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 2ku2_1_D DATA FIRST_RESID -3 DATA SEQUENCE GAMGMQQGQM AGGRAITVFS PDGRLFQVEY AREAVKKGST ALGMKFANGV DATA SEQUENCE LLISDKKVRS RLIEQNSIEK IQLIDDYVAA VTSGLVADAR VLVDFARISA DATA SEQUENCE QQEKVTYGSL VNIENLVKRV ADQMQQYTQY GGVRPYGVSL IFAGIDQIGP DATA SEQUENCE RLFDCDPAGT INEYKATAIG SGKDAVVSFL EREYKENLPE KEAVTLGIKA DATA SEQUENCE LKSSLEEGEE LKAPEIASIT VGNKYRIYDQ EEVKKFL 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 -3 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 -3 G C 0.000 174.902 174.900 0.004 0.000 0.946 -3 G CA 0.000 45.102 45.100 0.003 0.000 0.502 -2 A N -0.271 122.552 122.820 0.004 0.000 2.594 -2 A HA 0.291 4.613 4.320 0.004 0.000 0.295 -2 A C -0.775 176.812 177.584 0.005 0.000 1.071 -2 A CA -0.346 51.693 52.037 0.004 0.000 0.685 -2 A CB 1.193 20.195 19.000 0.003 0.000 1.285 -2 A HN 0.143 8.296 8.150 0.004 0.000 0.405 -1 M N -0.779 118.824 119.600 0.006 0.000 2.253 -1 M HA -0.301 4.184 4.480 0.008 0.000 0.199 -1 M C -0.575 175.730 176.300 0.009 0.000 0.342 -1 M CA 0.012 55.317 55.300 0.007 0.000 0.417 -1 M CB -0.651 31.953 32.600 0.006 0.000 1.338 -1 M HN 0.148 8.441 8.290 0.005 0.000 0.920 0 G N -1.105 107.700 108.800 0.008 0.000 2.406 0 G HA2 0.010 3.975 3.960 0.008 0.000 0.251 0 G HA3 0.010 3.975 3.960 0.008 0.000 0.251 0 G C -1.111 173.796 174.900 0.012 0.000 1.271 0 G CA -0.242 44.863 45.100 0.009 0.000 0.859 0 G HN -0.218 8.071 8.290 0.008 0.006 0.540 1 M N 2.548 122.155 119.600 0.012 0.000 2.501 1 M HA 0.176 4.667 4.480 0.017 0.000 0.293 1 M C -0.316 175.992 176.300 0.013 0.000 1.192 1 M CA -0.559 54.751 55.300 0.016 0.000 0.886 1 M CB 3.071 35.682 32.600 0.019 0.000 1.710 1 M HN -0.066 8.231 8.290 0.011 0.000 0.457 2 Q N 1.012 120.820 119.800 0.014 0.000 2.225 2 Q HA 0.104 4.449 4.340 0.008 0.000 0.177 2 Q C -0.183 175.822 176.000 0.009 0.000 1.073 2 Q CA -0.387 55.422 55.803 0.010 0.000 1.134 2 Q CB 0.711 29.455 28.738 0.009 0.000 1.210 2 Q HN 0.098 8.379 8.270 0.017 0.000 0.599 3 Q N -0.574 119.229 119.800 0.004 0.000 2.364 3 Q HA -0.044 4.299 4.340 0.004 0.000 0.267 3 Q C 1.123 177.124 176.000 0.002 0.000 0.999 3 Q CA -0.256 55.548 55.803 0.002 0.000 0.886 3 Q CB 0.394 29.129 28.738 -0.004 0.000 1.243 3 Q HN 0.136 8.408 8.270 0.002 0.000 0.415 4 G N 2.327 111.130 108.800 0.005 0.000 2.408 4 G HA2 -0.150 3.822 3.960 0.020 0.000 0.217 4 G HA3 -0.150 3.820 3.960 0.016 0.000 0.217 4 G C -0.383 174.509 174.900 -0.013 0.000 1.150 4 G CA 0.208 45.314 45.100 0.010 0.000 0.776 4 G HN 0.284 8.577 8.290 0.006 0.000 0.542 5 Q N -0.283 119.504 119.800 -0.021 0.000 2.300 5 Q HA -0.128 4.181 4.340 -0.052 0.000 0.280 5 Q C -1.030 174.930 176.000 -0.067 0.000 1.033 5 Q CA 0.071 55.847 55.803 -0.044 0.000 0.903 5 Q CB 0.441 29.160 28.738 -0.032 0.000 1.195 5 Q HN -0.303 7.947 8.270 -0.012 0.014 0.386 6 M N 3.516 123.045 119.600 -0.119 0.000 2.311 6 M HA 0.128 4.553 4.480 -0.091 0.000 0.325 6 M C -1.527 174.706 176.300 -0.112 0.000 1.061 6 M CA -0.339 54.878 55.300 -0.139 0.000 0.957 6 M CB 0.533 32.964 32.600 -0.282 0.000 1.646 6 M HN 0.034 8.240 8.290 -0.139 0.000 0.434 7 A N 5.270 128.048 122.820 -0.069 0.000 1.621 7 A HA 0.171 4.445 4.320 -0.077 0.000 0.212 7 A C -0.386 177.179 177.584 -0.032 0.000 1.760 7 A CA -0.016 51.986 52.037 -0.059 0.000 1.251 7 A CB 0.672 19.639 19.000 -0.054 0.000 1.168 7 A HN 0.222 8.339 8.150 -0.055 0.000 0.463 8 G N 1.006 109.793 108.800 -0.022 0.000 2.448 8 G HA2 0.128 4.083 3.960 -0.008 0.000 0.309 8 G HA3 0.128 4.082 3.960 -0.010 0.000 0.309 8 G C 0.282 175.186 174.900 0.005 0.000 1.027 8 G CA -0.473 44.621 45.100 -0.009 0.000 1.104 8 G HN -0.042 8.232 8.290 -0.026 0.000 0.428 9 G N 0.885 109.699 108.800 0.024 0.000 2.557 9 G HA2 0.282 4.261 3.960 0.031 0.000 0.292 9 G HA3 0.282 4.281 3.960 0.065 0.000 0.292 9 G C -1.429 173.486 174.900 0.025 0.000 1.237 9 G CA -0.757 44.366 45.100 0.038 0.000 0.978 9 G HN 0.151 8.456 8.290 0.025 0.000 0.498 10 R N -0.727 119.787 120.500 0.023 0.000 5.479 10 R HA -0.002 4.346 4.340 0.013 0.000 0.094 10 R C -0.939 175.367 176.300 0.010 0.000 0.906 10 R CA 0.232 56.340 56.100 0.014 0.000 0.776 10 R CB 0.015 30.321 30.300 0.009 0.000 1.106 10 R HN 0.103 8.389 8.270 0.027 0.000 0.381 11 A N 1.099 123.922 122.820 0.005 0.000 2.407 11 A HA 0.161 4.479 4.320 -0.004 0.000 0.248 11 A C -0.282 177.296 177.584 -0.010 0.000 1.082 11 A CA -0.381 51.654 52.037 -0.003 0.000 0.785 11 A CB 0.570 19.567 19.000 -0.005 0.000 1.020 11 A HN 0.045 8.199 8.150 0.006 0.000 0.489 12 I N 2.427 122.985 120.570 -0.020 0.000 2.388 12 I HA 0.096 4.243 4.170 -0.038 0.000 0.281 12 I C -1.317 174.762 176.117 -0.064 0.000 1.046 12 I CA -0.722 60.557 61.300 -0.036 0.000 1.187 12 I CB -0.250 37.738 38.000 -0.020 0.000 1.351 12 I HN 0.003 8.203 8.210 -0.018 0.000 0.472 13 T N 8.113 122.610 114.554 -0.096 0.000 5.409 13 T HA 0.046 4.283 4.350 -0.189 0.000 0.193 13 T C -2.195 172.423 174.700 -0.137 0.000 0.805 13 T CA 0.381 62.399 62.100 -0.138 0.000 0.400 13 T CB -0.402 68.408 68.868 -0.097 0.000 0.473 13 T HN 0.186 8.372 8.240 -0.090 0.000 0.197 14 V N 0.711 120.533 119.914 -0.153 0.000 2.482 14 V HA 0.166 4.270 4.120 -0.026 0.000 0.295 14 V C -0.716 175.310 176.094 -0.113 0.000 1.026 14 V CA -0.883 61.371 62.300 -0.076 0.000 0.856 14 V CB 1.585 33.405 31.823 -0.006 0.000 1.001 14 V HN -0.516 7.574 8.190 -0.166 0.000 0.424 15 F N 7.676 127.620 119.950 -0.010 0.000 2.459 15 F HA 0.032 4.655 4.527 -0.056 -0.130 0.346 15 F C 0.866 176.675 175.800 0.016 0.000 1.128 15 F CA 0.396 58.381 58.000 -0.025 0.000 1.268 15 F CB 1.074 40.052 39.000 -0.035 0.000 1.161 15 F HN 0.251 8.646 8.300 0.158 0.000 0.583 16 S N 3.265 119.104 115.700 0.232 0.000 2.632 16 S HA 0.275 4.898 4.470 0.256 0.000 0.267 16 S C -0.431 174.273 174.600 0.173 0.000 1.276 16 S CA -1.246 57.095 58.200 0.235 0.000 0.998 16 S CB -0.243 63.126 63.200 0.282 0.000 0.953 16 S HN 0.243 8.663 8.310 0.183 0.000 0.547 17 P HA -0.107 4.357 4.420 0.074 0.000 0.226 17 P C -1.379 175.958 177.300 0.062 0.000 1.146 17 P CA 1.911 65.066 63.100 0.091 0.000 0.773 17 P CB -0.257 31.493 31.700 0.084 0.000 0.772 18 D N -5.811 114.632 120.400 0.072 0.000 2.369 18 D HA -0.058 4.593 4.640 0.019 0.000 0.211 18 D C 0.754 177.051 176.300 -0.005 0.000 1.077 18 D CA -0.506 53.512 54.000 0.030 0.000 0.842 18 D CB -0.711 40.116 40.800 0.045 0.000 0.947 18 D HN -0.448 7.911 8.370 0.106 0.076 0.509 19 G N 1.559 110.366 108.800 0.013 0.000 2.204 19 G HA2 -0.486 3.439 3.960 -0.058 0.000 0.244 19 G HA3 -0.486 3.424 3.960 -0.084 0.000 0.244 19 G C -1.374 173.588 174.900 0.103 0.000 1.062 19 G CA 0.222 45.319 45.100 -0.005 0.000 0.798 19 G HN 0.066 8.223 8.290 0.053 0.165 0.496 20 R N -2.106 118.441 120.500 0.079 0.000 2.771 20 R HA 0.305 4.641 4.340 -0.006 0.000 0.274 20 R C -1.598 174.545 176.300 -0.261 0.000 0.987 20 R CA -1.679 54.346 56.100 -0.125 0.000 0.908 20 R CB 3.520 33.563 30.300 -0.428 0.000 1.213 20 R HN -0.243 8.063 8.270 0.060 0.000 0.468 21 L N 3.139 124.168 121.223 -0.323 0.000 2.315 21 L HA 0.324 4.420 4.340 -0.407 0.000 0.278 21 L C 0.366 176.999 176.870 -0.396 0.000 1.088 21 L CA -2.628 51.980 54.840 -0.386 0.000 0.899 21 L CB -2.282 39.560 42.059 -0.362 0.000 1.277 21 L HN 0.793 8.882 8.230 -0.235 0.000 0.431 22 F N 5.271 125.033 119.950 -0.314 0.000 2.147 22 F HA -0.543 3.667 4.527 -0.527 0.000 0.301 22 F C 1.564 176.835 175.800 -0.881 0.000 1.084 22 F CA 4.966 62.607 58.000 -0.599 0.000 1.268 22 F CB -0.215 38.446 39.000 -0.565 0.000 1.009 22 F HN -0.218 7.914 8.300 -0.280 0.000 0.486 23 Q N -2.030 117.565 119.800 -0.341 0.000 2.084 23 Q HA -0.318 3.906 4.340 -0.193 0.000 0.202 23 Q C 2.639 178.569 176.000 -0.116 0.000 0.978 23 Q CA 3.179 58.861 55.803 -0.202 0.000 0.844 23 Q CB -0.987 27.706 28.738 -0.076 0.000 0.898 23 Q HN -0.050 8.076 8.270 -0.220 0.012 0.426 24 V N 0.896 120.732 119.914 -0.131 0.000 2.427 24 V HA -0.451 3.659 4.120 -0.015 0.000 0.248 24 V C 1.536 177.608 176.094 -0.036 0.000 1.051 24 V CA 3.746 66.008 62.300 -0.062 0.000 1.048 24 V CB -0.246 31.533 31.823 -0.073 0.000 0.666 24 V HN -0.356 7.724 8.190 -0.182 0.000 0.456 25 E N 0.493 120.634 120.200 -0.098 0.000 2.031 25 E HA -0.359 3.997 4.350 0.010 0.000 0.193 25 E C 2.728 179.427 176.600 0.165 0.000 0.994 25 E CA 3.296 59.692 56.400 -0.006 0.000 0.800 25 E CB -0.489 29.181 29.700 -0.050 0.000 0.752 25 E HN -0.276 7.875 8.360 -0.201 0.089 0.447 26 Y N -1.279 119.074 120.300 0.088 0.000 2.193 26 Y HA -0.373 4.221 4.550 0.073 0.000 0.285 26 Y C 2.215 178.141 175.900 0.044 0.000 1.166 26 Y CA 0.604 58.747 58.100 0.071 0.000 1.181 26 Y CB -1.549 36.954 38.460 0.072 0.000 0.976 26 Y HN 0.278 8.477 8.280 -0.134 0.000 0.520 27 A N -1.251 121.680 122.820 0.186 0.000 1.873 27 A HA -0.482 3.902 4.320 0.106 0.000 0.218 27 A C 1.883 179.520 177.584 0.089 0.000 1.193 27 A CA 3.078 55.180 52.037 0.109 0.000 0.629 27 A CB -0.717 18.326 19.000 0.072 0.000 0.826 27 A HN 0.144 8.309 8.150 0.155 0.078 0.447 28 R N -2.685 117.865 120.500 0.083 0.000 2.119 28 R HA -0.468 3.902 4.340 0.050 0.000 0.246 28 R C 2.699 179.039 176.300 0.066 0.000 1.146 28 R CA 3.545 59.684 56.100 0.065 0.000 0.962 28 R CB -0.395 29.942 30.300 0.060 0.000 0.863 28 R HN -0.313 7.933 8.270 0.084 0.075 0.442 29 E N -1.694 118.561 120.200 0.092 0.000 2.070 29 E HA -0.335 4.051 4.350 0.060 0.000 0.197 29 E C 2.025 178.652 176.600 0.046 0.000 1.004 29 E CA 2.833 59.276 56.400 0.071 0.000 0.805 29 E CB -0.729 29.020 29.700 0.082 0.000 0.744 29 E HN -0.448 7.895 8.360 0.128 0.094 0.451 30 A N -2.319 120.531 122.820 0.050 0.000 1.917 30 A HA -0.190 4.144 4.320 0.023 0.000 0.219 30 A C 2.665 180.263 177.584 0.022 0.000 1.182 30 A CA 2.787 54.844 52.037 0.032 0.000 0.633 30 A CB -0.901 18.121 19.000 0.037 0.000 0.819 30 A HN -0.264 7.849 8.150 0.071 0.079 0.448 31 V N -3.404 116.525 119.914 0.025 0.000 2.427 31 V HA -0.453 3.670 4.120 0.006 0.000 0.248 31 V C 1.566 177.663 176.094 0.005 0.000 1.051 31 V CA 3.016 65.322 62.300 0.011 0.000 1.048 31 V CB -0.156 31.673 31.823 0.010 0.000 0.666 31 V HN -0.571 7.526 8.190 0.036 0.114 0.456 32 K N 0.177 120.585 120.400 0.012 0.000 2.152 32 K HA -0.299 4.023 4.320 0.003 0.000 0.206 32 K C 1.868 178.470 176.600 0.003 0.000 1.048 32 K CA 3.405 59.697 56.287 0.008 0.000 0.933 32 K CB -0.221 32.289 32.500 0.017 0.000 0.721 32 K HN -0.367 7.808 8.250 0.022 0.089 0.447 33 K N -4.426 115.977 120.400 0.004 0.000 2.522 33 K HA -0.053 4.266 4.320 -0.001 0.000 0.194 33 K C 0.608 177.205 176.600 -0.005 0.000 1.026 33 K CA -0.064 56.223 56.287 0.000 0.000 1.119 33 K CB -0.326 32.175 32.500 0.001 0.000 0.856 33 K HN -0.769 7.464 8.250 0.009 0.022 0.513 34 G N -0.271 108.525 108.800 -0.008 0.000 2.522 34 G HA2 0.195 4.148 3.960 -0.012 0.000 0.304 34 G HA3 0.195 4.177 3.960 -0.016 -0.031 0.304 34 G C -1.584 173.304 174.900 -0.020 0.000 1.210 34 G CA -1.816 43.275 45.100 -0.014 0.000 0.960 34 G HN -0.361 7.724 8.290 -0.007 0.201 0.497 35 S N -2.001 113.684 115.700 -0.025 0.000 2.572 35 S HA -0.151 4.304 4.470 -0.025 0.000 0.267 35 S C -0.419 174.158 174.600 -0.037 0.000 1.361 35 S CA 0.439 58.621 58.200 -0.030 0.000 1.009 35 S CB 0.554 63.734 63.200 -0.033 0.000 0.888 35 S HN 0.184 8.479 8.310 -0.025 0.000 0.553 36 T N 2.372 116.902 114.554 -0.040 0.000 2.824 36 T HA 0.539 5.033 4.350 -0.050 -0.175 0.280 36 T C -1.988 172.674 174.700 -0.062 0.000 0.995 36 T CA -0.838 61.233 62.100 -0.048 0.000 1.009 36 T CB 1.106 69.950 68.868 -0.040 0.000 0.955 36 T HN 0.239 8.457 8.240 -0.036 0.000 0.452 37 A N 6.820 129.594 122.820 -0.076 0.000 2.606 37 A HA 0.858 5.208 4.320 -0.087 -0.083 0.293 37 A C -3.039 174.482 177.584 -0.105 0.000 1.082 37 A CA -1.267 50.717 52.037 -0.089 0.000 0.685 37 A CB 3.627 22.573 19.000 -0.090 0.000 1.284 37 A HN 1.141 9.141 8.150 -0.077 0.104 0.408 38 L N -5.616 115.540 121.223 -0.111 0.000 2.502 38 L HA 0.774 5.100 4.340 -0.140 -0.070 0.253 38 L C -2.041 174.765 176.870 -0.106 0.000 1.070 38 L CA -1.516 53.249 54.840 -0.124 0.000 0.871 38 L CB 3.647 45.627 42.059 -0.131 0.000 1.487 38 L HN 0.932 9.098 8.230 -0.106 0.000 0.408 39 G N -4.330 104.405 108.800 -0.107 0.000 2.720 39 G HA2 0.839 4.909 3.960 -0.039 0.000 0.295 39 G HA3 0.839 4.775 3.960 -0.041 0.000 0.295 39 G C -3.296 171.568 174.900 -0.060 0.000 1.437 39 G CA 0.284 45.348 45.100 -0.059 0.000 0.886 39 G HN 0.464 8.672 8.290 -0.137 0.000 0.509 40 M N -2.948 116.659 119.600 0.011 0.000 2.414 40 M HA 0.547 5.101 4.480 -0.058 -0.109 0.287 40 M C -2.042 174.348 176.300 0.150 0.000 1.181 40 M CA -0.096 55.220 55.300 0.026 0.000 0.933 40 M CB 4.359 36.979 32.600 0.032 0.000 1.732 40 M HN 0.336 8.659 8.290 0.054 0.000 0.486 41 K N 1.720 122.186 120.400 0.110 0.000 2.295 41 K HA 0.213 4.615 4.320 -0.039 -0.106 0.270 41 K C -0.282 176.455 176.600 0.228 0.000 1.011 41 K CA 1.074 57.403 56.287 0.070 0.000 0.953 41 K CB 0.944 33.461 32.500 0.029 0.000 0.956 41 K HN 0.353 8.634 8.250 0.051 0.000 0.477 42 F N -0.903 119.101 119.950 0.090 0.000 3.231 42 F HA 0.737 5.323 4.527 0.098 0.000 0.338 42 F C 0.695 176.521 175.800 0.043 0.000 1.331 42 F CA -2.634 55.411 58.000 0.075 0.000 1.035 42 F CB 1.168 40.199 39.000 0.053 0.000 1.578 42 F HN 0.197 8.221 8.300 -0.460 0.000 0.500 43 A N 0.980 124.084 122.820 0.472 0.000 1.970 43 A HA -0.406 4.012 4.320 0.164 0.000 0.227 43 A C 0.326 177.912 177.584 0.003 0.000 1.568 43 A CA 2.828 55.017 52.037 0.254 0.000 0.813 43 A CB -0.549 18.694 19.000 0.405 0.000 0.833 43 A HN 0.354 8.947 8.150 0.738 0.000 0.492 44 N N -1.522 117.113 118.700 -0.108 0.000 2.536 44 N HA 0.073 4.724 4.740 -0.148 0.000 0.286 44 N C -1.328 173.976 175.510 -0.343 0.000 1.577 44 N CA -0.814 52.137 53.050 -0.165 0.000 0.883 44 N CB 0.655 39.123 38.487 -0.033 0.000 1.390 44 N HN 0.084 8.452 8.380 -0.020 0.000 0.491 45 G N -1.400 106.908 108.800 -0.820 0.000 2.578 45 G HA2 0.670 4.374 3.960 -0.428 0.000 0.302 45 G HA3 0.670 4.353 3.960 -0.711 -0.149 0.302 45 G C -3.634 170.643 174.900 -1.038 0.000 1.243 45 G CA 0.353 44.974 45.100 -0.798 0.000 0.843 45 G HN -0.926 6.708 8.290 -1.094 0.000 0.486 46 V N -1.397 118.162 119.914 -0.592 0.000 3.087 46 V HA 0.690 4.805 4.120 -0.203 -0.118 0.306 46 V C -3.071 173.131 176.094 0.180 0.000 1.187 46 V CA -2.798 59.392 62.300 -0.183 0.000 0.999 46 V CB 3.429 35.212 31.823 -0.068 0.000 1.049 46 V HN 0.573 8.526 8.190 -0.395 0.000 0.431 47 L N 1.780 123.181 121.223 0.296 0.000 2.371 47 L HA 0.938 5.512 4.340 0.223 -0.100 0.262 47 L C -3.078 173.855 176.870 0.104 0.000 1.006 47 L CA -1.818 53.152 54.840 0.216 0.000 0.818 47 L CB 3.938 46.078 42.059 0.135 0.000 1.354 47 L HN 0.090 8.491 8.230 0.285 0.000 0.415 48 L N 0.591 121.852 121.223 0.064 0.000 2.362 48 L HA 0.785 5.244 4.340 -0.010 -0.125 0.271 48 L C -2.263 174.557 176.870 -0.083 0.000 1.002 48 L CA -1.136 53.706 54.840 0.003 0.000 0.818 48 L CB 4.861 46.943 42.059 0.040 0.000 1.298 48 L HN 0.884 9.161 8.230 0.077 0.000 0.420 49 I N 3.880 124.388 120.570 -0.104 0.000 2.649 49 I HA 0.855 5.135 4.170 -0.144 -0.196 0.289 49 I C -3.104 172.947 176.117 -0.111 0.000 1.222 49 I CA -1.406 59.812 61.300 -0.136 0.000 1.046 49 I CB 4.296 42.188 38.000 -0.181 0.000 1.272 49 I HN 0.994 9.150 8.210 -0.090 0.000 0.425 50 S N 7.464 123.105 115.700 -0.099 0.000 2.542 50 S HA 0.439 4.859 4.470 -0.083 0.000 0.293 50 S C -1.998 172.560 174.600 -0.069 0.000 1.089 50 S CA -1.936 56.215 58.200 -0.082 0.000 0.961 50 S CB 2.660 65.816 63.200 -0.074 0.000 1.062 50 S HN 1.118 9.257 8.310 -0.102 0.109 0.483 51 D N 5.882 126.247 120.400 -0.059 0.000 2.336 51 D HA 0.126 4.739 4.640 -0.046 0.000 0.249 51 D C -1.063 175.216 176.300 -0.036 0.000 1.213 51 D CA -0.394 53.579 54.000 -0.045 0.000 0.870 51 D CB 0.820 41.596 40.800 -0.039 0.000 1.076 51 D HN 0.020 8.353 8.370 -0.060 0.000 0.483 52 K N 7.815 128.196 120.400 -0.031 0.000 2.142 52 K HA -0.008 4.296 4.320 -0.026 0.000 0.250 52 K C -0.957 175.633 176.600 -0.016 0.000 1.148 52 K CA -0.547 55.725 56.287 -0.024 0.000 1.040 52 K CB -0.563 31.925 32.500 -0.020 0.000 1.569 52 K HN -0.170 8.061 8.250 -0.032 0.000 0.361 53 K N 5.272 125.662 120.400 -0.016 0.000 2.316 53 K HA -0.055 4.260 4.320 -0.009 0.000 0.289 53 K C -0.617 175.978 176.600 -0.009 0.000 1.070 53 K CA 0.142 56.422 56.287 -0.011 0.000 0.928 53 K CB 0.286 32.779 32.500 -0.011 0.000 1.039 53 K HN -0.224 8.015 8.250 -0.019 0.000 0.480 54 V N 3.165 123.075 119.914 -0.006 0.000 2.732 54 V HA 0.101 4.218 4.120 -0.005 0.000 0.310 54 V C -1.104 174.989 176.094 -0.003 0.000 1.053 54 V CA -1.002 61.296 62.300 -0.004 0.000 0.957 54 V CB 1.372 33.193 31.823 -0.002 0.000 1.018 54 V HN 0.171 8.359 8.190 -0.005 0.000 0.452 55 R N 4.210 124.709 120.500 -0.002 0.000 1.756 55 R HA 0.131 4.470 4.340 -0.001 0.000 0.130 55 R C -0.385 175.915 176.300 -0.001 0.000 2.102 55 R CA 0.034 56.133 56.100 -0.002 0.000 1.775 55 R CB 0.234 30.533 30.300 -0.002 0.000 1.379 55 R HN 0.148 8.416 8.270 -0.003 0.000 0.484 56 S N -0.751 114.949 115.700 -0.001 0.000 2.576 56 S HA 0.116 4.586 4.470 0.000 0.000 0.272 56 S C 1.727 176.328 174.600 0.000 0.000 1.352 56 S CA -0.239 57.961 58.200 -0.000 0.000 1.021 56 S CB 0.711 63.911 63.200 -0.000 0.000 0.887 56 S HN -0.050 8.259 8.310 -0.001 0.000 0.542 57 R N 1.961 122.462 120.500 0.001 0.000 2.148 57 R HA -0.143 4.198 4.340 0.002 0.000 0.223 57 R C 0.836 177.137 176.300 0.001 0.000 1.088 57 R CA 1.543 57.644 56.100 0.001 0.000 0.985 57 R CB -0.290 30.011 30.300 0.002 0.000 0.880 57 R HN 0.484 8.754 8.270 0.001 0.000 0.451 58 L N -2.864 118.360 121.223 0.001 0.000 2.622 58 L HA -0.074 4.267 4.340 0.001 0.000 0.233 58 L C 0.450 177.321 176.870 0.001 0.000 1.156 58 L CA 0.266 55.107 54.840 0.001 0.000 0.866 58 L CB -0.709 41.351 42.059 0.001 0.000 0.980 58 L HN -0.457 7.729 8.230 0.001 0.045 0.448 59 I N -1.186 119.384 120.570 0.001 0.000 2.662 59 I HA -0.056 4.114 4.170 0.000 0.000 0.291 59 I C 1.165 177.283 176.117 0.001 0.000 1.046 59 I CA -0.838 60.462 61.300 0.000 0.000 1.361 59 I CB 0.184 38.184 38.000 -0.001 0.000 1.429 59 I HN -0.928 7.212 8.210 0.001 0.071 0.558 60 E N 7.087 127.288 120.200 0.001 0.000 2.452 60 E HA 0.076 4.428 4.350 0.002 0.000 0.293 60 E C -0.247 176.354 176.600 0.001 0.000 1.535 60 E CA -1.041 55.360 56.400 0.001 0.000 1.816 60 E CB -1.948 27.753 29.700 0.001 0.000 1.494 60 E HN 0.446 8.806 8.360 0.000 0.000 0.464 61 Q N 0.940 120.741 119.800 0.001 0.000 2.478 61 Q HA -0.681 3.660 4.340 0.001 0.000 0.462 61 Q C 0.693 176.694 176.000 0.001 0.000 0.601 61 Q CA 2.240 58.044 55.803 0.002 0.000 0.953 61 Q CB -1.906 26.835 28.738 0.004 0.000 2.612 61 Q HN -0.205 7.977 8.270 0.001 0.089 1.022 62 N N 1.478 120.180 118.700 0.003 0.000 2.165 62 N HA -0.452 4.289 4.740 0.001 0.000 0.198 62 N C 1.643 177.152 175.510 -0.002 0.000 0.999 62 N CA 2.762 55.813 53.050 0.002 0.000 0.893 62 N CB -0.421 38.069 38.487 0.006 0.000 1.025 62 N HN 0.253 8.636 8.380 0.005 0.000 0.456 63 S N 0.299 115.998 115.700 -0.001 0.000 2.462 63 S HA -0.299 4.169 4.470 -0.003 0.000 0.243 63 S C 1.200 175.796 174.600 -0.006 0.000 1.003 63 S CA 2.830 61.029 58.200 -0.003 0.000 0.970 63 S CB 0.006 63.205 63.200 -0.001 0.000 0.762 63 S HN -0.268 8.006 8.310 0.000 0.036 0.510 64 I N 1.412 121.978 120.570 -0.007 0.000 2.664 64 I HA -0.041 4.123 4.170 -0.010 0.000 0.291 64 I C -2.127 173.981 176.117 -0.015 0.000 1.120 64 I CA -1.474 59.820 61.300 -0.010 0.000 1.503 64 I CB -0.537 37.458 38.000 -0.009 0.000 1.506 64 I HN -0.382 7.779 8.210 -0.005 0.046 0.621 65 E N 3.761 123.951 120.200 -0.017 0.000 2.366 65 E HA -0.151 4.420 4.350 -0.023 -0.236 0.266 65 E C -0.577 176.003 176.600 -0.033 0.000 1.015 65 E CA 0.362 56.748 56.400 -0.024 0.000 0.906 65 E CB 0.108 29.793 29.700 -0.025 0.000 0.979 65 E HN -0.570 7.703 8.360 -0.014 0.078 0.443 66 K N 3.551 123.926 120.400 -0.041 0.000 2.276 66 K HA 0.069 4.360 4.320 -0.048 0.000 0.198 66 K C 0.045 176.604 176.600 -0.068 0.000 1.052 66 K CA 0.744 57.000 56.287 -0.052 0.000 0.984 66 K CB 1.432 33.901 32.500 -0.051 0.000 0.836 66 K HN 0.268 9.032 8.250 -0.039 -0.537 0.490 67 I N -0.149 120.378 120.570 -0.071 0.000 2.325 67 I HA -0.097 4.123 4.170 -0.104 -0.111 0.291 67 I C -0.743 175.316 176.117 -0.097 0.000 1.019 67 I CA 0.055 61.299 61.300 -0.093 0.000 1.302 67 I CB 0.471 38.415 38.000 -0.093 0.000 1.401 67 I HN -0.380 8.157 8.210 -0.061 -0.363 0.485 68 Q N 7.280 127.015 119.800 -0.109 0.000 2.365 68 Q HA 0.382 4.671 4.340 -0.085 0.000 0.269 68 Q C -1.525 174.402 176.000 -0.122 0.000 1.061 68 Q CA -1.876 53.871 55.803 -0.094 0.000 0.816 68 Q CB 4.365 33.067 28.738 -0.060 0.000 1.325 68 Q HN 0.771 8.970 8.270 -0.118 0.000 0.446 69 L N 2.486 123.641 121.223 -0.114 0.000 2.350 69 L HA 0.010 4.228 4.340 -0.204 0.000 0.275 69 L C 0.263 177.108 176.870 -0.041 0.000 1.099 69 L CA 0.373 55.138 54.840 -0.125 0.000 0.808 69 L CB 0.963 42.954 42.059 -0.113 0.000 1.149 69 L HN 0.589 8.766 8.230 -0.088 0.000 0.442 70 I N 0.641 121.207 120.570 -0.007 0.000 3.526 70 I HA -0.004 4.184 4.170 0.030 0.000 0.294 70 I C -0.892 175.247 176.117 0.037 0.000 1.229 70 I CA 1.125 62.446 61.300 0.036 0.000 1.408 70 I CB 1.321 39.370 38.000 0.082 0.000 1.127 70 I HN 0.754 8.848 8.210 -0.021 0.103 0.439 71 D N -2.088 118.346 120.400 0.057 0.000 2.720 71 D HA 0.001 4.688 4.640 0.078 0.000 0.239 71 D C -1.573 174.813 176.300 0.143 0.000 1.218 71 D CA -0.246 53.814 54.000 0.101 0.000 0.748 71 D CB 2.062 42.934 40.800 0.119 0.000 1.387 71 D HN -0.512 7.886 8.370 0.047 0.000 0.438 72 D N 1.177 121.675 120.400 0.163 0.000 2.322 72 D HA -0.319 4.344 4.640 0.037 0.000 0.210 72 D C 0.784 177.100 176.300 0.027 0.000 0.983 72 D CA 3.013 57.058 54.000 0.075 0.000 0.902 72 D CB -0.009 40.788 40.800 -0.005 0.000 0.905 72 D HN 0.477 8.946 8.370 0.166 0.000 0.483 73 Y N -5.004 115.411 120.300 0.193 0.000 2.612 73 Y HA 0.088 4.790 4.550 0.253 0.000 0.250 73 Y C -1.539 174.542 175.900 0.303 0.000 1.175 73 Y CA -0.950 57.284 58.100 0.224 0.000 1.205 73 Y CB 0.350 38.871 38.460 0.101 0.000 1.201 73 Y HN -0.556 8.324 8.280 0.479 -0.313 0.532 74 V N -1.587 118.577 119.914 0.417 0.000 2.852 74 V HA 0.514 5.066 4.120 0.491 -0.138 0.300 74 V C -2.969 173.187 176.094 0.104 0.000 1.205 74 V CA -1.835 60.664 62.300 0.332 0.000 0.940 74 V CB 3.020 34.972 31.823 0.216 0.000 1.047 74 V HN 0.115 8.388 8.190 0.317 0.107 0.429 75 A N 6.911 129.736 122.820 0.009 0.000 2.485 75 A HA 0.926 5.235 4.320 -0.129 -0.066 0.292 75 A C -3.088 174.493 177.584 -0.005 0.000 1.147 75 A CA -1.838 50.089 52.037 -0.184 0.000 0.750 75 A CB 4.408 23.015 19.000 -0.654 0.000 1.331 75 A HN 0.724 8.999 8.150 0.208 0.000 0.419 76 A N -2.502 120.272 122.820 -0.078 0.000 2.594 76 A HA 1.119 5.522 4.320 -0.149 -0.172 0.295 76 A C -2.855 174.618 177.584 -0.185 0.000 1.071 76 A CA -1.100 50.839 52.037 -0.164 0.000 0.685 76 A CB 4.040 22.855 19.000 -0.308 0.000 1.285 76 A HN 0.935 8.910 8.150 -0.116 0.106 0.405 77 V N 0.962 120.746 119.914 -0.218 0.000 2.735 77 V HA 0.835 5.029 4.120 -0.141 -0.159 0.310 77 V C -1.926 174.051 176.094 -0.194 0.000 1.061 77 V CA -2.929 59.271 62.300 -0.167 0.000 0.913 77 V CB 3.346 35.092 31.823 -0.128 0.000 1.005 77 V HN 0.229 8.257 8.190 -0.270 0.000 0.428 78 T N 8.080 122.547 114.554 -0.146 0.000 2.916 78 T HA 0.561 4.928 4.350 -0.162 -0.113 0.292 78 T C -1.548 173.099 174.700 -0.088 0.000 1.064 78 T CA -2.117 59.904 62.100 -0.132 0.000 1.011 78 T CB 1.183 69.980 68.868 -0.119 0.000 1.152 78 T HN -0.077 8.093 8.240 -0.117 0.000 0.510 79 S N 3.427 119.083 115.700 -0.073 0.000 2.566 79 S HA 0.371 4.815 4.470 -0.044 0.000 0.273 79 S C -1.731 172.851 174.600 -0.029 0.000 1.157 79 S CA -0.151 58.019 58.200 -0.049 0.000 0.938 79 S CB 2.213 65.382 63.200 -0.052 0.000 1.087 79 S HN 0.860 9.123 8.310 -0.079 0.000 0.474 80 G N 3.718 112.508 108.800 -0.016 0.000 2.240 80 G HA2 -0.079 3.882 3.960 0.001 0.000 0.199 80 G HA3 -0.079 4.010 3.960 0.004 -0.126 0.199 80 G C -1.959 172.943 174.900 0.003 0.000 1.342 80 G CA -0.315 44.784 45.100 -0.001 0.000 1.145 80 G HN -0.074 8.205 8.290 -0.019 0.000 0.477 81 L N 3.198 124.429 121.223 0.014 0.000 2.565 81 L HA 0.220 4.565 4.340 0.009 0.000 0.275 81 L C 0.876 177.754 176.870 0.014 0.000 1.137 81 L CA -0.800 54.049 54.840 0.015 0.000 0.915 81 L CB -1.694 40.378 42.059 0.021 0.000 1.232 81 L HN 0.362 8.497 8.230 0.021 0.107 0.473 82 V N 9.391 129.309 119.914 0.006 0.000 2.233 82 V HA -0.575 3.544 4.120 -0.001 0.000 0.252 82 V C 0.915 177.018 176.094 0.014 0.000 1.063 82 V CA 4.467 66.770 62.300 0.004 0.000 1.032 82 V CB 0.099 31.922 31.823 0.001 0.000 0.645 82 V HN 0.227 8.419 8.190 0.003 0.000 0.446 83 A N -3.459 119.372 122.820 0.018 0.000 1.892 83 A HA -0.358 3.977 4.320 0.025 0.000 0.218 83 A C 1.790 179.404 177.584 0.049 0.000 1.188 83 A CA 3.388 55.441 52.037 0.027 0.000 0.631 83 A CB -1.222 17.790 19.000 0.020 0.000 0.822 83 A HN 0.174 8.332 8.150 0.014 0.000 0.447 84 D N -0.785 119.652 120.400 0.061 0.000 2.144 84 D HA -0.280 4.462 4.640 0.170 0.000 0.199 84 D C 1.924 178.289 176.300 0.108 0.000 0.984 84 D CA 2.796 56.874 54.000 0.130 0.000 0.834 84 D CB -0.544 40.342 40.800 0.144 0.000 0.955 84 D HN -0.287 8.108 8.370 0.042 0.000 0.465 85 A N 1.230 124.079 122.820 0.049 0.000 1.835 85 A HA -0.356 3.961 4.320 -0.005 0.000 0.215 85 A C 1.426 179.019 177.584 0.015 0.000 1.199 85 A CA 3.186 55.229 52.037 0.010 0.000 0.615 85 A CB -0.443 18.551 19.000 -0.010 0.000 0.838 85 A HN 0.215 8.390 8.150 0.041 0.000 0.444 86 R N -0.965 119.548 120.500 0.021 0.000 2.143 86 R HA -0.397 3.954 4.340 0.017 0.000 0.239 86 R C 1.932 178.260 176.300 0.047 0.000 1.126 86 R CA 3.300 59.416 56.100 0.027 0.000 0.927 86 R CB -0.125 30.190 30.300 0.026 0.000 0.860 86 R HN -0.337 7.945 8.270 0.020 0.000 0.433 87 V N -0.780 119.173 119.914 0.065 0.000 2.324 87 V HA -0.441 3.730 4.120 0.085 0.000 0.250 87 V C 1.468 177.610 176.094 0.079 0.000 1.060 87 V CA 3.815 66.168 62.300 0.088 0.000 1.042 87 V CB -0.017 31.880 31.823 0.123 0.000 0.650 87 V HN -0.600 7.630 8.190 0.066 0.000 0.450 88 L N -1.140 120.095 121.223 0.020 0.000 2.046 88 L HA -0.334 3.918 4.340 -0.145 0.000 0.208 88 L C 1.835 178.760 176.870 0.093 0.000 1.077 88 L CA 3.157 57.964 54.840 -0.054 0.000 0.747 88 L CB -0.379 41.582 42.059 -0.164 0.000 0.896 88 L HN -0.640 7.527 8.230 0.030 0.080 0.432 89 V N 0.308 120.266 119.914 0.073 0.000 2.255 89 V HA -0.657 3.542 4.120 0.131 0.000 0.247 89 V C 1.915 178.071 176.094 0.103 0.000 1.051 89 V CA 5.241 67.596 62.300 0.092 0.000 1.018 89 V CB -0.659 31.187 31.823 0.040 0.000 0.641 89 V HN 0.318 8.453 8.190 0.040 0.079 0.445 90 D N -0.340 120.114 120.400 0.089 0.000 2.149 90 D HA -0.339 4.329 4.640 0.047 0.000 0.198 90 D C 2.143 178.498 176.300 0.092 0.000 0.990 90 D CA 3.790 57.836 54.000 0.076 0.000 0.839 90 D CB -0.298 40.545 40.800 0.072 0.000 0.948 90 D HN -0.118 8.299 8.370 0.079 0.000 0.460 91 F N 0.690 120.636 119.950 -0.006 0.000 2.095 91 F HA -0.466 4.056 4.527 -0.009 0.000 0.298 91 F C 0.872 176.661 175.800 -0.018 0.000 1.104 91 F CA 3.521 61.510 58.000 -0.018 0.000 1.232 91 F CB -0.053 38.917 39.000 -0.050 0.000 0.987 91 F HN -0.281 8.098 8.300 0.256 0.075 0.475 92 A N -0.435 122.411 122.820 0.044 0.000 1.902 92 A HA -0.450 3.754 4.320 -0.193 0.000 0.217 92 A C 1.895 179.408 177.584 -0.120 0.000 1.181 92 A CA 3.178 55.179 52.037 -0.061 0.000 0.623 92 A CB -0.685 18.394 19.000 0.131 0.000 0.818 92 A HN -0.109 8.111 8.150 0.234 0.070 0.443 93 R N -1.384 119.087 120.500 -0.048 0.000 2.097 93 R HA -0.341 3.983 4.340 -0.027 0.000 0.236 93 R C 2.653 178.897 176.300 -0.093 0.000 1.135 93 R CA 3.619 59.692 56.100 -0.045 0.000 0.934 93 R CB 0.086 30.380 30.300 -0.011 0.000 0.846 93 R HN -0.204 7.999 8.270 0.007 0.071 0.431 94 I N -3.443 117.049 120.570 -0.129 0.000 2.315 94 I HA -0.336 3.777 4.170 -0.094 0.000 0.248 94 I C 1.313 177.301 176.117 -0.214 0.000 1.117 94 I CA 3.713 64.927 61.300 -0.143 0.000 1.404 94 I CB -0.292 37.633 38.000 -0.124 0.000 1.071 94 I HN -0.119 8.021 8.210 -0.118 0.000 0.419 95 S N 0.978 116.458 115.700 -0.365 0.000 2.383 95 S HA -0.466 3.774 4.470 -0.384 0.000 0.229 95 S C 2.065 176.533 174.600 -0.219 0.000 1.030 95 S CA 3.559 61.517 58.200 -0.403 0.000 1.002 95 S CB -0.264 62.553 63.200 -0.638 0.000 0.829 95 S HN 0.165 8.043 8.310 -0.446 0.165 0.467 96 A N 1.506 124.224 122.820 -0.171 0.000 1.845 96 A HA -0.407 3.847 4.320 -0.109 0.000 0.215 96 A C 2.006 179.546 177.584 -0.072 0.000 1.195 96 A CA 3.115 55.090 52.037 -0.105 0.000 0.616 96 A CB -0.708 18.251 19.000 -0.069 0.000 0.832 96 A HN 0.307 8.142 8.150 -0.182 0.206 0.443 97 Q N -1.842 117.917 119.800 -0.067 0.000 2.133 97 Q HA -0.442 3.880 4.340 -0.029 0.000 0.208 97 Q C 2.780 178.751 176.000 -0.048 0.000 0.991 97 Q CA 2.678 58.453 55.803 -0.047 0.000 0.867 97 Q CB -0.832 27.880 28.738 -0.045 0.000 0.911 97 Q HN -0.307 7.916 8.270 -0.078 0.000 0.417 98 Q N -0.881 118.876 119.800 -0.071 0.000 2.045 98 Q HA -0.434 3.871 4.340 -0.059 0.000 0.206 98 Q C 2.222 178.203 176.000 -0.031 0.000 0.991 98 Q CA 3.332 59.097 55.803 -0.063 0.000 0.851 98 Q CB -0.353 28.333 28.738 -0.086 0.000 0.911 98 Q HN 0.269 8.481 8.270 -0.097 -0.000 0.418 99 E N -0.610 119.586 120.200 -0.006 0.000 2.110 99 E HA -0.364 4.079 4.350 0.155 0.000 0.193 99 E C 2.199 178.854 176.600 0.093 0.000 0.988 99 E CA 2.900 59.353 56.400 0.088 0.000 0.804 99 E CB -0.274 29.465 29.700 0.065 0.000 0.745 99 E HN -0.657 7.679 8.360 -0.039 0.000 0.458 100 K N -0.658 119.758 120.400 0.026 0.000 2.032 100 K HA -0.330 4.008 4.320 0.030 0.000 0.209 100 K C 2.928 179.533 176.600 0.008 0.000 1.048 100 K CA 3.216 59.514 56.287 0.017 0.000 0.927 100 K CB -0.040 32.457 32.500 -0.004 0.000 0.712 100 K HN -0.607 7.643 8.250 0.000 0.000 0.441 101 V N -1.330 118.575 119.914 -0.016 0.000 2.626 101 V HA -0.256 3.849 4.120 -0.026 0.000 0.252 101 V C 1.521 177.576 176.094 -0.064 0.000 1.067 101 V CA 2.695 64.974 62.300 -0.035 0.000 1.081 101 V CB 0.032 31.831 31.823 -0.040 0.000 0.686 101 V HN 0.046 8.225 8.190 -0.019 0.000 0.468 102 T N -0.562 113.934 114.554 -0.096 0.000 2.953 102 T HA -0.132 4.105 4.350 -0.189 0.000 0.247 102 T C 1.247 175.776 174.700 -0.284 0.000 1.029 102 T CA 2.369 64.329 62.100 -0.232 0.000 1.144 102 T CB 0.699 69.350 68.868 -0.362 0.000 0.870 102 T HN -0.488 7.693 8.240 -0.060 0.022 0.446 103 Y N -1.224 119.054 120.300 -0.037 0.000 2.500 103 Y HA 0.089 4.620 4.550 -0.031 0.000 0.270 103 Y C 0.741 176.619 175.900 -0.036 0.000 1.134 103 Y CA 0.741 58.820 58.100 -0.036 0.000 1.293 103 Y CB 0.695 39.131 38.460 -0.040 0.000 1.063 103 Y HN -0.009 8.309 8.280 0.063 0.000 0.534 104 G N -1.996 106.858 108.800 0.091 0.000 2.199 104 G HA2 -0.417 3.617 3.960 0.016 0.000 0.254 104 G HA3 -0.417 3.563 3.960 0.035 0.000 0.254 104 G C -0.690 174.226 174.900 0.027 0.000 0.982 104 G CA 0.012 45.136 45.100 0.040 0.000 0.632 104 G HN -0.038 8.165 8.290 0.066 0.127 0.529 105 S N -1.335 114.391 115.700 0.044 0.000 2.556 105 S HA 0.068 4.520 4.470 -0.031 0.000 0.280 105 S C -1.656 172.929 174.600 -0.024 0.000 1.141 105 S CA -0.431 57.762 58.200 -0.012 0.000 0.883 105 S CB 1.535 64.713 63.200 -0.038 0.000 1.103 105 S HN -0.412 7.890 8.310 0.106 0.072 0.453 106 L N 8.256 129.447 121.223 -0.054 0.000 2.395 106 L HA 0.184 4.632 4.340 -0.061 -0.144 0.268 106 L C -0.915 175.901 176.870 -0.091 0.000 1.223 106 L CA -1.061 53.739 54.840 -0.067 0.000 1.093 106 L CB -1.415 40.608 42.059 -0.059 0.000 1.349 106 L HN 0.469 8.658 8.230 -0.068 0.000 0.427 107 V N 5.727 125.576 119.914 -0.108 0.000 2.261 107 V HA -0.235 3.828 4.120 -0.095 0.000 0.246 107 V C -1.093 174.944 176.094 -0.094 0.000 1.047 107 V CA 2.276 64.510 62.300 -0.109 0.000 1.015 107 V CB 0.685 32.425 31.823 -0.137 0.000 0.642 107 V HN -0.324 7.866 8.190 -0.121 -0.073 0.446 108 N N -3.366 115.267 118.700 -0.112 0.000 2.483 108 N HA 0.223 5.166 4.740 -0.063 -0.240 0.267 108 N C 0.949 176.384 175.510 -0.125 0.000 0.998 108 N CA -1.943 51.049 53.050 -0.096 0.000 0.918 108 N CB 0.531 38.959 38.487 -0.098 0.000 1.215 108 N HN -0.724 7.573 8.380 -0.139 0.000 0.500 109 I N 6.791 127.297 120.570 -0.106 0.000 2.493 109 I HA -0.385 3.685 4.170 -0.166 0.000 0.254 109 I C 0.197 176.093 176.117 -0.370 0.000 1.160 109 I CA 2.362 63.563 61.300 -0.166 0.000 1.445 109 I CB 0.369 38.339 38.000 -0.050 0.000 1.086 109 I HN 0.084 8.531 8.210 -0.053 -0.268 0.433 110 E N 0.362 120.318 120.200 -0.406 0.000 2.118 110 E HA -0.495 2.933 4.350 -1.536 0.000 0.195 110 E C 1.677 177.998 176.600 -0.465 0.000 0.992 110 E CA 3.666 59.638 56.400 -0.713 0.000 0.804 110 E CB -0.524 29.001 29.700 -0.291 0.000 0.741 110 E HN 0.393 8.914 8.360 -0.206 -0.285 0.458 111 N N -0.420 118.109 118.700 -0.286 0.000 2.120 111 N HA -0.261 4.370 4.740 -0.182 0.000 0.188 111 N C 2.097 177.462 175.510 -0.242 0.000 1.024 111 N CA 2.982 55.903 53.050 -0.214 0.000 0.852 111 N CB 0.098 38.489 38.487 -0.159 0.000 1.003 111 N HN -0.705 7.537 8.380 -0.240 -0.006 0.424 112 L N 0.033 121.083 121.223 -0.288 0.000 2.013 112 L HA -0.289 3.908 4.340 -0.238 0.000 0.212 112 L C 1.352 177.964 176.870 -0.430 0.000 1.073 112 L CA 3.027 57.677 54.840 -0.317 0.000 0.753 112 L CB -0.420 41.443 42.059 -0.325 0.000 0.890 112 L HN -0.760 7.221 8.230 -0.280 0.081 0.432 113 V N -1.062 118.488 119.914 -0.606 0.000 2.343 113 V HA -0.530 3.031 4.120 -0.932 0.000 0.247 113 V C 1.254 177.172 176.094 -0.293 0.000 1.051 113 V CA 3.677 65.578 62.300 -0.665 0.000 1.036 113 V CB -0.313 31.105 31.823 -0.676 0.000 0.654 113 V HN -0.510 7.310 8.190 -0.617 0.000 0.451 114 K N -0.465 119.794 120.400 -0.236 0.000 2.074 114 K HA -0.445 3.837 4.320 -0.063 0.000 0.209 114 K C 2.308 178.879 176.600 -0.048 0.000 1.048 114 K CA 4.243 60.467 56.287 -0.105 0.000 0.926 114 K CB -0.454 31.991 32.500 -0.091 0.000 0.713 114 K HN -0.264 7.800 8.250 -0.311 0.000 0.444 115 R N -1.116 119.350 120.500 -0.056 0.000 2.073 115 R HA -0.297 4.079 4.340 0.060 0.000 0.234 115 R C 2.100 178.498 176.300 0.163 0.000 1.134 115 R CA 3.397 59.525 56.100 0.047 0.000 0.952 115 R CB -0.028 30.285 30.300 0.021 0.000 0.850 115 R HN -0.289 7.909 8.270 -0.119 0.000 0.433 116 V N -0.522 119.474 119.914 0.136 0.000 2.626 116 V HA -0.317 4.050 4.120 0.412 0.000 0.252 116 V C 1.124 177.235 176.094 0.029 0.000 1.067 116 V CA 2.253 64.675 62.300 0.204 0.000 1.081 116 V CB -0.535 31.412 31.823 0.207 0.000 0.686 116 V HN -0.611 7.571 8.190 -0.013 0.000 0.468 117 A N 0.872 123.709 122.820 0.027 0.000 1.873 117 A HA -0.238 4.100 4.320 0.029 0.000 0.215 117 A C 1.813 179.407 177.584 0.016 0.000 1.186 117 A CA 3.094 55.147 52.037 0.027 0.000 0.616 117 A CB -0.470 18.555 19.000 0.042 0.000 0.823 117 A HN 0.516 8.576 8.150 0.006 0.094 0.442 118 D N -1.142 119.277 120.400 0.031 0.000 2.123 118 D HA -0.363 4.314 4.640 0.062 0.000 0.196 118 D C 2.525 178.851 176.300 0.043 0.000 0.992 118 D CA 3.471 57.502 54.000 0.052 0.000 0.833 118 D CB -0.905 39.934 40.800 0.066 0.000 0.954 118 D HN 0.151 8.541 8.370 0.034 0.000 0.455 119 Q N -0.660 119.117 119.800 -0.039 0.000 2.077 119 Q HA -0.344 3.966 4.340 -0.050 0.000 0.206 119 Q C 2.558 178.514 176.000 -0.074 0.000 0.989 119 Q CA 2.992 58.702 55.803 -0.155 0.000 0.853 119 Q CB -0.176 28.197 28.738 -0.608 0.000 0.907 119 Q HN -0.493 7.757 8.270 -0.023 0.006 0.418 120 M N -1.389 118.125 119.600 -0.145 0.000 2.099 120 M HA -0.340 4.087 4.480 -0.088 0.000 0.262 120 M C 2.516 178.890 176.300 0.122 0.000 1.067 120 M CA 3.734 59.000 55.300 -0.056 0.000 1.124 120 M CB -0.151 32.398 32.600 -0.085 0.000 1.353 120 M HN -0.714 7.402 8.290 -0.178 0.067 0.410 121 Q N -0.107 119.754 119.800 0.102 0.000 2.197 121 Q HA -0.343 4.058 4.340 0.103 0.000 0.207 121 Q C 3.042 179.157 176.000 0.191 0.000 0.984 121 Q CA 2.993 58.870 55.803 0.123 0.000 0.869 121 Q CB -0.540 28.255 28.738 0.095 0.000 0.906 121 Q HN 0.035 8.282 8.270 0.059 0.059 0.426 122 Q N -0.351 119.612 119.800 0.273 0.000 2.061 122 Q HA -0.314 4.255 4.340 0.381 0.000 0.204 122 Q C 2.087 178.338 176.000 0.419 0.000 0.984 122 Q CA 3.244 59.278 55.803 0.384 0.000 0.846 122 Q CB -0.016 28.931 28.738 0.349 0.000 0.902 122 Q HN 0.119 8.515 8.270 0.235 0.014 0.421 123 Y N -6.200 114.197 120.300 0.162 0.000 2.639 123 Y HA -0.119 4.509 4.550 0.131 0.000 0.297 123 Y C 0.969 176.902 175.900 0.056 0.000 1.151 123 Y CA 1.189 59.359 58.100 0.117 0.000 1.335 123 Y CB -0.912 37.607 38.460 0.098 0.000 0.994 123 Y HN -0.593 8.187 8.280 0.834 0.000 0.548 124 T N -2.143 112.524 114.554 0.188 0.000 3.023 124 T HA -0.208 4.164 4.350 0.037 0.000 0.266 124 T C -0.149 174.525 174.700 -0.043 0.000 1.093 124 T CA 2.740 64.871 62.100 0.050 0.000 1.129 124 T CB 0.654 69.541 68.868 0.031 0.000 0.899 124 T HN -0.350 7.815 8.240 0.226 0.211 0.491 125 Q N -0.794 118.977 119.800 -0.049 0.000 2.254 125 Q HA 0.079 4.310 4.340 -0.181 0.000 0.259 125 Q C 1.842 177.680 176.000 -0.270 0.000 0.815 125 Q CA 0.576 56.264 55.803 -0.192 0.000 0.961 125 Q CB 1.299 29.880 28.738 -0.262 0.000 1.140 125 Q HN -0.462 7.690 8.270 0.037 0.140 0.502 126 Y N 2.982 123.243 120.300 -0.065 0.000 3.127 126 Y HA -0.252 4.258 4.550 -0.066 0.000 0.387 126 Y C 0.525 176.363 175.900 -0.104 0.000 1.029 126 Y CA 1.313 59.356 58.100 -0.095 0.000 1.905 126 Y CB -2.385 35.991 38.460 -0.140 0.000 2.007 126 Y HN -0.297 8.020 8.280 0.063 0.000 0.435 127 G N 1.220 110.010 108.800 -0.016 0.000 2.614 127 G HA2 -0.434 3.633 3.960 -0.035 0.000 0.303 127 G HA3 -0.434 3.525 3.960 -0.001 0.000 0.303 127 G C 0.212 175.101 174.900 -0.019 0.000 1.270 127 G CA -0.524 44.567 45.100 -0.016 0.000 0.988 127 G HN -0.055 8.098 8.290 -0.080 0.090 0.551 128 G N 0.255 109.044 108.800 -0.018 0.000 2.435 128 G HA2 -0.193 3.755 3.960 -0.020 0.000 0.277 128 G HA3 -0.193 3.752 3.960 -0.025 0.000 0.277 128 G C -1.206 173.667 174.900 -0.045 0.000 0.612 128 G CA 1.298 46.382 45.100 -0.027 0.000 2.058 128 G HN 0.120 8.404 8.290 -0.010 0.000 0.554 129 V N -0.218 119.671 119.914 -0.041 0.000 2.903 129 V HA 0.058 4.160 4.120 -0.030 0.000 0.289 129 V C -2.388 173.717 176.094 0.018 0.000 1.355 129 V CA -1.111 61.166 62.300 -0.039 0.000 0.953 129 V CB 3.404 35.133 31.823 -0.156 0.000 1.102 129 V HN -0.376 7.759 8.190 -0.028 0.039 0.435 130 R N 8.176 128.690 120.500 0.023 0.000 2.316 130 R HA 0.198 4.552 4.340 0.023 0.000 0.314 130 R C -1.718 174.590 176.300 0.012 0.000 1.069 130 R CA -1.894 54.216 56.100 0.015 0.000 0.959 130 R CB 0.389 30.681 30.300 -0.013 0.000 0.987 130 R HN 0.199 8.473 8.270 0.007 0.000 0.446 131 P HA -0.119 4.379 4.420 0.131 0.000 0.269 131 P C -1.178 176.076 177.300 -0.077 0.000 1.211 131 P CA 0.085 63.210 63.100 0.042 0.000 0.781 131 P CB 0.575 32.314 31.700 0.065 0.000 0.877 132 Y N -0.536 119.708 120.300 -0.094 0.000 2.436 132 Y HA -0.118 4.549 4.550 -0.103 -0.179 0.336 132 Y C 1.683 177.552 175.900 -0.052 0.000 1.049 132 Y CA 0.989 59.021 58.100 -0.114 0.000 1.294 132 Y CB 0.216 38.561 38.460 -0.192 0.000 1.179 132 Y HN 0.247 8.633 8.280 0.176 0.000 0.520 133 G N 5.438 114.289 108.800 0.085 0.000 3.343 133 G HA2 0.074 4.071 3.960 0.062 0.000 0.264 133 G HA3 0.074 4.060 3.960 0.044 0.000 0.264 133 G C -2.601 172.333 174.900 0.056 0.000 0.884 133 G CA -0.157 44.980 45.100 0.061 0.000 1.916 133 G HN 0.839 9.489 8.290 0.045 -0.333 0.618 134 V N 0.080 120.028 119.914 0.058 0.000 3.225 134 V HA 0.845 5.122 4.120 0.013 -0.149 0.293 134 V C -3.214 172.884 176.094 0.006 0.000 1.405 134 V CA -2.334 59.980 62.300 0.024 0.000 1.038 134 V CB 2.826 34.661 31.823 0.019 0.000 1.123 134 V HN -0.529 7.660 8.190 0.072 0.044 0.447 135 S N 2.056 117.743 115.700 -0.021 0.000 2.549 135 S HA 0.852 5.431 4.470 -0.021 -0.121 0.280 135 S C -1.921 172.627 174.600 -0.087 0.000 1.109 135 S CA -0.924 57.255 58.200 -0.035 0.000 0.905 135 S CB 3.108 66.295 63.200 -0.022 0.000 1.081 135 S HN 0.248 8.541 8.310 -0.028 0.000 0.477 136 L N -2.958 118.188 121.223 -0.129 0.000 2.600 136 L HA 0.886 5.204 4.340 -0.209 -0.103 0.257 136 L C -2.157 174.538 176.870 -0.291 0.000 1.048 136 L CA -0.888 53.801 54.840 -0.252 0.000 0.869 136 L CB 3.593 45.418 42.059 -0.391 0.000 1.482 136 L HN 0.840 9.019 8.230 -0.084 0.000 0.408 137 I N -6.713 113.645 120.570 -0.353 0.000 2.498 137 I HA 0.792 5.019 4.170 -0.123 -0.130 0.290 137 I C -1.909 174.023 176.117 -0.308 0.000 1.032 137 I CA -1.893 59.268 61.300 -0.232 0.000 1.073 137 I CB 3.326 41.255 38.000 -0.118 0.000 1.251 137 I HN 0.570 8.566 8.210 -0.356 0.000 0.426 138 F N 5.986 126.005 119.950 0.115 0.000 2.436 138 F HA 0.716 5.445 4.527 0.079 -0.154 0.340 138 F C -0.989 174.931 175.800 0.199 0.000 1.113 138 F CA -2.106 55.969 58.000 0.126 0.000 1.022 138 F CB 2.579 41.640 39.000 0.102 0.000 1.128 138 F HN 0.609 8.980 8.300 0.296 0.107 0.466 139 A N 1.501 124.531 122.820 0.349 0.000 2.549 139 A HA 0.990 5.678 4.320 0.329 -0.172 0.297 139 A C -1.429 176.372 177.584 0.362 0.000 1.061 139 A CA -1.230 50.994 52.037 0.312 0.000 0.690 139 A CB 3.866 23.002 19.000 0.227 0.000 1.287 139 A HN 0.528 8.869 8.150 0.318 0.000 0.402 140 G N -0.135 108.834 108.800 0.280 0.000 2.315 140 G HA2 0.249 4.313 3.960 0.173 0.000 0.294 140 G HA3 0.249 4.556 3.960 0.359 -0.132 0.294 140 G C -3.306 171.672 174.900 0.131 0.000 1.300 140 G CA 0.838 46.091 45.100 0.255 0.000 0.843 140 G HN 0.143 8.568 8.290 0.225 0.000 0.527 141 I N 0.997 121.630 120.570 0.105 0.000 2.389 141 I HA 0.865 5.233 4.170 0.059 -0.162 0.288 141 I C -2.378 173.793 176.117 0.090 0.000 0.999 141 I CA -3.263 58.079 61.300 0.070 0.000 1.129 141 I CB 2.236 40.242 38.000 0.011 0.000 1.288 141 I HN -0.402 7.897 8.210 0.147 0.000 0.444 142 D N 8.826 129.261 120.400 0.059 0.000 2.616 142 D HA 0.276 4.921 4.640 0.008 0.000 0.260 142 D C 0.322 176.620 176.300 -0.003 0.000 1.158 142 D CA -1.796 52.217 54.000 0.022 0.000 1.085 142 D CB 1.683 42.495 40.800 0.018 0.000 1.222 142 D HN 0.418 8.737 8.370 0.061 0.088 0.626 143 Q N -0.495 119.288 119.800 -0.028 0.000 2.197 143 Q HA -0.277 4.040 4.340 -0.039 0.000 0.207 143 Q C 1.502 177.491 176.000 -0.017 0.000 0.984 143 Q CA 2.389 58.172 55.803 -0.033 0.000 0.869 143 Q CB -0.240 28.469 28.738 -0.048 0.000 0.906 143 Q HN 0.096 8.343 8.270 -0.039 0.000 0.426 144 I N -3.956 116.611 120.570 -0.005 0.000 2.286 144 I HA -0.234 3.934 4.170 -0.004 0.000 0.245 144 I C 0.393 176.513 176.117 0.005 0.000 1.104 144 I CA 1.147 62.450 61.300 0.004 0.000 1.397 144 I CB 0.781 38.792 38.000 0.020 0.000 1.072 144 I HN -0.114 8.366 8.210 -0.002 -0.271 0.417 145 G N -3.650 105.157 108.800 0.011 0.000 2.332 145 G HA2 -0.062 3.895 3.960 -0.006 0.000 0.265 145 G HA3 -0.062 3.894 3.960 -0.007 0.000 0.265 145 G C -3.473 171.431 174.900 0.007 0.000 1.329 145 G CA -0.130 44.970 45.100 0.000 0.000 0.949 145 G HN -0.456 8.032 8.290 0.020 -0.187 0.476 146 P HA 0.225 4.754 4.420 -0.023 -0.123 0.276 146 P C -1.770 175.536 177.300 0.010 0.000 1.235 146 P CA 0.008 63.087 63.100 -0.036 0.000 0.772 146 P CB 0.279 31.904 31.700 -0.125 0.000 0.871 147 R N 0.465 121.010 120.500 0.075 0.000 2.837 147 R HA 0.445 4.801 4.340 0.026 0.000 0.271 147 R C -1.857 174.531 176.300 0.147 0.000 0.993 147 R CA -1.702 54.476 56.100 0.131 0.000 0.931 147 R CB 4.818 35.335 30.300 0.361 0.000 1.206 147 R HN 0.964 9.184 8.270 0.091 0.105 0.474 148 L N 0.853 122.076 121.223 0.001 0.000 2.562 148 L HA 0.680 5.343 4.340 0.236 -0.181 0.266 148 L C -2.408 174.377 176.870 -0.143 0.000 0.949 148 L CA -0.004 54.870 54.840 0.057 0.000 0.879 148 L CB 3.477 45.540 42.059 0.006 0.000 1.278 148 L HN 0.008 8.075 8.230 -0.271 0.000 0.404 149 F N 5.049 125.123 119.950 0.206 0.000 2.588 149 F HA 1.033 5.934 4.527 0.296 -0.197 0.314 149 F C -1.493 174.447 175.800 0.233 0.000 1.069 149 F CA -2.009 56.144 58.000 0.255 0.000 0.931 149 F CB 4.748 43.893 39.000 0.241 0.000 1.260 149 F HN 1.186 9.700 8.300 0.537 0.108 0.465 150 D N -0.072 120.589 120.400 0.435 0.000 2.527 150 D HA 0.616 5.483 4.640 0.147 -0.139 0.233 150 D C -1.848 174.608 176.300 0.260 0.000 1.063 150 D CA -1.705 52.434 54.000 0.230 0.000 0.880 150 D CB 3.753 44.576 40.800 0.037 0.000 1.457 150 D HN 0.494 9.176 8.370 0.520 0.000 0.475 151 C N 0.672 120.066 119.300 0.156 0.000 2.701 151 C HA 0.932 5.779 4.460 0.169 -0.285 0.336 151 C C -2.058 172.978 174.990 0.075 0.000 1.123 151 C CA -2.357 56.752 59.018 0.153 0.000 1.326 151 C CB 3.286 31.164 27.740 0.230 0.000 1.833 151 C HN 0.725 8.997 8.230 0.069 0.000 0.473 152 D N 6.776 127.219 120.400 0.073 0.000 2.442 152 D HA 0.793 5.452 4.640 0.031 0.000 0.254 152 D C -0.949 175.378 176.300 0.045 0.000 1.069 152 D CA -3.142 50.887 54.000 0.047 0.000 1.017 152 D CB -0.540 40.290 40.800 0.050 0.000 1.172 152 D HN -0.170 8.255 8.370 0.092 0.000 0.561 153 P HA -0.178 4.277 4.420 0.059 0.000 0.218 153 P C -0.647 176.685 177.300 0.054 0.000 1.146 153 P CA 2.082 65.214 63.100 0.053 0.000 0.813 153 P CB 0.099 31.832 31.700 0.055 0.000 0.778 154 A N -7.200 115.646 122.820 0.045 0.000 2.119 154 A HA -0.156 4.185 4.320 0.035 0.000 0.217 154 A C 0.405 178.020 177.584 0.051 0.000 1.153 154 A CA 0.561 52.623 52.037 0.040 0.000 0.692 154 A CB -0.014 19.004 19.000 0.030 0.000 0.799 154 A HN -0.155 8.214 8.150 0.043 -0.193 0.458 155 G N -3.275 105.557 108.800 0.055 0.000 2.134 155 G HA2 -0.373 3.619 3.960 0.052 0.000 0.209 155 G HA3 -0.373 3.622 3.960 0.057 0.000 0.209 155 G C -0.274 174.667 174.900 0.068 0.000 0.993 155 G CA -0.054 45.081 45.100 0.058 0.000 0.669 155 G HN 0.050 8.283 8.290 0.054 0.089 0.519 156 T N 2.657 117.255 114.554 0.073 0.000 2.869 156 T HA 0.020 4.415 4.350 0.075 0.000 0.295 156 T C -1.475 173.296 174.700 0.118 0.000 0.987 156 T CA 0.850 63.001 62.100 0.084 0.000 1.109 156 T CB 1.038 69.952 68.868 0.075 0.000 0.932 156 T HN 0.067 8.599 8.240 0.068 -0.252 0.518 157 I N 5.188 125.836 120.570 0.129 0.000 2.533 157 I HA 0.828 5.390 4.170 0.231 -0.253 0.290 157 I C -2.299 173.935 176.117 0.196 0.000 1.056 157 I CA -2.360 59.055 61.300 0.192 0.000 1.057 157 I CB 3.155 41.259 38.000 0.174 0.000 1.240 157 I HN 0.277 8.549 8.210 0.104 0.000 0.423 158 N N 8.310 127.162 118.700 0.253 0.000 2.329 158 N HA 0.276 5.036 4.740 0.032 0.000 0.282 158 N C -2.705 172.820 175.510 0.025 0.000 1.198 158 N CA -0.721 52.374 53.050 0.075 0.000 0.790 158 N CB 3.902 42.316 38.487 -0.122 0.000 1.579 158 N HN 0.034 8.732 8.380 0.345 -0.110 0.475 159 E N 0.631 120.653 120.200 -0.295 0.000 2.191 159 E HA 0.547 4.686 4.350 -0.660 -0.185 0.278 159 E C -1.102 175.200 176.600 -0.497 0.000 0.972 159 E CA -1.045 55.018 56.400 -0.562 0.000 0.804 159 E CB 2.032 31.281 29.700 -0.752 0.000 1.110 159 E HN 0.185 8.381 8.360 -0.274 0.000 0.394 160 Y N 4.383 124.502 120.300 -0.302 0.000 2.630 160 Y HA 0.131 4.583 4.550 -0.162 0.000 0.337 160 Y C -0.752 175.033 175.900 -0.193 0.000 1.051 160 Y CA -0.404 57.578 58.100 -0.198 0.000 1.121 160 Y CB 2.119 40.484 38.460 -0.158 0.000 1.299 160 Y HN 0.467 8.683 8.280 -0.106 0.000 0.498 161 K N -0.841 119.562 120.400 0.005 0.000 2.276 161 K HA -0.071 4.231 4.320 -0.029 0.000 0.198 161 K C -1.078 175.386 176.600 -0.225 0.000 1.052 161 K CA 0.910 57.153 56.287 -0.073 0.000 0.984 161 K CB 1.017 33.486 32.500 -0.052 0.000 0.836 161 K HN 0.341 8.619 8.250 0.046 0.000 0.490 162 A N -4.951 117.723 122.820 -0.243 0.000 2.594 162 A HA 0.565 4.904 4.320 -0.222 -0.153 0.296 162 A C -1.769 175.680 177.584 -0.224 0.000 1.056 162 A CA -0.266 51.576 52.037 -0.325 0.000 0.693 162 A CB 1.896 20.472 19.000 -0.708 0.000 1.278 162 A HN -0.761 7.342 8.150 -0.079 0.000 0.408 163 T N -0.175 114.216 114.554 -0.272 0.000 2.700 163 T HA 0.276 4.451 4.350 -0.293 0.000 0.307 163 T C -2.595 171.933 174.700 -0.287 0.000 1.580 163 T CA -1.039 60.833 62.100 -0.381 0.000 0.992 163 T CB 2.061 70.360 68.868 -0.948 0.000 1.577 163 T HN 0.755 8.857 8.240 -0.231 0.000 0.496 164 A N 0.523 123.181 122.820 -0.270 0.000 2.583 164 A HA 0.553 4.839 4.320 -0.180 -0.074 0.289 164 A C -3.158 174.323 177.584 -0.172 0.000 1.151 164 A CA -1.186 50.739 52.037 -0.187 0.000 0.695 164 A CB 3.096 22.016 19.000 -0.134 0.000 1.290 164 A HN 0.129 8.092 8.150 -0.312 0.000 0.419 165 I N -1.675 118.819 120.570 -0.127 0.000 2.984 165 I HA 0.258 4.373 4.170 -0.092 0.000 0.303 165 I C -1.734 174.339 176.117 -0.074 0.000 1.381 165 I CA -1.583 59.656 61.300 -0.101 0.000 0.988 165 I CB 4.383 42.315 38.000 -0.113 0.000 1.307 165 I HN 0.746 8.788 8.210 -0.116 0.099 0.460 166 G N 3.943 112.711 108.800 -0.054 0.000 2.378 166 G HA2 -0.320 3.588 3.960 -0.035 0.000 0.198 166 G HA3 -0.320 3.833 3.960 -0.046 -0.220 0.198 166 G C -0.085 174.798 174.900 -0.027 0.000 1.223 166 G CA 0.019 45.094 45.100 -0.040 0.000 1.088 166 G HN -0.410 7.851 8.290 -0.049 0.000 0.530 167 S N 3.504 119.190 115.700 -0.023 0.000 2.363 167 S HA -0.110 4.587 4.470 -0.008 -0.231 0.218 167 S C 2.436 177.030 174.600 -0.011 0.000 1.035 167 S CA 2.491 60.684 58.200 -0.013 0.000 1.043 167 S CB 0.148 63.341 63.200 -0.012 0.000 0.986 167 S HN -0.092 8.096 8.310 -0.026 0.107 0.423 168 G N -0.443 108.349 108.800 -0.014 0.000 3.474 168 G HA2 0.079 4.039 3.960 0.000 0.000 0.269 168 G HA3 0.079 4.035 3.960 -0.006 0.000 0.269 168 G C -0.394 174.498 174.900 -0.013 0.000 1.339 168 G CA -0.773 44.322 45.100 -0.008 0.000 1.258 168 G HN 0.352 8.630 8.290 -0.020 0.000 0.560 169 K N 2.023 122.411 120.400 -0.020 0.000 1.978 169 K HA -0.371 3.921 4.320 -0.046 0.000 0.214 169 K C 1.066 177.659 176.600 -0.012 0.000 1.049 169 K CA 3.792 60.062 56.287 -0.030 0.000 0.939 169 K CB 0.016 32.495 32.500 -0.034 0.000 0.721 169 K HN -0.606 7.536 8.250 -0.018 0.098 0.441 170 D N -1.242 119.159 120.400 0.002 0.000 2.149 170 D HA -0.383 4.267 4.640 0.016 0.000 0.194 170 D C 1.776 178.093 176.300 0.029 0.000 1.001 170 D CA 3.622 57.632 54.000 0.016 0.000 0.849 170 D CB -0.794 40.017 40.800 0.019 0.000 0.939 170 D HN 0.375 8.745 8.370 0.001 0.000 0.449 171 A N -0.107 122.732 122.820 0.031 0.000 1.828 171 A HA -0.165 4.190 4.320 0.058 0.000 0.215 171 A C 2.038 179.671 177.584 0.081 0.000 1.203 171 A CA 2.772 54.841 52.037 0.054 0.000 0.614 171 A CB -0.847 18.182 19.000 0.048 0.000 0.844 171 A HN -0.170 7.981 8.150 0.021 0.011 0.445 172 V N -0.217 119.726 119.914 0.048 0.000 2.332 172 V HA -0.406 3.759 4.120 0.074 0.000 0.248 172 V C 1.650 177.768 176.094 0.040 0.000 1.055 172 V CA 3.399 65.717 62.300 0.031 0.000 1.038 172 V CB 0.127 31.924 31.823 -0.045 0.000 0.651 172 V HN -0.455 7.748 8.190 0.022 0.000 0.450 173 V N -0.968 118.954 119.914 0.014 0.000 2.469 173 V HA -0.441 3.667 4.120 -0.020 0.000 0.251 173 V C 1.491 177.625 176.094 0.065 0.000 1.064 173 V CA 3.442 65.748 62.300 0.010 0.000 1.066 173 V CB -0.641 31.178 31.823 -0.006 0.000 0.667 173 V HN 0.625 8.816 8.190 0.003 0.000 0.461 174 S N 0.489 116.242 115.700 0.088 0.000 2.357 174 S HA -0.263 4.256 4.470 0.082 0.000 0.221 174 S C 1.937 176.638 174.600 0.170 0.000 1.031 174 S CA 3.819 62.080 58.200 0.102 0.000 0.982 174 S CB -0.331 62.914 63.200 0.074 0.000 0.853 174 S HN -0.605 7.648 8.310 0.076 0.103 0.458 175 F N 3.296 123.257 119.950 0.018 0.000 2.065 175 F HA -0.368 4.176 4.527 0.028 0.000 0.298 175 F C 1.067 176.896 175.800 0.048 0.000 1.112 175 F CA 2.734 60.751 58.000 0.028 0.000 1.212 175 F CB -0.058 38.955 39.000 0.022 0.000 0.975 175 F HN -0.298 8.169 8.300 0.279 0.000 0.476 176 L N -1.259 120.212 121.223 0.414 0.000 1.989 176 L HA -0.443 4.125 4.340 0.380 0.000 0.211 176 L C 2.108 179.130 176.870 0.252 0.000 1.071 176 L CA 2.695 57.707 54.840 0.287 0.000 0.749 176 L CB -1.758 40.346 42.059 0.073 0.000 0.890 176 L HN -0.004 8.395 8.230 0.281 0.000 0.431 177 E N -1.457 118.841 120.200 0.162 0.000 2.236 177 E HA -0.350 4.066 4.350 0.110 0.000 0.205 177 E C 1.452 178.131 176.600 0.132 0.000 1.028 177 E CA 2.957 59.431 56.400 0.124 0.000 0.827 177 E CB -0.163 29.591 29.700 0.089 0.000 0.735 177 E HN -0.290 8.046 8.360 0.138 0.106 0.470 178 R N -2.771 117.815 120.500 0.143 0.000 2.102 178 R HA -0.014 4.372 4.340 0.076 0.000 0.208 178 R C 1.488 177.858 176.300 0.117 0.000 1.131 178 R CA 1.705 57.860 56.100 0.092 0.000 1.054 178 R CB 1.381 31.691 30.300 0.016 0.000 0.954 178 R HN -0.636 7.584 8.270 0.175 0.154 0.465 179 E N -2.119 118.193 120.200 0.187 0.000 2.419 179 E HA 0.016 4.437 4.350 0.118 0.000 0.190 179 E C -0.481 176.279 176.600 0.266 0.000 1.040 179 E CA -0.242 56.286 56.400 0.213 0.000 0.900 179 E CB 0.575 30.425 29.700 0.250 0.000 1.054 179 E HN 0.002 8.407 8.360 0.251 0.106 0.462 180 Y N 2.157 122.543 120.300 0.143 0.000 2.402 180 Y HA -0.149 4.465 4.550 0.106 0.000 0.333 180 Y C -0.844 175.104 175.900 0.079 0.000 1.076 180 Y CA 0.878 59.041 58.100 0.104 0.000 1.299 180 Y CB 0.296 38.807 38.460 0.085 0.000 1.197 180 Y HN -0.378 8.045 8.280 0.344 0.063 0.517 181 K N 9.553 129.574 120.400 -0.632 0.000 2.292 181 K HA 0.213 4.336 4.320 -0.328 0.000 0.270 181 K C -0.005 176.126 176.600 -0.780 0.000 1.062 181 K CA -1.671 54.308 56.287 -0.512 0.000 0.916 181 K CB 0.563 32.928 32.500 -0.226 0.000 1.166 181 K HN 0.323 8.265 8.250 -0.513 0.000 0.458 182 E N 6.681 126.543 120.200 -0.564 0.000 2.124 182 E HA -0.471 3.735 4.350 -0.241 0.000 0.244 182 E C 1.003 177.517 176.600 -0.144 0.000 1.019 182 E CA 3.066 59.292 56.400 -0.289 0.000 0.941 182 E CB 0.102 29.754 29.700 -0.080 0.000 0.851 182 E HN 0.630 8.760 8.360 -0.383 0.000 0.537 183 N N -0.796 117.868 118.700 -0.061 0.000 2.597 183 N HA -0.069 4.706 4.740 0.058 0.000 0.269 183 N C -0.607 174.926 175.510 0.038 0.000 1.204 183 N CA -0.373 52.688 53.050 0.017 0.000 0.947 183 N CB -0.507 37.995 38.487 0.024 0.000 1.258 183 N HN -0.002 8.338 8.380 -0.067 0.000 0.508 184 L N 3.708 124.934 121.223 0.004 0.000 2.540 184 L HA -0.056 4.279 4.340 -0.007 0.000 0.276 184 L C -2.296 174.628 176.870 0.090 0.000 1.212 184 L CA -1.259 53.590 54.840 0.015 0.000 0.893 184 L CB 0.515 42.553 42.059 -0.036 0.000 1.138 184 L HN -0.585 7.518 8.230 -0.064 0.089 0.491 185 P HA 0.146 4.648 4.420 0.136 0.000 0.271 185 P C 0.264 177.492 177.300 -0.120 0.000 1.216 185 P CA -0.008 63.116 63.100 0.041 0.000 0.776 185 P CB 0.854 32.570 31.700 0.028 0.000 0.881 186 E N 6.553 126.560 120.200 -0.323 0.000 2.110 186 E HA -0.610 2.844 4.350 -1.494 0.000 0.225 186 E C 1.869 178.275 176.600 -0.324 0.000 1.063 186 E CA 4.902 60.861 56.400 -0.734 0.000 0.906 186 E CB 0.122 29.474 29.700 -0.581 0.000 0.795 186 E HN 0.575 8.863 8.360 -0.120 0.000 0.479 187 K N -2.079 118.274 120.400 -0.079 0.000 2.089 187 K HA -0.404 4.077 4.320 0.268 0.000 0.210 187 K C 2.453 179.119 176.600 0.109 0.000 1.048 187 K CA 3.499 59.861 56.287 0.125 0.000 0.926 187 K CB -0.432 32.156 32.500 0.145 0.000 0.714 187 K HN 0.102 8.316 8.250 -0.060 0.000 0.448 188 E N -1.972 118.238 120.200 0.017 0.000 2.112 188 E HA -0.204 4.184 4.350 0.064 0.000 0.190 188 E C 2.192 178.781 176.600 -0.019 0.000 0.979 188 E CA 2.648 59.061 56.400 0.022 0.000 0.814 188 E CB -0.063 29.643 29.700 0.010 0.000 0.762 188 E HN -0.302 8.040 8.360 -0.016 0.008 0.460 189 A N 1.598 124.361 122.820 -0.094 0.000 1.865 189 A HA -0.274 4.033 4.320 -0.023 0.000 0.217 189 A C 1.678 179.183 177.584 -0.130 0.000 1.191 189 A CA 3.397 55.372 52.037 -0.102 0.000 0.623 189 A CB -0.541 18.341 19.000 -0.196 0.000 0.826 189 A HN 0.320 8.204 8.150 -0.134 0.186 0.444 190 V N -2.750 117.024 119.914 -0.232 0.000 2.490 190 V HA -0.422 3.522 4.120 -0.294 0.000 0.250 190 V C 1.075 177.061 176.094 -0.181 0.000 1.061 190 V CA 4.168 66.279 62.300 -0.315 0.000 1.064 190 V CB -0.444 31.002 31.823 -0.629 0.000 0.670 190 V HN 0.478 8.503 8.190 -0.276 0.000 0.461 191 T N 3.680 118.220 114.554 -0.023 0.000 2.674 191 T HA -0.328 4.095 4.350 0.121 0.000 0.265 191 T C 1.773 176.472 174.700 -0.002 0.000 1.039 191 T CA 5.363 67.506 62.100 0.071 0.000 1.150 191 T CB -0.574 68.374 68.868 0.135 0.000 0.864 191 T HN -0.623 7.517 8.240 0.001 0.100 0.427 192 L N 1.151 122.366 121.223 -0.012 0.000 2.042 192 L HA -0.351 3.992 4.340 0.004 0.000 0.210 192 L C 1.699 178.466 176.870 -0.171 0.000 1.076 192 L CA 3.048 57.867 54.840 -0.035 0.000 0.749 192 L CB -0.736 41.338 42.059 0.025 0.000 0.893 192 L HN 0.377 8.607 8.230 0.000 0.000 0.432 193 G N -1.123 107.593 108.800 -0.140 0.000 2.484 193 G HA2 -0.423 3.411 3.960 -0.210 0.000 0.215 193 G HA3 -0.423 3.443 3.960 -0.157 0.000 0.215 193 G C 0.763 175.535 174.900 -0.214 0.000 1.219 193 G CA 2.063 47.052 45.100 -0.186 0.000 0.791 193 G HN 0.099 8.329 8.290 -0.098 0.001 0.550 194 I N 2.312 122.785 120.570 -0.161 0.000 2.194 194 I HA -0.561 3.533 4.170 -0.127 0.000 0.246 194 I C 1.090 177.138 176.117 -0.115 0.000 1.093 194 I CA 3.253 64.481 61.300 -0.119 0.000 1.355 194 I CB -0.073 37.891 38.000 -0.059 0.000 1.046 194 I HN 0.238 8.356 8.210 -0.153 0.000 0.413 195 K N -0.293 120.031 120.400 -0.126 0.000 2.002 195 K HA -0.431 3.889 4.320 -0.000 0.000 0.209 195 K C 1.816 178.246 176.600 -0.284 0.000 1.048 195 K CA 3.829 60.058 56.287 -0.097 0.000 0.930 195 K CB -0.153 32.344 32.500 -0.006 0.000 0.714 195 K HN 0.058 8.234 8.250 -0.113 0.006 0.438 196 A N -0.518 121.845 122.820 -0.761 0.000 1.908 196 A HA -0.251 2.999 4.320 -1.782 0.000 0.218 196 A C 2.324 179.699 177.584 -0.350 0.000 1.181 196 A CA 2.925 54.319 52.037 -1.073 0.000 0.627 196 A CB -0.609 17.766 19.000 -1.040 0.000 0.818 196 A HN 0.076 7.647 8.150 -0.689 0.166 0.445 197 L N -1.461 119.617 121.223 -0.241 0.000 2.046 197 L HA -0.369 3.903 4.340 -0.112 0.000 0.208 197 L C 1.266 178.098 176.870 -0.064 0.000 1.077 197 L CA 3.076 57.840 54.840 -0.126 0.000 0.747 197 L CB -0.360 41.629 42.059 -0.116 0.000 0.896 197 L HN 0.363 8.315 8.230 -0.272 0.115 0.432 198 K N -0.904 119.465 120.400 -0.051 0.000 1.971 198 K HA -0.450 4.066 4.320 -0.003 -0.198 0.221 198 K C 2.377 178.999 176.600 0.037 0.000 1.050 198 K CA 3.360 59.648 56.287 0.001 0.000 0.967 198 K CB -0.034 32.479 32.500 0.021 0.000 0.733 198 K HN 0.274 8.295 8.250 -0.083 0.179 0.445 199 S N -1.769 113.986 115.700 0.092 0.000 2.412 199 S HA -0.430 4.112 4.470 0.121 0.000 0.246 199 S C 1.531 176.188 174.600 0.094 0.000 1.073 199 S CA 3.342 61.628 58.200 0.143 0.000 1.186 199 S CB -0.735 62.658 63.200 0.322 0.000 1.084 199 S HN -0.187 8.183 8.310 0.100 0.000 0.434 200 S N 2.256 118.006 115.700 0.084 0.000 2.531 200 S HA -0.212 4.297 4.470 0.064 0.000 0.235 200 S C 2.109 176.726 174.600 0.028 0.000 1.061 200 S CA 2.255 60.485 58.200 0.051 0.000 1.250 200 S CB 0.231 63.445 63.200 0.023 0.000 1.183 200 S HN -0.673 7.690 8.310 0.089 0.000 0.413 201 L N -1.131 120.098 121.223 0.011 0.000 2.362 201 L HA -0.084 4.259 4.340 0.005 0.000 0.219 201 L C 1.868 178.744 176.870 0.010 0.000 1.134 201 L CA 1.340 56.183 54.840 0.005 0.000 0.807 201 L CB -0.357 41.697 42.059 -0.008 0.000 0.927 201 L HN -0.597 7.634 8.230 0.002 0.000 0.447 202 E N -1.013 119.198 120.200 0.018 0.000 2.651 202 E HA -0.095 4.263 4.350 0.013 0.000 0.236 202 E C 0.653 177.266 176.600 0.022 0.000 1.422 202 E CA -0.591 55.821 56.400 0.020 0.000 1.534 202 E CB -2.610 27.105 29.700 0.025 0.000 1.381 202 E HN 0.219 8.543 8.360 0.022 0.049 0.435 203 E N 0.456 120.667 120.200 0.018 0.000 2.158 203 E HA -0.108 4.253 4.350 0.019 0.000 0.191 203 E C 0.929 177.537 176.600 0.013 0.000 0.982 203 E CA 1.379 57.788 56.400 0.016 0.000 0.823 203 E CB 0.063 29.771 29.700 0.014 0.000 0.766 203 E HN 0.032 8.290 8.360 0.015 0.112 0.468 204 G N -0.959 107.848 108.800 0.010 0.000 3.379 204 G HA2 -0.007 3.958 3.960 0.008 0.000 0.253 204 G HA3 -0.007 3.957 3.960 0.006 0.000 0.253 204 G C -0.791 174.115 174.900 0.009 0.000 1.262 204 G CA -0.855 44.250 45.100 0.008 0.000 0.959 204 G HN -0.500 7.781 8.290 0.010 0.014 0.524 205 E N -0.785 119.422 120.200 0.012 0.000 4.088 205 E HA -0.625 3.736 4.350 0.017 0.000 0.202 205 E C -1.076 175.532 176.600 0.013 0.000 1.260 205 E CA 2.442 58.850 56.400 0.014 0.000 2.208 205 E CB -1.348 28.359 29.700 0.012 0.000 1.870 205 E HN -0.455 7.742 8.360 0.014 0.172 0.304 206 E N 1.321 121.527 120.200 0.010 0.000 2.415 206 E HA -0.130 4.227 4.350 0.012 0.000 0.260 206 E C 0.518 177.122 176.600 0.008 0.000 1.016 206 E CA 0.394 56.800 56.400 0.010 0.000 0.924 206 E CB 0.209 29.913 29.700 0.008 0.000 0.961 206 E HN -0.222 8.107 8.360 0.009 0.037 0.459 207 L N 7.361 128.589 121.223 0.009 0.000 2.395 207 L HA -0.134 4.373 4.340 0.001 -0.167 0.218 207 L C -0.640 176.231 176.870 0.002 0.000 1.130 207 L CA 1.063 55.905 54.840 0.005 0.000 0.826 207 L CB -0.010 42.054 42.059 0.007 0.000 0.941 207 L HN 0.196 8.433 8.230 0.012 0.000 0.451 208 K N -4.831 115.573 120.400 0.006 0.000 1.792 208 K HA -0.360 3.964 4.320 0.007 0.000 0.412 208 K C -1.339 175.266 176.600 0.007 0.000 1.788 208 K CA 1.281 57.571 56.287 0.005 0.000 0.707 208 K CB -0.625 31.876 32.500 0.000 0.000 1.113 208 K HN -0.343 7.861 8.250 0.008 0.051 0.728 209 A N 1.883 124.706 122.820 0.005 0.000 2.273 209 A HA 0.433 4.763 4.320 0.016 0.000 0.320 209 A C -2.651 174.931 177.584 -0.004 0.000 1.358 209 A CA -2.253 49.789 52.037 0.008 0.000 0.910 209 A CB 0.132 19.139 19.000 0.013 0.000 1.159 209 A HN 0.209 8.360 8.150 0.002 0.000 0.526 210 P HA 0.071 4.556 4.420 -0.038 -0.087 0.274 210 P C -1.698 175.578 177.300 -0.040 0.000 1.237 210 P CA -0.749 62.330 63.100 -0.036 0.000 0.793 210 P CB 0.977 32.645 31.700 -0.053 0.000 0.977 211 E N 1.633 121.799 120.200 -0.057 0.000 2.133 211 E HA 0.337 4.666 4.350 -0.035 0.000 0.274 211 E C -1.927 174.612 176.600 -0.101 0.000 0.930 211 E CA -1.383 54.983 56.400 -0.056 0.000 0.770 211 E CB 2.681 32.353 29.700 -0.046 0.000 1.104 211 E HN 0.687 8.900 8.360 -0.063 0.109 0.403 212 I N 5.441 125.931 120.570 -0.133 0.000 2.769 212 I HA 0.836 5.043 4.170 -0.200 -0.157 0.298 212 I C -2.971 173.022 176.117 -0.207 0.000 1.128 212 I CA -2.245 58.903 61.300 -0.253 0.000 1.031 212 I CB 3.947 41.651 38.000 -0.493 0.000 1.235 212 I HN 0.483 8.643 8.210 -0.083 0.000 0.423 213 A N 5.691 128.426 122.820 -0.142 0.000 2.572 213 A HA 0.796 5.324 4.320 0.196 -0.091 0.295 213 A C -2.607 175.082 177.584 0.175 0.000 1.072 213 A CA -0.921 51.172 52.037 0.094 0.000 0.691 213 A CB 3.954 23.044 19.000 0.150 0.000 1.291 213 A HN 0.949 9.007 8.150 -0.152 0.000 0.404 214 S N -0.622 115.264 115.700 0.310 0.000 2.537 214 S HA 0.776 5.491 4.470 0.213 -0.117 0.270 214 S C -1.784 172.827 174.600 0.018 0.000 1.142 214 S CA -0.686 57.647 58.200 0.222 0.000 0.870 214 S CB 3.473 66.830 63.200 0.262 0.000 1.112 214 S HN 0.895 9.440 8.310 0.392 0.000 0.466 215 I N 1.379 121.778 120.570 -0.285 0.000 2.689 215 I HA 0.374 4.372 4.170 -0.287 0.000 0.299 215 I C -2.579 173.414 176.117 -0.208 0.000 1.059 215 I CA -1.750 59.275 61.300 -0.458 0.000 1.055 215 I CB 4.033 41.361 38.000 -1.120 0.000 1.243 215 I HN 0.663 8.766 8.210 -0.178 0.000 0.425 216 T N 6.876 121.357 114.554 -0.122 0.000 2.876 216 T HA 0.279 4.626 4.350 -0.164 -0.095 0.289 216 T C -0.996 173.665 174.700 -0.065 0.000 1.014 216 T CA -2.070 59.984 62.100 -0.078 0.000 0.986 216 T CB 1.257 70.151 68.868 0.044 0.000 1.021 216 T HN 0.368 8.533 8.240 -0.126 0.000 0.458 217 V N 7.383 127.256 119.914 -0.069 0.000 2.790 217 V HA -0.519 3.599 4.120 -0.003 0.000 0.304 217 V C 0.740 176.842 176.094 0.013 0.000 1.142 217 V CA 2.939 65.226 62.300 -0.021 0.000 1.282 217 V CB 0.441 32.247 31.823 -0.029 0.000 0.877 217 V HN 0.587 8.605 8.190 -0.110 0.107 0.504 218 G N 6.014 114.845 108.800 0.051 0.000 2.254 218 G HA2 -0.237 3.764 3.960 0.068 0.000 0.225 218 G HA3 -0.237 3.748 3.960 0.041 0.000 0.225 218 G C -1.368 173.588 174.900 0.093 0.000 1.003 218 G CA -0.283 44.856 45.100 0.064 0.000 0.622 218 G HN 0.576 8.909 8.290 0.072 0.000 0.507 219 N N -0.789 117.952 118.700 0.067 0.000 3.204 219 N HA 0.214 5.006 4.740 0.087 0.000 0.285 219 N C -1.951 173.462 175.510 -0.162 0.000 1.536 219 N CA -0.945 52.114 53.050 0.016 0.000 0.832 219 N CB 1.583 40.063 38.487 -0.011 0.000 1.645 219 N HN -0.203 8.133 8.380 0.036 0.066 0.586 220 K N -2.467 117.753 120.400 -0.300 0.000 2.102 220 K HA 0.050 3.827 4.320 -0.905 0.000 0.244 220 K C 0.215 176.687 176.600 -0.213 0.000 1.021 220 K CA -0.177 55.816 56.287 -0.489 0.000 0.913 220 K CB 0.988 33.232 32.500 -0.427 0.000 1.062 220 K HN -0.106 8.036 8.250 -0.180 0.000 0.485 221 Y N 0.001 120.175 120.300 -0.210 0.000 2.578 221 Y HA -0.306 4.228 4.550 -0.028 0.000 0.339 221 Y C 0.068 175.951 175.900 -0.028 0.000 1.231 221 Y CA 2.588 60.647 58.100 -0.070 0.000 1.461 221 Y CB 0.688 39.122 38.460 -0.044 0.000 1.323 221 Y HN -0.367 7.886 8.280 -0.046 0.000 0.590 222 R N 4.074 124.719 120.500 0.242 0.000 2.513 222 R HA 0.398 4.812 4.340 0.124 0.000 0.301 222 R C -1.864 174.599 176.300 0.272 0.000 0.968 222 R CA -1.350 54.858 56.100 0.180 0.000 0.872 222 R CB 2.992 33.354 30.300 0.104 0.000 1.177 222 R HN 0.201 8.625 8.270 0.257 0.000 0.444 223 I N 6.625 127.314 120.570 0.199 0.000 2.336 223 I HA 0.016 4.342 4.170 0.261 0.000 0.292 223 I C -0.609 175.653 176.117 0.243 0.000 0.991 223 I CA -0.944 60.483 61.300 0.211 0.000 1.227 223 I CB 1.108 39.172 38.000 0.105 0.000 1.366 223 I HN 0.356 8.646 8.210 0.134 0.000 0.466 224 Y N 8.537 128.848 120.300 0.019 0.000 2.511 224 Y HA -0.168 4.553 4.550 0.028 -0.154 0.332 224 Y C 0.800 176.713 175.900 0.023 0.000 1.177 224 Y CA -0.104 58.006 58.100 0.017 0.000 1.422 224 Y CB 0.323 38.776 38.460 -0.011 0.000 1.271 224 Y HN -0.139 8.417 8.280 0.460 0.000 0.550 225 D N 2.407 122.883 120.400 0.127 0.000 2.313 225 D HA -0.022 4.665 4.640 0.078 0.000 0.247 225 D C 0.693 177.054 176.300 0.102 0.000 1.094 225 D CA -0.727 53.324 54.000 0.085 0.000 0.925 225 D CB 1.632 42.455 40.800 0.039 0.000 1.188 225 D HN -0.115 8.427 8.370 0.057 -0.137 0.430 226 Q N 2.271 122.116 119.800 0.074 0.000 2.124 226 Q HA -0.522 3.860 4.340 0.070 0.000 0.215 226 Q C 1.659 177.707 176.000 0.080 0.000 1.015 226 Q CA 4.155 59.999 55.803 0.068 0.000 0.890 226 Q CB 0.031 28.795 28.738 0.044 0.000 0.966 226 Q HN 0.664 8.969 8.270 0.059 0.000 0.412 227 E N -2.279 117.961 120.200 0.067 0.000 2.047 227 E HA -0.310 4.073 4.350 0.056 0.000 0.191 227 E C 2.136 178.797 176.600 0.100 0.000 0.987 227 E CA 2.653 59.091 56.400 0.063 0.000 0.799 227 E CB -0.652 29.068 29.700 0.035 0.000 0.752 227 E HN 0.036 8.498 8.360 0.054 -0.069 0.449 228 E N -0.365 119.910 120.200 0.125 0.000 2.038 228 E HA -0.340 4.103 4.350 0.155 0.000 0.195 228 E C 2.388 179.246 176.600 0.428 0.000 1.000 228 E CA 2.802 59.330 56.400 0.213 0.000 0.803 228 E CB 0.007 29.781 29.700 0.124 0.000 0.750 228 E HN -0.783 7.776 8.360 0.096 -0.141 0.448 229 V N -0.195 119.940 119.914 0.369 0.000 2.407 229 V HA -0.386 4.007 4.120 0.456 0.000 0.248 229 V C 1.333 177.609 176.094 0.303 0.000 1.055 229 V CA 3.096 65.605 62.300 0.348 0.000 1.049 229 V CB -0.318 31.601 31.823 0.160 0.000 0.662 229 V HN -0.184 8.170 8.190 0.273 0.000 0.455 230 K N -0.473 120.039 120.400 0.188 0.000 2.211 230 K HA -0.342 4.040 4.320 0.104 0.000 0.204 230 K C 2.052 178.715 176.600 0.104 0.000 1.047 230 K CA 3.046 59.404 56.287 0.118 0.000 0.935 230 K CB -0.414 32.129 32.500 0.072 0.000 0.728 230 K HN -0.128 8.155 8.250 0.162 0.064 0.452 231 K N -2.186 118.279 120.400 0.108 0.000 2.097 231 K HA -0.219 4.058 4.320 -0.072 0.000 0.206 231 K C 1.593 178.104 176.600 -0.148 0.000 1.049 231 K CA 2.744 58.990 56.287 -0.069 0.000 0.933 231 K CB 0.292 32.673 32.500 -0.197 0.000 0.717 231 K HN -0.404 7.799 8.250 0.172 0.150 0.442 232 F N -4.908 115.062 119.950 0.033 0.000 2.473 232 F HA -0.090 4.445 4.527 0.015 0.000 0.294 232 F C 0.801 176.604 175.800 0.006 0.000 1.103 232 F CA 1.122 59.133 58.000 0.018 0.000 1.442 232 F CB 0.457 39.467 39.000 0.017 0.000 1.097 232 F HN -0.705 7.790 8.300 0.527 0.121 0.547 233 L N 0.000 121.343 121.223 0.199 0.000 2.949 233 L HA 0.000 4.399 4.340 0.098 0.000 0.249 233 L CA 0.000 54.904 54.840 0.107 0.000 0.813 233 L CB 0.000 42.111 42.059 0.086 0.000 0.961 233 L HN 0.000 8.245 8.230 0.235 0.126 0.502