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 2tsy_1_A DATA FIRST_RESID 1 DATA SEQUENCE MERYENLFAQ LNDRREGAFV PFVTLGDPGI EQSLKIIDTL IDAGADALEL DATA SEQUENCE GVPFSDPLAD GPTIQNANLR AFAAGVTPAQ CFEMLALIRE KHPTIPIGLL DATA SEQUENCE MYANLVFNNG IDAFYARCEQ VGVDSVLVAD VPVEESAPFR QAALRHNIAP DATA SEQUENCE IFICPPNADD DLLRQVASYG RGYTYLLSRS GVTGAENXXX XXXHHLIEKL DATA SEQUENCE KEYHAAPALQ GFGISSPEQV SAAVRAGAAG AISGSAIVKI IEKNLASPKQ DATA SEQUENCE MLAELRSFVS AMKAASRA 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 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.409 176.300 0.181 0.000 1.140 1 M CA 0.000 55.418 55.300 0.197 0.000 0.988 1 M CB 0.000 32.674 32.600 0.124 0.000 1.302 2 E N 0.906 121.165 120.200 0.099 0.000 2.147 2 E HA -0.146 4.204 4.350 -0.001 0.000 0.199 2 E C 1.657 178.266 176.600 0.016 0.000 1.005 2 E CA 2.123 58.564 56.400 0.068 0.000 0.810 2 E CB -0.177 29.546 29.700 0.037 0.000 0.736 2 E HN 0.395 8.755 8.360 -0.000 0.000 0.460 3 R N -0.913 119.544 120.500 -0.072 0.000 2.211 3 R HA -0.191 4.149 4.340 -0.001 0.000 0.240 3 R C 1.703 177.832 176.300 -0.284 0.000 1.144 3 R CA 1.155 57.141 56.100 -0.190 0.000 0.992 3 R CB -0.286 29.843 30.300 -0.286 0.000 0.869 3 R HN 0.303 8.573 8.270 -0.000 0.000 0.462 4 Y N 0.917 121.179 120.300 -0.063 0.000 2.153 4 Y HA -0.082 4.468 4.550 -0.001 0.000 0.289 4 Y C 2.327 178.156 175.900 -0.117 0.000 1.119 4 Y CA 0.886 58.888 58.100 -0.164 0.000 1.116 4 Y CB -0.341 38.139 38.460 0.034 0.000 1.004 4 Y HN 0.005 8.285 8.280 -0.000 0.000 0.501 5 E N 0.196 120.524 120.200 0.214 0.000 2.086 5 E HA -0.337 4.013 4.350 -0.001 0.000 0.200 5 E C 1.894 178.564 176.600 0.116 0.000 1.012 5 E CA 1.642 58.165 56.400 0.205 0.000 0.812 5 E CB -0.518 29.274 29.700 0.154 0.000 0.743 5 E HN 0.500 8.860 8.360 -0.000 0.000 0.453 6 N N 1.387 120.109 118.700 0.036 0.000 2.018 6 N HA -0.234 4.505 4.740 -0.001 0.000 0.196 6 N C 1.889 177.385 175.510 -0.023 0.000 1.043 6 N CA 1.591 54.640 53.050 -0.002 0.000 0.856 6 N CB -0.494 37.968 38.487 -0.041 0.000 1.042 6 N HN 0.134 8.514 8.380 -0.000 0.000 0.423 7 L N -0.846 120.305 121.223 -0.119 0.000 2.046 7 L HA 0.069 4.409 4.340 -0.001 0.000 0.208 7 L C 2.079 178.907 176.870 -0.069 0.000 1.077 7 L CA 1.604 56.339 54.840 -0.176 0.000 0.747 7 L CB -0.731 41.100 42.059 -0.379 0.000 0.896 7 L HN 0.326 8.556 8.230 -0.000 0.000 0.432 8 F N -0.981 119.015 119.950 0.077 0.000 2.206 8 F HA -0.135 4.391 4.527 -0.001 0.000 0.298 8 F C 2.408 178.236 175.800 0.047 0.000 1.090 8 F CA 0.449 58.489 58.000 0.067 0.000 1.323 8 F CB -0.433 38.621 39.000 0.091 0.000 1.028 8 F HN 0.229 8.529 8.300 -0.000 0.000 0.492 9 A N -0.126 122.820 122.820 0.211 0.000 1.845 9 A HA -0.200 4.119 4.320 -0.001 0.000 0.215 9 A C 2.098 179.736 177.584 0.091 0.000 1.195 9 A CA 1.241 53.354 52.037 0.126 0.000 0.616 9 A CB -0.764 18.290 19.000 0.091 0.000 0.832 9 A HN 0.235 8.385 8.150 -0.000 0.000 0.443 10 Q N -0.393 119.446 119.800 0.065 0.000 2.297 10 Q HA -0.086 4.254 4.340 -0.001 0.000 0.208 10 Q C 2.042 178.076 176.000 0.056 0.000 0.981 10 Q CA 1.056 56.886 55.803 0.045 0.000 0.876 10 Q CB -0.372 28.378 28.738 0.021 0.000 0.921 10 Q HN 0.731 9.001 8.270 -0.000 0.000 0.446 11 L N 0.260 121.536 121.223 0.089 0.000 2.162 11 L HA -0.064 4.275 4.340 -0.001 0.000 0.205 11 L C 2.333 179.258 176.870 0.092 0.000 1.086 11 L CA 0.529 55.429 54.840 0.099 0.000 0.778 11 L CB -0.404 41.748 42.059 0.156 0.000 0.928 11 L HN 0.255 8.485 8.230 -0.000 0.000 0.446 12 N N 0.276 119.040 118.700 0.106 0.000 2.084 12 N HA -0.262 4.477 4.740 -0.001 0.000 0.190 12 N C 1.504 177.045 175.510 0.050 0.000 1.030 12 N CA 1.644 54.737 53.050 0.073 0.000 0.849 12 N CB -0.052 38.480 38.487 0.076 0.000 1.012 12 N HN 0.351 8.731 8.380 -0.000 0.000 0.423 13 D N 1.298 121.730 120.400 0.052 0.000 2.242 13 D HA -0.244 4.395 4.640 -0.001 0.000 0.193 13 D C 1.246 177.565 176.300 0.031 0.000 1.005 13 D CA 1.561 55.584 54.000 0.038 0.000 0.856 13 D CB -0.140 40.682 40.800 0.037 0.000 1.001 13 D HN 0.488 8.858 8.370 -0.000 0.000 0.452 14 R N 0.525 121.044 120.500 0.032 0.000 2.541 14 R HA 0.118 4.457 4.340 -0.001 0.000 0.245 14 R C 0.209 176.524 176.300 0.025 0.000 1.154 14 R CA -0.440 55.675 56.100 0.024 0.000 1.179 14 R CB -0.295 30.018 30.300 0.022 0.000 1.189 14 R HN -0.064 8.206 8.270 -0.000 0.000 0.526 15 R N 2.242 122.759 120.500 0.028 0.000 2.590 15 R HA -0.240 4.099 4.340 -0.001 0.000 0.245 15 R C -1.166 175.148 176.300 0.023 0.000 0.853 15 R CA 1.510 57.624 56.100 0.025 0.000 0.659 15 R CB -1.046 29.264 30.300 0.017 0.000 1.580 15 R HN 0.879 9.149 8.270 -0.000 0.000 0.531 16 E N 0.318 120.538 120.200 0.034 0.000 2.412 16 E HA 0.583 4.932 4.350 -0.001 0.000 0.279 16 E C -0.233 176.399 176.600 0.053 0.000 0.984 16 E CA -0.872 55.548 56.400 0.034 0.000 0.788 16 E CB 1.019 30.738 29.700 0.031 0.000 1.277 16 E HN 0.281 8.641 8.360 -0.000 0.000 0.455 17 G N 0.138 108.967 108.800 0.049 0.000 2.507 17 G HA2 0.524 4.484 3.960 -0.001 0.000 0.271 17 G HA3 0.524 4.484 3.960 -0.001 0.000 0.271 17 G C -0.401 174.563 174.900 0.108 0.000 1.189 17 G CA -0.309 44.833 45.100 0.069 0.000 0.859 17 G HN 0.613 8.903 8.290 -0.000 0.000 0.542 18 A N 0.127 123.036 122.820 0.147 0.000 2.327 18 A HA 0.635 4.955 4.320 -0.001 0.000 0.283 18 A C -1.218 176.486 177.584 0.199 0.000 1.127 18 A CA -0.404 51.730 52.037 0.161 0.000 0.810 18 A CB 0.629 19.753 19.000 0.207 0.000 1.066 18 A HN 0.700 8.850 8.150 -0.000 0.000 0.492 19 F N 3.124 123.070 119.950 -0.006 0.000 2.496 19 F HA 0.501 5.027 4.527 -0.001 0.000 0.341 19 F C -0.739 175.053 175.800 -0.014 0.000 1.134 19 F CA -0.990 57.000 58.000 -0.017 0.000 0.968 19 F CB 1.776 40.758 39.000 -0.030 0.000 1.205 19 F HN 0.251 8.551 8.300 -0.000 0.000 0.436 20 V N 8.262 127.730 119.914 -0.743 0.000 2.294 20 V HA 0.357 4.476 4.120 -0.001 0.000 0.272 20 V C -2.206 173.489 176.094 -0.665 0.000 1.027 20 V CA -1.864 60.116 62.300 -0.534 0.000 0.823 20 V CB 0.694 32.352 31.823 -0.274 0.000 1.030 20 V HN 0.576 8.766 8.190 -0.000 0.000 0.457 21 P HA 0.235 4.655 4.420 -0.000 0.000 0.272 21 P C -0.928 176.365 177.300 -0.012 0.000 1.230 21 P CA -0.083 62.871 63.100 -0.243 0.000 0.788 21 P CB 0.510 32.129 31.700 -0.135 0.000 0.949 22 F N 2.042 121.960 119.950 -0.052 0.000 2.540 22 F HA 0.644 5.170 4.527 -0.001 0.000 0.317 22 F C -1.309 174.486 175.800 -0.008 0.000 1.104 22 F CA -0.599 57.392 58.000 -0.015 0.000 0.913 22 F CB 1.384 40.393 39.000 0.015 0.000 1.170 22 F HN 0.010 8.310 8.300 -0.000 0.000 0.450 23 V N 3.441 122.919 119.914 -0.726 0.000 3.012 23 V HA 0.392 4.512 4.120 -0.001 0.000 0.307 23 V C -0.769 174.906 176.094 -0.698 0.000 1.166 23 V CA -0.727 61.300 62.300 -0.455 0.000 0.974 23 V CB 2.678 34.362 31.823 -0.231 0.000 1.040 23 V HN 0.805 8.995 8.190 -0.000 0.000 0.428 24 T N 4.806 119.174 114.554 -0.311 0.000 2.806 24 T HA 0.482 4.831 4.350 -0.001 0.000 0.290 24 T C -0.022 174.562 174.700 -0.192 0.000 0.966 24 T CA -0.174 61.798 62.100 -0.213 0.000 1.060 24 T CB 0.545 69.387 68.868 -0.043 0.000 0.927 24 T HN 0.394 8.634 8.240 -0.000 0.000 0.485 25 L N 3.628 124.733 121.223 -0.197 0.000 2.597 25 L HA 0.330 4.669 4.340 -0.001 0.000 0.271 25 L C 1.453 178.245 176.870 -0.130 0.000 1.157 25 L CA 0.616 55.359 54.840 -0.162 0.000 0.928 25 L CB -0.129 41.832 42.059 -0.163 0.000 1.216 25 L HN 1.107 9.337 8.230 -0.000 0.000 0.481 26 G N 2.041 110.779 108.800 -0.104 0.000 2.211 26 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.201 26 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.201 26 G C -0.104 174.754 174.900 -0.070 0.000 0.997 26 G CA -0.097 44.954 45.100 -0.081 0.000 0.652 26 G HN 0.624 8.914 8.290 -0.000 0.000 0.500 27 D N 1.478 121.834 120.400 -0.075 0.000 2.264 27 D HA 0.538 5.177 4.640 -0.001 0.000 0.250 27 D C -1.563 174.715 176.300 -0.037 0.000 1.113 27 D CA -2.069 51.900 54.000 -0.052 0.000 0.871 27 D CB 1.679 42.449 40.800 -0.051 0.000 1.167 27 D HN 0.110 8.480 8.370 -0.000 0.000 0.447 28 P HA 0.341 4.761 4.420 -0.000 0.000 0.231 28 P C -0.280 177.014 177.300 -0.010 0.000 1.833 28 P CA -0.360 62.731 63.100 -0.014 0.000 1.023 28 P CB 0.185 31.881 31.700 -0.007 0.000 1.643 29 G N -0.254 108.536 108.800 -0.016 0.000 2.312 29 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.347 29 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.347 29 G C 0.195 175.086 174.900 -0.016 0.000 1.564 29 G CA -0.812 44.283 45.100 -0.010 0.000 0.981 29 G HN -0.016 8.274 8.290 -0.000 0.000 0.678 30 I N 0.109 120.672 120.570 -0.012 0.000 2.202 30 I HA -0.116 4.053 4.170 -0.001 0.000 0.242 30 I C 2.632 178.741 176.117 -0.012 0.000 1.091 30 I CA 1.660 62.951 61.300 -0.015 0.000 1.368 30 I CB -0.049 37.947 38.000 -0.007 0.000 1.058 30 I HN 0.820 9.030 8.210 -0.000 0.000 0.410 31 E N 0.718 120.915 120.200 -0.005 0.000 2.038 31 E HA -0.308 4.042 4.350 -0.001 0.000 0.195 31 E C 2.142 178.739 176.600 -0.004 0.000 1.000 31 E CA 1.754 58.153 56.400 -0.002 0.000 0.803 31 E CB 0.054 29.754 29.700 0.001 0.000 0.750 31 E HN 0.484 8.844 8.360 -0.000 0.000 0.448 32 Q N -0.199 119.598 119.800 -0.006 0.000 2.297 32 Q HA -0.045 4.295 4.340 -0.001 0.000 0.204 32 Q C 2.015 178.007 176.000 -0.014 0.000 0.962 32 Q CA 0.954 56.753 55.803 -0.007 0.000 0.879 32 Q CB -0.080 28.655 28.738 -0.006 0.000 0.947 32 Q HN 0.056 8.326 8.270 -0.000 0.000 0.462 33 S N 0.029 115.715 115.700 -0.023 0.000 2.355 33 S HA -0.058 4.411 4.470 -0.001 0.000 0.222 33 S C 1.696 176.274 174.600 -0.037 0.000 1.031 33 S CA 0.771 58.948 58.200 -0.039 0.000 0.993 33 S CB -0.162 63.007 63.200 -0.053 0.000 0.859 33 S HN 0.359 8.669 8.310 -0.000 0.000 0.453 34 L N 1.032 122.240 121.223 -0.025 0.000 2.042 34 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 34 L C 2.584 179.451 176.870 -0.004 0.000 1.076 34 L CA 1.468 56.298 54.840 -0.015 0.000 0.749 34 L CB -0.494 41.564 42.059 -0.001 0.000 0.893 34 L HN 0.317 8.547 8.230 -0.000 0.000 0.432 35 K N 0.052 120.453 120.400 0.000 0.000 2.148 35 K HA -0.112 4.207 4.320 -0.001 0.000 0.204 35 K C 2.056 178.657 176.600 0.002 0.000 1.050 35 K CA 1.119 57.411 56.287 0.008 0.000 0.942 35 K CB -0.139 32.366 32.500 0.009 0.000 0.724 35 K HN 0.275 8.525 8.250 -0.000 0.000 0.446 36 I N 1.247 121.811 120.570 -0.009 0.000 2.179 36 I HA -0.282 3.888 4.170 -0.001 0.000 0.242 36 I C 2.327 178.428 176.117 -0.025 0.000 1.088 36 I CA 1.279 62.572 61.300 -0.011 0.000 1.357 36 I CB -0.187 37.802 38.000 -0.019 0.000 1.051 36 I HN 0.118 8.328 8.210 -0.000 0.000 0.409 37 I N 0.564 121.105 120.570 -0.049 0.000 2.286 37 I HA -0.311 3.858 4.170 -0.001 0.000 0.248 37 I C 2.012 178.065 176.117 -0.106 0.000 1.115 37 I CA 1.371 62.618 61.300 -0.088 0.000 1.392 37 I CB -0.456 37.481 38.000 -0.105 0.000 1.065 37 I HN 0.270 8.479 8.210 -0.000 0.000 0.418 38 D N 0.352 120.724 120.400 -0.046 0.000 2.097 38 D HA -0.140 4.500 4.640 -0.001 0.000 0.197 38 D C 2.162 178.464 176.300 0.004 0.000 0.984 38 D CA 1.490 55.490 54.000 0.000 0.000 0.826 38 D CB -0.443 40.415 40.800 0.096 0.000 0.973 38 D HN 0.199 8.569 8.370 -0.000 0.000 0.460 39 T N 1.090 115.651 114.554 0.011 0.000 2.881 39 T HA -0.059 4.290 4.350 -0.001 0.000 0.270 39 T C 2.103 176.815 174.700 0.020 0.000 1.068 39 T CA 0.494 62.607 62.100 0.022 0.000 1.131 39 T CB -0.141 68.743 68.868 0.027 0.000 0.871 39 T HN 0.134 8.374 8.240 -0.000 0.000 0.479 40 L N -0.105 121.119 121.223 0.001 0.000 2.109 40 L HA 0.043 4.382 4.340 -0.001 0.000 0.207 40 L C 2.362 179.228 176.870 -0.006 0.000 1.086 40 L CA 1.057 55.904 54.840 0.013 0.000 0.760 40 L CB -0.474 41.578 42.059 -0.013 0.000 0.910 40 L HN 0.256 8.486 8.230 -0.000 0.000 0.437 41 I N -0.183 120.350 120.570 -0.061 0.000 2.252 41 I HA -0.293 3.877 4.170 -0.001 0.000 0.245 41 I C 2.467 178.582 176.117 -0.003 0.000 1.102 41 I CA 1.335 62.591 61.300 -0.075 0.000 1.385 41 I CB -0.348 37.515 38.000 -0.228 0.000 1.064 41 I HN 0.399 8.609 8.210 -0.000 0.000 0.414 42 D N 1.549 121.960 120.400 0.018 0.000 2.103 42 D HA -0.266 4.373 4.640 -0.001 0.000 0.190 42 D C 2.089 178.408 176.300 0.032 0.000 0.997 42 D CA 2.059 56.081 54.000 0.036 0.000 0.833 42 D CB 0.155 40.980 40.800 0.040 0.000 0.961 42 D HN 0.332 8.702 8.370 -0.000 0.000 0.447 43 A N -0.542 122.299 122.820 0.036 0.000 2.067 43 A HA 0.164 4.483 4.320 -0.001 0.000 0.219 43 A C 1.937 179.547 177.584 0.043 0.000 1.158 43 A CA 2.078 54.139 52.037 0.039 0.000 0.661 43 A CB -0.140 18.892 19.000 0.053 0.000 0.801 43 A HN 0.585 8.735 8.150 -0.000 0.000 0.452 44 G N -3.168 105.667 108.800 0.059 0.000 4.106 44 G HA2 0.360 4.320 3.960 -0.001 0.000 0.220 44 G HA3 0.360 4.320 3.960 -0.001 0.000 0.220 44 G C 0.184 175.153 174.900 0.115 0.000 0.853 44 G CA 0.127 45.272 45.100 0.075 0.000 0.920 44 G HN 1.090 9.380 8.290 -0.000 0.000 0.715 45 A N 0.796 123.663 122.820 0.078 0.000 2.484 45 A HA 0.515 4.834 4.320 -0.001 0.000 0.268 45 A C 1.038 178.612 177.584 -0.017 0.000 1.114 45 A CA 0.715 52.769 52.037 0.028 0.000 0.780 45 A CB 0.222 19.194 19.000 -0.047 0.000 1.061 45 A HN 0.113 8.263 8.150 -0.000 0.000 0.505 46 D N 1.396 121.787 120.400 -0.015 0.000 2.183 46 D HA 0.267 4.907 4.640 -0.001 0.000 0.203 46 D C 0.961 177.197 176.300 -0.108 0.000 0.969 46 D CA 2.141 56.114 54.000 -0.045 0.000 0.842 46 D CB 0.149 40.941 40.800 -0.013 0.000 0.957 46 D HN 0.786 9.156 8.370 -0.000 0.000 0.484 47 A N -1.033 121.710 122.820 -0.129 0.000 2.515 47 A HA 0.711 5.030 4.320 -0.001 0.000 0.299 47 A C -1.857 175.653 177.584 -0.122 0.000 1.179 47 A CA -0.678 51.277 52.037 -0.137 0.000 0.656 47 A CB 0.845 19.778 19.000 -0.112 0.000 1.306 47 A HN 0.014 8.164 8.150 -0.000 0.000 0.459 48 L N 0.496 121.671 121.223 -0.081 0.000 2.431 48 L HA 0.515 4.854 4.340 -0.001 0.000 0.266 48 L C -0.941 175.932 176.870 0.005 0.000 0.978 48 L CA -0.682 54.112 54.840 -0.077 0.000 0.822 48 L CB 2.126 44.119 42.059 -0.110 0.000 1.310 48 L HN 0.646 8.876 8.230 -0.000 0.000 0.409 49 E N 4.159 124.371 120.200 0.021 0.000 2.133 49 E HA 0.588 4.937 4.350 -0.001 0.000 0.274 49 E C -1.155 175.354 176.600 -0.152 0.000 0.930 49 E CA -0.405 56.075 56.400 0.133 0.000 0.770 49 E CB 2.417 32.370 29.700 0.421 0.000 1.104 49 E HN 0.414 8.774 8.360 -0.000 0.000 0.403 50 L N 1.258 122.380 121.223 -0.168 0.000 2.362 50 L HA 0.628 4.967 4.340 -0.001 0.000 0.271 50 L C 0.539 177.239 176.870 -0.284 0.000 1.002 50 L CA -1.103 53.504 54.840 -0.389 0.000 0.818 50 L CB 2.252 44.172 42.059 -0.231 0.000 1.298 50 L HN 0.463 8.693 8.230 -0.000 0.000 0.420 51 G N 1.336 109.904 108.800 -0.388 0.000 2.388 51 G HA2 0.568 4.527 3.960 -0.001 0.000 0.330 51 G HA3 0.568 4.527 3.960 -0.001 0.000 0.330 51 G C -0.912 173.943 174.900 -0.076 0.000 1.142 51 G CA -0.403 44.674 45.100 -0.037 0.000 0.908 51 G HN 0.263 8.553 8.290 -0.000 0.000 0.473 52 V N 4.200 124.098 119.914 -0.025 0.000 2.383 52 V HA 0.286 4.405 4.120 -0.001 0.000 0.275 52 V C -1.667 174.435 176.094 0.014 0.000 1.036 52 V CA -1.426 60.849 62.300 -0.041 0.000 0.889 52 V CB 1.442 33.251 31.823 -0.024 0.000 0.985 52 V HN 0.673 8.863 8.190 -0.000 0.000 0.459 53 P HA 0.092 4.512 4.420 -0.000 0.000 0.266 53 P C -0.868 176.515 177.300 0.138 0.000 1.215 53 P CA 0.067 63.065 63.100 -0.171 0.000 0.763 53 P CB 0.394 31.674 31.700 -0.701 0.000 0.806 54 F N 2.937 122.976 119.950 0.148 0.000 2.432 54 F HA 0.251 4.778 4.527 -0.001 0.000 0.329 54 F C 1.729 177.758 175.800 0.381 0.000 1.076 54 F CA -0.913 57.239 58.000 0.253 0.000 1.018 54 F CB 1.620 40.684 39.000 0.106 0.000 1.201 54 F HN 0.330 8.630 8.300 -0.000 0.000 0.489 55 S N 0.724 116.287 115.700 -0.229 0.000 2.355 55 S HA -0.049 4.420 4.470 -0.001 0.000 0.222 55 S C 0.210 174.501 174.600 -0.514 0.000 1.031 55 S CA 1.118 59.065 58.200 -0.422 0.000 0.993 55 S CB -0.265 62.581 63.200 -0.590 0.000 0.859 55 S HN 0.636 8.946 8.310 -0.000 0.000 0.453 56 D N 3.484 123.273 120.400 -1.018 0.000 2.514 56 D HA 0.266 4.906 4.640 -0.001 0.000 0.267 56 D C -2.717 173.372 176.300 -0.352 0.000 1.165 56 D CA -1.469 52.192 54.000 -0.565 0.000 0.958 56 D CB 1.179 41.652 40.800 -0.545 0.000 0.992 56 D HN 0.340 8.710 8.370 -0.000 0.000 0.506 57 P HA 0.007 4.427 4.420 -0.000 0.000 0.252 57 P C 1.271 178.506 177.300 -0.108 0.000 1.694 57 P CA -0.357 62.620 63.100 -0.203 0.000 1.163 57 P CB 0.424 32.154 31.700 0.050 0.000 1.934 58 L N 2.421 123.534 121.223 -0.184 0.000 2.137 58 L HA -0.210 4.129 4.340 -0.001 0.000 0.213 58 L C 2.041 178.987 176.870 0.128 0.000 1.085 58 L CA 2.346 57.196 54.840 0.016 0.000 0.760 58 L CB -0.805 41.297 42.059 0.071 0.000 0.893 58 L HN 0.281 8.511 8.230 -0.000 0.000 0.434 59 A N -2.382 120.591 122.820 0.256 0.000 2.630 59 A HA 0.248 4.568 4.320 -0.001 0.000 0.290 59 A C -0.199 177.444 177.584 0.099 0.000 1.267 59 A CA -0.365 51.790 52.037 0.197 0.000 0.950 59 A CB -0.240 18.900 19.000 0.233 0.000 1.144 59 A HN 0.155 8.305 8.150 -0.000 0.000 0.527 60 D N -0.102 120.340 120.400 0.069 0.000 2.498 60 D HA 0.460 5.099 4.640 -0.001 0.000 0.247 60 D C 0.483 176.766 176.300 -0.028 0.000 1.070 60 D CA -0.006 53.984 54.000 -0.016 0.000 0.842 60 D CB 2.149 42.970 40.800 0.036 0.000 1.361 60 D HN 0.248 8.618 8.370 -0.000 0.000 0.484 61 G N 1.408 110.163 108.800 -0.075 0.000 2.553 61 G HA2 0.200 4.160 3.960 -0.001 0.000 0.278 61 G HA3 0.200 4.160 3.960 -0.001 0.000 0.278 61 G C -1.726 173.156 174.900 -0.031 0.000 1.349 61 G CA -0.582 44.489 45.100 -0.049 0.000 1.037 61 G HN 0.231 8.521 8.290 -0.000 0.000 0.508 62 P HA -0.001 4.419 4.420 -0.000 0.000 0.216 62 P C 2.072 179.369 177.300 -0.005 0.000 1.153 62 P CA 1.828 64.922 63.100 -0.009 0.000 0.844 62 P CB -0.000 31.695 31.700 -0.008 0.000 0.787 63 T N 0.088 114.634 114.554 -0.014 0.000 2.684 63 T HA -0.149 4.201 4.350 -0.001 0.000 0.267 63 T C 1.721 176.428 174.700 0.013 0.000 1.036 63 T CA 1.207 63.304 62.100 -0.005 0.000 1.148 63 T CB -0.873 67.986 68.868 -0.015 0.000 0.863 63 T HN -0.036 8.204 8.240 -0.000 0.000 0.436 64 I N 1.635 122.209 120.570 0.008 0.000 2.233 64 I HA -0.109 4.061 4.170 -0.001 0.000 0.243 64 I C 2.666 178.815 176.117 0.054 0.000 1.093 64 I CA 1.274 62.600 61.300 0.044 0.000 1.380 64 I CB -1.419 36.588 38.000 0.011 0.000 1.067 64 I HN 0.342 8.552 8.210 -0.000 0.000 0.413 65 Q N 0.974 120.797 119.800 0.039 0.000 2.112 65 Q HA -0.251 4.088 4.340 -0.001 0.000 0.206 65 Q C 1.945 177.980 176.000 0.058 0.000 0.987 65 Q CA 2.242 58.076 55.803 0.051 0.000 0.858 65 Q CB -0.317 28.438 28.738 0.028 0.000 0.905 65 Q HN 0.643 8.913 8.270 -0.000 0.000 0.420 66 N N 0.170 118.894 118.700 0.040 0.000 2.270 66 N HA -0.083 4.656 4.740 -0.001 0.000 0.181 66 N C 1.703 177.237 175.510 0.040 0.000 1.016 66 N CA 0.761 53.835 53.050 0.039 0.000 0.870 66 N CB -0.133 38.368 38.487 0.023 0.000 0.979 66 N HN 0.201 8.581 8.380 -0.000 0.000 0.431 67 A N 1.769 124.609 122.820 0.034 0.000 1.883 67 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 67 A C 1.937 179.517 177.584 -0.008 0.000 1.186 67 A CA 1.581 53.630 52.037 0.020 0.000 0.624 67 A CB -0.587 18.438 19.000 0.041 0.000 0.822 67 A HN 0.194 8.344 8.150 -0.000 0.000 0.444 68 N N -0.027 118.674 118.700 0.002 0.000 2.061 68 N HA -0.141 4.598 4.740 -0.001 0.000 0.193 68 N C 1.394 176.900 175.510 -0.007 0.000 1.030 68 N CA 1.431 54.430 53.050 -0.085 0.000 0.856 68 N CB -0.509 38.011 38.487 0.055 0.000 1.023 68 N HN 0.310 8.690 8.380 -0.000 0.000 0.424 69 L N 1.318 122.644 121.223 0.172 0.000 2.093 69 L HA -0.014 4.325 4.340 -0.001 0.000 0.208 69 L C 2.179 179.138 176.870 0.149 0.000 1.085 69 L CA 1.250 56.244 54.840 0.256 0.000 0.755 69 L CB -0.859 41.292 42.059 0.154 0.000 0.904 69 L HN 0.177 8.407 8.230 -0.000 0.000 0.435 70 R N -0.522 120.016 120.500 0.063 0.000 2.091 70 R HA -0.146 4.193 4.340 -0.001 0.000 0.238 70 R C 2.233 178.543 176.300 0.015 0.000 1.136 70 R CA 1.410 57.530 56.100 0.034 0.000 0.959 70 R CB -0.625 29.681 30.300 0.010 0.000 0.856 70 R HN 0.369 8.639 8.270 -0.000 0.000 0.437 71 A N 1.151 123.941 122.820 -0.050 0.000 1.858 71 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 71 A C 1.949 179.496 177.584 -0.061 0.000 1.190 71 A CA 1.279 53.245 52.037 -0.118 0.000 0.617 71 A CB -0.671 18.164 19.000 -0.275 0.000 0.827 71 A HN 0.170 8.320 8.150 -0.000 0.000 0.443 72 F N 0.252 120.213 119.950 0.018 0.000 2.126 72 F HA -0.128 4.398 4.527 -0.001 0.000 0.299 72 F C 2.807 178.612 175.800 0.009 0.000 1.096 72 F CA 0.829 58.837 58.000 0.014 0.000 1.255 72 F CB -0.807 38.198 39.000 0.007 0.000 0.997 72 F HN 0.260 8.560 8.300 -0.000 0.000 0.479 73 A N -0.339 122.600 122.820 0.199 0.000 1.969 73 A HA 0.063 4.383 4.320 -0.001 0.000 0.218 73 A C 2.293 179.922 177.584 0.075 0.000 1.169 73 A CA 1.326 53.429 52.037 0.109 0.000 0.635 73 A CB -1.140 17.906 19.000 0.076 0.000 0.810 73 A HN 0.262 8.412 8.150 -0.000 0.000 0.445 74 A N -1.500 121.356 122.820 0.060 0.000 2.209 74 A HA 0.380 4.699 4.320 -0.001 0.000 0.212 74 A C 1.726 179.337 177.584 0.045 0.000 1.158 74 A CA 1.239 53.298 52.037 0.037 0.000 0.742 74 A CB -0.982 18.026 19.000 0.014 0.000 0.790 74 A HN 1.905 10.055 8.150 -0.000 0.000 0.472 75 G N -1.311 107.534 108.800 0.074 0.000 2.171 75 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.238 75 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.238 75 G C -0.035 174.912 174.900 0.078 0.000 1.039 75 G CA 0.016 45.166 45.100 0.083 0.000 0.759 75 G HN 0.800 9.090 8.290 -0.000 0.000 0.501 76 V N 1.902 121.856 119.914 0.066 0.000 2.432 76 V HA 0.617 4.736 4.120 -0.001 0.000 0.271 76 V C 1.136 177.273 176.094 0.072 0.000 1.046 76 V CA 0.414 62.733 62.300 0.031 0.000 0.945 76 V CB 0.911 32.709 31.823 -0.042 0.000 0.992 76 V HN 0.732 8.922 8.190 -0.000 0.000 0.471 77 T N 3.066 117.672 114.554 0.087 0.000 2.937 77 T HA 0.444 4.794 4.350 -0.001 0.000 0.283 77 T C -1.878 172.891 174.700 0.116 0.000 1.012 77 T CA -2.137 60.039 62.100 0.127 0.000 0.997 77 T CB 1.666 70.609 68.868 0.126 0.000 1.136 77 T HN 0.329 8.569 8.240 -0.000 0.000 0.551 78 P HA -0.117 4.303 4.420 -0.000 0.000 0.217 78 P C 1.474 178.950 177.300 0.292 0.000 1.148 78 P CA 1.616 64.842 63.100 0.210 0.000 0.834 78 P CB -0.254 31.605 31.700 0.265 0.000 0.783 79 A N -0.926 122.031 122.820 0.227 0.000 1.898 79 A HA -0.198 4.122 4.320 -0.001 0.000 0.214 79 A C 2.280 179.968 177.584 0.173 0.000 1.183 79 A CA 1.362 53.529 52.037 0.218 0.000 0.622 79 A CB -1.206 17.871 19.000 0.129 0.000 0.824 79 A HN 0.126 8.276 8.150 -0.000 0.000 0.444 80 Q N -0.986 118.881 119.800 0.111 0.000 2.170 80 Q HA -0.158 4.181 4.340 -0.001 0.000 0.203 80 Q C 2.172 178.198 176.000 0.043 0.000 0.976 80 Q CA 1.650 57.495 55.803 0.069 0.000 0.858 80 Q CB -0.484 28.281 28.738 0.045 0.000 0.907 80 Q HN 0.760 9.030 8.270 -0.000 0.000 0.433 81 C N -0.544 118.767 119.300 0.019 0.000 2.413 81 C HA -0.158 4.302 4.460 -0.001 0.000 0.278 81 C C 2.200 177.116 174.990 -0.123 0.000 1.224 81 C CA 0.720 59.683 59.018 -0.092 0.000 1.732 81 C CB -1.094 26.543 27.740 -0.171 0.000 2.050 81 C HN 0.520 8.750 8.230 -0.000 0.000 0.463 82 F N 1.754 121.711 119.950 0.013 0.000 2.126 82 F HA -0.200 4.326 4.527 -0.001 0.000 0.299 82 F C 2.411 178.207 175.800 -0.007 0.000 1.096 82 F CA 2.074 60.072 58.000 -0.004 0.000 1.255 82 F CB -0.549 38.445 39.000 -0.010 0.000 0.997 82 F HN 0.410 8.710 8.300 -0.000 0.000 0.479 83 E N 0.970 121.283 120.200 0.189 0.000 2.150 83 E HA -0.228 4.121 4.350 -0.001 0.000 0.193 83 E C 1.906 178.541 176.600 0.058 0.000 0.985 83 E CA 1.736 58.199 56.400 0.105 0.000 0.814 83 E CB -0.745 29.002 29.700 0.079 0.000 0.752 83 E HN 0.574 8.934 8.360 -0.000 0.000 0.466 84 M N -0.273 119.344 119.600 0.028 0.000 2.447 84 M HA 0.145 4.624 4.480 -0.001 0.000 0.264 84 M C 1.936 178.231 176.300 -0.008 0.000 1.095 84 M CA 0.967 56.269 55.300 0.003 0.000 1.125 84 M CB -0.278 32.311 32.600 -0.019 0.000 1.389 84 M HN 0.064 8.354 8.290 -0.000 0.000 0.459 85 L N 1.361 122.570 121.223 -0.022 0.000 2.083 85 L HA -0.092 4.248 4.340 -0.001 0.000 0.209 85 L C 3.046 179.927 176.870 0.017 0.000 1.083 85 L CA 1.283 56.105 54.840 -0.030 0.000 0.752 85 L CB -0.716 41.300 42.059 -0.071 0.000 0.899 85 L HN 0.460 8.690 8.230 -0.000 0.000 0.433 86 A N -0.552 122.297 122.820 0.048 0.000 2.014 86 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 86 A C 2.223 179.827 177.584 0.032 0.000 1.163 86 A CA 1.036 53.101 52.037 0.046 0.000 0.652 86 A CB -0.444 18.590 19.000 0.056 0.000 0.808 86 A HN 0.348 8.498 8.150 -0.000 0.000 0.449 87 L N 0.143 121.384 121.223 0.029 0.000 2.109 87 L HA -0.076 4.263 4.340 -0.001 0.000 0.207 87 L C 2.369 179.262 176.870 0.038 0.000 1.086 87 L CA 1.306 56.161 54.840 0.025 0.000 0.760 87 L CB -0.213 41.858 42.059 0.021 0.000 0.910 87 L HN 0.638 8.868 8.230 -0.000 0.000 0.437 88 I N -3.778 116.822 120.570 0.050 0.000 2.876 88 I HA -0.088 4.081 4.170 -0.001 0.000 0.264 88 I C 2.495 178.688 176.117 0.126 0.000 1.204 88 I CA 0.514 61.881 61.300 0.112 0.000 1.485 88 I CB -0.414 37.624 38.000 0.063 0.000 1.103 88 I HN 0.105 8.315 8.210 -0.000 0.000 0.446 89 R N 2.174 122.710 120.500 0.060 0.000 2.090 89 R HA -0.132 4.208 4.340 -0.001 0.000 0.228 89 R C 2.097 178.415 176.300 0.030 0.000 1.110 89 R CA 1.679 57.807 56.100 0.046 0.000 0.973 89 R CB -0.711 29.605 30.300 0.026 0.000 0.869 89 R HN 0.559 8.829 8.270 -0.000 0.000 0.440 90 E N 0.619 120.829 120.200 0.018 0.000 2.267 90 E HA -0.201 4.148 4.350 -0.001 0.000 0.197 90 E C 0.432 177.007 176.600 -0.041 0.000 0.998 90 E CA 1.511 57.907 56.400 -0.007 0.000 0.830 90 E CB 0.111 29.809 29.700 -0.003 0.000 0.751 90 E HN 0.546 8.906 8.360 -0.000 0.000 0.491 91 K N -1.464 118.895 120.400 -0.069 0.000 2.469 91 K HA 0.139 4.458 4.320 -0.001 0.000 0.204 91 K C -0.280 176.057 176.600 -0.439 0.000 1.047 91 K CA -0.256 55.894 56.287 -0.229 0.000 1.072 91 K CB 0.589 32.925 32.500 -0.273 0.000 0.863 91 K HN 0.014 8.264 8.250 -0.000 0.000 0.530 92 H N 1.460 120.514 119.070 -0.026 0.000 2.643 92 H HA 0.131 4.687 4.556 -0.001 0.000 0.229 92 H C -2.469 172.835 175.328 -0.040 0.000 1.410 92 H CA -1.180 54.849 56.048 -0.033 0.000 1.458 92 H CB 1.638 31.378 29.762 -0.037 0.000 1.792 92 H HN 0.080 8.360 8.280 -0.000 0.000 0.563 93 P HA -0.038 4.382 4.420 -0.000 0.000 0.249 93 P C 1.223 178.516 177.300 -0.012 0.000 1.229 93 P CA 0.517 63.620 63.100 0.005 0.000 0.788 93 P CB 0.226 31.920 31.700 -0.011 0.000 1.072 94 T N -1.611 112.938 114.554 -0.009 0.000 2.939 94 T HA 0.069 4.418 4.350 -0.001 0.000 0.254 94 T C 1.253 175.905 174.700 -0.081 0.000 1.041 94 T CA -0.018 62.059 62.100 -0.039 0.000 1.142 94 T CB -0.605 68.247 68.868 -0.026 0.000 0.874 94 T HN -0.113 8.127 8.240 -0.000 0.000 0.452 95 I N 3.056 123.585 120.570 -0.068 0.000 2.683 95 I HA 0.251 4.420 4.170 -0.001 0.000 0.286 95 I C -2.872 173.135 176.117 -0.183 0.000 1.175 95 I CA -3.334 57.895 61.300 -0.119 0.000 1.429 95 I CB -0.901 37.035 38.000 -0.106 0.000 1.371 95 I HN -0.007 8.203 8.210 -0.000 0.000 0.569 96 P HA 0.302 4.722 4.420 -0.000 0.000 0.276 96 P C -0.312 176.849 177.300 -0.230 0.000 1.243 96 P CA -0.130 62.694 63.100 -0.461 0.000 0.768 96 P CB 0.500 31.601 31.700 -0.998 0.000 0.856 97 I N 0.532 121.026 120.570 -0.125 0.000 2.378 97 I HA 0.793 4.963 4.170 -0.001 0.000 0.291 97 I C 0.066 176.243 176.117 0.099 0.000 0.992 97 I CA -0.838 60.450 61.300 -0.019 0.000 1.154 97 I CB 2.220 40.197 38.000 -0.039 0.000 1.315 97 I HN 0.250 8.460 8.210 -0.000 0.000 0.448 98 G N 6.665 115.575 108.800 0.183 0.000 2.416 98 G HA2 0.663 4.622 3.960 -0.001 0.000 0.329 98 G HA3 0.663 4.622 3.960 -0.001 0.000 0.329 98 G C -1.038 173.954 174.900 0.153 0.000 1.173 98 G CA -0.817 44.440 45.100 0.262 0.000 0.929 98 G HN 0.617 8.907 8.290 -0.000 0.000 0.475 99 L N 2.108 123.413 121.223 0.137 0.000 2.307 99 L HA 0.452 4.791 4.340 -0.001 0.000 0.284 99 L C -0.299 176.630 176.870 0.098 0.000 1.023 99 L CA -0.851 54.042 54.840 0.089 0.000 0.810 99 L CB 1.874 43.989 42.059 0.093 0.000 1.231 99 L HN 0.194 8.424 8.230 -0.000 0.000 0.423 100 L N 5.174 126.453 121.223 0.093 0.000 2.280 100 L HA 0.513 4.852 4.340 -0.001 0.000 0.287 100 L C -0.836 175.999 176.870 -0.058 0.000 1.023 100 L CA -0.267 54.599 54.840 0.042 0.000 0.819 100 L CB 1.331 43.508 42.059 0.196 0.000 1.212 100 L HN 0.637 8.867 8.230 -0.000 0.000 0.420 101 M N 4.278 123.759 119.600 -0.198 0.000 2.716 101 M HA 0.418 4.898 4.480 -0.001 0.000 0.307 101 M C -1.259 174.701 176.300 -0.567 0.000 1.223 101 M CA -0.558 54.574 55.300 -0.280 0.000 0.871 101 M CB 1.922 34.387 32.600 -0.224 0.000 1.739 101 M HN 0.290 8.580 8.290 -0.000 0.000 0.475 102 Y N -0.599 119.484 120.300 -0.362 0.000 2.377 102 Y HA 0.503 5.053 4.550 -0.001 0.000 0.339 102 Y C 1.260 176.859 175.900 -0.501 0.000 1.011 102 Y CA -0.317 57.492 58.100 -0.485 0.000 1.093 102 Y CB 1.624 39.577 38.460 -0.845 0.000 1.201 102 Y HN 0.892 9.172 8.280 -0.000 0.000 0.455 103 A N 2.437 125.124 122.820 -0.221 0.000 1.985 103 A HA -0.319 4.001 4.320 -0.001 0.000 0.223 103 A C 2.095 179.630 177.584 -0.082 0.000 1.189 103 A CA 2.525 54.464 52.037 -0.164 0.000 0.658 103 A CB -0.626 18.275 19.000 -0.165 0.000 0.820 103 A HN 0.960 9.110 8.150 -0.000 0.000 0.464 104 N N -0.426 118.187 118.700 -0.144 0.000 2.188 104 N HA -0.074 4.665 4.740 -0.001 0.000 0.184 104 N C 1.732 177.241 175.510 -0.003 0.000 1.018 104 N CA 1.259 54.316 53.050 0.011 0.000 0.858 104 N CB -0.142 38.442 38.487 0.162 0.000 0.989 104 N HN 0.553 8.933 8.380 -0.000 0.000 0.426 105 L N 0.543 121.655 121.223 -0.186 0.000 2.141 105 L HA -0.104 4.235 4.340 -0.001 0.000 0.209 105 L C 2.338 179.017 176.870 -0.319 0.000 1.094 105 L CA 0.506 55.253 54.840 -0.156 0.000 0.763 105 L CB -0.226 41.721 42.059 -0.187 0.000 0.908 105 L HN 0.032 8.262 8.230 -0.000 0.000 0.437 106 V N -0.607 119.028 119.914 -0.464 0.000 2.283 106 V HA -0.289 3.831 4.120 -0.001 0.000 0.243 106 V C 2.193 178.173 176.094 -0.191 0.000 1.039 106 V CA 1.816 63.696 62.300 -0.701 0.000 1.016 106 V CB -0.475 31.082 31.823 -0.444 0.000 0.650 106 V HN 0.305 8.495 8.190 -0.000 0.000 0.449 107 F N 1.486 121.368 119.950 -0.114 0.000 2.216 107 F HA -0.170 4.356 4.527 -0.001 0.000 0.300 107 F C 2.224 178.002 175.800 -0.036 0.000 1.085 107 F CA 1.758 59.735 58.000 -0.038 0.000 1.326 107 F CB -0.373 38.652 39.000 0.042 0.000 1.027 107 F HN 0.233 8.533 8.300 -0.000 0.000 0.497 108 N N 1.371 120.130 118.700 0.099 0.000 2.027 108 N HA -0.334 4.405 4.740 -0.001 0.000 0.200 108 N C 1.269 176.747 175.510 -0.053 0.000 1.042 108 N CA 2.376 55.458 53.050 0.055 0.000 0.871 108 N CB -0.900 37.635 38.487 0.079 0.000 1.063 108 N HN 0.605 8.985 8.380 -0.000 0.000 0.438 109 N N -1.264 117.406 118.700 -0.049 0.000 2.449 109 N HA 0.139 4.878 4.740 -0.001 0.000 0.191 109 N C -0.039 175.398 175.510 -0.121 0.000 1.161 109 N CA 0.289 53.304 53.050 -0.057 0.000 0.863 109 N CB 0.181 38.665 38.487 -0.005 0.000 0.980 109 N HN 0.347 8.727 8.380 -0.000 0.000 0.458 110 G N 0.668 109.331 108.800 -0.228 0.000 3.225 110 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.686 110 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.686 110 G C 0.206 174.985 174.900 -0.202 0.000 1.105 110 G CA -0.530 44.412 45.100 -0.263 0.000 0.831 110 G HN 0.153 8.443 8.290 -0.000 0.000 0.578 111 I N 1.057 121.474 120.570 -0.256 0.000 2.142 111 I HA -0.130 4.039 4.170 -0.001 0.000 0.240 111 I C 2.450 178.539 176.117 -0.046 0.000 1.078 111 I CA 2.002 63.200 61.300 -0.169 0.000 1.343 111 I CB -0.232 37.603 38.000 -0.275 0.000 1.046 111 I HN 0.752 8.962 8.210 -0.000 0.000 0.405 112 D N 0.791 121.180 120.400 -0.020 0.000 2.149 112 D HA -0.183 4.456 4.640 -0.001 0.000 0.198 112 D C 2.110 178.355 176.300 -0.093 0.000 0.990 112 D CA 1.326 55.340 54.000 0.022 0.000 0.839 112 D CB 0.076 40.904 40.800 0.046 0.000 0.948 112 D HN 0.339 8.709 8.370 -0.000 0.000 0.460 113 A N -0.776 121.996 122.820 -0.080 0.000 2.067 113 A HA -0.081 4.239 4.320 -0.001 0.000 0.219 113 A C 1.879 179.386 177.584 -0.128 0.000 1.158 113 A CA 0.672 52.651 52.037 -0.098 0.000 0.661 113 A CB -0.837 18.117 19.000 -0.077 0.000 0.801 113 A HN 0.441 8.591 8.150 -0.000 0.000 0.452 114 F N -0.858 118.933 119.950 -0.266 0.000 2.149 114 F HA -0.038 4.488 4.527 -0.001 0.000 0.294 114 F C 1.998 177.617 175.800 -0.303 0.000 1.095 114 F CA 1.192 59.009 58.000 -0.306 0.000 1.276 114 F CB -0.418 38.345 39.000 -0.395 0.000 1.023 114 F HN 0.265 8.565 8.300 -0.000 0.000 0.480 115 Y N 0.587 120.751 120.300 -0.228 0.000 2.181 115 Y HA -0.122 4.427 4.550 -0.001 0.000 0.288 115 Y C 2.680 178.310 175.900 -0.451 0.000 1.146 115 Y CA 1.179 59.071 58.100 -0.347 0.000 1.164 115 Y CB -1.464 36.822 38.460 -0.291 0.000 0.982 115 Y HN 0.161 8.441 8.280 -0.000 0.000 0.515 116 A N -0.067 122.488 122.820 -0.442 0.000 1.940 116 A HA -0.249 4.070 4.320 -0.001 0.000 0.219 116 A C 2.340 179.822 177.584 -0.170 0.000 1.176 116 A CA 1.956 53.891 52.037 -0.169 0.000 0.631 116 A CB -0.682 18.277 19.000 -0.069 0.000 0.814 116 A HN 0.437 8.587 8.150 -0.000 0.000 0.446 117 R N -1.219 119.072 120.500 -0.348 0.000 2.115 117 R HA -0.076 4.263 4.340 -0.001 0.000 0.226 117 R C 2.118 178.209 176.300 -0.348 0.000 1.100 117 R CA 1.340 57.157 56.100 -0.471 0.000 0.980 117 R CB -0.526 29.260 30.300 -0.856 0.000 0.875 117 R HN 0.584 8.854 8.270 -0.000 0.000 0.445 118 C N 0.429 119.562 119.300 -0.278 0.000 2.442 118 C HA -0.095 4.364 4.460 -0.001 0.000 0.279 118 C C 2.467 177.478 174.990 0.035 0.000 1.237 118 C CA 1.113 60.124 59.018 -0.013 0.000 1.722 118 C CB -0.706 26.978 27.740 -0.093 0.000 2.056 118 C HN 0.623 8.853 8.230 -0.000 0.000 0.469 119 E N 0.124 120.340 120.200 0.028 0.000 2.035 119 E HA -0.331 4.019 4.350 -0.001 0.000 0.204 119 E C 2.212 178.836 176.600 0.039 0.000 1.025 119 E CA 1.679 58.117 56.400 0.064 0.000 0.835 119 E CB -0.361 29.409 29.700 0.117 0.000 0.764 119 E HN 0.430 8.790 8.360 -0.000 0.000 0.457 120 Q N 0.248 120.055 119.800 0.011 0.000 2.197 120 Q HA -0.170 4.169 4.340 -0.001 0.000 0.211 120 Q C 2.102 178.111 176.000 0.016 0.000 0.993 120 Q CA 1.604 57.406 55.803 -0.003 0.000 0.883 120 Q CB -0.315 28.393 28.738 -0.049 0.000 0.916 120 Q HN 0.321 8.591 8.270 -0.000 0.000 0.418 121 V N -1.644 118.297 119.914 0.046 0.000 3.354 121 V HA 0.137 4.256 4.120 -0.001 0.000 0.258 121 V C 1.163 177.296 176.094 0.064 0.000 1.159 121 V CA 0.953 63.304 62.300 0.085 0.000 1.125 121 V CB 0.399 32.353 31.823 0.220 0.000 0.774 121 V HN 0.516 8.706 8.190 -0.000 0.000 0.464 122 G N 0.195 109.026 108.800 0.053 0.000 2.173 122 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.174 122 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.174 122 G C -0.131 174.790 174.900 0.034 0.000 1.025 122 G CA -0.046 45.075 45.100 0.035 0.000 0.706 122 G HN 0.263 8.553 8.290 -0.000 0.000 0.499 123 V N 0.799 120.747 119.914 0.057 0.000 2.481 123 V HA 0.368 4.488 4.120 -0.001 0.000 0.286 123 V C 1.016 177.164 176.094 0.089 0.000 1.042 123 V CA -0.037 62.302 62.300 0.065 0.000 0.928 123 V CB 1.586 33.457 31.823 0.079 0.000 0.986 123 V HN 0.323 8.513 8.190 -0.000 0.000 0.462 124 D N 1.926 122.386 120.400 0.100 0.000 2.201 124 D HA 0.043 4.683 4.640 -0.001 0.000 0.209 124 D C 0.706 177.185 176.300 0.299 0.000 0.961 124 D CA 0.998 55.095 54.000 0.162 0.000 0.861 124 D CB 0.616 41.438 40.800 0.037 0.000 0.997 124 D HN 0.649 9.019 8.370 -0.000 0.000 0.486 125 S N -0.389 115.503 115.700 0.320 0.000 2.588 125 S HA 0.593 5.062 4.470 -0.001 0.000 0.275 125 S C -0.880 173.843 174.600 0.205 0.000 1.130 125 S CA -0.840 57.514 58.200 0.256 0.000 0.855 125 S CB 2.748 66.095 63.200 0.245 0.000 1.116 125 S HN -0.141 8.169 8.310 -0.000 0.000 0.472 126 V N 2.180 122.196 119.914 0.169 0.000 2.483 126 V HA 0.471 4.590 4.120 -0.001 0.000 0.297 126 V C -0.792 175.324 176.094 0.036 0.000 1.027 126 V CA -0.618 61.797 62.300 0.193 0.000 0.855 126 V CB 1.534 33.623 31.823 0.444 0.000 0.995 126 V HN 0.920 9.110 8.190 -0.000 0.000 0.424 127 L N 5.819 127.027 121.223 -0.025 0.000 2.262 127 L HA 0.535 4.875 4.340 -0.001 0.000 0.288 127 L C -0.618 176.126 176.870 -0.209 0.000 1.035 127 L CA -0.495 54.248 54.840 -0.162 0.000 0.820 127 L CB 1.492 43.463 42.059 -0.148 0.000 1.204 127 L HN 0.471 8.701 8.230 -0.000 0.000 0.424 128 V N 5.424 125.167 119.914 -0.286 0.000 2.334 128 V HA 0.173 4.292 4.120 -0.001 0.000 0.267 128 V C 1.232 177.093 176.094 -0.389 0.000 1.040 128 V CA 0.010 62.102 62.300 -0.348 0.000 0.866 128 V CB 0.867 32.441 31.823 -0.415 0.000 1.019 128 V HN 0.977 9.167 8.190 -0.000 0.000 0.468 129 A N 4.046 126.592 122.820 -0.457 0.000 2.032 129 A HA -0.162 4.157 4.320 -0.001 0.000 0.221 129 A C 1.391 178.829 177.584 -0.242 0.000 1.165 129 A CA 1.955 53.744 52.037 -0.412 0.000 0.645 129 A CB -0.212 18.393 19.000 -0.660 0.000 0.807 129 A HN 0.906 9.056 8.150 -0.000 0.000 0.453 130 D N -1.273 119.003 120.400 -0.206 0.000 2.538 130 D HA 0.271 4.910 4.640 -0.001 0.000 0.231 130 D C -0.449 175.748 176.300 -0.172 0.000 1.229 130 D CA -0.175 53.764 54.000 -0.101 0.000 0.828 130 D CB -0.214 40.605 40.800 0.031 0.000 1.035 130 D HN 0.067 8.437 8.370 -0.000 0.000 0.495 131 V N 3.227 122.976 119.914 -0.275 0.000 2.313 131 V HA 0.308 4.427 4.120 -0.001 0.000 0.278 131 V C -1.919 174.070 176.094 -0.174 0.000 1.017 131 V CA -1.375 60.739 62.300 -0.310 0.000 0.823 131 V CB 1.574 33.001 31.823 -0.659 0.000 1.010 131 V HN 0.093 8.283 8.190 -0.000 0.000 0.443 132 P HA 0.134 4.554 4.420 -0.000 0.000 0.271 132 P C 1.249 178.605 177.300 0.094 0.000 1.233 132 P CA -0.060 63.046 63.100 0.010 0.000 0.789 132 P CB 1.526 33.232 31.700 0.010 0.000 0.951 133 V N 1.306 121.334 119.914 0.191 0.000 2.363 133 V HA -0.259 3.860 4.120 -0.001 0.000 0.254 133 V C 2.365 178.554 176.094 0.157 0.000 1.074 133 V CA 2.458 64.911 62.300 0.256 0.000 1.069 133 V CB -1.051 30.866 31.823 0.155 0.000 0.659 133 V HN 0.676 8.866 8.190 -0.000 0.000 0.455 134 E N -0.457 119.802 120.200 0.097 0.000 2.435 134 E HA -0.140 4.209 4.350 -0.001 0.000 0.195 134 E C 1.478 178.118 176.600 0.067 0.000 1.029 134 E CA 0.564 57.006 56.400 0.071 0.000 0.865 134 E CB -0.013 29.717 29.700 0.050 0.000 0.833 134 E HN 0.603 8.963 8.360 -0.000 0.000 0.510 135 E N 0.653 120.900 120.200 0.078 0.000 2.501 135 E HA 0.042 4.392 4.350 -0.001 0.000 0.201 135 E C 1.378 178.081 176.600 0.172 0.000 1.016 135 E CA 0.260 56.720 56.400 0.100 0.000 0.920 135 E CB 0.456 30.190 29.700 0.057 0.000 1.023 135 E HN 0.218 8.578 8.360 -0.000 0.000 0.474 136 S N -0.696 115.107 115.700 0.172 0.000 2.446 136 S HA 0.032 4.501 4.470 -0.001 0.000 0.225 136 S C 2.197 176.980 174.600 0.304 0.000 1.016 136 S CA 0.451 58.805 58.200 0.256 0.000 0.943 136 S CB 0.035 63.455 63.200 0.366 0.000 0.786 136 S HN 0.242 8.552 8.310 -0.000 0.000 0.508 137 A N 3.720 126.619 122.820 0.133 0.000 1.882 137 A HA -0.124 4.196 4.320 -0.001 0.000 0.220 137 A C 0.200 177.834 177.584 0.082 0.000 1.253 137 A CA 2.220 54.283 52.037 0.044 0.000 0.664 137 A CB -2.191 16.808 19.000 -0.002 0.000 0.838 137 A HN 0.516 8.666 8.150 -0.000 0.000 0.460 138 P HA -0.182 4.238 4.420 -0.000 0.000 0.218 138 P C 1.006 178.246 177.300 -0.100 0.000 1.152 138 P CA 1.602 64.649 63.100 -0.088 0.000 0.857 138 P CB -0.196 31.354 31.700 -0.250 0.000 0.787 139 F N -0.688 119.337 119.950 0.125 0.000 2.270 139 F HA 0.027 4.554 4.527 -0.001 0.000 0.295 139 F C 2.541 178.353 175.800 0.020 0.000 1.087 139 F CA 0.659 58.777 58.000 0.197 0.000 1.365 139 F CB -0.633 38.468 39.000 0.169 0.000 1.056 139 F HN -0.162 8.138 8.300 -0.000 0.000 0.506 140 R N 0.627 121.250 120.500 0.205 0.000 2.127 140 R HA -0.041 4.299 4.340 -0.001 0.000 0.217 140 R C 1.620 177.925 176.300 0.008 0.000 1.074 140 R CA 1.078 57.235 56.100 0.095 0.000 0.991 140 R CB -0.803 29.617 30.300 0.200 0.000 0.895 140 R HN 0.283 8.553 8.270 -0.000 0.000 0.450 141 Q N 0.764 120.570 119.800 0.009 0.000 2.167 141 Q HA 0.012 4.352 4.340 -0.001 0.000 0.202 141 Q C 2.067 178.063 176.000 -0.006 0.000 0.970 141 Q CA 1.538 57.339 55.803 -0.002 0.000 0.855 141 Q CB 0.037 28.775 28.738 0.001 0.000 0.911 141 Q HN 0.548 8.818 8.270 -0.000 0.000 0.438 142 A N 0.419 123.224 122.820 -0.025 0.000 2.081 142 A HA 0.201 4.520 4.320 -0.001 0.000 0.214 142 A C 2.095 179.585 177.584 -0.156 0.000 1.158 142 A CA 0.947 53.002 52.037 0.031 0.000 0.724 142 A CB -0.172 18.933 19.000 0.175 0.000 0.826 142 A HN 0.327 8.477 8.150 -0.000 0.000 0.463 143 A N -0.298 122.181 122.820 -0.569 0.000 1.975 143 A HA 0.213 4.532 4.320 -0.001 0.000 0.215 143 A C 2.043 179.530 177.584 -0.162 0.000 1.170 143 A CA 0.770 52.407 52.037 -0.665 0.000 0.656 143 A CB -0.381 18.115 19.000 -0.840 0.000 0.821 143 A HN 0.408 8.558 8.150 -0.000 0.000 0.449 144 L N -0.638 120.533 121.223 -0.086 0.000 1.976 144 L HA -0.166 4.174 4.340 -0.001 0.000 0.209 144 L C 2.585 179.461 176.870 0.011 0.000 1.071 144 L CA 1.446 56.282 54.840 -0.008 0.000 0.746 144 L CB -0.550 41.515 42.059 0.010 0.000 0.890 144 L HN 0.342 8.572 8.230 -0.000 0.000 0.432 145 R N -0.770 119.743 120.500 0.023 0.000 2.371 145 R HA -0.164 4.175 4.340 -0.001 0.000 0.226 145 R C 0.539 176.776 176.300 -0.104 0.000 1.132 145 R CA 0.823 56.908 56.100 -0.025 0.000 1.027 145 R CB -0.291 29.992 30.300 -0.028 0.000 0.848 145 R HN 0.506 8.776 8.270 -0.000 0.000 0.479 146 H N -0.668 118.391 119.070 -0.018 0.000 2.649 146 H HA 0.211 4.767 4.556 -0.001 0.000 0.258 146 H C -0.481 174.854 175.328 0.011 0.000 1.165 146 H CA -0.692 55.361 56.048 0.008 0.000 1.006 146 H CB 0.333 30.121 29.762 0.044 0.000 1.743 146 H HN 0.074 8.354 8.280 -0.000 0.000 0.609 147 N N 0.771 119.519 118.700 0.081 0.000 2.714 147 N HA -0.199 4.540 4.740 -0.001 0.000 0.252 147 N C -0.736 174.825 175.510 0.086 0.000 1.014 147 N CA 0.722 53.812 53.050 0.066 0.000 0.735 147 N CB -1.235 37.283 38.487 0.051 0.000 0.924 147 N HN 0.437 8.817 8.380 -0.000 0.000 0.540 148 I N 0.214 120.830 120.570 0.075 0.000 2.474 148 I HA 0.437 4.606 4.170 -0.001 0.000 0.294 148 I C 0.560 176.714 176.117 0.062 0.000 1.005 148 I CA -0.691 60.664 61.300 0.092 0.000 1.113 148 I CB 1.772 39.840 38.000 0.114 0.000 1.289 148 I HN 0.214 8.424 8.210 -0.000 0.000 0.436 149 A N 8.610 131.498 122.820 0.114 0.000 2.451 149 A HA 0.415 4.734 4.320 -0.001 0.000 0.266 149 A C -2.309 175.297 177.584 0.037 0.000 1.119 149 A CA -1.184 50.907 52.037 0.091 0.000 0.786 149 A CB -0.560 18.509 19.000 0.116 0.000 1.061 149 A HN 0.384 8.534 8.150 -0.000 0.000 0.503 150 P HA 0.111 4.531 4.420 -0.000 0.000 0.273 150 P C -0.535 176.739 177.300 -0.043 0.000 1.319 150 P CA 0.055 63.151 63.100 -0.006 0.000 0.885 150 P CB 0.237 32.019 31.700 0.138 0.000 1.015 151 I N 4.976 125.410 120.570 -0.226 0.000 2.441 151 I HA 0.283 4.452 4.170 -0.001 0.000 0.287 151 I C 0.702 176.617 176.117 -0.338 0.000 1.049 151 I CA -0.525 60.603 61.300 -0.287 0.000 1.381 151 I CB -0.755 36.975 38.000 -0.449 0.000 1.409 151 I HN 0.219 8.429 8.210 -0.000 0.000 0.523 152 F N 5.369 125.246 119.950 -0.122 0.000 2.561 152 F HA 0.546 5.072 4.527 -0.001 0.000 0.321 152 F C 0.408 176.180 175.800 -0.046 0.000 1.065 152 F CA -0.745 57.212 58.000 -0.071 0.000 0.934 152 F CB 1.811 40.796 39.000 -0.024 0.000 1.215 152 F HN 0.171 8.471 8.300 -0.000 0.000 0.471 153 I N 1.874 122.516 120.570 0.119 0.000 2.396 153 I HA 0.214 4.383 4.170 -0.001 0.000 0.292 153 I C -0.754 175.414 176.117 0.085 0.000 0.999 153 I CA -0.501 60.843 61.300 0.073 0.000 1.310 153 I CB 1.339 39.286 38.000 -0.088 0.000 1.404 153 I HN 0.492 8.702 8.210 -0.000 0.000 0.496 154 C N 9.365 128.713 119.300 0.079 0.000 2.251 154 C HA 0.533 4.992 4.460 -0.001 0.000 0.323 154 C C -2.189 172.800 174.990 -0.001 0.000 1.241 154 C CA -1.679 57.357 59.018 0.030 0.000 1.601 154 C CB 0.434 28.186 27.740 0.020 0.000 2.251 154 C HN 0.488 8.718 8.230 -0.000 0.000 0.488 155 P HA 0.332 4.752 4.420 -0.000 0.000 0.286 155 P C -2.163 175.118 177.300 -0.031 0.000 1.261 155 P CA -1.338 61.738 63.100 -0.041 0.000 0.821 155 P CB 1.259 32.935 31.700 -0.039 0.000 1.013 156 P HA -0.185 4.235 4.420 -0.000 0.000 0.219 156 P C 0.662 177.969 177.300 0.013 0.000 1.144 156 P CA 1.550 64.639 63.100 -0.018 0.000 0.806 156 P CB -0.244 31.450 31.700 -0.009 0.000 0.771 157 N N -1.054 117.654 118.700 0.013 0.000 2.273 157 N HA 0.192 4.931 4.740 -0.001 0.000 0.231 157 N C 0.165 175.691 175.510 0.027 0.000 1.134 157 N CA -0.355 52.712 53.050 0.029 0.000 0.856 157 N CB 0.032 38.531 38.487 0.019 0.000 1.068 157 N HN -0.065 8.315 8.380 -0.000 0.000 0.510 158 A N 1.246 124.079 122.820 0.021 0.000 2.462 158 A HA 0.271 4.591 4.320 -0.001 0.000 0.243 158 A C 0.334 177.938 177.584 0.033 0.000 1.076 158 A CA -0.266 51.781 52.037 0.015 0.000 0.773 158 A CB 0.311 19.312 19.000 0.001 0.000 1.010 158 A HN 0.577 8.727 8.150 -0.000 0.000 0.493 159 D N 0.784 121.193 120.400 0.016 0.000 2.592 159 D HA 0.161 4.800 4.640 -0.001 0.000 0.259 159 D C 0.340 176.642 176.300 0.003 0.000 1.144 159 D CA 0.084 54.097 54.000 0.021 0.000 1.080 159 D CB 0.175 40.980 40.800 0.009 0.000 1.225 159 D HN 0.500 8.870 8.370 -0.000 0.000 0.619 160 D N 0.551 120.955 120.400 0.008 0.000 2.269 160 D HA -0.307 4.333 4.640 -0.001 0.000 0.191 160 D C 0.985 177.218 176.300 -0.111 0.000 1.007 160 D CA 1.582 55.574 54.000 -0.014 0.000 0.855 160 D CB -0.746 40.054 40.800 -0.000 0.000 0.979 160 D HN 0.475 8.845 8.370 -0.000 0.000 0.452 161 D N 0.160 120.501 120.400 -0.100 0.000 2.178 161 D HA -0.093 4.547 4.640 -0.001 0.000 0.201 161 D C 2.329 178.534 176.300 -0.158 0.000 0.980 161 D CA 0.382 54.299 54.000 -0.139 0.000 0.842 161 D CB -0.113 40.636 40.800 -0.085 0.000 0.948 161 D HN 0.166 8.536 8.370 -0.000 0.000 0.472 162 L N 0.793 121.950 121.223 -0.110 0.000 2.027 162 L HA -0.096 4.243 4.340 -0.001 0.000 0.206 162 L C 2.281 179.059 176.870 -0.153 0.000 1.074 162 L CA 1.231 56.009 54.840 -0.103 0.000 0.745 162 L CB -0.435 41.594 42.059 -0.050 0.000 0.898 162 L HN -0.054 8.176 8.230 -0.000 0.000 0.433 163 L N -0.932 120.203 121.223 -0.147 0.000 2.131 163 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 163 L C 2.708 179.384 176.870 -0.325 0.000 1.092 163 L CA 1.098 55.850 54.840 -0.147 0.000 0.759 163 L CB -0.504 41.545 42.059 -0.018 0.000 0.903 163 L HN 0.218 8.448 8.230 -0.000 0.000 0.435 164 R N -0.328 119.854 120.500 -0.530 0.000 2.070 164 R HA -0.185 4.155 4.340 -0.001 0.000 0.232 164 R C 2.336 178.337 176.300 -0.498 0.000 1.138 164 R CA 1.624 57.333 56.100 -0.651 0.000 0.936 164 R CB -0.476 29.468 30.300 -0.594 0.000 0.839 164 R HN 0.452 8.722 8.270 -0.000 0.000 0.429 165 Q N 0.237 119.764 119.800 -0.454 0.000 2.061 165 Q HA -0.145 4.195 4.340 -0.001 0.000 0.204 165 Q C 2.271 177.863 176.000 -0.679 0.000 0.984 165 Q CA 1.699 57.118 55.803 -0.640 0.000 0.846 165 Q CB -0.160 28.380 28.738 -0.330 0.000 0.902 165 Q HN 0.180 8.450 8.270 -0.000 0.000 0.421 166 V N 1.046 120.709 119.914 -0.419 0.000 2.392 166 V HA -0.294 3.826 4.120 -0.001 0.000 0.249 166 V C 2.276 178.184 176.094 -0.310 0.000 1.059 166 V CA 1.823 63.903 62.300 -0.368 0.000 1.051 166 V CB -1.023 30.706 31.823 -0.157 0.000 0.658 166 V HN 0.399 8.589 8.190 -0.000 0.000 0.455 167 A N -0.197 122.464 122.820 -0.264 0.000 1.898 167 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 167 A C 2.476 179.944 177.584 -0.194 0.000 1.181 167 A CA 2.149 54.089 52.037 -0.161 0.000 0.620 167 A CB -0.613 18.329 19.000 -0.095 0.000 0.819 167 A HN 0.528 8.678 8.150 -0.000 0.000 0.442 168 S N -1.047 114.431 115.700 -0.370 0.000 2.368 168 S HA -0.101 4.369 4.470 -0.001 0.000 0.224 168 S C 1.716 176.180 174.600 -0.226 0.000 1.029 168 S CA 1.541 59.520 58.200 -0.369 0.000 0.988 168 S CB -0.464 62.355 63.200 -0.634 0.000 0.838 168 S HN 0.687 8.997 8.310 -0.000 0.000 0.462 169 Y N 1.519 121.673 120.300 -0.244 0.000 2.476 169 Y HA 0.375 4.925 4.550 -0.001 0.000 0.283 169 Y C 1.787 177.615 175.900 -0.120 0.000 1.109 169 Y CA -0.869 57.083 58.100 -0.246 0.000 1.246 169 Y CB -1.145 37.010 38.460 -0.509 0.000 1.068 169 Y HN 0.192 8.472 8.280 -0.000 0.000 0.552 170 G N 1.063 109.835 108.800 -0.047 0.000 2.634 170 G HA2 0.500 4.459 3.960 -0.001 0.000 0.255 170 G HA3 0.500 4.459 3.960 -0.001 0.000 0.255 170 G C -0.075 174.905 174.900 0.132 0.000 1.205 170 G CA -0.335 44.875 45.100 0.182 0.000 0.884 170 G HN -0.036 8.254 8.290 -0.000 0.000 0.549 171 R N -1.372 119.198 120.500 0.117 0.000 2.712 171 R HA 0.538 4.877 4.340 -0.001 0.000 0.272 171 R C 0.634 176.947 176.300 0.023 0.000 1.032 171 R CA 0.031 56.183 56.100 0.086 0.000 0.874 171 R CB 0.827 31.189 30.300 0.103 0.000 1.256 171 R HN 1.599 9.869 8.270 -0.000 0.000 0.468 172 G N 0.548 109.383 108.800 0.058 0.000 5.426 172 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.297 172 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.297 172 G C -0.671 174.309 174.900 0.135 0.000 1.422 172 G CA 0.934 45.978 45.100 -0.093 0.000 0.938 172 G HN 0.916 9.206 8.290 -0.000 0.000 0.754 173 Y N -1.826 118.421 120.300 -0.088 0.000 2.662 173 Y HA 0.680 5.229 4.550 -0.001 0.000 0.334 173 Y C -0.453 175.456 175.900 0.015 0.000 1.185 173 Y CA -0.637 57.459 58.100 -0.007 0.000 1.074 173 Y CB 0.570 39.059 38.460 0.049 0.000 1.330 173 Y HN 0.333 8.613 8.280 -0.000 0.000 0.458 174 T N 2.331 116.984 114.554 0.166 0.000 2.799 174 T HA 0.212 4.562 4.350 -0.001 0.000 0.286 174 T C -1.410 173.421 174.700 0.219 0.000 0.973 174 T CA -0.293 61.871 62.100 0.107 0.000 1.035 174 T CB 0.348 69.252 68.868 0.060 0.000 0.932 174 T HN 0.573 8.813 8.240 -0.000 0.000 0.469 175 Y N 4.528 124.876 120.300 0.080 0.000 2.404 175 Y HA 0.415 4.964 4.550 -0.001 0.000 0.344 175 Y C -0.406 175.519 175.900 0.041 0.000 0.995 175 Y CA -0.994 57.189 58.100 0.139 0.000 1.201 175 Y CB 0.322 38.821 38.460 0.066 0.000 1.151 175 Y HN 0.371 8.651 8.280 -0.000 0.000 0.517 176 L N 8.371 129.580 121.223 -0.023 0.000 2.296 176 L HA 0.441 4.781 4.340 -0.001 0.000 0.286 176 L C -1.143 175.709 176.870 -0.030 0.000 1.023 176 L CA -0.654 54.178 54.840 -0.013 0.000 0.812 176 L CB 1.138 43.155 42.059 -0.070 0.000 1.223 176 L HN 0.695 8.925 8.230 -0.000 0.000 0.421 177 L N 3.445 124.668 121.223 0.001 0.000 2.334 177 L HA 0.278 4.617 4.340 -0.001 0.000 0.277 177 L C 1.428 178.264 176.870 -0.056 0.000 1.075 177 L CA -0.221 54.579 54.840 -0.066 0.000 0.804 177 L CB 1.862 43.813 42.059 -0.179 0.000 1.174 177 L HN 0.729 8.959 8.230 -0.000 0.000 0.438 178 S N 2.229 117.910 115.700 -0.032 0.000 2.371 178 S HA 0.059 4.529 4.470 -0.001 0.000 0.221 178 S C 0.479 175.090 174.600 0.019 0.000 1.036 178 S CA 0.330 58.540 58.200 0.017 0.000 0.965 178 S CB 0.039 63.289 63.200 0.083 0.000 0.845 178 S HN 0.726 9.036 8.310 -0.000 0.000 0.475 179 R N -0.017 120.493 120.500 0.017 0.000 2.810 179 R HA 0.681 5.020 4.340 -0.001 0.000 0.266 179 R C -1.129 175.181 176.300 0.016 0.000 1.061 179 R CA -0.814 55.309 56.100 0.039 0.000 0.943 179 R CB 0.633 30.988 30.300 0.092 0.000 1.237 179 R HN -0.067 8.203 8.270 -0.000 0.000 0.459 180 S N -1.043 114.682 115.700 0.042 0.000 2.645 180 S HA 0.753 5.222 4.470 -0.001 0.000 0.266 180 S C 0.295 174.966 174.600 0.118 0.000 1.258 180 S CA 0.554 58.782 58.200 0.047 0.000 0.990 180 S CB 1.137 64.362 63.200 0.041 0.000 0.967 180 S HN 0.988 9.298 8.310 -0.000 0.000 0.556 181 G N -0.721 108.161 108.800 0.136 0.000 2.352 181 G HA2 0.085 4.044 3.960 -0.001 0.000 0.324 181 G HA3 0.085 4.044 3.960 -0.001 0.000 0.324 181 G C -0.821 174.238 174.900 0.265 0.000 1.249 181 G CA -0.417 44.784 45.100 0.168 0.000 1.053 181 G HN 1.536 9.826 8.290 -0.000 0.000 0.492 182 V N -2.743 117.282 119.914 0.185 0.000 3.113 182 V HA 0.910 5.030 4.120 -0.001 0.000 0.316 182 V C 0.940 176.920 176.094 -0.191 0.000 1.125 182 V CA 0.183 62.540 62.300 0.094 0.000 1.026 182 V CB 1.328 33.169 31.823 0.032 0.000 1.080 182 V HN 2.283 10.473 8.190 -0.000 0.000 0.444 183 T N 0.017 114.215 114.554 -0.594 0.000 2.758 183 T HA 0.537 4.886 4.350 -0.001 0.000 0.281 183 T C 0.269 174.762 174.700 -0.346 0.000 0.963 183 T CA 0.520 62.125 62.100 -0.825 0.000 1.201 183 T CB -0.598 67.776 68.868 -0.824 0.000 0.906 183 T HN 1.778 10.018 8.240 -0.000 0.000 0.528 184 G N 1.134 109.800 108.800 -0.223 0.000 2.659 184 G HA2 0.638 4.597 3.960 -0.001 0.000 0.296 184 G HA3 0.638 4.597 3.960 -0.001 0.000 0.296 184 G C 0.248 175.119 174.900 -0.048 0.000 1.369 184 G CA -0.627 44.415 45.100 -0.097 0.000 0.937 184 G HN 0.921 9.211 8.290 -0.000 0.000 0.485 185 A N 0.869 123.674 122.820 -0.025 0.000 2.268 185 A HA 0.443 4.762 4.320 -0.001 0.000 0.221 185 A C 0.584 178.183 177.584 0.025 0.000 1.287 185 A CA 0.361 52.402 52.037 0.006 0.000 0.902 185 A CB -0.407 18.591 19.000 -0.003 0.000 0.877 185 A HN 0.623 8.773 8.150 -0.000 0.000 0.487 186 E N -0.499 119.717 120.200 0.028 0.000 2.304 186 E HA 0.440 4.789 4.350 -0.001 0.000 0.277 186 E C -0.653 175.975 176.600 0.046 0.000 0.898 186 E CA -1.089 55.332 56.400 0.035 0.000 0.764 186 E CB 0.251 29.965 29.700 0.023 0.000 1.216 186 E HN 0.100 8.460 8.360 -0.000 0.000 0.419 195 H N 1.254 120.387 119.070 0.106 0.000 2.496 195 H HA -0.083 4.472 4.556 -0.001 0.000 0.296 195 H C 1.867 177.206 175.328 0.019 0.000 1.107 195 H CA 1.905 57.980 56.048 0.045 0.000 1.263 195 H CB -0.023 29.757 29.762 0.030 0.000 1.369 195 H HN 0.090 8.370 8.280 -0.000 0.000 0.541 196 L N 0.520 121.549 121.223 -0.324 0.000 2.102 196 L HA 0.055 4.394 4.340 -0.001 0.000 0.202 196 L C 2.419 179.220 176.870 -0.115 0.000 1.076 196 L CA 1.088 55.784 54.840 -0.241 0.000 0.761 196 L CB -0.520 41.323 42.059 -0.359 0.000 0.921 196 L HN 0.420 8.650 8.230 -0.000 0.000 0.444 197 I N -0.808 119.686 120.570 -0.128 0.000 2.264 197 I HA -0.292 3.877 4.170 -0.001 0.000 0.248 197 I C 2.448 178.513 176.117 -0.085 0.000 1.111 197 I CA 1.398 62.629 61.300 -0.115 0.000 1.382 197 I CB -0.497 37.399 38.000 -0.174 0.000 1.060 197 I HN 0.435 8.645 8.210 -0.000 0.000 0.418 198 E N 1.752 121.918 120.200 -0.058 0.000 2.017 198 E HA -0.243 4.107 4.350 -0.001 0.000 0.193 198 E C 2.136 178.680 176.600 -0.093 0.000 0.997 198 E CA 1.266 57.636 56.400 -0.050 0.000 0.804 198 E CB 0.112 29.813 29.700 0.002 0.000 0.757 198 E HN 0.250 8.610 8.360 -0.000 0.000 0.448 199 K N 0.528 120.885 120.400 -0.071 0.000 2.097 199 K HA -0.140 4.179 4.320 -0.001 0.000 0.206 199 K C 2.204 178.753 176.600 -0.086 0.000 1.049 199 K CA 0.445 56.659 56.287 -0.121 0.000 0.933 199 K CB -0.512 32.006 32.500 0.030 0.000 0.717 199 K HN 0.178 8.428 8.250 -0.000 0.000 0.442 200 L N 1.628 122.850 121.223 -0.001 0.000 2.017 200 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 200 L C 2.298 179.154 176.870 -0.023 0.000 1.073 200 L CA 1.785 56.647 54.840 0.037 0.000 0.745 200 L CB -0.497 41.559 42.059 -0.005 0.000 0.894 200 L HN 0.086 8.316 8.230 -0.000 0.000 0.432 201 K N -0.764 119.589 120.400 -0.078 0.000 2.097 201 K HA -0.157 4.162 4.320 -0.001 0.000 0.205 201 K C 1.910 178.394 176.600 -0.193 0.000 1.050 201 K CA 1.224 57.459 56.287 -0.088 0.000 0.938 201 K CB 0.040 32.494 32.500 -0.076 0.000 0.718 201 K HN 0.402 8.652 8.250 -0.000 0.000 0.442 202 E N -0.495 119.522 120.200 -0.306 0.000 2.085 202 E HA -0.213 4.136 4.350 -0.001 0.000 0.194 202 E C 1.620 177.803 176.600 -0.695 0.000 0.994 202 E CA 1.285 57.385 56.400 -0.501 0.000 0.801 202 E CB -0.091 29.229 29.700 -0.633 0.000 0.743 202 E HN 0.399 8.759 8.360 -0.000 0.000 0.453 203 Y N -0.544 119.575 120.300 -0.301 0.000 2.544 203 Y HA -0.014 4.536 4.550 -0.000 0.000 0.286 203 Y C 0.298 176.058 175.900 -0.234 0.000 1.141 203 Y CA 0.634 58.568 58.100 -0.277 0.000 1.299 203 Y CB -0.002 38.365 38.460 -0.155 0.000 1.030 203 Y HN 0.114 8.394 8.280 -0.000 0.000 0.543 204 H N -2.212 116.896 119.070 0.063 0.000 2.984 204 H HA -0.085 4.470 4.556 -0.001 0.000 0.297 204 H C 0.317 175.656 175.328 0.018 0.000 1.295 204 H CA 0.131 56.192 56.048 0.022 0.000 1.158 204 H CB -1.578 28.196 29.762 0.020 0.000 1.361 204 H HN 0.276 8.556 8.280 -0.000 0.000 0.416 205 A N 0.311 123.186 122.820 0.091 0.000 2.363 205 A HA 0.716 5.035 4.320 -0.001 0.000 0.270 205 A C 1.074 178.674 177.584 0.028 0.000 1.121 205 A CA 0.234 52.298 52.037 0.045 0.000 0.800 205 A CB 0.545 19.558 19.000 0.022 0.000 1.052 205 A HN 0.721 8.871 8.150 -0.000 0.000 0.493 206 A N 3.598 126.435 122.820 0.028 0.000 2.521 206 A HA 0.426 4.745 4.320 -0.001 0.000 0.237 206 A C -2.107 175.439 177.584 -0.063 0.000 1.087 206 A CA -0.673 51.369 52.037 0.009 0.000 0.777 206 A CB -0.921 18.118 19.000 0.064 0.000 1.035 206 A HN 0.655 8.805 8.150 -0.000 0.000 0.510 207 P HA 0.076 4.496 4.420 -0.000 0.000 0.253 207 P C -0.348 176.832 177.300 -0.200 0.000 1.159 207 P CA 1.224 64.084 63.100 -0.401 0.000 0.779 207 P CB 0.018 31.006 31.700 -1.188 0.000 0.745 208 A N 5.621 128.357 122.820 -0.139 0.000 2.496 208 A HA 0.121 4.440 4.320 -0.001 0.000 0.278 208 A C 0.176 177.703 177.584 -0.096 0.000 1.137 208 A CA 0.126 52.117 52.037 -0.077 0.000 0.805 208 A CB -0.734 18.212 19.000 -0.090 0.000 1.077 208 A HN 0.510 8.660 8.150 -0.000 0.000 0.513 209 L N 2.885 124.068 121.223 -0.065 0.000 2.289 209 L HA 0.329 4.668 4.340 -0.001 0.000 0.285 209 L C 0.709 177.434 176.870 -0.240 0.000 1.049 209 L CA -0.299 54.449 54.840 -0.153 0.000 0.804 209 L CB 1.351 43.254 42.059 -0.260 0.000 1.195 209 L HN 0.794 9.024 8.230 -0.000 0.000 0.428 210 Q N 1.043 120.730 119.800 -0.188 0.000 2.259 210 Q HA 0.365 4.704 4.340 -0.001 0.000 0.246 210 Q C 0.132 176.001 176.000 -0.219 0.000 0.920 210 Q CA 0.075 55.771 55.803 -0.180 0.000 0.895 210 Q CB 2.005 30.696 28.738 -0.078 0.000 1.220 210 Q HN 0.844 9.114 8.270 -0.000 0.000 0.439 211 G N 2.690 111.383 108.800 -0.178 0.000 2.495 211 G HA2 0.091 4.051 3.960 -0.001 0.000 0.219 211 G HA3 0.091 4.051 3.960 -0.001 0.000 0.219 211 G C -0.481 174.633 174.900 0.356 0.000 1.875 211 G CA -0.210 44.903 45.100 0.020 0.000 0.757 211 G HN 0.524 8.814 8.290 -0.000 0.000 0.682 212 F N 2.026 122.063 119.950 0.145 0.000 2.504 212 F HA 0.477 5.003 4.527 -0.001 0.000 0.369 212 F C 1.361 177.201 175.800 0.066 0.000 1.082 212 F CA 0.174 58.232 58.000 0.097 0.000 1.216 212 F CB 0.460 39.509 39.000 0.082 0.000 1.108 212 F HN 0.615 8.915 8.300 -0.000 0.000 0.554 213 G N 3.662 112.581 108.800 0.198 0.000 2.164 213 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.212 213 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.212 213 G C -0.425 174.551 174.900 0.126 0.000 1.031 213 G CA -0.609 44.569 45.100 0.130 0.000 0.730 213 G HN 0.540 8.830 8.290 -0.000 0.000 0.501 214 I N 1.028 121.685 120.570 0.146 0.000 2.359 214 I HA 0.526 4.695 4.170 -0.001 0.000 0.294 214 I C 1.113 177.348 176.117 0.196 0.000 0.987 214 I CA 0.174 61.567 61.300 0.154 0.000 1.225 214 I CB 1.969 40.069 38.000 0.167 0.000 1.366 214 I HN 0.166 8.376 8.210 -0.000 0.000 0.466 215 S N 1.151 116.965 115.700 0.189 0.000 2.617 215 S HA 0.175 4.644 4.470 -0.001 0.000 0.278 215 S C 0.190 174.964 174.600 0.290 0.000 1.082 215 S CA -0.416 57.945 58.200 0.269 0.000 1.228 215 S CB 0.425 63.719 63.200 0.157 0.000 1.130 215 S HN 0.465 8.775 8.310 -0.000 0.000 0.621 216 S N 3.382 119.172 115.700 0.151 0.000 2.437 216 S HA 0.469 4.939 4.470 -0.001 0.000 0.305 216 S C -2.232 172.369 174.600 0.003 0.000 1.109 216 S CA -1.230 57.019 58.200 0.082 0.000 1.099 216 S CB 1.646 64.882 63.200 0.060 0.000 1.004 216 S HN -0.076 8.234 8.310 -0.000 0.000 0.475 217 P HA -0.211 4.209 4.420 -0.000 0.000 0.218 217 P C 1.369 178.621 177.300 -0.081 0.000 1.154 217 P CA 1.093 64.108 63.100 -0.141 0.000 0.872 217 P CB 0.207 31.811 31.700 -0.161 0.000 0.790 218 E N -0.441 119.736 120.200 -0.040 0.000 2.401 218 E HA -0.190 4.160 4.350 -0.001 0.000 0.199 218 E C 1.843 178.438 176.600 -0.008 0.000 1.023 218 E CA 1.237 57.624 56.400 -0.022 0.000 0.859 218 E CB -0.667 29.028 29.700 -0.008 0.000 0.780 218 E HN 0.350 8.710 8.360 -0.000 0.000 0.523 219 Q N -0.951 118.849 119.800 0.001 0.000 2.187 219 Q HA -0.028 4.312 4.340 -0.001 0.000 0.199 219 Q C 2.092 178.099 176.000 0.012 0.000 0.957 219 Q CA 1.130 56.944 55.803 0.019 0.000 0.857 219 Q CB 0.260 29.024 28.738 0.043 0.000 0.929 219 Q HN 0.191 8.461 8.270 -0.000 0.000 0.453 220 V N 0.693 120.601 119.914 -0.010 0.000 2.223 220 V HA -0.274 3.845 4.120 -0.001 0.000 0.244 220 V C 2.172 178.254 176.094 -0.019 0.000 1.045 220 V CA 2.100 64.391 62.300 -0.016 0.000 1.000 220 V CB -0.854 30.909 31.823 -0.100 0.000 0.635 220 V HN 0.294 8.484 8.190 -0.000 0.000 0.445 221 S N 0.887 116.565 115.700 -0.036 0.000 2.372 221 S HA -0.296 4.174 4.470 -0.001 0.000 0.227 221 S C 2.231 176.825 174.600 -0.010 0.000 1.044 221 S CA 1.729 59.913 58.200 -0.026 0.000 1.050 221 S CB -0.829 62.353 63.200 -0.030 0.000 0.901 221 S HN 0.677 8.987 8.310 -0.000 0.000 0.447 222 A N 1.874 124.692 122.820 -0.003 0.000 1.892 222 A HA -0.009 4.310 4.320 -0.001 0.000 0.218 222 A C 2.433 180.020 177.584 0.005 0.000 1.188 222 A CA 2.062 54.104 52.037 0.009 0.000 0.631 222 A CB -1.325 17.685 19.000 0.016 0.000 0.822 222 A HN 0.583 8.733 8.150 -0.000 0.000 0.447 223 A N -0.685 122.134 122.820 -0.002 0.000 1.858 223 A HA -0.017 4.302 4.320 -0.001 0.000 0.216 223 A C 2.257 179.819 177.584 -0.036 0.000 1.190 223 A CA 1.941 53.967 52.037 -0.018 0.000 0.617 223 A CB -1.061 17.935 19.000 -0.007 0.000 0.827 223 A HN 0.464 8.614 8.150 -0.000 0.000 0.443 224 V N -0.138 119.764 119.914 -0.021 0.000 2.343 224 V HA -0.252 3.867 4.120 -0.001 0.000 0.247 224 V C 2.624 178.700 176.094 -0.029 0.000 1.051 224 V CA 2.250 64.535 62.300 -0.024 0.000 1.036 224 V CB -0.842 30.977 31.823 -0.007 0.000 0.654 224 V HN 0.576 8.766 8.190 -0.000 0.000 0.451 225 R N -0.004 120.488 120.500 -0.013 0.000 2.105 225 R HA -0.169 4.171 4.340 -0.001 0.000 0.239 225 R C 2.302 178.605 176.300 0.005 0.000 1.135 225 R CA 1.574 57.677 56.100 0.005 0.000 0.967 225 R CB -0.440 29.872 30.300 0.020 0.000 0.861 225 R HN 0.528 8.798 8.270 -0.000 0.000 0.442 226 A N -0.877 121.926 122.820 -0.030 0.000 2.070 226 A HA 0.011 4.331 4.320 -0.001 0.000 0.220 226 A C 1.499 178.844 177.584 -0.398 0.000 1.159 226 A CA 1.620 53.565 52.037 -0.153 0.000 0.656 226 A CB -0.154 18.760 19.000 -0.143 0.000 0.800 226 A HN 0.582 8.732 8.150 -0.000 0.000 0.453 227 G N -3.265 105.410 108.800 -0.208 0.000 2.273 227 G HA2 0.266 4.225 3.960 -0.001 0.000 0.162 227 G HA3 0.266 4.225 3.960 -0.001 0.000 0.162 227 G C 0.214 175.023 174.900 -0.151 0.000 1.006 227 G CA 0.017 45.004 45.100 -0.188 0.000 0.704 227 G HN 1.400 9.690 8.290 -0.000 0.000 0.487 228 A N 0.694 123.435 122.820 -0.131 0.000 2.362 228 A HA 0.800 5.120 4.320 -0.001 0.000 0.276 228 A C 1.504 179.036 177.584 -0.087 0.000 1.153 228 A CA 1.047 53.018 52.037 -0.110 0.000 0.813 228 A CB 0.871 19.816 19.000 -0.092 0.000 1.081 228 A HN 1.693 9.843 8.150 -0.000 0.000 0.507 229 A N 2.313 125.066 122.820 -0.113 0.000 2.259 229 A HA 0.432 4.752 4.320 -0.001 0.000 0.212 229 A C 1.186 178.772 177.584 0.004 0.000 1.178 229 A CA 1.454 53.432 52.037 -0.098 0.000 0.734 229 A CB -0.741 18.092 19.000 -0.279 0.000 0.774 229 A HN 2.315 10.465 8.150 -0.000 0.000 0.481 230 G N -3.391 105.410 108.800 0.001 0.000 2.320 230 G HA2 0.602 4.561 3.960 -0.001 0.000 0.297 230 G HA3 0.602 4.561 3.960 -0.001 0.000 0.297 230 G C -1.135 173.781 174.900 0.026 0.000 1.344 230 G CA -0.113 45.018 45.100 0.053 0.000 0.851 230 G HN 1.189 9.479 8.290 -0.000 0.000 0.567 231 A N -0.542 122.336 122.820 0.096 0.000 2.401 231 A HA 0.868 5.187 4.320 -0.001 0.000 0.310 231 A C -0.503 177.117 177.584 0.061 0.000 1.075 231 A CA -0.671 51.420 52.037 0.090 0.000 0.746 231 A CB 1.111 20.216 19.000 0.175 0.000 1.277 231 A HN 0.866 9.016 8.150 -0.000 0.000 0.425 232 I N 1.361 121.932 120.570 0.002 0.000 2.412 232 I HA 0.505 4.674 4.170 -0.001 0.000 0.296 232 I C 0.228 176.411 176.117 0.110 0.000 0.987 232 I CA -0.370 60.923 61.300 -0.011 0.000 1.180 232 I CB 1.929 39.928 38.000 -0.001 0.000 1.340 232 I HN 0.571 8.781 8.210 -0.000 0.000 0.455 233 S N 3.398 119.165 115.700 0.112 0.000 2.557 233 S HA 0.757 5.227 4.470 -0.001 0.000 0.291 233 S C 0.016 174.740 174.600 0.207 0.000 1.116 233 S CA -0.244 58.089 58.200 0.222 0.000 0.992 233 S CB 1.687 65.142 63.200 0.424 0.000 1.028 233 S HN 0.863 9.173 8.310 -0.000 0.000 0.484 234 G N 2.122 111.016 108.800 0.156 0.000 2.446 234 G HA2 0.154 4.113 3.960 -0.001 0.000 0.202 234 G HA3 0.154 4.113 3.960 -0.001 0.000 0.202 234 G C 1.198 176.169 174.900 0.118 0.000 1.842 234 G CA 0.459 45.648 45.100 0.148 0.000 0.703 234 G HN 0.675 8.965 8.290 -0.000 0.000 0.731 235 S N 1.657 117.358 115.700 0.002 0.000 2.372 235 S HA -0.207 4.263 4.470 -0.001 0.000 0.227 235 S C 2.711 177.313 174.600 0.004 0.000 1.044 235 S CA 1.837 60.034 58.200 -0.004 0.000 1.050 235 S CB -0.659 62.510 63.200 -0.052 0.000 0.901 235 S HN 0.740 9.050 8.310 -0.000 0.000 0.447 236 A N 1.254 124.085 122.820 0.019 0.000 1.940 236 A HA -0.196 4.124 4.320 -0.001 0.000 0.221 236 A C 2.082 179.551 177.584 -0.191 0.000 1.190 236 A CA 1.845 53.848 52.037 -0.057 0.000 0.647 236 A CB -0.812 18.236 19.000 0.080 0.000 0.821 236 A HN 0.559 8.709 8.150 -0.000 0.000 0.457 237 I N -0.918 119.637 120.570 -0.024 0.000 2.333 237 I HA -0.133 4.036 4.170 -0.001 0.000 0.246 237 I C 2.218 178.322 176.117 -0.022 0.000 1.106 237 I CA 0.802 62.094 61.300 -0.013 0.000 1.411 237 I CB -0.319 37.783 38.000 0.171 0.000 1.082 237 I HN 0.136 8.346 8.210 -0.000 0.000 0.420 238 V N 1.087 121.016 119.914 0.026 0.000 2.490 238 V HA -0.276 3.843 4.120 -0.001 0.000 0.250 238 V C 2.449 178.533 176.094 -0.017 0.000 1.061 238 V CA 1.727 64.042 62.300 0.024 0.000 1.064 238 V CB -0.735 31.127 31.823 0.065 0.000 0.670 238 V HN 0.353 8.543 8.190 -0.000 0.000 0.461 239 K N 0.188 120.559 120.400 -0.049 0.000 2.209 239 K HA -0.053 4.267 4.320 -0.001 0.000 0.204 239 K C 1.751 178.305 176.600 -0.077 0.000 1.048 239 K CA 1.326 57.575 56.287 -0.064 0.000 0.940 239 K CB -0.219 32.228 32.500 -0.087 0.000 0.729 239 K HN 0.514 8.764 8.250 -0.000 0.000 0.451 240 I N -0.050 120.459 120.570 -0.102 0.000 2.876 240 I HA -0.130 4.039 4.170 -0.001 0.000 0.264 240 I C 1.728 177.820 176.117 -0.043 0.000 1.204 240 I CA 0.494 61.741 61.300 -0.088 0.000 1.485 240 I CB -0.064 37.866 38.000 -0.118 0.000 1.103 240 I HN 0.092 8.302 8.210 -0.000 0.000 0.446 241 I N 0.858 121.410 120.570 -0.030 0.000 2.202 241 I HA -0.256 3.914 4.170 -0.001 0.000 0.242 241 I C 2.664 178.773 176.117 -0.014 0.000 1.091 241 I CA 1.426 62.717 61.300 -0.015 0.000 1.368 241 I CB -0.393 37.602 38.000 -0.009 0.000 1.058 241 I HN 0.310 8.521 8.210 -0.000 0.000 0.410 242 E N 1.871 122.062 120.200 -0.015 0.000 2.023 242 E HA -0.341 4.008 4.350 -0.001 0.000 0.196 242 E C 2.161 178.753 176.600 -0.014 0.000 1.003 242 E CA 2.027 58.420 56.400 -0.012 0.000 0.809 242 E CB -0.010 29.682 29.700 -0.013 0.000 0.755 242 E HN 0.241 8.601 8.360 -0.000 0.000 0.449 243 K N 0.934 121.321 120.400 -0.022 0.000 2.020 243 K HA -0.170 4.150 4.320 -0.001 0.000 0.212 243 K C 1.064 177.655 176.600 -0.014 0.000 1.050 243 K CA 2.292 58.566 56.287 -0.021 0.000 0.929 243 K CB -0.252 32.228 32.500 -0.033 0.000 0.714 243 K HN 0.068 8.318 8.250 -0.000 0.000 0.443 244 N N -0.141 118.551 118.700 -0.014 0.000 2.295 244 N HA 0.209 4.949 4.740 -0.001 0.000 0.221 244 N C 0.457 175.964 175.510 -0.004 0.000 1.129 244 N CA -0.141 52.904 53.050 -0.007 0.000 0.836 244 N CB 0.200 38.684 38.487 -0.006 0.000 1.040 244 N HN 0.102 8.482 8.380 -0.000 0.000 0.494 245 L N -0.178 121.043 121.223 -0.004 0.000 2.197 245 L HA -0.256 4.083 4.340 -0.001 0.000 0.215 245 L C 2.250 179.120 176.870 0.000 0.000 1.095 245 L CA 1.278 56.117 54.840 -0.002 0.000 0.764 245 L CB -0.361 41.698 42.059 -0.001 0.000 0.897 245 L HN 0.319 8.549 8.230 -0.000 0.000 0.436 246 A N -0.902 121.918 122.820 0.000 0.000 2.021 246 A HA -0.008 4.312 4.320 -0.001 0.000 0.216 246 A C 1.390 178.976 177.584 0.002 0.000 1.163 246 A CA 0.972 53.009 52.037 0.001 0.000 0.676 246 A CB -0.100 18.900 19.000 0.001 0.000 0.818 246 A HN 0.412 8.562 8.150 -0.000 0.000 0.453 247 S N -0.907 114.795 115.700 0.002 0.000 2.269 247 S HA 0.474 4.944 4.470 -0.001 0.000 0.194 247 S C -2.262 172.341 174.600 0.004 0.000 1.547 247 S CA -1.201 57.001 58.200 0.003 0.000 1.186 247 S CB 1.168 64.371 63.200 0.004 0.000 1.069 247 S HN 0.049 8.359 8.310 -0.000 0.000 0.473 248 P HA -0.216 4.204 4.420 -0.000 0.000 0.216 248 P C 1.667 178.972 177.300 0.008 0.000 1.150 248 P CA 1.049 64.152 63.100 0.005 0.000 0.843 248 P CB 0.171 31.874 31.700 0.005 0.000 0.787 249 K N 0.209 120.613 120.400 0.008 0.000 1.991 249 K HA -0.268 4.052 4.320 -0.001 0.000 0.212 249 K C 2.170 178.778 176.600 0.012 0.000 1.049 249 K CA 1.979 58.272 56.287 0.010 0.000 0.932 249 K CB -0.603 31.903 32.500 0.009 0.000 0.717 249 K HN -0.037 8.213 8.250 -0.000 0.000 0.441 250 Q N 0.831 120.638 119.800 0.011 0.000 2.224 250 Q HA -0.079 4.260 4.340 -0.001 0.000 0.203 250 Q C 2.078 178.086 176.000 0.014 0.000 0.970 250 Q CA 1.519 57.330 55.803 0.012 0.000 0.865 250 Q CB -0.177 28.567 28.738 0.009 0.000 0.922 250 Q HN 0.463 8.733 8.270 -0.000 0.000 0.445 251 M N -0.902 118.705 119.600 0.011 0.000 2.059 251 M HA -0.167 4.312 4.480 -0.001 0.000 0.259 251 M C 1.624 177.935 176.300 0.020 0.000 1.072 251 M CA 1.562 56.868 55.300 0.010 0.000 1.117 251 M CB -0.130 32.473 32.600 0.005 0.000 1.320 251 M HN 0.339 8.629 8.290 -0.000 0.000 0.408 252 L N 0.258 121.493 121.223 0.020 0.000 2.079 252 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 252 L C 2.774 179.665 176.870 0.035 0.000 1.081 252 L CA 1.247 56.103 54.840 0.026 0.000 0.752 252 L CB -1.008 41.063 42.059 0.021 0.000 0.896 252 L HN 0.460 8.691 8.230 -0.000 0.000 0.433 253 A N -0.377 122.461 122.820 0.030 0.000 1.877 253 A HA -0.226 4.093 4.320 -0.001 0.000 0.216 253 A C 2.217 179.829 177.584 0.047 0.000 1.186 253 A CA 1.670 53.727 52.037 0.034 0.000 0.620 253 A CB -0.424 18.592 19.000 0.026 0.000 0.822 253 A HN 0.414 8.564 8.150 -0.000 0.000 0.443 254 E N -0.562 119.665 120.200 0.045 0.000 2.152 254 E HA -0.061 4.288 4.350 -0.001 0.000 0.192 254 E C 1.937 178.598 176.600 0.101 0.000 0.983 254 E CA 0.502 56.938 56.400 0.060 0.000 0.818 254 E CB -0.158 29.562 29.700 0.033 0.000 0.758 254 E HN 0.613 8.973 8.360 -0.000 0.000 0.467 255 L N 0.441 121.718 121.223 0.090 0.000 1.994 255 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 255 L C 2.722 179.691 176.870 0.166 0.000 1.071 255 L CA 1.309 56.229 54.840 0.133 0.000 0.745 255 L CB -0.339 41.773 42.059 0.088 0.000 0.892 255 L HN 0.083 8.313 8.230 -0.000 0.000 0.431 256 R N -0.111 120.452 120.500 0.106 0.000 2.115 256 R HA -0.223 4.116 4.340 -0.001 0.000 0.239 256 R C 2.391 178.741 176.300 0.083 0.000 1.133 256 R CA 2.339 58.488 56.100 0.083 0.000 0.935 256 R CB -0.306 30.027 30.300 0.055 0.000 0.853 256 R HN 0.281 8.551 8.270 -0.000 0.000 0.433 257 S N 0.266 116.018 115.700 0.087 0.000 2.374 257 S HA -0.209 4.260 4.470 -0.001 0.000 0.227 257 S C 1.584 176.233 174.600 0.082 0.000 1.037 257 S CA 1.579 59.823 58.200 0.074 0.000 1.024 257 S CB -0.574 62.676 63.200 0.084 0.000 0.861 257 S HN 0.399 8.709 8.310 -0.000 0.000 0.456 258 F N 2.514 122.473 119.950 0.015 0.000 2.102 258 F HA -0.110 4.417 4.527 -0.001 0.000 0.298 258 F C 2.209 178.017 175.800 0.013 0.000 1.105 258 F CA 0.888 58.897 58.000 0.016 0.000 1.239 258 F CB -0.586 38.438 39.000 0.041 0.000 0.991 258 F HN -0.022 8.278 8.300 -0.000 0.000 0.474 259 V N 0.170 120.095 119.914 0.018 0.000 2.307 259 V HA -0.287 3.833 4.120 -0.001 0.000 0.245 259 V C 2.567 178.579 176.094 -0.138 0.000 1.045 259 V CA 1.975 64.276 62.300 0.003 0.000 1.024 259 V CB -1.368 30.552 31.823 0.163 0.000 0.651 259 V HN 0.513 8.703 8.190 -0.000 0.000 0.449 260 S N 1.373 117.021 115.700 -0.088 0.000 2.382 260 S HA -0.142 4.327 4.470 -0.001 0.000 0.228 260 S C 2.123 176.617 174.600 -0.177 0.000 1.027 260 S CA 1.283 59.425 58.200 -0.097 0.000 0.991 260 S CB -0.635 62.538 63.200 -0.045 0.000 0.823 260 S HN 0.588 8.898 8.310 -0.000 0.000 0.469 261 A N 2.381 125.066 122.820 -0.224 0.000 1.902 261 A HA 0.043 4.362 4.320 -0.001 0.000 0.217 261 A C 2.339 179.685 177.584 -0.397 0.000 1.181 261 A CA 1.725 53.605 52.037 -0.261 0.000 0.623 261 A CB -0.642 18.210 19.000 -0.245 0.000 0.818 261 A HN 0.454 8.604 8.150 -0.000 0.000 0.443 262 M N -0.638 118.582 119.600 -0.634 0.000 2.132 262 M HA -0.079 4.400 4.480 -0.001 0.000 0.263 262 M C 2.053 177.776 176.300 -0.962 0.000 1.065 262 M CA 1.893 56.641 55.300 -0.920 0.000 1.122 262 M CB -1.010 30.771 32.600 -1.366 0.000 1.365 262 M HN 0.441 8.731 8.290 -0.000 0.000 0.411 263 K N 0.905 120.863 120.400 -0.737 0.000 2.103 263 K HA 0.071 4.390 4.320 -0.001 0.000 0.204 263 K C 1.867 178.333 176.600 -0.225 0.000 1.052 263 K CA 1.532 57.592 56.287 -0.378 0.000 0.945 263 K CB -0.514 31.932 32.500 -0.091 0.000 0.722 263 K HN 0.163 8.413 8.250 -0.000 0.000 0.443 264 A N 0.967 123.662 122.820 -0.208 0.000 1.883 264 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 264 A C 2.382 179.888 177.584 -0.130 0.000 1.186 264 A CA 2.158 54.114 52.037 -0.135 0.000 0.624 264 A CB -1.248 17.678 19.000 -0.123 0.000 0.822 264 A HN 0.435 8.585 8.150 -0.000 0.000 0.444 265 A N -0.417 122.295 122.820 -0.181 0.000 2.139 265 A HA -0.055 4.264 4.320 -0.001 0.000 0.221 265 A C 2.000 179.517 177.584 -0.111 0.000 1.159 265 A CA 1.712 53.659 52.037 -0.149 0.000 0.662 265 A CB -0.754 18.128 19.000 -0.197 0.000 0.796 265 A HN 0.452 8.602 8.150 -0.000 0.000 0.463 266 S N -0.216 115.422 115.700 -0.104 0.000 2.720 266 S HA 0.067 4.537 4.470 -0.001 0.000 0.222 266 S C 0.840 175.429 174.600 -0.018 0.000 0.958 266 S CA -0.132 58.043 58.200 -0.041 0.000 0.943 266 S CB -0.198 62.998 63.200 -0.005 0.000 0.779 266 S HN 0.405 8.715 8.310 -0.000 0.000 0.526 267 R N 2.486 122.969 120.500 -0.027 0.000 2.296 267 R HA 0.647 4.986 4.340 -0.001 0.000 0.327 267 R C -0.244 176.050 176.300 -0.010 0.000 1.137 267 R CA 0.078 56.169 56.100 -0.014 0.000 1.020 267 R CB -0.182 30.107 30.300 -0.018 0.000 1.110 267 R HN 0.343 8.613 8.270 -0.000 0.000 0.499 268 A N 0.000 122.819 122.820 -0.002 0.000 2.254 268 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 268 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 268 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 268 A HN 0.000 8.150 8.150 -0.000 0.000 0.486