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 2xkp_1_A DATA FIRST_RESID 5 DATA SEQUENCE ENSLLTMFRE XXXXXXXXXI EQFERGKTIF FPGDPAERVY LLVKGAVKLS DATA SEQUENCE RVYESGEEIT VALLRENSVF GVLSLLTXXR SDRFYHAVAF TPVQLFSVPI DATA SEQUENCE EFMQKALIER PELANVMLQG LSSRILQTEM MIETLAHRDM GSRLVSFLLI DATA SEQUENCE LCRDFGIPSP DGITIDLKLS HQAIAEAIGS TRVTVTRLLG DLRESKLIAI DATA SEQUENCE HKKRITVFNP VALSQQFS 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 5 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 5 E C 0.000 176.614 176.600 0.023 0.000 1.382 5 E CA 0.000 56.412 56.400 0.019 0.000 0.976 5 E CB 0.000 29.714 29.700 0.023 0.000 0.812 6 N N -0.320 118.397 118.700 0.028 0.000 2.420 6 N HA -0.095 4.651 4.740 0.010 0.000 0.185 6 N C 1.701 177.241 175.510 0.051 0.000 1.033 6 N CA 3.032 56.103 53.050 0.036 0.000 0.879 6 N CB 0.190 38.697 38.487 0.033 0.000 1.071 6 N HN 1.672 10.052 8.380 -0.000 0.000 0.437 7 S N 0.519 116.251 115.700 0.054 0.000 2.748 7 S HA -0.277 4.199 4.470 0.010 0.000 0.304 7 S C 1.348 176.001 174.600 0.089 0.000 1.331 7 S CA 1.322 59.560 58.200 0.064 0.000 1.192 7 S CB -2.216 61.014 63.200 0.050 0.000 1.419 7 S HN 0.449 8.759 8.310 -0.000 0.000 0.765 8 L N 0.246 121.531 121.223 0.105 0.000 2.043 8 L HA -0.105 4.241 4.340 0.010 0.000 0.212 8 L C 2.761 179.752 176.870 0.202 0.000 1.075 8 L CA 2.228 57.166 54.840 0.163 0.000 0.752 8 L CB -0.504 41.635 42.059 0.133 0.000 0.891 8 L HN 0.451 8.681 8.230 -0.000 0.000 0.432 9 L N -0.625 120.687 121.223 0.149 0.000 2.010 9 L HA -0.337 4.009 4.340 0.010 0.000 0.219 9 L C 2.561 179.510 176.870 0.131 0.000 1.077 9 L CA 2.365 57.310 54.840 0.176 0.000 0.773 9 L CB -0.653 41.502 42.059 0.159 0.000 0.892 9 L HN 0.413 8.643 8.230 -0.000 0.000 0.436 10 T N -1.764 112.850 114.554 0.099 0.000 2.915 10 T HA -0.231 4.125 4.350 0.010 0.000 0.269 10 T C 1.657 176.384 174.700 0.045 0.000 1.071 10 T CA 1.343 63.479 62.100 0.060 0.000 1.132 10 T CB -0.170 68.728 68.868 0.051 0.000 0.878 10 T HN 0.326 8.566 8.240 -0.000 0.000 0.479 11 M N 0.155 119.803 119.600 0.079 0.000 2.081 11 M HA 0.021 4.507 4.480 0.010 0.000 0.261 11 M C 1.936 178.244 176.300 0.013 0.000 1.075 11 M CA 1.626 56.953 55.300 0.046 0.000 1.133 11 M CB -0.360 32.281 32.600 0.068 0.000 1.330 11 M HN 0.185 8.475 8.290 -0.000 0.000 0.414 12 F N 1.279 121.177 119.950 -0.086 0.000 2.091 12 F HA -0.296 4.236 4.527 0.009 0.000 0.299 12 F C 2.668 178.251 175.800 -0.361 0.000 1.103 12 F CA 2.437 60.333 58.000 -0.173 0.000 1.228 12 F CB -0.561 38.347 39.000 -0.153 0.000 0.984 12 F HN 0.303 8.603 8.300 -0.000 0.000 0.477 13 R N 0.747 121.066 120.500 -0.302 0.000 2.261 13 R HA -0.159 4.187 4.340 0.010 0.000 0.236 13 R C -0.072 176.095 176.300 -0.222 0.000 1.141 13 R CA 1.253 57.066 56.100 -0.478 0.000 1.001 13 R CB -0.579 29.557 30.300 -0.274 0.000 0.866 13 R HN 0.283 8.553 8.270 -0.000 0.000 0.468 25 E N 5.441 125.637 120.200 -0.007 0.000 2.179 25 E HA 0.359 4.715 4.350 0.010 0.000 0.275 25 E C -1.288 175.376 176.600 0.106 0.000 0.945 25 E CA -0.767 55.685 56.400 0.087 0.000 0.792 25 E CB 1.820 31.693 29.700 0.288 0.000 1.125 25 E HN 0.420 8.780 8.360 -0.000 0.000 0.397 26 Q N 2.720 122.510 119.800 -0.016 0.000 2.241 26 Q HA 0.460 4.806 4.340 0.010 0.000 0.254 26 Q C -1.293 174.632 176.000 -0.125 0.000 0.917 26 Q CA -0.426 55.377 55.803 -0.000 0.000 0.919 26 Q CB 0.984 29.695 28.738 -0.045 0.000 1.237 26 Q HN 0.405 8.675 8.270 -0.000 0.000 0.434 27 F N 1.013 120.953 119.950 -0.016 0.000 2.557 27 F HA 0.314 4.847 4.527 0.010 0.000 0.316 27 F C -0.185 175.597 175.800 -0.030 0.000 1.141 27 F CA -0.815 57.175 58.000 -0.016 0.000 0.922 27 F CB 2.308 41.301 39.000 -0.012 0.000 1.194 27 F HN 0.551 8.851 8.300 -0.000 0.000 0.443 28 E N 1.725 121.985 120.200 0.101 0.000 2.354 28 E HA 0.190 4.546 4.350 0.010 0.000 0.269 28 E C -0.137 176.484 176.600 0.036 0.000 1.036 28 E CA -0.906 55.517 56.400 0.039 0.000 0.876 28 E CB 0.886 30.584 29.700 -0.004 0.000 1.009 28 E HN 0.428 8.788 8.360 -0.000 0.000 0.416 29 R N 1.397 121.890 120.500 -0.012 0.000 2.730 29 R HA -0.138 4.208 4.340 0.010 0.000 0.327 29 R C 0.820 177.082 176.300 -0.063 0.000 0.825 29 R CA 1.568 57.630 56.100 -0.064 0.000 1.130 29 R CB -0.810 29.430 30.300 -0.101 0.000 0.883 29 R HN 0.803 9.073 8.270 -0.000 0.000 0.407 30 G N 2.573 111.332 108.800 -0.069 0.000 2.213 30 G HA2 -0.335 3.632 3.960 0.010 0.000 0.236 30 G HA3 -0.335 3.632 3.960 0.010 0.000 0.236 30 G C -0.069 174.830 174.900 -0.002 0.000 0.991 30 G CA 0.261 45.330 45.100 -0.052 0.000 0.629 30 G HN 0.780 9.070 8.290 -0.000 0.000 0.517 31 K N 1.974 122.399 120.400 0.041 0.000 2.355 31 K HA 0.552 4.878 4.320 0.010 0.000 0.270 31 K C 0.433 177.100 176.600 0.112 0.000 1.003 31 K CA 0.460 56.810 56.287 0.106 0.000 0.957 31 K CB 0.336 32.945 32.500 0.181 0.000 0.939 31 K HN 0.084 8.334 8.250 -0.000 0.000 0.482 32 T N 5.186 119.825 114.554 0.142 0.000 2.817 32 T HA 0.258 4.614 4.350 0.010 0.000 0.293 32 T C 1.321 176.110 174.700 0.148 0.000 0.964 32 T CA -0.349 61.827 62.100 0.127 0.000 1.085 32 T CB 0.451 69.469 68.868 0.250 0.000 0.921 32 T HN 0.534 8.774 8.240 -0.000 0.000 0.502 33 I N 1.767 122.271 120.570 -0.110 0.000 2.494 33 I HA 0.198 4.374 4.170 0.010 0.000 0.250 33 I C 0.086 176.240 176.117 0.062 0.000 1.112 33 I CA 0.552 61.733 61.300 -0.198 0.000 1.438 33 I CB 0.201 37.826 38.000 -0.626 0.000 1.111 33 I HN 0.603 8.813 8.210 -0.000 0.000 0.431 34 F N -1.727 118.302 119.950 0.130 0.000 2.678 34 F HA 0.548 5.079 4.527 0.007 0.000 0.308 34 F C -1.319 174.722 175.800 0.402 0.000 1.118 34 F CA -2.055 56.085 58.000 0.232 0.000 0.959 34 F CB 0.641 39.743 39.000 0.170 0.000 1.305 34 F HN -0.301 7.999 8.300 -0.000 0.000 0.443 35 F N 2.034 122.259 119.950 0.459 0.000 2.523 35 F HA 0.759 5.292 4.527 0.010 0.000 0.329 35 F C -2.414 173.534 175.800 0.247 0.000 1.061 35 F CA -2.801 55.373 58.000 0.291 0.000 0.967 35 F CB 2.402 41.461 39.000 0.097 0.000 1.218 35 F HN 0.267 8.567 8.300 -0.000 0.000 0.480 36 P HA 0.188 4.608 4.420 -0.000 0.000 0.265 36 P C 0.119 177.358 177.300 -0.102 0.000 1.193 36 P CA 1.356 64.342 63.100 -0.190 0.000 0.765 36 P CB 0.740 32.240 31.700 -0.333 0.000 0.823 37 G N 1.962 110.753 108.800 -0.015 0.000 2.284 37 G HA2 -0.176 3.790 3.960 0.010 0.000 0.216 37 G HA3 -0.176 3.790 3.960 0.010 0.000 0.216 37 G C 0.004 174.942 174.900 0.063 0.000 1.009 37 G CA -0.362 44.760 45.100 0.036 0.000 0.625 37 G HN 0.500 8.790 8.290 -0.000 0.000 0.501 38 D N 3.301 123.757 120.400 0.093 0.000 2.423 38 D HA 0.387 5.034 4.640 0.010 0.000 0.238 38 D C -1.794 174.511 176.300 0.010 0.000 1.142 38 D CA -0.397 53.656 54.000 0.088 0.000 0.884 38 D CB 1.035 41.923 40.800 0.147 0.000 1.199 38 D HN 0.262 8.632 8.370 -0.000 0.000 0.438 39 P HA 0.121 4.541 4.420 -0.000 0.000 0.275 39 P C -0.988 176.276 177.300 -0.059 0.000 1.228 39 P CA -0.455 62.636 63.100 -0.016 0.000 0.786 39 P CB 0.633 32.337 31.700 0.007 0.000 0.927 40 A N 2.333 125.101 122.820 -0.088 0.000 3.126 40 A HA 0.156 4.482 4.320 0.010 0.000 0.268 40 A C 0.986 178.527 177.584 -0.072 0.000 1.605 40 A CA -0.323 51.635 52.037 -0.132 0.000 1.305 40 A CB -1.074 17.834 19.000 -0.152 0.000 1.160 40 A HN 0.628 8.778 8.150 -0.000 0.000 0.609 41 E N -0.014 120.159 120.200 -0.045 0.000 2.463 41 E HA 0.222 4.578 4.350 0.010 0.000 0.193 41 E C 0.448 177.019 176.600 -0.049 0.000 1.041 41 E CA -0.091 56.291 56.400 -0.030 0.000 0.879 41 E CB 0.381 30.075 29.700 -0.010 0.000 0.997 41 E HN 0.532 8.892 8.360 -0.000 0.000 0.478 42 R N 0.140 120.596 120.500 -0.073 0.000 2.740 42 R HA 0.560 4.906 4.340 0.010 0.000 0.273 42 R C -1.424 174.756 176.300 -0.200 0.000 0.998 42 R CA -0.936 55.052 56.100 -0.186 0.000 0.900 42 R CB 2.594 32.695 30.300 -0.333 0.000 1.223 42 R HN -0.054 8.216 8.270 -0.000 0.000 0.466 43 V N 1.862 121.619 119.914 -0.262 0.000 2.815 43 V HA 0.573 4.700 4.120 0.010 0.000 0.314 43 V C -1.180 174.728 176.094 -0.310 0.000 1.064 43 V CA -0.781 61.450 62.300 -0.115 0.000 0.952 43 V CB 1.603 33.462 31.823 0.061 0.000 1.020 43 V HN 0.585 8.775 8.190 -0.000 0.000 0.439 44 Y N 2.377 122.579 120.300 -0.163 0.000 2.576 44 Y HA 0.758 5.313 4.550 0.008 0.000 0.346 44 Y C -0.575 175.074 175.900 -0.419 0.000 1.018 44 Y CA -1.091 56.793 58.100 -0.361 0.000 1.050 44 Y CB 1.929 39.742 38.460 -1.078 0.000 1.280 44 Y HN 0.487 8.767 8.280 -0.000 0.000 0.474 45 L N 3.381 124.383 121.223 -0.368 0.000 2.372 45 L HA 0.558 4.904 4.340 0.010 0.000 0.273 45 L C -1.589 175.241 176.870 -0.067 0.000 0.989 45 L CA -0.839 53.726 54.840 -0.458 0.000 0.841 45 L CB 1.131 42.475 42.059 -1.192 0.000 1.225 45 L HN 0.612 8.842 8.230 -0.000 0.000 0.414 46 L N 6.290 127.590 121.223 0.129 0.000 2.385 46 L HA 0.273 4.620 4.340 0.010 0.000 0.281 46 L C 0.350 177.234 176.870 0.022 0.000 1.106 46 L CA 0.570 55.491 54.840 0.135 0.000 0.856 46 L CB 1.075 43.224 42.059 0.149 0.000 1.186 46 L HN 0.637 8.867 8.230 -0.000 0.000 0.453 47 V N 3.846 123.744 119.914 -0.027 0.000 2.492 47 V HA 0.152 4.278 4.120 0.010 0.000 0.241 47 V C 0.752 176.836 176.094 -0.017 0.000 1.041 47 V CA 0.735 63.012 62.300 -0.038 0.000 1.057 47 V CB -0.482 31.258 31.823 -0.139 0.000 0.711 47 V HN 0.806 8.996 8.190 -0.000 0.000 0.468 48 K N -0.624 119.765 120.400 -0.018 0.000 2.553 48 K HA 0.542 4.868 4.320 0.010 0.000 0.250 48 K C -0.320 176.293 176.600 0.022 0.000 0.953 48 K CA 0.401 56.691 56.287 0.005 0.000 0.800 48 K CB 1.666 34.164 32.500 -0.003 0.000 1.243 48 K HN 0.404 8.654 8.250 -0.000 0.000 0.435 49 G N 1.617 110.447 108.800 0.051 0.000 2.409 49 G HA2 0.264 4.230 3.960 0.010 0.000 0.421 49 G HA3 0.264 4.230 3.960 0.010 0.000 0.421 49 G C -1.548 173.420 174.900 0.114 0.000 1.259 49 G CA -0.482 44.661 45.100 0.071 0.000 1.011 49 G HN 0.891 9.181 8.290 -0.000 0.000 0.497 50 A N -1.254 121.624 122.820 0.097 0.000 2.374 50 A HA 0.845 5.172 4.320 0.010 0.000 0.305 50 A C -0.540 177.024 177.584 -0.034 0.000 1.053 50 A CA -0.202 51.891 52.037 0.094 0.000 0.726 50 A CB 2.124 21.145 19.000 0.035 0.000 1.229 50 A HN 1.870 10.020 8.150 -0.000 0.000 0.431 51 V N 2.532 122.341 119.914 -0.174 0.000 2.459 51 V HA 0.458 4.584 4.120 0.010 0.000 0.295 51 V C 0.082 175.962 176.094 -0.357 0.000 1.029 51 V CA -0.638 61.454 62.300 -0.348 0.000 0.874 51 V CB 1.819 33.222 31.823 -0.700 0.000 0.985 51 V HN 0.875 9.065 8.190 -0.000 0.000 0.438 52 K N 5.728 125.941 120.400 -0.312 0.000 2.316 52 K HA 0.533 4.859 4.320 0.010 0.000 0.267 52 K C -1.109 175.296 176.600 -0.324 0.000 1.025 52 K CA -0.562 55.550 56.287 -0.292 0.000 0.896 52 K CB 0.804 33.199 32.500 -0.175 0.000 1.124 52 K HN 0.627 8.877 8.250 -0.000 0.000 0.451 53 L N 4.130 125.164 121.223 -0.314 0.000 2.313 53 L HA 0.223 4.569 4.340 0.010 0.000 0.282 53 L C -0.170 176.535 176.870 -0.276 0.000 1.092 53 L CA -0.312 54.355 54.840 -0.287 0.000 0.831 53 L CB 1.197 43.098 42.059 -0.263 0.000 1.159 53 L HN 0.734 8.964 8.230 -0.000 0.000 0.442 54 S N 2.552 118.144 115.700 -0.180 0.000 2.568 54 S HA 0.724 5.200 4.470 0.010 0.000 0.293 54 S C -0.748 173.862 174.600 0.016 0.000 1.089 54 S CA -1.084 57.061 58.200 -0.092 0.000 0.945 54 S CB 2.566 65.779 63.200 0.021 0.000 1.077 54 S HN 0.496 8.806 8.310 -0.000 0.000 0.485 55 R N 1.351 121.878 120.500 0.045 0.000 2.265 55 R HA 0.568 4.914 4.340 0.010 0.000 0.328 55 R C -1.624 174.729 176.300 0.088 0.000 0.969 55 R CA -0.778 55.412 56.100 0.150 0.000 0.832 55 R CB 0.453 30.839 30.300 0.144 0.000 1.139 55 R HN 0.594 8.864 8.270 -0.000 0.000 0.457 56 V N 6.953 126.890 119.914 0.038 0.000 2.385 56 V HA 0.215 4.341 4.120 0.010 0.000 0.269 56 V C -0.365 175.704 176.094 -0.041 0.000 1.043 56 V CA -0.428 61.904 62.300 0.054 0.000 0.906 56 V CB 0.513 32.345 31.823 0.015 0.000 0.995 56 V HN 0.666 8.856 8.190 -0.000 0.000 0.467 57 Y N 3.654 123.982 120.300 0.047 0.000 2.568 57 Y HA 0.253 4.810 4.550 0.011 0.000 0.338 57 Y C 1.010 176.926 175.900 0.027 0.000 1.245 57 Y CA -1.029 57.092 58.100 0.034 0.000 1.667 57 Y CB -0.146 38.332 38.460 0.030 0.000 1.568 57 Y HN 0.772 9.052 8.280 -0.000 0.000 0.471 58 E N -0.006 120.242 120.200 0.081 0.000 2.493 58 E HA 0.060 4.417 4.350 0.010 0.000 0.255 58 E C -0.105 176.544 176.600 0.082 0.000 0.999 58 E CA -0.059 56.381 56.400 0.066 0.000 0.934 58 E CB 0.746 30.460 29.700 0.024 0.000 0.940 58 E HN 0.221 8.581 8.360 -0.000 0.000 0.473 59 S N 2.262 118.009 115.700 0.078 0.000 2.617 59 S HA 0.703 5.179 4.470 0.010 0.000 0.283 59 S C 0.648 175.300 174.600 0.086 0.000 1.189 59 S CA 0.331 58.575 58.200 0.072 0.000 1.036 59 S CB 0.744 63.976 63.200 0.054 0.000 1.014 59 S HN 1.002 9.312 8.310 -0.000 0.000 0.522 60 G N 3.453 112.303 108.800 0.084 0.000 2.936 60 G HA2 -0.187 3.779 3.960 0.010 0.000 0.237 60 G HA3 -0.187 3.779 3.960 0.010 0.000 0.237 60 G C -0.158 174.803 174.900 0.101 0.000 1.403 60 G CA 0.124 45.271 45.100 0.079 0.000 1.011 60 G HN 0.995 9.285 8.290 -0.000 0.000 0.568 61 E N 1.189 121.449 120.200 0.100 0.000 2.397 61 E HA 0.651 5.007 4.350 0.010 0.000 0.254 61 E C -0.062 176.642 176.600 0.172 0.000 1.231 61 E CA -0.027 56.432 56.400 0.098 0.000 0.954 61 E CB 0.957 30.678 29.700 0.035 0.000 1.024 61 E HN 0.609 8.969 8.360 -0.000 0.000 0.481 62 E N 0.167 120.455 120.200 0.146 0.000 2.312 62 E HA 0.500 4.856 4.350 0.010 0.000 0.267 62 E C -1.234 175.453 176.600 0.144 0.000 0.894 62 E CA -1.020 55.488 56.400 0.181 0.000 0.773 62 E CB 1.856 31.641 29.700 0.143 0.000 1.241 62 E HN 0.408 8.768 8.360 -0.000 0.000 0.432 63 I N 0.930 121.604 120.570 0.174 0.000 2.498 63 I HA 0.162 4.338 4.170 0.010 0.000 0.290 63 I C -0.501 175.626 176.117 0.016 0.000 1.032 63 I CA -0.150 61.207 61.300 0.095 0.000 1.073 63 I CB 2.355 40.460 38.000 0.176 0.000 1.251 63 I HN 0.337 8.547 8.210 -0.000 0.000 0.426 64 T N 5.733 120.256 114.554 -0.051 0.000 2.737 64 T HA 0.168 4.524 4.350 0.010 0.000 0.296 64 T C 1.196 175.814 174.700 -0.137 0.000 0.922 64 T CA -0.285 61.748 62.100 -0.111 0.000 1.079 64 T CB 0.957 69.743 68.868 -0.137 0.000 0.892 64 T HN 0.339 8.579 8.240 -0.000 0.000 0.514 65 V N 2.365 122.155 119.914 -0.208 0.000 2.649 65 V HA 0.331 4.457 4.120 0.010 0.000 0.248 65 V C 1.013 177.012 176.094 -0.159 0.000 1.054 65 V CA 0.979 63.142 62.300 -0.229 0.000 1.073 65 V CB -0.335 31.180 31.823 -0.512 0.000 0.699 65 V HN 1.004 9.194 8.190 -0.000 0.000 0.463 66 A N -0.319 122.399 122.820 -0.170 0.000 2.547 66 A HA 0.622 4.949 4.320 0.010 0.000 0.298 66 A C -1.290 176.206 177.584 -0.146 0.000 1.062 66 A CA -0.436 51.533 52.037 -0.113 0.000 0.748 66 A CB 0.892 19.835 19.000 -0.095 0.000 1.288 66 A HN 0.142 8.292 8.150 -0.000 0.000 0.396 67 L N 3.195 124.365 121.223 -0.088 0.000 2.259 67 L HA 0.415 4.761 4.340 0.010 0.000 0.288 67 L C -0.711 176.166 176.870 0.012 0.000 1.051 67 L CA -0.384 54.382 54.840 -0.124 0.000 0.824 67 L CB 0.853 42.819 42.059 -0.155 0.000 1.206 67 L HN 0.658 8.888 8.230 -0.000 0.000 0.429 68 L N 5.000 126.183 121.223 -0.067 0.000 2.326 68 L HA 0.477 4.823 4.340 0.010 0.000 0.278 68 L C 0.585 177.489 176.870 0.058 0.000 1.092 68 L CA -0.507 54.300 54.840 -0.053 0.000 0.810 68 L CB 0.703 42.635 42.059 -0.211 0.000 1.153 68 L HN 0.612 8.842 8.230 -0.000 0.000 0.439 69 R N 2.165 122.638 120.500 -0.045 0.000 2.719 69 R HA 0.454 4.800 4.340 0.010 0.000 0.233 69 R C -0.459 175.791 176.300 -0.084 0.000 1.257 69 R CA -0.770 55.231 56.100 -0.165 0.000 1.109 69 R CB 0.456 30.384 30.300 -0.620 0.000 1.447 69 R HN 0.535 8.805 8.270 -0.000 0.000 0.537 70 E N 0.888 121.033 120.200 -0.091 0.000 2.398 70 E HA -0.046 4.310 4.350 0.010 0.000 0.263 70 E C -0.069 176.514 176.600 -0.028 0.000 1.046 70 E CA 0.097 56.477 56.400 -0.034 0.000 0.908 70 E CB 0.183 29.868 29.700 -0.025 0.000 0.963 70 E HN 0.637 8.997 8.360 -0.000 0.000 0.431 71 N N 0.743 119.442 118.700 -0.001 0.000 2.754 71 N HA -0.164 4.582 4.740 0.010 0.000 0.248 71 N C -1.290 174.231 175.510 0.018 0.000 1.093 71 N CA 0.146 53.200 53.050 0.008 0.000 0.699 71 N CB -0.471 38.022 38.487 0.011 0.000 1.016 71 N HN 0.229 8.609 8.380 -0.000 0.000 0.552 72 S N 0.156 115.881 115.700 0.041 0.000 2.489 72 S HA 0.457 4.933 4.470 0.010 0.000 0.291 72 S C 0.406 175.098 174.600 0.154 0.000 1.151 72 S CA -0.658 57.594 58.200 0.086 0.000 1.082 72 S CB 2.577 65.823 63.200 0.078 0.000 1.019 72 S HN 0.157 8.467 8.310 -0.000 0.000 0.492 73 V N 5.260 125.265 119.914 0.152 0.000 2.530 73 V HA 0.503 4.629 4.120 0.010 0.000 0.282 73 V C -0.149 176.136 176.094 0.319 0.000 1.048 73 V CA -0.053 62.355 62.300 0.180 0.000 0.997 73 V CB -0.388 31.549 31.823 0.190 0.000 0.987 73 V HN 0.812 9.002 8.190 -0.000 0.000 0.477 74 F N 0.628 120.678 119.950 0.166 0.000 2.824 74 F HA 0.873 5.406 4.527 0.010 0.000 0.330 74 F C 0.853 176.856 175.800 0.338 0.000 1.175 74 F CA -0.449 57.664 58.000 0.188 0.000 0.974 74 F CB 1.317 40.375 39.000 0.096 0.000 1.430 74 F HN 0.782 9.082 8.300 -0.000 0.000 0.507 75 G N 0.401 109.467 108.800 0.444 0.000 2.148 75 G HA2 -0.279 3.687 3.960 0.010 0.000 0.254 75 G HA3 -0.279 3.687 3.960 0.010 0.000 0.254 75 G C 0.605 175.604 174.900 0.166 0.000 0.981 75 G CA 0.269 45.573 45.100 0.341 0.000 0.670 75 G HN 1.038 9.328 8.290 -0.000 0.000 0.528 76 V N 0.076 120.102 119.914 0.187 0.000 2.636 76 V HA -0.229 3.897 4.120 0.010 0.000 0.258 76 V C 2.768 178.906 176.094 0.073 0.000 1.092 76 V CA 2.618 64.996 62.300 0.130 0.000 1.110 76 V CB -0.247 31.667 31.823 0.152 0.000 0.685 76 V HN 0.655 8.845 8.190 -0.000 0.000 0.481 77 L N 0.969 122.211 121.223 0.032 0.000 2.081 77 L HA -0.190 4.156 4.340 0.010 0.000 0.212 77 L C 2.716 179.578 176.870 -0.012 0.000 1.080 77 L CA 2.660 57.495 54.840 -0.007 0.000 0.754 77 L CB -0.775 41.215 42.059 -0.116 0.000 0.893 77 L HN 0.567 8.797 8.230 -0.000 0.000 0.433 78 S N -0.877 114.808 115.700 -0.025 0.000 2.400 78 S HA -0.227 4.249 4.470 0.010 0.000 0.232 78 S C 2.012 176.609 174.600 -0.004 0.000 1.025 78 S CA 1.613 59.799 58.200 -0.024 0.000 0.993 78 S CB -1.122 62.060 63.200 -0.030 0.000 0.808 78 S HN 0.565 8.875 8.310 -0.000 0.000 0.478 79 L N 0.782 122.013 121.223 0.013 0.000 2.191 79 L HA 0.095 4.442 4.340 0.010 0.000 0.212 79 L C 0.820 177.699 176.870 0.014 0.000 1.103 79 L CA 0.508 55.358 54.840 0.016 0.000 0.769 79 L CB -0.762 41.316 42.059 0.031 0.000 0.908 79 L HN 0.319 8.549 8.230 -0.000 0.000 0.438 80 L N 1.581 122.816 121.223 0.019 0.000 2.530 80 L HA 0.061 4.407 4.340 0.010 0.000 0.273 80 L C 0.845 177.721 176.870 0.009 0.000 1.141 80 L CA -0.103 54.748 54.840 0.018 0.000 0.905 80 L CB 0.041 42.118 42.059 0.029 0.000 1.202 80 L HN 0.254 8.484 8.230 -0.000 0.000 0.473 85 S N -0.188 115.506 115.700 -0.010 0.000 2.704 85 S HA 0.758 5.235 4.470 0.010 0.000 0.296 85 S C -1.620 172.968 174.600 -0.020 0.000 1.138 85 S CA -0.557 57.641 58.200 -0.003 0.000 0.875 85 S CB 1.937 65.144 63.200 0.013 0.000 1.151 85 S HN 0.684 8.995 8.310 -0.000 0.000 0.500 86 D N 1.176 121.573 120.400 -0.005 0.000 2.185 86 D HA 0.422 5.068 4.640 0.010 0.000 0.247 86 D C -0.232 176.025 176.300 -0.073 0.000 1.027 86 D CA -0.566 53.417 54.000 -0.027 0.000 0.861 86 D CB 0.926 41.728 40.800 0.004 0.000 1.202 86 D HN 0.126 8.496 8.370 -0.000 0.000 0.453 87 R N 0.802 121.191 120.500 -0.185 0.000 2.583 87 R HA 0.033 4.379 4.340 0.010 0.000 0.274 87 R C 0.662 176.842 176.300 -0.199 0.000 0.998 87 R CA 0.419 56.310 56.100 -0.349 0.000 1.081 87 R CB -0.100 30.006 30.300 -0.324 0.000 0.940 87 R HN 0.516 8.786 8.270 -0.000 0.000 0.413 88 F N -0.990 118.853 119.950 -0.178 0.000 2.767 88 F HA 0.408 4.942 4.527 0.011 0.000 0.323 88 F C -0.418 175.306 175.800 -0.125 0.000 1.091 88 F CA -0.857 57.013 58.000 -0.216 0.000 1.192 88 F CB 0.049 38.856 39.000 -0.321 0.000 1.056 88 F HN 0.181 8.481 8.300 -0.000 0.000 0.571 89 Y N 0.953 121.204 120.300 -0.083 0.000 2.568 89 Y HA 0.418 4.974 4.550 0.010 0.000 0.327 89 Y C -0.067 175.971 175.900 0.229 0.000 1.163 89 Y CA -2.329 55.831 58.100 0.099 0.000 1.219 89 Y CB 0.304 38.821 38.460 0.095 0.000 1.308 89 Y HN 0.068 8.348 8.280 -0.000 0.000 0.503 90 H N 0.795 120.009 119.070 0.239 0.000 2.595 90 H HA 0.697 5.259 4.556 0.010 0.000 0.313 90 H C -1.276 174.012 175.328 -0.067 0.000 1.023 90 H CA -0.900 55.233 56.048 0.142 0.000 1.218 90 H CB 0.771 30.626 29.762 0.154 0.000 1.403 90 H HN 0.779 9.059 8.280 -0.000 0.000 0.477 91 A N 5.822 128.380 122.820 -0.436 0.000 2.252 91 A HA 0.501 4.827 4.320 0.010 0.000 0.309 91 A C -0.730 176.450 177.584 -0.673 0.000 1.285 91 A CA -0.488 51.038 52.037 -0.852 0.000 0.900 91 A CB 0.339 18.255 19.000 -1.807 0.000 1.157 91 A HN 0.440 8.590 8.150 -0.000 0.000 0.536 92 V N 1.360 120.925 119.914 -0.581 0.000 2.789 92 V HA 0.691 4.817 4.120 0.010 0.000 0.311 92 V C 0.554 176.480 176.094 -0.281 0.000 1.073 92 V CA -0.735 61.319 62.300 -0.411 0.000 0.921 92 V CB 1.598 33.185 31.823 -0.394 0.000 1.009 92 V HN 1.146 9.336 8.190 -0.000 0.000 0.426 93 A N 2.519 125.229 122.820 -0.184 0.000 2.444 93 A HA 0.380 4.706 4.320 0.010 0.000 0.287 93 A C 0.541 178.099 177.584 -0.044 0.000 1.195 93 A CA 0.000 51.973 52.037 -0.106 0.000 0.858 93 A CB -0.519 18.474 19.000 -0.012 0.000 1.117 93 A HN 0.936 9.086 8.150 -0.000 0.000 0.521 94 F N 3.076 122.921 119.950 -0.175 0.000 2.234 94 F HA -0.008 4.525 4.527 0.010 0.000 0.296 94 F C 1.641 177.367 175.800 -0.123 0.000 1.089 94 F CA 1.905 59.811 58.000 -0.157 0.000 1.343 94 F CB 0.263 39.149 39.000 -0.191 0.000 1.040 94 F HN 0.592 8.892 8.300 -0.000 0.000 0.498 95 T N -2.524 112.023 114.554 -0.012 0.000 2.841 95 T HA 0.502 4.859 4.350 0.010 0.000 0.276 95 T C -2.790 171.892 174.700 -0.031 0.000 1.003 95 T CA -2.379 59.681 62.100 -0.067 0.000 0.995 95 T CB 1.243 70.114 68.868 0.005 0.000 1.260 95 T HN -0.334 7.906 8.240 -0.000 0.000 0.581 96 P HA 0.409 4.829 4.420 -0.000 0.000 0.268 96 P C -1.113 176.207 177.300 0.034 0.000 1.204 96 P CA -0.299 62.807 63.100 0.011 0.000 0.768 96 P CB 0.565 32.266 31.700 0.002 0.000 0.842 97 V N 4.737 124.695 119.914 0.073 0.000 2.604 97 V HA 0.295 4.422 4.120 0.010 0.000 0.305 97 V C -0.143 176.016 176.094 0.108 0.000 1.043 97 V CA -0.497 61.843 62.300 0.066 0.000 0.888 97 V CB 1.890 33.719 31.823 0.011 0.000 0.995 97 V HN 0.447 8.637 8.190 -0.000 0.000 0.429 98 Q N 4.890 124.715 119.800 0.043 0.000 2.322 98 Q HA 0.776 5.122 4.340 0.010 0.000 0.265 98 Q C -1.304 174.663 176.000 -0.054 0.000 0.985 98 Q CA -0.733 55.071 55.803 0.002 0.000 0.849 98 Q CB 2.525 31.227 28.738 -0.062 0.000 1.274 98 Q HN 0.616 8.886 8.270 -0.000 0.000 0.449 99 L N -1.623 119.563 121.223 -0.062 0.000 2.469 99 L HA 0.699 5.046 4.340 0.010 0.000 0.256 99 L C -1.465 175.286 176.870 -0.199 0.000 1.006 99 L CA -0.904 53.881 54.840 -0.093 0.000 0.832 99 L CB 0.935 43.045 42.059 0.084 0.000 1.421 99 L HN 0.312 8.542 8.230 -0.000 0.000 0.410 100 F N 0.550 120.545 119.950 0.074 0.000 2.422 100 F HA 0.825 5.357 4.527 0.009 0.000 0.333 100 F C 0.716 176.581 175.800 0.109 0.000 1.095 100 F CA -0.112 57.952 58.000 0.107 0.000 1.038 100 F CB 2.097 41.184 39.000 0.144 0.000 1.156 100 F HN 0.768 9.068 8.300 -0.000 0.000 0.483 101 S N 1.450 117.320 115.700 0.284 0.000 2.536 101 S HA 0.934 5.410 4.470 0.010 0.000 0.298 101 S C -1.323 173.279 174.600 0.003 0.000 1.083 101 S CA -0.697 57.490 58.200 -0.021 0.000 0.995 101 S CB 1.856 64.947 63.200 -0.182 0.000 1.058 101 S HN 0.387 8.697 8.310 -0.000 0.000 0.488 102 V N 2.450 122.304 119.914 -0.100 0.000 2.760 102 V HA 0.527 4.653 4.120 0.010 0.000 0.309 102 V C -2.671 173.352 176.094 -0.119 0.000 1.077 102 V CA -2.063 60.178 62.300 -0.099 0.000 0.910 102 V CB 1.954 33.733 31.823 -0.072 0.000 1.008 102 V HN 0.789 8.979 8.190 -0.000 0.000 0.424 103 P HA 0.251 4.671 4.420 -0.000 0.000 0.269 103 P C 1.183 178.482 177.300 -0.001 0.000 1.215 103 P CA 0.037 63.113 63.100 -0.040 0.000 0.780 103 P CB 0.858 32.553 31.700 -0.009 0.000 0.898 104 I N 1.344 121.905 120.570 -0.015 0.000 2.163 104 I HA -0.316 3.861 4.170 0.010 0.000 0.243 104 I C 1.620 177.743 176.117 0.010 0.000 1.085 104 I CA 1.962 63.257 61.300 -0.010 0.000 1.347 104 I CB -0.097 37.893 38.000 -0.016 0.000 1.044 104 I HN 0.434 8.644 8.210 -0.000 0.000 0.408 105 E N 0.322 120.537 120.200 0.025 0.000 2.051 105 E HA -0.273 4.083 4.350 0.010 0.000 0.192 105 E C 1.893 178.513 176.600 0.033 0.000 0.991 105 E CA 1.370 57.782 56.400 0.021 0.000 0.799 105 E CB -0.530 29.186 29.700 0.028 0.000 0.748 105 E HN 0.467 8.827 8.360 -0.000 0.000 0.449 106 F N 0.185 120.093 119.950 -0.070 0.000 2.161 106 F HA -0.226 4.308 4.527 0.012 0.000 0.300 106 F C 2.151 177.886 175.800 -0.109 0.000 1.089 106 F CA 1.347 59.297 58.000 -0.083 0.000 1.282 106 F CB 0.029 38.977 39.000 -0.087 0.000 1.010 106 F HN 0.036 8.336 8.300 -0.000 0.000 0.485 107 M N -0.137 119.487 119.600 0.041 0.000 2.160 107 M HA -0.163 4.323 4.480 0.010 0.000 0.264 107 M C 2.215 178.440 176.300 -0.125 0.000 1.073 107 M CA 1.556 56.810 55.300 -0.076 0.000 1.142 107 M CB -0.814 31.744 32.600 -0.070 0.000 1.358 107 M HN 0.234 8.524 8.290 -0.000 0.000 0.422 108 Q N -0.126 119.624 119.800 -0.083 0.000 2.030 108 Q HA -0.265 4.081 4.340 0.010 0.000 0.204 108 Q C 1.997 177.929 176.000 -0.113 0.000 0.986 108 Q CA 2.244 57.999 55.803 -0.079 0.000 0.843 108 Q CB -0.134 28.574 28.738 -0.050 0.000 0.904 108 Q HN 0.256 8.526 8.270 -0.000 0.000 0.420 109 K N 0.524 120.841 120.400 -0.138 0.000 2.001 109 K HA -0.210 4.116 4.320 0.010 0.000 0.214 109 K C 1.851 178.312 176.600 -0.230 0.000 1.050 109 K CA 1.668 57.851 56.287 -0.173 0.000 0.934 109 K CB -0.607 31.775 32.500 -0.197 0.000 0.718 109 K HN 0.227 8.477 8.250 -0.000 0.000 0.443 110 A N 0.772 123.382 122.820 -0.349 0.000 1.903 110 A HA -0.205 4.122 4.320 0.010 0.000 0.219 110 A C 2.267 179.723 177.584 -0.214 0.000 1.191 110 A CA 2.094 53.913 52.037 -0.363 0.000 0.638 110 A CB -0.953 17.773 19.000 -0.457 0.000 0.823 110 A HN 0.384 8.534 8.150 -0.000 0.000 0.451 111 L N -1.497 119.624 121.223 -0.170 0.000 2.201 111 L HA -0.137 4.209 4.340 0.010 0.000 0.212 111 L C 2.254 179.069 176.870 -0.092 0.000 1.105 111 L CA 0.651 55.423 54.840 -0.114 0.000 0.775 111 L CB -0.336 41.668 42.059 -0.090 0.000 0.913 111 L HN 0.324 8.554 8.230 -0.000 0.000 0.440 112 I N -0.578 119.932 120.570 -0.100 0.000 2.585 112 I HA -0.138 4.038 4.170 0.010 0.000 0.254 112 I C 2.378 178.446 176.117 -0.081 0.000 1.129 112 I CA 1.161 62.414 61.300 -0.079 0.000 1.455 112 I CB -0.141 37.816 38.000 -0.072 0.000 1.111 112 I HN 0.143 8.353 8.210 -0.000 0.000 0.433 113 E N 0.076 120.213 120.200 -0.105 0.000 2.028 113 E HA -0.097 4.260 4.350 0.010 0.000 0.190 113 E C 1.285 177.832 176.600 -0.087 0.000 0.984 113 E CA 0.553 56.893 56.400 -0.099 0.000 0.800 113 E CB 0.103 29.726 29.700 -0.129 0.000 0.758 113 E HN 0.150 8.510 8.360 -0.000 0.000 0.448 114 R N 1.505 121.945 120.500 -0.100 0.000 2.505 114 R HA 0.159 4.505 4.340 0.010 0.000 0.284 114 R C -2.491 173.766 176.300 -0.071 0.000 1.324 114 R CA -1.823 54.228 56.100 -0.081 0.000 1.432 114 R CB 0.794 31.040 30.300 -0.089 0.000 1.107 114 R HN -0.088 8.182 8.270 -0.000 0.000 0.587 115 P HA 0.214 4.634 4.420 -0.000 0.000 0.214 115 P C -0.893 176.386 177.300 -0.034 0.000 1.807 115 P CA -0.063 63.009 63.100 -0.046 0.000 0.921 115 P CB 0.714 32.391 31.700 -0.039 0.000 1.835 116 E N -0.693 119.487 120.200 -0.034 0.000 2.572 116 E HA 0.108 4.464 4.350 0.010 0.000 0.220 116 E C 0.889 177.478 176.600 -0.019 0.000 0.945 116 E CA 0.036 56.422 56.400 -0.022 0.000 1.070 116 E CB -0.123 29.566 29.700 -0.019 0.000 1.090 116 E HN 0.042 8.402 8.360 -0.000 0.000 0.506 117 L N 0.319 121.523 121.223 -0.031 0.000 2.612 117 L HA 0.346 4.692 4.340 0.010 0.000 0.230 117 L C 1.653 178.513 176.870 -0.017 0.000 1.140 117 L CA 0.430 55.254 54.840 -0.027 0.000 0.896 117 L CB -1.274 40.753 42.059 -0.055 0.000 1.065 117 L HN 0.158 8.388 8.230 -0.000 0.000 0.447 118 A N 0.107 122.918 122.820 -0.014 0.000 1.984 118 A HA -0.107 4.219 4.320 0.010 0.000 0.214 118 A C 2.151 179.742 177.584 0.012 0.000 1.173 118 A CA 0.842 52.876 52.037 -0.005 0.000 0.673 118 A CB -0.404 18.590 19.000 -0.011 0.000 0.830 118 A HN 0.453 8.603 8.150 -0.000 0.000 0.453 119 N N 1.112 119.819 118.700 0.012 0.000 2.094 119 N HA -0.165 4.581 4.740 0.010 0.000 0.191 119 N C 1.564 177.093 175.510 0.032 0.000 1.023 119 N CA 2.277 55.339 53.050 0.019 0.000 0.857 119 N CB -0.257 38.239 38.487 0.014 0.000 1.013 119 N HN 0.239 8.619 8.380 -0.000 0.000 0.426 120 V N 1.235 121.172 119.914 0.039 0.000 2.379 120 V HA -0.129 3.998 4.120 0.010 0.000 0.245 120 V C 2.744 178.885 176.094 0.079 0.000 1.044 120 V CA 1.111 63.447 62.300 0.059 0.000 1.036 120 V CB -0.452 31.414 31.823 0.071 0.000 0.664 120 V HN 0.257 8.447 8.190 -0.000 0.000 0.453 121 M N -0.416 119.231 119.600 0.078 0.000 2.117 121 M HA -0.106 4.380 4.480 0.010 0.000 0.262 121 M C 2.271 178.616 176.300 0.074 0.000 1.065 121 M CA 1.791 57.148 55.300 0.093 0.000 1.114 121 M CB -0.991 31.651 32.600 0.071 0.000 1.361 121 M HN 0.296 8.586 8.290 -0.000 0.000 0.408 122 L N -0.400 120.854 121.223 0.052 0.000 2.083 122 L HA -0.260 4.086 4.340 0.010 0.000 0.209 122 L C 2.526 179.424 176.870 0.047 0.000 1.083 122 L CA 1.384 56.251 54.840 0.044 0.000 0.752 122 L CB -0.511 41.566 42.059 0.031 0.000 0.899 122 L HN 0.432 8.662 8.230 -0.000 0.000 0.433 123 Q N -0.728 119.101 119.800 0.048 0.000 2.083 123 Q HA -0.103 4.243 4.340 0.010 0.000 0.198 123 Q C 2.278 178.310 176.000 0.054 0.000 0.969 123 Q CA 1.246 57.076 55.803 0.045 0.000 0.838 123 Q CB -0.303 28.459 28.738 0.041 0.000 0.900 123 Q HN 0.576 8.846 8.270 -0.000 0.000 0.436 124 G N 0.872 109.714 108.800 0.070 0.000 2.446 124 G HA2 -0.253 3.714 3.960 0.010 0.000 0.217 124 G HA3 -0.253 3.714 3.960 0.010 0.000 0.217 124 G C 1.277 176.226 174.900 0.082 0.000 1.168 124 G CA 0.709 45.858 45.100 0.082 0.000 0.771 124 G HN 0.132 8.422 8.290 -0.000 0.000 0.551 125 L N 1.072 122.346 121.223 0.084 0.000 2.056 125 L HA 0.033 4.379 4.340 0.010 0.000 0.207 125 L C 3.142 180.051 176.870 0.065 0.000 1.078 125 L CA 1.593 56.482 54.840 0.082 0.000 0.749 125 L CB -0.759 41.347 42.059 0.080 0.000 0.901 125 L HN 0.151 8.381 8.230 -0.000 0.000 0.433 126 S N -1.288 114.445 115.700 0.054 0.000 2.370 126 S HA -0.240 4.236 4.470 0.010 0.000 0.226 126 S C 2.259 176.883 174.600 0.040 0.000 1.033 126 S CA 1.587 59.813 58.200 0.043 0.000 1.011 126 S CB -0.390 62.831 63.200 0.036 0.000 0.852 126 S HN 0.470 8.780 8.310 -0.000 0.000 0.457 127 S N 0.955 116.680 115.700 0.041 0.000 2.356 127 S HA -0.080 4.396 4.470 0.010 0.000 0.223 127 S C 2.030 176.652 174.600 0.036 0.000 1.032 127 S CA 0.869 59.089 58.200 0.033 0.000 1.005 127 S CB -0.191 63.026 63.200 0.029 0.000 0.867 127 S HN 0.360 8.670 8.310 -0.000 0.000 0.449 128 R N 0.688 121.219 120.500 0.051 0.000 2.120 128 R HA 0.011 4.357 4.340 0.010 0.000 0.234 128 R C 2.213 178.546 176.300 0.055 0.000 1.123 128 R CA 1.195 57.330 56.100 0.058 0.000 0.975 128 R CB -0.711 29.640 30.300 0.085 0.000 0.866 128 R HN 0.546 8.816 8.270 -0.000 0.000 0.446 129 I N 0.718 121.320 120.570 0.053 0.000 2.202 129 I HA -0.257 3.919 4.170 0.010 0.000 0.242 129 I C 2.377 178.516 176.117 0.037 0.000 1.091 129 I CA 1.215 62.544 61.300 0.048 0.000 1.368 129 I CB -0.486 37.541 38.000 0.045 0.000 1.058 129 I HN 0.080 8.290 8.210 -0.000 0.000 0.410 130 L N 0.292 121.533 121.223 0.031 0.000 2.131 130 L HA -0.223 4.123 4.340 0.010 0.000 0.210 130 L C 2.658 179.542 176.870 0.023 0.000 1.092 130 L CA 1.507 56.361 54.840 0.024 0.000 0.759 130 L CB -0.561 41.511 42.059 0.020 0.000 0.903 130 L HN 0.381 8.611 8.230 -0.000 0.000 0.435 131 Q N -0.889 118.925 119.800 0.024 0.000 2.137 131 Q HA -0.113 4.233 4.340 0.010 0.000 0.198 131 Q C 2.157 178.175 176.000 0.030 0.000 0.960 131 Q CA 1.714 57.529 55.803 0.021 0.000 0.847 131 Q CB -0.027 28.718 28.738 0.012 0.000 0.915 131 Q HN 0.459 8.729 8.270 -0.000 0.000 0.448 132 T N 1.171 115.747 114.554 0.036 0.000 2.833 132 T HA -0.136 4.220 4.350 0.010 0.000 0.269 132 T C 1.369 176.088 174.700 0.032 0.000 1.054 132 T CA 1.154 63.277 62.100 0.038 0.000 1.135 132 T CB -0.100 68.798 68.868 0.050 0.000 0.869 132 T HN 0.313 8.553 8.240 -0.000 0.000 0.466 133 E N 0.553 120.769 120.200 0.027 0.000 2.204 133 E HA -0.006 4.350 4.350 0.010 0.000 0.194 133 E C 2.193 178.801 176.600 0.012 0.000 0.989 133 E CA 0.637 57.047 56.400 0.017 0.000 0.824 133 E CB -0.101 29.608 29.700 0.015 0.000 0.756 133 E HN 0.397 8.757 8.360 -0.000 0.000 0.477 134 M N -0.203 119.411 119.600 0.024 0.000 2.117 134 M HA -0.137 4.350 4.480 0.010 0.000 0.262 134 M C 2.326 178.651 176.300 0.041 0.000 1.065 134 M CA 1.191 56.511 55.300 0.033 0.000 1.114 134 M CB -0.410 32.218 32.600 0.046 0.000 1.361 134 M HN 0.212 8.502 8.290 -0.000 0.000 0.408 135 M N 0.582 120.211 119.600 0.048 0.000 2.296 135 M HA -0.068 4.418 4.480 0.010 0.000 0.265 135 M C 1.767 178.077 176.300 0.017 0.000 1.064 135 M CA 1.406 56.739 55.300 0.055 0.000 1.109 135 M CB -0.364 32.266 32.600 0.050 0.000 1.396 135 M HN 0.129 8.419 8.290 -0.000 0.000 0.430 136 I N -0.807 119.764 120.570 0.001 0.000 2.252 136 I HA -0.254 3.922 4.170 0.010 0.000 0.245 136 I C 1.915 177.993 176.117 -0.066 0.000 1.102 136 I CA 1.227 62.512 61.300 -0.025 0.000 1.385 136 I CB -0.879 37.109 38.000 -0.021 0.000 1.064 136 I HN 0.338 8.548 8.210 -0.000 0.000 0.414 137 E N 0.689 120.846 120.200 -0.071 0.000 2.118 137 E HA -0.184 4.172 4.350 0.010 0.000 0.195 137 E C 2.079 178.557 176.600 -0.204 0.000 0.992 137 E CA 1.850 58.157 56.400 -0.155 0.000 0.804 137 E CB -0.161 29.474 29.700 -0.109 0.000 0.741 137 E HN 0.510 8.870 8.360 -0.000 0.000 0.458 138 T N 1.529 116.059 114.554 -0.040 0.000 2.612 138 T HA -0.115 4.241 4.350 0.010 0.000 0.259 138 T C 1.731 176.461 174.700 0.050 0.000 1.065 138 T CA 0.666 62.813 62.100 0.078 0.000 1.167 138 T CB -0.304 68.643 68.868 0.132 0.000 0.863 138 T HN -0.013 8.227 8.240 -0.000 0.000 0.407 139 L N 1.469 122.690 121.223 -0.002 0.000 2.263 139 L HA -0.030 4.316 4.340 0.010 0.000 0.216 139 L C 2.652 179.496 176.870 -0.043 0.000 1.111 139 L CA 1.066 55.892 54.840 -0.022 0.000 0.773 139 L CB -1.412 40.627 42.059 -0.034 0.000 0.906 139 L HN 0.292 8.522 8.230 -0.000 0.000 0.439 140 A N -1.728 121.030 122.820 -0.104 0.000 1.933 140 A HA -0.168 4.158 4.320 0.010 0.000 0.218 140 A C 0.899 178.389 177.584 -0.157 0.000 1.175 140 A CA 0.494 52.438 52.037 -0.155 0.000 0.628 140 A CB -0.948 17.912 19.000 -0.234 0.000 0.814 140 A HN 0.480 8.630 8.150 -0.000 0.000 0.444 141 H N -0.318 118.696 119.070 -0.094 0.000 3.034 141 H HA 0.116 4.678 4.556 0.010 0.000 0.324 141 H C 1.325 176.619 175.328 -0.056 0.000 1.015 141 H CA 0.331 56.325 56.048 -0.091 0.000 1.429 141 H CB 0.579 30.271 29.762 -0.115 0.000 1.429 141 H HN 0.345 8.625 8.280 -0.000 0.000 0.585 142 R N 1.651 122.202 120.500 0.086 0.000 2.193 142 R HA -0.048 4.299 4.340 0.010 0.000 0.213 142 R C 0.117 176.442 176.300 0.040 0.000 1.055 142 R CA 0.521 56.645 56.100 0.041 0.000 0.995 142 R CB 0.224 30.538 30.300 0.024 0.000 0.893 142 R HN 0.586 8.856 8.270 -0.000 0.000 0.459 143 D N 0.661 121.094 120.400 0.055 0.000 2.249 143 D HA 0.029 4.676 4.640 0.010 0.000 0.246 143 D C 0.656 176.961 176.300 0.008 0.000 1.114 143 D CA -0.206 53.807 54.000 0.022 0.000 0.854 143 D CB 1.498 42.306 40.800 0.014 0.000 1.132 143 D HN -0.184 8.186 8.370 -0.000 0.000 0.461 144 M N 3.556 123.156 119.600 0.001 0.000 2.175 144 M HA 0.038 4.525 4.480 0.010 0.000 0.264 144 M C 1.899 178.194 176.300 -0.007 0.000 1.063 144 M CA 1.606 56.902 55.300 -0.005 0.000 1.119 144 M CB -0.578 32.016 32.600 -0.012 0.000 1.377 144 M HN 0.561 8.851 8.290 -0.000 0.000 0.415 145 G N -1.438 107.357 108.800 -0.007 0.000 2.440 145 G HA2 -0.213 3.754 3.960 0.010 0.000 0.218 145 G HA3 -0.213 3.754 3.960 0.010 0.000 0.218 145 G C 1.550 176.450 174.900 0.000 0.000 1.154 145 G CA 1.207 46.305 45.100 -0.003 0.000 0.767 145 G HN 0.527 8.817 8.290 -0.000 0.000 0.552 146 S N 0.255 115.930 115.700 -0.042 0.000 2.368 146 S HA -0.085 4.391 4.470 0.010 0.000 0.225 146 S C 2.341 176.863 174.600 -0.129 0.000 1.030 146 S CA 1.213 59.336 58.200 -0.129 0.000 0.999 146 S CB -0.222 62.714 63.200 -0.440 0.000 0.844 146 S HN 0.362 8.672 8.310 -0.000 0.000 0.459 147 R N 0.886 121.343 120.500 -0.071 0.000 2.094 147 R HA -0.070 4.276 4.340 0.010 0.000 0.239 147 R C 2.329 178.698 176.300 0.114 0.000 1.137 147 R CA 1.416 57.544 56.100 0.047 0.000 0.943 147 R CB -0.641 29.677 30.300 0.031 0.000 0.850 147 R HN 0.336 8.606 8.270 -0.000 0.000 0.433 148 L N 0.187 121.461 121.223 0.085 0.000 1.955 148 L HA -0.248 4.098 4.340 0.010 0.000 0.213 148 L C 2.137 179.107 176.870 0.165 0.000 1.072 148 L CA 1.727 56.642 54.840 0.126 0.000 0.755 148 L CB -0.437 41.655 42.059 0.055 0.000 0.888 148 L HN 0.136 8.366 8.230 -0.000 0.000 0.432 149 V N -0.635 119.354 119.914 0.124 0.000 2.282 149 V HA -0.354 3.772 4.120 0.010 0.000 0.249 149 V C 2.806 179.033 176.094 0.221 0.000 1.057 149 V CA 2.083 64.451 62.300 0.113 0.000 1.032 149 V CB -0.581 31.276 31.823 0.057 0.000 0.645 149 V HN 0.601 8.791 8.190 -0.000 0.000 0.447 150 S N -0.759 115.198 115.700 0.427 0.000 2.359 150 S HA -0.250 4.226 4.470 0.010 0.000 0.224 150 S C 1.937 176.726 174.600 0.316 0.000 1.035 150 S CA 2.169 60.673 58.200 0.507 0.000 1.018 150 S CB -0.473 62.902 63.200 0.292 0.000 0.876 150 S HN 0.557 8.867 8.310 -0.000 0.000 0.448 151 F N 2.078 122.095 119.950 0.112 0.000 2.102 151 F HA 0.039 4.572 4.527 0.010 0.000 0.298 151 F C 1.916 177.748 175.800 0.054 0.000 1.105 151 F CA 1.444 59.483 58.000 0.064 0.000 1.239 151 F CB -0.717 38.300 39.000 0.028 0.000 0.991 151 F HN 0.202 8.502 8.300 -0.000 0.000 0.474 152 L N -0.208 120.994 121.223 -0.035 0.000 2.043 152 L HA -0.295 4.051 4.340 0.010 0.000 0.212 152 L C 2.584 179.373 176.870 -0.135 0.000 1.075 152 L CA 1.474 56.224 54.840 -0.151 0.000 0.752 152 L CB -0.892 41.137 42.059 -0.050 0.000 0.891 152 L HN 0.238 8.468 8.230 -0.000 0.000 0.432 153 L N -0.610 120.586 121.223 -0.045 0.000 2.046 153 L HA -0.253 4.093 4.340 0.010 0.000 0.208 153 L C 2.498 179.344 176.870 -0.040 0.000 1.077 153 L CA 1.344 56.165 54.840 -0.032 0.000 0.747 153 L CB -0.390 41.677 42.059 0.013 0.000 0.896 153 L HN 0.238 8.468 8.230 -0.000 0.000 0.432 154 I N -0.224 120.323 120.570 -0.039 0.000 2.163 154 I HA -0.340 3.837 4.170 0.010 0.000 0.243 154 I C 2.387 178.445 176.117 -0.099 0.000 1.085 154 I CA 1.446 62.715 61.300 -0.051 0.000 1.347 154 I CB -0.250 37.741 38.000 -0.014 0.000 1.044 154 I HN 0.235 8.445 8.210 -0.000 0.000 0.408 155 L N -0.358 120.752 121.223 -0.189 0.000 2.191 155 L HA -0.239 4.107 4.340 0.010 0.000 0.212 155 L C 2.618 179.498 176.870 0.015 0.000 1.103 155 L CA 0.881 55.687 54.840 -0.057 0.000 0.769 155 L CB -0.670 41.227 42.059 -0.270 0.000 0.908 155 L HN 0.432 8.662 8.230 -0.000 0.000 0.438 156 C N -0.242 119.026 119.300 -0.053 0.000 2.446 156 C HA -0.127 4.339 4.460 0.010 0.000 0.277 156 C C 3.420 178.381 174.990 -0.048 0.000 1.275 156 C CA 1.223 60.217 59.018 -0.039 0.000 1.727 156 C CB -1.132 26.578 27.740 -0.051 0.000 2.010 156 C HN 0.597 8.827 8.230 -0.000 0.000 0.486 157 R N 0.914 121.372 120.500 -0.068 0.000 2.066 157 R HA -0.131 4.215 4.340 0.010 0.000 0.232 157 R C 1.680 177.884 176.300 -0.160 0.000 1.131 157 R CA 2.278 58.324 56.100 -0.089 0.000 0.955 157 R CB -1.272 28.983 30.300 -0.075 0.000 0.851 157 R HN 0.563 8.833 8.270 -0.000 0.000 0.432 158 D N -0.977 119.273 120.400 -0.250 0.000 2.162 158 D HA 0.057 4.703 4.640 0.010 0.000 0.205 158 D C 0.502 176.307 176.300 -0.825 0.000 0.964 158 D CA 1.123 54.767 54.000 -0.594 0.000 0.847 158 D CB 0.105 40.430 40.800 -0.790 0.000 0.988 158 D HN 0.516 8.886 8.370 -0.000 0.000 0.480 159 F N -0.373 119.530 119.950 -0.078 0.000 2.775 159 F HA 0.377 4.910 4.527 0.010 0.000 0.313 159 F C 1.133 176.902 175.800 -0.052 0.000 1.121 159 F CA -0.711 57.252 58.000 -0.061 0.000 1.206 159 F CB 0.610 39.570 39.000 -0.068 0.000 1.052 159 F HN -0.245 8.055 8.300 -0.000 0.000 0.524 160 G N 1.636 110.464 108.800 0.048 0.000 2.415 160 G HA2 0.484 4.450 3.960 0.010 0.000 0.269 160 G HA3 0.484 4.450 3.960 0.010 0.000 0.269 160 G C -0.345 174.566 174.900 0.019 0.000 1.209 160 G CA -0.145 44.971 45.100 0.026 0.000 0.835 160 G HN -0.033 8.257 8.290 -0.000 0.000 0.534 161 I N 2.951 123.534 120.570 0.022 0.000 2.525 161 I HA 0.378 4.555 4.170 0.010 0.000 0.301 161 I C -1.733 174.393 176.117 0.013 0.000 0.992 161 I CA -2.782 58.529 61.300 0.019 0.000 1.162 161 I CB 1.703 39.718 38.000 0.026 0.000 1.332 161 I HN 0.318 8.528 8.210 -0.000 0.000 0.458 162 P HA 0.193 4.613 4.420 -0.000 0.000 0.273 162 P C -0.665 176.648 177.300 0.023 0.000 1.250 162 P CA -0.159 62.950 63.100 0.015 0.000 0.793 162 P CB 1.260 32.967 31.700 0.012 0.000 1.011 163 S N 0.012 115.729 115.700 0.029 0.000 2.606 163 S HA 0.302 4.778 4.470 0.010 0.000 0.290 163 S C -2.282 172.349 174.600 0.051 0.000 1.103 163 S CA -0.899 57.326 58.200 0.042 0.000 0.870 163 S CB 0.749 63.980 63.200 0.053 0.000 1.077 163 S HN 0.196 8.506 8.310 -0.000 0.000 0.448 164 P HA -0.137 4.283 4.420 -0.000 0.000 0.218 164 P C 0.492 177.819 177.300 0.046 0.000 1.165 164 P CA 1.700 64.821 63.100 0.034 0.000 0.922 164 P CB -0.086 31.627 31.700 0.022 0.000 0.794 165 D N -1.538 118.912 120.400 0.085 0.000 2.350 165 D HA 0.212 4.858 4.640 0.010 0.000 0.213 165 D C 1.448 177.854 176.300 0.176 0.000 1.031 165 D CA 0.944 55.009 54.000 0.107 0.000 0.861 165 D CB 0.658 41.496 40.800 0.064 0.000 0.926 165 D HN 0.314 8.684 8.370 -0.000 0.000 0.520 166 G N -0.507 108.380 108.800 0.144 0.000 2.623 166 G HA2 0.381 4.347 3.960 0.010 0.000 0.085 166 G HA3 0.381 4.347 3.960 0.010 0.000 0.085 166 G C -1.585 173.338 174.900 0.038 0.000 1.116 166 G CA -0.551 44.607 45.100 0.095 0.000 1.200 166 G HN 0.020 8.310 8.290 -0.000 0.000 0.556 167 I N 0.444 121.012 120.570 -0.004 0.000 2.722 167 I HA 0.549 4.725 4.170 0.010 0.000 0.295 167 I C -0.692 175.402 176.117 -0.039 0.000 1.161 167 I CA -0.312 60.978 61.300 -0.017 0.000 1.032 167 I CB 2.621 40.607 38.000 -0.024 0.000 1.244 167 I HN 0.314 8.524 8.210 -0.000 0.000 0.421 168 T N 6.291 120.836 114.554 -0.015 0.000 2.788 168 T HA 0.571 4.927 4.350 0.010 0.000 0.296 168 T C 0.113 174.814 174.700 0.001 0.000 1.009 168 T CA -0.310 61.781 62.100 -0.015 0.000 0.949 168 T CB 0.168 69.041 68.868 0.009 0.000 0.946 168 T HN 0.235 8.475 8.240 -0.000 0.000 0.453 169 I N 3.165 123.728 120.570 -0.011 0.000 2.662 169 I HA 0.010 4.186 4.170 0.010 0.000 0.285 169 I C 0.872 177.003 176.117 0.023 0.000 1.161 169 I CA 0.115 61.423 61.300 0.013 0.000 1.415 169 I CB 0.295 38.277 38.000 -0.030 0.000 1.385 169 I HN 0.509 8.719 8.210 -0.000 0.000 0.552 170 D N 8.284 128.723 120.400 0.066 0.000 3.057 170 D HA 0.362 5.008 4.640 0.010 0.000 0.246 170 D C -0.707 175.607 176.300 0.022 0.000 1.238 170 D CA 0.141 54.172 54.000 0.053 0.000 0.949 170 D CB -0.148 40.702 40.800 0.083 0.000 1.086 170 D HN 0.301 8.671 8.370 -0.000 0.000 0.487 171 L N 0.134 121.349 121.223 -0.014 0.000 2.445 171 L HA 0.466 4.812 4.340 0.010 0.000 0.262 171 L C 0.416 177.288 176.870 0.002 0.000 0.974 171 L CA -1.284 53.547 54.840 -0.016 0.000 0.822 171 L CB 1.833 43.853 42.059 -0.066 0.000 1.339 171 L HN -0.126 8.104 8.230 -0.000 0.000 0.409 172 K N 3.780 124.162 120.400 -0.029 0.000 2.228 172 K HA 0.500 4.826 4.320 0.010 0.000 0.284 172 K C -0.700 175.900 176.600 -0.000 0.000 1.088 172 K CA 0.165 56.419 56.287 -0.056 0.000 0.941 172 K CB -0.302 32.119 32.500 -0.132 0.000 1.158 172 K HN 0.526 8.776 8.250 -0.000 0.000 0.438 173 L N 3.577 124.842 121.223 0.070 0.000 2.277 173 L HA 0.236 4.582 4.340 0.010 0.000 0.284 173 L C 0.768 177.715 176.870 0.129 0.000 1.028 173 L CA -0.811 54.127 54.840 0.163 0.000 0.835 173 L CB 1.478 43.628 42.059 0.151 0.000 1.215 173 L HN 0.870 9.100 8.230 -0.000 0.000 0.425 174 S N 0.650 116.415 115.700 0.107 0.000 2.579 174 S HA 0.086 4.562 4.470 0.010 0.000 0.275 174 S C 1.061 175.771 174.600 0.183 0.000 1.345 174 S CA -0.293 57.947 58.200 0.067 0.000 1.031 174 S CB 0.639 63.852 63.200 0.023 0.000 0.892 174 S HN 0.636 8.946 8.310 -0.000 0.000 0.529 175 H N 0.384 119.475 119.070 0.034 0.000 2.423 175 H HA -0.103 4.459 4.556 0.010 0.000 0.297 175 H C 2.171 177.514 175.328 0.025 0.000 1.075 175 H CA 1.254 57.321 56.048 0.032 0.000 1.342 175 H CB 0.057 29.831 29.762 0.019 0.000 1.395 175 H HN 0.666 8.946 8.280 -0.000 0.000 0.530 176 Q N 1.496 121.381 119.800 0.141 0.000 2.084 176 Q HA -0.115 4.231 4.340 0.010 0.000 0.202 176 Q C 2.426 178.468 176.000 0.071 0.000 0.978 176 Q CA 1.672 57.523 55.803 0.079 0.000 0.844 176 Q CB -0.406 28.363 28.738 0.051 0.000 0.898 176 Q HN 0.429 8.699 8.270 -0.000 0.000 0.426 177 A N 0.433 123.316 122.820 0.105 0.000 1.865 177 A HA -0.189 4.137 4.320 0.010 0.000 0.217 177 A C 2.205 179.822 177.584 0.054 0.000 1.191 177 A CA 1.782 53.893 52.037 0.123 0.000 0.623 177 A CB -0.948 18.205 19.000 0.254 0.000 0.826 177 A HN 0.487 8.637 8.150 -0.000 0.000 0.444 178 I N -0.174 120.450 120.570 0.091 0.000 2.208 178 I HA -0.322 3.854 4.170 0.010 0.000 0.245 178 I C 2.969 179.017 176.117 -0.115 0.000 1.097 178 I CA 1.096 62.413 61.300 0.028 0.000 1.363 178 I CB -0.429 37.642 38.000 0.118 0.000 1.051 178 I HN 0.379 8.589 8.210 -0.000 0.000 0.413 179 A N 0.628 123.423 122.820 -0.042 0.000 1.883 179 A HA -0.243 4.083 4.320 0.010 0.000 0.217 179 A C 2.161 179.686 177.584 -0.099 0.000 1.186 179 A CA 1.866 53.866 52.037 -0.061 0.000 0.624 179 A CB -0.628 18.365 19.000 -0.012 0.000 0.822 179 A HN 0.491 8.641 8.150 -0.000 0.000 0.444 180 E N -0.654 119.498 120.200 -0.081 0.000 2.418 180 E HA 0.105 4.462 4.350 0.010 0.000 0.197 180 E C 1.883 178.392 176.600 -0.152 0.000 1.026 180 E CA 0.494 56.845 56.400 -0.082 0.000 0.862 180 E CB -0.105 29.578 29.700 -0.029 0.000 0.799 180 E HN 0.649 9.009 8.360 -0.000 0.000 0.518 181 A N 1.196 123.850 122.820 -0.277 0.000 1.973 181 A HA 0.053 4.379 4.320 0.010 0.000 0.210 181 A C 2.047 179.342 177.584 -0.482 0.000 1.200 181 A CA 0.157 51.924 52.037 -0.449 0.000 0.707 181 A CB -0.179 18.330 19.000 -0.818 0.000 0.862 181 A HN 0.317 8.467 8.150 -0.000 0.000 0.461 182 I N -4.298 115.995 120.570 -0.462 0.000 3.956 182 I HA 0.476 4.652 4.170 0.010 0.000 0.333 182 I C 1.003 177.020 176.117 -0.165 0.000 1.302 182 I CA 0.478 61.589 61.300 -0.315 0.000 1.122 182 I CB 0.021 37.849 38.000 -0.288 0.000 1.013 182 I HN 0.331 8.541 8.210 -0.000 0.000 0.405 183 G N 1.843 110.555 108.800 -0.147 0.000 2.256 183 G HA2 -0.257 3.709 3.960 0.010 0.000 0.272 183 G HA3 -0.257 3.709 3.960 0.010 0.000 0.272 183 G C -0.019 174.834 174.900 -0.078 0.000 1.076 183 G CA 0.478 45.520 45.100 -0.097 0.000 0.882 183 G HN 0.664 8.954 8.290 -0.000 0.000 0.497 184 S N -1.600 114.053 115.700 -0.079 0.000 2.971 184 S HA 0.926 5.402 4.470 0.010 0.000 0.320 184 S C 0.351 174.924 174.600 -0.045 0.000 1.111 184 S CA 0.878 59.044 58.200 -0.057 0.000 0.870 184 S CB 1.703 64.870 63.200 -0.054 0.000 1.331 184 S HN 1.595 9.905 8.310 -0.000 0.000 0.635 185 T N -0.826 113.710 114.554 -0.030 0.000 2.924 185 T HA 0.509 4.865 4.350 0.010 0.000 0.291 185 T C 0.867 175.567 174.700 0.001 0.000 1.045 185 T CA -0.756 61.335 62.100 -0.015 0.000 1.015 185 T CB 1.541 70.401 68.868 -0.012 0.000 1.103 185 T HN 0.494 8.734 8.240 -0.000 0.000 0.496 186 R N 0.596 121.108 120.500 0.020 0.000 2.091 186 R HA -0.064 4.282 4.340 0.010 0.000 0.238 186 R C 2.058 178.393 176.300 0.058 0.000 1.136 186 R CA 1.416 57.549 56.100 0.055 0.000 0.959 186 R CB -1.000 29.335 30.300 0.059 0.000 0.856 186 R HN 0.635 8.905 8.270 -0.000 0.000 0.437 187 V N 0.544 120.479 119.914 0.036 0.000 2.332 187 V HA -0.264 3.863 4.120 0.010 0.000 0.248 187 V C 2.142 178.245 176.094 0.015 0.000 1.055 187 V CA 2.391 64.709 62.300 0.031 0.000 1.038 187 V CB -0.462 31.372 31.823 0.018 0.000 0.651 187 V HN 0.487 8.677 8.190 -0.000 0.000 0.450 188 T N -0.924 113.630 114.554 -0.000 0.000 2.857 188 T HA -0.118 4.238 4.350 0.010 0.000 0.266 188 T C 1.884 176.563 174.700 -0.036 0.000 1.048 188 T CA 1.400 63.491 62.100 -0.015 0.000 1.139 188 T CB -0.160 68.697 68.868 -0.018 0.000 0.874 188 T HN 0.298 8.538 8.240 -0.000 0.000 0.455 189 V N 1.791 121.675 119.914 -0.050 0.000 2.261 189 V HA -0.200 3.926 4.120 0.010 0.000 0.246 189 V C 2.866 178.824 176.094 -0.226 0.000 1.047 189 V CA 2.061 64.288 62.300 -0.122 0.000 1.015 189 V CB -1.195 30.560 31.823 -0.114 0.000 0.642 189 V HN 0.492 8.682 8.190 -0.000 0.000 0.446 190 T N -0.571 113.891 114.554 -0.152 0.000 2.720 190 T HA -0.243 4.113 4.350 0.010 0.000 0.268 190 T C 2.072 176.749 174.700 -0.039 0.000 1.037 190 T CA 1.766 63.823 62.100 -0.070 0.000 1.144 190 T CB -0.254 68.750 68.868 0.227 0.000 0.864 190 T HN 0.344 8.584 8.240 -0.000 0.000 0.444 191 R N 0.428 120.915 120.500 -0.022 0.000 2.062 191 R HA 0.027 4.373 4.340 0.010 0.000 0.231 191 R C 2.440 178.723 176.300 -0.028 0.000 1.136 191 R CA 1.184 57.277 56.100 -0.012 0.000 0.948 191 R CB -0.465 29.832 30.300 -0.005 0.000 0.845 191 R HN 0.372 8.642 8.270 -0.000 0.000 0.430 192 L N 0.813 122.009 121.223 -0.045 0.000 2.093 192 L HA -0.168 4.178 4.340 0.010 0.000 0.208 192 L C 2.490 179.332 176.870 -0.047 0.000 1.085 192 L CA 0.881 55.697 54.840 -0.039 0.000 0.755 192 L CB -0.295 41.741 42.059 -0.038 0.000 0.904 192 L HN 0.262 8.492 8.230 -0.000 0.000 0.435 193 L N -0.601 120.569 121.223 -0.089 0.000 2.046 193 L HA -0.157 4.189 4.340 0.010 0.000 0.208 193 L C 2.670 179.520 176.870 -0.034 0.000 1.077 193 L CA 1.393 56.181 54.840 -0.086 0.000 0.747 193 L CB -1.147 40.805 42.059 -0.178 0.000 0.896 193 L HN 0.321 8.551 8.230 -0.000 0.000 0.432 194 G N -0.189 108.599 108.800 -0.020 0.000 2.491 194 G HA2 -0.291 3.675 3.960 0.010 0.000 0.218 194 G HA3 -0.291 3.675 3.960 0.010 0.000 0.218 194 G C 1.172 176.078 174.900 0.010 0.000 1.180 194 G CA 1.076 46.181 45.100 0.009 0.000 0.774 194 G HN 0.322 8.612 8.290 -0.000 0.000 0.562 195 D N 0.419 120.821 120.400 0.002 0.000 2.149 195 D HA -0.077 4.569 4.640 0.010 0.000 0.198 195 D C 2.636 178.941 176.300 0.009 0.000 0.990 195 D CA 0.555 54.558 54.000 0.006 0.000 0.839 195 D CB -0.193 40.608 40.800 0.001 0.000 0.948 195 D HN 0.292 8.662 8.370 -0.000 0.000 0.460 196 L N 0.320 121.544 121.223 0.002 0.000 2.017 196 L HA -0.147 4.199 4.340 0.010 0.000 0.208 196 L C 2.730 179.615 176.870 0.024 0.000 1.073 196 L CA 0.981 55.824 54.840 0.005 0.000 0.745 196 L CB -0.204 41.847 42.059 -0.013 0.000 0.894 196 L HN -0.054 8.176 8.230 -0.000 0.000 0.432 197 R N 0.296 120.811 120.500 0.024 0.000 2.070 197 R HA -0.208 4.138 4.340 0.010 0.000 0.232 197 R C 2.100 178.438 176.300 0.063 0.000 1.138 197 R CA 1.631 57.762 56.100 0.051 0.000 0.936 197 R CB -0.100 30.227 30.300 0.045 0.000 0.839 197 R HN 0.108 8.378 8.270 -0.000 0.000 0.429 198 E N 0.056 120.281 120.200 0.043 0.000 2.393 198 E HA -0.102 4.254 4.350 0.010 0.000 0.201 198 E C 1.150 177.771 176.600 0.035 0.000 1.025 198 E CA 1.281 57.703 56.400 0.037 0.000 0.856 198 E CB 0.153 29.868 29.700 0.026 0.000 0.771 198 E HN 0.271 8.631 8.360 -0.000 0.000 0.526 199 S N -0.544 115.179 115.700 0.039 0.000 2.575 199 S HA 0.124 4.601 4.470 0.010 0.000 0.215 199 S C 0.691 175.324 174.600 0.055 0.000 0.966 199 S CA 0.540 58.762 58.200 0.036 0.000 0.911 199 S CB 0.110 63.327 63.200 0.028 0.000 0.780 199 S HN 0.366 8.676 8.310 -0.000 0.000 0.514 200 K N 0.784 121.235 120.400 0.086 0.000 3.162 200 K HA -0.161 4.165 4.320 0.010 0.000 0.268 200 K C 0.409 177.145 176.600 0.226 0.000 1.062 200 K CA 1.332 57.697 56.287 0.129 0.000 0.769 200 K CB -2.964 29.552 32.500 0.027 0.000 1.274 200 K HN 0.524 8.774 8.250 -0.000 0.000 0.478 201 L N -1.801 119.565 121.223 0.237 0.000 2.685 201 L HA 0.456 4.803 4.340 0.010 0.000 0.235 201 L C 1.323 178.246 176.870 0.087 0.000 1.070 201 L CA 0.663 55.633 54.840 0.217 0.000 0.888 201 L CB 0.370 42.474 42.059 0.075 0.000 1.203 201 L HN 0.786 9.016 8.230 -0.000 0.000 0.499 202 I N -3.360 117.184 120.570 -0.043 0.000 3.343 202 I HA 0.919 5.096 4.170 0.010 0.000 0.315 202 I C -1.097 174.841 176.117 -0.298 0.000 1.153 202 I CA -0.902 60.157 61.300 -0.402 0.000 0.952 202 I CB 2.233 40.100 38.000 -0.220 0.000 1.287 202 I HN -0.205 8.005 8.210 -0.000 0.000 0.472 203 A N 2.180 124.779 122.820 -0.369 0.000 2.572 203 A HA 0.831 5.157 4.320 0.010 0.000 0.295 203 A C -1.222 176.341 177.584 -0.036 0.000 1.072 203 A CA -0.574 51.422 52.037 -0.069 0.000 0.691 203 A CB 1.616 20.665 19.000 0.082 0.000 1.291 203 A HN 0.667 8.817 8.150 -0.000 0.000 0.404 204 I N 2.334 122.934 120.570 0.051 0.000 2.437 204 I HA 0.327 4.503 4.170 0.010 0.000 0.279 204 I C -0.759 175.431 176.117 0.122 0.000 1.028 204 I CA -0.239 61.100 61.300 0.064 0.000 1.142 204 I CB 1.262 39.301 38.000 0.065 0.000 1.266 204 I HN 0.810 9.020 8.210 -0.000 0.000 0.461 205 H N 5.983 125.058 119.070 0.010 0.000 2.589 205 H HA 0.362 4.924 4.556 0.011 0.000 0.351 205 H C -0.538 174.795 175.328 0.008 0.000 1.074 205 H CA -0.860 55.198 56.048 0.017 0.000 1.203 205 H CB 1.263 31.044 29.762 0.031 0.000 1.558 205 H HN 0.380 8.660 8.280 -0.000 0.000 0.522 206 K N 5.140 125.221 120.400 -0.532 0.000 3.490 206 K HA -0.284 4.042 4.320 0.010 0.000 0.273 206 K C 0.054 176.566 176.600 -0.146 0.000 0.916 206 K CA 0.914 56.997 56.287 -0.340 0.000 0.718 206 K CB -0.733 31.552 32.500 -0.359 0.000 1.477 206 K HN 0.952 9.202 8.250 -0.000 0.000 0.452 207 K N -2.220 118.123 120.400 -0.095 0.000 3.193 207 K HA -0.291 4.035 4.320 0.010 0.000 0.294 207 K C -0.844 175.741 176.600 -0.026 0.000 1.185 207 K CA 1.638 57.893 56.287 -0.052 0.000 0.866 207 K CB -1.306 31.156 32.500 -0.063 0.000 1.227 207 K HN 0.580 8.830 8.250 -0.000 0.000 0.467 208 R N 0.190 120.681 120.500 -0.014 0.000 2.670 208 R HA 0.565 4.912 4.340 0.010 0.000 0.289 208 R C 0.104 176.407 176.300 0.005 0.000 0.965 208 R CA -0.976 55.124 56.100 -0.001 0.000 0.899 208 R CB 1.320 31.620 30.300 0.000 0.000 1.173 208 R HN 0.099 8.369 8.270 -0.000 0.000 0.456 209 I N 1.980 122.545 120.570 -0.008 0.000 2.441 209 I HA 0.144 4.321 4.170 0.010 0.000 0.287 209 I C 0.029 176.098 176.117 -0.079 0.000 1.049 209 I CA 0.280 61.557 61.300 -0.038 0.000 1.381 209 I CB 1.487 39.463 38.000 -0.040 0.000 1.409 209 I HN 0.446 8.656 8.210 -0.000 0.000 0.523 210 T N 6.056 120.520 114.554 -0.149 0.000 2.792 210 T HA 0.311 4.667 4.350 0.010 0.000 0.280 210 T C -0.497 173.942 174.700 -0.435 0.000 0.990 210 T CA -0.462 61.501 62.100 -0.228 0.000 0.960 210 T CB 1.813 70.559 68.868 -0.203 0.000 0.939 210 T HN 0.383 8.623 8.240 -0.000 0.000 0.439 211 V N 4.919 124.634 119.914 -0.332 0.000 2.347 211 V HA 0.647 4.774 4.120 0.010 0.000 0.280 211 V C -1.012 174.915 176.094 -0.279 0.000 1.021 211 V CA -0.829 61.259 62.300 -0.352 0.000 0.847 211 V CB -0.311 31.406 31.823 -0.177 0.000 0.990 211 V HN 0.678 8.868 8.190 -0.000 0.000 0.444 212 F N 4.989 124.927 119.950 -0.020 0.000 2.429 212 F HA 0.393 4.926 4.527 0.011 0.000 0.348 212 F C 1.232 177.014 175.800 -0.030 0.000 1.109 212 F CA -0.178 57.808 58.000 -0.022 0.000 1.232 212 F CB -0.125 38.862 39.000 -0.022 0.000 1.157 212 F HN 0.777 9.077 8.300 -0.000 0.000 0.564 213 N N 2.434 121.228 118.700 0.156 0.000 2.666 213 N HA -0.170 4.576 4.740 0.010 0.000 0.274 213 N C -1.859 173.664 175.510 0.022 0.000 1.043 213 N CA 0.060 53.152 53.050 0.070 0.000 0.782 213 N CB -0.307 38.218 38.487 0.063 0.000 0.912 213 N HN 0.262 8.642 8.380 -0.000 0.000 0.556 214 P HA -0.139 4.281 4.420 -0.000 0.000 0.215 214 P C 1.631 178.896 177.300 -0.057 0.000 1.157 214 P CA 0.670 63.744 63.100 -0.042 0.000 0.868 214 P CB 0.144 31.816 31.700 -0.046 0.000 0.788 215 V N 0.772 120.663 119.914 -0.039 0.000 2.317 215 V HA -0.327 3.799 4.120 0.010 0.000 0.251 215 V C 2.707 178.769 176.094 -0.052 0.000 1.065 215 V CA 2.380 64.655 62.300 -0.042 0.000 1.049 215 V CB -1.687 30.122 31.823 -0.023 0.000 0.651 215 V HN 0.125 8.315 8.190 -0.000 0.000 0.450 216 A N -0.460 122.336 122.820 -0.040 0.000 1.873 216 A HA -0.275 4.051 4.320 0.010 0.000 0.218 216 A C 2.182 179.721 177.584 -0.075 0.000 1.193 216 A CA 2.486 54.498 52.037 -0.041 0.000 0.629 216 A CB -0.686 18.301 19.000 -0.021 0.000 0.826 216 A HN 0.497 8.647 8.150 -0.000 0.000 0.447 217 L N 0.523 121.691 121.223 -0.092 0.000 2.201 217 L HA -0.084 4.263 4.340 0.010 0.000 0.212 217 L C 2.638 179.339 176.870 -0.281 0.000 1.105 217 L CA 2.266 57.015 54.840 -0.151 0.000 0.775 217 L CB -0.344 41.639 42.059 -0.126 0.000 0.913 217 L HN 0.509 8.739 8.230 -0.000 0.000 0.440 218 S N -1.825 113.724 115.700 -0.251 0.000 2.515 218 S HA -0.130 4.346 4.470 0.010 0.000 0.231 218 S C 1.719 176.155 174.600 -0.274 0.000 0.987 218 S CA 0.434 58.429 58.200 -0.342 0.000 0.936 218 S CB -0.404 62.696 63.200 -0.167 0.000 0.766 218 S HN 0.551 8.861 8.310 -0.000 0.000 0.528 219 Q N 1.328 121.028 119.800 -0.166 0.000 2.369 219 Q HA -0.073 4.274 4.340 0.010 0.000 0.206 219 Q C 2.152 178.104 176.000 -0.081 0.000 0.963 219 Q CA 1.184 56.937 55.803 -0.084 0.000 0.894 219 Q CB -0.619 28.092 28.738 -0.046 0.000 0.965 219 Q HN 0.936 9.207 8.270 -0.000 0.000 0.475 220 Q N 0.214 119.910 119.800 -0.174 0.000 2.197 220 Q HA -0.207 4.139 4.340 0.010 0.000 0.211 220 Q C 1.299 177.351 176.000 0.087 0.000 0.993 220 Q CA 1.679 57.408 55.803 -0.124 0.000 0.883 220 Q CB -0.136 28.447 28.738 -0.259 0.000 0.916 220 Q HN 0.447 8.717 8.270 -0.000 0.000 0.418 221 F N -1.173 118.790 119.950 0.022 0.000 2.135 221 F HA 0.248 4.781 4.527 0.010 0.000 0.280 221 F C 1.408 177.237 175.800 0.049 0.000 1.109 221 F CA -0.169 57.865 58.000 0.057 0.000 1.163 221 F CB 0.185 39.238 39.000 0.088 0.000 1.062 221 F HN -0.006 8.294 8.300 -0.000 0.000 0.496 222 S N 0.000 115.850 115.700 0.250 0.000 2.498 222 S HA 0.000 4.476 4.470 0.010 0.000 0.327 222 S CA 0.000 58.284 58.200 0.140 0.000 1.107 222 S CB 0.000 63.281 63.200 0.136 0.000 0.593 222 S HN 0.000 8.310 8.310 -0.000 0.000 0.517