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 2ku1_1_D DATA FIRST_RESID -3 DATA SEQUENCE GAMGMQQGQM AYDRAITVFS 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 3.961 3.960 0.001 0.000 0.244 -3 G C 0.000 174.901 174.900 0.001 0.000 0.946 -3 G CA 0.000 45.101 45.100 0.001 0.000 0.502 -2 A N -0.495 122.326 122.820 0.001 0.000 1.581 -2 A HA -0.219 4.102 4.320 0.001 0.000 0.205 -2 A C -0.166 177.418 177.584 0.000 0.000 1.265 -2 A CA 0.295 52.332 52.037 0.001 0.000 0.666 -2 A CB 0.209 19.209 19.000 0.001 0.000 1.155 -2 A HN 0.008 8.159 8.150 0.002 0.000 0.200 -1 M N 1.320 120.920 119.600 0.001 0.000 2.159 -1 M HA -0.290 4.190 4.480 0.000 0.000 0.263 -1 M C 1.007 177.307 176.300 -0.000 0.000 1.063 -1 M CA 1.689 56.989 55.300 0.000 0.000 1.110 -1 M CB 0.306 32.907 32.600 0.000 0.000 1.374 -1 M HN 0.113 8.404 8.290 0.001 0.000 0.411 0 G N -3.717 105.083 108.800 -0.001 0.000 4.470 0 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.220 0 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.220 0 G C -1.266 173.633 174.900 -0.002 0.000 0.780 0 G CA -0.440 44.659 45.100 -0.001 0.000 0.977 0 G HN -0.338 7.952 8.290 -0.000 0.000 0.749 1 M N 2.492 122.091 119.600 -0.001 0.000 2.084 1 M HA 0.167 4.645 4.480 -0.003 0.000 0.351 1 M C -1.400 174.898 176.300 -0.002 0.000 1.240 1 M CA 0.496 55.795 55.300 -0.002 0.000 1.083 1 M CB -0.018 32.581 32.600 -0.000 0.000 1.593 1 M HN -0.392 7.897 8.290 -0.001 0.000 0.463 2 Q N 2.683 122.481 119.800 -0.004 0.000 1.671 2 Q HA 0.105 4.442 4.340 -0.005 0.000 0.177 2 Q C 0.705 176.700 176.000 -0.008 0.000 0.680 2 Q CA -0.196 55.604 55.803 -0.005 0.000 0.748 2 Q CB 0.313 29.048 28.738 -0.004 0.000 1.198 2 Q HN 0.516 8.783 8.270 -0.005 0.000 0.387 3 Q N 1.799 121.594 119.800 -0.008 0.000 2.046 3 Q HA -0.103 4.230 4.340 -0.011 0.000 0.200 3 Q C 0.611 176.602 176.000 -0.015 0.000 0.975 3 Q CA 0.851 56.647 55.803 -0.011 0.000 0.836 3 Q CB 0.111 28.843 28.738 -0.010 0.000 0.896 3 Q HN 0.437 8.703 8.270 -0.007 0.000 0.428 4 G N -0.591 108.201 108.800 -0.014 0.000 2.432 4 G HA2 0.048 3.993 3.960 -0.024 0.000 0.257 4 G HA3 0.048 3.998 3.960 -0.017 0.000 0.257 4 G C -1.673 173.214 174.900 -0.022 0.000 1.238 4 G CA -0.418 44.670 45.100 -0.020 0.000 0.838 4 G HN -0.325 7.958 8.290 -0.011 0.000 0.547 5 Q N 0.594 120.373 119.800 -0.035 0.000 2.423 5 Q HA 0.158 4.482 4.340 -0.026 0.000 0.278 5 Q C -0.571 175.390 176.000 -0.065 0.000 1.097 5 Q CA -0.872 54.907 55.803 -0.040 0.000 0.809 5 Q CB 3.123 31.835 28.738 -0.043 0.000 1.391 5 Q HN 0.030 8.275 8.270 -0.042 0.000 0.428 6 M N 2.625 122.191 119.600 -0.056 0.000 2.243 6 M HA 0.390 4.778 4.480 -0.152 0.000 0.324 6 M C -1.502 174.728 176.300 -0.117 0.000 1.031 6 M CA -0.223 55.027 55.300 -0.084 0.000 0.949 6 M CB 0.953 33.565 32.600 0.020 0.000 1.615 6 M HN 0.249 8.520 8.290 -0.032 0.000 0.430 7 A N 3.778 126.398 122.820 -0.333 0.000 2.594 7 A HA 0.171 4.467 4.320 -0.039 0.000 0.296 7 A C -2.000 175.223 177.584 -0.601 0.000 1.056 7 A CA -0.409 51.475 52.037 -0.255 0.000 0.693 7 A CB 1.610 20.527 19.000 -0.138 0.000 1.278 7 A HN 0.089 7.895 8.150 -0.574 0.000 0.408 8 Y N -0.006 120.295 120.300 0.001 0.000 2.457 8 Y HA 0.232 4.783 4.550 0.002 0.000 0.343 8 Y C -0.857 175.045 175.900 0.002 0.000 0.994 8 Y CA -0.538 57.563 58.100 0.002 0.000 1.031 8 Y CB 1.775 40.235 38.460 0.001 0.000 1.246 8 Y HN 0.191 8.559 8.280 0.147 0.000 0.449 9 D N 1.979 122.456 120.400 0.130 0.000 2.989 9 D HA 0.216 4.904 4.640 0.080 0.000 0.284 9 D C -0.829 175.514 176.300 0.071 0.000 1.212 9 D CA -1.143 52.904 54.000 0.078 0.000 1.055 9 D CB 1.173 41.996 40.800 0.038 0.000 1.351 9 D HN -0.031 8.413 8.370 0.124 0.000 0.611 10 R N -1.428 119.100 120.500 0.046 0.000 2.795 10 R HA 0.275 4.639 4.340 0.040 0.000 0.275 10 R C -1.290 175.027 176.300 0.029 0.000 0.981 10 R CA -0.307 55.814 56.100 0.035 0.000 0.917 10 R CB 2.574 32.888 30.300 0.023 0.000 1.202 10 R HN 0.170 8.463 8.270 0.039 0.000 0.469 11 A N 0.311 123.146 122.820 0.024 0.000 2.733 11 A HA 0.083 4.419 4.320 0.028 0.000 0.232 11 A C -0.584 177.005 177.584 0.009 0.000 1.251 11 A CA 0.611 52.663 52.037 0.026 0.000 1.015 11 A CB 0.434 19.459 19.000 0.041 0.000 1.291 11 A HN 0.350 8.513 8.150 0.022 0.000 0.595 12 I N -1.740 118.826 120.570 -0.008 0.000 2.499 12 I HA -0.033 4.114 4.170 -0.037 0.000 0.243 12 I C 0.600 176.663 176.117 -0.090 0.000 1.085 12 I CA 1.585 62.863 61.300 -0.036 0.000 1.422 12 I CB 0.447 38.437 38.000 -0.016 0.000 1.165 12 I HN -0.480 7.730 8.210 -0.001 0.000 0.440 13 T N 2.540 117.046 114.554 -0.081 0.000 3.624 13 T HA -0.032 4.210 4.350 -0.180 0.000 0.231 13 T C -1.014 173.616 174.700 -0.117 0.000 0.865 13 T CA -0.780 61.246 62.100 -0.124 0.000 0.926 13 T CB -1.342 67.473 68.868 -0.087 0.000 1.189 13 T HN -0.027 8.184 8.240 -0.048 0.000 0.640 14 V N 2.933 122.769 119.914 -0.130 0.000 2.447 14 V HA 0.132 4.252 4.120 0.000 0.000 0.292 14 V C -1.025 175.024 176.094 -0.076 0.000 1.021 14 V CA -0.964 61.306 62.300 -0.050 0.000 0.850 14 V CB 1.988 33.818 31.823 0.011 0.000 1.005 14 V HN -0.670 7.317 8.190 -0.146 0.116 0.426 15 F N 8.306 128.253 119.950 -0.006 0.000 2.459 15 F HA 0.034 4.661 4.527 -0.053 -0.132 0.346 15 F C 0.851 176.662 175.800 0.019 0.000 1.128 15 F CA 0.778 58.764 58.000 -0.022 0.000 1.268 15 F CB 1.110 40.090 39.000 -0.033 0.000 1.161 15 F HN 0.174 8.589 8.300 0.192 0.000 0.583 16 S N 3.111 118.950 115.700 0.232 0.000 2.632 16 S HA 0.281 4.906 4.470 0.258 0.000 0.267 16 S C -0.435 174.269 174.600 0.174 0.000 1.276 16 S CA -1.284 57.057 58.200 0.236 0.000 0.998 16 S CB -0.249 63.120 63.200 0.282 0.000 0.953 16 S HN 0.228 8.645 8.310 0.178 0.000 0.547 17 P HA -0.107 4.358 4.420 0.074 0.000 0.226 17 P C -1.379 175.959 177.300 0.063 0.000 1.146 17 P CA 1.911 65.066 63.100 0.091 0.000 0.773 17 P CB -0.259 31.491 31.700 0.085 0.000 0.772 18 D N -5.802 114.642 120.400 0.074 0.000 2.369 18 D HA -0.058 4.595 4.640 0.022 0.000 0.211 18 D C 0.754 177.054 176.300 0.001 0.000 1.077 18 D CA -0.505 53.515 54.000 0.034 0.000 0.842 18 D CB -0.710 40.119 40.800 0.047 0.000 0.947 18 D HN -0.447 7.912 8.370 0.108 0.076 0.509 19 G N 1.560 110.373 108.800 0.022 0.000 2.204 19 G HA2 -0.486 3.461 3.960 -0.023 0.000 0.244 19 G HA3 -0.486 3.436 3.960 -0.064 0.000 0.244 19 G C -1.374 173.600 174.900 0.125 0.000 1.062 19 G CA 0.222 45.333 45.100 0.017 0.000 0.798 19 G HN 0.066 8.226 8.290 0.059 0.165 0.496 20 R N -2.106 118.443 120.500 0.082 0.000 2.771 20 R HA 0.305 4.636 4.340 -0.014 0.000 0.274 20 R C -1.598 174.534 176.300 -0.280 0.000 0.987 20 R CA -1.679 54.342 56.100 -0.133 0.000 0.908 20 R CB 3.520 33.561 30.300 -0.431 0.000 1.213 20 R HN -0.243 8.063 8.270 0.061 0.000 0.468 21 L N 3.076 124.093 121.223 -0.344 0.000 2.315 21 L HA 0.318 4.408 4.340 -0.417 0.000 0.278 21 L C 0.323 176.953 176.870 -0.401 0.000 1.088 21 L CA -2.624 51.976 54.840 -0.401 0.000 0.899 21 L CB -2.302 39.529 42.059 -0.379 0.000 1.277 21 L HN 0.796 8.873 8.230 -0.255 0.000 0.431 22 F N 5.305 125.065 119.950 -0.316 0.000 2.147 22 F HA -0.534 3.677 4.527 -0.528 0.000 0.301 22 F C 1.595 176.867 175.800 -0.880 0.000 1.084 22 F CA 4.937 62.577 58.000 -0.599 0.000 1.268 22 F CB -0.265 38.397 39.000 -0.564 0.000 1.009 22 F HN -0.139 7.993 8.300 -0.281 0.000 0.486 23 Q N -1.767 117.829 119.800 -0.339 0.000 2.084 23 Q HA -0.328 3.898 4.340 -0.189 0.000 0.202 23 Q C 2.655 178.587 176.000 -0.114 0.000 0.978 23 Q CA 3.178 58.862 55.803 -0.199 0.000 0.844 23 Q CB -1.003 27.692 28.738 -0.071 0.000 0.898 23 Q HN 0.058 8.185 8.270 -0.217 0.012 0.426 24 V N 0.896 120.732 119.914 -0.131 0.000 2.427 24 V HA -0.476 3.634 4.120 -0.015 0.000 0.248 24 V C 1.285 177.357 176.094 -0.037 0.000 1.051 24 V CA 3.812 66.074 62.300 -0.063 0.000 1.048 24 V CB -0.020 31.758 31.823 -0.076 0.000 0.666 24 V HN -0.377 7.703 8.190 -0.183 0.000 0.456 25 E N 0.317 120.457 120.200 -0.099 0.000 2.031 25 E HA -0.372 3.983 4.350 0.009 0.000 0.193 25 E C 2.773 179.472 176.600 0.165 0.000 0.994 25 E CA 3.282 59.678 56.400 -0.007 0.000 0.800 25 E CB -0.527 29.142 29.700 -0.051 0.000 0.752 25 E HN -0.332 7.817 8.360 -0.203 0.089 0.447 26 Y N -1.279 119.075 120.300 0.089 0.000 2.193 26 Y HA -0.373 4.222 4.550 0.075 0.000 0.285 26 Y C 2.215 178.142 175.900 0.045 0.000 1.166 26 Y CA 0.604 58.748 58.100 0.073 0.000 1.181 26 Y CB -1.549 36.955 38.460 0.074 0.000 0.976 26 Y HN 0.278 8.478 8.280 -0.134 0.000 0.520 27 A N -1.251 121.681 122.820 0.187 0.000 1.873 27 A HA -0.482 3.903 4.320 0.108 0.000 0.218 27 A C 1.883 179.521 177.584 0.090 0.000 1.193 27 A CA 3.078 55.181 52.037 0.111 0.000 0.629 27 A CB -0.717 18.327 19.000 0.074 0.000 0.826 27 A HN 0.144 8.310 8.150 0.157 0.078 0.447 28 R N -2.685 117.865 120.500 0.084 0.000 2.119 28 R HA -0.468 3.902 4.340 0.051 0.000 0.246 28 R C 2.699 179.039 176.300 0.067 0.000 1.146 28 R CA 3.545 59.684 56.100 0.066 0.000 0.962 28 R CB -0.395 29.942 30.300 0.061 0.000 0.863 28 R HN -0.313 7.933 8.270 0.084 0.075 0.442 29 E N -1.694 118.562 120.200 0.093 0.000 2.070 29 E HA -0.335 4.051 4.350 0.061 0.000 0.197 29 E C 2.025 178.653 176.600 0.047 0.000 1.004 29 E CA 2.833 59.277 56.400 0.072 0.000 0.805 29 E CB -0.729 29.021 29.700 0.083 0.000 0.744 29 E HN -0.448 7.895 8.360 0.129 0.094 0.451 30 A N -2.251 120.600 122.820 0.052 0.000 1.917 30 A HA -0.188 4.147 4.320 0.025 0.000 0.219 30 A C 2.683 180.281 177.584 0.024 0.000 1.182 30 A CA 2.799 54.856 52.037 0.034 0.000 0.633 30 A CB -0.937 18.086 19.000 0.038 0.000 0.819 30 A HN -0.262 7.852 8.150 0.072 0.079 0.448 31 V N -3.518 116.412 119.914 0.026 0.000 2.427 31 V HA -0.454 3.670 4.120 0.007 0.000 0.248 31 V C 1.551 177.648 176.094 0.006 0.000 1.051 31 V CA 2.938 65.246 62.300 0.012 0.000 1.048 31 V CB -0.242 31.587 31.823 0.011 0.000 0.666 31 V HN -0.554 7.544 8.190 0.037 0.114 0.456 32 K N 0.203 120.611 120.400 0.013 0.000 2.152 32 K HA -0.293 4.029 4.320 0.003 0.000 0.206 32 K C 1.870 178.472 176.600 0.004 0.000 1.048 32 K CA 3.419 59.712 56.287 0.009 0.000 0.933 32 K CB -0.225 32.286 32.500 0.018 0.000 0.721 32 K HN -0.359 7.816 8.250 0.023 0.089 0.447 33 K N -4.426 115.977 120.400 0.005 0.000 2.522 33 K HA -0.053 4.267 4.320 0.000 0.000 0.194 33 K C 0.608 177.206 176.600 -0.004 0.000 1.026 33 K CA -0.064 56.223 56.287 0.001 0.000 1.119 33 K CB -0.326 32.175 32.500 0.002 0.000 0.856 33 K HN -0.769 7.465 8.250 0.010 0.022 0.513 34 G N -0.271 108.525 108.800 -0.007 0.000 2.522 34 G HA2 0.195 4.148 3.960 -0.011 0.000 0.304 34 G HA3 0.195 4.177 3.960 -0.015 -0.031 0.304 34 G C -1.584 173.304 174.900 -0.019 0.000 1.210 34 G CA -1.816 43.276 45.100 -0.013 0.000 0.960 34 G HN -0.361 7.725 8.290 -0.006 0.201 0.497 35 S N -2.106 113.580 115.700 -0.024 0.000 2.572 35 S HA -0.156 4.299 4.470 -0.024 0.000 0.267 35 S C -0.355 174.223 174.600 -0.037 0.000 1.361 35 S CA 0.527 58.710 58.200 -0.029 0.000 1.009 35 S CB 0.538 63.718 63.200 -0.033 0.000 0.888 35 S HN 0.190 8.486 8.310 -0.024 0.000 0.553 36 T N 2.093 116.623 114.554 -0.039 0.000 2.824 36 T HA 0.499 4.994 4.350 -0.050 -0.175 0.280 36 T C -1.969 172.694 174.700 -0.062 0.000 0.995 36 T CA -0.560 61.511 62.100 -0.048 0.000 1.009 36 T CB 1.151 69.995 68.868 -0.040 0.000 0.955 36 T HN 0.218 8.437 8.240 -0.036 0.000 0.452 37 A N 6.921 129.696 122.820 -0.076 0.000 2.606 37 A HA 0.801 5.152 4.320 -0.087 -0.083 0.293 37 A C -3.070 174.451 177.584 -0.105 0.000 1.082 37 A CA -1.125 50.859 52.037 -0.089 0.000 0.685 37 A CB 3.387 22.333 19.000 -0.089 0.000 1.284 37 A HN 1.152 9.153 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 -2.041 174.766 176.870 -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 9.099 8.230 -0.106 0.000 0.408 39 G N -4.330 104.406 108.800 -0.107 0.000 2.720 39 G HA2 0.839 4.910 3.960 -0.038 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 -0.057 -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 0.027 0.000 0.933 40 M CB 4.359 36.979 32.600 0.033 0.000 1.732 40 M HN 0.336 8.659 8.290 0.055 0.000 0.486 41 K N 1.720 122.186 120.400 0.111 0.000 2.295 41 K HA 0.213 4.616 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 57.404 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 -1.393 106.915 108.800 -0.820 0.000 2.578 45 G HA2 0.674 4.377 3.960 -0.428 0.000 0.302 45 G HA3 0.674 4.356 3.960 -0.711 -0.149 0.302 45 G C -3.633 170.644 174.900 -1.038 0.000 1.243 45 G CA 0.355 44.977 45.100 -0.797 0.000 0.843 45 G HN -0.927 6.707 8.290 -1.093 0.000 0.486 46 V N -1.397 118.162 119.914 -0.592 0.000 3.087 46 V HA 0.687 4.803 4.120 -0.203 -0.118 0.306 46 V C -3.061 173.141 176.094 0.180 0.000 1.187 46 V CA -2.787 59.404 62.300 -0.182 0.000 0.999 46 V CB 3.429 35.211 31.823 -0.068 0.000 1.049 46 V HN 0.569 8.522 8.190 -0.395 0.000 0.431 47 L N 1.809 123.210 121.223 0.297 0.000 2.371 47 L HA 0.940 5.514 4.340 0.223 -0.100 0.262 47 L C -3.081 173.852 176.870 0.104 0.000 1.006 47 L CA -1.830 53.140 54.840 0.217 0.000 0.818 47 L CB 3.970 46.110 42.059 0.135 0.000 1.354 47 L HN 0.088 8.489 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 5.245 4.340 -0.009 -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 0.004 0.000 0.818 48 L CB 4.861 46.944 42.059 0.040 0.000 1.298 48 L HN 0.884 9.161 8.230 0.078 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 -0.110 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 -0.180 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 -0.081 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 -0.045 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 41.597 40.800 -0.039 0.000 1.076 51 D HN 0.020 8.354 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 4.297 4.320 -0.025 0.000 0.250 52 K C -0.957 175.634 176.600 -0.016 0.000 1.148 52 K CA -0.547 55.726 56.287 -0.023 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 -0.031 0.000 0.361 53 K N 5.567 125.957 120.400 -0.016 0.000 2.316 53 K HA -0.076 4.239 4.320 -0.009 0.000 0.289 53 K C -0.812 175.783 176.600 -0.008 0.000 1.070 53 K CA 0.189 56.469 56.287 -0.011 0.000 0.928 53 K CB 0.287 32.780 32.500 -0.011 0.000 1.039 53 K HN -0.276 7.962 8.250 -0.019 0.000 0.480 54 V N 3.941 123.852 119.914 -0.005 0.000 2.732 54 V HA 0.081 4.199 4.120 -0.005 0.000 0.310 54 V C -0.957 175.136 176.094 -0.002 0.000 1.053 54 V CA -0.909 61.389 62.300 -0.004 0.000 0.957 54 V CB 1.789 33.611 31.823 -0.002 0.000 1.018 54 V HN 0.160 8.347 8.190 -0.004 0.000 0.452 55 R N 4.586 125.084 120.500 -0.002 0.000 1.756 55 R HA 0.171 4.511 4.340 -0.001 0.000 0.130 55 R C -0.354 175.946 176.300 -0.000 0.000 2.102 55 R CA 0.105 56.204 56.100 -0.001 0.000 1.775 55 R CB 0.271 30.570 30.300 -0.002 0.000 1.379 55 R HN 0.096 8.364 8.270 -0.002 0.000 0.484 56 S N -0.751 114.949 115.700 -0.000 0.000 2.576 56 S HA 0.116 4.586 4.470 0.001 0.000 0.272 56 S C 1.727 176.328 174.600 0.001 0.000 1.352 56 S CA -0.239 57.962 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 0.002 0.000 1.088 57 R CA 1.543 57.644 56.100 0.002 0.000 0.985 57 R CB -0.290 30.011 30.300 0.002 0.000 0.880 57 R HN 0.484 8.755 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 0.002 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 4.115 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 0.001 0.000 1.361 59 I CB 0.184 38.184 38.000 -0.000 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 0.002 0.000 1.535 60 E CA -1.041 55.360 56.400 0.002 0.000 1.816 60 E CB -1.948 27.753 29.700 0.002 0.000 1.494 60 E HN 0.446 8.806 8.360 0.001 0.000 0.464 61 Q N 0.940 120.742 119.800 0.002 0.000 2.478 61 Q HA -0.681 3.660 4.340 0.002 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 0.005 0.000 2.612 61 Q HN -0.205 7.977 8.270 0.002 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 0.002 0.000 0.198 62 N C 1.643 177.152 175.510 -0.001 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 -0.002 0.000 0.243 63 S C 1.200 175.796 174.600 -0.005 0.000 1.003 63 S CA 2.830 61.029 58.200 -0.002 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 0.001 0.036 0.510 64 I N 1.412 121.978 120.570 -0.006 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 59.821 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 4.361 4.320 -0.047 0.000 0.198 66 K C 0.045 176.604 176.600 -0.068 0.000 1.052 66 K CA 0.744 57.001 56.287 -0.051 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 -0.103 -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 -0.121 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 -0.203 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 -0.006 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 39.371 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 0.058 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 -0.004 0.000 0.905 72 D HN 0.477 8.946 8.370 0.166 0.000 0.483 73 Y N -5.173 115.243 120.300 0.193 0.000 2.612 73 Y HA 0.100 4.802 4.550 0.253 0.000 0.250 73 Y C -1.579 174.503 175.900 0.303 0.000 1.175 73 Y CA -0.893 57.342 58.100 0.224 0.000 1.205 73 Y CB 0.439 38.960 38.460 0.101 0.000 1.201 73 Y HN -0.567 8.313 8.280 0.479 -0.313 0.532 74 V N -1.232 118.933 119.914 0.417 0.000 2.852 74 V HA 0.506 5.058 4.120 0.491 -0.138 0.300 74 V C -2.932 173.224 176.094 0.104 0.000 1.205 74 V CA -1.556 60.944 62.300 0.333 0.000 0.940 74 V CB 3.112 35.064 31.823 0.216 0.000 1.047 74 V HN 0.106 8.380 8.190 0.317 0.107 0.429 75 A N 7.107 129.932 122.820 0.009 0.000 2.485 75 A HA 0.908 5.217 4.320 -0.128 -0.066 0.292 75 A C -3.116 174.465 177.584 -0.005 0.000 1.147 75 A CA -1.743 50.184 52.037 -0.183 0.000 0.750 75 A CB 4.328 22.936 19.000 -0.654 0.000 1.331 75 A HN 0.741 9.016 8.150 0.209 0.000 0.419 76 A N -2.441 120.332 122.820 -0.078 0.000 2.594 76 A HA 1.119 5.521 4.320 -0.149 -0.172 0.295 76 A C -2.892 174.581 177.584 -0.185 0.000 1.071 76 A CA -1.137 50.801 52.037 -0.163 0.000 0.685 76 A CB 4.002 22.817 19.000 -0.308 0.000 1.285 76 A HN 0.905 8.880 8.150 -0.115 0.106 0.405 77 V N 1.012 120.795 119.914 -0.217 0.000 2.735 77 V HA 0.814 5.008 4.120 -0.141 -0.159 0.310 77 V C -1.920 174.058 176.094 -0.194 0.000 1.061 77 V CA -2.898 59.302 62.300 -0.167 0.000 0.913 77 V CB 3.297 35.044 31.823 -0.128 0.000 1.005 77 V HN 0.218 8.247 8.190 -0.270 0.000 0.428 78 T N 8.141 122.608 114.554 -0.145 0.000 2.916 78 T HA 0.585 4.951 4.350 -0.162 -0.113 0.292 78 T C -1.541 173.107 174.700 -0.088 0.000 1.064 78 T CA -2.164 59.857 62.100 -0.132 0.000 1.011 78 T CB 1.227 70.023 68.868 -0.119 0.000 1.152 78 T HN -0.080 8.090 8.240 -0.117 0.000 0.510 79 S N 3.417 119.073 115.700 -0.072 0.000 2.566 79 S HA 0.370 4.815 4.470 -0.043 0.000 0.273 79 S C -1.732 172.851 174.600 -0.028 0.000 1.157 79 S CA -0.151 58.020 58.200 -0.048 0.000 0.938 79 S CB 2.207 65.376 63.200 -0.052 0.000 1.087 79 S HN 0.860 9.123 8.310 -0.078 0.000 0.474 80 G N 3.718 112.509 108.800 -0.016 0.000 2.240 80 G HA2 -0.079 3.883 3.960 0.002 0.000 0.199 80 G HA3 -0.079 4.011 3.960 0.005 -0.126 0.199 80 G C -1.959 172.944 174.900 0.004 0.000 1.342 80 G CA -0.315 44.784 45.100 -0.000 0.000 1.145 80 G HN -0.074 8.205 8.290 -0.018 0.000 0.477 81 L N 3.633 124.865 121.223 0.015 0.000 2.565 81 L HA 0.215 4.561 4.340 0.011 0.000 0.275 81 L C 0.935 177.814 176.870 0.015 0.000 1.137 81 L CA -0.809 54.040 54.840 0.016 0.000 0.915 81 L CB -1.551 40.521 42.059 0.023 0.000 1.232 81 L HN 0.362 8.498 8.230 0.022 0.107 0.473 82 V N 8.969 128.887 119.914 0.007 0.000 2.233 82 V HA -0.525 3.595 4.120 -0.001 0.000 0.252 82 V C 1.010 177.113 176.094 0.015 0.000 1.063 82 V CA 4.147 66.450 62.300 0.005 0.000 1.032 82 V CB -0.076 31.748 31.823 0.002 0.000 0.645 82 V HN 0.298 8.491 8.190 0.005 0.000 0.446 83 A N -3.116 119.716 122.820 0.019 0.000 1.892 83 A HA -0.318 4.017 4.320 0.026 0.000 0.218 83 A C 1.810 179.424 177.584 0.050 0.000 1.188 83 A CA 3.508 55.562 52.037 0.028 0.000 0.631 83 A CB -1.000 18.012 19.000 0.021 0.000 0.822 83 A HN 0.218 8.377 8.150 0.015 0.000 0.447 84 D N -0.785 119.652 120.400 0.062 0.000 2.144 84 D HA -0.280 4.462 4.640 0.171 0.000 0.199 84 D C 1.924 178.290 176.300 0.109 0.000 0.984 84 D CA 2.796 56.875 54.000 0.131 0.000 0.834 84 D CB -0.544 40.343 40.800 0.146 0.000 0.955 84 D HN -0.287 8.109 8.370 0.044 0.000 0.465 85 A N 1.230 124.080 122.820 0.049 0.000 1.835 85 A HA -0.356 3.962 4.320 -0.004 0.000 0.215 85 A C 1.426 179.019 177.584 0.016 0.000 1.199 85 A CA 3.186 55.230 52.037 0.011 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 -0.983 119.530 120.500 0.022 0.000 2.143 86 R HA -0.392 3.959 4.340 0.017 0.000 0.239 86 R C 1.964 178.293 176.300 0.047 0.000 1.126 86 R CA 3.297 59.414 56.100 0.027 0.000 0.927 86 R CB -0.049 30.267 30.300 0.026 0.000 0.860 86 R HN -0.350 7.932 8.270 0.021 0.000 0.433 87 V N -0.743 119.210 119.914 0.065 0.000 2.324 87 V HA -0.392 3.780 4.120 0.086 0.000 0.250 87 V C 1.392 177.533 176.094 0.079 0.000 1.060 87 V CA 3.536 65.889 62.300 0.088 0.000 1.042 87 V CB -0.174 31.723 31.823 0.123 0.000 0.650 87 V HN -0.592 7.638 8.190 0.067 0.000 0.450 88 L N -1.141 120.094 121.223 0.020 0.000 2.046 88 L HA -0.301 3.952 4.340 -0.145 0.000 0.208 88 L C 1.981 178.906 176.870 0.093 0.000 1.077 88 L CA 3.217 58.025 54.840 -0.053 0.000 0.747 88 L CB -0.453 41.508 42.059 -0.163 0.000 0.896 88 L HN -0.624 7.544 8.230 0.030 0.080 0.432 89 V N 0.214 120.172 119.914 0.073 0.000 2.255 89 V HA -0.598 3.600 4.120 0.131 0.000 0.247 89 V C 2.183 178.339 176.094 0.103 0.000 1.051 89 V CA 5.055 67.410 62.300 0.092 0.000 1.018 89 V CB -1.055 30.792 31.823 0.040 0.000 0.641 89 V HN 0.316 8.451 8.190 0.040 0.079 0.445 90 D N -0.360 120.093 120.400 0.089 0.000 2.149 90 D HA -0.342 4.326 4.640 0.047 0.000 0.198 90 D C 2.190 178.545 176.300 0.092 0.000 0.990 90 D CA 3.800 57.846 54.000 0.076 0.000 0.839 90 D CB -0.275 40.568 40.800 0.072 0.000 0.948 90 D HN -0.102 8.316 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 -0.019 0.000 1.104 91 F CA 3.521 61.510 58.000 -0.018 0.000 1.232 91 F CB -0.053 38.916 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 0.132 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 -0.130 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 -0.215 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 -0.125 0.000 1.071 94 I HN -0.119 8.020 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 3.773 4.470 -0.385 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 -0.068 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 -0.098 -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 -0.603 119.813 120.400 0.026 0.000 2.032 100 K HA -0.324 4.014 4.320 0.030 0.000 0.209 100 K C 2.853 179.457 176.600 0.008 0.000 1.048 100 K CA 3.211 59.508 56.287 0.017 0.000 0.927 100 K CB -0.044 32.454 32.500 -0.004 0.000 0.712 100 K HN -0.596 7.654 8.250 0.000 0.000 0.441 101 V N -1.267 118.637 119.914 -0.016 0.000 2.626 101 V HA -0.250 3.854 4.120 -0.026 0.000 0.252 101 V C 1.382 177.438 176.094 -0.064 0.000 1.067 101 V CA 2.826 65.105 62.300 -0.035 0.000 1.081 101 V CB -0.181 31.617 31.823 -0.040 0.000 0.686 101 V HN 0.002 8.181 8.190 -0.019 0.000 0.468 102 T N -0.867 113.629 114.554 -0.097 0.000 2.953 102 T HA -0.159 4.078 4.350 -0.189 0.000 0.247 102 T C 1.214 175.743 174.700 -0.285 0.000 1.029 102 T CA 2.319 64.280 62.100 -0.232 0.000 1.144 102 T CB 0.694 69.344 68.868 -0.363 0.000 0.870 102 T HN -0.473 7.708 8.240 -0.060 0.022 0.446 103 Y N -1.288 118.990 120.300 -0.037 0.000 2.500 103 Y HA 0.068 4.599 4.550 -0.031 0.000 0.270 103 Y C 0.631 176.509 175.900 -0.036 0.000 1.134 103 Y CA 0.770 58.849 58.100 -0.036 0.000 1.293 103 Y CB 0.687 39.123 38.460 -0.040 0.000 1.063 103 Y HN -0.003 8.314 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 -0.025 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 7.889 8.310 0.106 0.072 0.453 106 L N 8.248 129.438 121.223 -0.054 0.000 2.395 106 L HA 0.191 4.638 4.340 -0.061 -0.144 0.268 106 L C -0.926 175.890 176.870 -0.091 0.000 1.223 106 L CA -1.060 53.739 54.840 -0.067 0.000 1.093 106 L CB -1.416 40.608 42.059 -0.059 0.000 1.349 106 L HN 0.470 8.659 8.230 -0.068 0.000 0.427 107 V N 5.615 125.464 119.914 -0.108 0.000 2.261 107 V HA -0.240 3.822 4.120 -0.095 0.000 0.246 107 V C -1.096 174.941 176.094 -0.094 0.000 1.047 107 V CA 2.335 64.570 62.300 -0.109 0.000 1.015 107 V CB 0.651 32.392 31.823 -0.137 0.000 0.642 107 V HN -0.329 7.861 8.190 -0.121 -0.073 0.446 108 N N -3.421 115.212 118.700 -0.112 0.000 2.483 108 N HA 0.225 5.167 4.740 -0.062 -0.240 0.267 108 N C 0.950 176.385 175.510 -0.125 0.000 0.998 108 N CA -1.923 51.069 53.050 -0.096 0.000 0.918 108 N CB 0.558 38.986 38.487 -0.098 0.000 1.215 108 N HN -0.714 7.582 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 -0.369 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 2.934 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 59.639 56.400 -0.713 0.000 0.804 110 E CB -0.524 29.002 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 55.904 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 7.538 8.380 -0.240 -0.006 0.424 112 L N 0.537 121.588 121.223 -0.287 0.000 2.013 112 L HA -0.298 3.900 4.340 -0.238 0.000 0.212 112 L C 1.078 177.690 176.870 -0.430 0.000 1.073 112 L CA 2.924 57.574 54.840 -0.317 0.000 0.753 112 L CB -0.346 41.517 42.059 -0.325 0.000 0.890 112 L HN -0.725 7.256 8.230 -0.280 0.081 0.432 113 V N -1.451 118.099 119.914 -0.606 0.000 2.343 113 V HA -0.643 2.918 4.120 -0.932 0.000 0.247 113 V C 1.231 177.150 176.094 -0.293 0.000 1.051 113 V CA 4.293 66.194 62.300 -0.665 0.000 1.036 113 V CB -0.366 31.052 31.823 -0.676 0.000 0.654 113 V HN -0.479 7.341 8.190 -0.617 0.000 0.451 114 K N -0.628 119.631 120.400 -0.235 0.000 2.074 114 K HA -0.423 3.859 4.320 -0.063 0.000 0.209 114 K C 2.251 178.822 176.600 -0.048 0.000 1.048 114 K CA 4.055 60.279 56.287 -0.105 0.000 0.926 114 K CB -0.481 31.965 32.500 -0.090 0.000 0.713 114 K HN -0.222 7.841 8.250 -0.311 0.000 0.444 115 R N -0.785 119.681 120.500 -0.056 0.000 2.073 115 R HA -0.287 4.090 4.340 0.060 0.000 0.234 115 R C 2.070 178.468 176.300 0.163 0.000 1.134 115 R CA 3.424 59.552 56.100 0.047 0.000 0.952 115 R CB 0.024 30.337 30.300 0.021 0.000 0.850 115 R HN -0.330 7.869 8.270 -0.119 0.000 0.433 116 V N -0.651 119.345 119.914 0.137 0.000 2.626 116 V HA -0.357 4.010 4.120 0.413 0.000 0.252 116 V C 1.078 177.189 176.094 0.029 0.000 1.067 116 V CA 3.023 65.445 62.300 0.204 0.000 1.081 116 V CB -0.134 31.813 31.823 0.207 0.000 0.686 116 V HN -0.596 7.586 8.190 -0.012 0.000 0.468 117 A N 0.468 123.305 122.820 0.028 0.000 1.873 117 A HA -0.270 4.068 4.320 0.030 0.000 0.215 117 A C 1.677 179.271 177.584 0.017 0.000 1.186 117 A CA 3.002 55.055 52.037 0.027 0.000 0.616 117 A CB -0.554 18.471 19.000 0.042 0.000 0.823 117 A HN 0.508 8.568 8.150 0.007 0.094 0.442 118 D N -1.142 119.277 120.400 0.032 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 -0.144 0.000 2.099 120 M HA -0.340 4.087 4.480 -0.087 0.000 0.262 120 M C 2.516 178.890 176.300 0.123 0.000 1.067 120 M CA 3.734 59.001 55.300 -0.056 0.000 1.124 120 M CB -0.151 32.398 32.600 -0.084 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 0.102 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 0.060 0.059 0.426 122 Q N -0.351 119.613 119.800 0.273 0.000 2.061 122 Q HA -0.314 4.255 4.340 0.382 0.000 0.204 122 Q C 2.087 178.339 176.000 0.421 0.000 0.984 122 Q CA 3.244 59.278 55.803 0.385 0.000 0.846 122 Q CB -0.016 28.931 28.738 0.349 0.000 0.902 122 Q HN 0.119 8.516 8.270 0.235 0.014 0.421 123 Y N -6.162 114.236 120.300 0.163 0.000 2.639 123 Y HA -0.119 4.511 4.550 0.133 0.000 0.297 123 Y C 0.968 176.903 175.900 0.058 0.000 1.151 123 Y CA 1.199 59.370 58.100 0.118 0.000 1.335 123 Y CB -0.901 37.618 38.460 0.099 0.000 0.994 123 Y HN -0.596 8.185 8.280 0.835 0.000 0.548 124 T N -2.060 112.607 114.554 0.189 0.000 3.023 124 T HA -0.210 4.163 4.350 0.038 0.000 0.266 124 T C -0.175 174.500 174.700 -0.041 0.000 1.093 124 T CA 2.651 64.782 62.100 0.051 0.000 1.129 124 T CB 0.688 69.573 68.868 0.030 0.000 0.899 124 T HN -0.344 7.822 8.240 0.227 0.211 0.491 125 Q N -0.848 118.924 119.800 -0.047 0.000 2.254 125 Q HA 0.078 4.313 4.340 -0.174 0.000 0.259 125 Q C 1.883 177.724 176.000 -0.265 0.000 0.815 125 Q CA 0.600 56.291 55.803 -0.187 0.000 0.961 125 Q CB 1.308 29.892 28.738 -0.257 0.000 1.140 125 Q HN -0.464 7.689 8.270 0.039 0.140 0.502 126 Y N 2.843 123.106 120.300 -0.061 0.000 3.127 126 Y HA -0.271 4.241 4.550 -0.063 0.000 0.387 126 Y C 0.428 176.268 175.900 -0.100 0.000 1.029 126 Y CA 0.343 58.388 58.100 -0.091 0.000 1.905 126 Y CB -2.230 36.147 38.460 -0.139 0.000 2.007 126 Y HN -0.412 7.907 8.280 0.066 0.000 0.435 127 G N 0.277 109.070 108.800 -0.010 0.000 2.614 127 G HA2 -0.323 3.622 3.960 -0.025 0.000 0.303 127 G HA3 -0.323 3.640 3.960 0.005 0.000 0.303 127 G C 0.533 175.425 174.900 -0.013 0.000 1.270 127 G CA -0.507 44.587 45.100 -0.009 0.000 0.988 127 G HN -0.284 7.872 8.290 -0.073 0.090 0.551 128 G N 0.177 108.969 108.800 -0.013 0.000 2.435 128 G HA2 -0.196 3.756 3.960 -0.013 0.000 0.277 128 G HA3 -0.196 3.749 3.960 -0.025 0.000 0.277 128 G C -1.133 173.741 174.900 -0.043 0.000 0.612 128 G CA 1.273 46.359 45.100 -0.023 0.000 2.058 128 G HN 0.146 8.433 8.290 -0.006 0.000 0.554 129 V N -0.834 119.059 119.914 -0.036 0.000 2.903 129 V HA 0.038 4.142 4.120 -0.026 0.000 0.289 129 V C -2.454 173.654 176.094 0.024 0.000 1.355 129 V CA -0.692 61.587 62.300 -0.035 0.000 0.953 129 V CB 3.431 35.161 31.823 -0.154 0.000 1.102 129 V HN -0.408 7.731 8.190 -0.021 0.039 0.435 130 R N 8.282 128.799 120.500 0.028 0.000 2.316 130 R HA 0.225 4.583 4.340 0.029 0.000 0.314 130 R C -1.745 174.565 176.300 0.016 0.000 1.069 130 R CA -1.933 54.179 56.100 0.021 0.000 0.959 130 R CB 0.310 30.606 30.300 -0.007 0.000 0.987 130 R HN 0.183 8.460 8.270 0.012 0.000 0.446 131 P HA -0.118 4.382 4.420 0.133 0.000 0.269 131 P C -1.178 176.077 177.300 -0.074 0.000 1.211 131 P CA 0.075 63.202 63.100 0.044 0.000 0.781 131 P CB 0.575 32.315 31.700 0.068 0.000 0.877 132 Y N -0.537 119.708 120.300 -0.092 0.000 2.436 132 Y HA -0.118 4.549 4.550 -0.101 -0.179 0.336 132 Y C 1.683 177.553 175.900 -0.050 0.000 1.049 132 Y CA 0.989 59.021 58.100 -0.112 0.000 1.294 132 Y CB 0.217 38.562 38.460 -0.191 0.000 1.179 132 Y HN 0.247 8.634 8.280 0.178 0.000 0.520 133 G N 5.740 114.592 108.800 0.087 0.000 3.343 133 G HA2 0.040 4.039 3.960 0.064 0.000 0.264 133 G HA3 0.040 4.028 3.960 0.045 0.000 0.264 133 G C -2.540 172.395 174.900 0.058 0.000 0.884 133 G CA -0.076 45.062 45.100 0.063 0.000 1.916 133 G HN 0.883 9.534 8.290 0.047 -0.333 0.618 134 V N 0.985 120.934 119.914 0.059 0.000 3.225 134 V HA 0.861 5.138 4.120 0.014 -0.149 0.293 134 V C -3.120 172.977 176.094 0.006 0.000 1.405 134 V CA -2.096 60.219 62.300 0.025 0.000 1.038 134 V CB 3.543 35.378 31.823 0.020 0.000 1.123 134 V HN -0.568 7.622 8.190 0.073 0.044 0.447 135 S N 2.025 117.713 115.700 -0.021 0.000 2.549 135 S HA 0.796 5.375 4.470 -0.020 -0.121 0.280 135 S C -1.896 172.653 174.600 -0.086 0.000 1.109 135 S CA -0.840 57.340 58.200 -0.034 0.000 0.905 135 S CB 2.909 66.097 63.200 -0.021 0.000 1.081 135 S HN 0.313 8.607 8.310 -0.027 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 -2.157 174.539 176.870 -0.290 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 -0.390 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 -0.122 -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 41.256 38.000 -0.117 0.000 1.251 137 I HN 0.570 8.567 8.210 -0.356 0.000 0.426 138 F N 5.986 126.006 119.950 0.116 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 0.200 0.000 1.113 138 F CA -2.106 55.969 58.000 0.127 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 5.679 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 50.995 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 0.281 0.000 2.315 140 G HA2 0.249 4.313 3.960 0.174 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 40.243 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 8.826 129.262 120.400 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 0.019 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 -0.038 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 38.793 38.000 0.020 0.000 1.072 144 I HN -0.114 8.366 8.210 -0.001 -0.271 0.417 145 G N -3.650 105.157 108.800 0.012 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 0.001 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 0.465 121.011 120.500 0.076 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 0.148 0.000 0.993 147 R CA -1.702 54.477 56.100 0.131 0.000 0.931 147 R CB 4.818 35.335 30.300 0.362 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 0.237 -0.181 0.266 148 L C -2.408 174.377 176.870 -0.142 0.000 0.949 148 L CA -0.004 54.871 54.840 0.057 0.000 0.879 148 L CB 3.477 45.540 42.059 0.007 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 0.538 0.108 0.465 150 D N -0.082 120.579 120.400 0.435 0.000 2.527 150 D HA 0.612 5.480 4.640 0.147 -0.139 0.233 150 D C -1.851 174.605 176.300 0.260 0.000 1.063 150 D CA -1.713 52.425 54.000 0.230 0.000 0.880 150 D CB 3.758 44.581 40.800 0.038 0.000 1.457 150 D HN 0.498 9.180 8.370 0.520 0.000 0.475 151 C N 0.663 120.057 119.300 0.157 0.000 2.701 151 C HA 0.932 5.778 4.460 0.169 -0.285 0.336 151 C C -2.051 172.984 174.990 0.076 0.000 1.123 151 C CA -2.301 56.809 59.018 0.154 0.000 1.326 151 C CB 3.321 31.200 27.740 0.230 0.000 1.833 151 C HN 0.724 8.996 8.230 0.070 0.000 0.473 152 D N 6.791 127.235 120.400 0.073 0.000 2.442 152 D HA 0.795 5.453 4.640 0.031 0.000 0.254 152 D C -0.942 175.385 176.300 0.045 0.000 1.069 152 D CA -3.167 50.862 54.000 0.048 0.000 1.017 152 D CB -0.551 40.279 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 0.044 0.000 2.119 154 A HA -0.156 4.184 4.320 0.034 0.000 0.217 154 A C 0.405 178.019 177.584 0.050 0.000 1.153 154 A CA 0.561 52.622 52.037 0.039 0.000 0.692 154 A CB -0.014 19.003 19.000 0.029 0.000 0.799 154 A HN -0.155 8.214 8.150 0.042 -0.193 0.458 155 G N -3.831 105.002 108.800 0.054 0.000 2.134 155 G HA2 -0.309 3.683 3.960 0.052 0.000 0.209 155 G HA3 -0.309 3.686 3.960 0.057 0.000 0.209 155 G C -0.235 174.706 174.900 0.068 0.000 0.993 155 G CA -0.132 45.002 45.100 0.058 0.000 0.669 155 G HN 0.003 8.236 8.290 0.053 0.089 0.519 156 T N 3.047 117.645 114.554 0.073 0.000 2.869 156 T HA 0.073 4.469 4.350 0.076 0.000 0.295 156 T C -1.454 173.317 174.700 0.118 0.000 0.987 156 T CA 1.517 63.668 62.100 0.084 0.000 1.109 156 T CB 1.085 69.998 68.868 0.076 0.000 0.932 156 T HN 0.116 8.649 8.240 0.067 -0.252 0.518 157 I N 5.250 125.898 120.570 0.129 0.000 2.533 157 I HA 0.824 5.386 4.170 0.232 -0.253 0.290 157 I C -2.329 173.906 176.117 0.197 0.000 1.056 157 I CA -2.394 59.021 61.300 0.192 0.000 1.057 157 I CB 3.508 41.612 38.000 0.174 0.000 1.240 157 I HN 0.266 8.539 8.210 0.105 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 0.076 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 0.631 120.654 120.200 -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 -0.496 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 -0.273 0.000 0.394 160 Y N 4.383 124.502 120.300 -0.302 0.000 2.630 160 Y HA 0.131 4.584 4.550 -0.162 0.000 0.337 160 Y C -0.752 175.033 175.900 -0.192 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 -1.078 175.387 176.600 -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 33.487 32.500 -0.051 0.000 0.836 161 K HN 0.341 8.619 8.250 0.047 0.000 0.490 162 A N -4.786 117.889 122.820 -0.242 0.000 2.594 162 A HA 0.585 4.925 4.320 -0.222 -0.153 0.296 162 A C -1.853 175.597 177.584 -0.224 0.000 1.056 162 A CA -0.336 51.506 52.037 -0.325 0.000 0.693 162 A CB 2.106 20.681 19.000 -0.707 0.000 1.278 162 A HN -0.708 7.395 8.150 -0.078 0.000 0.408 163 T N -0.186 114.205 114.554 -0.271 0.000 2.700 163 T HA 0.307 4.481 4.350 -0.292 0.000 0.307 163 T C -2.630 171.898 174.700 -0.287 0.000 1.580 163 T CA -1.106 60.766 62.100 -0.381 0.000 0.992 163 T CB 2.133 70.433 68.868 -0.947 0.000 1.577 163 T HN 0.800 8.902 8.240 -0.231 0.000 0.496 164 A N 0.408 123.067 122.820 -0.270 0.000 2.583 164 A HA 0.488 4.774 4.320 -0.179 -0.074 0.289 164 A C -3.128 174.353 177.584 -0.171 0.000 1.151 164 A CA -1.134 50.791 52.037 -0.186 0.000 0.695 164 A CB 3.136 22.056 19.000 -0.133 0.000 1.290 164 A HN 0.157 8.120 8.150 -0.311 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 59.657 61.300 -0.101 0.000 0.988 165 I CB 4.383 42.316 38.000 -0.112 0.000 1.307 165 I HN 0.746 8.788 8.210 -0.115 0.099 0.460 166 G N 3.943 112.711 108.800 -0.054 0.000 2.378 166 G HA2 -0.320 3.589 3.960 -0.035 0.000 0.198 166 G HA3 -0.320 3.833 3.960 -0.045 -0.220 0.198 166 G C -0.085 174.799 174.900 -0.027 0.000 1.223 166 G CA 0.019 45.095 45.100 -0.040 0.000 1.088 166 G HN -0.410 7.851 8.290 -0.048 0.000 0.530 167 S N 3.504 119.190 115.700 -0.022 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 -0.010 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 -0.025 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 -0.007 0.000 1.258 168 G HN 0.352 8.630 8.290 -0.019 0.000 0.560 169 K N 2.023 122.412 120.400 -0.019 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 -0.029 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 -0.017 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 0.017 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 0.020 0.000 0.939 170 D HN 0.375 8.746 8.370 0.001 0.000 0.449 171 A N -0.154 122.684 122.820 0.031 0.000 1.828 171 A HA -0.169 4.186 4.320 0.058 0.000 0.215 171 A C 1.992 179.625 177.584 0.081 0.000 1.203 171 A CA 2.764 54.833 52.037 0.054 0.000 0.614 171 A CB -0.798 18.231 19.000 0.049 0.000 0.844 171 A HN -0.186 7.965 8.150 0.021 0.011 0.445 172 V N -0.085 119.858 119.914 0.048 0.000 2.332 172 V HA -0.477 3.688 4.120 0.074 0.000 0.248 172 V C 1.652 177.771 176.094 0.041 0.000 1.055 172 V CA 3.337 65.656 62.300 0.031 0.000 1.038 172 V CB 0.076 31.872 31.823 -0.044 0.000 0.651 172 V HN -0.514 7.690 8.190 0.023 0.000 0.450 173 V N -1.574 118.348 119.914 0.014 0.000 2.469 173 V HA -0.549 3.559 4.120 -0.020 0.000 0.251 173 V C 1.224 177.358 176.094 0.066 0.000 1.064 173 V CA 4.468 66.775 62.300 0.011 0.000 1.066 173 V CB -0.414 31.405 31.823 -0.006 0.000 0.667 173 V HN 0.707 8.899 8.190 0.003 0.000 0.461 174 S N 0.525 116.278 115.700 0.089 0.000 2.357 174 S HA -0.278 4.242 4.470 0.082 0.000 0.221 174 S C 1.800 176.502 174.600 0.170 0.000 1.031 174 S CA 3.756 62.017 58.200 0.102 0.000 0.982 174 S CB -0.360 62.885 63.200 0.074 0.000 0.853 174 S HN -0.535 7.718 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 -1.259 120.213 121.223 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 0.253 0.000 1.071 176 L CA 2.695 57.708 54.840 0.287 0.000 0.749 176 L CB -1.758 40.346 42.059 0.074 0.000 0.890 176 L HN -0.004 8.395 8.230 0.282 0.000 0.431 177 E N -1.457 118.841 120.200 0.163 0.000 2.236 177 E HA -0.350 4.066 4.350 0.110 0.000 0.205 177 E C 1.452 178.132 176.600 0.133 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 1.488 177.859 176.300 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 0.017 0.000 0.954 178 R HN -0.636 7.585 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 2.157 122.544 120.300 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 -0.631 0.000 2.292 181 K HA 0.213 4.336 4.320 -0.327 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 -0.225 0.000 1.166 181 K HN 0.323 8.266 8.250 -0.513 0.000 0.458 182 E N 6.681 126.543 120.200 -0.563 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 -0.079 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 0.039 0.000 1.204 183 N CA -0.373 52.688 53.050 0.018 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 -0.066 0.000 0.508 184 L N 3.708 124.934 121.223 0.004 0.000 2.540 184 L HA -0.056 4.280 4.340 -0.007 0.000 0.276 184 L C -2.296 174.628 176.870 0.091 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 -0.078 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 0.146 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 1.218 123.981 122.820 -0.094 0.000 1.865 189 A HA -0.267 4.040 4.320 -0.022 0.000 0.217 189 A C 1.801 179.307 177.584 -0.130 0.000 1.191 189 A CA 3.297 55.273 52.037 -0.102 0.000 0.623 189 A CB -0.417 18.466 19.000 -0.196 0.000 0.826 189 A HN 0.306 8.190 8.150 -0.134 0.186 0.444 190 V N -2.502 117.272 119.914 -0.232 0.000 2.490 190 V HA -0.410 3.534 4.120 -0.294 0.000 0.250 190 V C 1.332 177.317 176.094 -0.181 0.000 1.061 190 V CA 3.367 65.478 62.300 -0.315 0.000 1.064 190 V CB -0.397 31.049 31.823 -0.629 0.000 0.670 190 V HN 0.322 8.347 8.190 -0.275 0.000 0.461 191 T N 3.325 117.865 114.554 -0.023 0.000 2.674 191 T HA -0.362 4.060 4.350 0.121 0.000 0.265 191 T C 1.775 176.474 174.700 -0.002 0.000 1.039 191 T CA 5.331 67.474 62.100 0.071 0.000 1.150 191 T CB -0.284 68.665 68.868 0.135 0.000 0.864 191 T HN -0.725 7.416 8.240 0.001 0.100 0.427 192 L N 1.393 122.609 121.223 -0.012 0.000 2.042 192 L HA -0.348 3.995 4.340 0.005 0.000 0.210 192 L C 1.733 178.500 176.870 -0.170 0.000 1.076 192 L CA 3.090 57.909 54.840 -0.035 0.000 0.749 192 L CB -0.694 41.380 42.059 0.025 0.000 0.893 192 L HN 0.414 8.644 8.230 0.000 0.000 0.432 193 G N -1.123 107.593 108.800 -0.139 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 -0.185 0.000 0.791 193 G HN 0.099 8.329 8.290 -0.097 0.001 0.550 194 I N 2.312 122.785 120.570 -0.161 0.000 2.194 194 I HA -0.561 3.534 4.170 -0.126 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 3.000 4.320 -1.782 0.000 0.218 196 A C 2.324 179.699 177.584 -0.349 0.000 1.181 196 A CA 2.925 54.319 52.037 -1.073 0.000 0.627 196 A CB -0.609 17.767 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 41.630 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 4.067 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 0.093 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 60.486 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 1.868 178.745 176.870 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 0.014 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 8.544 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 57.789 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 0.016 0.112 0.468 204 G N -0.959 107.848 108.800 0.011 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 0.013 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 0.011 0.000 2.415 206 E HA -0.130 4.227 4.350 0.012 0.000 0.260 206 E C 0.518 177.123 176.600 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 29.914 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 7.361 128.590 121.223 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 0.013 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 0.008 0.000 0.412 208 K C -1.339 175.266 176.600 0.008 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 0.001 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 -0.003 0.000 1.358 209 A CA -2.253 49.789 52.037 0.009 0.000 0.910 209 A CB 0.132 19.140 19.000 0.013 0.000 1.159 209 A HN 0.209 8.361 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 -0.035 0.000 0.793 210 P CB 0.977 32.645 31.700 -0.052 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 -0.034 0.000 0.274 211 E C -1.927 174.612 176.600 -0.101 0.000 0.930 211 E CA -1.383 54.984 56.400 -0.056 0.000 0.770 211 E CB 2.681 32.353 29.700 -0.045 0.000 1.104 211 E HN 0.687 8.900 8.360 -0.063 0.109 0.403 212 I N 5.441 125.932 120.570 -0.133 0.000 2.769 212 I HA 0.836 5.044 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 23.045 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 0.311 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 1.289 121.688 120.570 -0.285 0.000 2.689 215 I HA 0.380 4.378 4.170 -0.287 0.000 0.299 215 I C -2.565 173.428 176.117 -0.208 0.000 1.059 215 I CA -1.654 59.372 61.300 -0.458 0.000 1.055 215 I CB 3.654 40.982 38.000 -1.120 0.000 1.243 215 I HN 0.697 8.800 8.210 -0.178 0.000 0.425 216 T N 7.312 121.792 114.554 -0.122 0.000 2.876 216 T HA 0.267 4.614 4.350 -0.164 -0.095 0.289 216 T C -1.078 173.583 174.700 -0.065 0.000 1.014 216 T CA -2.289 59.764 62.100 -0.078 0.000 0.986 216 T CB 1.914 70.809 68.868 0.044 0.000 1.021 216 T HN 0.221 8.386 8.240 -0.126 0.000 0.458 217 V N 7.481 127.354 119.914 -0.069 0.000 2.790 217 V HA -0.529 3.589 4.120 -0.003 0.000 0.304 217 V C 0.705 176.807 176.094 0.013 0.000 1.142 217 V CA 2.730 65.018 62.300 -0.021 0.000 1.282 217 V CB 0.484 32.289 31.823 -0.029 0.000 0.877 217 V HN 0.514 8.532 8.190 -0.110 0.107 0.504 218 G N 5.535 114.365 108.800 0.051 0.000 2.254 218 G HA2 -0.249 3.752 3.960 0.068 0.000 0.225 218 G HA3 -0.249 3.736 3.960 0.041 0.000 0.225 218 G C -1.360 173.596 174.900 0.093 0.000 1.003 218 G CA -0.262 44.876 45.100 0.064 0.000 0.622 218 G HN 0.479 8.812 8.290 0.072 0.000 0.507 219 N N -0.789 117.952 118.700 0.068 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 -0.027 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 -0.043 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 -1.864 174.600 176.300 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 -0.609 175.654 176.117 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 8.537 128.849 120.300 0.019 0.000 2.511 224 Y HA -0.168 4.553 4.550 0.029 -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 0.693 177.055 176.300 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 0.058 -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 0.081 0.000 1.015 226 Q CA 4.155 59.999 55.803 0.068 0.000 0.890 226 Q CB 0.031 28.796 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 0.101 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 -0.298 119.977 120.200 0.125 0.000 2.038 228 E HA -0.348 4.095 4.350 0.155 0.000 0.195 228 E C 2.395 179.252 176.600 0.429 0.000 1.000 228 E CA 2.772 59.300 56.400 0.213 0.000 0.803 228 E CB -0.021 29.753 29.700 0.124 0.000 0.750 228 E HN -0.779 7.781 8.360 0.097 -0.141 0.448 229 V N -0.120 120.015 119.914 0.369 0.000 2.407 229 V HA -0.439 3.955 4.120 0.456 0.000 0.248 229 V C 1.158 177.434 176.094 0.303 0.000 1.055 229 V CA 3.323 65.832 62.300 0.348 0.000 1.049 229 V CB 0.072 31.991 31.823 0.160 0.000 0.662 229 V HN -0.211 8.143 8.190 0.273 0.000 0.455 230 K N -0.785 119.728 120.400 0.188 0.000 2.211 230 K HA -0.366 4.016 4.320 0.104 0.000 0.204 230 K C 1.919 178.581 176.600 0.104 0.000 1.047 230 K CA 3.078 59.435 56.287 0.118 0.000 0.935 230 K CB -0.365 32.178 32.500 0.072 0.000 0.728 230 K HN -0.183 8.101 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 -0.068 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 4.446 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 0.200 0.000 2.949 233 L HA 0.000 4.399 4.340 0.099 0.000 0.249 233 L CA 0.000 54.905 54.840 0.108 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 0.236 0.126 0.502