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 3piq_1_F DATA FIRST_RESID 3 DATA SEQUENCE VLTQPPSXVS VAPGKTARIT cGGNNIANKN VHWYQQKPGQ APVLVIYYDD DATA SEQUENCE DRPSGIPDRF SGSNSGNTAT LTISRVEAGD EADYYcQVWD SNHVVFGGGT DATA SEQUENCE QLTLGQPKAA PSVTLFPPSS EELQANKATL VcLISDFYPG AVTVAWKADS DATA SEQUENCE SPVKAGVETT TPSKQSNNKY AASSYLSLTP EQWKSHRSYS cQVTHEGSTV DATA SEQUENCE EKTVAP 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 3 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 3 V C 0.000 176.108 176.094 0.024 0.000 1.182 3 V CA 0.000 62.311 62.300 0.018 0.000 1.235 3 V CB 0.000 31.831 31.823 0.013 0.000 1.184 4 L N 1.693 122.935 121.223 0.032 0.000 2.313 4 L HA 0.496 4.836 4.340 0.001 0.000 0.282 4 L C 0.446 177.350 176.870 0.057 0.000 1.092 4 L CA 0.423 55.285 54.840 0.036 0.000 0.831 4 L CB 1.263 43.338 42.059 0.026 0.000 1.159 4 L HN 0.407 8.637 8.230 -0.000 0.000 0.442 5 T N 3.567 118.154 114.554 0.055 0.000 2.753 5 T HA 0.342 4.692 4.350 0.001 0.000 0.297 5 T C -0.088 174.658 174.700 0.077 0.000 0.981 5 T CA -0.529 61.609 62.100 0.063 0.000 0.956 5 T CB 1.101 70.000 68.868 0.051 0.000 0.936 5 T HN 0.496 8.736 8.240 -0.000 0.000 0.463 6 Q N 3.186 123.039 119.800 0.088 0.000 2.301 6 Q HA 0.435 4.776 4.340 0.001 0.000 0.267 6 Q C -2.348 173.700 176.000 0.080 0.000 1.035 6 Q CA -2.376 53.488 55.803 0.102 0.000 0.856 6 Q CB 1.704 30.514 28.738 0.120 0.000 1.337 6 Q HN 0.399 8.669 8.270 -0.000 0.000 0.450 7 P HA 0.119 4.539 4.420 -0.000 0.000 0.276 7 P C -2.384 174.945 177.300 0.049 0.000 1.230 7 P CA -1.319 61.815 63.100 0.056 0.000 0.776 7 P CB 0.850 32.581 31.700 0.052 0.000 0.888 8 P HA -0.129 4.291 4.420 -0.000 0.000 0.213 8 P C 0.700 178.017 177.300 0.028 0.000 1.170 8 P CA 1.642 64.762 63.100 0.032 0.000 0.902 8 P CB 0.173 31.890 31.700 0.027 0.000 0.789 12 S N 1.414 117.112 115.700 -0.003 0.000 2.538 12 S HA 0.991 5.462 4.470 0.001 0.000 0.288 12 S C -0.393 174.208 174.600 0.001 0.000 1.108 12 S CA -0.252 57.950 58.200 0.003 0.000 0.971 12 S CB 1.717 64.917 63.200 -0.001 0.000 1.041 12 S HN 2.151 10.461 8.310 -0.000 0.000 0.483 13 V N -0.972 118.948 119.914 0.010 0.000 3.188 13 V HA 1.029 5.150 4.120 0.001 0.000 0.305 13 V C -0.534 175.569 176.094 0.016 0.000 1.232 13 V CA -1.345 60.956 62.300 0.001 0.000 1.043 13 V CB 1.299 33.110 31.823 -0.020 0.000 1.068 13 V HN 1.033 9.223 8.190 -0.000 0.000 0.439 14 A N 2.218 125.042 122.820 0.007 0.000 2.306 14 A HA 0.903 5.224 4.320 0.001 0.000 0.314 14 A C -2.516 175.069 177.584 0.002 0.000 1.164 14 A CA -2.003 50.042 52.037 0.012 0.000 0.822 14 A CB 0.551 19.555 19.000 0.008 0.000 1.130 14 A HN 0.818 8.968 8.150 -0.000 0.000 0.496 15 P HA 0.161 4.581 4.420 -0.000 0.000 0.256 15 P C 0.881 178.174 177.300 -0.011 0.000 1.189 15 P CA 1.717 64.817 63.100 0.000 0.000 0.808 15 P CB 0.294 31.999 31.700 0.008 0.000 0.793 16 G N 3.662 112.449 108.800 -0.023 0.000 3.330 16 G HA2 -0.153 3.808 3.960 0.001 0.000 0.197 16 G HA3 -0.153 3.808 3.960 0.001 0.000 0.197 16 G C -0.020 174.857 174.900 -0.039 0.000 1.284 16 G CA -0.546 44.537 45.100 -0.028 0.000 0.921 16 G HN 0.468 8.758 8.290 -0.000 0.000 0.466 17 K N 1.985 122.364 120.400 -0.036 0.000 2.276 17 K HA 0.471 4.792 4.320 0.001 0.000 0.259 17 K C 0.742 177.305 176.600 -0.062 0.000 1.001 17 K CA 0.638 56.899 56.287 -0.043 0.000 0.927 17 K CB 0.616 33.096 32.500 -0.033 0.000 0.969 17 K HN 0.485 8.735 8.250 -0.000 0.000 0.490 18 T N -1.643 112.867 114.554 -0.073 0.000 2.913 18 T HA 0.571 4.922 4.350 0.001 0.000 0.287 18 T C -0.180 174.458 174.700 -0.102 0.000 1.008 18 T CA -1.088 60.951 62.100 -0.101 0.000 1.067 18 T CB 1.516 70.321 68.868 -0.105 0.000 0.996 18 T HN 0.554 8.794 8.240 -0.000 0.000 0.513 19 A N 2.434 125.172 122.820 -0.136 0.000 2.340 19 A HA 0.816 5.137 4.320 0.001 0.000 0.331 19 A C -0.212 177.277 177.584 -0.159 0.000 1.140 19 A CA -1.111 50.846 52.037 -0.132 0.000 0.801 19 A CB 1.012 19.928 19.000 -0.141 0.000 1.234 19 A HN 0.741 8.891 8.150 -0.000 0.000 0.469 20 R N 1.131 121.555 120.500 -0.127 0.000 2.599 20 R HA 0.633 4.973 4.340 0.001 0.000 0.295 20 R C -1.416 174.813 176.300 -0.118 0.000 0.963 20 R CA -0.443 55.579 56.100 -0.130 0.000 0.883 20 R CB 1.341 31.590 30.300 -0.085 0.000 1.171 20 R HN 0.681 8.951 8.270 -0.000 0.000 0.450 21 I N 1.220 121.700 120.570 -0.150 0.000 2.468 21 I HA 0.151 4.321 4.170 0.001 0.000 0.285 21 I C 0.429 176.564 176.117 0.030 0.000 1.039 21 I CA -0.705 60.551 61.300 -0.073 0.000 1.074 21 I CB 2.302 40.228 38.000 -0.123 0.000 1.228 21 I HN 0.400 8.610 8.210 -0.000 0.000 0.436 22 T N 4.517 119.130 114.554 0.100 0.000 2.897 22 T HA 0.233 4.583 4.350 0.001 0.000 0.294 22 T C -0.538 174.321 174.700 0.265 0.000 1.004 22 T CA -0.110 62.083 62.100 0.156 0.000 1.106 22 T CB 0.771 69.696 68.868 0.094 0.000 0.949 22 T HN 0.745 8.985 8.240 -0.000 0.000 0.520 23 c N 5.408 124.182 118.600 0.290 0.000 2.814 23 c HA 0.723 5.293 4.570 0.001 0.000 0.269 23 c C 0.800 174.958 174.090 0.113 0.000 1.090 23 c CA -0.538 55.917 56.329 0.210 0.000 1.492 23 c CB -1.290 41.316 42.510 0.161 0.000 1.825 23 c HN 1.097 9.327 8.230 -0.000 0.000 0.442 24 G N 2.498 111.350 108.800 0.086 0.000 2.442 24 G HA2 0.554 4.514 3.960 0.001 0.000 0.249 24 G HA3 0.554 4.514 3.960 0.001 0.000 0.249 24 G C 0.146 175.070 174.900 0.040 0.000 1.263 24 G CA 0.368 45.504 45.100 0.060 0.000 0.846 24 G HN 1.392 9.682 8.290 -0.000 0.000 0.555 25 G N 1.197 110.016 108.800 0.032 0.000 2.715 25 G HA2 0.288 4.248 3.960 0.001 0.000 0.297 25 G HA3 0.288 4.248 3.960 0.001 0.000 0.297 25 G C -0.451 174.459 174.900 0.017 0.000 1.386 25 G CA -0.948 44.164 45.100 0.019 0.000 1.157 25 G HN 0.576 8.866 8.290 -0.000 0.000 0.585 26 N N 2.825 121.533 118.700 0.012 0.000 2.394 26 N HA -0.057 4.683 4.740 0.001 0.000 0.282 26 N C 0.153 175.668 175.510 0.008 0.000 1.351 26 N CA 0.478 53.533 53.050 0.010 0.000 0.936 26 N CB 0.162 38.652 38.487 0.005 0.000 1.274 26 N HN 0.604 8.983 8.380 -0.000 0.000 0.489 27 N N 1.230 119.938 118.700 0.013 0.000 2.738 27 N HA -0.223 4.517 4.740 0.001 0.000 0.249 27 N C 0.779 176.298 175.510 0.016 0.000 1.047 27 N CA 0.248 53.307 53.050 0.014 0.000 0.707 27 N CB -1.197 37.296 38.487 0.010 0.000 0.937 27 N HN 0.658 9.038 8.380 -0.000 0.000 0.545 28 I N -0.432 120.150 120.570 0.020 0.000 2.916 28 I HA -0.159 4.011 4.170 0.001 0.000 0.267 28 I C 1.998 178.131 176.117 0.027 0.000 1.263 28 I CA 1.179 62.491 61.300 0.020 0.000 1.471 28 I CB 0.057 38.070 38.000 0.022 0.000 1.089 28 I HN 0.413 8.623 8.210 -0.000 0.000 0.468 29 A N 1.035 123.873 122.820 0.029 0.000 1.972 29 A HA -0.214 4.106 4.320 0.001 0.000 0.219 29 A C 1.846 179.449 177.584 0.032 0.000 1.169 29 A CA 1.800 53.856 52.037 0.032 0.000 0.635 29 A CB -0.598 18.419 19.000 0.028 0.000 0.810 29 A HN 0.533 8.683 8.150 -0.000 0.000 0.446 30 N N 0.355 119.072 118.700 0.029 0.000 2.309 30 N HA -0.046 4.695 4.740 0.001 0.000 0.182 30 N C 0.372 175.911 175.510 0.048 0.000 1.018 30 N CA 0.886 53.956 53.050 0.033 0.000 0.876 30 N CB -0.102 38.401 38.487 0.026 0.000 0.972 30 N HN 0.368 8.748 8.380 -0.000 0.000 0.434 31 K N 1.463 121.892 120.400 0.048 0.000 2.106 31 K HA 0.254 4.575 4.320 0.001 0.000 0.246 31 K C -0.075 176.565 176.600 0.068 0.000 0.987 31 K CA -0.511 55.819 56.287 0.071 0.000 0.904 31 K CB 0.915 33.450 32.500 0.058 0.000 1.071 31 K HN 0.021 8.271 8.250 -0.000 0.000 0.453 32 N N 1.183 119.946 118.700 0.104 0.000 2.414 32 N HA 0.137 4.878 4.740 0.001 0.000 0.256 32 N C -0.611 174.814 175.510 -0.141 0.000 1.029 32 N CA -0.230 52.846 53.050 0.044 0.000 0.948 32 N CB 1.195 39.809 38.487 0.211 0.000 1.102 32 N HN 0.117 8.497 8.380 -0.000 0.000 0.496 33 V N 3.130 122.908 119.914 -0.228 0.000 2.481 33 V HA 0.264 4.384 4.120 0.001 0.000 0.286 33 V C -0.297 175.494 176.094 -0.505 0.000 1.042 33 V CA -0.517 61.614 62.300 -0.283 0.000 0.928 33 V CB 0.879 32.595 31.823 -0.179 0.000 0.986 33 V HN 0.631 8.821 8.190 -0.000 0.000 0.462 34 H N 1.872 120.804 119.070 -0.230 0.000 2.679 34 H HA 0.642 5.198 4.556 0.001 0.000 0.367 34 H C -1.390 173.669 175.328 -0.447 0.000 1.162 34 H CA -0.582 55.330 56.048 -0.226 0.000 1.181 34 H CB 1.358 30.999 29.762 -0.201 0.000 1.693 34 H HN 0.629 8.909 8.280 -0.000 0.000 0.538 35 W N 1.337 122.529 121.300 -0.181 0.000 2.736 35 W HA 0.544 5.204 4.660 0.001 0.000 0.335 35 W C -1.271 175.065 176.519 -0.306 0.000 1.059 35 W CA -0.604 56.687 57.345 -0.090 0.000 1.226 35 W CB 1.121 30.608 29.460 0.045 0.000 1.416 35 W HN 0.451 8.631 8.180 -0.000 0.000 0.505 36 Y N 0.929 121.550 120.300 0.534 0.000 2.477 36 Y HA 0.343 4.893 4.550 0.001 0.000 0.347 36 Y C -0.201 175.920 175.900 0.370 0.000 0.981 36 Y CA -1.389 56.942 58.100 0.386 0.000 1.033 36 Y CB 2.278 40.928 38.460 0.317 0.000 1.245 36 Y HN 0.307 8.587 8.280 -0.000 0.000 0.455 37 Q N 3.388 123.402 119.800 0.356 0.000 2.368 37 Q HA 0.292 4.633 4.340 0.001 0.000 0.263 37 Q C -1.390 174.625 176.000 0.025 0.000 1.009 37 Q CA -0.715 55.120 55.803 0.053 0.000 0.818 37 Q CB 1.453 30.242 28.738 0.085 0.000 1.239 37 Q HN 0.802 9.072 8.270 -0.000 0.000 0.464 38 Q N 4.559 124.343 119.800 -0.026 0.000 2.394 38 Q HA 0.295 4.635 4.340 0.001 0.000 0.259 38 Q C -1.116 174.857 176.000 -0.044 0.000 1.021 38 Q CA -0.432 55.380 55.803 0.015 0.000 0.805 38 Q CB 1.109 29.909 28.738 0.104 0.000 1.226 38 Q HN 0.501 8.771 8.270 -0.000 0.000 0.476 39 K N 3.737 124.117 120.400 -0.033 0.000 2.202 39 K HA 0.295 4.616 4.320 0.001 0.000 0.264 39 K C -2.358 174.240 176.600 -0.003 0.000 1.010 39 K CA -1.701 54.573 56.287 -0.022 0.000 0.940 39 K CB 0.443 32.942 32.500 -0.001 0.000 0.983 39 K HN 0.444 8.694 8.250 -0.000 0.000 0.475 40 P HA -0.145 4.275 4.420 -0.000 0.000 0.260 40 P C 0.621 177.923 177.300 0.002 0.000 1.172 40 P CA 1.195 64.300 63.100 0.009 0.000 0.760 40 P CB 0.359 32.066 31.700 0.012 0.000 0.773 41 G N 2.489 111.288 108.800 -0.001 0.000 2.900 41 G HA2 -0.285 3.675 3.960 0.001 0.000 0.223 41 G HA3 -0.285 3.675 3.960 0.001 0.000 0.223 41 G C 0.389 175.282 174.900 -0.011 0.000 1.293 41 G CA -0.089 45.006 45.100 -0.007 0.000 0.792 41 G HN 0.574 8.864 8.290 -0.000 0.000 0.527 42 Q N 0.893 120.689 119.800 -0.007 0.000 2.722 42 Q HA 0.529 4.869 4.340 0.001 0.000 0.214 42 Q C 0.591 176.581 176.000 -0.017 0.000 1.109 42 Q CA 0.137 55.935 55.803 -0.009 0.000 1.066 42 Q CB 0.399 29.137 28.738 -0.000 0.000 1.290 42 Q HN 1.032 9.302 8.270 -0.000 0.000 0.620 43 A N 1.136 123.946 122.820 -0.017 0.000 2.306 43 A HA 0.514 4.835 4.320 0.001 0.000 0.314 43 A C -2.220 175.356 177.584 -0.013 0.000 1.164 43 A CA -1.495 50.525 52.037 -0.029 0.000 0.822 43 A CB 0.010 18.991 19.000 -0.030 0.000 1.130 43 A HN 0.397 8.547 8.150 -0.000 0.000 0.496 44 P HA 0.231 4.651 4.420 -0.000 0.000 0.269 44 P C -0.858 176.486 177.300 0.074 0.000 1.205 44 P CA 0.061 63.173 63.100 0.020 0.000 0.780 44 P CB 0.393 32.057 31.700 -0.061 0.000 0.858 45 V N 2.322 122.332 119.914 0.159 0.000 2.733 45 V HA 0.201 4.321 4.120 0.001 0.000 0.306 45 V C -0.247 176.011 176.094 0.274 0.000 1.084 45 V CA -0.887 61.514 62.300 0.168 0.000 0.905 45 V CB 1.911 33.788 31.823 0.091 0.000 1.010 45 V HN 0.389 8.579 8.190 -0.000 0.000 0.424 46 L N 6.089 127.477 121.223 0.276 0.000 2.410 46 L HA 0.330 4.671 4.340 0.001 0.000 0.273 46 L C 0.886 177.794 176.870 0.064 0.000 1.152 46 L CA 0.862 55.806 54.840 0.174 0.000 0.855 46 L CB 1.392 43.533 42.059 0.137 0.000 1.129 46 L HN 0.638 8.868 8.230 -0.000 0.000 0.463 47 V N 2.920 122.846 119.914 0.020 0.000 3.359 47 V HA 0.473 4.594 4.120 0.001 0.000 0.245 47 V C 0.633 176.704 176.094 -0.039 0.000 1.247 47 V CA 0.047 62.281 62.300 -0.110 0.000 1.145 47 V CB -0.146 31.525 31.823 -0.253 0.000 0.906 47 V HN 0.560 8.750 8.190 -0.000 0.000 0.464 48 I N 1.354 121.977 120.570 0.088 0.000 2.644 48 I HA 0.577 4.747 4.170 0.001 0.000 0.291 48 I C -1.356 174.896 176.117 0.226 0.000 1.180 48 I CA -0.867 60.502 61.300 0.116 0.000 1.040 48 I CB 2.494 40.548 38.000 0.090 0.000 1.255 48 I HN 0.427 8.637 8.210 -0.000 0.000 0.422 49 Y N 3.244 123.595 120.300 0.086 0.000 2.581 49 Y HA 0.618 5.169 4.550 0.001 0.000 0.345 49 Y C -0.696 175.229 175.900 0.042 0.000 1.036 49 Y CA -1.543 56.604 58.100 0.079 0.000 1.042 49 Y CB 0.645 39.181 38.460 0.125 0.000 1.289 49 Y HN 0.488 8.768 8.280 -0.000 0.000 0.471 50 Y N 2.513 122.774 120.300 -0.065 0.000 3.234 50 Y HA -0.285 4.266 4.550 0.001 0.000 0.207 50 Y C 0.679 176.502 175.900 -0.128 0.000 1.316 50 Y CA 1.275 59.313 58.100 -0.103 0.000 1.309 50 Y CB -2.077 36.411 38.460 0.047 0.000 1.408 50 Y HN 0.974 9.254 8.280 -0.000 0.000 0.544 51 D N -1.986 118.405 120.400 -0.014 0.000 2.884 51 D HA -0.276 4.365 4.640 0.001 0.000 0.186 51 D C 0.974 177.314 176.300 0.067 0.000 1.520 51 D CA 2.255 56.290 54.000 0.058 0.000 1.997 51 D CB -1.209 39.623 40.800 0.053 0.000 1.362 51 D HN 0.610 8.980 8.370 -0.000 0.000 0.474 52 D N -0.815 119.585 120.400 0.001 0.000 2.116 52 D HA 0.063 4.703 4.640 0.001 0.000 0.347 52 D C -0.362 175.858 176.300 -0.134 0.000 1.045 52 D CA -0.087 53.889 54.000 -0.040 0.000 0.885 52 D CB -0.625 40.160 40.800 -0.025 0.000 1.654 52 D HN 0.034 8.404 8.370 -0.000 0.000 0.533 53 D N 1.749 122.018 120.400 -0.218 0.000 2.554 53 D HA 0.030 4.670 4.640 0.001 0.000 0.251 53 D C 0.125 176.038 176.300 -0.645 0.000 1.213 53 D CA 0.505 54.264 54.000 -0.402 0.000 0.900 53 D CB 0.404 40.939 40.800 -0.441 0.000 1.135 53 D HN 0.182 8.552 8.370 -0.000 0.000 0.522 54 R N 3.311 123.644 120.500 -0.280 0.000 2.368 54 R HA 0.443 4.784 4.340 0.001 0.000 0.302 54 R C -2.439 173.887 176.300 0.044 0.000 1.002 54 R CA -1.661 54.369 56.100 -0.117 0.000 0.929 54 R CB 0.808 31.092 30.300 -0.027 0.000 1.073 54 R HN 0.176 8.446 8.270 -0.000 0.000 0.464 55 P HA 0.083 4.503 4.420 -0.000 0.000 0.276 55 P C -0.982 176.387 177.300 0.114 0.000 1.261 55 P CA -0.581 62.666 63.100 0.245 0.000 0.800 55 P CB 1.048 32.895 31.700 0.247 0.000 1.066 56 S N -0.436 115.321 115.700 0.096 0.000 2.564 56 S HA 0.425 4.896 4.470 0.001 0.000 0.278 56 S C 1.286 175.914 174.600 0.048 0.000 1.333 56 S CA 0.843 59.081 58.200 0.063 0.000 1.048 56 S CB -0.924 62.310 63.200 0.056 0.000 0.900 56 S HN 0.882 9.192 8.310 -0.000 0.000 0.505 57 G N 3.484 112.309 108.800 0.043 0.000 2.258 57 G HA2 -0.189 3.771 3.960 0.001 0.000 0.233 57 G HA3 -0.189 3.771 3.960 0.001 0.000 0.233 57 G C 0.095 175.015 174.900 0.034 0.000 1.006 57 G CA 0.042 45.165 45.100 0.037 0.000 0.620 57 G HN 0.678 8.968 8.290 -0.000 0.000 0.511 58 I N 3.046 123.628 120.570 0.020 0.000 2.337 58 I HA 0.292 4.463 4.170 0.001 0.000 0.291 58 I C -1.621 174.558 176.117 0.104 0.000 1.046 58 I CA -2.411 58.883 61.300 -0.009 0.000 1.324 58 I CB 0.385 38.312 38.000 -0.123 0.000 1.409 58 I HN -0.077 8.133 8.210 -0.000 0.000 0.494 59 P HA 0.003 4.423 4.420 -0.000 0.000 0.269 59 P C 0.437 177.876 177.300 0.232 0.000 1.211 59 P CA -0.033 63.197 63.100 0.216 0.000 0.781 59 P CB 0.691 32.544 31.700 0.254 0.000 0.877 60 D N 1.023 121.497 120.400 0.124 0.000 2.350 60 D HA -0.103 4.538 4.640 0.001 0.000 0.216 60 D C 1.362 177.695 176.300 0.054 0.000 0.968 60 D CA 0.830 54.879 54.000 0.083 0.000 0.894 60 D CB -0.167 40.656 40.800 0.039 0.000 0.909 60 D HN 0.390 8.760 8.370 -0.000 0.000 0.520 61 R N -0.297 120.219 120.500 0.027 0.000 2.339 61 R HA 0.036 4.376 4.340 0.001 0.000 0.199 61 R C 0.138 176.239 176.300 -0.333 0.000 1.018 61 R CA 0.227 56.227 56.100 -0.166 0.000 1.036 61 R CB -0.027 30.120 30.300 -0.255 0.000 0.899 61 R HN 0.107 8.377 8.270 -0.000 0.000 0.473 62 F N 0.140 120.057 119.950 -0.055 0.000 2.425 62 F HA 0.298 4.826 4.527 0.001 0.000 0.331 62 F C 0.533 176.274 175.800 -0.100 0.000 1.085 62 F CA -0.595 57.352 58.000 -0.089 0.000 1.028 62 F CB 1.797 40.760 39.000 -0.063 0.000 1.177 62 F HN -0.169 8.131 8.300 -0.000 0.000 0.487 63 S N 0.387 116.101 115.700 0.025 0.000 2.547 63 S HA 0.854 5.324 4.470 0.001 0.000 0.270 63 S C -0.899 173.636 174.600 -0.108 0.000 1.150 63 S CA -0.897 57.279 58.200 -0.040 0.000 0.850 63 S CB 1.483 64.646 63.200 -0.063 0.000 1.118 63 S HN 1.001 9.311 8.310 -0.000 0.000 0.461 64 G N 0.429 109.181 108.800 -0.079 0.000 2.519 64 G HA2 0.779 4.740 3.960 0.001 0.000 0.307 64 G HA3 0.779 4.740 3.960 0.001 0.000 0.307 64 G C -0.681 174.206 174.900 -0.021 0.000 1.266 64 G CA -0.479 44.575 45.100 -0.077 0.000 0.970 64 G HN 1.554 9.844 8.290 -0.000 0.000 0.481 65 S N -0.309 115.401 115.700 0.017 0.000 2.651 65 S HA 0.825 5.295 4.470 0.001 0.000 0.279 65 S C -1.155 173.500 174.600 0.092 0.000 1.148 65 S CA -1.012 57.211 58.200 0.037 0.000 0.837 65 S CB 2.527 65.732 63.200 0.009 0.000 1.138 65 S HN 0.946 9.256 8.310 -0.000 0.000 0.478 66 N N -0.181 118.561 118.700 0.070 0.000 2.999 66 N HA 0.475 5.215 4.740 0.001 0.000 0.244 66 N C -1.899 173.641 175.510 0.050 0.000 1.106 66 N CA 0.275 53.372 53.050 0.078 0.000 1.018 66 N CB 1.633 40.169 38.487 0.081 0.000 1.600 66 N HN 1.200 9.580 8.380 -0.000 0.000 0.621 67 S N 1.310 117.038 115.700 0.048 0.000 2.558 67 S HA 0.727 5.198 4.470 0.001 0.000 0.277 67 S C 0.750 175.369 174.600 0.033 0.000 1.143 67 S CA -0.043 58.178 58.200 0.034 0.000 0.865 67 S CB 1.011 64.227 63.200 0.026 0.000 1.102 67 S HN 1.444 9.754 8.310 -0.000 0.000 0.454 68 G N 3.094 111.909 108.800 0.026 0.000 2.698 68 G HA2 -0.371 3.589 3.960 0.001 0.000 0.337 68 G HA3 -0.371 3.589 3.960 0.001 0.000 0.337 68 G C 0.153 175.068 174.900 0.026 0.000 1.196 68 G CA 0.994 46.108 45.100 0.023 0.000 0.965 68 G HN 1.202 9.492 8.290 -0.000 0.000 0.550 69 N N 0.348 119.066 118.700 0.028 0.000 2.351 69 N HA 0.475 5.215 4.740 0.001 0.000 0.254 69 N C -0.438 175.097 175.510 0.042 0.000 1.241 69 N CA 0.702 53.770 53.050 0.030 0.000 0.883 69 N CB 1.506 40.008 38.487 0.025 0.000 1.202 69 N HN 0.620 9.000 8.380 -0.000 0.000 0.512 70 T N -0.267 114.318 114.554 0.052 0.000 3.705 70 T HA 0.563 4.913 4.350 0.001 0.000 0.342 70 T C -1.694 173.065 174.700 0.099 0.000 1.043 70 T CA -0.495 61.649 62.100 0.074 0.000 1.071 70 T CB 0.612 69.519 68.868 0.065 0.000 1.124 70 T HN 0.093 8.333 8.240 -0.000 0.000 0.467 71 A N 3.748 126.658 122.820 0.149 0.000 2.312 71 A HA 0.833 5.154 4.320 0.001 0.000 0.326 71 A C 0.186 177.972 177.584 0.336 0.000 1.172 71 A CA -0.493 51.678 52.037 0.223 0.000 0.821 71 A CB 1.067 20.218 19.000 0.251 0.000 1.166 71 A HN 0.784 8.934 8.150 -0.000 0.000 0.493 72 T N 1.994 116.677 114.554 0.214 0.000 2.876 72 T HA 0.511 4.862 4.350 0.001 0.000 0.289 72 T C -1.037 173.506 174.700 -0.262 0.000 1.014 72 T CA -0.311 61.813 62.100 0.040 0.000 0.986 72 T CB 1.259 70.118 68.868 -0.016 0.000 1.021 72 T HN 0.618 8.858 8.240 -0.000 0.000 0.458 73 L N 3.036 123.862 121.223 -0.661 0.000 2.296 73 L HA 0.702 5.042 4.340 0.001 0.000 0.286 73 L C -0.570 176.003 176.870 -0.496 0.000 1.023 73 L CA 0.114 54.427 54.840 -0.878 0.000 0.812 73 L CB 1.295 42.376 42.059 -1.631 0.000 1.223 73 L HN 0.623 8.853 8.230 -0.000 0.000 0.421 74 T N 6.731 121.071 114.554 -0.357 0.000 2.809 74 T HA 0.616 4.966 4.350 0.001 0.000 0.284 74 T C -0.228 174.291 174.700 -0.302 0.000 0.992 74 T CA -0.149 61.786 62.100 -0.275 0.000 0.957 74 T CB 0.768 69.521 68.868 -0.192 0.000 0.942 74 T HN 0.448 8.688 8.240 -0.000 0.000 0.439 75 I N 3.193 123.556 120.570 -0.345 0.000 2.404 75 I HA 0.475 4.646 4.170 0.001 0.000 0.293 75 I C 0.547 176.475 176.117 -0.314 0.000 0.992 75 I CA -0.745 60.281 61.300 -0.457 0.000 1.149 75 I CB 1.790 39.462 38.000 -0.546 0.000 1.315 75 I HN 0.633 8.843 8.210 -0.000 0.000 0.446 76 S N 4.434 119.956 115.700 -0.298 0.000 2.664 76 S HA 0.601 5.071 4.470 0.001 0.000 0.304 76 S C 0.292 174.793 174.600 -0.166 0.000 1.099 76 S CA -0.830 57.256 58.200 -0.189 0.000 1.003 76 S CB 1.734 64.848 63.200 -0.144 0.000 1.092 76 S HN 0.745 9.055 8.310 -0.000 0.000 0.525 77 R N -0.512 119.922 120.500 -0.109 0.000 3.741 77 R HA -0.126 4.214 4.340 0.001 0.000 0.292 77 R C -0.355 175.897 176.300 -0.080 0.000 1.176 77 R CA 0.544 56.596 56.100 -0.079 0.000 0.794 77 R CB -2.646 27.615 30.300 -0.066 0.000 1.213 77 R HN 0.564 8.834 8.270 -0.000 0.000 0.494 78 V N 1.317 121.172 119.914 -0.098 0.000 2.839 78 V HA -0.224 3.896 4.120 0.001 0.000 0.296 78 V C 1.303 177.377 176.094 -0.035 0.000 1.239 78 V CA 1.368 63.618 62.300 -0.083 0.000 1.349 78 V CB 0.136 31.918 31.823 -0.069 0.000 0.852 78 V HN 0.240 8.430 8.190 -0.000 0.000 0.504 79 E N 2.712 122.905 120.200 -0.012 0.000 2.281 79 E HA 0.642 4.993 4.350 0.001 0.000 0.257 79 E C 1.069 177.693 176.600 0.040 0.000 0.971 79 E CA -0.334 56.076 56.400 0.016 0.000 0.839 79 E CB 1.455 31.171 29.700 0.027 0.000 1.238 79 E HN 0.608 8.968 8.360 -0.000 0.000 0.412 80 A N 0.697 123.544 122.820 0.045 0.000 1.873 80 A HA -0.074 4.246 4.320 0.001 0.000 0.215 80 A C 1.872 179.500 177.584 0.072 0.000 1.186 80 A CA 1.704 53.776 52.037 0.058 0.000 0.616 80 A CB -1.043 17.987 19.000 0.050 0.000 0.823 80 A HN 0.665 8.815 8.150 -0.000 0.000 0.442 81 G N -0.924 107.918 108.800 0.071 0.000 3.094 81 G HA2 0.119 4.079 3.960 0.001 0.000 0.208 81 G HA3 0.119 4.079 3.960 0.001 0.000 0.208 81 G C 0.219 175.188 174.900 0.115 0.000 1.189 81 G CA 0.755 45.904 45.100 0.083 0.000 0.856 81 G HN 0.450 8.740 8.290 -0.000 0.000 0.510 82 D N -0.130 120.344 120.400 0.124 0.000 2.379 82 D HA 0.080 4.720 4.640 0.001 0.000 0.208 82 D C 0.821 177.252 176.300 0.218 0.000 1.065 82 D CA -0.077 54.033 54.000 0.183 0.000 0.848 82 D CB 0.378 41.254 40.800 0.126 0.000 0.949 82 D HN 0.369 8.739 8.370 -0.000 0.000 0.509 83 E N 0.914 121.206 120.200 0.152 0.000 2.417 83 E HA 0.398 4.748 4.350 0.001 0.000 0.261 83 E C -0.147 176.510 176.600 0.096 0.000 1.000 83 E CA 0.012 56.497 56.400 0.141 0.000 0.919 83 E CB 0.878 30.646 29.700 0.113 0.000 0.955 83 E HN 0.143 8.503 8.360 -0.000 0.000 0.455 84 A N 3.765 126.622 122.820 0.063 0.000 2.410 84 A HA 0.333 4.653 4.320 0.001 0.000 0.300 84 A C -1.714 175.731 177.584 -0.232 0.000 1.077 84 A CA -0.986 50.972 52.037 -0.131 0.000 0.610 84 A CB 0.970 19.802 19.000 -0.279 0.000 1.371 84 A HN 0.505 8.655 8.150 -0.000 0.000 0.510 85 D N -0.150 120.063 120.400 -0.312 0.000 2.163 85 D HA 0.639 5.279 4.640 0.001 0.000 0.248 85 D C -1.494 174.526 176.300 -0.467 0.000 1.035 85 D CA 0.672 54.504 54.000 -0.281 0.000 0.872 85 D CB 0.864 41.569 40.800 -0.159 0.000 1.183 85 D HN 0.356 8.726 8.370 -0.000 0.000 0.445 86 Y N 1.135 121.357 120.300 -0.131 0.000 2.338 86 Y HA 0.402 4.953 4.550 0.001 0.000 0.333 86 Y C -0.829 175.065 175.900 -0.010 0.000 0.968 86 Y CA -0.984 57.161 58.100 0.076 0.000 1.123 86 Y CB 0.997 39.578 38.460 0.202 0.000 1.165 86 Y HN 0.296 8.576 8.280 -0.000 0.000 0.452 87 Y N 1.888 122.460 120.300 0.454 0.000 2.377 87 Y HA 0.526 5.076 4.550 0.001 0.000 0.339 87 Y C 0.249 176.354 175.900 0.342 0.000 1.011 87 Y CA -1.382 56.941 58.100 0.372 0.000 1.093 87 Y CB 1.253 39.887 38.460 0.290 0.000 1.201 87 Y HN 0.704 8.984 8.280 -0.000 0.000 0.455 88 c N 2.563 121.252 118.600 0.149 0.000 2.388 88 c HA 0.672 5.242 4.570 0.001 0.000 0.362 88 c C -0.421 173.658 174.090 -0.018 0.000 1.266 88 c CA -0.639 55.453 56.329 -0.395 0.000 2.028 88 c CB 0.788 42.658 42.510 -1.067 0.000 2.440 88 c HN 0.852 9.082 8.230 -0.000 0.000 0.547 89 Q N 2.424 122.203 119.800 -0.035 0.000 2.347 89 Q HA 0.745 5.086 4.340 0.001 0.000 0.271 89 Q C -0.917 175.077 176.000 -0.009 0.000 1.064 89 Q CA -0.316 55.454 55.803 -0.055 0.000 0.800 89 Q CB 2.344 31.082 28.738 0.000 0.000 1.304 89 Q HN 1.160 9.430 8.270 -0.000 0.000 0.438 90 V N 0.216 120.099 119.914 -0.051 0.000 3.156 90 V HA 0.747 4.867 4.120 0.001 0.000 0.310 90 V C -1.201 174.971 176.094 0.130 0.000 1.234 90 V CA -1.019 61.328 62.300 0.078 0.000 1.065 90 V CB 2.446 34.285 31.823 0.028 0.000 1.088 90 V HN 0.868 9.058 8.190 -0.000 0.000 0.451 91 W N 1.239 122.534 121.300 -0.008 0.000 2.819 91 W HA 0.657 5.318 4.660 0.001 0.000 0.337 91 W C -1.832 174.693 176.519 0.010 0.000 1.077 91 W CA -0.296 57.043 57.345 -0.010 0.000 1.226 91 W CB 2.128 31.591 29.460 0.005 0.000 1.419 91 W HN 0.865 9.045 8.180 -0.000 0.000 0.502 92 D N 1.372 121.141 120.400 -1.052 0.000 2.217 92 D HA 0.343 4.984 4.640 0.001 0.000 0.248 92 D C 0.123 175.787 176.300 -1.061 0.000 1.008 92 D CA -0.247 53.255 54.000 -0.830 0.000 0.914 92 D CB 2.384 42.845 40.800 -0.564 0.000 1.182 92 D HN 0.198 8.568 8.370 -0.000 0.000 0.451 93 S N 1.235 116.672 115.700 -0.440 0.000 2.505 93 S HA 0.076 4.546 4.470 0.001 0.000 0.216 93 S C 1.103 175.606 174.600 -0.162 0.000 1.018 93 S CA -0.160 57.925 58.200 -0.191 0.000 0.911 93 S CB -0.081 63.106 63.200 -0.021 0.000 0.818 93 S HN 0.532 8.842 8.310 -0.000 0.000 0.497 94 N N 0.671 119.244 118.700 -0.212 0.000 2.392 94 N HA 0.122 4.863 4.740 0.001 0.000 0.177 94 N C -0.964 174.419 175.510 -0.212 0.000 1.066 94 N CA 0.305 53.257 53.050 -0.165 0.000 0.895 94 N CB 0.320 38.724 38.487 -0.138 0.000 0.988 94 N HN 0.151 8.531 8.380 -0.000 0.000 0.457 95 H N -1.816 116.762 119.070 -0.821 0.000 4.111 95 H HA -0.064 4.492 4.556 0.001 0.000 0.534 95 H C -1.398 173.755 175.328 -0.293 0.000 1.696 95 H CA -0.752 55.074 56.048 -0.371 0.000 1.884 95 H CB -0.469 29.156 29.762 -0.229 0.000 3.242 95 H HN -0.266 8.014 8.280 -0.000 0.000 0.546 96 V N 3.988 123.964 119.914 0.104 0.000 2.408 96 V HA 0.331 4.452 4.120 0.001 0.000 0.267 96 V C 0.427 176.441 176.094 -0.134 0.000 1.047 96 V CA -0.471 61.864 62.300 0.060 0.000 0.937 96 V CB 1.156 32.999 31.823 0.033 0.000 0.999 96 V HN 0.420 8.610 8.190 -0.000 0.000 0.472 97 V N 6.594 126.412 119.914 -0.160 0.000 2.347 97 V HA 0.465 4.586 4.120 0.001 0.000 0.280 97 V C -0.161 175.816 176.094 -0.194 0.000 1.021 97 V CA -0.387 61.840 62.300 -0.122 0.000 0.847 97 V CB 1.068 32.861 31.823 -0.050 0.000 0.990 97 V HN 0.604 8.794 8.190 -0.000 0.000 0.444 98 F N 2.251 122.212 119.950 0.018 0.000 2.375 98 F HA 0.775 5.303 4.527 0.001 0.000 0.317 98 F C 1.088 176.932 175.800 0.073 0.000 1.124 98 F CA -0.050 57.977 58.000 0.045 0.000 1.050 98 F CB 1.122 40.119 39.000 -0.005 0.000 1.314 98 F HN 0.538 8.838 8.300 -0.000 0.000 0.511 99 G N -0.675 108.357 108.800 0.387 0.000 2.537 99 G HA2 0.437 4.398 3.960 0.001 0.000 0.323 99 G HA3 0.437 4.398 3.960 0.001 0.000 0.323 99 G C 0.805 175.888 174.900 0.305 0.000 1.207 99 G CA -0.353 44.901 45.100 0.258 0.000 0.976 99 G HN 0.868 9.158 8.290 -0.000 0.000 0.487 100 G N -0.725 108.193 108.800 0.195 0.000 2.505 100 G HA2 0.344 4.304 3.960 0.001 0.000 0.220 100 G HA3 0.344 4.304 3.960 0.001 0.000 0.220 100 G C 1.146 176.142 174.900 0.160 0.000 1.145 100 G CA 1.336 46.537 45.100 0.169 0.000 0.761 100 G HN 2.189 10.479 8.290 -0.000 0.000 0.571 101 G N -3.012 105.824 108.800 0.059 0.000 2.612 101 G HA2 0.327 4.288 3.960 0.001 0.000 0.686 101 G HA3 0.327 4.288 3.960 0.001 0.000 0.686 101 G C -0.633 174.201 174.900 -0.110 0.000 1.274 101 G CA -0.260 44.678 45.100 -0.269 0.000 0.849 101 G HN 0.927 9.217 8.290 -0.000 0.000 0.595 102 T N 1.141 115.625 114.554 -0.117 0.000 3.032 102 T HA 0.548 4.898 4.350 0.001 0.000 0.312 102 T C -0.374 174.360 174.700 0.056 0.000 1.078 102 T CA -0.663 61.451 62.100 0.023 0.000 1.028 102 T CB 1.887 70.817 68.868 0.104 0.000 1.091 102 T HN 0.690 8.930 8.240 -0.000 0.000 0.457 103 Q N 1.718 121.548 119.800 0.051 0.000 2.274 103 Q HA 0.467 4.808 4.340 0.001 0.000 0.256 103 Q C -0.959 175.106 176.000 0.108 0.000 0.927 103 Q CA -0.838 55.006 55.803 0.069 0.000 0.939 103 Q CB 1.624 30.386 28.738 0.039 0.000 1.201 103 Q HN 0.381 8.651 8.270 -0.000 0.000 0.426 104 L N 3.427 124.752 121.223 0.170 0.000 2.255 104 L HA 0.322 4.663 4.340 0.001 0.000 0.289 104 L C -0.426 176.510 176.870 0.110 0.000 1.046 104 L CA 0.456 55.394 54.840 0.163 0.000 0.816 104 L CB 1.145 43.382 42.059 0.297 0.000 1.197 104 L HN 0.557 8.787 8.230 -0.000 0.000 0.427 105 T N 4.661 119.253 114.554 0.064 0.000 2.893 105 T HA 0.655 5.006 4.350 0.001 0.000 0.281 105 T C -0.543 174.196 174.700 0.066 0.000 1.027 105 T CA -0.632 61.497 62.100 0.048 0.000 0.953 105 T CB 0.998 69.858 68.868 -0.014 0.000 1.434 105 T HN 0.411 8.651 8.240 -0.000 0.000 0.597 106 L N 0.871 122.177 121.223 0.138 0.000 2.573 106 L HA 0.505 4.846 4.340 0.001 0.000 0.260 106 L C 0.311 177.248 176.870 0.111 0.000 0.997 106 L CA -0.683 54.277 54.840 0.200 0.000 0.890 106 L CB 1.451 43.610 42.059 0.166 0.000 1.179 106 L HN 0.912 9.142 8.230 -0.000 0.000 0.439 107 G N 2.002 110.863 108.800 0.101 0.000 4.433 107 G HA2 0.479 4.439 3.960 0.001 0.000 0.304 107 G HA3 0.479 4.439 3.960 0.001 0.000 0.304 107 G C -0.203 174.638 174.900 -0.097 0.000 1.254 107 G CA 0.118 45.225 45.100 0.012 0.000 0.999 107 G HN 0.502 8.792 8.290 -0.000 0.000 0.576 108 Q N 0.028 119.688 119.800 -0.232 0.000 2.527 108 Q HA 0.255 4.595 4.340 0.001 0.000 0.280 108 Q C -2.842 172.934 176.000 -0.374 0.000 0.977 108 Q CA -1.418 54.147 55.803 -0.397 0.000 0.837 108 Q CB 3.102 31.410 28.738 -0.716 0.000 1.454 108 Q HN 0.105 8.375 8.270 -0.000 0.000 0.387 109 P HA 0.045 4.465 4.420 -0.000 0.000 0.275 109 P C -1.001 176.241 177.300 -0.096 0.000 1.276 109 P CA -0.197 62.830 63.100 -0.122 0.000 0.782 109 P CB 0.079 31.737 31.700 -0.071 0.000 0.851 110 K N 2.427 122.836 120.400 0.016 0.000 2.466 110 K HA 0.341 4.661 4.320 0.001 0.000 0.278 110 K C -0.215 176.495 176.600 0.183 0.000 1.048 110 K CA -0.278 56.128 56.287 0.198 0.000 1.088 110 K CB 0.123 32.774 32.500 0.251 0.000 0.884 110 K HN 0.387 8.637 8.250 -0.000 0.000 0.478 111 A N 2.935 125.904 122.820 0.249 0.000 2.299 111 A HA 0.722 5.042 4.320 0.001 0.000 0.332 111 A C -0.586 177.162 177.584 0.275 0.000 1.131 111 A CA -0.630 51.530 52.037 0.205 0.000 0.844 111 A CB 1.421 20.509 19.000 0.147 0.000 1.251 111 A HN 0.955 9.105 8.150 -0.000 0.000 0.486 112 A N 0.800 123.738 122.820 0.197 0.000 2.282 112 A HA 0.809 5.129 4.320 0.001 0.000 0.319 112 A C -2.578 175.072 177.584 0.110 0.000 1.121 112 A CA -1.743 50.403 52.037 0.182 0.000 0.836 112 A CB -0.088 18.997 19.000 0.142 0.000 1.146 112 A HN 0.580 8.730 8.150 -0.000 0.000 0.494 113 P HA 0.262 4.682 4.420 -0.000 0.000 0.272 113 P C -0.430 176.898 177.300 0.046 0.000 1.254 113 P CA -0.121 62.981 63.100 0.003 0.000 0.795 113 P CB 0.559 32.145 31.700 -0.191 0.000 1.022 114 S N -0.197 115.541 115.700 0.063 0.000 2.279 114 S HA 0.247 4.718 4.470 0.001 0.000 0.176 114 S C -0.605 174.010 174.600 0.025 0.000 1.554 114 S CA -0.512 57.714 58.200 0.042 0.000 1.242 114 S CB 0.012 63.248 63.200 0.060 0.000 1.163 114 S HN 0.094 8.404 8.310 -0.000 0.000 0.449 115 V N 3.103 123.009 119.914 -0.013 0.000 2.521 115 V HA 0.299 4.419 4.120 0.001 0.000 0.286 115 V C 0.446 176.521 176.094 -0.031 0.000 1.034 115 V CA 0.244 62.524 62.300 -0.034 0.000 1.045 115 V CB 0.863 32.640 31.823 -0.077 0.000 0.974 115 V HN 0.682 8.872 8.190 -0.000 0.000 0.480 116 T N 6.621 121.169 114.554 -0.010 0.000 2.840 116 T HA 0.492 4.842 4.350 0.001 0.000 0.287 116 T C -0.733 173.944 174.700 -0.038 0.000 0.991 116 T CA -0.333 61.733 62.100 -0.057 0.000 0.964 116 T CB 1.359 70.222 68.868 -0.010 0.000 0.954 116 T HN 0.395 8.635 8.240 -0.000 0.000 0.438 117 L N 4.769 125.915 121.223 -0.129 0.000 2.301 117 L HA 0.613 4.953 4.340 0.001 0.000 0.278 117 L C -1.372 175.462 176.870 -0.060 0.000 1.022 117 L CA -0.778 54.061 54.840 -0.002 0.000 0.854 117 L CB -0.332 41.739 42.059 0.021 0.000 1.226 117 L HN 0.518 8.748 8.230 -0.000 0.000 0.429 118 F N 6.654 126.640 119.950 0.059 0.000 2.384 118 F HA 0.599 5.127 4.527 0.001 0.000 0.338 118 F C -1.699 174.118 175.800 0.028 0.000 1.103 118 F CA -1.353 56.671 58.000 0.040 0.000 1.157 118 F CB 0.725 39.736 39.000 0.018 0.000 1.167 118 F HN 0.429 8.729 8.300 -0.000 0.000 0.529 119 P HA 0.319 4.739 4.420 -0.000 0.000 0.285 119 P C -2.789 174.433 177.300 -0.130 0.000 1.285 119 P CA -2.515 60.586 63.100 0.002 0.000 0.854 119 P CB 0.662 32.430 31.700 0.114 0.000 1.180 120 P HA 0.001 4.421 4.420 -0.000 0.000 0.257 120 P C 0.551 177.729 177.300 -0.204 0.000 1.189 120 P CA 0.534 63.384 63.100 -0.416 0.000 0.780 120 P CB -0.347 30.868 31.700 -0.808 0.000 0.772 121 S N 1.988 117.623 115.700 -0.108 0.000 2.572 121 S HA -0.009 4.461 4.470 0.001 0.000 0.262 121 S C 1.404 175.979 174.600 -0.041 0.000 1.375 121 S CA 0.115 58.290 58.200 -0.042 0.000 0.996 121 S CB 0.072 63.254 63.200 -0.031 0.000 0.892 121 S HN 0.354 8.664 8.310 -0.000 0.000 0.562 122 S N 1.191 116.887 115.700 -0.007 0.000 2.348 122 S HA -0.133 4.337 4.470 0.001 0.000 0.221 122 S C 1.887 176.481 174.600 -0.011 0.000 1.033 122 S CA 1.502 59.704 58.200 0.003 0.000 1.010 122 S CB -0.675 62.535 63.200 0.016 0.000 0.891 122 S HN 0.818 9.128 8.310 -0.000 0.000 0.442 123 E N 1.057 121.248 120.200 -0.016 0.000 2.031 123 E HA -0.216 4.134 4.350 0.001 0.000 0.193 123 E C 2.218 178.798 176.600 -0.033 0.000 0.994 123 E CA 1.087 57.475 56.400 -0.020 0.000 0.800 123 E CB -0.227 29.461 29.700 -0.021 0.000 0.752 123 E HN 0.595 8.955 8.360 -0.000 0.000 0.447 124 E N 0.969 121.138 120.200 -0.051 0.000 2.160 124 E HA -0.210 4.140 4.350 0.001 0.000 0.195 124 E C 2.103 178.661 176.600 -0.069 0.000 0.991 124 E CA 0.700 57.059 56.400 -0.068 0.000 0.810 124 E CB -0.004 29.639 29.700 -0.095 0.000 0.742 124 E HN 0.219 8.579 8.360 -0.000 0.000 0.466 125 L N 0.374 121.558 121.223 -0.066 0.000 2.156 125 L HA -0.159 4.182 4.340 0.001 0.000 0.208 125 L C 2.668 179.529 176.870 -0.016 0.000 1.095 125 L CA 0.873 55.685 54.840 -0.047 0.000 0.770 125 L CB -0.196 41.845 42.059 -0.030 0.000 0.914 125 L HN 0.165 8.395 8.230 -0.000 0.000 0.439 126 Q N 0.560 120.353 119.800 -0.012 0.000 2.226 126 Q HA -0.108 4.232 4.340 0.001 0.000 0.204 126 Q C 1.798 177.792 176.000 -0.010 0.000 0.975 126 Q CA 1.585 57.385 55.803 -0.004 0.000 0.866 126 Q CB -0.128 28.608 28.738 -0.003 0.000 0.915 126 Q HN 0.416 8.686 8.270 -0.000 0.000 0.440 127 A N -0.102 122.705 122.820 -0.021 0.000 2.302 127 A HA 0.154 4.475 4.320 0.001 0.000 0.219 127 A C 0.446 178.015 177.584 -0.024 0.000 1.243 127 A CA 0.497 52.520 52.037 -0.023 0.000 0.856 127 A CB -0.498 18.483 19.000 -0.032 0.000 0.893 127 A HN 0.523 8.673 8.150 -0.000 0.000 0.491 128 N N -0.563 118.126 118.700 -0.018 0.000 2.758 128 N HA -0.131 4.610 4.740 0.001 0.000 0.248 128 N C -0.949 174.544 175.510 -0.028 0.000 1.076 128 N CA 1.046 54.088 53.050 -0.013 0.000 0.696 128 N CB -0.839 37.644 38.487 -0.006 0.000 0.979 128 N HN 0.461 8.841 8.380 -0.000 0.000 0.550 129 K N -0.456 119.913 120.400 -0.050 0.000 2.508 129 K HA 0.878 5.198 4.320 0.001 0.000 0.260 129 K C -0.933 175.594 176.600 -0.122 0.000 0.949 129 K CA -0.364 55.878 56.287 -0.075 0.000 0.834 129 K CB 1.975 34.429 32.500 -0.076 0.000 1.365 129 K HN 0.173 8.423 8.250 -0.000 0.000 0.437 130 A N 0.757 123.484 122.820 -0.155 0.000 2.455 130 A HA 0.761 5.082 4.320 0.001 0.000 0.300 130 A C -1.140 176.290 177.584 -0.255 0.000 1.040 130 A CA -0.533 51.346 52.037 -0.263 0.000 0.697 130 A CB 1.565 20.380 19.000 -0.307 0.000 1.265 130 A HN 0.470 8.620 8.150 -0.000 0.000 0.407 131 T N 2.767 117.147 114.554 -0.289 0.000 3.293 131 T HA 0.389 4.739 4.350 0.001 0.000 0.320 131 T C -0.858 173.715 174.700 -0.212 0.000 0.995 131 T CA -0.257 61.712 62.100 -0.218 0.000 1.041 131 T CB 0.462 69.260 68.868 -0.117 0.000 1.058 131 T HN 0.522 8.762 8.240 -0.000 0.000 0.453 132 L N 3.191 124.266 121.223 -0.247 0.000 2.290 132 L HA 0.613 4.954 4.340 0.001 0.000 0.284 132 L C -0.228 176.650 176.870 0.014 0.000 1.078 132 L CA -0.816 53.948 54.840 -0.127 0.000 0.815 132 L CB 1.047 43.013 42.059 -0.154 0.000 1.162 132 L HN 0.329 8.559 8.230 -0.000 0.000 0.435 133 V N 3.032 123.038 119.914 0.153 0.000 2.326 133 V HA 0.180 4.301 4.120 0.001 0.000 0.281 133 V C -0.169 176.074 176.094 0.248 0.000 1.015 133 V CA -0.585 61.785 62.300 0.117 0.000 0.823 133 V CB 1.563 33.408 31.823 0.036 0.000 1.009 133 V HN 0.886 9.076 8.190 -0.000 0.000 0.436 134 c N 7.597 126.351 118.600 0.257 0.000 2.307 134 c HA 0.729 5.300 4.570 0.001 0.000 0.340 134 c C -0.221 173.887 174.090 0.030 0.000 1.275 134 c CA -0.463 55.947 56.329 0.134 0.000 1.811 134 c CB -0.650 41.824 42.510 -0.061 0.000 2.372 134 c HN 0.848 9.078 8.230 -0.000 0.000 0.531 135 L N 7.935 129.201 121.223 0.071 0.000 2.342 135 L HA 0.536 4.877 4.340 0.001 0.000 0.276 135 L C -0.398 176.510 176.870 0.063 0.000 0.997 135 L CA -0.315 54.565 54.840 0.067 0.000 0.838 135 L CB 1.189 43.330 42.059 0.137 0.000 1.224 135 L HN 0.583 8.813 8.230 -0.000 0.000 0.416 136 I N 2.532 123.140 120.570 0.064 0.000 2.336 136 I HA 0.511 4.681 4.170 0.001 0.000 0.292 136 I C 0.230 176.483 176.117 0.227 0.000 0.991 136 I CA -0.147 61.208 61.300 0.092 0.000 1.227 136 I CB 1.554 39.555 38.000 0.001 0.000 1.366 136 I HN 0.598 8.808 8.210 -0.000 0.000 0.466 137 S N 2.978 118.809 115.700 0.220 0.000 2.627 137 S HA 0.423 4.893 4.470 0.001 0.000 0.283 137 S C -0.729 173.986 174.600 0.192 0.000 1.127 137 S CA -0.885 57.430 58.200 0.191 0.000 0.863 137 S CB 2.004 65.264 63.200 0.100 0.000 1.121 137 S HN 0.744 9.055 8.310 -0.000 0.000 0.479 138 D N 0.967 121.410 120.400 0.071 0.000 2.927 138 D HA -0.138 4.502 4.640 0.001 0.000 0.236 138 D C -0.676 175.710 176.300 0.143 0.000 1.163 138 D CA 1.406 55.438 54.000 0.054 0.000 0.801 138 D CB -1.299 39.539 40.800 0.062 0.000 0.975 138 D HN 0.588 8.958 8.370 -0.000 0.000 0.413 139 F N -0.742 119.242 119.950 0.058 0.000 2.629 139 F HA 0.789 5.316 4.527 0.001 0.000 0.316 139 F C -1.292 174.592 175.800 0.140 0.000 1.081 139 F CA -1.322 56.675 58.000 -0.005 0.000 0.954 139 F CB 1.695 40.526 39.000 -0.281 0.000 1.337 139 F HN -0.056 8.244 8.300 -0.000 0.000 0.474 140 Y N 1.810 122.250 120.300 0.235 0.000 2.474 140 Y HA 0.533 5.084 4.550 0.001 0.000 0.326 140 Y C -2.949 173.121 175.900 0.285 0.000 1.160 140 Y CA -1.872 56.320 58.100 0.154 0.000 1.056 140 Y CB 2.575 41.091 38.460 0.093 0.000 1.330 140 Y HN 0.558 8.838 8.280 -0.000 0.000 0.447 141 P HA 0.244 4.664 4.420 -0.000 0.000 0.293 141 P C -0.363 176.631 177.300 -0.510 0.000 1.304 141 P CA -0.310 62.202 63.100 -0.980 0.000 0.767 141 P CB 0.838 32.053 31.700 -0.809 0.000 1.247 142 G N -0.692 107.469 108.800 -1.066 0.000 2.605 142 G HA2 0.437 4.398 3.960 0.001 0.000 0.301 142 G HA3 0.437 4.398 3.960 0.001 0.000 0.301 142 G C -0.242 174.604 174.900 -0.089 0.000 0.881 142 G CA 0.016 44.732 45.100 -0.639 0.000 1.553 142 G HN 0.651 8.941 8.290 -0.000 0.000 0.483 143 A N 2.116 125.014 122.820 0.130 0.000 2.475 143 A HA 0.532 4.852 4.320 0.001 0.000 0.300 143 A C -0.254 177.344 177.584 0.023 0.000 1.089 143 A CA -0.063 52.007 52.037 0.055 0.000 0.948 143 A CB 0.183 19.187 19.000 0.007 0.000 1.508 143 A HN 1.688 9.838 8.150 -0.000 0.000 0.385 144 V N -1.054 118.814 119.914 -0.077 0.000 3.240 144 V HA 1.035 5.155 4.120 0.001 0.000 0.306 144 V C -0.165 175.879 176.094 -0.083 0.000 1.227 144 V CA -0.781 61.420 62.300 -0.166 0.000 1.047 144 V CB 1.734 33.307 31.823 -0.416 0.000 1.203 144 V HN 0.891 9.081 8.190 -0.000 0.000 0.471 145 T N 0.619 115.115 114.554 -0.098 0.000 3.578 145 T HA 0.515 4.866 4.350 0.001 0.000 0.329 145 T C -0.883 173.766 174.700 -0.086 0.000 0.913 145 T CA -0.260 61.804 62.100 -0.061 0.000 1.029 145 T CB 1.129 69.972 68.868 -0.041 0.000 1.045 145 T HN 0.756 8.996 8.240 -0.000 0.000 0.460 146 V N 2.222 122.091 119.914 -0.074 0.000 2.532 146 V HA 0.959 5.079 4.120 0.001 0.000 0.295 146 V C 0.146 176.182 176.094 -0.096 0.000 1.041 146 V CA -0.752 61.468 62.300 -0.135 0.000 0.926 146 V CB 1.528 33.272 31.823 -0.131 0.000 0.992 146 V HN 1.059 9.249 8.190 -0.000 0.000 0.457 147 A N 3.353 126.057 122.820 -0.192 0.000 2.459 147 A HA 0.735 5.055 4.320 0.001 0.000 0.296 147 A C -1.742 175.753 177.584 -0.148 0.000 1.039 147 A CA -0.593 51.403 52.037 -0.068 0.000 0.698 147 A CB 0.904 19.892 19.000 -0.020 0.000 1.261 147 A HN 0.742 8.892 8.150 -0.000 0.000 0.405 148 W N 1.768 123.090 121.300 0.036 0.000 2.496 148 W HA 0.684 5.344 4.660 0.001 0.000 0.327 148 W C 0.320 176.870 176.519 0.052 0.000 1.086 148 W CA -0.176 57.204 57.345 0.059 0.000 1.222 148 W CB 1.577 31.086 29.460 0.082 0.000 1.304 148 W HN 0.567 8.747 8.180 -0.000 0.000 0.547 149 K N 1.790 122.345 120.400 0.258 0.000 2.469 149 K HA 0.782 5.102 4.320 0.001 0.000 0.254 149 K C -1.136 175.508 176.600 0.074 0.000 0.939 149 K CA -1.155 55.212 56.287 0.134 0.000 0.812 149 K CB 2.319 34.854 32.500 0.058 0.000 1.301 149 K HN 0.445 8.695 8.250 -0.000 0.000 0.433 150 A N 2.557 125.335 122.820 -0.070 0.000 2.323 150 A HA 0.421 4.741 4.320 0.001 0.000 0.305 150 A C -0.989 176.473 177.584 -0.203 0.000 1.275 150 A CA -0.416 51.395 52.037 -0.377 0.000 0.804 150 A CB 0.195 18.720 19.000 -0.793 0.000 1.152 150 A HN 0.845 8.995 8.150 -0.000 0.000 0.487 151 D N 2.490 122.794 120.400 -0.160 0.000 2.828 151 D HA -0.170 4.470 4.640 0.001 0.000 0.241 151 D C 1.040 177.322 176.300 -0.030 0.000 1.142 151 D CA 1.720 55.680 54.000 -0.067 0.000 0.755 151 D CB -1.558 39.228 40.800 -0.024 0.000 1.014 151 D HN 0.909 9.279 8.370 -0.000 0.000 0.420 152 S N -2.340 113.345 115.700 -0.026 0.000 1.552 152 S HA -0.334 4.137 4.470 0.001 0.000 0.237 152 S C 0.754 175.355 174.600 0.001 0.000 0.756 152 S CA 1.693 59.887 58.200 -0.010 0.000 1.349 152 S CB -0.833 62.362 63.200 -0.008 0.000 1.675 152 S HN 0.772 9.082 8.310 -0.000 0.000 0.517 153 S N 5.015 120.718 115.700 0.005 0.000 2.558 153 S HA 0.347 4.817 4.470 0.001 0.000 0.288 153 S C -2.497 172.119 174.600 0.026 0.000 1.318 153 S CA -0.827 57.384 58.200 0.019 0.000 1.056 153 S CB 0.379 63.597 63.200 0.030 0.000 0.853 153 S HN 0.217 8.527 8.310 -0.000 0.000 0.505 154 P HA 0.308 4.728 4.420 -0.000 0.000 0.274 154 P C -1.385 175.957 177.300 0.071 0.000 1.231 154 P CA -0.435 62.698 63.100 0.055 0.000 0.790 154 P CB 0.627 32.355 31.700 0.048 0.000 0.951 155 V N 3.224 123.203 119.914 0.107 0.000 2.577 155 V HA 0.325 4.446 4.120 0.001 0.000 0.303 155 V C 0.679 176.850 176.094 0.129 0.000 1.042 155 V CA -0.255 62.114 62.300 0.115 0.000 0.872 155 V CB 1.899 33.810 31.823 0.148 0.000 0.998 155 V HN 0.558 8.748 8.190 -0.000 0.000 0.423 156 K N 2.383 122.836 120.400 0.089 0.000 2.424 156 K HA 0.401 4.721 4.320 0.001 0.000 0.200 156 K C 0.988 177.617 176.600 0.049 0.000 1.279 156 K CA 0.502 56.838 56.287 0.082 0.000 0.918 156 K CB 0.900 33.442 32.500 0.069 0.000 1.287 156 K HN 0.724 8.974 8.250 -0.000 0.000 0.502 157 A N 1.620 124.462 122.820 0.036 0.000 2.524 157 A HA 0.342 4.663 4.320 0.001 0.000 0.271 157 A C 0.652 178.230 177.584 -0.010 0.000 1.097 157 A CA 1.212 53.259 52.037 0.018 0.000 0.791 157 A CB -1.128 17.886 19.000 0.023 0.000 1.028 157 A HN 0.554 8.704 8.150 -0.000 0.000 0.518 158 G N 1.407 110.194 108.800 -0.021 0.000 2.526 158 G HA2 0.099 4.060 3.960 0.001 0.000 0.225 158 G HA3 0.099 4.060 3.960 0.001 0.000 0.225 158 G C -0.419 174.420 174.900 -0.100 0.000 1.120 158 G CA -0.192 44.874 45.100 -0.056 0.000 0.904 158 G HN 1.461 9.751 8.290 -0.000 0.000 0.498 159 V N 0.005 119.886 119.914 -0.055 0.000 2.823 159 V HA 0.880 5.001 4.120 0.001 0.000 0.312 159 V C -0.448 175.667 176.094 0.035 0.000 1.072 159 V CA -1.040 61.226 62.300 -0.057 0.000 0.937 159 V CB 2.145 33.978 31.823 0.017 0.000 1.013 159 V HN 0.381 8.571 8.190 -0.000 0.000 0.430 160 E N 1.286 121.541 120.200 0.092 0.000 2.340 160 E HA 0.714 5.065 4.350 0.001 0.000 0.273 160 E C -1.264 175.484 176.600 0.248 0.000 0.891 160 E CA -0.555 55.936 56.400 0.152 0.000 0.757 160 E CB 2.584 32.359 29.700 0.125 0.000 1.231 160 E HN 0.694 9.054 8.360 -0.000 0.000 0.439 161 T N 0.823 115.501 114.554 0.208 0.000 3.032 161 T HA 0.337 4.687 4.350 0.001 0.000 0.312 161 T C 0.084 174.884 174.700 0.166 0.000 1.078 161 T CA -0.786 61.434 62.100 0.199 0.000 1.028 161 T CB 1.587 70.555 68.868 0.166 0.000 1.091 161 T HN 0.573 8.813 8.240 -0.000 0.000 0.457 162 T N 0.472 115.129 114.554 0.171 0.000 2.729 162 T HA 0.521 4.872 4.350 0.001 0.000 0.298 162 T C 0.170 174.945 174.700 0.125 0.000 1.013 162 T CA -0.405 61.782 62.100 0.146 0.000 0.957 162 T CB 0.505 69.465 68.868 0.154 0.000 1.130 162 T HN 0.427 8.667 8.240 -0.000 0.000 0.526 163 T N 2.566 117.190 114.554 0.117 0.000 2.824 163 T HA 0.514 4.865 4.350 0.001 0.000 0.280 163 T C -2.520 172.275 174.700 0.157 0.000 0.995 163 T CA -0.893 61.282 62.100 0.125 0.000 1.009 163 T CB 1.076 70.006 68.868 0.103 0.000 0.955 163 T HN 0.519 8.759 8.240 -0.000 0.000 0.452 164 P HA 0.061 4.481 4.420 -0.000 0.000 0.261 164 P C -0.873 176.565 177.300 0.230 0.000 1.165 164 P CA 0.140 63.438 63.100 0.330 0.000 0.759 164 P CB 0.212 32.183 31.700 0.452 0.000 0.772 165 S N 1.621 117.364 115.700 0.072 0.000 2.547 165 S HA 0.416 4.886 4.470 0.001 0.000 0.281 165 S C -0.649 173.704 174.600 -0.411 0.000 1.118 165 S CA -1.205 56.922 58.200 -0.123 0.000 0.947 165 S CB 1.633 64.802 63.200 -0.052 0.000 1.053 165 S HN 0.311 8.621 8.310 -0.000 0.000 0.482 166 K N 2.176 122.207 120.400 -0.614 0.000 2.447 166 K HA 0.093 4.414 4.320 0.001 0.000 0.281 166 K C 0.453 176.849 176.600 -0.341 0.000 1.031 166 K CA 0.068 55.933 56.287 -0.702 0.000 1.019 166 K CB 0.352 32.520 32.500 -0.553 0.000 0.918 166 K HN 0.695 8.945 8.250 -0.000 0.000 0.476 167 Q N 1.143 120.774 119.800 -0.282 0.000 2.306 167 Q HA 0.002 4.342 4.340 0.001 0.000 0.175 167 Q C 1.119 177.051 176.000 -0.114 0.000 1.107 167 Q CA -0.184 55.527 55.803 -0.154 0.000 1.170 167 Q CB 0.249 28.918 28.738 -0.116 0.000 1.376 167 Q HN 0.707 8.977 8.270 -0.000 0.000 0.618 168 S N 0.402 116.058 115.700 -0.073 0.000 2.414 168 S HA -0.092 4.379 4.470 0.001 0.000 0.227 168 S C 1.105 175.678 174.600 -0.045 0.000 1.022 168 S CA 1.301 59.470 58.200 -0.052 0.000 0.958 168 S CB -0.252 62.927 63.200 -0.035 0.000 0.797 168 S HN 0.646 8.956 8.310 -0.000 0.000 0.493 169 N N 0.858 119.533 118.700 -0.043 0.000 2.322 169 N HA 0.172 4.913 4.740 0.001 0.000 0.216 169 N C 0.084 175.577 175.510 -0.029 0.000 1.144 169 N CA 0.477 53.509 53.050 -0.030 0.000 0.830 169 N CB -1.039 37.436 38.487 -0.021 0.000 1.034 169 N HN 0.498 8.878 8.380 -0.000 0.000 0.484 170 N N -1.568 117.102 118.700 -0.049 0.000 2.951 170 N HA -0.226 4.514 4.740 0.001 0.000 0.218 170 N C -0.701 174.814 175.510 0.008 0.000 0.858 170 N CA 1.559 54.589 53.050 -0.033 0.000 1.050 170 N CB -0.874 37.621 38.487 0.013 0.000 1.012 170 N HN 0.408 8.788 8.380 -0.000 0.000 0.611 171 K N -0.093 120.313 120.400 0.009 0.000 2.187 171 K HA 0.233 4.553 4.320 0.001 0.000 0.247 171 K C -0.166 176.366 176.600 -0.113 0.000 1.019 171 K CA 0.199 56.529 56.287 0.072 0.000 0.893 171 K CB 0.300 32.813 32.500 0.021 0.000 1.025 171 K HN 0.091 8.341 8.250 -0.000 0.000 0.500 172 Y N -0.830 119.187 120.300 -0.473 0.000 2.519 172 Y HA 0.566 5.117 4.550 0.001 0.000 0.324 172 Y C 0.129 175.467 175.900 -0.936 0.000 1.214 172 Y CA -0.742 56.896 58.100 -0.770 0.000 1.260 172 Y CB 2.019 39.837 38.460 -1.070 0.000 1.311 172 Y HN 0.615 8.895 8.280 -0.000 0.000 0.505 173 A N 0.297 122.894 122.820 -0.372 0.000 2.608 173 A HA 0.892 5.213 4.320 0.001 0.000 0.292 173 A C -1.732 176.006 177.584 0.257 0.000 1.066 173 A CA -0.077 51.993 52.037 0.055 0.000 0.676 173 A CB 1.033 20.041 19.000 0.013 0.000 1.277 173 A HN 1.004 9.154 8.150 -0.000 0.000 0.413 174 A N -0.179 122.822 122.820 0.302 0.000 2.533 174 A HA 0.995 5.315 4.320 0.001 0.000 0.293 174 A C -0.454 177.194 177.584 0.107 0.000 1.228 174 A CA -0.073 52.087 52.037 0.206 0.000 0.689 174 A CB 1.141 20.273 19.000 0.221 0.000 1.303 174 A HN 1.776 9.926 8.150 -0.000 0.000 0.444 175 S N -0.830 114.912 115.700 0.070 0.000 2.579 175 S HA 0.814 5.284 4.470 0.001 0.000 0.272 175 S C -0.985 173.588 174.600 -0.045 0.000 1.141 175 S CA -0.364 57.812 58.200 -0.040 0.000 0.843 175 S CB 1.721 64.892 63.200 -0.049 0.000 1.122 175 S HN 1.463 9.773 8.310 -0.000 0.000 0.468 176 S N 1.110 116.700 115.700 -0.184 0.000 2.626 176 S HA 0.601 5.072 4.470 0.001 0.000 0.275 176 S C -2.187 172.435 174.600 0.036 0.000 1.175 176 S CA -0.516 57.730 58.200 0.076 0.000 0.982 176 S CB 0.336 63.721 63.200 0.308 0.000 1.093 176 S HN 0.550 8.860 8.310 -0.000 0.000 0.472 177 Y N 3.512 123.908 120.300 0.161 0.000 2.352 177 Y HA 0.686 5.236 4.550 0.001 0.000 0.339 177 Y C -0.131 175.554 175.900 -0.359 0.000 0.992 177 Y CA -1.047 57.020 58.100 -0.056 0.000 1.100 177 Y CB 1.447 39.870 38.460 -0.062 0.000 1.192 177 Y HN 0.561 8.841 8.280 -0.000 0.000 0.458 178 L N 2.632 123.499 121.223 -0.594 0.000 2.322 178 L HA 0.656 4.997 4.340 0.001 0.000 0.281 178 L C -0.637 175.985 176.870 -0.413 0.000 1.014 178 L CA -0.181 54.207 54.840 -0.753 0.000 0.815 178 L CB 1.549 42.773 42.059 -1.393 0.000 1.247 178 L HN 0.539 8.769 8.230 -0.000 0.000 0.421 179 S N 5.728 121.259 115.700 -0.282 0.000 2.475 179 S HA 0.830 5.301 4.470 0.001 0.000 0.298 179 S C -0.622 173.874 174.600 -0.175 0.000 1.119 179 S CA -0.501 57.580 58.200 -0.199 0.000 1.085 179 S CB 1.022 64.139 63.200 -0.137 0.000 1.028 179 S HN 0.579 8.889 8.310 -0.000 0.000 0.489 180 L N 1.735 122.861 121.223 -0.162 0.000 2.415 180 L HA 0.579 4.920 4.340 0.001 0.000 0.256 180 L C 0.070 176.906 176.870 -0.056 0.000 1.010 180 L CA -0.971 53.809 54.840 -0.101 0.000 0.826 180 L CB 2.516 44.500 42.059 -0.125 0.000 1.405 180 L HN 0.673 8.903 8.230 -0.000 0.000 0.410 181 T N -2.816 111.741 114.554 0.006 0.000 2.845 181 T HA 0.314 4.665 4.350 0.001 0.000 0.288 181 T C -2.116 172.635 174.700 0.085 0.000 0.980 181 T CA -1.859 60.258 62.100 0.027 0.000 1.071 181 T CB 1.512 70.403 68.868 0.039 0.000 0.941 181 T HN 0.288 8.528 8.240 -0.000 0.000 0.487 182 P HA -0.151 4.269 4.420 -0.000 0.000 0.218 182 P C 1.133 178.556 177.300 0.204 0.000 1.150 182 P CA 1.112 64.308 63.100 0.161 0.000 0.841 182 P CB 0.104 31.866 31.700 0.103 0.000 0.784 183 E N -0.705 119.578 120.200 0.137 0.000 2.110 183 E HA -0.183 4.167 4.350 0.001 0.000 0.193 183 E C 2.105 178.800 176.600 0.159 0.000 0.988 183 E CA 1.205 57.678 56.400 0.122 0.000 0.804 183 E CB -0.668 29.082 29.700 0.084 0.000 0.745 183 E HN 0.436 8.796 8.360 -0.000 0.000 0.458 184 Q N -0.729 119.191 119.800 0.200 0.000 2.137 184 Q HA -0.066 4.275 4.340 0.001 0.000 0.198 184 Q C 1.845 178.085 176.000 0.401 0.000 0.960 184 Q CA 0.805 56.783 55.803 0.291 0.000 0.847 184 Q CB -0.291 28.599 28.738 0.253 0.000 0.915 184 Q HN 0.478 8.748 8.270 -0.000 0.000 0.448 185 W N 2.100 123.473 121.300 0.122 0.000 2.465 185 W HA -0.124 4.536 4.660 0.000 0.000 0.268 185 W C 0.786 177.411 176.519 0.177 0.000 1.242 185 W CA 0.996 58.399 57.345 0.096 0.000 1.248 185 W CB 0.245 29.687 29.460 -0.029 0.000 1.118 185 W HN 0.069 8.249 8.180 -0.000 0.000 0.587 186 K N 0.127 120.557 120.400 0.050 0.000 2.202 186 K HA -0.087 4.234 4.320 0.001 0.000 0.201 186 K C 2.462 179.032 176.600 -0.050 0.000 1.051 186 K CA 1.341 57.582 56.287 -0.078 0.000 0.977 186 K CB -0.255 32.259 32.500 0.023 0.000 0.792 186 K HN 0.001 8.251 8.250 -0.000 0.000 0.469 187 S N 0.862 116.581 115.700 0.030 0.000 2.353 187 S HA -0.136 4.335 4.470 0.001 0.000 0.222 187 S C 1.074 175.601 174.600 -0.122 0.000 1.035 187 S CA 0.688 58.858 58.200 -0.049 0.000 1.025 187 S CB -0.795 62.367 63.200 -0.064 0.000 0.902 187 S HN 0.218 8.528 8.310 -0.000 0.000 0.440 188 H N 1.045 120.101 119.070 -0.024 0.000 2.671 188 H HA 0.309 4.865 4.556 0.001 0.000 0.372 188 H C 1.169 176.402 175.328 -0.159 0.000 1.227 188 H CA 0.080 56.061 56.048 -0.112 0.000 1.426 188 H CB 0.563 30.185 29.762 -0.233 0.000 1.480 188 H HN 0.334 8.614 8.280 -0.000 0.000 0.611 189 R N 0.277 120.740 120.500 -0.062 0.000 2.237 189 R HA 0.071 4.411 4.340 0.001 0.000 0.195 189 R C -0.057 176.185 176.300 -0.097 0.000 0.956 189 R CA 0.360 56.404 56.100 -0.094 0.000 1.029 189 R CB 0.539 30.794 30.300 -0.075 0.000 0.972 189 R HN 0.596 8.866 8.270 -0.000 0.000 0.493 190 S N -0.947 114.682 115.700 -0.118 0.000 2.560 190 S HA 0.382 4.853 4.470 0.001 0.000 0.283 190 S C -1.401 173.126 174.600 -0.122 0.000 1.141 190 S CA -1.042 57.131 58.200 -0.045 0.000 0.902 190 S CB 0.764 63.955 63.200 -0.015 0.000 1.104 190 S HN 0.048 8.358 8.310 -0.000 0.000 0.454 191 Y N 1.380 121.747 120.300 0.111 0.000 2.528 191 Y HA 0.800 5.350 4.550 0.001 0.000 0.335 191 Y C 0.587 176.602 175.900 0.191 0.000 1.093 191 Y CA -0.331 57.880 58.100 0.186 0.000 1.134 191 Y CB 2.429 41.071 38.460 0.303 0.000 1.253 191 Y HN 1.020 9.300 8.280 -0.000 0.000 0.478 192 S N -0.041 115.862 115.700 0.339 0.000 2.572 192 S HA 0.405 4.875 4.470 0.001 0.000 0.274 192 S C -1.374 173.229 174.600 0.005 0.000 1.150 192 S CA -0.879 57.412 58.200 0.153 0.000 0.944 192 S CB 0.858 64.092 63.200 0.057 0.000 1.071 192 S HN 0.836 9.146 8.310 -0.000 0.000 0.479 193 c N 3.611 122.079 118.600 -0.219 0.000 2.325 193 c HA 0.651 5.222 4.570 0.001 0.000 0.347 193 c C 0.006 173.857 174.090 -0.400 0.000 1.263 193 c CA 0.053 55.982 56.329 -0.666 0.000 1.806 193 c CB -0.193 41.868 42.510 -0.747 0.000 2.405 193 c HN 0.984 9.214 8.230 -0.000 0.000 0.537 194 Q N 5.224 124.778 119.800 -0.410 0.000 2.339 194 Q HA 0.610 4.950 4.340 0.001 0.000 0.268 194 Q C -1.570 174.295 176.000 -0.226 0.000 1.027 194 Q CA -0.413 55.248 55.803 -0.238 0.000 0.759 194 Q CB 1.503 30.149 28.738 -0.153 0.000 1.244 194 Q HN 0.696 8.966 8.270 -0.000 0.000 0.464 195 V N 3.284 123.087 119.914 -0.185 0.000 2.472 195 V HA 0.501 4.621 4.120 0.001 0.000 0.290 195 V C -0.186 175.840 176.094 -0.113 0.000 1.037 195 V CA -0.369 61.830 62.300 -0.168 0.000 0.908 195 V CB 1.931 33.642 31.823 -0.186 0.000 0.985 195 V HN 0.823 9.013 8.190 -0.000 0.000 0.454 196 T N 4.079 118.576 114.554 -0.097 0.000 2.809 196 T HA 0.399 4.750 4.350 0.001 0.000 0.284 196 T C -0.697 173.991 174.700 -0.019 0.000 0.992 196 T CA -0.260 61.807 62.100 -0.055 0.000 0.957 196 T CB 0.220 69.058 68.868 -0.051 0.000 0.942 196 T HN 0.779 9.019 8.240 -0.000 0.000 0.439 197 H N 3.206 122.199 119.070 -0.128 0.000 2.953 197 H HA 0.189 4.746 4.556 0.001 0.000 0.290 197 H C -0.562 174.720 175.328 -0.078 0.000 1.113 197 H CA -0.447 55.520 56.048 -0.136 0.000 1.454 197 H CB 0.416 30.070 29.762 -0.181 0.000 1.525 197 H HN 0.860 9.140 8.280 -0.000 0.000 0.505 198 E N 3.468 123.485 120.200 -0.305 0.000 2.240 198 E HA -0.273 4.077 4.350 0.001 0.000 0.194 198 E C 1.001 177.503 176.600 -0.163 0.000 1.385 198 E CA 0.700 56.935 56.400 -0.274 0.000 0.686 198 E CB -1.263 28.188 29.700 -0.415 0.000 1.125 198 E HN 1.185 9.545 8.360 -0.000 0.000 0.359 199 G N -0.308 108.432 108.800 -0.100 0.000 2.812 199 G HA2 -0.385 3.576 3.960 0.001 0.000 0.219 199 G HA3 -0.385 3.576 3.960 0.001 0.000 0.219 199 G C 0.605 175.476 174.900 -0.049 0.000 1.275 199 G CA 0.162 45.223 45.100 -0.065 0.000 0.769 199 G HN 0.522 8.812 8.290 -0.000 0.000 0.527 200 S N 0.763 116.435 115.700 -0.047 0.000 2.576 200 S HA 0.522 4.993 4.470 0.001 0.000 0.272 200 S C 0.238 174.825 174.600 -0.020 0.000 1.352 200 S CA 1.127 59.315 58.200 -0.021 0.000 1.021 200 S CB 1.074 64.278 63.200 0.007 0.000 0.887 200 S HN 0.726 9.036 8.310 -0.000 0.000 0.542 201 T N 2.177 116.718 114.554 -0.022 0.000 3.201 201 T HA 0.240 4.590 4.350 0.001 0.000 0.338 201 T C -0.588 174.088 174.700 -0.041 0.000 1.095 201 T CA -0.426 61.652 62.100 -0.037 0.000 1.426 201 T CB 0.312 69.157 68.868 -0.039 0.000 0.956 201 T HN 0.319 8.559 8.240 -0.000 0.000 0.551 202 V N 2.871 122.758 119.914 -0.045 0.000 2.614 202 V HA 0.439 4.560 4.120 0.001 0.000 0.291 202 V C 0.447 176.498 176.094 -0.072 0.000 1.049 202 V CA -0.254 62.017 62.300 -0.048 0.000 1.038 202 V CB 1.201 32.998 31.823 -0.043 0.000 0.980 202 V HN 0.775 8.965 8.190 -0.000 0.000 0.481 203 E N 4.355 124.517 120.200 -0.063 0.000 2.292 203 E HA 0.547 4.898 4.350 0.001 0.000 0.272 203 E C -1.458 175.105 176.600 -0.062 0.000 0.881 203 E CA -0.953 55.401 56.400 -0.076 0.000 0.754 203 E CB 1.690 31.351 29.700 -0.065 0.000 1.201 203 E HN 0.489 8.849 8.360 -0.000 0.000 0.425 204 K N 2.038 122.393 120.400 -0.074 0.000 2.385 204 K HA 0.578 4.899 4.320 0.001 0.000 0.248 204 K C -1.020 175.565 176.600 -0.024 0.000 0.955 204 K CA -0.822 55.436 56.287 -0.049 0.000 0.816 204 K CB 2.120 34.585 32.500 -0.058 0.000 1.250 204 K HN 0.593 8.843 8.250 -0.000 0.000 0.434 205 T N 0.182 114.742 114.554 0.010 0.000 2.903 205 T HA 0.609 4.960 4.350 0.001 0.000 0.299 205 T C -0.846 173.907 174.700 0.089 0.000 1.093 205 T CA -0.790 61.345 62.100 0.058 0.000 1.002 205 T CB 1.823 70.719 68.868 0.045 0.000 1.127 205 T HN 0.420 8.660 8.240 -0.000 0.000 0.488 206 V N -0.996 119.017 119.914 0.165 0.000 2.925 206 V HA 1.063 5.183 4.120 0.001 0.000 0.311 206 V C -0.821 175.415 176.094 0.238 0.000 1.104 206 V CA -1.129 61.290 62.300 0.198 0.000 0.954 206 V CB 1.367 33.340 31.823 0.251 0.000 1.022 206 V HN 1.222 9.412 8.190 -0.000 0.000 0.427 207 A N 3.420 126.344 122.820 0.173 0.000 2.469 207 A HA 1.065 5.386 4.320 0.001 0.000 0.299 207 A C -2.612 174.980 177.584 0.012 0.000 1.098 207 A CA -1.536 50.535 52.037 0.056 0.000 0.737 207 A CB 0.912 19.917 19.000 0.009 0.000 1.312 207 A HN 0.888 9.038 8.150 -0.000 0.000 0.414 208 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 208 P CA 0.000 62.969 63.100 -0.218 0.000 0.800 208 P CB 0.000 31.405 31.700 -0.491 0.000 0.726