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 1n2o_1_A DATA FIRST_RESID 4 DATA SEQUENCE PAFHPGELNV YSAPGDVADV SRALRLTGRR VMLVPTMGAL HEGHLALVRA DATA SEQUENCE AKRVPGSVVV VSIFVNPMQF GAXXXXXXXP RTPDDDLAQL RAEGVEIAFT DATA SEQUENCE PTTAAMYPDG LRTTVQPGPL AAELEGGPRP THFAGVLTVV LKLLQIVRPD DATA SEQUENCE RVFFGEKDYQ QLVLIRQLVA DFNLDVAVVG VPTVREADGL AMSSRNRYLD DATA SEQUENCE PAQRAAAVAL SAALTAAAHA ATAGAQAALD AARAVLDAAP GVAVDYLELR DATA SEQUENCE DIGLGPMPLN GSGRLLVAAR LGTTRLLDNI AIEIGT 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 4 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 4 P C 0.000 177.326 177.300 0.044 0.000 1.155 4 P CA 0.000 63.109 63.100 0.014 0.000 0.800 4 P CB 0.000 31.703 31.700 0.006 0.000 0.726 5 A N 1.184 124.021 122.820 0.027 0.000 3.080 5 A HA -0.159 4.152 4.320 -0.014 0.000 0.254 5 A C -0.278 177.436 177.584 0.216 0.000 1.277 5 A CA 1.242 53.349 52.037 0.116 0.000 1.065 5 A CB -2.207 16.898 19.000 0.176 0.000 1.160 5 A HN 0.615 8.765 8.150 -0.000 0.000 0.886 6 F N 1.748 121.624 119.950 -0.123 0.000 2.539 6 F HA 0.635 5.157 4.527 -0.008 0.000 0.328 6 F C -0.273 175.360 175.800 -0.279 0.000 1.148 6 F CA -0.845 57.117 58.000 -0.063 0.000 0.940 6 F CB 1.151 40.167 39.000 0.027 0.000 1.194 6 F HN 0.240 8.540 8.300 -0.000 0.000 0.438 7 H N 6.608 125.299 119.070 -0.632 0.000 2.597 7 H HA 0.306 4.855 4.556 -0.012 0.000 0.303 7 H C -2.445 172.388 175.328 -0.824 0.000 1.057 7 H CA -1.691 54.040 56.048 -0.529 0.000 1.261 7 H CB 1.234 30.826 29.762 -0.282 0.000 1.397 7 H HN 0.361 8.641 8.280 -0.000 0.000 0.461 8 P HA -0.024 4.396 4.420 -0.000 0.000 0.268 8 P C 1.105 178.307 177.300 -0.162 0.000 1.208 8 P CA 0.938 63.846 63.100 -0.321 0.000 0.777 8 P CB 0.591 32.272 31.700 -0.032 0.000 0.875 9 G N 0.332 109.089 108.800 -0.072 0.000 2.196 9 G HA2 -0.261 3.690 3.960 -0.014 0.000 0.268 9 G HA3 -0.261 3.690 3.960 -0.014 0.000 0.268 9 G C -0.039 174.828 174.900 -0.055 0.000 0.975 9 G CA 0.257 45.335 45.100 -0.037 0.000 0.648 9 G HN 0.600 8.890 8.290 -0.000 0.000 0.538 10 E N -1.086 119.053 120.200 -0.101 0.000 2.320 10 E HA 0.636 4.977 4.350 -0.014 0.000 0.264 10 E C -0.717 175.842 176.600 -0.070 0.000 0.923 10 E CA -1.322 55.027 56.400 -0.084 0.000 0.796 10 E CB 1.827 31.466 29.700 -0.101 0.000 1.262 10 E HN 0.158 8.518 8.360 -0.000 0.000 0.428 11 L N 2.351 123.544 121.223 -0.050 0.000 2.325 11 L HA 0.188 4.519 4.340 -0.014 0.000 0.284 11 L C -0.812 176.018 176.870 -0.067 0.000 1.089 11 L CA 0.100 54.921 54.840 -0.031 0.000 0.836 11 L CB -0.185 41.857 42.059 -0.029 0.000 1.184 11 L HN 0.355 8.585 8.230 -0.000 0.000 0.444 12 N N 4.858 123.523 118.700 -0.059 0.000 2.425 12 N HA 0.297 5.029 4.740 -0.014 0.000 0.268 12 N C -1.183 174.098 175.510 -0.381 0.000 0.991 12 N CA -0.444 52.482 53.050 -0.207 0.000 0.931 12 N CB 2.043 40.495 38.487 -0.058 0.000 1.130 12 N HN 0.353 8.733 8.380 -0.000 0.000 0.493 13 V N 3.767 123.416 119.914 -0.442 0.000 2.370 13 V HA 0.379 4.491 4.120 -0.014 0.000 0.283 13 V C -0.803 175.037 176.094 -0.425 0.000 1.023 13 V CA -0.562 61.554 62.300 -0.306 0.000 0.857 13 V CB -0.008 31.739 31.823 -0.126 0.000 0.985 13 V HN 0.495 8.685 8.190 -0.000 0.000 0.443 14 Y N 1.923 122.324 120.300 0.168 0.000 2.446 14 Y HA 0.443 4.987 4.550 -0.010 0.000 0.345 14 Y C 1.138 177.188 175.900 0.250 0.000 0.984 14 Y CA -0.559 57.658 58.100 0.195 0.000 1.058 14 Y CB 2.465 41.042 38.460 0.196 0.000 1.220 14 Y HN 0.508 8.788 8.280 -0.000 0.000 0.455 15 S N 0.928 116.826 115.700 0.329 0.000 2.527 15 S HA 0.259 4.720 4.470 -0.014 0.000 0.227 15 S C 0.612 175.370 174.600 0.262 0.000 1.059 15 S CA 0.047 58.365 58.200 0.197 0.000 0.919 15 S CB 0.317 63.577 63.200 0.100 0.000 0.805 15 S HN 0.677 8.987 8.310 -0.000 0.000 0.500 16 A N 2.573 125.561 122.820 0.280 0.000 2.362 16 A HA 0.509 4.821 4.320 -0.014 0.000 0.276 16 A C -1.732 176.005 177.584 0.256 0.000 1.153 16 A CA -1.358 50.809 52.037 0.216 0.000 0.813 16 A CB 0.206 19.282 19.000 0.127 0.000 1.081 16 A HN 0.076 8.226 8.150 -0.000 0.000 0.507 17 P HA -0.169 4.251 4.420 -0.000 0.000 0.216 17 P C 1.772 178.999 177.300 -0.122 0.000 1.153 17 P CA 2.084 65.222 63.100 0.064 0.000 0.858 17 P CB 0.183 31.931 31.700 0.079 0.000 0.789 18 G N -0.530 108.236 108.800 -0.057 0.000 2.450 18 G HA2 -0.256 3.696 3.960 -0.014 0.000 0.220 18 G HA3 -0.256 3.696 3.960 -0.014 0.000 0.220 18 G C 1.197 176.015 174.900 -0.137 0.000 1.130 18 G CA 0.982 46.029 45.100 -0.090 0.000 0.760 18 G HN 0.193 8.483 8.290 -0.000 0.000 0.557 19 D N -0.231 120.097 120.400 -0.120 0.000 2.097 19 D HA -0.081 4.550 4.640 -0.014 0.000 0.197 19 D C 2.585 178.592 176.300 -0.487 0.000 0.984 19 D CA 0.842 54.716 54.000 -0.210 0.000 0.826 19 D CB -0.650 40.120 40.800 -0.050 0.000 0.973 19 D HN 0.125 8.495 8.370 -0.000 0.000 0.460 20 V N 0.611 120.216 119.914 -0.515 0.000 2.515 20 V HA -0.132 3.979 4.120 -0.014 0.000 0.250 20 V C 2.062 177.862 176.094 -0.490 0.000 1.058 20 V CA 1.920 63.827 62.300 -0.655 0.000 1.064 20 V CB -0.386 31.048 31.823 -0.649 0.000 0.675 20 V HN 0.171 8.361 8.190 -0.000 0.000 0.461 21 A N -0.312 122.269 122.820 -0.398 0.000 1.902 21 A HA -0.209 4.102 4.320 -0.014 0.000 0.217 21 A C 1.957 179.395 177.584 -0.243 0.000 1.181 21 A CA 1.961 53.825 52.037 -0.288 0.000 0.623 21 A CB -0.705 18.162 19.000 -0.222 0.000 0.818 21 A HN 0.602 8.752 8.150 -0.000 0.000 0.443 22 D N -0.226 120.031 120.400 -0.237 0.000 2.097 22 D HA -0.103 4.528 4.640 -0.014 0.000 0.195 22 D C 2.110 178.276 176.300 -0.223 0.000 0.989 22 D CA 1.488 55.372 54.000 -0.193 0.000 0.827 22 D CB -0.589 40.116 40.800 -0.159 0.000 0.966 22 D HN 0.188 8.558 8.370 -0.000 0.000 0.456 23 V N 0.736 120.462 119.914 -0.312 0.000 2.332 23 V HA -0.231 3.880 4.120 -0.014 0.000 0.248 23 V C 2.604 178.504 176.094 -0.325 0.000 1.055 23 V CA 1.940 64.041 62.300 -0.333 0.000 1.038 23 V CB -0.577 30.968 31.823 -0.464 0.000 0.651 23 V HN 0.200 8.390 8.190 -0.000 0.000 0.450 24 S N -0.522 114.994 115.700 -0.307 0.000 2.368 24 S HA -0.254 4.207 4.470 -0.014 0.000 0.225 24 S C 2.226 176.709 174.600 -0.194 0.000 1.030 24 S CA 1.926 59.977 58.200 -0.247 0.000 0.999 24 S CB -0.337 62.731 63.200 -0.221 0.000 0.844 24 S HN 0.566 8.876 8.310 -0.000 0.000 0.459 25 R N 0.434 120.828 120.500 -0.176 0.000 2.073 25 R HA -0.042 4.290 4.340 -0.014 0.000 0.234 25 R C 2.384 178.609 176.300 -0.125 0.000 1.134 25 R CA 1.459 57.479 56.100 -0.133 0.000 0.952 25 R CB -0.717 29.510 30.300 -0.121 0.000 0.850 25 R HN 0.459 8.729 8.270 -0.000 0.000 0.433 26 A N 1.053 123.787 122.820 -0.143 0.000 1.902 26 A HA -0.109 4.202 4.320 -0.014 0.000 0.217 26 A C 2.212 179.713 177.584 -0.137 0.000 1.181 26 A CA 1.150 53.112 52.037 -0.125 0.000 0.623 26 A CB -0.508 18.417 19.000 -0.125 0.000 0.818 26 A HN 0.359 8.509 8.150 -0.000 0.000 0.443 27 L N -1.294 119.808 121.223 -0.201 0.000 2.141 27 L HA -0.141 4.190 4.340 -0.014 0.000 0.209 27 L C 2.846 179.638 176.870 -0.130 0.000 1.094 27 L CA 1.128 55.844 54.840 -0.207 0.000 0.763 27 L CB -0.396 41.466 42.059 -0.328 0.000 0.908 27 L HN 0.362 8.592 8.230 -0.000 0.000 0.437 28 R N -0.183 120.246 120.500 -0.117 0.000 2.092 28 R HA -0.098 4.233 4.340 -0.014 0.000 0.231 28 R C 2.296 178.559 176.300 -0.061 0.000 1.119 28 R CA 0.984 57.036 56.100 -0.080 0.000 0.970 28 R CB -0.231 30.023 30.300 -0.076 0.000 0.864 28 R HN 0.321 8.591 8.270 -0.000 0.000 0.440 29 L N 0.317 121.501 121.223 -0.065 0.000 2.042 29 L HA -0.166 4.166 4.340 -0.014 0.000 0.210 29 L C 2.392 179.239 176.870 -0.039 0.000 1.076 29 L CA 1.729 56.539 54.840 -0.048 0.000 0.749 29 L CB -0.667 41.362 42.059 -0.049 0.000 0.893 29 L HN 0.348 8.578 8.230 -0.000 0.000 0.432 30 T N -3.184 111.345 114.554 -0.043 0.000 3.215 30 T HA 0.138 4.479 4.350 -0.014 0.000 0.254 30 T C 1.383 176.070 174.700 -0.022 0.000 1.149 30 T CA 0.553 62.637 62.100 -0.028 0.000 1.042 30 T CB 0.078 68.932 68.868 -0.024 0.000 0.966 30 T HN 0.564 8.804 8.240 -0.000 0.000 0.534 31 G N 1.516 110.300 108.800 -0.027 0.000 2.176 31 G HA2 -0.254 3.697 3.960 -0.014 0.000 0.253 31 G HA3 -0.254 3.697 3.960 -0.014 0.000 0.253 31 G C 0.184 175.073 174.900 -0.017 0.000 0.979 31 G CA -0.199 44.890 45.100 -0.019 0.000 0.641 31 G HN 0.662 8.952 8.290 -0.000 0.000 0.530 32 R N 0.905 121.389 120.500 -0.027 0.000 2.316 32 R HA 0.388 4.720 4.340 -0.014 0.000 0.314 32 R C 0.548 176.831 176.300 -0.028 0.000 1.069 32 R CA -0.414 55.672 56.100 -0.023 0.000 0.959 32 R CB 0.546 30.826 30.300 -0.033 0.000 0.987 32 R HN 0.282 8.552 8.270 -0.000 0.000 0.446 33 R N 1.694 122.188 120.500 -0.009 0.000 2.442 33 R HA 0.121 4.452 4.340 -0.014 0.000 0.291 33 R C -0.238 176.062 176.300 0.001 0.000 1.069 33 R CA -0.259 55.840 56.100 -0.002 0.000 1.022 33 R CB 0.833 31.144 30.300 0.018 0.000 0.976 33 R HN 0.278 8.548 8.270 -0.000 0.000 0.443 34 V N 5.489 125.399 119.914 -0.007 0.000 2.406 34 V HA 0.193 4.305 4.120 -0.014 0.000 0.272 34 V C 0.295 176.416 176.094 0.045 0.000 1.043 34 V CA -0.190 62.106 62.300 -0.006 0.000 0.915 34 V CB 1.198 32.995 31.823 -0.043 0.000 0.988 34 V HN 0.625 8.815 8.190 -0.000 0.000 0.466 35 M N 6.041 125.683 119.600 0.070 0.000 2.268 35 M HA 0.521 4.992 4.480 -0.014 0.000 0.344 35 M C -0.845 175.527 176.300 0.119 0.000 1.106 35 M CA -0.786 54.613 55.300 0.165 0.000 1.010 35 M CB 1.491 34.170 32.600 0.131 0.000 1.649 35 M HN 0.495 8.785 8.290 -0.000 0.000 0.443 36 L N 4.235 125.563 121.223 0.175 0.000 2.333 36 L HA 0.647 4.979 4.340 -0.014 0.000 0.280 36 L C -1.238 175.692 176.870 0.100 0.000 1.004 36 L CA -0.418 54.483 54.840 0.101 0.000 0.820 36 L CB 1.616 43.714 42.059 0.064 0.000 1.247 36 L HN 0.461 8.691 8.230 -0.000 0.000 0.416 37 V N 7.058 126.990 119.914 0.030 0.000 2.305 37 V HA 0.440 4.551 4.120 -0.014 0.000 0.275 37 V C -2.278 173.799 176.094 -0.028 0.000 1.020 37 V CA -1.304 60.979 62.300 -0.028 0.000 0.811 37 V CB 1.198 32.996 31.823 -0.043 0.000 1.031 37 V HN 0.710 8.900 8.190 -0.000 0.000 0.439 38 P HA 0.440 4.860 4.420 -0.000 0.000 0.281 38 P C -0.167 177.186 177.300 0.088 0.000 1.252 38 P CA 0.141 63.266 63.100 0.041 0.000 0.778 38 P CB 1.102 32.863 31.700 0.101 0.000 0.895 39 T N -0.611 114.005 114.554 0.103 0.000 2.812 39 T HA 0.526 4.868 4.350 -0.014 0.000 0.294 39 T C 0.284 175.031 174.700 0.079 0.000 1.159 39 T CA -0.803 61.346 62.100 0.082 0.000 1.008 39 T CB 1.034 69.850 68.868 -0.086 0.000 1.289 39 T HN 0.143 8.383 8.240 -0.000 0.000 0.514 40 M N 1.121 120.751 119.600 0.051 0.000 2.404 40 M HA 0.419 4.891 4.480 -0.014 0.000 0.271 40 M C 1.137 177.417 176.300 -0.033 0.000 1.128 40 M CA 0.247 55.569 55.300 0.036 0.000 0.982 40 M CB 0.033 32.678 32.600 0.076 0.000 1.445 40 M HN 1.244 9.534 8.290 -0.000 0.000 0.495 41 G N 1.088 109.821 108.800 -0.112 0.000 2.681 41 G HA2 -0.025 3.927 3.960 -0.014 0.000 0.220 41 G HA3 -0.025 3.927 3.960 -0.014 0.000 0.220 41 G C 0.136 174.933 174.900 -0.172 0.000 1.353 41 G CA -0.301 44.715 45.100 -0.140 0.000 0.872 41 G HN 1.032 9.322 8.290 -0.000 0.000 0.557 42 A N -1.738 121.022 122.820 -0.100 0.000 2.610 42 A HA -0.036 4.276 4.320 -0.014 0.000 0.299 42 A C 0.838 178.369 177.584 -0.089 0.000 1.487 42 A CA 1.782 53.796 52.037 -0.038 0.000 0.743 42 A CB -2.072 16.951 19.000 0.037 0.000 1.070 42 A HN 1.879 10.029 8.150 -0.000 0.000 0.439 43 L N 0.421 121.517 121.223 -0.212 0.000 2.461 43 L HA 0.534 4.865 4.340 -0.014 0.000 0.272 43 L C 0.934 177.830 176.870 0.044 0.000 1.197 43 L CA 0.315 54.982 54.840 -0.288 0.000 0.836 43 L CB 0.210 42.116 42.059 -0.256 0.000 1.105 43 L HN 0.848 9.078 8.230 -0.000 0.000 0.477 44 H N -1.201 118.100 119.070 0.385 0.000 2.960 44 H HA 0.310 4.858 4.556 -0.015 0.000 0.303 44 H C 0.289 175.699 175.328 0.137 0.000 1.412 44 H CA -0.950 55.202 56.048 0.172 0.000 1.227 44 H CB 0.407 30.230 29.762 0.101 0.000 1.912 44 H HN 0.347 8.627 8.280 -0.000 0.000 0.583 45 E N 0.265 120.653 120.200 0.313 0.000 2.130 45 E HA -0.103 4.239 4.350 -0.014 0.000 0.196 45 E C 2.198 178.915 176.600 0.196 0.000 0.998 45 E CA 2.147 58.658 56.400 0.185 0.000 0.806 45 E CB -0.874 28.889 29.700 0.105 0.000 0.738 45 E HN 0.798 9.158 8.360 -0.000 0.000 0.459 46 G N -0.960 108.059 108.800 0.366 0.000 2.446 46 G HA2 -0.310 3.642 3.960 -0.014 0.000 0.217 46 G HA3 -0.310 3.642 3.960 -0.014 0.000 0.217 46 G C 1.172 176.072 174.900 -0.000 0.000 1.168 46 G CA 1.296 46.496 45.100 0.167 0.000 0.771 46 G HN 0.430 8.720 8.290 -0.000 0.000 0.551 47 H N 0.078 119.132 119.070 -0.027 0.000 2.423 47 H HA 0.142 4.689 4.556 -0.015 0.000 0.297 47 H C 2.534 177.838 175.328 -0.040 0.000 1.075 47 H CA 0.756 56.755 56.048 -0.081 0.000 1.342 47 H CB -0.062 29.590 29.762 -0.183 0.000 1.395 47 H HN 0.247 8.527 8.280 -0.000 0.000 0.530 48 L N -0.036 121.250 121.223 0.105 0.000 2.201 48 L HA -0.083 4.248 4.340 -0.014 0.000 0.212 48 L C 2.586 179.470 176.870 0.024 0.000 1.105 48 L CA 0.678 55.549 54.840 0.051 0.000 0.775 48 L CB -0.428 41.662 42.059 0.051 0.000 0.913 48 L HN 0.357 8.587 8.230 -0.000 0.000 0.440 49 A N 0.211 123.053 122.820 0.036 0.000 1.968 49 A HA -0.059 4.253 4.320 -0.014 0.000 0.217 49 A C 2.252 179.837 177.584 0.002 0.000 1.169 49 A CA 0.937 52.988 52.037 0.024 0.000 0.638 49 A CB -0.347 18.680 19.000 0.044 0.000 0.812 49 A HN 0.341 8.491 8.150 -0.000 0.000 0.446 50 L N -0.805 120.421 121.223 0.005 0.000 2.072 50 L HA -0.113 4.219 4.340 -0.014 0.000 0.205 50 L C 2.495 179.247 176.870 -0.197 0.000 1.079 50 L CA 0.896 55.718 54.840 -0.030 0.000 0.752 50 L CB -0.729 41.348 42.059 0.030 0.000 0.906 50 L HN 0.211 8.441 8.230 -0.000 0.000 0.436 51 V N 0.247 120.084 119.914 -0.129 0.000 2.287 51 V HA -0.300 3.812 4.120 -0.014 0.000 0.248 51 V C 2.663 178.645 176.094 -0.187 0.000 1.053 51 V CA 1.849 64.050 62.300 -0.164 0.000 1.027 51 V CB -0.610 31.168 31.823 -0.075 0.000 0.646 51 V HN 0.422 8.612 8.190 -0.000 0.000 0.447 52 R N -0.095 120.335 120.500 -0.117 0.000 2.092 52 R HA -0.082 4.249 4.340 -0.014 0.000 0.231 52 R C 2.395 178.624 176.300 -0.119 0.000 1.119 52 R CA 1.377 57.424 56.100 -0.090 0.000 0.970 52 R CB -0.541 29.736 30.300 -0.038 0.000 0.864 52 R HN 0.545 8.815 8.270 -0.000 0.000 0.440 53 A N 1.185 123.913 122.820 -0.153 0.000 1.898 53 A HA -0.057 4.254 4.320 -0.014 0.000 0.216 53 A C 2.349 179.735 177.584 -0.330 0.000 1.181 53 A CA 1.527 53.489 52.037 -0.124 0.000 0.620 53 A CB -0.553 18.451 19.000 0.006 0.000 0.819 53 A HN 0.377 8.527 8.150 -0.000 0.000 0.442 54 A N -0.275 122.073 122.820 -0.786 0.000 1.898 54 A HA -0.136 4.175 4.320 -0.014 0.000 0.216 54 A C 2.119 179.523 177.584 -0.300 0.000 1.181 54 A CA 1.758 53.245 52.037 -0.917 0.000 0.620 54 A CB -0.418 17.962 19.000 -1.032 0.000 0.819 54 A HN 0.502 8.652 8.150 -0.000 0.000 0.442 55 K N -0.563 119.709 120.400 -0.213 0.000 2.063 55 K HA -0.134 4.177 4.320 -0.014 0.000 0.208 55 K C 2.164 178.734 176.600 -0.050 0.000 1.048 55 K CA 1.451 57.681 56.287 -0.096 0.000 0.928 55 K CB -0.197 32.260 32.500 -0.072 0.000 0.713 55 K HN 0.381 8.631 8.250 -0.000 0.000 0.442 56 R N 0.615 121.087 120.500 -0.046 0.000 2.261 56 R HA -0.089 4.243 4.340 -0.014 0.000 0.236 56 R C 0.300 176.612 176.300 0.020 0.000 1.141 56 R CA 0.442 56.540 56.100 -0.004 0.000 1.001 56 R CB -0.246 30.060 30.300 0.011 0.000 0.866 56 R HN -0.034 8.236 8.270 -0.000 0.000 0.468 57 V N 2.767 122.698 119.914 0.030 0.000 2.421 57 V HA -0.002 4.110 4.120 -0.014 0.000 0.271 57 V C -1.355 174.761 176.094 0.036 0.000 1.031 57 V CA -1.010 61.324 62.300 0.056 0.000 1.032 57 V CB 0.807 32.690 31.823 0.098 0.000 1.009 57 V HN 0.086 8.276 8.190 -0.000 0.000 0.477 58 P HA -0.240 4.180 4.420 -0.000 0.000 0.227 58 P C 0.915 178.229 177.300 0.022 0.000 0.791 58 P CA 1.964 65.079 63.100 0.025 0.000 1.075 58 P CB 0.022 31.737 31.700 0.024 0.000 0.728 59 G N -1.149 107.664 108.800 0.022 0.000 3.286 59 G HA2 0.429 4.380 3.960 -0.014 0.000 0.303 59 G HA3 0.429 4.380 3.960 -0.014 0.000 0.303 59 G C -0.431 174.481 174.900 0.019 0.000 0.974 59 G CA 0.073 45.185 45.100 0.019 0.000 1.635 59 G HN 0.397 8.687 8.290 -0.000 0.000 0.535 60 S N -0.311 115.402 115.700 0.022 0.000 2.566 60 S HA 0.724 5.186 4.470 -0.014 0.000 0.298 60 S C -0.800 173.811 174.600 0.019 0.000 1.083 60 S CA -0.947 57.265 58.200 0.020 0.000 0.978 60 S CB 2.483 65.699 63.200 0.026 0.000 1.073 60 S HN 0.622 8.932 8.310 -0.000 0.000 0.491 61 V N 2.655 122.575 119.914 0.010 0.000 2.495 61 V HA 0.669 4.781 4.120 -0.014 0.000 0.298 61 V C -1.030 175.072 176.094 0.014 0.000 1.031 61 V CA -0.614 61.697 62.300 0.020 0.000 0.871 61 V CB 1.566 33.371 31.823 -0.029 0.000 0.988 61 V HN 0.915 9.105 8.190 -0.000 0.000 0.432 62 V N 7.291 127.221 119.914 0.026 0.000 2.407 62 V HA 0.455 4.566 4.120 -0.014 0.000 0.278 62 V C -0.074 176.043 176.094 0.039 0.000 1.037 62 V CA -0.429 61.874 62.300 0.006 0.000 0.900 62 V CB 1.593 33.394 31.823 -0.036 0.000 0.983 62 V HN 0.668 8.858 8.190 -0.000 0.000 0.459 63 V N 6.021 125.957 119.914 0.037 0.000 2.384 63 V HA 0.423 4.534 4.120 -0.014 0.000 0.287 63 V C -0.159 175.977 176.094 0.069 0.000 1.020 63 V CA -0.487 61.854 62.300 0.069 0.000 0.850 63 V CB 1.834 33.686 31.823 0.049 0.000 0.987 63 V HN 0.612 8.802 8.190 -0.000 0.000 0.436 64 V N 4.894 124.860 119.914 0.086 0.000 2.384 64 V HA 0.498 4.609 4.120 -0.014 0.000 0.287 64 V C 0.299 176.466 176.094 0.122 0.000 1.020 64 V CA -0.375 61.966 62.300 0.068 0.000 0.850 64 V CB 2.009 33.847 31.823 0.026 0.000 0.987 64 V HN 0.980 9.170 8.190 -0.000 0.000 0.436 65 S N 5.908 121.690 115.700 0.138 0.000 2.565 65 S HA 0.818 5.279 4.470 -0.014 0.000 0.290 65 S C -0.697 173.961 174.600 0.096 0.000 1.150 65 S CA -0.690 57.618 58.200 0.180 0.000 1.058 65 S CB 1.630 64.996 63.200 0.276 0.000 1.032 65 S HN 0.497 8.807 8.310 -0.000 0.000 0.510 66 I N 2.630 123.235 120.570 0.059 0.000 2.439 66 I HA 0.618 4.780 4.170 -0.014 0.000 0.285 66 I C -1.286 174.906 176.117 0.126 0.000 1.021 66 I CA -0.481 60.849 61.300 0.050 0.000 1.091 66 I CB 1.486 39.485 38.000 -0.001 0.000 1.242 66 I HN 0.762 8.972 8.210 -0.000 0.000 0.439 67 F N 6.429 126.355 119.950 -0.040 0.000 2.690 67 F HA 0.593 5.110 4.527 -0.016 0.000 0.311 67 F C -1.973 173.843 175.800 0.027 0.000 1.111 67 F CA -0.549 57.431 58.000 -0.033 0.000 1.003 67 F CB 1.391 40.357 39.000 -0.056 0.000 1.283 67 F HN 0.015 8.315 8.300 -0.000 0.000 0.442 68 V N 4.947 124.339 119.914 -0.871 0.000 2.531 68 V HA 0.386 4.498 4.120 -0.014 0.000 0.301 68 V C -0.364 175.183 176.094 -0.912 0.000 1.034 68 V CA -1.113 60.837 62.300 -0.584 0.000 0.865 68 V CB 1.728 33.364 31.823 -0.311 0.000 0.995 68 V HN 0.734 8.924 8.190 -0.000 0.000 0.424 69 N N 5.311 123.788 118.700 -0.371 0.000 2.407 69 N HA 0.130 4.861 4.740 -0.014 0.000 0.250 69 N C -2.234 173.091 175.510 -0.309 0.000 1.236 69 N CA -0.693 52.271 53.050 -0.144 0.000 0.879 69 N CB 0.644 39.222 38.487 0.151 0.000 1.088 69 N HN 0.455 8.835 8.380 -0.000 0.000 0.450 70 P HA -0.022 4.398 4.420 -0.000 0.000 0.268 70 P C 0.729 177.776 177.300 -0.422 0.000 1.204 70 P CA -0.154 62.616 63.100 -0.550 0.000 0.768 70 P CB 0.670 31.859 31.700 -0.852 0.000 0.842 71 M N 3.485 122.942 119.600 -0.238 0.000 2.149 71 M HA -0.214 4.257 4.480 -0.014 0.000 0.261 71 M C 2.144 178.399 176.300 -0.075 0.000 1.064 71 M CA 1.812 57.041 55.300 -0.118 0.000 1.102 71 M CB -0.868 31.679 32.600 -0.088 0.000 1.369 71 M HN 0.429 8.719 8.290 -0.000 0.000 0.408 72 Q N -1.325 118.403 119.800 -0.121 0.000 2.443 72 Q HA -0.201 4.131 4.340 -0.014 0.000 0.213 72 Q C 1.518 177.606 176.000 0.148 0.000 0.982 72 Q CA 1.381 57.172 55.803 -0.020 0.000 0.894 72 Q CB -1.012 27.700 28.738 -0.043 0.000 0.947 72 Q HN 0.597 8.867 8.270 -0.000 0.000 0.480 73 F N 0.915 120.826 119.950 -0.066 0.000 2.558 73 F HA 0.135 4.654 4.527 -0.014 0.000 0.298 73 F C 1.491 177.264 175.800 -0.045 0.000 1.119 73 F CA 0.075 58.030 58.000 -0.076 0.000 1.451 73 F CB 0.244 39.173 39.000 -0.118 0.000 1.091 73 F HN 0.392 8.692 8.300 -0.000 0.000 0.563 74 G N 1.465 110.355 108.800 0.151 0.000 2.198 74 G HA2 -0.163 3.788 3.960 -0.014 0.000 0.260 74 G HA3 -0.163 3.788 3.960 -0.014 0.000 0.260 74 G C -0.100 174.846 174.900 0.078 0.000 1.025 74 G CA 0.158 45.307 45.100 0.082 0.000 0.769 74 G HN 0.645 8.935 8.290 -0.000 0.000 0.507 84 R N -0.882 119.613 120.500 -0.008 0.000 2.747 84 R HA 0.849 5.181 4.340 -0.014 0.000 0.272 84 R C -0.983 175.310 176.300 -0.012 0.000 1.032 84 R CA -1.031 55.068 56.100 -0.001 0.000 0.896 84 R CB 0.775 31.081 30.300 0.011 0.000 1.253 84 R HN 0.176 8.446 8.270 -0.000 0.000 0.461 85 T N -1.456 113.093 114.554 -0.008 0.000 2.875 85 T HA 0.400 4.741 4.350 -0.014 0.000 0.284 85 T C -1.550 173.140 174.700 -0.015 0.000 0.995 85 T CA -1.764 60.329 62.100 -0.011 0.000 1.060 85 T CB 1.618 70.482 68.868 -0.007 0.000 0.967 85 T HN 0.548 8.788 8.240 -0.000 0.000 0.476 86 P HA 0.052 4.472 4.420 -0.000 0.000 0.231 86 P C 0.727 178.015 177.300 -0.021 0.000 1.168 86 P CA 0.407 63.493 63.100 -0.022 0.000 0.779 86 P CB 0.233 31.921 31.700 -0.020 0.000 0.844 87 D N 1.178 121.568 120.400 -0.016 0.000 2.116 87 D HA -0.183 4.449 4.640 -0.014 0.000 0.193 87 D C 1.235 177.525 176.300 -0.015 0.000 0.998 87 D CA 1.291 55.281 54.000 -0.015 0.000 0.836 87 D CB -0.231 40.562 40.800 -0.012 0.000 0.951 87 D HN 0.241 8.611 8.370 -0.000 0.000 0.449 88 D N 0.849 121.240 120.400 -0.014 0.000 2.149 88 D HA -0.099 4.532 4.640 -0.014 0.000 0.201 88 D C 1.626 177.914 176.300 -0.019 0.000 0.972 88 D CA 0.680 54.673 54.000 -0.012 0.000 0.835 88 D CB -0.247 40.550 40.800 -0.006 0.000 0.966 88 D HN 0.182 8.552 8.370 -0.000 0.000 0.476 89 D N 0.685 121.068 120.400 -0.029 0.000 2.117 89 D HA -0.078 4.554 4.640 -0.014 0.000 0.197 89 D C 2.421 178.700 176.300 -0.036 0.000 0.987 89 D CA 0.403 54.375 54.000 -0.046 0.000 0.829 89 D CB -0.220 40.541 40.800 -0.066 0.000 0.961 89 D HN 0.238 8.608 8.370 -0.000 0.000 0.460 90 L N 0.785 121.992 121.223 -0.028 0.000 2.056 90 L HA -0.124 4.208 4.340 -0.014 0.000 0.207 90 L C 2.618 179.475 176.870 -0.021 0.000 1.078 90 L CA 1.016 55.842 54.840 -0.023 0.000 0.749 90 L CB -0.467 41.579 42.059 -0.022 0.000 0.901 90 L HN -0.036 8.194 8.230 -0.000 0.000 0.433 91 A N -0.395 122.413 122.820 -0.019 0.000 1.908 91 A HA -0.263 4.048 4.320 -0.014 0.000 0.218 91 A C 2.257 179.832 177.584 -0.014 0.000 1.181 91 A CA 1.667 53.694 52.037 -0.016 0.000 0.627 91 A CB -0.500 18.493 19.000 -0.013 0.000 0.818 91 A HN 0.476 8.626 8.150 -0.000 0.000 0.445 92 Q N -0.561 119.231 119.800 -0.014 0.000 2.050 92 Q HA -0.142 4.189 4.340 -0.014 0.000 0.202 92 Q C 2.215 178.208 176.000 -0.012 0.000 0.980 92 Q CA 1.538 57.334 55.803 -0.010 0.000 0.840 92 Q CB -0.372 28.358 28.738 -0.012 0.000 0.898 92 Q HN 0.702 8.972 8.270 -0.000 0.000 0.424 93 L N 0.201 121.414 121.223 -0.017 0.000 2.042 93 L HA -0.228 4.104 4.340 -0.014 0.000 0.210 93 L C 2.738 179.602 176.870 -0.009 0.000 1.076 93 L CA 1.288 56.120 54.840 -0.013 0.000 0.749 93 L CB -0.461 41.591 42.059 -0.011 0.000 0.893 93 L HN 0.210 8.440 8.230 -0.000 0.000 0.432 94 R N 0.182 120.675 120.500 -0.012 0.000 2.083 94 R HA -0.188 4.143 4.340 -0.014 0.000 0.237 94 R C 2.275 178.568 176.300 -0.012 0.000 1.137 94 R CA 1.564 57.656 56.100 -0.014 0.000 0.951 94 R CB -0.270 30.018 30.300 -0.021 0.000 0.851 94 R HN 0.361 8.631 8.270 -0.000 0.000 0.434 95 A N 0.327 123.141 122.820 -0.011 0.000 2.067 95 A HA -0.092 4.220 4.320 -0.014 0.000 0.219 95 A C 1.650 179.231 177.584 -0.006 0.000 1.158 95 A CA 1.099 53.132 52.037 -0.008 0.000 0.661 95 A CB -0.116 18.881 19.000 -0.006 0.000 0.801 95 A HN 0.259 8.409 8.150 -0.000 0.000 0.452 96 E N -0.998 119.198 120.200 -0.006 0.000 2.479 96 E HA 0.188 4.529 4.350 -0.014 0.000 0.193 96 E C 1.090 177.686 176.600 -0.007 0.000 1.049 96 E CA 0.512 56.908 56.400 -0.006 0.000 0.870 96 E CB -0.209 29.486 29.700 -0.008 0.000 0.944 96 E HN 0.702 9.062 8.360 -0.000 0.000 0.492 97 G N 0.945 109.743 108.800 -0.004 0.000 2.176 97 G HA2 -0.266 3.685 3.960 -0.014 0.000 0.252 97 G HA3 -0.266 3.685 3.960 -0.014 0.000 0.252 97 G C 0.343 175.249 174.900 0.009 0.000 1.024 97 G CA 0.462 45.562 45.100 0.000 0.000 0.755 97 G HN 0.153 8.443 8.290 -0.000 0.000 0.507 98 V N -0.034 119.887 119.914 0.010 0.000 2.583 98 V HA 0.279 4.391 4.120 -0.014 0.000 0.287 98 V C 1.371 177.498 176.094 0.055 0.000 1.051 98 V CA 0.471 62.786 62.300 0.026 0.000 1.010 98 V CB 1.550 33.383 31.823 0.016 0.000 0.988 98 V HN 0.498 8.688 8.190 -0.000 0.000 0.478 99 E N 3.562 123.826 120.200 0.106 0.000 2.340 99 E HA 0.273 4.614 4.350 -0.014 0.000 0.194 99 E C -0.172 176.576 176.600 0.245 0.000 0.996 99 E CA 0.498 57.005 56.400 0.178 0.000 0.869 99 E CB 0.511 30.403 29.700 0.321 0.000 0.835 99 E HN 0.581 8.941 8.360 -0.000 0.000 0.493 100 I N 0.603 121.300 120.570 0.211 0.000 2.569 100 I HA 0.424 4.586 4.170 -0.014 0.000 0.290 100 I C -1.090 175.134 176.117 0.178 0.000 1.088 100 I CA -0.924 60.525 61.300 0.248 0.000 1.047 100 I CB 2.144 40.328 38.000 0.305 0.000 1.237 100 I HN -0.154 8.056 8.210 -0.000 0.000 0.421 101 A N 5.779 128.699 122.820 0.168 0.000 2.343 101 A HA 0.741 5.052 4.320 -0.014 0.000 0.316 101 A C -1.462 176.293 177.584 0.285 0.000 1.104 101 A CA -0.354 51.777 52.037 0.158 0.000 0.768 101 A CB 1.166 20.207 19.000 0.068 0.000 1.213 101 A HN 0.524 8.674 8.150 -0.000 0.000 0.456 102 F N 3.539 123.552 119.950 0.105 0.000 2.375 102 F HA 0.573 5.091 4.527 -0.016 0.000 0.361 102 F C 0.409 176.263 175.800 0.090 0.000 1.117 102 F CA -0.727 57.344 58.000 0.119 0.000 1.037 102 F CB 1.764 40.817 39.000 0.089 0.000 1.192 102 F HN 0.467 8.767 8.300 -0.000 0.000 0.452 103 T N 5.516 119.969 114.554 -0.169 0.000 3.401 103 T HA 0.432 4.774 4.350 -0.014 0.000 0.341 103 T C -2.943 171.592 174.700 -0.276 0.000 1.674 103 T CA -1.725 60.252 62.100 -0.204 0.000 1.600 103 T CB 0.458 69.300 68.868 -0.043 0.000 0.974 103 T HN 0.379 8.619 8.240 -0.000 0.000 0.672 104 P HA 0.272 4.692 4.420 -0.000 0.000 0.276 104 P C 0.301 177.577 177.300 -0.040 0.000 1.244 104 P CA -0.086 62.791 63.100 -0.370 0.000 0.801 104 P CB 1.006 32.290 31.700 -0.694 0.000 1.006 105 T N -2.196 112.370 114.554 0.019 0.000 2.874 105 T HA 0.166 4.508 4.350 -0.014 0.000 0.281 105 T C 1.425 176.261 174.700 0.226 0.000 0.994 105 T CA -0.249 61.921 62.100 0.116 0.000 1.015 105 T CB -0.285 68.626 68.868 0.071 0.000 1.028 105 T HN 0.308 8.548 8.240 -0.000 0.000 0.523 106 T N 1.405 116.131 114.554 0.287 0.000 2.720 106 T HA -0.083 4.258 4.350 -0.014 0.000 0.268 106 T C 2.371 177.237 174.700 0.277 0.000 1.037 106 T CA 1.524 63.852 62.100 0.381 0.000 1.144 106 T CB -0.841 68.132 68.868 0.175 0.000 0.864 106 T HN 0.805 9.045 8.240 -0.000 0.000 0.444 107 A N 1.345 124.263 122.820 0.163 0.000 1.908 107 A HA 0.113 4.424 4.320 -0.014 0.000 0.218 107 A C 2.594 180.238 177.584 0.100 0.000 1.181 107 A CA 1.864 53.980 52.037 0.131 0.000 0.627 107 A CB -0.994 18.058 19.000 0.086 0.000 0.818 107 A HN 0.521 8.671 8.150 -0.000 0.000 0.445 108 A N -1.662 121.194 122.820 0.060 0.000 2.014 108 A HA 0.041 4.352 4.320 -0.014 0.000 0.218 108 A C 2.075 179.622 177.584 -0.062 0.000 1.163 108 A CA 1.604 53.650 52.037 0.014 0.000 0.652 108 A CB -0.332 18.677 19.000 0.015 0.000 0.808 108 A HN 0.412 8.562 8.150 -0.000 0.000 0.449 109 M N -1.965 117.551 119.600 -0.139 0.000 2.334 109 M HA 0.118 4.589 4.480 -0.014 0.000 0.266 109 M C -0.144 175.833 176.300 -0.538 0.000 1.082 109 M CA 1.048 56.077 55.300 -0.451 0.000 1.141 109 M CB -0.612 31.506 32.600 -0.804 0.000 1.380 109 M HN 0.479 8.769 8.290 -0.000 0.000 0.440 110 Y N -0.624 119.740 120.300 0.106 0.000 2.470 110 Y HA 0.267 4.808 4.550 -0.014 0.000 0.352 110 Y C -1.642 174.332 175.900 0.123 0.000 0.967 110 Y CA -1.703 56.491 58.100 0.156 0.000 1.121 110 Y CB -0.041 38.604 38.460 0.310 0.000 1.149 110 Y HN 0.133 8.413 8.280 -0.000 0.000 0.641 111 P HA -0.128 4.292 4.420 -0.000 0.000 0.220 111 P C 0.407 177.783 177.300 0.126 0.000 1.148 111 P CA 1.607 64.780 63.100 0.122 0.000 0.803 111 P CB 0.453 32.194 31.700 0.069 0.000 0.782 112 D N -1.005 119.480 120.400 0.141 0.000 2.424 112 D HA 0.256 4.887 4.640 -0.014 0.000 0.220 112 D C 1.182 177.567 176.300 0.141 0.000 1.150 112 D CA 0.459 54.527 54.000 0.115 0.000 0.831 112 D CB 0.584 41.432 40.800 0.080 0.000 0.981 112 D HN 0.112 8.482 8.370 -0.000 0.000 0.500 113 G N 1.502 110.436 108.800 0.223 0.000 2.693 113 G HA2 -0.278 3.674 3.960 -0.014 0.000 0.226 113 G HA3 -0.278 3.674 3.960 -0.014 0.000 0.226 113 G C -0.598 174.406 174.900 0.173 0.000 1.354 113 G CA -0.749 44.493 45.100 0.235 0.000 0.873 113 G HN 0.240 8.530 8.290 -0.000 0.000 0.562 114 L N 1.345 122.500 121.223 -0.113 0.000 2.328 114 L HA 0.634 4.966 4.340 -0.014 0.000 0.280 114 L C 1.399 178.166 176.870 -0.172 0.000 1.111 114 L CA 0.651 55.261 54.840 -0.383 0.000 0.909 114 L CB 0.401 41.760 42.059 -1.167 0.000 1.277 114 L HN 0.759 8.989 8.230 -0.000 0.000 0.433 115 R N 1.283 121.761 120.500 -0.036 0.000 1.904 115 R HA 0.306 4.638 4.340 -0.014 0.000 0.178 115 R C -0.044 176.248 176.300 -0.014 0.000 1.718 115 R CA 0.061 56.150 56.100 -0.019 0.000 1.331 115 R CB 0.233 30.544 30.300 0.019 0.000 1.089 115 R HN 0.473 8.743 8.270 -0.000 0.000 0.479 116 T N 1.860 116.423 114.554 0.014 0.000 2.832 116 T HA 0.264 4.605 4.350 -0.014 0.000 0.296 116 T C -0.161 174.556 174.700 0.028 0.000 0.968 116 T CA -0.129 61.977 62.100 0.011 0.000 1.107 116 T CB 1.314 70.185 68.868 0.006 0.000 0.916 116 T HN 0.551 8.791 8.240 -0.000 0.000 0.517 117 T N -0.954 113.614 114.554 0.024 0.000 2.865 117 T HA 0.651 4.992 4.350 -0.014 0.000 0.294 117 T C -0.509 174.240 174.700 0.081 0.000 1.119 117 T CA -0.866 61.264 62.100 0.050 0.000 1.007 117 T CB 0.965 69.840 68.868 0.012 0.000 1.225 117 T HN 0.259 8.499 8.240 -0.000 0.000 0.515 118 V N 1.792 121.778 119.914 0.120 0.000 2.465 118 V HA 0.500 4.612 4.120 -0.014 0.000 0.279 118 V C -0.045 176.121 176.094 0.120 0.000 1.045 118 V CA -0.444 61.964 62.300 0.180 0.000 0.938 118 V CB 1.133 33.087 31.823 0.218 0.000 0.986 118 V HN 0.966 9.156 8.190 -0.000 0.000 0.467 119 Q N 6.560 126.435 119.800 0.125 0.000 2.372 119 Q HA 0.477 4.809 4.340 -0.014 0.000 0.259 119 Q C -2.505 173.520 176.000 0.041 0.000 0.993 119 Q CA -1.381 54.465 55.803 0.072 0.000 0.854 119 Q CB 1.448 30.224 28.738 0.065 0.000 1.231 119 Q HN 0.548 8.818 8.270 -0.000 0.000 0.462 120 P HA 0.258 4.678 4.420 -0.000 0.000 0.272 120 P C -0.104 177.173 177.300 -0.038 0.000 1.240 120 P CA -0.393 62.685 63.100 -0.037 0.000 0.791 120 P CB 0.652 32.347 31.700 -0.008 0.000 0.978 121 G N 0.637 109.390 108.800 -0.078 0.000 2.653 121 G HA2 0.191 4.142 3.960 -0.014 0.000 0.265 121 G HA3 0.191 4.142 3.960 -0.014 0.000 0.265 121 G C -1.587 173.287 174.900 -0.043 0.000 1.237 121 G CA -0.884 44.179 45.100 -0.061 0.000 0.946 121 G HN 0.312 8.602 8.290 -0.000 0.000 0.522 122 P HA -0.142 4.278 4.420 -0.000 0.000 0.217 122 P C 1.991 179.275 177.300 -0.027 0.000 1.148 122 P CA 0.404 63.491 63.100 -0.021 0.000 0.834 122 P CB 0.080 31.767 31.700 -0.023 0.000 0.783 123 L N -0.412 120.776 121.223 -0.059 0.000 2.261 123 L HA -0.091 4.241 4.340 -0.014 0.000 0.216 123 L C 2.041 178.873 176.870 -0.064 0.000 1.114 123 L CA 1.797 56.589 54.840 -0.080 0.000 0.777 123 L CB -1.367 40.613 42.059 -0.131 0.000 0.910 123 L HN -0.097 8.133 8.230 -0.000 0.000 0.440 124 A N -0.900 121.901 122.820 -0.031 0.000 2.119 124 A HA 0.172 4.483 4.320 -0.014 0.000 0.217 124 A C 2.270 179.982 177.584 0.213 0.000 1.153 124 A CA 1.076 53.185 52.037 0.120 0.000 0.692 124 A CB -0.738 18.350 19.000 0.147 0.000 0.799 124 A HN 0.529 8.679 8.150 -0.000 0.000 0.458 125 A N -0.517 122.363 122.820 0.100 0.000 2.238 125 A HA 0.242 4.553 4.320 -0.014 0.000 0.210 125 A C 0.767 178.390 177.584 0.065 0.000 1.179 125 A CA 0.032 52.120 52.037 0.084 0.000 0.827 125 A CB 0.016 19.044 19.000 0.046 0.000 0.856 125 A HN 0.586 8.736 8.150 -0.000 0.000 0.488 126 E N -0.881 119.347 120.200 0.048 0.000 2.254 126 E HA 0.557 4.899 4.350 -0.014 0.000 0.261 126 E C 0.394 176.986 176.600 -0.013 0.000 1.051 126 E CA -0.558 55.839 56.400 -0.005 0.000 0.902 126 E CB 0.854 30.527 29.700 -0.045 0.000 1.168 126 E HN 0.218 8.578 8.360 -0.000 0.000 0.423 127 L N -0.195 120.932 121.223 -0.160 0.000 4.638 127 L HA -0.443 3.888 4.340 -0.014 0.000 0.053 127 L C 1.791 178.647 176.870 -0.024 0.000 3.458 127 L CA 1.432 56.031 54.840 -0.401 0.000 1.370 127 L CB -1.141 40.649 42.059 -0.448 0.000 3.074 127 L HN 0.623 8.853 8.230 -0.000 0.000 0.881 128 E N 0.571 120.878 120.200 0.177 0.000 2.204 128 E HA -0.117 4.224 4.350 -0.014 0.000 0.195 128 E C 1.913 178.599 176.600 0.145 0.000 0.990 128 E CA 1.398 57.949 56.400 0.252 0.000 0.821 128 E CB -0.367 29.512 29.700 0.298 0.000 0.750 128 E HN 0.739 9.099 8.360 -0.000 0.000 0.477 129 G N 0.485 109.420 108.800 0.225 0.000 2.534 129 G HA2 -0.105 3.847 3.960 -0.014 0.000 0.217 129 G HA3 -0.105 3.847 3.960 -0.014 0.000 0.217 129 G C 1.550 176.505 174.900 0.092 0.000 1.128 129 G CA 0.669 45.871 45.100 0.170 0.000 0.784 129 G HN 0.369 8.659 8.290 -0.000 0.000 0.542 130 G N 1.895 110.742 108.800 0.079 0.000 2.511 130 G HA2 -0.123 3.828 3.960 -0.014 0.000 0.216 130 G HA3 -0.123 3.828 3.960 -0.014 0.000 0.216 130 G C 0.204 175.133 174.900 0.049 0.000 1.218 130 G CA 1.224 46.359 45.100 0.059 0.000 0.788 130 G HN 0.445 8.735 8.290 -0.000 0.000 0.560 131 P HA 0.086 4.506 4.420 -0.000 0.000 0.225 131 P C 0.531 177.835 177.300 0.006 0.000 1.156 131 P CA 0.686 63.801 63.100 0.025 0.000 0.787 131 P CB 0.343 32.056 31.700 0.023 0.000 0.802 132 R N -0.860 119.639 120.500 -0.001 0.000 2.585 132 R HA 0.240 4.571 4.340 -0.014 0.000 0.278 132 R C -2.077 174.238 176.300 0.025 0.000 1.663 132 R CA -1.487 54.608 56.100 -0.008 0.000 1.592 132 R CB 0.866 31.121 30.300 -0.074 0.000 1.200 132 R HN 0.005 8.275 8.270 -0.000 0.000 0.611 133 P HA -0.214 4.206 4.420 -0.000 0.000 0.217 133 P C 1.112 178.450 177.300 0.063 0.000 1.148 133 P CA 1.557 64.689 63.100 0.054 0.000 0.834 133 P CB 0.327 32.050 31.700 0.039 0.000 0.783 134 T N -6.600 107.985 114.554 0.052 0.000 3.054 134 T HA 0.097 4.439 4.350 -0.014 0.000 0.255 134 T C 1.547 176.271 174.700 0.040 0.000 1.035 134 T CA -0.080 62.048 62.100 0.047 0.000 0.941 134 T CB -0.892 67.995 68.868 0.032 0.000 1.026 134 T HN 0.055 8.295 8.240 -0.000 0.000 0.533 135 H N 1.464 120.480 119.070 -0.090 0.000 2.289 135 H HA -0.069 4.478 4.556 -0.015 0.000 0.296 135 H C 1.347 176.577 175.328 -0.163 0.000 1.091 135 H CA 1.980 57.914 56.048 -0.190 0.000 1.274 135 H CB -0.777 28.745 29.762 -0.399 0.000 1.364 135 H HN 0.497 8.777 8.280 -0.000 0.000 0.490 136 F N -0.140 119.744 119.950 -0.109 0.000 2.293 136 F HA -0.047 4.471 4.527 -0.015 0.000 0.300 136 F C 2.764 178.497 175.800 -0.112 0.000 1.086 136 F CA 0.432 58.333 58.000 -0.166 0.000 1.375 136 F CB -0.298 38.669 39.000 -0.054 0.000 1.045 136 F HN 0.355 8.655 8.300 -0.000 0.000 0.516 137 A N 0.483 123.362 122.820 0.098 0.000 1.902 137 A HA -0.097 4.214 4.320 -0.014 0.000 0.217 137 A C 2.512 180.129 177.584 0.056 0.000 1.181 137 A CA 1.795 53.874 52.037 0.070 0.000 0.623 137 A CB -1.522 17.508 19.000 0.051 0.000 0.818 137 A HN 0.394 8.544 8.150 -0.000 0.000 0.443 138 G N -0.589 108.222 108.800 0.018 0.000 2.418 138 G HA2 -0.094 3.858 3.960 -0.014 0.000 0.217 138 G HA3 -0.094 3.858 3.960 -0.014 0.000 0.217 138 G C 1.517 176.466 174.900 0.081 0.000 1.158 138 G CA 1.232 46.368 45.100 0.060 0.000 0.771 138 G HN 0.311 8.601 8.290 -0.000 0.000 0.545 139 V N 1.150 121.050 119.914 -0.024 0.000 2.261 139 V HA -0.125 3.987 4.120 -0.014 0.000 0.246 139 V C 2.904 179.055 176.094 0.095 0.000 1.047 139 V CA 1.451 63.772 62.300 0.034 0.000 1.015 139 V CB -0.478 31.341 31.823 -0.006 0.000 0.642 139 V HN 0.327 8.517 8.190 -0.000 0.000 0.446 140 L N -0.423 120.845 121.223 0.075 0.000 2.141 140 L HA -0.152 4.179 4.340 -0.014 0.000 0.209 140 L C 2.590 179.532 176.870 0.120 0.000 1.094 140 L CA 1.785 56.662 54.840 0.062 0.000 0.763 140 L CB -1.142 40.927 42.059 0.017 0.000 0.908 140 L HN 0.385 8.615 8.230 -0.000 0.000 0.437 141 T N -0.220 114.421 114.554 0.144 0.000 2.708 141 T HA -0.136 4.205 4.350 -0.014 0.000 0.266 141 T C 2.065 176.883 174.700 0.198 0.000 1.037 141 T CA 1.220 63.428 62.100 0.180 0.000 1.146 141 T CB -0.149 68.839 68.868 0.199 0.000 0.865 141 T HN 0.052 8.292 8.240 -0.000 0.000 0.435 142 V N 1.160 121.218 119.914 0.239 0.000 2.307 142 V HA -0.127 3.985 4.120 -0.014 0.000 0.245 142 V C 2.660 178.866 176.094 0.186 0.000 1.045 142 V CA 1.241 63.687 62.300 0.243 0.000 1.024 142 V CB -0.625 31.410 31.823 0.352 0.000 0.651 142 V HN 0.298 8.488 8.190 -0.000 0.000 0.449 143 V N -0.208 119.825 119.914 0.198 0.000 2.343 143 V HA -0.247 3.864 4.120 -0.014 0.000 0.247 143 V C 2.397 178.588 176.094 0.162 0.000 1.051 143 V CA 2.074 64.501 62.300 0.213 0.000 1.036 143 V CB -0.609 31.343 31.823 0.214 0.000 0.654 143 V HN 0.519 8.709 8.190 -0.000 0.000 0.451 144 L N 0.358 121.667 121.223 0.143 0.000 2.012 144 L HA -0.208 4.124 4.340 -0.014 0.000 0.210 144 L C 2.391 179.314 176.870 0.089 0.000 1.073 144 L CA 2.050 56.970 54.840 0.133 0.000 0.748 144 L CB -0.760 41.402 42.059 0.171 0.000 0.891 144 L HN 0.235 8.465 8.230 -0.000 0.000 0.431 145 K N -0.778 119.665 120.400 0.071 0.000 2.057 145 K HA -0.145 4.167 4.320 -0.014 0.000 0.207 145 K C 2.090 178.703 176.600 0.021 0.000 1.049 145 K CA 1.713 58.010 56.287 0.015 0.000 0.931 145 K CB -0.348 32.124 32.500 -0.047 0.000 0.714 145 K HN 0.341 8.591 8.250 -0.000 0.000 0.440 146 L N 0.784 122.046 121.223 0.065 0.000 2.083 146 L HA -0.179 4.152 4.340 -0.014 0.000 0.209 146 L C 2.261 179.160 176.870 0.048 0.000 1.083 146 L CA 1.001 55.894 54.840 0.089 0.000 0.752 146 L CB -0.392 41.759 42.059 0.153 0.000 0.899 146 L HN 0.173 8.403 8.230 -0.000 0.000 0.433 147 L N -0.861 120.402 121.223 0.066 0.000 2.083 147 L HA -0.202 4.129 4.340 -0.014 0.000 0.209 147 L C 2.775 179.648 176.870 0.006 0.000 1.083 147 L CA 0.889 55.757 54.840 0.047 0.000 0.752 147 L CB -0.454 41.650 42.059 0.074 0.000 0.899 147 L HN 0.336 8.566 8.230 -0.000 0.000 0.433 148 Q N -0.263 119.537 119.800 0.000 0.000 2.172 148 Q HA -0.056 4.275 4.340 -0.014 0.000 0.200 148 Q C 2.285 178.246 176.000 -0.065 0.000 0.964 148 Q CA 1.355 57.141 55.803 -0.027 0.000 0.855 148 Q CB -0.076 28.647 28.738 -0.024 0.000 0.918 148 Q HN 0.551 8.821 8.270 -0.000 0.000 0.444 149 I N -0.280 120.239 120.570 -0.085 0.000 2.193 149 I HA -0.192 3.969 4.170 -0.014 0.000 0.240 149 I C 2.065 178.059 176.117 -0.205 0.000 1.084 149 I CA 0.831 62.036 61.300 -0.159 0.000 1.365 149 I CB -0.069 37.806 38.000 -0.207 0.000 1.064 149 I HN -0.067 8.143 8.210 -0.000 0.000 0.410 150 V N -0.626 119.182 119.914 -0.177 0.000 2.878 150 V HA 0.039 4.151 4.120 -0.014 0.000 0.250 150 V C 0.874 176.902 176.094 -0.110 0.000 1.075 150 V CA 0.222 62.420 62.300 -0.170 0.000 1.096 150 V CB -0.627 31.120 31.823 -0.127 0.000 0.724 150 V HN 0.400 8.590 8.190 -0.000 0.000 0.467 151 R N -0.360 120.096 120.500 -0.074 0.000 3.188 151 R HA -0.141 4.190 4.340 -0.014 0.000 0.247 151 R C -2.329 173.947 176.300 -0.040 0.000 0.918 151 R CA 0.582 56.651 56.100 -0.051 0.000 0.629 151 R CB -2.129 28.133 30.300 -0.064 0.000 1.087 151 R HN 0.449 8.719 8.270 -0.000 0.000 0.462 152 P HA 0.136 4.556 4.420 -0.000 0.000 0.276 152 P C 0.235 177.535 177.300 0.001 0.000 1.252 152 P CA -0.377 62.721 63.100 -0.004 0.000 0.802 152 P CB 0.778 32.491 31.700 0.023 0.000 1.035 153 D N 0.328 120.735 120.400 0.010 0.000 2.213 153 D HA 0.016 4.648 4.640 -0.014 0.000 0.205 153 D C 0.594 176.892 176.300 -0.003 0.000 0.961 153 D CA 1.213 55.216 54.000 0.006 0.000 0.853 153 D CB 0.492 41.300 40.800 0.014 0.000 0.967 153 D HN 0.394 8.764 8.370 -0.000 0.000 0.496 154 R N -0.078 120.430 120.500 0.014 0.000 2.698 154 R HA 0.574 4.905 4.340 -0.014 0.000 0.275 154 R C -1.313 174.948 176.300 -0.066 0.000 1.001 154 R CA -0.651 55.399 56.100 -0.083 0.000 0.896 154 R CB 3.210 33.421 30.300 -0.149 0.000 1.218 154 R HN -0.173 8.097 8.270 -0.000 0.000 0.462 155 V N 3.310 123.095 119.914 -0.215 0.000 2.656 155 V HA 0.612 4.723 4.120 -0.014 0.000 0.307 155 V C -1.593 174.271 176.094 -0.384 0.000 1.051 155 V CA -0.659 61.566 62.300 -0.126 0.000 0.893 155 V CB 1.499 33.331 31.823 0.014 0.000 0.999 155 V HN 0.572 8.762 8.190 -0.000 0.000 0.426 156 F N 6.716 126.496 119.950 -0.282 0.000 2.436 156 F HA 0.736 5.257 4.527 -0.010 0.000 0.340 156 F C -0.338 175.140 175.800 -0.536 0.000 1.113 156 F CA -0.643 57.211 58.000 -0.243 0.000 1.022 156 F CB 1.585 40.506 39.000 -0.132 0.000 1.128 156 F HN 0.338 8.638 8.300 -0.000 0.000 0.466 157 F N 0.412 120.462 119.950 0.167 0.000 2.588 157 F HA 0.648 5.168 4.527 -0.012 0.000 0.310 157 F C 0.550 176.422 175.800 0.120 0.000 1.082 157 F CA -1.236 56.841 58.000 0.129 0.000 0.929 157 F CB 1.938 40.976 39.000 0.065 0.000 1.254 157 F HN 0.566 8.866 8.300 -0.000 0.000 0.455 158 G N 0.838 109.818 108.800 0.300 0.000 2.467 158 G HA2 0.244 4.196 3.960 -0.014 0.000 0.257 158 G HA3 0.244 4.196 3.960 -0.014 0.000 0.257 158 G C 0.297 175.320 174.900 0.206 0.000 1.227 158 G CA -0.341 44.884 45.100 0.208 0.000 0.835 158 G HN 0.852 9.142 8.290 -0.000 0.000 0.556 159 E N 0.398 120.711 120.200 0.188 0.000 2.418 159 E HA -0.090 4.252 4.350 -0.014 0.000 0.197 159 E C 2.160 178.909 176.600 0.248 0.000 1.026 159 E CA 0.060 56.601 56.400 0.235 0.000 0.862 159 E CB 0.174 30.020 29.700 0.244 0.000 0.799 159 E HN 0.420 8.780 8.360 -0.000 0.000 0.518 160 K N 1.323 121.833 120.400 0.183 0.000 2.044 160 K HA -0.150 4.161 4.320 -0.014 0.000 0.210 160 K C 0.260 176.978 176.600 0.197 0.000 1.049 160 K CA 1.139 57.521 56.287 0.159 0.000 0.927 160 K CB -0.090 32.484 32.500 0.123 0.000 0.713 160 K HN 0.094 8.344 8.250 -0.000 0.000 0.443 161 D N 0.500 121.024 120.400 0.207 0.000 2.631 161 D HA -0.026 4.605 4.640 -0.014 0.000 0.227 161 D C 0.630 177.048 176.300 0.196 0.000 1.146 161 D CA -0.106 54.029 54.000 0.224 0.000 1.009 161 D CB 0.056 40.996 40.800 0.234 0.000 1.057 161 D HN 0.147 8.517 8.370 -0.000 0.000 0.509 162 Y N 1.790 122.152 120.300 0.103 0.000 2.128 162 Y HA -0.286 4.255 4.550 -0.015 0.000 0.284 162 Y C 2.512 178.413 175.900 0.003 0.000 1.154 162 Y CA 1.895 60.028 58.100 0.055 0.000 1.149 162 Y CB 0.227 38.719 38.460 0.053 0.000 0.976 162 Y HN 0.220 8.500 8.280 -0.000 0.000 0.505 163 Q N -0.081 119.780 119.800 0.103 0.000 2.061 163 Q HA -0.335 3.996 4.340 -0.014 0.000 0.204 163 Q C 2.426 178.227 176.000 -0.333 0.000 0.984 163 Q CA 2.130 57.878 55.803 -0.092 0.000 0.846 163 Q CB -0.276 28.477 28.738 0.026 0.000 0.902 163 Q HN 0.684 8.954 8.270 -0.000 0.000 0.421 164 Q N -0.090 119.630 119.800 -0.135 0.000 2.045 164 Q HA -0.236 4.095 4.340 -0.014 0.000 0.206 164 Q C 2.145 177.942 176.000 -0.339 0.000 0.991 164 Q CA 1.754 57.466 55.803 -0.152 0.000 0.851 164 Q CB -0.280 28.556 28.738 0.164 0.000 0.911 164 Q HN 0.447 8.717 8.270 -0.000 0.000 0.418 165 L N 0.193 121.231 121.223 -0.309 0.000 2.013 165 L HA -0.172 4.160 4.340 -0.014 0.000 0.212 165 L C 2.223 178.844 176.870 -0.414 0.000 1.073 165 L CA 1.666 56.283 54.840 -0.372 0.000 0.753 165 L CB -0.757 41.117 42.059 -0.307 0.000 0.890 165 L HN 0.179 8.409 8.230 -0.000 0.000 0.432 166 V N -0.405 119.222 119.914 -0.477 0.000 2.343 166 V HA -0.300 3.812 4.120 -0.014 0.000 0.247 166 V C 2.590 178.480 176.094 -0.339 0.000 1.051 166 V CA 2.000 64.064 62.300 -0.393 0.000 1.036 166 V CB -0.568 31.040 31.823 -0.358 0.000 0.654 166 V HN 0.459 8.649 8.190 -0.000 0.000 0.451 167 L N -0.780 120.200 121.223 -0.405 0.000 2.141 167 L HA -0.124 4.207 4.340 -0.014 0.000 0.209 167 L C 2.380 179.051 176.870 -0.331 0.000 1.094 167 L CA 0.932 55.537 54.840 -0.391 0.000 0.763 167 L CB -0.404 41.329 42.059 -0.544 0.000 0.908 167 L HN 0.260 8.490 8.230 -0.000 0.000 0.437 168 I N -0.144 120.206 120.570 -0.366 0.000 2.315 168 I HA -0.222 3.939 4.170 -0.014 0.000 0.248 168 I C 2.605 178.577 176.117 -0.243 0.000 1.117 168 I CA 1.410 62.504 61.300 -0.344 0.000 1.404 168 I CB -0.973 36.682 38.000 -0.576 0.000 1.071 168 I HN 0.286 8.496 8.210 -0.000 0.000 0.419 169 R N 0.339 120.699 120.500 -0.234 0.000 2.115 169 R HA -0.146 4.186 4.340 -0.014 0.000 0.230 169 R C 2.198 178.396 176.300 -0.169 0.000 1.111 169 R CA 0.988 56.986 56.100 -0.170 0.000 0.976 169 R CB -0.179 30.025 30.300 -0.161 0.000 0.870 169 R HN 0.534 8.804 8.270 -0.000 0.000 0.445 170 Q N 0.435 120.112 119.800 -0.205 0.000 2.119 170 Q HA -0.146 4.186 4.340 -0.014 0.000 0.201 170 Q C 2.186 178.028 176.000 -0.263 0.000 0.972 170 Q CA 1.023 56.701 55.803 -0.208 0.000 0.847 170 Q CB -0.153 28.455 28.738 -0.216 0.000 0.903 170 Q HN 0.198 8.468 8.270 -0.000 0.000 0.433 171 L N 0.367 121.415 121.223 -0.293 0.000 1.989 171 L HA -0.181 4.151 4.340 -0.014 0.000 0.211 171 L C 2.167 178.876 176.870 -0.269 0.000 1.071 171 L CA 1.523 56.132 54.840 -0.384 0.000 0.749 171 L CB -0.531 41.373 42.059 -0.258 0.000 0.890 171 L HN -0.030 8.200 8.230 -0.000 0.000 0.431 172 V N 0.144 119.973 119.914 -0.141 0.000 2.392 172 V HA -0.307 3.805 4.120 -0.014 0.000 0.249 172 V C 2.748 178.811 176.094 -0.051 0.000 1.059 172 V CA 1.752 64.018 62.300 -0.058 0.000 1.051 172 V CB -1.285 30.512 31.823 -0.043 0.000 0.658 172 V HN 0.655 8.845 8.190 -0.000 0.000 0.455 173 A N -0.302 122.465 122.820 -0.088 0.000 1.874 173 A HA -0.168 4.144 4.320 -0.014 0.000 0.214 173 A C 1.969 179.520 177.584 -0.055 0.000 1.189 173 A CA 1.630 53.629 52.037 -0.063 0.000 0.615 173 A CB -0.540 18.415 19.000 -0.075 0.000 0.830 173 A HN 0.511 8.661 8.150 -0.000 0.000 0.443 174 D N -0.706 119.615 120.400 -0.132 0.000 2.178 174 D HA -0.059 4.572 4.640 -0.014 0.000 0.202 174 D C 1.000 177.352 176.300 0.086 0.000 0.974 174 D CA 0.981 54.911 54.000 -0.117 0.000 0.841 174 D CB -0.289 40.327 40.800 -0.306 0.000 0.953 174 D HN 0.619 8.989 8.370 -0.000 0.000 0.478 175 F N -0.237 119.700 119.950 -0.022 0.000 2.639 175 F HA 0.126 4.644 4.527 -0.015 0.000 0.300 175 F C -0.021 175.769 175.800 -0.016 0.000 1.109 175 F CA -0.733 57.257 58.000 -0.017 0.000 1.335 175 F CB -0.223 38.769 39.000 -0.014 0.000 1.014 175 F HN -0.212 8.088 8.300 -0.000 0.000 0.537 176 N N 1.420 120.207 118.700 0.144 0.000 2.727 176 N HA -0.207 4.525 4.740 -0.014 0.000 0.249 176 N C -0.751 174.798 175.510 0.066 0.000 1.048 176 N CA 0.259 53.354 53.050 0.075 0.000 0.714 176 N CB -1.542 36.980 38.487 0.059 0.000 0.959 176 N HN 0.289 8.669 8.380 -0.000 0.000 0.544 177 L N -0.237 121.029 121.223 0.073 0.000 2.397 177 L HA 0.213 4.544 4.340 -0.014 0.000 0.271 177 L C 0.818 177.704 176.870 0.025 0.000 1.148 177 L CA -0.186 54.688 54.840 0.057 0.000 0.825 177 L CB 0.550 42.650 42.059 0.070 0.000 1.117 177 L HN 0.124 8.354 8.230 -0.000 0.000 0.456 178 D N 3.099 123.509 120.400 0.017 0.000 2.564 178 D HA 0.380 5.012 4.640 -0.014 0.000 0.226 178 D C -1.012 175.288 176.300 0.000 0.000 1.149 178 D CA -0.006 53.997 54.000 0.004 0.000 0.994 178 D CB 0.605 41.405 40.800 -0.000 0.000 1.029 178 D HN 0.185 8.555 8.370 -0.000 0.000 0.517 179 V N 1.495 121.407 119.914 -0.002 0.000 3.077 179 V HA 0.743 4.855 4.120 -0.014 0.000 0.299 179 V C -1.276 174.802 176.094 -0.026 0.000 1.276 179 V CA -0.666 61.629 62.300 -0.010 0.000 0.993 179 V CB 1.894 33.721 31.823 0.007 0.000 1.076 179 V HN 0.443 8.633 8.190 -0.000 0.000 0.434 180 A N 5.042 127.832 122.820 -0.051 0.000 2.309 180 A HA 0.780 5.091 4.320 -0.014 0.000 0.298 180 A C -0.642 176.871 177.584 -0.119 0.000 1.165 180 A CA -0.396 51.595 52.037 -0.078 0.000 0.821 180 A CB 1.231 20.178 19.000 -0.089 0.000 1.102 180 A HN 1.134 9.284 8.150 -0.000 0.000 0.500 181 V N 3.588 123.444 119.914 -0.096 0.000 2.370 181 V HA 0.338 4.450 4.120 -0.014 0.000 0.279 181 V C -0.244 175.767 176.094 -0.139 0.000 1.029 181 V CA -0.358 61.894 62.300 -0.080 0.000 0.870 181 V CB 1.283 33.097 31.823 -0.014 0.000 0.984 181 V HN 0.600 8.790 8.190 -0.000 0.000 0.451 182 V N 4.368 124.124 119.914 -0.264 0.000 2.357 182 V HA 0.623 4.735 4.120 -0.014 0.000 0.284 182 V C 0.776 176.844 176.094 -0.044 0.000 1.018 182 V CA -0.430 61.718 62.300 -0.253 0.000 0.841 182 V CB 1.574 33.012 31.823 -0.641 0.000 0.991 182 V HN 0.922 9.112 8.190 -0.000 0.000 0.437 183 G N 3.719 112.540 108.800 0.035 0.000 2.338 183 G HA2 0.542 4.493 3.960 -0.014 0.000 0.298 183 G HA3 0.542 4.493 3.960 -0.014 0.000 0.298 183 G C -0.721 174.262 174.900 0.139 0.000 1.140 183 G CA -0.287 44.878 45.100 0.107 0.000 0.860 183 G HN 0.537 8.827 8.290 -0.000 0.000 0.470 184 V N 4.680 124.699 119.914 0.175 0.000 2.435 184 V HA 0.306 4.417 4.120 -0.014 0.000 0.290 184 V C -1.925 174.251 176.094 0.136 0.000 1.030 184 V CA -1.630 60.769 62.300 0.164 0.000 0.881 184 V CB 2.118 34.053 31.823 0.187 0.000 0.983 184 V HN 0.582 8.772 8.190 -0.000 0.000 0.445 185 P HA 0.065 4.485 4.420 -0.000 0.000 0.266 185 P C 0.015 177.368 177.300 0.088 0.000 1.193 185 P CA 0.209 63.367 63.100 0.097 0.000 0.770 185 P CB 0.201 31.947 31.700 0.077 0.000 0.836 186 T N 1.772 116.376 114.554 0.083 0.000 2.930 186 T HA 0.161 4.502 4.350 -0.014 0.000 0.306 186 T C 0.294 175.022 174.700 0.048 0.000 1.045 186 T CA -0.185 61.956 62.100 0.069 0.000 1.134 186 T CB 0.152 69.057 68.868 0.062 0.000 0.961 186 T HN 0.032 8.272 8.240 -0.000 0.000 0.545 187 V N 4.663 124.600 119.914 0.038 0.000 2.481 187 V HA 0.463 4.575 4.120 -0.014 0.000 0.286 187 V C 0.429 176.523 176.094 0.000 0.000 1.042 187 V CA -0.630 61.685 62.300 0.024 0.000 0.928 187 V CB 1.309 33.151 31.823 0.032 0.000 0.986 187 V HN 0.746 8.936 8.190 -0.000 0.000 0.462 188 R N 2.372 122.870 120.500 -0.003 0.000 2.803 188 R HA 0.536 4.868 4.340 -0.014 0.000 0.276 188 R C -0.740 175.547 176.300 -0.022 0.000 0.978 188 R CA -1.003 55.087 56.100 -0.016 0.000 0.939 188 R CB 1.784 32.081 30.300 -0.005 0.000 1.179 188 R HN 0.575 8.845 8.270 -0.000 0.000 0.472 189 E N 0.692 120.872 120.200 -0.033 0.000 2.416 189 E HA 0.038 4.379 4.350 -0.014 0.000 0.254 189 E C 0.999 177.588 176.600 -0.019 0.000 1.241 189 E CA 0.173 56.554 56.400 -0.031 0.000 0.969 189 E CB 0.598 30.274 29.700 -0.040 0.000 0.999 189 E HN 0.758 9.118 8.360 -0.000 0.000 0.481 190 A N 1.528 124.339 122.820 -0.016 0.000 1.948 190 A HA -0.233 4.078 4.320 -0.014 0.000 0.220 190 A C 1.315 178.892 177.584 -0.011 0.000 1.177 190 A CA 2.284 54.314 52.037 -0.011 0.000 0.636 190 A CB -0.504 18.490 19.000 -0.010 0.000 0.815 190 A HN 0.597 8.747 8.150 -0.000 0.000 0.449 191 D N -2.885 117.507 120.400 -0.014 0.000 2.340 191 D HA 0.306 4.938 4.640 -0.014 0.000 0.220 191 D C 1.147 177.440 176.300 -0.012 0.000 1.039 191 D CA 1.083 55.075 54.000 -0.013 0.000 0.866 191 D CB -0.292 40.499 40.800 -0.014 0.000 0.913 191 D HN 0.802 9.172 8.370 -0.000 0.000 0.523 192 G N -0.057 108.736 108.800 -0.012 0.000 2.238 192 G HA2 -0.235 3.717 3.960 -0.014 0.000 0.217 192 G HA3 -0.235 3.717 3.960 -0.014 0.000 0.217 192 G C -0.023 174.869 174.900 -0.013 0.000 0.996 192 G CA -0.099 44.996 45.100 -0.008 0.000 0.632 192 G HN 0.433 8.723 8.290 -0.000 0.000 0.503 193 L N 2.490 123.700 121.223 -0.021 0.000 2.559 193 L HA 0.632 4.964 4.340 -0.014 0.000 0.274 193 L C 1.032 177.879 176.870 -0.038 0.000 1.205 193 L CA 0.385 55.208 54.840 -0.030 0.000 0.907 193 L CB 0.285 42.321 42.059 -0.038 0.000 1.153 193 L HN 0.995 9.225 8.230 -0.000 0.000 0.490 194 A N 7.051 129.852 122.820 -0.033 0.000 2.488 194 A HA 0.266 4.577 4.320 -0.014 0.000 0.249 194 A C 0.419 177.954 177.584 -0.082 0.000 1.083 194 A CA -0.344 51.671 52.037 -0.036 0.000 0.768 194 A CB -0.234 18.760 19.000 -0.011 0.000 1.017 194 A HN 0.835 8.985 8.150 -0.000 0.000 0.496 195 M N 2.298 121.827 119.600 -0.119 0.000 2.239 195 M HA 0.279 4.750 4.480 -0.014 0.000 0.348 195 M C 0.487 176.569 176.300 -0.363 0.000 1.239 195 M CA 0.790 55.930 55.300 -0.265 0.000 1.114 195 M CB 0.541 32.959 32.600 -0.304 0.000 1.641 195 M HN 0.774 9.064 8.290 -0.000 0.000 0.453 196 S N 0.364 115.794 115.700 -0.450 0.000 2.543 196 S HA 0.249 4.710 4.470 -0.014 0.000 0.274 196 S C 0.587 175.067 174.600 -0.199 0.000 1.149 196 S CA -0.365 57.683 58.200 -0.253 0.000 0.866 196 S CB 1.317 64.474 63.200 -0.072 0.000 1.111 196 S HN 0.804 9.114 8.310 -0.000 0.000 0.457 197 S N 3.283 119.016 115.700 0.056 0.000 2.469 197 S HA -0.050 4.412 4.470 -0.014 0.000 0.238 197 S C 1.504 175.965 174.600 -0.231 0.000 0.998 197 S CA 0.731 58.946 58.200 0.024 0.000 0.957 197 S CB -0.316 62.983 63.200 0.165 0.000 0.764 197 S HN 0.693 9.003 8.310 -0.000 0.000 0.514 198 R N 1.644 122.056 120.500 -0.147 0.000 2.189 198 R HA 0.210 4.541 4.340 -0.014 0.000 0.218 198 R C 1.705 177.860 176.300 -0.242 0.000 1.074 198 R CA 0.828 56.823 56.100 -0.176 0.000 0.991 198 R CB -0.307 30.023 30.300 0.050 0.000 0.883 198 R HN 0.412 8.682 8.270 -0.000 0.000 0.457 199 N N 0.978 119.557 118.700 -0.203 0.000 2.289 199 N HA -0.187 4.544 4.740 -0.014 0.000 0.184 199 N C 1.382 176.788 175.510 -0.174 0.000 1.016 199 N CA 1.238 54.199 53.050 -0.149 0.000 0.872 199 N CB -0.174 38.233 38.487 -0.133 0.000 0.973 199 N HN 0.419 8.799 8.380 -0.000 0.000 0.433 200 R N -0.145 120.167 120.500 -0.315 0.000 2.237 200 R HA -0.069 4.263 4.340 -0.014 0.000 0.219 200 R C 1.059 177.277 176.300 -0.136 0.000 1.080 200 R CA 0.985 56.928 56.100 -0.260 0.000 0.995 200 R CB -0.720 29.382 30.300 -0.329 0.000 0.875 200 R HN 0.382 8.652 8.270 -0.000 0.000 0.462 201 Y N 1.258 121.557 120.300 -0.001 0.000 2.490 201 Y HA 0.213 4.755 4.550 -0.014 0.000 0.281 201 Y C 0.542 176.437 175.900 -0.007 0.000 1.174 201 Y CA -0.810 57.288 58.100 -0.003 0.000 1.295 201 Y CB 0.297 38.755 38.460 -0.003 0.000 1.062 201 Y HN -0.086 8.194 8.280 -0.000 0.000 0.522 202 L N 2.226 123.507 121.223 0.096 0.000 2.319 202 L HA 0.129 4.461 4.340 -0.014 0.000 0.280 202 L C 0.055 176.949 176.870 0.039 0.000 1.099 202 L CA -0.807 54.065 54.840 0.054 0.000 0.828 202 L CB 0.327 42.396 42.059 0.017 0.000 1.150 202 L HN 0.204 8.434 8.230 -0.000 0.000 0.442 203 D N 3.457 123.878 120.400 0.035 0.000 2.384 203 D HA 0.143 4.775 4.640 -0.014 0.000 0.244 203 D C -1.953 174.355 176.300 0.012 0.000 1.251 203 D CA -1.717 52.297 54.000 0.024 0.000 0.961 203 D CB 0.186 40.998 40.800 0.020 0.000 1.116 203 D HN 0.136 8.506 8.370 -0.000 0.000 0.484 204 P HA -0.192 4.228 4.420 -0.000 0.000 0.216 204 P C 1.262 178.562 177.300 0.000 0.000 1.157 204 P CA 2.758 65.859 63.100 0.002 0.000 0.880 204 P CB -0.148 31.553 31.700 0.002 0.000 0.791 205 A N -0.595 122.226 122.820 0.001 0.000 1.902 205 A HA -0.263 4.049 4.320 -0.014 0.000 0.217 205 A C 2.228 179.811 177.584 -0.001 0.000 1.181 205 A CA 1.662 53.699 52.037 -0.001 0.000 0.623 205 A CB -1.302 17.698 19.000 -0.000 0.000 0.818 205 A HN 0.222 8.372 8.150 -0.000 0.000 0.443 206 Q N -1.146 118.655 119.800 0.002 0.000 2.124 206 Q HA -0.206 4.126 4.340 -0.014 0.000 0.202 206 Q C 2.314 178.312 176.000 -0.003 0.000 0.977 206 Q CA 1.573 57.377 55.803 0.001 0.000 0.850 206 Q CB -0.201 28.543 28.738 0.009 0.000 0.901 206 Q HN 0.568 8.838 8.270 -0.000 0.000 0.429 207 R N 1.217 121.715 120.500 -0.004 0.000 2.081 207 R HA -0.114 4.218 4.340 -0.014 0.000 0.235 207 R C 1.957 178.249 176.300 -0.012 0.000 1.131 207 R CA 1.770 57.863 56.100 -0.011 0.000 0.960 207 R CB -0.777 29.516 30.300 -0.012 0.000 0.856 207 R HN 0.236 8.506 8.270 -0.000 0.000 0.436 208 A N 0.222 123.037 122.820 -0.009 0.000 1.902 208 A HA 0.012 4.324 4.320 -0.014 0.000 0.217 208 A C 2.389 179.967 177.584 -0.010 0.000 1.181 208 A CA 1.759 53.791 52.037 -0.010 0.000 0.623 208 A CB -1.078 17.917 19.000 -0.007 0.000 0.818 208 A HN 0.497 8.647 8.150 -0.000 0.000 0.443 209 A N -0.172 122.643 122.820 -0.009 0.000 1.930 209 A HA 0.216 4.528 4.320 -0.014 0.000 0.217 209 A C 2.426 180.003 177.584 -0.013 0.000 1.175 209 A CA 1.769 53.800 52.037 -0.010 0.000 0.627 209 A CB -0.953 18.042 19.000 -0.009 0.000 0.815 209 A HN 1.125 9.275 8.150 -0.000 0.000 0.443 210 A N -0.525 122.287 122.820 -0.014 0.000 2.084 210 A HA -0.074 4.238 4.320 -0.014 0.000 0.221 210 A C 2.175 179.748 177.584 -0.018 0.000 1.161 210 A CA 1.622 53.649 52.037 -0.017 0.000 0.653 210 A CB -1.008 17.980 19.000 -0.019 0.000 0.802 210 A HN 0.786 8.936 8.150 -0.000 0.000 0.457 211 V N -0.315 119.590 119.914 -0.016 0.000 2.688 211 V HA -0.203 3.908 4.120 -0.014 0.000 0.256 211 V C 2.665 178.751 176.094 -0.013 0.000 1.084 211 V CA 1.984 64.275 62.300 -0.015 0.000 1.103 211 V CB -0.786 31.029 31.823 -0.013 0.000 0.688 211 V HN 0.640 8.830 8.190 -0.000 0.000 0.480 212 A N -0.354 122.458 122.820 -0.013 0.000 1.940 212 A HA -0.188 4.123 4.320 -0.014 0.000 0.219 212 A C 2.038 179.615 177.584 -0.012 0.000 1.176 212 A CA 2.111 54.142 52.037 -0.012 0.000 0.631 212 A CB -0.544 18.449 19.000 -0.013 0.000 0.814 212 A HN 0.522 8.672 8.150 -0.000 0.000 0.446 213 L N 0.592 121.805 121.223 -0.016 0.000 1.970 213 L HA -0.207 4.124 4.340 -0.014 0.000 0.212 213 L C 3.089 179.954 176.870 -0.008 0.000 1.071 213 L CA 2.558 57.388 54.840 -0.018 0.000 0.751 213 L CB -0.799 41.245 42.059 -0.024 0.000 0.889 213 L HN 0.581 8.811 8.230 -0.000 0.000 0.432 214 S N -1.026 114.670 115.700 -0.006 0.000 2.383 214 S HA -0.095 4.367 4.470 -0.014 0.000 0.227 214 S C 2.123 176.727 174.600 0.006 0.000 1.026 214 S CA 0.689 58.890 58.200 0.001 0.000 0.981 214 S CB -0.741 62.458 63.200 -0.001 0.000 0.818 214 S HN 0.319 8.629 8.310 -0.000 0.000 0.472 215 A N 2.202 125.023 122.820 0.001 0.000 1.902 215 A HA 0.303 4.614 4.320 -0.014 0.000 0.217 215 A C 2.536 180.126 177.584 0.010 0.000 1.181 215 A CA 1.709 53.748 52.037 0.003 0.000 0.623 215 A CB -1.464 17.534 19.000 -0.003 0.000 0.818 215 A HN 0.841 8.991 8.150 -0.000 0.000 0.443 216 A N -0.673 122.151 122.820 0.006 0.000 1.902 216 A HA -0.000 4.311 4.320 -0.014 0.000 0.217 216 A C 1.999 179.593 177.584 0.017 0.000 1.181 216 A CA 1.703 53.745 52.037 0.009 0.000 0.623 216 A CB -0.501 18.500 19.000 0.002 0.000 0.818 216 A HN 0.385 8.535 8.150 -0.000 0.000 0.443 217 L N -0.193 121.039 121.223 0.015 0.000 2.056 217 L HA -0.095 4.236 4.340 -0.014 0.000 0.207 217 L C 2.702 179.594 176.870 0.037 0.000 1.078 217 L CA 2.394 57.244 54.840 0.017 0.000 0.749 217 L CB -1.395 40.669 42.059 0.008 0.000 0.901 217 L HN 0.383 8.613 8.230 -0.000 0.000 0.433 218 T N -0.594 113.993 114.554 0.055 0.000 2.821 218 T HA -0.116 4.226 4.350 -0.014 0.000 0.267 218 T C 1.984 176.791 174.700 0.178 0.000 1.046 218 T CA 1.118 63.288 62.100 0.118 0.000 1.139 218 T CB -0.336 68.587 68.868 0.091 0.000 0.871 218 T HN 0.378 8.618 8.240 -0.000 0.000 0.454 219 A N 1.648 124.524 122.820 0.093 0.000 1.908 219 A HA 0.116 4.427 4.320 -0.014 0.000 0.218 219 A C 2.659 180.298 177.584 0.092 0.000 1.181 219 A CA 1.873 53.959 52.037 0.082 0.000 0.627 219 A CB -1.150 17.872 19.000 0.036 0.000 0.818 219 A HN 0.509 8.659 8.150 -0.000 0.000 0.445 220 A N -0.158 122.696 122.820 0.057 0.000 1.902 220 A HA 0.160 4.471 4.320 -0.014 0.000 0.217 220 A C 2.515 180.107 177.584 0.013 0.000 1.181 220 A CA 2.102 54.157 52.037 0.030 0.000 0.623 220 A CB -1.074 17.934 19.000 0.013 0.000 0.818 220 A HN 1.127 9.277 8.150 -0.000 0.000 0.443 221 A N -0.869 121.952 122.820 0.002 0.000 1.940 221 A HA -0.194 4.118 4.320 -0.014 0.000 0.219 221 A C 1.903 179.366 177.584 -0.202 0.000 1.176 221 A CA 2.041 54.015 52.037 -0.104 0.000 0.631 221 A CB -0.784 18.133 19.000 -0.140 0.000 0.814 221 A HN 0.701 8.851 8.150 -0.000 0.000 0.446 222 H N -1.370 117.696 119.070 -0.006 0.000 2.544 222 H HA 0.388 4.935 4.556 -0.015 0.000 0.269 222 H C 2.188 177.514 175.328 -0.004 0.000 0.970 222 H CA 0.729 56.774 56.048 -0.005 0.000 1.219 222 H CB 0.066 29.825 29.762 -0.004 0.000 1.421 222 H HN 0.504 8.784 8.280 -0.000 0.000 0.555 223 A N 0.885 123.754 122.820 0.081 0.000 2.067 223 A HA 0.098 4.410 4.320 -0.014 0.000 0.217 223 A C 2.405 179.999 177.584 0.017 0.000 1.156 223 A CA 0.878 52.943 52.037 0.046 0.000 0.683 223 A CB -0.730 18.291 19.000 0.035 0.000 0.808 223 A HN 0.418 8.568 8.150 -0.000 0.000 0.455 224 A N 0.366 123.184 122.820 -0.004 0.000 2.093 224 A HA -0.205 4.107 4.320 -0.014 0.000 0.222 224 A C 2.296 179.871 177.584 -0.014 0.000 1.162 224 A CA 2.449 54.475 52.037 -0.019 0.000 0.655 224 A CB -1.472 17.500 19.000 -0.045 0.000 0.805 224 A HN 0.806 8.956 8.150 -0.000 0.000 0.461 225 T N -2.638 111.911 114.554 -0.007 0.000 2.929 225 T HA 0.133 4.474 4.350 -0.014 0.000 0.271 225 T C 1.497 176.197 174.700 0.000 0.000 1.085 225 T CA 1.260 63.358 62.100 -0.003 0.000 1.125 225 T CB -0.357 68.514 68.868 0.006 0.000 0.874 225 T HN 0.697 8.937 8.240 -0.000 0.000 0.494 226 A N 0.927 123.749 122.820 0.003 0.000 2.337 226 A HA 0.650 4.962 4.320 -0.014 0.000 0.227 226 A C 1.232 178.817 177.584 0.001 0.000 1.259 226 A CA 0.179 52.218 52.037 0.004 0.000 0.870 226 A CB -0.929 18.075 19.000 0.007 0.000 0.927 226 A HN 1.344 9.494 8.150 -0.000 0.000 0.497 227 G N -2.701 106.098 108.800 -0.003 0.000 2.612 227 G HA2 0.287 4.239 3.960 -0.014 0.000 0.686 227 G HA3 0.287 4.239 3.960 -0.014 0.000 0.686 227 G C 0.715 175.613 174.900 -0.005 0.000 1.274 227 G CA -0.293 44.804 45.100 -0.004 0.000 0.849 227 G HN 1.224 9.514 8.290 -0.000 0.000 0.595 228 A N -0.468 122.349 122.820 -0.006 0.000 1.902 228 A HA 0.001 4.313 4.320 -0.014 0.000 0.217 228 A C 2.292 179.875 177.584 -0.001 0.000 1.181 228 A CA 2.715 54.748 52.037 -0.006 0.000 0.623 228 A CB -0.439 18.556 19.000 -0.007 0.000 0.818 228 A HN 1.221 9.371 8.150 -0.000 0.000 0.443 229 Q N -0.244 119.556 119.800 0.001 0.000 2.119 229 Q HA 0.021 4.352 4.340 -0.014 0.000 0.201 229 Q C 2.037 178.040 176.000 0.005 0.000 0.972 229 Q CA 1.865 57.670 55.803 0.003 0.000 0.847 229 Q CB -0.606 28.134 28.738 0.003 0.000 0.903 229 Q HN 0.570 8.840 8.270 -0.000 0.000 0.433 230 A N -0.009 122.814 122.820 0.004 0.000 1.930 230 A HA -0.016 4.295 4.320 -0.014 0.000 0.217 230 A C 2.239 179.828 177.584 0.008 0.000 1.175 230 A CA 1.702 53.743 52.037 0.006 0.000 0.627 230 A CB -1.006 17.998 19.000 0.006 0.000 0.815 230 A HN 0.462 8.612 8.150 -0.000 0.000 0.443 231 A N -0.442 122.382 122.820 0.006 0.000 1.898 231 A HA -0.014 4.298 4.320 -0.014 0.000 0.216 231 A C 2.191 179.780 177.584 0.008 0.000 1.181 231 A CA 1.410 53.451 52.037 0.006 0.000 0.620 231 A CB -0.543 18.456 19.000 -0.003 0.000 0.819 231 A HN 0.464 8.614 8.150 -0.000 0.000 0.442 232 L N -0.587 120.641 121.223 0.007 0.000 2.056 232 L HA -0.175 4.156 4.340 -0.014 0.000 0.207 232 L C 1.976 178.853 176.870 0.012 0.000 1.078 232 L CA 1.530 56.377 54.840 0.011 0.000 0.749 232 L CB -0.492 41.575 42.059 0.012 0.000 0.901 232 L HN 0.345 8.575 8.230 -0.000 0.000 0.433 233 D N -0.049 120.357 120.400 0.011 0.000 2.144 233 D HA -0.157 4.474 4.640 -0.014 0.000 0.199 233 D C 2.160 178.466 176.300 0.010 0.000 0.984 233 D CA 1.376 55.382 54.000 0.010 0.000 0.834 233 D CB -0.006 40.800 40.800 0.009 0.000 0.955 233 D HN 0.338 8.708 8.370 -0.000 0.000 0.465 234 A N 1.016 123.843 122.820 0.012 0.000 1.902 234 A HA -0.040 4.272 4.320 -0.014 0.000 0.217 234 A C 2.316 179.908 177.584 0.013 0.000 1.181 234 A CA 2.221 54.266 52.037 0.013 0.000 0.623 234 A CB -0.753 18.258 19.000 0.019 0.000 0.818 234 A HN 0.233 8.383 8.150 -0.000 0.000 0.443 235 A N -0.066 122.762 122.820 0.014 0.000 1.877 235 A HA -0.163 4.149 4.320 -0.014 0.000 0.216 235 A C 2.186 179.775 177.584 0.009 0.000 1.186 235 A CA 2.216 54.260 52.037 0.012 0.000 0.620 235 A CB -0.475 18.533 19.000 0.013 0.000 0.822 235 A HN 0.480 8.630 8.150 -0.000 0.000 0.443 236 R N 0.331 120.837 120.500 0.010 0.000 2.105 236 R HA -0.044 4.287 4.340 -0.014 0.000 0.239 236 R C 2.066 178.370 176.300 0.005 0.000 1.135 236 R CA 2.038 58.143 56.100 0.008 0.000 0.967 236 R CB -0.919 29.388 30.300 0.012 0.000 0.861 236 R HN 0.388 8.658 8.270 -0.000 0.000 0.442 237 A N -0.251 122.572 122.820 0.006 0.000 1.902 237 A HA -0.073 4.239 4.320 -0.014 0.000 0.217 237 A C 2.346 179.931 177.584 0.002 0.000 1.181 237 A CA 1.685 53.724 52.037 0.004 0.000 0.623 237 A CB -0.681 18.322 19.000 0.005 0.000 0.818 237 A HN 0.191 8.341 8.150 -0.000 0.000 0.443 238 V N -0.016 119.899 119.914 0.002 0.000 2.343 238 V HA -0.245 3.867 4.120 -0.014 0.000 0.247 238 V C 2.552 178.645 176.094 -0.003 0.000 1.051 238 V CA 1.972 64.272 62.300 -0.000 0.000 1.036 238 V CB -0.697 31.126 31.823 0.001 0.000 0.654 238 V HN 0.564 8.754 8.190 -0.000 0.000 0.451 239 L N -0.445 120.776 121.223 -0.004 0.000 2.093 239 L HA -0.140 4.192 4.340 -0.014 0.000 0.208 239 L C 2.263 179.129 176.870 -0.007 0.000 1.085 239 L CA 1.346 56.182 54.840 -0.008 0.000 0.755 239 L CB -0.652 41.400 42.059 -0.011 0.000 0.904 239 L HN 0.295 8.525 8.230 -0.000 0.000 0.435 240 D N 0.195 120.593 120.400 -0.003 0.000 2.263 240 D HA -0.115 4.517 4.640 -0.014 0.000 0.208 240 D C 2.027 178.325 176.300 -0.003 0.000 0.971 240 D CA 1.271 55.270 54.000 -0.003 0.000 0.867 240 D CB 0.143 40.943 40.800 -0.000 0.000 0.929 240 D HN 0.315 8.685 8.370 -0.000 0.000 0.492 241 A N 0.041 122.859 122.820 -0.003 0.000 2.218 241 A HA 0.386 4.698 4.320 -0.014 0.000 0.209 241 A C 1.168 178.749 177.584 -0.005 0.000 1.168 241 A CA 0.339 52.374 52.037 -0.004 0.000 0.804 241 A CB 0.073 19.071 19.000 -0.003 0.000 0.834 241 A HN 0.136 8.286 8.150 -0.000 0.000 0.482 242 A N 2.135 124.951 122.820 -0.006 0.000 2.302 242 A HA 0.561 4.873 4.320 -0.014 0.000 0.295 242 A C -2.335 175.244 177.584 -0.008 0.000 1.235 242 A CA -1.644 50.389 52.037 -0.008 0.000 0.876 242 A CB -0.136 18.857 19.000 -0.010 0.000 1.133 242 A HN 0.264 8.415 8.150 -0.000 0.000 0.533 243 P HA 0.096 4.516 4.420 -0.000 0.000 0.263 243 P C 0.872 178.168 177.300 -0.007 0.000 1.195 243 P CA 1.457 64.553 63.100 -0.006 0.000 0.762 243 P CB 0.625 32.322 31.700 -0.005 0.000 0.799 244 G N 2.180 110.976 108.800 -0.007 0.000 2.187 244 G HA2 -0.214 3.738 3.960 -0.014 0.000 0.261 244 G HA3 -0.214 3.738 3.960 -0.014 0.000 0.261 244 G C -0.011 174.883 174.900 -0.010 0.000 1.000 244 G CA -0.009 45.087 45.100 -0.007 0.000 0.718 244 G HN 0.545 8.835 8.290 -0.000 0.000 0.519 245 V N 0.584 120.491 119.914 -0.013 0.000 2.350 245 V HA 0.718 4.829 4.120 -0.014 0.000 0.276 245 V C 0.616 176.698 176.094 -0.020 0.000 1.028 245 V CA -0.220 62.070 62.300 -0.018 0.000 0.860 245 V CB 1.414 33.225 31.823 -0.020 0.000 0.990 245 V HN 1.023 9.213 8.190 -0.000 0.000 0.453 246 A N 5.511 128.317 122.820 -0.023 0.000 2.253 246 A HA 0.696 5.008 4.320 -0.014 0.000 0.316 246 A C -0.349 177.212 177.584 -0.037 0.000 1.327 246 A CA -0.451 51.572 52.037 -0.023 0.000 0.917 246 A CB 0.747 19.737 19.000 -0.018 0.000 1.162 246 A HN 0.634 8.784 8.150 -0.000 0.000 0.535 247 V N 3.622 123.514 119.914 -0.037 0.000 2.455 247 V HA 0.072 4.184 4.120 -0.014 0.000 0.273 247 V C 0.573 176.637 176.094 -0.052 0.000 1.045 247 V CA 0.036 62.302 62.300 -0.058 0.000 0.976 247 V CB 0.900 32.700 31.823 -0.039 0.000 0.993 247 V HN 0.950 9.140 8.190 -0.000 0.000 0.475 248 D N 2.860 123.197 120.400 -0.106 0.000 2.162 248 D HA 0.068 4.700 4.640 -0.014 0.000 0.205 248 D C 0.039 176.370 176.300 0.051 0.000 0.964 248 D CA 1.582 55.552 54.000 -0.049 0.000 0.847 248 D CB 0.345 41.092 40.800 -0.089 0.000 0.988 248 D HN 0.720 9.090 8.370 -0.000 0.000 0.480 249 Y N -1.640 118.670 120.300 0.016 0.000 2.641 249 Y HA 0.560 5.101 4.550 -0.014 0.000 0.333 249 Y C -1.961 173.948 175.900 0.016 0.000 1.174 249 Y CA -1.716 56.395 58.100 0.018 0.000 1.057 249 Y CB 0.973 39.448 38.460 0.025 0.000 1.322 249 Y HN -0.227 8.053 8.280 -0.000 0.000 0.457 250 L N 1.970 123.364 121.223 0.286 0.000 2.611 250 L HA 0.621 4.953 4.340 -0.014 0.000 0.263 250 L C -1.756 175.214 176.870 0.168 0.000 0.969 250 L CA -0.295 54.654 54.840 0.182 0.000 0.894 250 L CB 1.826 43.930 42.059 0.075 0.000 1.229 250 L HN 0.854 9.084 8.230 -0.000 0.000 0.416 251 E N 3.961 124.264 120.200 0.171 0.000 2.292 251 E HA 0.509 4.850 4.350 -0.014 0.000 0.272 251 E C -1.729 174.894 176.600 0.038 0.000 0.881 251 E CA -1.036 55.411 56.400 0.078 0.000 0.754 251 E CB 3.064 32.781 29.700 0.029 0.000 1.201 251 E HN 0.489 8.849 8.360 -0.000 0.000 0.425 252 L N 3.121 124.352 121.223 0.014 0.000 2.287 252 L HA 0.500 4.832 4.340 -0.014 0.000 0.287 252 L C -0.764 176.098 176.870 -0.013 0.000 1.022 252 L CA 0.152 54.988 54.840 -0.006 0.000 0.814 252 L CB 0.563 42.618 42.059 -0.007 0.000 1.217 252 L HN 0.514 8.744 8.230 -0.000 0.000 0.420 253 R N 2.261 122.747 120.500 -0.023 0.000 2.947 253 R HA 0.411 4.743 4.340 -0.014 0.000 0.253 253 R C -1.277 175.012 176.300 -0.018 0.000 1.208 253 R CA -1.160 54.930 56.100 -0.017 0.000 1.012 253 R CB 0.899 31.193 30.300 -0.010 0.000 1.267 253 R HN 0.573 8.843 8.270 -0.000 0.000 0.473 254 D N 0.741 121.138 120.400 -0.004 0.000 2.360 254 D HA 0.072 4.703 4.640 -0.014 0.000 0.242 254 D C 1.328 177.646 176.300 0.029 0.000 1.184 254 D CA -0.198 53.804 54.000 0.004 0.000 0.930 254 D CB 0.808 41.611 40.800 0.005 0.000 1.161 254 D HN 0.518 8.888 8.370 -0.000 0.000 0.447 255 I N -1.357 119.238 120.570 0.042 0.000 2.756 255 I HA 0.141 4.302 4.170 -0.014 0.000 0.262 255 I C 1.433 177.661 176.117 0.185 0.000 1.225 255 I CA 0.794 62.163 61.300 0.114 0.000 1.472 255 I CB -0.196 37.863 38.000 0.099 0.000 1.094 255 I HN 0.284 8.494 8.210 -0.000 0.000 0.454 256 G N 0.764 109.615 108.800 0.085 0.000 3.189 256 G HA2 0.358 4.310 3.960 -0.014 0.000 0.225 256 G HA3 0.358 4.310 3.960 -0.014 0.000 0.225 256 G C 0.907 175.826 174.900 0.032 0.000 1.159 256 G CA -0.236 44.887 45.100 0.038 0.000 0.763 256 G HN 0.446 8.736 8.290 -0.000 0.000 0.549 257 L N -1.335 119.932 121.223 0.074 0.000 4.351 257 L HA -0.158 4.173 4.340 -0.014 0.000 0.410 257 L C 1.338 178.208 176.870 0.000 0.000 1.150 257 L CA -0.057 54.810 54.840 0.046 0.000 0.961 257 L CB -1.774 40.308 42.059 0.038 0.000 2.130 257 L HN 0.368 8.598 8.230 -0.000 0.000 0.787 258 G N -0.493 108.306 108.800 -0.002 0.000 2.568 258 G HA2 0.628 4.580 3.960 -0.014 0.000 0.293 258 G HA3 0.628 4.580 3.960 -0.014 0.000 0.293 258 G C -2.552 172.342 174.900 -0.010 0.000 1.347 258 G CA -1.013 44.080 45.100 -0.013 0.000 1.039 258 G HN -0.018 8.272 8.290 -0.000 0.000 0.523 259 P HA 0.128 4.548 4.420 -0.000 0.000 0.265 259 P C -0.257 177.037 177.300 -0.009 0.000 1.187 259 P CA -0.180 62.914 63.100 -0.011 0.000 0.766 259 P CB 0.474 32.167 31.700 -0.010 0.000 0.820 260 M N 6.045 125.639 119.600 -0.010 0.000 2.146 260 M HA 0.289 4.761 4.480 -0.014 0.000 0.352 260 M C -2.146 174.148 176.300 -0.009 0.000 1.343 260 M CA -2.364 52.930 55.300 -0.011 0.000 1.115 260 M CB -0.232 32.360 32.600 -0.013 0.000 1.657 260 M HN 0.216 8.506 8.290 -0.000 0.000 0.471 261 P HA 0.040 4.460 4.420 -0.000 0.000 0.277 261 P C 0.645 177.940 177.300 -0.008 0.000 1.276 261 P CA -0.596 62.500 63.100 -0.008 0.000 0.788 261 P CB 0.515 32.211 31.700 -0.007 0.000 1.114 262 L N 0.562 121.781 121.223 -0.007 0.000 1.976 262 L HA -0.228 4.104 4.340 -0.014 0.000 0.223 262 L C 0.852 177.717 176.870 -0.008 0.000 1.081 262 L CA 2.570 57.406 54.840 -0.007 0.000 0.784 262 L CB -1.489 40.566 42.059 -0.006 0.000 0.896 262 L HN 0.724 8.954 8.230 -0.000 0.000 0.438 263 N N -2.040 116.655 118.700 -0.009 0.000 3.091 263 N HA 0.644 5.375 4.740 -0.014 0.000 0.329 263 N C -0.197 175.306 175.510 -0.012 0.000 1.430 263 N CA -0.174 52.869 53.050 -0.011 0.000 0.755 263 N CB 0.599 39.080 38.487 -0.009 0.000 1.626 263 N HN 0.501 8.881 8.380 -0.000 0.000 0.614 264 G N -1.585 107.207 108.800 -0.013 0.000 2.603 264 G HA2 0.004 3.956 3.960 -0.014 0.000 0.686 264 G HA3 0.004 3.956 3.960 -0.014 0.000 0.686 264 G C -0.935 173.954 174.900 -0.017 0.000 1.286 264 G CA -0.461 44.632 45.100 -0.013 0.000 0.871 264 G HN 0.702 8.992 8.290 -0.000 0.000 0.568 265 S N -0.192 115.499 115.700 -0.015 0.000 2.579 265 S HA 0.665 5.126 4.470 -0.014 0.000 0.275 265 S C 0.959 175.545 174.600 -0.022 0.000 1.345 265 S CA 0.916 59.104 58.200 -0.019 0.000 1.031 265 S CB 1.184 64.378 63.200 -0.010 0.000 0.892 265 S HN 1.990 10.300 8.310 -0.000 0.000 0.529 266 G N 0.681 109.458 108.800 -0.038 0.000 2.619 266 G HA2 0.657 4.609 3.960 -0.014 0.000 0.305 266 G HA3 0.657 4.609 3.960 -0.014 0.000 0.305 266 G C -1.745 173.096 174.900 -0.099 0.000 1.330 266 G CA -0.789 44.281 45.100 -0.049 0.000 0.789 266 G HN 0.550 8.840 8.290 -0.000 0.000 0.487 267 R N -1.169 119.256 120.500 -0.125 0.000 2.604 267 R HA 0.661 4.992 4.340 -0.014 0.000 0.281 267 R C -1.864 174.355 176.300 -0.136 0.000 1.020 267 R CA -0.637 55.332 56.100 -0.219 0.000 0.899 267 R CB 1.795 31.814 30.300 -0.468 0.000 1.205 267 R HN 0.618 8.888 8.270 -0.000 0.000 0.450 268 L N 4.967 126.123 121.223 -0.113 0.000 2.305 268 L HA 0.635 4.966 4.340 -0.014 0.000 0.284 268 L C -1.784 175.074 176.870 -0.021 0.000 1.013 268 L CA -0.387 54.427 54.840 -0.044 0.000 0.819 268 L CB 1.296 43.339 42.059 -0.027 0.000 1.227 268 L HN 0.596 8.826 8.230 -0.000 0.000 0.417 269 L N 5.808 127.063 121.223 0.053 0.000 2.346 269 L HA 0.812 5.143 4.340 -0.014 0.000 0.274 269 L C -0.554 176.449 176.870 0.221 0.000 1.007 269 L CA -0.627 54.300 54.840 0.145 0.000 0.818 269 L CB 1.966 44.160 42.059 0.226 0.000 1.284 269 L HN 0.427 8.657 8.230 -0.000 0.000 0.424 270 V N 1.345 121.331 119.914 0.119 0.000 2.925 270 V HA 0.974 5.085 4.120 -0.014 0.000 0.311 270 V C -1.372 174.548 176.094 -0.290 0.000 1.104 270 V CA -0.238 62.023 62.300 -0.066 0.000 0.954 270 V CB 2.077 33.871 31.823 -0.049 0.000 1.022 270 V HN 0.921 9.111 8.190 -0.000 0.000 0.427 271 A N 4.412 126.845 122.820 -0.645 0.000 2.455 271 A HA 1.050 5.361 4.320 -0.014 0.000 0.300 271 A C -0.609 176.747 177.584 -0.379 0.000 1.040 271 A CA 0.054 51.743 52.037 -0.580 0.000 0.697 271 A CB 1.802 20.218 19.000 -0.972 0.000 1.265 271 A HN 2.192 10.342 8.150 -0.000 0.000 0.407 272 A N 1.762 124.458 122.820 -0.206 0.000 2.594 272 A HA 0.904 5.215 4.320 -0.014 0.000 0.291 272 A C -0.738 176.798 177.584 -0.081 0.000 1.105 272 A CA -0.729 51.231 52.037 -0.128 0.000 0.694 272 A CB 1.364 20.308 19.000 -0.094 0.000 1.291 272 A HN 0.796 8.946 8.150 -0.000 0.000 0.410 273 R N -0.153 120.313 120.500 -0.055 0.000 2.437 273 R HA 0.618 4.950 4.340 -0.014 0.000 0.310 273 R C -1.834 174.453 176.300 -0.022 0.000 0.955 273 R CA -0.547 55.533 56.100 -0.033 0.000 0.851 273 R CB 1.571 31.855 30.300 -0.028 0.000 1.161 273 R HN 0.447 8.717 8.270 -0.000 0.000 0.446 274 L N 3.130 124.346 121.223 -0.011 0.000 2.366 274 L HA 0.446 4.777 4.340 -0.014 0.000 0.266 274 L C 0.828 177.699 176.870 0.002 0.000 1.010 274 L CA 0.190 55.027 54.840 -0.005 0.000 0.879 274 L CB 1.479 43.537 42.059 -0.002 0.000 1.228 274 L HN 0.953 9.183 8.230 -0.000 0.000 0.439 275 G N 2.381 111.180 108.800 -0.003 0.000 2.523 275 G HA2 -0.347 3.605 3.960 -0.014 0.000 0.271 275 G HA3 -0.347 3.605 3.960 -0.014 0.000 0.271 275 G C 0.618 175.514 174.900 -0.006 0.000 1.146 275 G CA 0.381 45.479 45.100 -0.002 0.000 0.961 275 G HN 0.708 8.998 8.290 -0.000 0.000 0.549 276 T N -2.059 112.491 114.554 -0.007 0.000 3.134 276 T HA 0.513 4.855 4.350 -0.014 0.000 0.260 276 T C 0.588 175.285 174.700 -0.005 0.000 1.027 276 T CA 1.177 63.269 62.100 -0.014 0.000 0.913 276 T CB 0.326 69.177 68.868 -0.028 0.000 1.046 276 T HN 0.783 9.023 8.240 -0.000 0.000 0.553 277 T N 2.822 117.386 114.554 0.017 0.000 2.733 277 T HA 0.444 4.786 4.350 -0.014 0.000 0.294 277 T C -0.209 174.506 174.700 0.024 0.000 0.956 277 T CA -0.571 61.559 62.100 0.049 0.000 0.987 277 T CB 1.313 70.237 68.868 0.094 0.000 0.920 277 T HN 0.272 8.512 8.240 -0.000 0.000 0.470 278 R N 3.578 124.089 120.500 0.018 0.000 2.254 278 R HA 0.562 4.894 4.340 -0.014 0.000 0.318 278 R C -0.850 175.447 176.300 -0.004 0.000 1.031 278 R CA -0.434 55.661 56.100 -0.009 0.000 0.905 278 R CB 0.353 30.641 30.300 -0.021 0.000 1.050 278 R HN 0.570 8.840 8.270 -0.000 0.000 0.456 279 L N 5.573 126.780 121.223 -0.027 0.000 2.342 279 L HA 0.590 4.921 4.340 -0.014 0.000 0.271 279 L C -0.678 176.165 176.870 -0.045 0.000 1.008 279 L CA -1.031 53.795 54.840 -0.024 0.000 0.818 279 L CB 1.709 43.752 42.059 -0.026 0.000 1.296 279 L HN 0.489 8.719 8.230 -0.000 0.000 0.427 280 L N 1.110 122.324 121.223 -0.015 0.000 2.350 280 L HA 0.735 5.066 4.340 -0.014 0.000 0.260 280 L C -1.287 175.594 176.870 0.018 0.000 1.015 280 L CA -0.623 54.215 54.840 -0.002 0.000 0.821 280 L CB 2.334 44.429 42.059 0.061 0.000 1.370 280 L HN 0.506 8.736 8.230 -0.000 0.000 0.416 281 D N 0.302 120.720 120.400 0.030 0.000 2.694 281 D HA 0.425 5.057 4.640 -0.014 0.000 0.260 281 D C -1.950 174.377 176.300 0.046 0.000 1.250 281 D CA -0.346 53.675 54.000 0.035 0.000 0.763 281 D CB 2.407 43.213 40.800 0.009 0.000 1.311 281 D HN 0.730 9.100 8.370 -0.000 0.000 0.420 282 N N 0.317 119.036 118.700 0.031 0.000 2.961 282 N HA 0.670 5.401 4.740 -0.014 0.000 0.245 282 N C -1.708 173.776 175.510 -0.044 0.000 1.404 282 N CA -0.798 52.246 53.050 -0.009 0.000 0.880 282 N CB 1.686 40.158 38.487 -0.025 0.000 1.461 282 N HN 0.416 8.796 8.380 -0.000 0.000 0.510 283 I N -0.498 120.018 120.570 -0.091 0.000 2.918 283 I HA 0.703 4.864 4.170 -0.014 0.000 0.301 283 I C -1.018 175.024 176.117 -0.125 0.000 1.312 283 I CA -1.081 60.171 61.300 -0.081 0.000 1.007 283 I CB 2.070 40.048 38.000 -0.037 0.000 1.281 283 I HN 0.970 9.180 8.210 -0.000 0.000 0.440 284 A N 7.014 129.773 122.820 -0.103 0.000 2.477 284 A HA 0.561 4.872 4.320 -0.014 0.000 0.246 284 A C -0.705 176.826 177.584 -0.089 0.000 1.078 284 A CA 0.078 52.053 52.037 -0.104 0.000 0.770 284 A CB 0.116 19.078 19.000 -0.062 0.000 1.011 284 A HN 0.467 8.617 8.150 -0.000 0.000 0.494 285 I N 1.617 122.135 120.570 -0.087 0.000 2.498 285 I HA 0.369 4.530 4.170 -0.014 0.000 0.290 285 I C -0.679 175.399 176.117 -0.065 0.000 1.032 285 I CA -0.432 60.822 61.300 -0.077 0.000 1.073 285 I CB 1.908 39.869 38.000 -0.066 0.000 1.251 285 I HN 0.658 8.868 8.210 -0.000 0.000 0.426 286 E N 5.598 125.758 120.200 -0.068 0.000 2.141 286 E HA 0.435 4.776 4.350 -0.014 0.000 0.259 286 E C -0.493 176.079 176.600 -0.046 0.000 0.883 286 E CA -0.446 55.922 56.400 -0.052 0.000 0.744 286 E CB 1.244 30.912 29.700 -0.054 0.000 1.150 286 E HN 0.244 8.604 8.360 -0.000 0.000 0.420 287 I N 1.914 122.464 120.570 -0.034 0.000 2.474 287 I HA 0.243 4.404 4.170 -0.014 0.000 0.287 287 I C 1.447 177.552 176.117 -0.021 0.000 1.048 287 I CA 0.176 61.460 61.300 -0.027 0.000 1.383 287 I CB 0.586 38.574 38.000 -0.021 0.000 1.412 287 I HN 0.785 8.995 8.210 -0.000 0.000 0.531 288 G N 4.552 113.341 108.800 -0.018 0.000 2.249 288 G HA2 -0.216 3.736 3.960 -0.014 0.000 0.273 288 G HA3 -0.216 3.736 3.960 -0.014 0.000 0.273 288 G C 0.255 175.146 174.900 -0.015 0.000 1.036 288 G CA 0.611 45.703 45.100 -0.013 0.000 0.824 288 G HN 0.731 9.021 8.290 -0.000 0.000 0.504 289 T N 0.000 114.541 114.554 -0.021 0.000 3.816 289 T HA 0.000 4.341 4.350 -0.014 0.000 0.228 289 T CA 0.000 62.086 62.100 -0.024 0.000 1.349 289 T CB 0.000 68.853 68.868 -0.024 0.000 0.612 289 T HN 0.000 8.240 8.240 -0.000 0.000 0.658