.711 34 M HN 0.350 8.640 8.290 -0.000 0.000 0.451 35 E N 0.997 121.161 120.200 -0.059 0.000 2.369 35 E HA 0.511 4.861 4.350 -0.001 0.000 0.270 35 E C -1.700 174.783 176.600 -0.196 0.000 0.909 35 E CA -0.376 56.035 56.400 0.019 0.000 0.775 35 E CB 2.503 32.264 29.700 0.101 0.000 1.270 35 E HN 0.625 8.985 8.360 -0.000 0.000 0.445 36 W N 0.735 122.053 121.300 0.030 0.000 2.600 36 W HA 0.495 5.154 4.660 -0.001 0.000 0.325 36 W C -0.713 175.788 176.519 -0.029 0.000 1.034 36 W CA -0.516 56.843 57.345 0.023 0.000 1.226 36 W CB 1.727 31.239 29.460 0.088 0.000 1.379 36 W HN 0.098 8.278 8.180 -0.000 0.000 0.466 37 V N 4.266 124.316 119.914 0.227 0.000 2.735 37 V HA 0.621 4.740 4.120 -0.001 0.000 0.310 37 V C -0.233 175.971 176.094 0.184 0.000 1.061 37 V CA -1.348 61.056 62.300 0.174 0.000 0.913 37 V CB 1.896 33.799 31.823 0.132 0.000 1.005 37 V HN 0.571 8.761 8.190 -0.000 0.000 0.428 38 R N 2.865 123.372 120.500 0.011 0.000 2.803 38 R HA 0.804 5.144 4.340 -0.001 0.000 0.276 38 R C -1.011 175.305 176.300 0.027 0.000 0.978 38 R CA -0.885 55.080 56.100 -0.224 0.000 0.939 38 R CB 2.329 32.121 30.300 -0.847 0.000 1.179 38 R HN 0.677 8.947 8.270 -0.000 0.000 0.472 39 Q N 1.767 121.602 119.800 0.059 0.000 2.321 39 Q HA 0.364 4.704 4.340 -0.001 0.000 0.270 39 Q C -1.561 174.489 176.000 0.083 0.000 1.032 39 Q CA -0.583 55.311 55.803 0.152 0.000 0.784 39 Q CB 2.066 31.008 28.738 0.340 0.000 1.264 39 Q HN 0.886 9.156 8.270 -0.000 0.000 0.448 40 S N 2.489 118.235 115.700 0.076 0.000 2.548 40 S HA 0.584 5.054 4.470 -0.001 0.000 0.286 40 S C -2.213 172.430 174.600 0.073 0.000 1.098 40 S CA -1.203 57.040 58.200 0.071 0.000 0.930 40 S CB 1.807 65.044 63.200 0.062 0.000 1.070 40 S HN 0.632 8.942 8.310 -0.000 0.000 0.480 41 P HA 0.087 4.507 4.420 -0.000 0.000 0.239 41 P C 0.052 177.387 177.300 0.058 0.000 1.184 41 P CA 0.827 63.967 63.100 0.067 0.000 0.760 41 P CB 0.108 31.851 31.700 0.071 0.000 0.884 42 E N -0.652 119.582 120.200 0.057 0.000 2.508 42 E HA 0.135 4.484 4.350 -0.001 0.000 0.217 42 E C 1.307 177.936 176.600 0.047 0.000 0.896 42 E CA 0.442 56.871 56.400 0.050 0.000 1.118 42 E CB 0.411 30.141 29.700 0.049 0.000 1.133 42 E HN 0.212 8.572 8.360 -0.000 0.000 0.526 43 K N -0.497 119.934 120.400 0.052 0.000 2.481 43 K HA 0.359 4.679 4.320 -0.001 0.000 0.210 43 K C 0.690 177.327 176.600 0.061 0.000 1.161 43 K CA 0.302 56.621 56.287 0.052 0.000 1.023 43 K CB 1.815 34.345 32.500 0.050 0.000 0.971 43 K HN 0.168 8.418 8.250 -0.000 0.000 0.577 44 G N 2.275 111.114 108.800 0.065 0.000 2.569 44 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.259 44 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.259 44 G C -0.378 174.580 174.900 0.096 0.000 1.263 44 G CA -0.562 44.582 45.100 0.074 0.000 0.928 44 G HN 0.101 8.391 8.290 -0.000 0.000 0.572 45 L N 1.092 122.382 121.223 0.112 0.000 2.380 45 L HA 0.546 4.885 4.340 -0.001 0.000 0.273 45 L C 0.633 177.597 176.870 0.157 0.000 1.138 45 L CA 0.183 55.120 54.840 0.162 0.000 0.832 45 L CB 1.165 43.335 42.059 0.185 0.000 1.124 45 L HN 0.758 8.988 8.230 -0.000 0.000 0.454 46 E N 3.021 123.319 120.200 0.163 0.000 2.274 46 E HA 0.115 4.465 4.350 -0.001 0.000 0.269 46 E C -1.484 175.232 176.600 0.192 0.000 0.891 46 E CA -0.826 55.669 56.400 0.159 0.000 0.784 46 E CB 1.195 30.948 29.700 0.088 0.000 1.225 46 E HN 0.458 8.818 8.360 -0.000 0.000 0.412 47 W N 5.932 127.282 121.300 0.083 0.000 2.251 47 W HA 0.177 4.837 4.660 -0.000 0.000 0.327 47 W C -0.429 176.150 176.519 0.100 0.000 1.361 47 W CA 0.093 57.490 57.345 0.086 0.000 1.234 47 W CB 0.895 30.398 29.460 0.071 0.000 1.212 47 W HN 0.406 8.586 8.180 -0.000 0.000 0.557 48 V N 4.747 124.239 119.914 -0.702 0.000 2.743 48 V HA 0.479 4.598 4.120 -0.001 0.000 0.237 48 V C 0.759 176.265 176.094 -0.979 0.000 1.113 48 V CA 0.872 62.802 62.300 -0.617 0.000 1.141 48 V CB -0.668 31.113 31.823 -0.070 0.000 0.873 48 V HN 0.730 8.920 8.190 -0.000 0.000 0.486 49 A N -0.245 122.056 122.820 -0.865 0.000 2.612 49 A HA 0.757 5.077 4.320 -0.001 0.000 0.293 49 A C -1.255 176.326 177.584 -0.004 0.000 1.075 49 A CA -0.393 51.327 52.037 -0.529 0.000 0.680 49 A CB 2.002 20.888 19.000 -0.190 0.000 1.279 49 A HN 0.224 8.374 8.150 -0.000 0.000 0.411 50 E N 0.759 121.039 120.200 0.132 0.000 2.331 50 E HA 0.726 5.076 4.350 -0.001 0.000 0.275 50 E C -1.775 174.854 176.600 0.047 0.000 0.895 50 E CA -0.489 56.067 56.400 0.259 0.000 0.753 50 E CB 1.979 31.943 29.700 0.440 0.000 1.216 50 E HN 0.766 9.126 8.360 -0.000 0.000 0.434 51 I N 2.027 122.620 120.570 0.039 0.000 3.145 51 I HA 0.211 4.381 4.170 -0.001 0.000 0.313 51 I C 0.798 176.869 176.117 -0.077 0.000 1.122 51 I CA 0.095 61.394 61.300 -0.002 0.000 0.987 51 I CB 1.879 39.932 38.000 0.088 0.000 1.236 51 I HN 0.917 9.127 8.210 -0.000 0.000 0.453 52 S N 1.497 117.063 115.700 -0.223 0.000 2.505 52 S HA -0.379 4.091 4.470 -0.001 0.000 0.314 52 S C 0.603 175.139 174.600 -0.106 0.000 1.350 52 S CA 2.526 60.653 58.200 -0.123 0.000 1.202 52 S CB -1.970 61.194 63.200 -0.060 0.000 1.415 52 S HN 0.869 9.179 8.310 -0.000 0.000 0.794 53 N N 1.849 120.466 118.700 -0.139 0.000 2.230 53 N HA 0.287 5.026 4.740 -0.001 0.000 0.202 53 N C 0.354 175.796 175.510 -0.114 0.000 1.119 53 N CA 0.389 53.385 53.050 -0.089 0.000 0.851 53 N CB 0.015 38.463 38.487 -0.065 0.000 0.990 53 N HN 0.697 9.077 8.380 -0.000 0.000 0.497 54 N N 0.753 119.334 118.700 -0.199 0.000 2.747 54 N HA -0.277 4.462 4.740 -0.001 0.000 0.249 54 N C -1.051 174.439 175.510 -0.033 0.000 1.107 54 N CA -0.036 52.928 53.050 -0.143 0.000 0.707 54 N CB -0.886 37.581 38.487 -0.033 0.000 1.054 54 N HN 0.305 8.685 8.380 -0.000 0.000 0.555 55 Y N -3.739 116.564 120.300 0.004 0.000 3.305 55 Y HA -0.287 4.262 4.550 -0.001 0.000 0.212 55 Y C 0.973 176.849 175.900 -0.040 0.000 1.248 55 Y CA 0.651 58.749 58.100 -0.003 0.000 1.359 55 Y CB -2.286 36.194 38.460 0.032 0.000 1.407 55 Y HN 0.440 8.720 8.280 -0.000 0.000 0.572 56 A N 0.662 123.490 122.820 0.014 0.000 2.565 56 A HA 0.446 4.765 4.320 -0.001 0.000 0.237 56 A C 0.928 178.436 177.584 -0.127 0.000 1.053 56 A CA 0.782 52.778 52.037 -0.069 0.000 0.755 56 A CB 0.128 19.080 19.000 -0.079 0.000 0.980 56 A HN 0.713 8.863 8.150 -0.000 0.000 0.506 57 T N 0.270 114.686 114.554 -0.230 0.000 2.924 57 T HA 0.758 5.107 4.350 -0.001 0.000 0.291 57 T C -0.741 173.619 174.700 -0.567 0.000 1.045 57 T CA -0.701 61.237 62.100 -0.269 0.000 1.015 57 T CB 1.321 70.098 68.868 -0.152 0.000 1.103 57 T HN 0.727 8.967 8.240 -0.000 0.000 0.496 58 H N -0.554 118.389 119.070 -0.213 0.000 2.894 58 H HA 0.597 5.153 4.556 -0.000 0.000 0.367 58 H C -1.571 173.662 175.328 -0.158 0.000 1.144 58 H CA -0.508 55.545 56.048 0.009 0.000 1.180 58 H CB 1.462 31.328 29.762 0.174 0.000 1.758 58 H HN 0.657 8.937 8.280 -0.000 0.000 0.541 59 Y N 0.061 120.517 120.300 0.259 0.000 2.536 59 Y HA 0.626 5.176 4.550 -0.001 0.000 0.347 59 Y C 0.185 176.058 175.900 -0.044 0.000 1.000 59 Y CA -1.278 56.794 58.100 -0.047 0.000 1.051 59 Y CB 1.569 39.996 38.460 -0.055 0.000 1.259 59 Y HN 0.788 9.068 8.280 -0.000 0.000 0.468 60 A N 1.118 123.798 122.820 -0.232 0.000 2.462 60 A HA 0.167 4.486 4.320 -0.001 0.000 0.243 60 A C 1.291 178.902 177.584 0.045 0.000 1.076 60 A CA -0.234 51.797 52.037 -0.010 0.000 0.773 60 A CB 0.314 19.219 19.000 -0.158 0.000 1.010 60 A HN 0.935 9.085 8.150 -0.000 0.000 0.493 61 E N 1.436 121.696 120.200 0.100 0.000 2.171 61 E HA -0.195 4.154 4.350 -0.001 0.000 0.197 61 E C 2.132 178.718 176.600 -0.024 0.000 0.997 61 E CA 2.223 58.653 56.400 0.050 0.000 0.810 61 E CB -0.205 29.534 29.700 0.064 0.000 0.738 61 E HN 0.828 9.188 8.360 -0.000 0.000 0.467 62 S N -1.031 114.639 115.700 -0.050 0.000 2.447 62 S HA -0.124 4.346 4.470 -0.001 0.000 0.233 62 S C 1.769 176.234 174.600 -0.226 0.000 1.006 62 S CA 1.028 59.164 58.200 -0.106 0.000 0.957 62 S CB -0.164 62.983 63.200 -0.089 0.000 0.773 62 S HN 0.250 8.560 8.310 -0.000 0.000 0.507 63 V N -3.669 116.063 119.914 -0.304 0.000 3.477 63 V HA 0.426 4.546 4.120 -0.001 0.000 0.297 63 V C 0.234 176.120 176.094 -0.348 0.000 1.433 63 V CA -0.720 61.246 62.300 -0.556 0.000 1.052 63 V CB -0.392 30.836 31.823 -0.991 0.000 0.895 63 V HN 0.022 8.212 8.190 -0.000 0.000 0.438 64 K N 2.250 122.530 120.400 -0.200 0.000 2.504 64 K HA 0.205 4.525 4.320 -0.001 0.000 0.278 64 K C 1.462 177.943 176.600 -0.197 0.000 1.025 64 K CA 1.366 57.543 56.287 -0.183 0.000 1.093 64 K CB 0.263 32.720 32.500 -0.073 0.000 0.873 64 K HN 0.940 9.190 8.250 -0.000 0.000 0.483 65 G N 3.519 112.162 108.800 -0.262 0.000 2.184 65 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.264 65 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.264 65 G C 0.968 175.797 174.900 -0.118 0.000 0.975 65 G CA 0.677 45.672 45.100 -0.175 0.000 0.642 65 G HN 0.658 8.948 8.290 -0.000 0.000 0.536 66 R N -1.609 118.835 120.500 -0.094 0.000 2.310 66 R HA 0.367 4.707 4.340 -0.001 0.000 0.199 66 R C 0.136 176.610 176.300 0.291 0.000 0.891 66 R CA 0.148 56.290 56.100 0.070 0.000 1.060 66 R CB 0.426 30.775 30.300 0.080 0.000 1.188 66 R HN 0.252 8.522 8.270 -0.000 0.000 0.607 67 F N 0.905 120.745 119.950 -0.184 0.000 2.458 67 F HA 0.436 4.963 4.527 -0.000 0.000 0.330 67 F C 0.176 175.882 175.800 -0.158 0.000 1.082 67 F CA -0.984 56.942 58.000 -0.124 0.000 0.995 67 F CB 2.021 41.010 39.000 -0.019 0.000 1.170 67 F HN -0.306 7.994 8.300 -0.000 0.000 0.478 68 T N 4.244 118.894 114.554 0.160 0.000 2.928 68 T HA 0.487 4.836 4.350 -0.001 0.000 0.296 68 T C -0.791 174.066 174.700 0.263 0.000 1.000 68 T CA -0.412 61.822 62.100 0.223 0.000 0.989 68 T CB 1.491 70.400 68.868 0.068 0.000 1.005 68 T HN 0.507 8.747 8.240 -0.000 0.000 0.442 69 I N 3.554 124.354 120.570 0.383 0.000 2.412 69 I HA 0.717 4.887 4.170 -0.001 0.000 0.296 69 I C -0.219 176.026 176.117 0.213 0.000 0.987 69 I CA -0.107 61.340 61.300 0.244 0.000 1.180 69 I CB 0.948 39.060 38.000 0.187 0.000 1.340 69 I HN 0.804 9.014 8.210 -0.000 0.000 0.455 70 S N 6.948 122.792 115.700 0.240 0.000 2.638 70 S HA 0.769 5.238 4.470 -0.001 0.000 0.274 70 S C -0.965 173.782 174.600 0.245 0.000 1.157 70 S CA -1.032 57.285 58.200 0.195 0.000 0.826 70 S CB 2.190 65.495 63.200 0.174 0.000 1.139 70 S HN 0.878 9.188 8.310 -0.000 0.000 0.474 71 R N -0.216 120.364 120.500 0.133 0.000 2.774 71 R HA 0.743 5.083 4.340 -0.001 0.000 0.272 71 R C -2.250 174.108 176.300 0.098 0.000 1.000 71 R CA -0.736 55.454 56.100 0.149 0.000 0.906 71 R CB 1.511 31.937 30.300 0.210 0.000 1.227 71 R HN 0.581 8.851 8.270 -0.000 0.000 0.468 72 D N 0.786 121.268 120.400 0.135 0.000 2.389 72 D HA 0.178 4.818 4.640 -0.001 0.000 0.256 72 D C -0.391 175.952 176.300 0.071 0.000 1.239 72 D CA -0.424 53.635 54.000 0.099 0.000 0.925 72 D CB 1.385 42.282 40.800 0.162 0.000 1.145 72 D HN 0.503 8.873 8.370 -0.000 0.000 0.542 73 D N 0.865 121.376 120.400 0.186 0.000 2.149 73 D HA -0.175 4.465 4.640 -0.001 0.000 0.198 73 D C 1.974 178.326 176.300 0.086 0.000 0.990 73 D CA 1.329 55.495 54.000 0.277 0.000 0.839 73 D CB 0.047 41.042 40.800 0.325 0.000 0.948 73 D HN 0.511 8.881 8.370 -0.000 0.000 0.460 74 S N -0.013 115.718 115.700 0.052 0.000 2.442 74 S HA -0.103 4.367 4.470 -0.001 0.000 0.236 74 S C 1.420 175.990 174.600 -0.049 0.000 1.007 74 S CA 0.774 58.982 58.200 0.012 0.000 0.965 74 S CB -0.095 63.120 63.200 0.024 0.000 0.773 74 S HN 0.208 8.518 8.310 -0.000 0.000 0.504 75 K N 0.724 121.065 120.400 -0.099 0.000 2.438 75 K HA 0.323 4.642 4.320 -0.001 0.000 0.205 75 K C -0.196 176.192 176.600 -0.355 0.000 1.033 75 K CA 0.172 56.366 56.287 -0.155 0.000 1.089 75 K CB 0.533 32.989 32.500 -0.074 0.000 0.857 75 K HN 0.248 8.498 8.250 -0.000 0.000 0.522 76 S N 1.365 116.733 115.700 -0.553 0.000 3.559 76 S HA -0.137 4.332 4.470 -0.001 0.000 0.369 76 S C -0.335 173.320 174.600 -1.574 0.000 0.987 76 S CA 0.635 58.057 58.200 -1.295 0.000 1.187 76 S CB -1.186 61.572 63.200 -0.737 0.000 0.914 76 S HN 0.347 8.657 8.310 -0.000 0.000 0.480 77 S N -0.282 114.709 115.700 -1.182 0.000 2.568 77 S HA 0.797 5.267 4.470 -0.001 0.000 0.293 77 S C -0.376 173.916 174.600 -0.513 0.000 1.089 77 S CA -0.660 57.082 58.200 -0.765 0.000 0.945 77 S CB 2.473 65.321 63.200 -0.586 0.000 1.077 77 S HN 0.438 8.748 8.310 -0.000 0.000 0.485 78 V N 2.544 122.219 119.914 -0.398 0.000 2.876 78 V HA 0.765 4.885 4.120 -0.001 0.000 0.312 78 V C -2.170 173.802 176.094 -0.204 0.000 1.085 78 V CA -0.443 61.788 62.300 -0.114 0.000 0.945 78 V CB 1.584 33.528 31.823 0.201 0.000 1.017 78 V HN 0.889 9.079 8.190 -0.000 0.000 0.428 79 Y N 4.865 125.399 120.300 0.389 0.000 2.605 79 Y HA 0.795 5.345 4.550 -0.001 0.000 0.343 79 Y C -0.625 175.342 175.900 0.110 0.000 1.036 79 Y CA -1.117 57.141 58.100 0.263 0.000 1.065 79 Y CB 2.071 40.580 38.460 0.082 0.000 1.288 79 Y HN 0.555 8.835 8.280 -0.000 0.000 0.481 80 L N 2.414 123.564 121.223 -0.121 0.000 2.457 80 L HA 0.489 4.829 4.340 -0.001 0.000 0.266 80 L C -0.991 175.632 176.870 -0.411 0.000 0.979 80 L CA -0.536 54.027 54.840 -0.460 0.000 0.857 80 L CB 1.286 42.597 42.059 -1.246 0.000 1.213 80 L HN 0.684 8.914 8.230 -0.000 0.000 0.418 81 Q N 4.001 123.648 119.800 -0.254 0.000 2.259 81 Q HA 0.858 5.198 4.340 -0.001 0.000 0.246 81 Q C -1.718 174.038 176.000 -0.408 0.000 0.920 81 Q CA 0.026 55.667 55.803 -0.271 0.000 0.895 81 Q CB 1.306 29.956 28.738 -0.146 0.000 1.220 81 Q HN 0.715 8.985 8.270 -0.000 0.000 0.439 82 L N 2.435 123.699 121.223 0.070 0.000 2.731 82 L HA 0.534 4.874 4.340 -0.001 0.000 0.256 82 L C -0.998 175.919 176.870 0.078 0.000 0.947 82 L CA -0.668 54.234 54.840 0.103 0.000 0.914 82 L CB 2.208 44.295 42.059 0.046 0.000 1.470 82 L HN 0.670 8.900 8.230 -0.000 0.000 0.421 83 R N 0.526 121.084 120.500 0.095 0.000 2.854 83 R HA 0.655 4.995 4.340 -0.001 0.000 0.271 83 R C 0.620 176.968 176.300 0.080 0.000 0.994 83 R CA -0.326 55.815 56.100 0.068 0.000 0.945 83 R CB 1.880 32.209 30.300 0.049 0.000 1.194 83 R HN 0.761 9.031 8.270 -0.000 0.000 0.476 84 A N 1.426 124.286 122.820 0.068 0.000 1.958 84 A HA -0.254 4.066 4.320 -0.001 0.000 0.221 84 A C 1.416 179.052 177.584 0.086 0.000 1.178 84 A CA 1.940 54.023 52.037 0.077 0.000 0.642 84 A CB -0.435 18.604 19.000 0.065 0.000 0.816 84 A HN 0.804 8.954 8.150 -0.000 0.000 0.453 85 E N 0.611 120.855 120.200 0.073 0.000 2.333 85 E HA -0.104 4.246 4.350 -0.001 0.000 0.198 85 E C 0.900 177.561 176.600 0.101 0.000 1.007 85 E CA 1.052 57.495 56.400 0.071 0.000 0.845 85 E CB -0.189 29.537 29.700 0.044 0.000 0.766 85 E HN 0.594 8.954 8.360 -0.000 0.000 0.507 86 D N 0.326 120.812 120.400 0.142 0.000 2.349 86 D HA -0.018 4.622 4.640 -0.001 0.000 0.224 86 D C -0.022 176.453 176.300 0.292 0.000 1.029 86 D CA 0.435 54.585 54.000 0.250 0.000 0.879 86 D CB -0.048 40.949 40.800 0.329 0.000 0.906 86 D HN 0.060 8.430 8.370 -0.000 0.000 0.528 87 T N 0.774 115.443 114.554 0.192 0.000 2.928 87 T HA 0.446 4.796 4.350 -0.001 0.000 0.305 87 T C 0.654 175.466 174.700 0.187 0.000 1.035 87 T CA 0.239 62.445 62.100 0.177 0.000 1.145 87 T CB 1.297 70.239 68.868 0.123 0.000 0.963 87 T HN 0.265 8.505 8.240 -0.000 0.000 0.545 88 G N 1.832 110.762 108.800 0.217 0.000 2.320 88 G HA2 0.334 4.294 3.960 -0.001 0.000 0.297 88 G HA3 0.334 4.294 3.960 -0.001 0.000 0.297 88 G C -1.554 173.450 174.900 0.175 0.000 1.344 88 G CA -1.111 44.072 45.100 0.140 0.000 0.851 88 G HN 0.707 8.997 8.290 -0.000 0.000 0.567 89 I N 0.777 121.373 120.570 0.043 0.000 2.342 89 I HA 0.316 4.486 4.170 -0.001 0.000 0.291 89 I C -0.725 175.299 176.117 -0.155 0.000 1.010 89 I CA -0.553 60.719 61.300 -0.047 0.000 1.308 89 I CB 0.967 38.859 38.000 -0.179 0.000 1.400 89 I HN 0.329 8.539 8.210 -0.000 0.000 0.488 90 Y N 6.190 126.398 120.300 -0.153 0.000 2.341 90 Y HA 0.369 4.919 4.550 -0.000 0.000 0.340 90 Y C -0.436 175.502 175.900 0.063 0.000 0.997 90 Y CA -0.462 57.670 58.100 0.054 0.000 1.149 90 Y CB 0.572 39.112 38.460 0.133 0.000 1.171 90 Y HN 0.321 8.601 8.280 -0.000 0.000 0.494 91 Y N 1.684 122.225 120.300 0.402 0.000 2.360 91 Y HA 0.436 4.986 4.550 -0.000 0.000 0.337 91 Y C 0.117 175.976 175.900 -0.068 0.000 1.039 91 Y CA -1.065 57.177 58.100 0.236 0.000 1.109 91 Y CB 1.367 40.011 38.460 0.305 0.000 1.201 91 Y HN 0.612 8.892 8.280 -0.000 0.000 0.458 92 c N 3.848 122.316 118.600 -0.219 0.000 2.319 92 c HA 0.859 5.428 4.570 -0.001 0.000 0.335 92 c C 0.001 173.813 174.090 -0.463 0.000 1.274 92 c CA -0.049 55.802 56.329 -0.796 0.000 1.806 92 c CB -0.969 40.985 42.510 -0.926 0.000 2.329 92 c HN 0.947 9.177 8.230 -0.000 0.000 0.524 93 T N 3.383 117.612 114.554 -0.542 0.000 2.903 93 T HA 0.508 4.857 4.350 -0.001 0.000 0.299 93 T C -0.833 173.682 174.700 -0.308 0.000 1.093 93 T CA -0.721 61.056 62.100 -0.537 0.000 1.002 93 T CB 1.203 69.429 68.868 -1.071 0.000 1.127 93 T HN 0.957 9.197 8.240 -0.000 0.000 0.488 94 R N 0.582 120.946 120.500 -0.227 0.000 2.297 94 R HA 0.572 4.912 4.340 -0.001 0.000 0.308 94 R C 0.504 176.717 176.300 -0.144 0.000 1.029 94 R CA -0.517 55.477 56.100 -0.178 0.000 0.929 94 R CB 0.577 30.668 30.300 -0.348 0.000 1.046 94 R HN 0.966 9.236 8.270 -0.000 0.000 0.461 95 G N 2.526 111.310 108.800 -0.026 0.000 2.394 95 G HA2 0.282 4.241 3.960 -0.001 0.000 0.298 95 G HA3 0.282 4.241 3.960 -0.001 0.000 0.298 95 G C 0.161 175.018 174.900 -0.071 0.000 1.087 95 G CA -0.397 44.695 45.100 -0.013 0.000 1.035 95 G HN 0.747 9.037 8.290 -0.000 0.000 0.420 96 G N 0.811 109.540 108.800 -0.118 0.000 2.569 96 G HA2 0.463 4.423 3.960 -0.001 0.000 0.249 96 G HA3 0.463 4.423 3.960 -0.001 0.000 0.249 96 G C 1.164 176.014 174.900 -0.084 0.000 1.216 96 G CA 0.230 45.274 45.100 -0.093 0.000 0.845 96 G HN 0.904 9.194 8.290 -0.000 0.000 0.568 97 A N 0.329 123.159 122.820 0.016 0.000 2.119 97 A HA 0.042 4.361 4.320 -0.001 0.000 0.217 97 A C 2.354 179.882 177.584 -0.093 0.000 1.153 97 A CA 1.779 53.783 52.037 -0.055 0.000 0.692 97 A CB -0.404 18.604 19.000 0.014 0.000 0.799 97 A HN 1.329 9.479 8.150 -0.000 0.000 0.458 98 V N -3.504 116.361 119.914 -0.082 0.000 3.380 98 V HA 0.411 4.531 4.120 -0.001 0.000 0.268 98 V C 1.272 177.304 176.094 -0.104 0.000 1.168 98 V CA 0.692 62.941 62.300 -0.085 0.000 1.156 98 V CB -1.143 30.631 31.823 -0.081 0.000 0.785 98 V HN 1.482 9.672 8.190 -0.000 0.000 0.487 99 G N 0.369 109.088 108.800 -0.135 0.000 2.288 99 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.205 99 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.205 99 G C -0.316 174.514 174.900 -0.117 0.000 1.071 99 G CA 0.035 45.048 45.100 -0.146 0.000 0.788 99 G HN 0.477 8.767 8.290 -0.000 0.000 0.491 100 M N 1.602 121.205 119.600 0.005 0.000 2.080 100 M HA 0.293 4.772 4.480 -0.001 0.000 0.350 100 M C 1.059 177.403 176.300 0.072 0.000 1.143 100 M CA -0.431 54.855 55.300 -0.022 0.000 1.064 100 M CB 0.853 33.406 32.600 -0.079 0.000 1.429 100 M HN 0.307 8.597 8.290 -0.000 0.000 0.418 101 D N 1.422 121.772 120.400 -0.082 0.000 2.271 101 D HA -0.074 4.566 4.640 -0.001 0.000 0.206 101 D C -0.408 175.659 176.300 -0.388 0.000 0.967 101 D CA 1.106 54.968 54.000 -0.229 0.000 0.867 101 D CB 0.121 40.700 40.800 -0.367 0.000 0.960 101 D HN 0.343 8.713 8.370 -0.000 0.000 0.509 102 Y N -0.948 119.368 120.300 0.027 0.000 2.373 102 Y HA 0.447 4.997 4.550 -0.000 0.000 0.336 102 Y C -0.916 175.080 175.900 0.159 0.000 0.979 102 Y CA -1.210 56.935 58.100 0.075 0.000 1.080 102 Y CB 1.369 39.753 38.460 -0.128 0.000 1.190 102 Y HN -0.208 8.072 8.280 -0.000 0.000 0.446 103 W N 1.139 122.479 121.300 0.067 0.000 2.799 103 W HA 0.745 5.404 4.660 -0.001 0.000 0.349 103 W C 0.338 176.909 176.519 0.087 0.000 1.100 103 W CA -1.354 56.013 57.345 0.036 0.000 1.174 103 W CB 1.373 30.800 29.460 -0.055 0.000 1.427 103 W HN 0.662 8.842 8.180 -0.000 0.000 0.547 104 G N 0.321 109.333 108.800 0.353 0.000 2.535 104 G HA2 0.390 4.350 3.960 -0.001 0.000 0.303 104 G HA3 0.390 4.350 3.960 -0.001 0.000 0.303 104 G C 0.015 175.150 174.900 0.393 0.000 1.237 104 G CA -0.506 44.763 45.100 0.282 0.000 0.986 104 G HN 0.453 8.743 8.290 -0.000 0.000 0.494 105 Q N -0.815 119.163 119.800 0.297 0.000 2.472 105 Q HA 0.397 4.736 4.340 -0.001 0.000 0.208 105 Q C 1.099 177.311 176.000 0.354 0.000 0.958 105 Q CA 0.289 56.282 55.803 0.318 0.000 0.932 105 Q CB -0.243 28.605 28.738 0.183 0.000 1.007 105 Q HN 1.492 9.762 8.270 -0.000 0.000 0.508 106 G N -0.701 108.249 108.800 0.250 0.000 2.690 106 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.686 106 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.686 106 G C -0.841 174.047 174.900 -0.019 0.000 1.277 106 G CA -0.381 44.664 45.100 -0.090 0.000 0.799 106 G HN 0.332 8.622 8.290 -0.000 0.000 0.613 107 T N -0.447 114.106 114.554 -0.002 0.000 2.881 107 T HA 0.665 5.015 4.350 -0.001 0.000 0.290 107 T C 0.286 174.994 174.700 0.013 0.000 1.000 107 T CA 0.651 62.766 62.100 0.024 0.000 0.978 107 T CB 1.439 70.347 68.868 0.066 0.000 0.997 107 T HN 1.602 9.842 8.240 -0.000 0.000 0.443 108 S N 3.064 118.752 115.700 -0.019 0.000 2.545 108 S HA 0.648 5.117 4.470 -0.001 0.000 0.275 108 S C -0.556 174.026 174.600 -0.029 0.000 1.299 108 S CA -0.457 57.738 58.200 -0.008 0.000 1.048 108 S CB 0.274 63.447 63.200 -0.044 0.000 0.938 108 S HN 0.595 8.905 8.310 -0.000 0.000 0.496 109 V N 4.511 124.438 119.914 0.021 0.000 2.588 109 V HA 0.527 4.647 4.120 -0.001 0.000 0.304 109 V C -0.342 175.762 176.094 0.017 0.000 1.042 109 V CA -0.660 61.613 62.300 -0.046 0.000 0.877 109 V CB 2.156 33.865 31.823 -0.189 0.000 0.996 109 V HN 0.939 9.129 8.190 -0.000 0.000 0.425 110 T N 3.849 118.395 114.554 -0.013 0.000 2.840 110 T HA 0.507 4.856 4.350 -0.001 0.000 0.287 110 T C -0.591 174.141 174.700 0.054 0.000 0.991 110 T CA -0.391 61.723 62.100 0.024 0.000 0.964 110 T CB 1.634 70.483 68.868 -0.031 0.000 0.954 110 T HN 0.327 8.567 8.240 -0.000 0.000 0.438 111 V N 3.309 123.273 119.914 0.084 0.000 2.328 111 V HA 0.771 4.890 4.120 -0.001 0.000 0.278 111 V C 0.096 176.259 176.094 0.116 0.000 1.021 111 V CA -0.336 62.014 62.300 0.083 0.000 0.838 111 V CB 1.087 32.958 31.823 0.078 0.000 0.999 111 V HN 0.913 9.103 8.190 -0.000 0.000 0.447 112 S N 2.695 118.473 115.700 0.130 0.000 2.570 112 S HA 0.391 4.861 4.470 -0.001 0.000 0.270 112 S C 0.840 175.493 174.600 0.089 0.000 1.149 112 S CA 0.145 58.432 58.200 0.145 0.000 0.837 112 S CB 2.191 65.565 63.200 0.289 0.000 1.124 112 S HN 0.878 9.188 8.310 -0.000 0.000 0.465 113 S N 1.774 117.498 115.700 0.040 0.000 2.527 113 S HA 0.405 4.874 4.470 -0.001 0.000 0.222 113 S C 0.914 175.493 174.600 -0.035 0.000 0.985 113 S CA 0.291 58.492 58.200 0.003 0.000 0.921 113 S CB -0.357 62.835 63.200 -0.013 0.000 0.772 113 S HN 1.084 9.394 8.310 -0.000 0.000 0.529 114 A N 2.217 124.988 122.820 -0.081 0.000 2.296 114 A HA 0.587 4.907 4.320 -0.001 0.000 0.264 114 A C 0.705 178.243 177.584 -0.076 0.000 1.097 114 A CA -0.046 51.858 52.037 -0.222 0.000 0.811 114 A CB 0.053 18.662 19.000 -0.653 0.000 1.072 114 A HN 0.561 8.711 8.150 -0.000 0.000 0.495 115 T N -1.794 112.715 114.554 -0.075 0.000 2.952 115 T HA 0.587 4.936 4.350 -0.001 0.000 0.286 115 T C 0.092 174.924 174.700 0.221 0.000 1.024 115 T CA -0.450 61.695 62.100 0.076 0.000 1.029 115 T CB 0.940 69.842 68.868 0.057 0.000 1.094 115 T HN 0.508 8.748 8.240 -0.000 0.000 0.515 116 T N 2.568 117.278 114.554 0.260 0.000 2.901 116 T HA 0.430 4.779 4.350 -0.001 0.000 0.301 116 T C -0.197 174.698 174.700 0.326 0.000 1.012 116 T CA 0.002 62.310 62.100 0.347 0.000 1.135 116 T CB 0.253 69.258 68.868 0.229 0.000 0.936 116 T HN 0.762 9.002 8.240 -0.000 0.000 0.539 117 T N 2.841 117.648 114.554 0.422 0.000 2.949 117 T HA 0.573 4.922 4.350 -0.001 0.000 0.300 117 T C 0.084 174.918 174.700 0.223 0.000 0.988 117 T CA -0.678 61.606 62.100 0.306 0.000 0.993 117 T CB 1.239 70.332 68.868 0.375 0.000 0.984 117 T HN 0.764 9.004 8.240 -0.000 0.000 0.442 118 A N 5.589 128.494 122.820 0.141 0.000 2.483 118 A HA 0.563 4.882 4.320 -0.001 0.000 0.238 118 A C -1.920 175.609 177.584 -0.092 0.000 1.070 118 A CA -1.047 51.011 52.037 0.035 0.000 0.770 118 A CB -0.262 18.779 19.000 0.068 0.000 1.008 118 A HN 0.544 8.694 8.150 -0.000 0.000 0.497 119 P HA 0.154 4.574 4.420 -0.000 0.000 0.272 119 P C -0.448 176.743 177.300 -0.181 0.000 1.223 119 P CA -0.072 62.932 63.100 -0.159 0.000 0.784 119 P CB 0.884 32.406 31.700 -0.298 0.000 0.923 120 S N 0.629 116.195 115.700 -0.223 0.000 2.541 120 S HA 0.437 4.906 4.470 -0.001 0.000 0.283 120 S C -0.149 174.109 174.600 -0.569 0.000 1.196 120 S CA -0.587 57.395 58.200 -0.363 0.000 1.062 120 S CB 0.901 63.886 63.200 -0.358 0.000 1.009 120 S HN 0.238 8.548 8.310 -0.000 0.000 0.502 121 V N 4.000 123.555 119.914 -0.599 0.000 2.531 121 V HA 0.467 4.587 4.120 -0.001 0.000 0.301 121 V C -1.547 174.254 176.094 -0.488 0.000 1.034 121 V CA -0.736 61.261 62.300 -0.506 0.000 0.865 121 V CB 0.933 32.594 31.823 -0.270 0.000 0.995 121 V HN 0.792 8.982 8.190 -0.000 0.000 0.424 122 Y N 5.443 125.742 120.300 -0.001 0.000 2.429 122 Y HA 0.618 5.168 4.550 -0.001 0.000 0.342 122 Y C -2.209 173.709 175.900 0.029 0.000 1.004 122 Y CA -3.328 54.779 58.100 0.013 0.000 1.075 122 Y CB 1.676 40.146 38.460 0.017 0.000 1.214 122 Y HN 0.396 8.676 8.280 -0.000 0.000 0.455 123 P HA 0.233 4.653 4.420 -0.000 0.000 0.278 123 P C -0.956 176.431 177.300 0.145 0.000 1.238 123 P CA -0.146 63.046 63.100 0.153 0.000 0.794 123 P CB 1.515 33.301 31.700 0.144 0.000 0.955 124 L N 3.203 124.504 121.223 0.129 0.000 2.313 124 L HA 0.352 4.692 4.340 -0.001 0.000 0.273 124 L C -0.176 176.730 176.870 0.060 0.000 1.028 124 L CA -0.867 54.027 54.840 0.091 0.000 0.871 124 L CB 1.489 43.598 42.059 0.083 0.000 1.242 124 L HN 0.094 8.324 8.230 -0.000 0.000 0.434 125 V N 3.814 123.772 119.914 0.073 0.000 2.435 125 V HA 0.351 4.470 4.120 -0.001 0.000 0.290 125 V C -1.894 174.243 176.094 0.071 0.000 1.030 125 V CA -1.845 60.508 62.300 0.088 0.000 0.881 125 V CB 1.568 33.495 31.823 0.173 0.000 0.983 125 V HN 0.565 8.755 8.190 -0.000 0.000 0.445 126 P HA 0.043 4.463 4.420 -0.000 0.000 0.253 126 P C 0.465 177.824 177.300 0.098 0.000 1.170 126 P CA 0.303 63.435 63.100 0.053 0.000 0.806 126 P CB 0.045 31.764 31.700 0.032 0.000 0.775 127 G N 3.391 112.227 108.800 0.061 0.000 2.588 127 G HA2 0.061 4.021 3.960 -0.001 0.000 0.297 127 G HA3 0.061 4.021 3.960 -0.001 0.000 0.297 127 G C 0.437 175.366 174.900 0.049 0.000 0.874 127 G CA -0.463 44.669 45.100 0.053 0.000 1.607 127 G HN 0.821 9.111 8.290 -0.000 0.000 0.486 128 C N 2.799 122.134 119.300 0.058 0.000 0.814 128 C HA 0.089 4.549 4.460 -0.001 0.000 0.530 128 C C 1.150 176.162 174.990 0.037 0.000 1.174 128 C CA 1.215 60.262 59.018 0.049 0.000 2.133 128 C CB -2.287 25.476 27.740 0.038 0.000 3.483 128 C HN 0.926 9.156 8.230 -0.000 0.000 0.336 129 S N 3.204 118.927 115.700 0.039 0.000 2.752 129 S HA 0.566 5.035 4.470 -0.001 0.000 0.284 129 S C -1.481 173.137 174.600 0.029 0.000 1.189 129 S CA -0.590 57.627 58.200 0.029 0.000 0.835 129 S CB 1.315 64.530 63.200 0.024 0.000 1.192 129 S HN 0.750 9.060 8.310 -0.000 0.000 0.506 130 D N 2.061 122.474 120.400 0.022 0.000 2.210 130 D HA 0.262 4.902 4.640 -0.001 0.000 0.249 130 D C -0.539 175.773 176.300 0.020 0.000 1.078 130 D CA 0.031 54.044 54.000 0.020 0.000 0.875 130 D CB 1.282 42.091 40.800 0.015 0.000 1.175 130 D HN 0.484 8.854 8.370 -0.000 0.000 0.440 131 T N 1.236 115.804 114.554 0.022 0.000 2.891 131 T HA 0.138 4.488 4.350 -0.001 0.000 0.258 131 T C 0.607 175.314 174.700 0.011 0.000 0.942 131 T CA 0.069 62.181 62.100 0.020 0.000 1.200 131 T CB -0.464 68.418 68.868 0.024 0.000 0.922 131 T HN 0.372 8.612 8.240 -0.000 0.000 0.585 132 S N 1.650 117.354 115.700 0.007 0.000 2.539 132 S HA 0.551 5.020 4.470 -0.001 0.000 0.185 132 S C 0.174 174.772 174.600 -0.003 0.000 1.181 132 S CA -0.672 57.529 58.200 0.002 0.000 1.216 132 S CB 0.494 63.696 63.200 0.003 0.000 1.476 132 S HN 0.818 9.128 8.310 -0.000 0.000 0.395 133 G N 0.642 109.438 108.800 -0.008 0.000 3.967 133 G HA2 0.457 4.417 3.960 -0.001 0.000 0.275 133 G HA3 0.457 4.417 3.960 -0.001 0.000 0.275 133 G C -0.335 174.550 174.900 -0.026 0.000 3.717 133 G CA -0.220 44.871 45.100 -0.016 0.000 0.565 133 G HN 0.924 9.214 8.290 -0.000 0.000 0.255 134 S N 0.458 116.143 115.700 -0.024 0.000 3.910 134 S HA -0.195 4.275 4.470 -0.001 0.000 0.807 134 S C 1.817 176.395 174.600 -0.037 0.000 1.063 134 S CA 0.778 58.959 58.200 -0.031 0.000 1.185 134 S CB -0.563 62.612 63.200 -0.042 0.000 1.659 134 S HN 1.454 9.764 8.310 -0.000 0.000 0.369 135 S N 0.801 116.485 115.700 -0.026 0.000 1.933 135 S HA -0.233 4.236 4.470 -0.001 0.000 0.528 135 S C 1.089 175.673 174.600 -0.027 0.000 0.921 135 S CA 1.744 59.935 58.200 -0.015 0.000 3.303 135 S CB -0.470 62.730 63.200 -0.000 0.000 2.305 135 S HN 1.836 10.146 8.310 -0.000 0.000 0.544 136 V N -1.341 118.539 119.914 -0.056 0.000 2.604 136 V HA 0.755 4.874 4.120 -0.001 0.000 0.305 136 V C -0.542 175.429 176.094 -0.205 0.000 1.043 136 V CA -0.669 61.569 62.300 -0.103 0.000 0.888 136 V CB 1.855 33.631 31.823 -0.079 0.000 0.995 136 V HN 0.407 8.597 8.190 -0.000 0.000 0.429 137 T N 6.535 120.967 114.554 -0.204 0.000 2.770 137 T HA 0.781 5.130 4.350 -0.001 0.000 0.283 137 T C -0.511 174.012 174.700 -0.295 0.000 0.988 137 T CA -0.169 61.785 62.100 -0.243 0.000 0.957 137 T CB 1.008 69.780 68.868 -0.160 0.000 0.930 137 T HN 0.561 8.801 8.240 -0.000 0.000 0.443 138 L N 2.065 123.048 121.223 -0.400 0.000 2.271 138 L HA 1.017 5.356 4.340 -0.001 0.000 0.265 138 L C 0.767 177.488 176.870 -0.247 0.000 1.013 138 L CA -0.469 54.149 54.840 -0.370 0.000 0.820 138 L CB 1.526 43.255 42.059 -0.549 0.000 1.352 138 L HN 0.848 9.078 8.230 -0.000 0.000 0.443 139 G N -1.571 107.232 108.800 0.004 0.000 2.441 139 G HA2 0.529 4.489 3.960 -0.001 0.000 0.294 139 G HA3 0.529 4.489 3.960 -0.001 0.000 0.294 139 G C -2.242 172.876 174.900 0.365 0.000 1.393 139 G CA -0.452 44.795 45.100 0.244 0.000 0.796 139 G HN 0.610 8.900 8.290 -0.000 0.000 0.494 140 c N -0.210 118.589 118.600 0.332 0.000 2.481 140 c HA 0.658 5.227 4.570 -0.001 0.000 0.324 140 c C -0.439 173.715 174.090 0.107 0.000 1.170 140 c CA -0.604 55.812 56.329 0.144 0.000 1.361 140 c CB 0.582 43.074 42.510 -0.030 0.000 1.977 140 c HN 0.812 9.042 8.230 -0.000 0.000 0.459 141 L N 4.954 126.236 121.223 0.098 0.000 2.264 141 L HA 0.721 5.060 4.340 -0.001 0.000 0.289 141 L C -0.562 176.316 176.870 0.014 0.000 1.044 141 L CA 0.262 55.166 54.840 0.108 0.000 0.807 141 L CB 1.028 43.206 42.059 0.197 0.000 1.192 141 L HN 0.521 8.751 8.230 -0.000 0.000 0.425 142 V N 6.056 125.988 119.914 0.031 0.000 2.357 142 V HA 0.549 4.669 4.120 -0.001 0.000 0.284 142 V C 0.018 176.186 176.094 0.124 0.000 1.018 142 V CA -0.650 61.647 62.300 -0.004 0.000 0.841 142 V CB 0.971 32.789 31.823 -0.008 0.000 0.991 142 V HN 0.786 8.976 8.190 -0.000 0.000 0.437 143 K N 2.197 122.618 120.400 0.036 0.000 2.433 143 K HA 0.728 5.047 4.320 -0.001 0.000 0.252 143 K C 0.705 177.307 176.600 0.004 0.000 1.015 143 K CA -0.556 55.778 56.287 0.078 0.000 0.860 143 K CB 1.971 34.535 32.500 0.106 0.000 1.359 143 K HN 0.846 9.096 8.250 -0.000 0.000 0.452 144 G N 1.372 110.111 108.800 -0.102 0.000 2.323 144 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.292 144 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.292 144 G C -0.635 174.103 174.900 -0.271 0.000 1.040 144 G CA 1.160 45.989 45.100 -0.452 0.000 0.942 144 G HN 0.514 8.804 8.290 -0.000 0.000 0.506 145 Y N -2.290 118.029 120.300 0.032 0.000 2.509 145 Y HA 0.877 5.426 4.550 -0.001 0.000 0.341 145 Y C -0.622 175.560 175.900 0.470 0.000 1.038 145 Y CA -3.234 54.909 58.100 0.073 0.000 1.089 145 Y CB 1.601 39.902 38.460 -0.266 0.000 1.241 145 Y HN 0.467 8.747 8.280 -0.000 0.000 0.468 146 F N 2.883 123.107 119.950 0.457 0.000 2.654 146 F HA 0.650 5.177 4.527 -0.001 0.000 0.314 146 F C -3.127 172.944 175.800 0.450 0.000 1.116 146 F CA -2.308 55.968 58.000 0.460 0.000 1.017 146 F CB 2.138 41.365 39.000 0.379 0.000 1.285 146 F HN 0.394 8.694 8.300 -0.000 0.000 0.448 147 P HA 0.267 4.687 4.420 -0.000 0.000 0.312 147 P C -1.165 175.993 177.300 -0.236 0.000 1.308 147 P CA -0.380 62.227 63.100 -0.821 0.000 0.743 147 P CB 0.658 31.963 31.700 -0.657 0.000 1.364 148 E N 0.200 120.061 120.200 -0.565 0.000 2.314 148 E HA 0.329 4.679 4.350 -0.001 0.000 0.262 148 E C -2.078 174.411 176.600 -0.185 0.000 1.093 148 E CA -2.013 54.146 56.400 -0.401 0.000 0.908 148 E CB 0.380 29.588 29.700 -0.820 0.000 1.091 148 E HN 0.310 8.670 8.360 -0.000 0.000 0.425 149 P HA 0.283 4.703 4.420 -0.000 0.000 0.292 149 P C -1.310 175.964 177.300 -0.043 0.000 1.304 149 P CA -0.571 62.499 63.100 -0.050 0.000 0.848 149 P CB 1.436 33.106 31.700 -0.051 0.000 1.260 150 V N -3.305 116.522 119.914 -0.145 0.000 2.789 150 V HA 0.805 4.925 4.120 -0.001 0.000 0.311 150 V C -0.354 175.655 176.094 -0.143 0.000 1.073 150 V CA -0.643 61.506 62.300 -0.253 0.000 0.921 150 V CB 1.107 32.532 31.823 -0.663 0.000 1.009 150 V HN 0.800 8.990 8.190 -0.000 0.000 0.426 151 T N 0.647 115.131 114.554 -0.118 0.000 2.885 151 T HA 0.848 5.198 4.350 -0.001 0.000 0.285 151 T C -0.685 173.950 174.700 -0.109 0.000 1.019 151 T CA -0.786 61.268 62.100 -0.076 0.000 1.010 151 T CB 1.749 70.589 68.868 -0.046 0.000 1.022 151 T HN 0.985 9.225 8.240 -0.000 0.000 0.466 152 V N 2.594 122.457 119.914 -0.085 0.000 2.531 152 V HA 0.562 4.682 4.120 -0.001 0.000 0.301 152 V C -0.220 175.797 176.094 -0.128 0.000 1.034 152 V CA -0.867 61.341 62.300 -0.153 0.000 0.865 152 V CB 1.663 33.405 31.823 -0.134 0.000 0.995 152 V HN 0.920 9.110 8.190 -0.000 0.000 0.424 153 K N 2.743 122.998 120.400 -0.240 0.000 2.350 153 K HA 0.654 4.973 4.320 -0.001 0.000 0.241 153 K C -1.718 174.652 176.600 -0.384 0.000 0.994 153 K CA -0.696 55.507 56.287 -0.140 0.000 0.839 153 K CB 2.534 34.990 32.500 -0.072 0.000 1.244 153 K HN 0.527 8.777 8.250 -0.000 0.000 0.443 154 W N 0.959 122.230 121.300 -0.050 0.000 2.656 154 W HA 0.291 4.951 4.660 -0.001 0.000 0.327 154 W C -0.254 176.250 176.519 -0.023 0.000 1.041 154 W CA -0.358 56.955 57.345 -0.055 0.000 1.229 154 W CB 1.074 30.510 29.460 -0.039 0.000 1.397 154 W HN 0.596 8.776 8.180 -0.000 0.000 0.479 155 N N 3.328 122.099 118.700 0.118 0.000 2.714 155 N HA -0.291 4.449 4.740 -0.001 0.000 0.252 155 N C -0.558 175.116 175.510 0.273 0.000 1.014 155 N CA 1.483 54.638 53.050 0.176 0.000 0.735 155 N CB -1.985 36.641 38.487 0.231 0.000 0.924 155 N HN 0.764 9.144 8.380 -0.000 0.000 0.540 156 Y N -2.674 117.636 120.300 0.017 0.000 4.324 156 Y HA -0.248 4.302 4.550 -0.001 0.000 0.224 156 Y C 1.605 177.519 175.900 0.022 0.000 1.113 156 Y CA 1.918 60.020 58.100 0.002 0.000 1.887 156 Y CB -1.683 36.780 38.460 0.005 0.000 1.602 156 Y HN 0.608 8.888 8.280 -0.000 0.000 0.654 157 G N -2.021 106.866 108.800 0.144 0.000 2.194 157 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.236 157 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.236 157 G C 1.073 176.051 174.900 0.130 0.000 0.987 157 G CA 0.489 45.665 45.100 0.127 0.000 0.635 157 G HN 1.348 9.638 8.290 -0.000 0.000 0.520 158 A N -0.635 122.276 122.820 0.150 0.000 2.066 158 A HA 0.485 4.804 4.320 -0.001 0.000 0.218 158 A C 1.239 178.890 177.584 0.112 0.000 1.157 158 A CA 1.482 53.592 52.037 0.121 0.000 0.670 158 A CB 0.044 19.120 19.000 0.127 0.000 0.804 158 A HN 1.028 9.178 8.150 -0.000 0.000 0.453 159 L N 1.453 122.763 121.223 0.145 0.000 2.283 159 L HA 0.363 4.703 4.340 -0.001 0.000 0.281 159 L C 0.740 177.679 176.870 0.116 0.000 1.033 159 L CA 0.721 55.632 54.840 0.118 0.000 0.848 159 L CB 0.721 42.867 42.059 0.145 0.000 1.226 159 L HN 0.342 8.572 8.230 -0.000 0.000 0.429 160 S N 0.900 116.640 115.700 0.066 0.000 2.575 160 S HA 0.170 4.640 4.470 -0.001 0.000 0.230 160 S C 0.712 175.318 174.600 0.011 0.000 1.062 160 S CA -0.277 57.957 58.200 0.057 0.000 0.913 160 S CB 0.202 63.437 63.200 0.059 0.000 0.837 160 S HN 0.503 8.813 8.310 -0.000 0.000 0.487 161 S N 1.732 117.428 115.700 -0.007 0.000 2.510 161 S HA 0.527 4.997 4.470 -0.001 0.000 0.279 161 S C 1.223 175.782 174.600 -0.068 0.000 1.284 161 S CA 0.269 58.452 58.200 -0.027 0.000 1.059 161 S CB 0.533 63.720 63.200 -0.021 0.000 0.901 161 S HN 1.187 9.497 8.310 -0.000 0.000 0.491 162 G N 1.856 110.613 108.800 -0.071 0.000 2.159 162 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.256 162 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.256 162 G C 0.082 174.891 174.900 -0.152 0.000 0.977 162 G CA -0.088 44.947 45.100 -0.108 0.000 0.652 162 G HN 0.692 8.982 8.290 -0.000 0.000 0.531 163 V N 1.969 121.809 119.914 -0.123 0.000 2.530 163 V HA 0.599 4.719 4.120 -0.001 0.000 0.282 163 V C 0.444 176.509 176.094 -0.050 0.000 1.048 163 V CA -0.232 61.992 62.300 -0.126 0.000 0.997 163 V CB 1.317 33.133 31.823 -0.013 0.000 0.987 163 V HN 0.318 8.508 8.190 -0.000 0.000 0.477 164 R N 2.996 123.470 120.500 -0.043 0.000 2.483 164 R HA 0.484 4.824 4.340 -0.001 0.000 0.303 164 R C -0.865 175.465 176.300 0.050 0.000 0.987 164 R CA -0.415 55.685 56.100 -0.000 0.000 0.881 164 R CB 1.832 32.116 30.300 -0.025 0.000 1.177 164 R HN 0.656 8.926 8.270 -0.000 0.000 0.451 165 T N 2.533 117.129 114.554 0.070 0.000 2.833 165 T HA 0.226 4.575 4.350 -0.001 0.000 0.297 165 T C 0.605 175.350 174.700 0.075 0.000 1.015 165 T CA -0.633 61.522 62.100 0.093 0.000 0.963 165 T CB 1.401 70.333 68.868 0.106 0.000 0.955 165 T HN 0.380 8.620 8.240 -0.000 0.000 0.449 166 V N 2.406 122.366 119.914 0.076 0.000 3.051 166 V HA 0.569 4.689 4.120 -0.001 0.000 0.306 166 V C 0.793 176.938 176.094 0.085 0.000 1.083 166 V CA -0.888 61.454 62.300 0.071 0.000 1.104 166 V CB 0.503 32.367 31.823 0.068 0.000 1.027 166 V HN 0.924 9.114 8.190 -0.000 0.000 0.483 167 S N 2.823 118.572 115.700 0.081 0.000 2.584 167 S HA 0.343 4.812 4.470 -0.001 0.000 0.270 167 S C 0.406 175.081 174.600 0.126 0.000 1.346 167 S CA -0.026 58.232 58.200 0.097 0.000 1.018 167 S CB 0.542 63.793 63.200 0.085 0.000 0.899 167 S HN 1.908 10.217 8.310 -0.000 0.000 0.542 168 S N 0.765 116.563 115.700 0.165 0.000 2.603 168 S HA 0.597 5.067 4.470 -0.001 0.000 0.268 168 S C -0.305 174.420 174.600 0.209 0.000 1.317 168 S CA -0.778 57.560 58.200 0.229 0.000 1.012 168 S CB 0.474 63.870 63.200 0.326 0.000 0.926 168 S HN 0.832 9.142 8.310 -0.000 0.000 0.539 169 V N 2.004 122.020 119.914 0.170 0.000 2.709 169 V HA 0.472 4.592 4.120 -0.001 0.000 0.308 169 V C -0.789 175.256 176.094 -0.082 0.000 1.062 169 V CA -0.890 61.451 62.300 0.068 0.000 0.901 169 V CB 1.664 33.510 31.823 0.039 0.000 1.003 169 V HN 0.913 9.103 8.190 -0.000 0.000 0.425 170 L N 4.180 125.261 121.223 -0.237 0.000 2.264 170 L HA 0.692 5.032 4.340 -0.001 0.000 0.289 170 L C -0.388 176.331 176.870 -0.253 0.000 1.044 170 L CA 0.689 55.214 54.840 -0.525 0.000 0.807 170 L CB 0.980 42.631 42.059 -0.680 0.000 1.192 170 L HN 0.866 9.096 8.230 -0.000 0.000 0.425 171 Q N 2.782 122.461 119.800 -0.201 0.000 2.353 171 Q HA 0.365 4.705 4.340 -0.001 0.000 0.275 171 Q C -0.145 175.815 176.000 -0.068 0.000 1.029 171 Q CA -0.304 55.439 55.803 -0.101 0.000 0.848 171 Q CB 1.943 30.654 28.738 -0.045 0.000 1.390 171 Q HN 0.732 9.002 8.270 -0.000 0.000 0.401 172 S N 1.645 117.301 115.700 -0.073 0.000 3.587 172 S HA -0.261 4.208 4.470 -0.001 0.000 0.337 172 S C 0.792 175.254 174.600 -0.230 0.000 1.119 172 S CA 1.391 59.548 58.200 -0.071 0.000 0.976 172 S CB -1.665 61.564 63.200 0.050 0.000 0.922 172 S HN 1.393 9.703 8.310 -0.000 0.000 0.503 173 G N -1.135 107.482 108.800 -0.305 0.000 2.184 173 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.264 173 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.264 173 G C -0.027 174.516 174.900 -0.595 0.000 0.975 173 G CA 0.511 45.298 45.100 -0.521 0.000 0.642 173 G HN 0.713 9.003 8.290 -0.000 0.000 0.536 174 F N -1.003 118.886 119.950 -0.102 0.000 2.561 174 F HA 0.752 5.278 4.527 -0.001 0.000 0.321 174 F C 0.281 175.915 175.800 -0.277 0.000 1.065 174 F CA -1.555 56.403 58.000 -0.069 0.000 0.934 174 F CB 1.284 40.260 39.000 -0.040 0.000 1.215 174 F HN -0.034 8.266 8.300 -0.000 0.000 0.471 175 Y N 0.567 120.755 120.300 -0.186 0.000 2.403 175 Y HA 0.595 5.145 4.550 -0.001 0.000 0.323 175 Y C 0.247 175.788 175.900 -0.598 0.000 1.226 175 Y CA -0.541 57.249 58.100 -0.517 0.000 1.235 175 Y CB 1.915 39.822 38.460 -0.921 0.000 1.248 175 Y HN 0.543 8.823 8.280 -0.000 0.000 0.489 176 S N 2.027 117.681 115.700 -0.077 0.000 2.547 176 S HA 0.869 5.339 4.470 -0.001 0.000 0.270 176 S C -1.690 173.029 174.600 0.197 0.000 1.150 176 S CA -0.825 57.438 58.200 0.106 0.000 0.850 176 S CB 1.855 65.104 63.200 0.081 0.000 1.118 176 S HN 0.834 9.144 8.310 -0.000 0.000 0.461 177 L N -1.996 119.362 121.223 0.226 0.000 2.940 177 L HA 0.964 5.304 4.340 -0.001 0.000 0.270 177 L C -1.036 175.919 176.870 0.141 0.000 1.030 177 L CA -0.605 54.341 54.840 0.177 0.000 0.928 177 L CB 1.157 43.335 42.059 0.199 0.000 1.506 177 L HN 0.676 8.906 8.230 -0.000 0.000 0.405 178 S N -0.085 115.687 115.700 0.119 0.000 2.548 178 S HA 0.849 5.318 4.470 -0.001 0.000 0.286 178 S C -1.125 173.552 174.600 0.128 0.000 1.098 178 S CA -0.557 57.712 58.200 0.116 0.000 0.930 178 S CB 1.770 65.031 63.200 0.102 0.000 1.070 178 S HN 0.890 9.200 8.310 -0.000 0.000 0.480 179 S N 1.983 117.789 115.700 0.177 0.000 2.532 179 S HA 0.820 5.290 4.470 -0.001 0.000 0.299 179 S C -1.530 173.265 174.600 0.324 0.000 1.105 179 S CA -0.553 57.803 58.200 0.260 0.000 1.018 179 S CB 0.121 63.522 63.200 0.336 0.000 1.021 179 S HN 0.466 8.776 8.310 -0.000 0.000 0.483 180 L N 3.629 124.923 121.223 0.118 0.000 2.350 180 L HA 0.849 5.188 4.340 -0.001 0.000 0.260 180 L C -0.517 176.098 176.870 -0.425 0.000 1.015 180 L CA -0.842 53.926 54.840 -0.120 0.000 0.821 180 L CB 1.931 43.933 42.059 -0.095 0.000 1.370 180 L HN 0.472 8.702 8.230 -0.000 0.000 0.416 181 V N -0.391 119.095 119.914 -0.714 0.000 2.971 181 V HA 0.732 4.852 4.120 -0.001 0.000 0.309 181 V C -1.057 174.736 176.094 -0.502 0.000 1.130 181 V CA -0.040 61.821 62.300 -0.731 0.000 0.964 181 V CB 2.669 33.749 31.823 -1.238 0.000 1.029 181 V HN 0.805 8.995 8.190 -0.000 0.000 0.427 182 T N 5.405 119.754 114.554 -0.343 0.000 2.807 182 T HA 0.728 5.077 4.350 -0.001 0.000 0.279 182 T C -0.560 174.014 174.700 -0.209 0.000 0.993 182 T CA -0.256 61.694 62.100 -0.251 0.000 0.970 182 T CB 1.320 70.087 68.868 -0.168 0.000 0.950 182 T HN 1.162 9.402 8.240 -0.000 0.000 0.441 183 V N 1.289 121.090 119.914 -0.189 0.000 3.160 183 V HA 0.807 4.927 4.120 -0.001 0.000 0.310 183 V C -3.172 172.888 176.094 -0.058 0.000 1.181 183 V CA -3.409 58.821 62.300 -0.117 0.000 1.047 183 V CB 1.704 33.458 31.823 -0.115 0.000 1.068 183 V HN 0.480 8.670 8.190 -0.000 0.000 0.441 184 P HA 0.208 4.628 4.420 -0.000 0.000 0.268 184 P C 0.923 178.258 177.300 0.058 0.000 1.204 184 P CA 0.414 63.523 63.100 0.016 0.000 0.768 184 P CB 0.962 32.675 31.700 0.023 0.000 0.842 185 S N 0.995 116.734 115.700 0.064 0.000 2.442 185 S HA -0.147 4.322 4.470 -0.001 0.000 0.236 185 S C 1.601 176.274 174.600 0.122 0.000 1.007 185 S CA 1.372 59.642 58.200 0.116 0.000 0.965 185 S CB -1.169 62.084 63.200 0.089 0.000 0.773 185 S HN 0.497 8.807 8.310 -0.000 0.000 0.504 186 S N 1.350 117.099 115.700 0.082 0.000 2.562 186 S HA -0.002 4.468 4.470 -0.001 0.000 0.221 186 S C 1.618 176.264 174.600 0.076 0.000 0.975 186 S CA 0.687 58.926 58.200 0.065 0.000 0.918 186 S CB -0.760 62.465 63.200 0.042 0.000 0.772 186 S HN 0.785 9.095 8.310 -0.000 0.000 0.531 187 T N -3.926 110.694 114.554 0.111 0.000 3.069 187 T HA 0.263 4.613 4.350 -0.001 0.000 0.252 187 T C -0.367 174.460 174.700 0.211 0.000 1.053 187 T CA -0.630 61.545 62.100 0.124 0.000 0.964 187 T CB -0.302 68.629 68.868 0.105 0.000 1.005 187 T HN 0.510 8.750 8.240 -0.000 0.000 0.532 188 W N 2.048 123.352 121.300 0.008 0.000 2.883 188 W HA 0.581 5.240 4.660 -0.000 0.000 0.335 188 W C -2.655 173.872 176.519 0.013 0.000 1.083 188 W CA -2.421 54.932 57.345 0.013 0.000 1.233 188 W CB 2.135 31.600 29.460 0.008 0.000 1.412 188 W HN -0.142 8.038 8.180 -0.000 0.000 0.490 189 P HA -0.098 4.322 4.420 -0.000 0.000 0.241 189 P C 1.720 178.896 177.300 -0.206 0.000 1.191 189 P CA 1.521 64.178 63.100 -0.738 0.000 0.771 189 P CB 0.245 31.488 31.700 -0.761 0.000 0.929 190 S N -0.491 115.155 115.700 -0.091 0.000 2.393 190 S HA -0.268 4.201 4.470 -0.001 0.000 0.234 190 S C 0.949 175.567 174.600 0.030 0.000 1.064 190 S CA 1.234 59.423 58.200 -0.019 0.000 1.088 190 S CB -1.151 62.056 63.200 0.011 0.000 0.939 190 S HN 0.306 8.616 8.310 -0.000 0.000 0.448 191 Q N 1.643 121.498 119.800 0.092 0.000 2.325 191 Q HA 0.413 4.752 4.340 -0.001 0.000 0.262 191 Q C -0.895 175.223 176.000 0.197 0.000 0.968 191 Q CA -0.392 55.486 55.803 0.126 0.000 0.877 191 Q CB 1.641 30.455 28.738 0.127 0.000 1.253 191 Q HN 0.234 8.504 8.270 -0.000 0.000 0.448 192 T N 1.890 116.541 114.554 0.162 0.000 2.908 192 T HA 0.095 4.445 4.350 -0.001 0.000 0.301 192 T C -0.103 174.744 174.700 0.246 0.000 1.019 192 T CA 0.046 62.264 62.100 0.198 0.000 1.152 192 T CB 0.224 69.181 68.868 0.148 0.000 0.966 192 T HN 0.234 8.474 8.240 -0.000 0.000 0.540 193 V N 5.818 125.920 119.914 0.313 0.000 2.487 193 V HA 0.622 4.741 4.120 -0.001 0.000 0.298 193 V C 0.100 176.371 176.094 0.295 0.000 1.028 193 V CA -0.849 61.634 62.300 0.305 0.000 0.860 193 V CB 1.179 33.150 31.823 0.246 0.000 0.991 193 V HN 0.836 9.026 8.190 -0.000 0.000 0.427 194 I N 2.520 123.235 120.570 0.241 0.000 2.769 194 I HA 0.840 5.009 4.170 -0.001 0.000 0.298 194 I C -0.315 175.645 176.117 -0.261 0.000 1.128 194 I CA -0.649 60.665 61.300 0.024 0.000 1.031 194 I CB 2.178 40.137 38.000 -0.068 0.000 1.235 194 I HN 0.682 8.892 8.210 -0.000 0.000 0.423 195 c N 2.862 121.091 118.600 -0.618 0.000 2.355 195 c HA 0.596 5.166 4.570 -0.001 0.000 0.332 195 c C -0.502 173.180 174.090 -0.681 0.000 1.255 195 c CA -0.482 55.156 56.329 -1.152 0.000 1.792 195 c CB 0.775 42.390 42.510 -1.491 0.000 2.300 195 c HN 0.834 9.064 8.230 -0.000 0.000 0.515 196 N N 2.608 120.924 118.700 -0.640 0.000 2.511 196 N HA 0.389 5.128 4.740 -0.001 0.000 0.249 196 N C -1.141 174.154 175.510 -0.360 0.000 0.971 196 N CA -0.183 52.596 53.050 -0.452 0.000 0.938 196 N CB 2.013 40.245 38.487 -0.425 0.000 1.131 196 N HN 0.654 9.034 8.380 -0.000 0.000 0.505 197 V N 1.828 121.563 119.914 -0.298 0.000 2.311 197 V HA 0.456 4.576 4.120 -0.001 0.000 0.275 197 V C 0.303 176.286 176.094 -0.184 0.000 1.022 197 V CA -0.785 61.366 62.300 -0.250 0.000 0.830 197 V CB 0.832 32.500 31.823 -0.258 0.000 1.012 197 V HN 0.648 8.838 8.190 -0.000 0.000 0.452 198 A N 3.552 126.280 122.820 -0.153 0.000 2.305 198 A HA 0.729 5.049 4.320 -0.001 0.000 0.322 198 A C -0.596 176.949 177.584 -0.066 0.000 1.187 198 A CA -0.377 51.602 52.037 -0.097 0.000 0.825 198 A CB 0.480 19.432 19.000 -0.080 0.000 1.164 198 A HN 0.958 9.108 8.150 -0.000 0.000 0.498 199 H N 3.222 122.195 119.070 -0.162 0.000 2.854 199 H HA 0.429 4.984 4.556 -0.001 0.000 0.275 199 H C -2.525 172.741 175.328 -0.103 0.000 1.198 199 H CA -1.907 54.039 56.048 -0.170 0.000 1.489 199 H CB 1.410 31.062 29.762 -0.183 0.000 1.519 199 H HN 0.324 8.604 8.280 -0.000 0.000 0.503 200 P HA -0.238 4.182 4.420 -0.000 0.000 0.216 200 P C 1.312 178.417 177.300 -0.325 0.000 1.154 200 P CA 2.399 65.355 63.100 -0.239 0.000 0.865 200 P CB 0.221 31.819 31.700 -0.171 0.000 0.789 201 A N -0.260 122.221 122.820 -0.565 0.000 1.940 201 A HA -0.200 4.120 4.320 -0.001 0.000 0.219 201 A C 2.138 179.563 177.584 -0.265 0.000 1.176 201 A CA 2.406 54.192 52.037 -0.418 0.000 0.631 201 A CB -1.411 17.329 19.000 -0.433 0.000 0.814 201 A HN 0.376 8.526 8.150 -0.000 0.000 0.446 202 S N -1.983 113.543 115.700 -0.290 0.000 2.557 202 S HA 0.265 4.735 4.470 -0.001 0.000 0.223 202 S C 0.488 175.068 174.600 -0.033 0.000 0.969 202 S CA 0.380 58.565 58.200 -0.025 0.000 0.927 202 S CB -0.201 63.108 63.200 0.181 0.000 0.806 202 S HN 0.499 8.809 8.310 -0.000 0.000 0.489 203 K N 0.363 120.711 120.400 -0.087 0.000 3.096 203 K HA -0.135 4.185 4.320 -0.001 0.000 0.266 203 K C -0.133 176.449 176.600 -0.030 0.000 1.043 203 K CA 0.670 56.923 56.287 -0.057 0.000 0.758 203 K CB -2.459 30.016 32.500 -0.042 0.000 1.260 203 K HN 0.639 8.889 8.250 -0.000 0.000 0.481 204 V N -2.890 117.012 119.914 -0.020 0.000 2.960 204 V HA 0.791 4.910 4.120 -0.001 0.000 0.315 204 V C -0.558 175.520 176.094 -0.026 0.000 1.087 204 V CA -0.878 61.416 62.300 -0.009 0.000 0.982 204 V CB 2.532 34.363 31.823 0.012 0.000 1.039 204 V HN 0.140 8.330 8.190 -0.000 0.000 0.437 205 D N 2.517 122.895 120.400 -0.038 0.000 2.575 205 D HA 0.343 4.982 4.640 -0.001 0.000 0.250 205 D C -1.486 174.766 176.300 -0.080 0.000 1.279 205 D CA -0.313 53.649 54.000 -0.064 0.000 0.925 205 D CB 1.788 42.561 40.800 -0.045 0.000 1.261 205 D HN 0.721 9.091 8.370 -0.000 0.000 0.567 206 L N 5.734 126.887 121.223 -0.117 0.000 2.265 206 L HA 0.525 4.864 4.340 -0.001 0.000 0.289 206 L C -0.823 175.943 176.870 -0.173 0.000 1.033 206 L CA -0.442 54.321 54.840 -0.127 0.000 0.814 206 L CB 0.700 42.675 42.059 -0.140 0.000 1.203 206 L HN 0.471 8.701 8.230 -0.000 0.000 0.423 207 I N 5.819 126.298 120.570 -0.151 0.000 2.321 207 I HA 0.371 4.541 4.170 -0.001 0.000 0.291 207 I C -0.078 175.952 176.117 -0.146 0.000 0.998 207 I CA -0.415 60.767 61.300 -0.196 0.000 1.227 207 I CB 1.520 39.423 38.000 -0.162 0.000 1.368 207 I HN 0.513 8.723 8.210 -0.000 0.000 0.466 208 K N 6.931 127.226 120.400 -0.175 0.000 2.482 208 K HA 0.348 4.667 4.320 -0.001 0.000 0.251 208 K C -0.961 175.601 176.600 -0.063 0.000 0.936 208 K CA -0.627 55.599 56.287 -0.102 0.000 0.791 208 K CB 1.832 34.268 32.500 -0.107 0.000 1.213 208 K HN 0.697 8.947 8.250 -0.000 0.000 0.428 209 E N 5.580 125.787 120.200 0.012 0.000 2.109 209 E HA 0.222 4.572 4.350 -0.001 0.000 0.278 209 E C -0.212 176.475 176.600 0.144 0.000 0.954 209 E CA -0.861 55.589 56.400 0.083 0.000 0.779 209 E CB 0.811 30.566 29.700 0.091 0.000 1.093 209 E HN 0.295 8.655 8.360 -0.000 0.000 0.401 210 I N 3.058 123.762 120.570 0.225 0.000 2.452 210 I HA 0.106 4.276 4.170 -0.001 0.000 0.287 210 I C 0.153 176.541 176.117 0.452 0.000 1.079 210 I CA -0.182 61.298 61.300 0.300 0.000 1.387 210 I CB 0.283 38.461 38.000 0.296 0.000 1.404 210 I HN 0.528 8.738 8.210 -0.000 0.000 0.522 211 S N 4.129 120.037 115.700 0.346 0.000 2.664 211 S HA 0.698 5.167 4.470 -0.001 0.000 0.304 211 S C 0.583 175.333 174.600 0.250 0.000 1.099 211 S CA -0.627 57.710 58.200 0.227 0.000 1.003 211 S CB 1.970 65.212 63.200 0.070 0.000 1.092 211 S HN 0.790 9.100 8.310 -0.000 0.000 0.525 212 G N 2.881 111.597 108.800 -0.141 0.000 3.964 212 G HA2 0.434 4.394 3.960 -0.001 0.000 0.289 212 G HA3 0.434 4.394 3.960 -0.001 0.000 0.289 212 G C -1.379 173.494 174.900 -0.045 0.000 1.176 212 G CA -0.902 44.143 45.100 -0.091 0.000 1.553 212 G HN 0.508 8.798 8.290 -0.000 0.000 0.588 213 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 213 P CA 0.000 63.109 63.100 0.014 0.000 0.800 213 P CB 0.000 31.721 31.700 0.035 0.000 0.726