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 2xz5_1_C DATA FIRST_RESID 1 DATA SEQUENCE QANLMRLKSD LFNRSPMYPG PTKDDPLTVT LGFTLQDIVK VDSSTNEVDL DATA SEQUENCE VYXEQQRWKL NSLMWDPNEY GNITDFRTSA ADIWTPDITA YSSTRPVQVL DATA SEQUENCE SPQIAVVTHD GSVMFIPAQR LSFMcDPTGV DSEEGVTcAV KFGSWVYSGF DATA SEQUENCE EIDLKTDTDQ VDLSSYYASS KYEILSATQT RQVQHYSCCP EPYIDVNLVV DATA SEQUENCE KFRERRAG 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 1 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1 Q C 0.000 175.975 176.000 -0.042 0.000 1.003 1 Q CA 0.000 55.785 55.803 -0.031 0.000 1.022 1 Q CB 0.000 28.722 28.738 -0.027 0.000 1.108 2 A N 1.521 124.324 122.820 -0.028 0.000 1.873 2 A HA -0.265 4.059 4.320 0.006 0.000 0.218 2 A C 1.704 179.273 177.584 -0.024 0.000 1.193 2 A CA 2.130 54.152 52.037 -0.026 0.000 0.629 2 A CB -0.745 18.247 19.000 -0.014 0.000 0.826 2 A HN 0.398 8.548 8.150 -0.000 0.000 0.447 3 N N -0.330 118.364 118.700 -0.010 0.000 2.069 3 N HA -0.151 4.593 4.740 0.006 0.000 0.191 3 N C 1.648 177.131 175.510 -0.044 0.000 1.031 3 N CA 1.643 54.704 53.050 0.019 0.000 0.852 3 N CB -0.590 37.922 38.487 0.041 0.000 1.018 3 N HN 0.410 8.790 8.380 -0.000 0.000 0.423 4 L N 1.095 122.253 121.223 -0.108 0.000 2.046 4 L HA 0.015 4.359 4.340 0.006 0.000 0.208 4 L C 2.307 179.001 176.870 -0.293 0.000 1.077 4 L CA 1.323 56.018 54.840 -0.242 0.000 0.747 4 L CB -0.677 41.267 42.059 -0.191 0.000 0.896 4 L HN 0.086 8.316 8.230 -0.000 0.000 0.432 5 M N -1.009 118.482 119.600 -0.182 0.000 2.106 5 M HA -0.269 4.214 4.480 0.006 0.000 0.259 5 M C 2.490 178.699 176.300 -0.152 0.000 1.068 5 M CA 1.950 57.154 55.300 -0.160 0.000 1.100 5 M CB -0.242 32.300 32.600 -0.096 0.000 1.351 5 M HN 0.206 8.496 8.290 -0.000 0.000 0.404 6 R N -0.014 120.427 120.500 -0.097 0.000 2.066 6 R HA -0.185 4.159 4.340 0.006 0.000 0.232 6 R C 2.101 178.335 176.300 -0.110 0.000 1.131 6 R CA 1.581 57.664 56.100 -0.028 0.000 0.955 6 R CB -0.476 29.872 30.300 0.080 0.000 0.851 6 R HN 0.303 8.573 8.270 -0.000 0.000 0.432 7 L N 1.615 122.644 121.223 -0.322 0.000 1.989 7 L HA -0.202 4.141 4.340 0.006 0.000 0.211 7 L C 1.821 178.295 176.870 -0.661 0.000 1.071 7 L CA 1.955 56.289 54.840 -0.844 0.000 0.749 7 L CB -0.395 40.956 42.059 -1.180 0.000 0.890 7 L HN 0.075 8.305 8.230 -0.000 0.000 0.431 8 K N -0.923 119.107 120.400 -0.616 0.000 2.063 8 K HA -0.176 4.148 4.320 0.006 0.000 0.208 8 K C 2.355 178.830 176.600 -0.209 0.000 1.048 8 K CA 1.566 57.553 56.287 -0.499 0.000 0.928 8 K CB -0.413 31.785 32.500 -0.503 0.000 0.713 8 K HN 0.477 8.727 8.250 -0.000 0.000 0.442 9 S N 1.311 116.923 115.700 -0.146 0.000 2.356 9 S HA -0.176 4.298 4.470 0.006 0.000 0.223 9 S C 1.470 176.115 174.600 0.074 0.000 1.032 9 S CA 1.745 59.948 58.200 0.005 0.000 1.005 9 S CB -0.248 62.950 63.200 -0.003 0.000 0.867 9 S HN 0.183 8.493 8.310 -0.000 0.000 0.449 10 D N 1.171 121.568 120.400 -0.005 0.000 2.144 10 D HA -0.008 4.636 4.640 0.006 0.000 0.200 10 D C 1.947 178.259 176.300 0.021 0.000 0.978 10 D CA 0.799 54.816 54.000 0.029 0.000 0.833 10 D CB -0.429 40.414 40.800 0.073 0.000 0.961 10 D HN 0.382 8.752 8.370 -0.000 0.000 0.470 11 L N -0.343 120.860 121.223 -0.033 0.000 2.141 11 L HA -0.117 4.226 4.340 0.006 0.000 0.209 11 L C 2.209 179.150 176.870 0.117 0.000 1.094 11 L CA 0.641 55.501 54.840 0.033 0.000 0.763 11 L CB -0.237 41.829 42.059 0.012 0.000 0.908 11 L HN 0.005 8.235 8.230 -0.000 0.000 0.437 12 F N 0.680 120.619 119.950 -0.018 0.000 2.187 12 F HA -0.093 4.438 4.527 0.006 0.000 0.295 12 F C 2.243 178.056 175.800 0.021 0.000 1.091 12 F CA 1.317 59.323 58.000 0.011 0.000 1.308 12 F CB -0.168 38.827 39.000 -0.008 0.000 1.030 12 F HN 0.050 8.350 8.300 -0.000 0.000 0.487 13 N N 1.094 119.719 118.700 -0.126 0.000 2.300 13 N HA -0.110 4.634 4.740 0.006 0.000 0.179 13 N C 2.007 177.444 175.510 -0.122 0.000 1.016 13 N CA 1.146 54.070 53.050 -0.210 0.000 0.876 13 N CB -0.607 37.867 38.487 -0.023 0.000 0.979 13 N HN 0.457 8.837 8.380 -0.000 0.000 0.432 14 R N 1.309 121.786 120.500 -0.039 0.000 2.170 14 R HA -0.065 4.279 4.340 0.006 0.000 0.242 14 R C -0.192 176.097 176.300 -0.018 0.000 1.145 14 R CA 1.186 57.284 56.100 -0.003 0.000 0.984 14 R CB -0.116 30.209 30.300 0.041 0.000 0.869 14 R HN 0.221 8.491 8.270 -0.000 0.000 0.455 15 S N -0.588 115.085 115.700 -0.045 0.000 2.543 15 S HA 0.529 5.002 4.470 0.006 0.000 0.274 15 S C -2.990 171.567 174.600 -0.072 0.000 1.149 15 S CA -1.636 56.544 58.200 -0.034 0.000 0.866 15 S CB 2.260 65.472 63.200 0.020 0.000 1.111 15 S HN 0.002 8.312 8.310 -0.000 0.000 0.457 16 P HA 0.322 4.742 4.420 -0.000 0.000 0.273 16 P C -0.165 177.145 177.300 0.018 0.000 1.250 16 P CA -0.717 62.344 63.100 -0.065 0.000 0.793 16 P CB 0.186 31.863 31.700 -0.037 0.000 1.011 17 M N 1.463 121.096 119.600 0.055 0.000 2.255 17 M HA -0.042 4.441 4.480 0.006 0.000 0.356 17 M C -0.572 175.829 176.300 0.168 0.000 1.338 17 M CA 0.124 55.514 55.300 0.150 0.000 0.962 17 M CB -0.814 31.884 32.600 0.164 0.000 1.877 17 M HN 0.255 8.545 8.290 -0.000 0.000 0.463 18 Y N 9.013 129.365 120.300 0.085 0.000 2.721 18 Y HA 0.178 4.732 4.550 0.006 0.000 0.329 18 Y C -1.531 174.376 175.900 0.011 0.000 1.211 18 Y CA -1.236 56.877 58.100 0.022 0.000 1.512 18 Y CB 0.254 38.721 38.460 0.012 0.000 1.249 18 Y HN 0.640 8.920 8.280 -0.000 0.000 0.549 19 P HA 0.216 4.636 4.420 -0.000 0.000 0.255 19 P C 0.213 177.228 177.300 -0.475 0.000 1.301 19 P CA 1.024 63.928 63.100 -0.327 0.000 0.817 19 P CB -0.152 31.416 31.700 -0.221 0.000 1.259 20 G N 1.336 109.421 108.800 -1.191 0.000 2.712 20 G HA2 -0.107 3.857 3.960 0.006 0.000 0.683 20 G HA3 -0.107 3.857 3.960 0.006 0.000 0.683 20 G C -3.125 171.171 174.900 -1.007 0.000 1.320 20 G CA -0.777 43.624 45.100 -1.165 0.000 0.847 20 G HN 0.098 8.388 8.290 -0.000 0.000 0.553 21 P HA 0.491 4.911 4.420 -0.000 0.000 0.274 21 P C 0.260 177.463 177.300 -0.161 0.000 1.256 21 P CA 0.600 63.462 63.100 -0.397 0.000 0.795 21 P CB 1.216 32.674 31.700 -0.403 0.000 1.038 22 T N -2.876 111.631 114.554 -0.079 0.000 2.838 22 T HA 0.404 4.758 4.350 0.006 0.000 0.292 22 T C 0.979 175.691 174.700 0.021 0.000 1.113 22 T CA -0.760 61.338 62.100 -0.003 0.000 1.008 22 T CB 1.267 70.117 68.868 -0.030 0.000 1.259 22 T HN 0.010 8.250 8.240 -0.000 0.000 0.520 23 K N 0.503 120.923 120.400 0.034 0.000 2.103 23 K HA -0.054 4.270 4.320 0.006 0.000 0.207 23 K C 1.667 178.274 176.600 0.012 0.000 1.048 23 K CA 1.795 58.102 56.287 0.033 0.000 0.930 23 K CB -0.253 32.234 32.500 -0.022 0.000 0.716 23 K HN 0.558 8.808 8.250 -0.000 0.000 0.444 24 D N -0.062 120.336 120.400 -0.005 0.000 2.234 24 D HA -0.085 4.559 4.640 0.006 0.000 0.205 24 D C -0.069 176.230 176.300 -0.002 0.000 0.962 24 D CA 0.947 54.943 54.000 -0.008 0.000 0.855 24 D CB 0.101 40.893 40.800 -0.014 0.000 0.951 24 D HN 0.179 8.549 8.370 -0.000 0.000 0.500 25 D N 0.648 121.045 120.400 -0.005 0.000 2.502 25 D HA 0.158 4.802 4.640 0.006 0.000 0.301 25 D C -2.577 173.714 176.300 -0.014 0.000 1.202 25 D CA -2.029 51.969 54.000 -0.003 0.000 0.878 25 D CB 1.261 42.062 40.800 0.002 0.000 1.062 25 D HN -0.086 8.284 8.370 -0.000 0.000 0.499 26 P HA 0.312 4.732 4.420 -0.000 0.000 0.276 26 P C -0.914 176.372 177.300 -0.024 0.000 1.261 26 P CA -0.779 62.315 63.100 -0.011 0.000 0.800 26 P CB 1.628 33.344 31.700 0.027 0.000 1.066 27 L N 0.191 121.388 121.223 -0.043 0.000 2.388 27 L HA 0.548 4.892 4.340 0.006 0.000 0.264 27 L C -0.721 176.159 176.870 0.017 0.000 0.998 27 L CA -0.046 54.780 54.840 -0.023 0.000 0.817 27 L CB 2.256 44.254 42.059 -0.101 0.000 1.338 27 L HN 0.265 8.495 8.230 -0.000 0.000 0.414 28 T N 3.308 117.899 114.554 0.060 0.000 2.791 28 T HA 0.554 4.908 4.350 0.006 0.000 0.288 28 T C -0.820 173.958 174.700 0.130 0.000 0.999 28 T CA -0.350 61.793 62.100 0.072 0.000 0.952 28 T CB 1.246 70.145 68.868 0.052 0.000 0.938 28 T HN 0.293 8.533 8.240 -0.000 0.000 0.444 29 V N 3.985 123.976 119.914 0.129 0.000 2.394 29 V HA 0.382 4.506 4.120 0.006 0.000 0.282 29 V C 0.553 176.717 176.094 0.117 0.000 1.031 29 V CA -0.704 61.705 62.300 0.181 0.000 0.881 29 V CB 1.524 33.437 31.823 0.150 0.000 0.982 29 V HN 0.903 9.093 8.190 -0.000 0.000 0.451 30 T N 6.993 121.616 114.554 0.116 0.000 2.728 30 T HA 0.535 4.889 4.350 0.006 0.000 0.296 30 T C -0.206 174.494 174.700 0.000 0.000 0.940 30 T CA -0.135 61.991 62.100 0.044 0.000 1.013 30 T CB 0.339 69.222 68.868 0.024 0.000 0.912 30 T HN 0.333 8.573 8.240 -0.000 0.000 0.484 31 L N 2.793 123.981 121.223 -0.057 0.000 2.322 31 L HA 0.795 5.139 4.340 0.006 0.000 0.279 31 L C 0.585 177.297 176.870 -0.264 0.000 1.036 31 L CA -0.668 54.050 54.840 -0.203 0.000 0.807 31 L CB 1.712 43.651 42.059 -0.200 0.000 1.226 31 L HN 0.798 9.028 8.230 -0.000 0.000 0.433 32 G N 2.359 110.883 108.800 -0.460 0.000 2.608 32 G HA2 0.496 4.460 3.960 0.006 0.000 0.285 32 G HA3 0.496 4.460 3.960 0.006 0.000 0.285 32 G C -1.424 173.171 174.900 -0.508 0.000 1.407 32 G CA -0.375 44.514 45.100 -0.351 0.000 1.276 32 G HN 0.212 8.502 8.290 -0.000 0.000 0.587 33 F N 1.254 121.130 119.950 -0.123 0.000 2.394 33 F HA 0.547 5.078 4.527 0.007 0.000 0.340 33 F C 0.901 176.672 175.800 -0.049 0.000 1.105 33 F CA -0.289 57.632 58.000 -0.132 0.000 1.124 33 F CB 2.356 41.205 39.000 -0.252 0.000 1.145 33 F HN 0.195 8.495 8.300 -0.000 0.000 0.505 34 T N 5.014 119.660 114.554 0.154 0.000 2.893 34 T HA 0.302 4.655 4.350 0.006 0.000 0.324 34 T C -0.746 174.076 174.700 0.203 0.000 1.082 34 T CA -0.431 61.749 62.100 0.134 0.000 0.983 34 T CB 0.414 69.325 68.868 0.071 0.000 1.005 34 T HN 0.317 8.557 8.240 -0.000 0.000 0.475 35 L N 3.952 125.304 121.223 0.216 0.000 2.315 35 L HA 0.347 4.691 4.340 0.006 0.000 0.283 35 L C 1.294 178.363 176.870 0.332 0.000 1.089 35 L CA 0.422 55.430 54.840 0.280 0.000 0.833 35 L CB 0.862 43.061 42.059 0.233 0.000 1.170 35 L HN 0.641 8.871 8.230 -0.000 0.000 0.442 36 Q N 1.970 121.900 119.800 0.217 0.000 2.226 36 Q HA 0.090 4.434 4.340 0.006 0.000 0.199 36 Q C -0.462 175.415 176.000 -0.205 0.000 0.945 36 Q CA 0.634 56.470 55.803 0.055 0.000 0.861 36 Q CB 0.595 29.336 28.738 0.005 0.000 0.953 36 Q HN 0.788 9.057 8.270 -0.000 0.000 0.490 37 D N -1.296 119.058 120.400 -0.077 0.000 2.706 37 D HA 0.263 4.907 4.640 0.006 0.000 0.225 37 D C -1.576 174.794 176.300 0.118 0.000 1.241 37 D CA -0.472 53.416 54.000 -0.186 0.000 0.784 37 D CB 1.435 42.164 40.800 -0.119 0.000 1.521 37 D HN 0.078 8.448 8.370 -0.000 0.000 0.461 38 I N 3.759 124.457 120.570 0.214 0.000 2.310 38 I HA 0.167 4.341 4.170 0.006 0.000 0.287 38 I C 1.362 177.603 176.117 0.207 0.000 1.073 38 I CA -0.574 60.803 61.300 0.129 0.000 1.216 38 I CB 1.362 39.295 38.000 -0.111 0.000 1.415 38 I HN 0.257 8.467 8.210 -0.000 0.000 0.480 39 V N 4.921 124.914 119.914 0.132 0.000 2.255 39 V HA -0.070 4.054 4.120 0.006 0.000 0.243 39 V C 0.915 177.132 176.094 0.206 0.000 1.038 39 V CA 1.422 63.808 62.300 0.144 0.000 1.008 39 V CB -0.301 31.567 31.823 0.074 0.000 0.645 39 V HN 0.667 8.857 8.190 -0.000 0.000 0.449 40 K N -0.775 119.703 120.400 0.130 0.000 2.469 40 K HA 0.638 4.961 4.320 0.006 0.000 0.254 40 K C -1.953 174.653 176.600 0.009 0.000 0.939 40 K CA -0.461 55.901 56.287 0.125 0.000 0.812 40 K CB 2.659 35.204 32.500 0.075 0.000 1.301 40 K HN -0.043 8.207 8.250 -0.000 0.000 0.433 41 V N 2.736 122.670 119.914 0.033 0.000 2.483 41 V HA 0.284 4.408 4.120 0.006 0.000 0.297 41 V C -1.424 174.682 176.094 0.020 0.000 1.027 41 V CA -0.673 61.604 62.300 -0.038 0.000 0.855 41 V CB 1.768 33.527 31.823 -0.107 0.000 0.995 41 V HN 0.790 8.980 8.190 -0.000 0.000 0.424 42 D N 2.734 123.124 120.400 -0.016 0.000 2.462 42 D HA 0.277 4.921 4.640 0.006 0.000 0.245 42 D C 0.956 177.247 176.300 -0.016 0.000 1.122 42 D CA -0.072 53.925 54.000 -0.004 0.000 0.864 42 D CB 2.125 42.918 40.800 -0.012 0.000 1.098 42 D HN 0.508 8.878 8.370 -0.000 0.000 0.541 43 S N 1.372 117.072 115.700 0.000 0.000 2.527 43 S HA -0.094 4.380 4.470 0.006 0.000 0.222 43 S C 1.622 176.217 174.600 -0.007 0.000 0.985 43 S CA 0.693 58.890 58.200 -0.005 0.000 0.921 43 S CB -0.105 63.099 63.200 0.007 0.000 0.772 43 S HN 0.326 8.636 8.310 -0.000 0.000 0.529 44 S N 1.387 117.085 115.700 -0.004 0.000 2.501 44 S HA 0.011 4.485 4.470 0.006 0.000 0.220 44 S C 1.617 176.211 174.600 -0.010 0.000 0.997 44 S CA 0.780 58.978 58.200 -0.004 0.000 0.919 44 S CB -0.514 62.686 63.200 0.001 0.000 0.778 44 S HN 0.748 9.058 8.310 -0.000 0.000 0.523 45 T N -2.668 111.876 114.554 -0.017 0.000 2.986 45 T HA 0.276 4.630 4.350 0.006 0.000 0.264 45 T C -0.008 174.670 174.700 -0.036 0.000 0.964 45 T CA -0.079 62.008 62.100 -0.022 0.000 0.895 45 T CB -0.394 68.462 68.868 -0.020 0.000 1.163 45 T HN 0.204 8.444 8.240 -0.000 0.000 0.517 46 N N 2.121 120.794 118.700 -0.046 0.000 2.726 46 N HA -0.115 4.629 4.740 0.006 0.000 0.253 46 N C -1.041 174.401 175.510 -0.114 0.000 1.059 46 N CA 0.797 53.805 53.050 -0.070 0.000 0.701 46 N CB -1.355 37.098 38.487 -0.057 0.000 0.899 46 N HN 0.772 9.152 8.380 -0.000 0.000 0.548 47 E N -0.606 119.518 120.200 -0.127 0.000 2.266 47 E HA 0.697 5.051 4.350 0.006 0.000 0.268 47 E C -0.624 175.844 176.600 -0.220 0.000 0.879 47 E CA -0.898 55.394 56.400 -0.181 0.000 0.762 47 E CB 2.418 32.060 29.700 -0.097 0.000 1.199 47 E HN -0.009 8.351 8.360 -0.000 0.000 0.422 48 V N 2.412 122.098 119.914 -0.380 0.000 2.709 48 V HA 0.287 4.411 4.120 0.006 0.000 0.308 48 V C -1.192 174.819 176.094 -0.137 0.000 1.062 48 V CA -0.926 61.188 62.300 -0.311 0.000 0.901 48 V CB 2.181 33.758 31.823 -0.410 0.000 1.003 48 V HN 0.640 8.830 8.190 -0.000 0.000 0.425 49 D N 4.397 124.791 120.400 -0.010 0.000 2.256 49 D HA 0.671 5.314 4.640 0.006 0.000 0.240 49 D C -0.571 175.810 176.300 0.135 0.000 1.062 49 D CA -0.044 54.015 54.000 0.098 0.000 0.832 49 D CB 1.706 42.543 40.800 0.061 0.000 1.135 49 D HN 0.298 8.668 8.370 -0.000 0.000 0.484 50 L N 0.972 122.337 121.223 0.237 0.000 2.333 50 L HA 0.688 5.032 4.340 0.006 0.000 0.269 50 L C -0.522 176.471 176.870 0.204 0.000 1.010 50 L CA -1.286 53.704 54.840 0.251 0.000 0.818 50 L CB 1.960 44.232 42.059 0.356 0.000 1.306 50 L HN -0.016 8.214 8.230 -0.000 0.000 0.430 51 V N 2.225 122.231 119.914 0.153 0.000 2.407 51 V HA 0.520 4.644 4.120 0.006 0.000 0.291 51 V C -0.925 175.232 176.094 0.105 0.000 1.018 51 V CA -0.518 61.789 62.300 0.011 0.000 0.842 51 V CB 1.032 32.830 31.823 -0.041 0.000 0.996 51 V HN 0.717 8.907 8.190 -0.000 0.000 0.426 55 Q N 3.490 123.100 119.800 -0.318 0.000 2.296 55 Q HA 0.189 4.532 4.340 0.006 0.000 0.262 55 Q C -0.946 174.960 176.000 -0.158 0.000 0.981 55 Q CA 0.171 55.851 55.803 -0.206 0.000 0.905 55 Q CB 0.882 29.523 28.738 -0.161 0.000 1.186 55 Q HN 0.459 8.729 8.270 -0.000 0.000 0.399 56 Q N 4.084 123.872 119.800 -0.019 0.000 2.337 56 Q HA 0.557 4.901 4.340 0.006 0.000 0.270 56 Q C -1.151 174.980 176.000 0.217 0.000 1.043 56 Q CA -0.664 55.237 55.803 0.164 0.000 0.794 56 Q CB 2.419 31.379 28.738 0.371 0.000 1.281 56 Q HN 0.489 8.759 8.270 -0.000 0.000 0.446 57 R N 1.992 122.628 120.500 0.226 0.000 2.628 57 R HA 0.649 4.993 4.340 0.006 0.000 0.288 57 R C -1.412 175.062 176.300 0.290 0.000 0.980 57 R CA -0.711 55.436 56.100 0.079 0.000 0.891 57 R CB 1.752 32.034 30.300 -0.029 0.000 1.188 57 R HN 0.777 9.047 8.270 -0.000 0.000 0.450 58 W N 0.925 122.239 121.300 0.023 0.000 3.074 58 W HA 0.584 5.247 4.660 0.006 0.000 0.332 58 W C -1.700 174.810 176.519 -0.016 0.000 1.253 58 W CA -1.120 56.240 57.345 0.026 0.000 1.180 58 W CB 1.167 30.688 29.460 0.101 0.000 1.445 58 W HN 0.297 8.477 8.180 -0.000 0.000 0.573 59 K N 1.966 122.427 120.400 0.100 0.000 2.324 59 K HA 0.697 5.020 4.320 0.006 0.000 0.253 59 K C -1.751 174.864 176.600 0.025 0.000 0.932 59 K CA -0.718 55.544 56.287 -0.042 0.000 0.799 59 K CB 1.538 33.998 32.500 -0.065 0.000 1.154 59 K HN 0.757 9.007 8.250 -0.000 0.000 0.425 60 L N 4.295 125.488 121.223 -0.049 0.000 2.381 60 L HA 0.301 4.645 4.340 0.006 0.000 0.274 60 L C 0.663 177.476 176.870 -0.096 0.000 0.988 60 L CA -0.935 53.835 54.840 -0.115 0.000 0.824 60 L CB 1.787 43.730 42.059 -0.193 0.000 1.263 60 L HN 0.742 8.972 8.230 -0.000 0.000 0.410 61 N N 0.699 119.350 118.700 -0.082 0.000 2.223 61 N HA -0.155 4.589 4.740 0.006 0.000 0.185 61 N C 1.717 177.224 175.510 -0.005 0.000 1.016 61 N CA 1.584 54.613 53.050 -0.034 0.000 0.863 61 N CB 0.009 38.488 38.487 -0.014 0.000 0.983 61 N HN 0.684 9.064 8.380 -0.000 0.000 0.429 62 S N 0.321 116.004 115.700 -0.028 0.000 2.442 62 S HA -0.018 4.456 4.470 0.006 0.000 0.236 62 S C 1.678 176.322 174.600 0.073 0.000 1.007 62 S CA 0.597 58.810 58.200 0.022 0.000 0.965 62 S CB -0.328 62.877 63.200 0.009 0.000 0.773 62 S HN 0.257 8.567 8.310 -0.000 0.000 0.504 63 L N 0.359 121.623 121.223 0.069 0.000 2.700 63 L HA 0.386 4.730 4.340 0.006 0.000 0.234 63 L C 0.400 177.434 176.870 0.274 0.000 1.156 63 L CA -0.163 54.781 54.840 0.174 0.000 0.946 63 L CB -0.260 41.869 42.059 0.118 0.000 1.216 63 L HN 0.242 8.472 8.230 -0.000 0.000 0.493 64 M N 0.267 119.972 119.600 0.174 0.000 2.274 64 M HA 0.305 4.789 4.480 0.006 0.000 0.344 64 M C -0.728 175.767 176.300 0.325 0.000 1.161 64 M CA -0.094 55.279 55.300 0.122 0.000 1.126 64 M CB 1.013 33.625 32.600 0.021 0.000 1.522 64 M HN 0.142 8.432 8.290 -0.000 0.000 0.461 65 W N 1.037 122.406 121.300 0.115 0.000 3.074 65 W HA 0.521 5.185 4.660 0.006 0.000 0.332 65 W C -1.960 174.687 176.519 0.213 0.000 1.253 65 W CA -0.953 56.490 57.345 0.163 0.000 1.180 65 W CB 0.549 30.067 29.460 0.096 0.000 1.445 65 W HN 0.406 8.586 8.180 -0.000 0.000 0.573 66 D N 2.191 122.849 120.400 0.430 0.000 2.359 66 D HA 0.357 5.001 4.640 0.006 0.000 0.230 66 D C -1.561 174.968 176.300 0.381 0.000 1.118 66 D CA -2.500 51.647 54.000 0.245 0.000 0.844 66 D CB 2.057 42.963 40.800 0.176 0.000 1.059 66 D HN 0.052 8.422 8.370 -0.000 0.000 0.493 67 P HA -0.116 4.304 4.420 -0.000 0.000 0.217 67 P C 0.606 178.020 177.300 0.190 0.000 1.148 67 P CA 1.198 64.445 63.100 0.245 0.000 0.828 67 P CB 0.178 31.846 31.700 -0.053 0.000 0.783 68 N N -0.724 118.032 118.700 0.092 0.000 2.364 68 N HA -0.134 4.610 4.740 0.006 0.000 0.183 68 N C 1.468 176.986 175.510 0.014 0.000 1.022 68 N CA 0.567 53.642 53.050 0.042 0.000 0.883 68 N CB -0.233 38.263 38.487 0.015 0.000 0.965 68 N HN 0.335 8.715 8.380 -0.000 0.000 0.438 69 E N -0.489 119.722 120.200 0.018 0.000 2.385 69 E HA -0.011 4.343 4.350 0.006 0.000 0.194 69 E C -0.394 175.924 176.600 -0.470 0.000 1.013 69 E CA 0.489 56.758 56.400 -0.217 0.000 0.866 69 E CB 0.391 29.939 29.700 -0.253 0.000 0.832 69 E HN 0.410 8.770 8.360 -0.000 0.000 0.500 70 Y N -0.227 120.129 120.300 0.093 0.000 2.470 70 Y HA 0.309 4.863 4.550 0.006 0.000 0.352 70 Y C 0.649 176.574 175.900 0.041 0.000 0.967 70 Y CA -0.547 57.574 58.100 0.035 0.000 1.121 70 Y CB 1.220 39.659 38.460 -0.035 0.000 1.149 70 Y HN -0.011 8.269 8.280 -0.000 0.000 0.641 71 G N 1.591 110.453 108.800 0.103 0.000 2.390 71 G HA2 -0.424 3.540 3.960 0.006 0.000 0.299 71 G HA3 -0.424 3.540 3.960 0.006 0.000 0.299 71 G C 0.442 175.398 174.900 0.093 0.000 1.002 71 G CA 0.904 46.048 45.100 0.075 0.000 0.979 71 G HN 0.871 9.161 8.290 -0.000 0.000 0.513 72 N N -2.230 116.535 118.700 0.108 0.000 2.714 72 N HA -0.192 4.551 4.740 0.006 0.000 0.250 72 N C 0.485 176.076 175.510 0.135 0.000 1.117 72 N CA 0.957 54.062 53.050 0.092 0.000 0.719 72 N CB -0.774 37.740 38.487 0.045 0.000 1.081 72 N HN 0.737 9.117 8.380 -0.000 0.000 0.557 73 I N 0.685 121.396 120.570 0.236 0.000 2.517 73 I HA -0.009 4.165 4.170 0.006 0.000 0.285 73 I C 1.838 178.243 176.117 0.480 0.000 1.106 73 I CA 0.369 61.854 61.300 0.309 0.000 1.402 73 I CB 0.815 38.962 38.000 0.244 0.000 1.399 73 I HN 0.248 8.458 8.210 -0.000 0.000 0.535 74 T N 0.558 115.313 114.554 0.336 0.000 3.015 74 T HA 0.194 4.547 4.350 0.006 0.000 0.250 74 T C -0.007 174.950 174.700 0.427 0.000 1.057 74 T CA 0.084 62.323 62.100 0.233 0.000 1.066 74 T CB -0.144 68.774 68.868 0.082 0.000 0.959 74 T HN 0.732 8.972 8.240 -0.000 0.000 0.488 75 D N 0.214 120.927 120.400 0.522 0.000 2.671 75 D HA 0.552 5.195 4.640 0.006 0.000 0.273 75 D C -1.032 175.535 176.300 0.445 0.000 1.264 75 D CA -1.148 53.128 54.000 0.461 0.000 0.788 75 D CB 0.761 41.661 40.800 0.167 0.000 1.324 75 D HN 0.302 8.672 8.370 -0.000 0.000 0.424 76 F N -2.834 117.227 119.950 0.184 0.000 2.713 76 F HA 0.762 5.293 4.527 0.006 0.000 0.311 76 F C -1.458 174.362 175.800 0.034 0.000 1.141 76 F CA -1.311 56.721 58.000 0.054 0.000 0.939 76 F CB 1.350 40.321 39.000 -0.049 0.000 1.325 76 F HN 0.261 8.561 8.300 -0.000 0.000 0.453 77 R N 0.949 121.570 120.500 0.201 0.000 2.407 77 R HA 0.742 5.086 4.340 0.006 0.000 0.303 77 R C -0.776 175.647 176.300 0.205 0.000 0.981 77 R CA -0.475 55.685 56.100 0.099 0.000 0.905 77 R CB 1.779 32.126 30.300 0.078 0.000 1.099 77 R HN 0.900 9.170 8.270 -0.000 0.000 0.459 78 T N 0.294 114.916 114.554 0.113 0.000 2.868 78 T HA 0.282 4.636 4.350 0.006 0.000 0.306 78 T C -0.834 173.900 174.700 0.056 0.000 1.224 78 T CA -0.568 61.616 62.100 0.140 0.000 1.012 78 T CB 1.356 70.384 68.868 0.267 0.000 1.221 78 T HN 0.485 8.725 8.240 -0.000 0.000 0.499 79 S N 1.616 117.340 115.700 0.040 0.000 2.552 79 S HA 0.352 4.825 4.470 0.006 0.000 0.289 79 S C 1.539 176.121 174.600 -0.030 0.000 1.304 79 S CA 0.211 58.418 58.200 0.011 0.000 1.063 79 S CB 0.256 63.459 63.200 0.005 0.000 0.848 79 S HN 0.881 9.191 8.310 -0.000 0.000 0.499 80 A N 4.308 127.071 122.820 -0.094 0.000 2.168 80 A HA 0.254 4.578 4.320 0.006 0.000 0.215 80 A C 2.107 179.599 177.584 -0.155 0.000 1.152 80 A CA 1.225 53.108 52.037 -0.255 0.000 0.716 80 A CB -0.792 17.847 19.000 -0.602 0.000 0.794 80 A HN 1.134 9.284 8.150 -0.000 0.000 0.465 81 A N -0.298 122.482 122.820 -0.068 0.000 2.123 81 A HA 0.018 4.342 4.320 0.006 0.000 0.214 81 A C 1.387 178.977 177.584 0.011 0.000 1.152 81 A CA 1.278 53.297 52.037 -0.029 0.000 0.728 81 A CB -0.189 18.804 19.000 -0.012 0.000 0.814 81 A HN 0.370 8.520 8.150 -0.000 0.000 0.464 82 D N -0.205 120.207 120.400 0.020 0.000 2.323 82 D HA 0.130 4.773 4.640 0.006 0.000 0.209 82 D C 0.768 177.142 176.300 0.122 0.000 0.973 82 D CA 0.682 54.720 54.000 0.062 0.000 0.874 82 D CB 0.038 40.865 40.800 0.045 0.000 0.930 82 D HN 0.712 9.082 8.370 -0.000 0.000 0.521 83 I N -4.573 116.060 120.570 0.105 0.000 3.002 83 I HA 0.507 4.680 4.170 0.006 0.000 0.310 83 I C -0.639 175.599 176.117 0.201 0.000 1.087 83 I CA -1.549 59.862 61.300 0.185 0.000 1.017 83 I CB 1.721 39.829 38.000 0.180 0.000 1.226 83 I HN -0.235 7.975 8.210 -0.000 0.000 0.443 84 W N 3.759 125.152 121.300 0.155 0.000 2.190 84 W HA 0.541 5.206 4.660 0.007 0.000 0.330 84 W C -0.274 176.269 176.519 0.039 0.000 1.299 84 W CA 0.626 58.050 57.345 0.132 0.000 1.215 84 W CB 0.963 30.592 29.460 0.282 0.000 1.147 84 W HN 0.788 8.968 8.180 -0.000 0.000 0.563 85 T N 4.578 118.419 114.554 -1.187 0.000 2.900 85 T HA 0.570 4.923 4.350 0.006 0.000 0.295 85 T C -2.641 170.904 174.700 -1.926 0.000 1.044 85 T CA -2.175 59.171 62.100 -1.256 0.000 0.995 85 T CB 1.774 70.270 68.868 -0.619 0.000 1.072 85 T HN 0.340 8.580 8.240 -0.000 0.000 0.473 86 P HA 0.240 4.660 4.420 -0.000 0.000 0.274 86 P C -0.375 176.730 177.300 -0.325 0.000 1.231 86 P CA -0.217 62.401 63.100 -0.803 0.000 0.790 86 P CB 0.570 32.023 31.700 -0.412 0.000 0.951 87 D N 2.217 122.595 120.400 -0.037 0.000 3.085 87 D HA 0.064 4.708 4.640 0.006 0.000 0.243 87 D C 0.170 176.590 176.300 0.199 0.000 1.232 87 D CA -0.278 53.786 54.000 0.106 0.000 0.913 87 D CB -0.503 40.437 40.800 0.232 0.000 1.108 87 D HN 0.096 8.466 8.370 -0.000 0.000 0.468 88 I N 1.452 122.113 120.570 0.152 0.000 2.505 88 I HA 0.109 4.283 4.170 0.006 0.000 0.287 88 I C 0.492 176.779 176.117 0.283 0.000 1.104 88 I CA 0.192 61.628 61.300 0.228 0.000 1.387 88 I CB 0.079 38.184 38.000 0.176 0.000 1.404 88 I HN -0.018 8.192 8.210 -0.000 0.000 0.528 89 T N 4.878 119.645 114.554 0.355 0.000 2.900 89 T HA 0.632 4.986 4.350 0.006 0.000 0.295 89 T C 0.024 174.883 174.700 0.265 0.000 1.044 89 T CA -0.650 61.641 62.100 0.318 0.000 0.995 89 T CB 2.113 71.165 68.868 0.307 0.000 1.072 89 T HN 0.660 8.900 8.240 -0.000 0.000 0.473 90 A N 1.541 124.405 122.820 0.073 0.000 2.409 90 A HA 0.441 4.765 4.320 0.006 0.000 0.267 90 A C 0.269 177.870 177.584 0.028 0.000 1.127 90 A CA -0.249 51.574 52.037 -0.356 0.000 0.795 90 A CB -0.155 18.594 19.000 -0.417 0.000 1.061 90 A HN 0.889 9.039 8.150 -0.000 0.000 0.502 91 Y N 1.675 121.886 120.300 -0.147 0.000 2.561 91 Y HA -0.006 4.548 4.550 0.006 0.000 0.291 91 Y C 1.678 177.598 175.900 0.034 0.000 1.141 91 Y CA 0.875 59.006 58.100 0.052 0.000 1.303 91 Y CB -0.083 38.412 38.460 0.058 0.000 1.015 91 Y HN 0.726 9.006 8.280 -0.000 0.000 0.547 92 S N -1.586 114.179 115.700 0.107 0.000 2.901 92 S HA 0.230 4.704 4.470 0.006 0.000 0.248 92 S C 0.150 174.817 174.600 0.111 0.000 1.021 92 S CA -0.567 57.698 58.200 0.108 0.000 1.090 92 S CB -0.471 62.806 63.200 0.129 0.000 1.039 92 S HN 0.137 8.447 8.310 -0.000 0.000 0.514 93 S N 1.278 117.018 115.700 0.067 0.000 2.593 93 S HA 0.432 4.906 4.470 0.006 0.000 0.269 93 S C 1.011 175.647 174.600 0.060 0.000 1.334 93 S CA 0.272 58.524 58.200 0.086 0.000 1.015 93 S CB 0.964 64.192 63.200 0.046 0.000 0.912 93 S HN 0.631 8.941 8.310 -0.000 0.000 0.541 94 T N -1.836 112.754 114.554 0.059 0.000 3.003 94 T HA 0.378 4.732 4.350 0.006 0.000 0.261 94 T C 0.373 175.082 174.700 0.015 0.000 1.003 94 T CA -0.506 61.610 62.100 0.026 0.000 0.917 94 T CB 0.010 68.887 68.868 0.015 0.000 1.084 94 T HN 0.519 8.759 8.240 -0.000 0.000 0.522 95 R N 1.412 121.926 120.500 0.023 0.000 2.740 95 R HA 0.537 4.881 4.340 0.006 0.000 0.273 95 R C -3.278 173.028 176.300 0.010 0.000 0.998 95 R CA -2.155 53.953 56.100 0.013 0.000 0.900 95 R CB 0.727 31.040 30.300 0.021 0.000 1.223 95 R HN 0.067 8.337 8.270 -0.000 0.000 0.466 96 P HA 0.053 4.473 4.420 -0.000 0.000 0.263 96 P C -0.129 177.177 177.300 0.010 0.000 1.195 96 P CA -0.251 62.843 63.100 -0.010 0.000 0.762 96 P CB 0.401 32.090 31.700 -0.017 0.000 0.799 97 V N 4.529 124.458 119.914 0.024 0.000 2.694 97 V HA -0.100 4.024 4.120 0.006 0.000 0.306 97 V C 0.843 176.944 176.094 0.011 0.000 1.054 97 V CA 0.597 62.921 62.300 0.040 0.000 1.161 97 V CB -0.183 31.685 31.823 0.075 0.000 0.916 97 V HN 0.528 8.718 8.190 -0.000 0.000 0.490 98 Q N 3.186 122.983 119.800 -0.005 0.000 2.278 98 Q HA 0.429 4.773 4.340 0.006 0.000 0.257 98 Q C -0.819 175.154 176.000 -0.046 0.000 0.928 98 Q CA -0.528 55.262 55.803 -0.022 0.000 0.932 98 Q CB 1.890 30.614 28.738 -0.023 0.000 1.221 98 Q HN 0.630 8.900 8.270 -0.000 0.000 0.434 99 V N 5.204 125.096 119.914 -0.036 0.000 2.406 99 V HA 0.091 4.215 4.120 0.006 0.000 0.272 99 V C 0.815 176.876 176.094 -0.054 0.000 1.043 99 V CA 0.021 62.291 62.300 -0.048 0.000 0.915 99 V CB 0.796 32.611 31.823 -0.014 0.000 0.988 99 V HN 0.797 8.987 8.190 -0.000 0.000 0.466 100 L N 3.491 124.665 121.223 -0.081 0.000 2.590 100 L HA 0.218 4.562 4.340 0.006 0.000 0.227 100 L C 1.000 177.832 176.870 -0.064 0.000 1.099 100 L CA 0.262 55.057 54.840 -0.074 0.000 0.872 100 L CB 0.265 42.266 42.059 -0.097 0.000 1.088 100 L HN 0.766 8.996 8.230 -0.000 0.000 0.479 101 S N -1.090 114.571 115.700 -0.064 0.000 2.600 101 S HA 0.704 5.177 4.470 0.006 0.000 0.300 101 S C -2.687 171.905 174.600 -0.013 0.000 1.087 101 S CA -1.409 56.762 58.200 -0.049 0.000 0.965 101 S CB 1.588 64.742 63.200 -0.077 0.000 1.089 101 S HN -0.206 8.104 8.310 -0.000 0.000 0.496 102 P HA 0.190 4.610 4.420 -0.000 0.000 0.269 102 P C -0.745 176.618 177.300 0.105 0.000 1.215 102 P CA -0.251 62.874 63.100 0.042 0.000 0.780 102 P CB 0.229 31.951 31.700 0.036 0.000 0.898 103 Q N 2.162 122.046 119.800 0.140 0.000 3.027 103 Q HA 0.299 4.643 4.340 0.006 0.000 0.260 103 Q C -0.268 175.857 176.000 0.208 0.000 1.379 103 Q CA 0.281 56.242 55.803 0.263 0.000 1.038 103 Q CB -0.356 28.487 28.738 0.174 0.000 1.578 103 Q HN 0.472 8.742 8.270 -0.000 0.000 0.571 104 I N 0.365 121.096 120.570 0.268 0.000 2.545 104 I HA 0.598 4.772 4.170 0.006 0.000 0.292 104 I C -0.315 175.947 176.117 0.243 0.000 1.040 104 I CA -0.949 60.447 61.300 0.160 0.000 1.068 104 I CB 2.074 40.132 38.000 0.097 0.000 1.251 104 I HN 0.225 8.435 8.210 -0.000 0.000 0.424 105 A N 5.331 128.212 122.820 0.103 0.000 2.322 105 A HA 0.894 5.217 4.320 0.006 0.000 0.327 105 A C -0.917 176.643 177.584 -0.040 0.000 1.134 105 A CA -0.610 51.473 52.037 0.077 0.000 0.831 105 A CB 1.608 20.562 19.000 -0.077 0.000 1.288 105 A HN 0.416 8.566 8.150 -0.000 0.000 0.472 106 V N 1.305 121.159 119.914 -0.100 0.000 2.384 106 V HA 0.430 4.554 4.120 0.006 0.000 0.287 106 V C -0.505 175.418 176.094 -0.285 0.000 1.020 106 V CA -0.427 61.772 62.300 -0.169 0.000 0.850 106 V CB 1.274 33.035 31.823 -0.103 0.000 0.987 106 V HN 0.608 8.798 8.190 -0.000 0.000 0.436 107 V N 4.184 123.831 119.914 -0.445 0.000 2.435 107 V HA 0.528 4.652 4.120 0.006 0.000 0.290 107 V C 0.343 176.294 176.094 -0.238 0.000 1.030 107 V CA -0.262 61.764 62.300 -0.457 0.000 0.881 107 V CB 1.890 33.290 31.823 -0.705 0.000 0.983 107 V HN 0.918 9.108 8.190 -0.000 0.000 0.445 108 T N 3.092 117.529 114.554 -0.194 0.000 2.925 108 T HA 0.303 4.657 4.350 0.006 0.000 0.285 108 T C 1.252 175.578 174.700 -0.623 0.000 1.021 108 T CA -0.270 61.689 62.100 -0.235 0.000 1.042 108 T CB 0.992 69.700 68.868 -0.267 0.000 1.037 108 T HN 0.911 9.151 8.240 -0.000 0.000 0.481 109 H N 1.729 120.135 119.070 -1.107 0.000 2.492 109 H HA -0.117 4.443 4.556 0.006 0.000 0.296 109 H C 1.073 175.905 175.328 -0.825 0.000 1.095 109 H CA 1.713 56.678 56.048 -1.804 0.000 1.281 109 H CB -0.228 28.623 29.762 -1.518 0.000 1.374 109 H HN 0.654 8.934 8.280 -0.000 0.000 0.545 110 D N -0.104 119.692 120.400 -1.007 0.000 2.349 110 D HA 0.059 4.703 4.640 0.006 0.000 0.224 110 D C 1.581 177.676 176.300 -0.340 0.000 1.029 110 D CA 0.805 54.455 54.000 -0.583 0.000 0.879 110 D CB -0.505 39.971 40.800 -0.540 0.000 0.906 110 D HN 0.608 8.978 8.370 -0.000 0.000 0.528 111 G N 0.424 109.034 108.800 -0.318 0.000 2.175 111 G HA2 -0.277 3.687 3.960 0.006 0.000 0.244 111 G HA3 -0.277 3.687 3.960 0.006 0.000 0.244 111 G C 0.323 175.096 174.900 -0.212 0.000 0.982 111 G CA 0.348 45.345 45.100 -0.172 0.000 0.641 111 G HN 0.768 9.058 8.290 -0.000 0.000 0.527 112 S N -0.581 114.951 115.700 -0.280 0.000 2.565 112 S HA 0.729 5.202 4.470 0.006 0.000 0.276 112 S C 0.034 174.385 174.600 -0.414 0.000 1.326 112 S CA -0.130 57.876 58.200 -0.323 0.000 1.045 112 S CB 2.647 65.682 63.200 -0.275 0.000 0.918 112 S HN 1.129 9.439 8.310 -0.000 0.000 0.505 113 V N 3.648 123.173 119.914 -0.648 0.000 2.680 113 V HA 0.568 4.692 4.120 0.006 0.000 0.309 113 V C -0.294 175.365 176.094 -0.726 0.000 1.052 113 V CA -0.748 61.069 62.300 -0.804 0.000 0.908 113 V CB 1.754 32.784 31.823 -1.322 0.000 1.001 113 V HN 1.026 9.216 8.190 -0.000 0.000 0.431 114 M N 5.161 124.501 119.600 -0.434 0.000 2.197 114 M HA 0.628 5.112 4.480 0.006 0.000 0.301 114 M C -2.366 173.905 176.300 -0.047 0.000 0.987 114 M CA -0.551 54.611 55.300 -0.230 0.000 0.921 114 M CB 1.698 34.208 32.600 -0.150 0.000 1.569 114 M HN 0.709 8.999 8.290 -0.000 0.000 0.431 115 F N 6.975 126.849 119.950 -0.128 0.000 2.579 115 F HA 0.560 5.091 4.527 0.007 0.000 0.325 115 F C -1.671 174.132 175.800 0.005 0.000 1.162 115 F CA -0.900 57.093 58.000 -0.012 0.000 0.946 115 F CB 1.125 40.209 39.000 0.141 0.000 1.211 115 F HN 0.487 8.787 8.300 -0.000 0.000 0.447 116 I N 8.544 128.903 120.570 -0.350 0.000 2.620 116 I HA 0.256 4.429 4.170 0.006 0.000 0.280 116 I C -2.298 173.532 176.117 -0.479 0.000 1.143 116 I CA -1.656 59.431 61.300 -0.356 0.000 1.163 116 I CB 0.594 38.488 38.000 -0.177 0.000 1.461 116 I HN 0.329 8.539 8.210 -0.000 0.000 0.530 117 P HA 0.211 4.631 4.420 -0.000 0.000 0.276 117 P C -0.343 176.787 177.300 -0.284 0.000 1.235 117 P CA -0.141 62.662 63.100 -0.495 0.000 0.772 117 P CB 1.434 32.815 31.700 -0.531 0.000 0.871 118 A N 4.479 127.167 122.820 -0.220 0.000 2.320 118 A HA 0.409 4.733 4.320 0.006 0.000 0.287 118 A C 0.098 177.531 177.584 -0.252 0.000 1.181 118 A CA -0.258 51.652 52.037 -0.211 0.000 0.831 118 A CB 0.149 19.058 19.000 -0.151 0.000 1.102 118 A HN 0.597 8.747 8.150 -0.000 0.000 0.513 119 Q N 1.192 120.738 119.800 -0.422 0.000 2.451 119 Q HA 0.558 4.901 4.340 0.006 0.000 0.281 119 Q C -0.703 175.019 176.000 -0.462 0.000 1.099 119 Q CA -0.886 54.669 55.803 -0.414 0.000 0.806 119 Q CB 2.542 31.040 28.738 -0.400 0.000 1.419 119 Q HN 0.733 9.003 8.270 -0.000 0.000 0.427 120 R N 1.630 121.997 120.500 -0.222 0.000 2.265 120 R HA 0.490 4.834 4.340 0.006 0.000 0.328 120 R C -1.669 174.637 176.300 0.009 0.000 0.969 120 R CA -0.585 55.455 56.100 -0.101 0.000 0.832 120 R CB 0.757 31.029 30.300 -0.047 0.000 1.139 120 R HN 0.602 8.872 8.270 -0.000 0.000 0.457 121 L N 2.573 123.880 121.223 0.140 0.000 2.346 121 L HA 0.426 4.769 4.340 0.006 0.000 0.276 121 L C -0.943 176.091 176.870 0.273 0.000 1.006 121 L CA 0.032 55.026 54.840 0.257 0.000 0.817 121 L CB 2.218 44.555 42.059 0.464 0.000 1.272 121 L HN 0.483 8.713 8.230 -0.000 0.000 0.421 122 S N 4.717 120.546 115.700 0.216 0.000 2.520 122 S HA 0.693 5.167 4.470 0.006 0.000 0.324 122 S C -0.843 173.884 174.600 0.211 0.000 1.069 122 S CA -0.511 57.787 58.200 0.162 0.000 1.121 122 S CB -0.171 63.074 63.200 0.075 0.000 0.971 122 S HN 0.474 8.784 8.310 -0.000 0.000 0.463 123 F N 2.141 122.101 119.950 0.017 0.000 2.640 123 F HA 0.704 5.237 4.527 0.010 0.000 0.324 123 F C -0.622 175.179 175.800 0.001 0.000 1.077 123 F CA -1.659 56.340 58.000 -0.002 0.000 0.965 123 F CB 0.854 39.839 39.000 -0.025 0.000 1.351 123 F HN 0.261 8.561 8.300 -0.000 0.000 0.487 124 M N 2.824 122.410 119.600 -0.023 0.000 2.268 124 M HA 0.343 4.827 4.480 0.006 0.000 0.349 124 M C -0.774 175.394 176.300 -0.221 0.000 1.485 124 M CA 0.201 55.443 55.300 -0.097 0.000 1.094 124 M CB 0.276 32.894 32.600 0.030 0.000 1.843 124 M HN 0.739 9.029 8.290 -0.000 0.000 0.460 125 c N 3.985 122.415 118.600 -0.284 0.000 2.924 125 c HA 0.247 4.821 4.570 0.006 0.000 0.400 125 c C -1.180 172.827 174.090 -0.139 0.000 1.032 125 c CA -1.028 55.160 56.329 -0.236 0.000 1.236 125 c CB 1.134 43.346 42.510 -0.496 0.000 1.660 125 c HN 0.880 9.110 8.230 -0.000 0.000 0.510 126 D N 7.002 127.358 120.400 -0.073 0.000 2.336 126 D HA 0.330 4.974 4.640 0.006 0.000 0.249 126 D C -1.179 175.081 176.300 -0.067 0.000 1.213 126 D CA -1.658 52.306 54.000 -0.059 0.000 0.870 126 D CB 1.509 42.284 40.800 -0.041 0.000 1.076 126 D HN 0.548 8.918 8.370 -0.000 0.000 0.483 127 P HA 0.028 4.448 4.420 -0.000 0.000 0.253 127 P C -0.013 177.232 177.300 -0.091 0.000 1.260 127 P CA -0.183 62.869 63.100 -0.081 0.000 0.800 127 P CB -0.072 31.608 31.700 -0.034 0.000 1.162 128 T N 1.205 115.719 114.554 -0.066 0.000 2.800 128 T HA 0.254 4.607 4.350 0.006 0.000 0.283 128 T C 1.470 176.124 174.700 -0.077 0.000 0.999 128 T CA 1.769 63.837 62.100 -0.054 0.000 1.176 128 T CB -0.508 68.336 68.868 -0.040 0.000 0.973 128 T HN 0.414 8.654 8.240 -0.000 0.000 0.519 129 G N 2.390 111.151 108.800 -0.065 0.000 2.179 129 G HA2 -0.270 3.694 3.960 0.006 0.000 0.220 129 G HA3 -0.270 3.694 3.960 0.006 0.000 0.220 129 G C 1.043 175.884 174.900 -0.099 0.000 0.990 129 G CA 0.147 45.203 45.100 -0.073 0.000 0.646 129 G HN 0.702 8.992 8.290 -0.000 0.000 0.517 130 V N 1.817 121.665 119.914 -0.111 0.000 2.490 130 V HA -0.091 4.033 4.120 0.006 0.000 0.250 130 V C 2.440 178.542 176.094 0.014 0.000 1.061 130 V CA 3.051 65.284 62.300 -0.111 0.000 1.064 130 V CB -0.183 31.606 31.823 -0.057 0.000 0.670 130 V HN 0.670 8.860 8.190 -0.000 0.000 0.461 131 D N -0.057 120.360 120.400 0.029 0.000 2.355 131 D HA -0.021 4.623 4.640 0.006 0.000 0.218 131 D C 1.219 177.529 176.300 0.015 0.000 1.004 131 D CA 0.789 54.813 54.000 0.041 0.000 0.880 131 D CB -0.163 40.661 40.800 0.040 0.000 0.911 131 D HN 0.621 8.991 8.370 -0.000 0.000 0.528 132 S N -0.128 115.568 115.700 -0.007 0.000 2.645 132 S HA 0.149 4.623 4.470 0.006 0.000 0.266 132 S C 1.089 175.682 174.600 -0.011 0.000 1.258 132 S CA -0.526 57.666 58.200 -0.012 0.000 0.990 132 S CB 2.402 65.587 63.200 -0.025 0.000 0.967 132 S HN -0.129 8.181 8.310 -0.000 0.000 0.556 133 E N 0.619 120.814 120.200 -0.009 0.000 2.077 133 E HA -0.100 4.254 4.350 0.006 0.000 0.193 133 E C 1.642 178.234 176.600 -0.013 0.000 0.989 133 E CA 1.644 58.041 56.400 -0.007 0.000 0.800 133 E CB -0.321 29.376 29.700 -0.006 0.000 0.746 133 E HN 0.784 9.144 8.360 -0.000 0.000 0.452 134 E N -0.457 119.729 120.200 -0.024 0.000 2.208 134 E HA 0.159 4.513 4.350 0.006 0.000 0.193 134 E C 1.013 177.580 176.600 -0.054 0.000 0.988 134 E CA 0.714 57.094 56.400 -0.033 0.000 0.828 134 E CB -0.280 29.399 29.700 -0.035 0.000 0.763 134 E HN 0.343 8.703 8.360 -0.000 0.000 0.478 135 G N -0.379 108.379 108.800 -0.070 0.000 2.698 135 G HA2 -0.250 3.714 3.960 0.006 0.000 0.233 135 G HA3 -0.250 3.714 3.960 0.006 0.000 0.233 135 G C -0.631 174.146 174.900 -0.205 0.000 1.352 135 G CA -0.316 44.704 45.100 -0.134 0.000 0.879 135 G HN 0.354 8.644 8.290 -0.000 0.000 0.567 136 V N -0.046 119.634 119.914 -0.391 0.000 2.769 136 V HA 0.806 4.930 4.120 0.006 0.000 0.312 136 V C 0.300 176.160 176.094 -0.390 0.000 1.061 136 V CA 0.257 62.316 62.300 -0.402 0.000 0.931 136 V CB 2.234 33.773 31.823 -0.473 0.000 1.010 136 V HN 1.315 9.505 8.190 -0.000 0.000 0.433 137 T N 4.690 119.141 114.554 -0.172 0.000 2.794 137 T HA 0.580 4.934 4.350 0.006 0.000 0.280 137 T C -0.775 173.947 174.700 0.038 0.000 0.987 137 T CA -0.243 61.834 62.100 -0.038 0.000 0.993 137 T CB 0.898 69.757 68.868 -0.015 0.000 0.939 137 T HN 0.768 9.008 8.240 -0.000 0.000 0.449 138 c N 2.519 121.221 118.600 0.170 0.000 2.797 138 c HA 0.929 5.502 4.570 0.006 0.000 0.306 138 c C -0.084 174.152 174.090 0.243 0.000 1.207 138 c CA -0.639 55.839 56.329 0.249 0.000 1.507 138 c CB 1.084 43.822 42.510 0.380 0.000 2.028 138 c HN 1.071 9.301 8.230 -0.000 0.000 0.475 139 A N 1.587 124.538 122.820 0.218 0.000 2.435 139 A HA 0.916 5.240 4.320 0.006 0.000 0.304 139 A C -1.387 176.196 177.584 -0.002 0.000 1.064 139 A CA -0.512 51.563 52.037 0.064 0.000 0.727 139 A CB 1.659 20.676 19.000 0.029 0.000 1.284 139 A HN 1.323 9.473 8.150 -0.000 0.000 0.415 140 V N 1.883 121.645 119.914 -0.252 0.000 2.668 140 V HA 0.506 4.630 4.120 0.006 0.000 0.304 140 V C -0.976 174.855 176.094 -0.439 0.000 1.071 140 V CA -0.700 61.341 62.300 -0.431 0.000 0.894 140 V CB 1.850 33.125 31.823 -0.912 0.000 1.008 140 V HN 0.918 9.108 8.190 -0.000 0.000 0.425 141 K N 5.719 125.892 120.400 -0.379 0.000 2.205 141 K HA 0.597 4.921 4.320 0.006 0.000 0.279 141 K C -1.443 174.756 176.600 -0.668 0.000 1.027 141 K CA -0.033 56.034 56.287 -0.365 0.000 0.932 141 K CB 1.256 33.620 32.500 -0.228 0.000 1.032 141 K HN 0.551 8.801 8.250 -0.000 0.000 0.466 142 F N 0.537 120.284 119.950 -0.338 0.000 2.520 142 F HA 0.634 5.164 4.527 0.006 0.000 0.322 142 F C 0.697 176.343 175.800 -0.257 0.000 1.103 142 F CA -0.358 57.505 58.000 -0.229 0.000 0.926 142 F CB 2.502 41.538 39.000 0.060 0.000 1.154 142 F HN 0.653 8.953 8.300 -0.000 0.000 0.453 143 G N 0.330 109.118 108.800 -0.021 0.000 2.349 143 G HA2 0.359 4.323 3.960 0.006 0.000 0.294 143 G HA3 0.359 4.323 3.960 0.006 0.000 0.294 143 G C -1.587 173.531 174.900 0.363 0.000 1.380 143 G CA -0.928 44.243 45.100 0.119 0.000 0.811 143 G HN 0.618 8.908 8.290 -0.000 0.000 0.519 144 S N -0.503 115.427 115.700 0.383 0.000 2.560 144 S HA 0.124 4.598 4.470 0.006 0.000 0.284 144 S C 0.998 175.929 174.600 0.552 0.000 1.327 144 S CA 0.139 58.606 58.200 0.445 0.000 1.055 144 S CB 0.277 63.725 63.200 0.412 0.000 0.868 144 S HN 0.613 8.923 8.310 -0.000 0.000 0.506 145 W N 4.346 125.809 121.300 0.272 0.000 2.453 145 W HA 0.011 4.675 4.660 0.007 0.000 0.289 145 W C 1.332 177.913 176.519 0.104 0.000 1.215 145 W CA 1.358 58.771 57.345 0.113 0.000 1.297 145 W CB 0.107 29.595 29.460 0.048 0.000 1.113 145 W HN 0.738 8.918 8.180 -0.000 0.000 0.551 146 V N -3.363 116.681 119.914 0.218 0.000 3.562 146 V HA 0.265 4.389 4.120 0.006 0.000 0.270 146 V C -0.453 175.656 176.094 0.025 0.000 1.418 146 V CA -0.133 62.193 62.300 0.042 0.000 1.033 146 V CB -0.767 31.005 31.823 -0.085 0.000 0.820 146 V HN -0.047 8.143 8.190 -0.000 0.000 0.441 147 Y N 2.928 123.335 120.300 0.178 0.000 2.326 147 Y HA 0.689 5.242 4.550 0.006 0.000 0.337 147 Y C 1.200 176.873 175.900 -0.378 0.000 1.023 147 Y CA 0.167 58.259 58.100 -0.014 0.000 1.143 147 Y CB 1.493 39.986 38.460 0.054 0.000 1.183 147 Y HN 0.332 8.612 8.280 -0.000 0.000 0.485 148 S N 1.107 116.472 115.700 -0.558 0.000 2.641 148 S HA 0.254 4.728 4.470 0.006 0.000 0.261 148 S C 1.613 175.948 174.600 -0.442 0.000 1.257 148 S CA -0.253 57.351 58.200 -0.993 0.000 0.983 148 S CB 0.806 63.562 63.200 -0.740 0.000 0.990 148 S HN 0.912 9.222 8.310 -0.000 0.000 0.572 149 G N -0.325 108.167 108.800 -0.512 0.000 2.479 149 G HA2 -0.082 3.882 3.960 0.006 0.000 0.220 149 G HA3 -0.082 3.882 3.960 0.006 0.000 0.220 149 G C 0.725 175.424 174.900 -0.335 0.000 1.115 149 G CA 0.484 45.339 45.100 -0.408 0.000 0.757 149 G HN 0.622 8.912 8.290 -0.000 0.000 0.560 150 F N 0.508 120.413 119.950 -0.076 0.000 2.558 150 F HA 0.239 4.770 4.527 0.007 0.000 0.298 150 F C 2.390 178.173 175.800 -0.029 0.000 1.119 150 F CA 0.755 58.730 58.000 -0.041 0.000 1.451 150 F CB 0.137 39.116 39.000 -0.035 0.000 1.091 150 F HN 0.189 8.489 8.300 -0.000 0.000 0.563 151 E N -0.323 119.941 120.200 0.107 0.000 2.279 151 E HA 0.295 4.649 4.350 0.006 0.000 0.199 151 E C 0.173 176.758 176.600 -0.025 0.000 0.893 151 E CA 0.394 56.840 56.400 0.076 0.000 0.978 151 E CB 0.669 30.508 29.700 0.232 0.000 0.964 151 E HN 0.094 8.454 8.360 -0.000 0.000 0.486 152 I N 1.554 122.116 120.570 -0.013 0.000 2.418 152 I HA 0.290 4.463 4.170 0.006 0.000 0.287 152 I C -1.019 175.092 176.117 -0.009 0.000 1.008 152 I CA -0.899 60.389 61.300 -0.020 0.000 1.104 152 I CB 1.742 39.749 38.000 0.012 0.000 1.264 152 I HN -0.025 8.185 8.210 -0.000 0.000 0.438 153 D N 6.449 126.850 120.400 0.002 0.000 2.228 153 D HA 0.679 5.323 4.640 0.006 0.000 0.247 153 D C -1.049 175.271 176.300 0.034 0.000 0.995 153 D CA -0.177 53.825 54.000 0.005 0.000 0.903 153 D CB 1.701 42.502 40.800 0.002 0.000 1.205 153 D HN 0.283 8.653 8.370 -0.000 0.000 0.459 154 L N 1.711 122.955 121.223 0.037 0.000 2.341 154 L HA 0.594 4.938 4.340 0.006 0.000 0.267 154 L C -0.066 176.828 176.870 0.040 0.000 1.009 154 L CA -0.884 53.986 54.840 0.050 0.000 0.819 154 L CB 2.015 44.112 42.059 0.064 0.000 1.323 154 L HN 0.266 8.496 8.230 -0.000 0.000 0.425 155 K N 0.604 121.027 120.400 0.038 0.000 2.527 155 K HA 0.646 4.970 4.320 0.006 0.000 0.260 155 K C -1.365 175.246 176.600 0.020 0.000 0.937 155 K CA -0.457 55.847 56.287 0.028 0.000 0.826 155 K CB 2.466 34.982 32.500 0.026 0.000 1.359 155 K HN 0.731 8.981 8.250 -0.000 0.000 0.434 156 T N -0.956 113.608 114.554 0.017 0.000 2.887 156 T HA 0.319 4.673 4.350 0.006 0.000 0.288 156 T C 0.117 174.820 174.700 0.004 0.000 1.021 156 T CA -0.786 61.319 62.100 0.008 0.000 1.000 156 T CB 1.504 70.388 68.868 0.026 0.000 1.034 156 T HN 0.460 8.700 8.240 -0.000 0.000 0.467 157 D N 0.536 120.932 120.400 -0.005 0.000 2.249 157 D HA 0.117 4.760 4.640 0.006 0.000 0.205 157 D C 0.719 177.020 176.300 0.001 0.000 0.962 157 D CA 1.017 55.014 54.000 -0.005 0.000 0.860 157 D CB 0.568 41.360 40.800 -0.013 0.000 0.955 157 D HN 0.664 9.034 8.370 -0.000 0.000 0.505 158 T N -0.911 113.647 114.554 0.006 0.000 2.853 158 T HA 0.155 4.509 4.350 0.006 0.000 0.311 158 T C -0.761 173.952 174.700 0.021 0.000 1.307 158 T CA -0.645 61.462 62.100 0.011 0.000 1.019 158 T CB 1.823 70.697 68.868 0.010 0.000 1.264 158 T HN -0.394 7.846 8.240 -0.000 0.000 0.497 159 D N 1.081 121.493 120.400 0.021 0.000 2.348 159 D HA 0.123 4.767 4.640 0.006 0.000 0.211 159 D C 0.270 176.586 176.300 0.026 0.000 0.998 159 D CA 0.612 54.627 54.000 0.025 0.000 0.873 159 D CB 0.409 41.220 40.800 0.019 0.000 0.925 159 D HN 0.323 8.693 8.370 -0.000 0.000 0.524 160 Q N 0.716 120.530 119.800 0.024 0.000 2.274 160 Q HA 0.239 4.583 4.340 0.006 0.000 0.256 160 Q C -0.170 175.851 176.000 0.035 0.000 0.927 160 Q CA -0.444 55.373 55.803 0.023 0.000 0.939 160 Q CB 2.090 30.839 28.738 0.017 0.000 1.201 160 Q HN -0.072 8.198 8.270 -0.000 0.000 0.426 161 V N 2.489 122.426 119.914 0.038 0.000 2.715 161 V HA -0.051 4.073 4.120 0.006 0.000 0.299 161 V C 0.424 176.550 176.094 0.052 0.000 1.054 161 V CA -0.320 62.016 62.300 0.060 0.000 1.077 161 V CB 0.968 32.817 31.823 0.044 0.000 0.972 161 V HN 0.645 8.835 8.190 -0.000 0.000 0.484 162 D N 3.716 124.155 120.400 0.065 0.000 2.358 162 D HA 0.175 4.819 4.640 0.006 0.000 0.258 162 D C 0.421 176.772 176.300 0.085 0.000 1.223 162 D CA 0.285 54.321 54.000 0.060 0.000 0.886 162 D CB 0.722 41.551 40.800 0.049 0.000 1.120 162 D HN 0.447 8.817 8.370 -0.000 0.000 0.482 163 L N 2.824 124.093 121.223 0.076 0.000 2.808 163 L HA 0.055 4.399 4.340 0.006 0.000 0.246 163 L C 1.944 178.890 176.870 0.127 0.000 1.153 163 L CA -0.039 54.865 54.840 0.106 0.000 0.956 163 L CB 0.100 42.180 42.059 0.036 0.000 1.270 163 L HN 0.388 8.618 8.230 -0.000 0.000 0.528 164 S N -1.841 113.914 115.700 0.092 0.000 2.507 164 S HA -0.057 4.417 4.470 0.006 0.000 0.235 164 S C 1.463 176.119 174.600 0.093 0.000 0.988 164 S CA 0.914 59.161 58.200 0.080 0.000 0.944 164 S CB -0.028 63.203 63.200 0.052 0.000 0.762 164 S HN 0.287 8.597 8.310 -0.000 0.000 0.526 165 S N -0.363 115.407 115.700 0.116 0.000 2.629 165 S HA 0.307 4.781 4.470 0.006 0.000 0.236 165 S C -0.238 174.443 174.600 0.135 0.000 1.010 165 S CA -0.721 57.541 58.200 0.103 0.000 0.981 165 S CB -0.173 63.068 63.200 0.069 0.000 0.919 165 S HN 0.631 8.941 8.310 -0.000 0.000 0.514 166 Y N 2.976 123.324 120.300 0.081 0.000 2.632 166 Y HA 0.112 4.665 4.550 0.005 0.000 0.329 166 Y C 0.089 176.072 175.900 0.139 0.000 1.174 166 Y CA -0.776 57.386 58.100 0.103 0.000 1.469 166 Y CB 0.049 38.556 38.460 0.079 0.000 1.242 166 Y HN 0.275 8.555 8.280 -0.000 0.000 0.540 167 Y N 6.793 126.792 120.300 -0.501 0.000 2.770 167 Y HA 0.164 4.716 4.550 0.005 0.000 0.342 167 Y C 1.006 176.821 175.900 -0.141 0.000 1.221 167 Y CA -0.324 57.599 58.100 -0.296 0.000 1.560 167 Y CB 0.327 38.592 38.460 -0.325 0.000 1.213 167 Y HN 0.818 9.098 8.280 -0.000 0.000 0.525 168 A N 3.629 126.297 122.820 -0.254 0.000 1.883 168 A HA -0.163 4.160 4.320 0.006 0.000 0.217 168 A C 1.982 179.301 177.584 -0.442 0.000 1.186 168 A CA 1.947 53.854 52.037 -0.216 0.000 0.624 168 A CB -0.705 18.221 19.000 -0.124 0.000 0.822 168 A HN 0.674 8.824 8.150 -0.000 0.000 0.444 169 S N 0.224 115.331 115.700 -0.989 0.000 2.763 169 S HA 0.198 4.672 4.470 0.006 0.000 0.237 169 S C 0.698 174.891 174.600 -0.678 0.000 0.966 169 S CA 0.297 58.041 58.200 -0.759 0.000 1.017 169 S CB -0.498 62.374 63.200 -0.546 0.000 0.780 169 S HN 0.577 8.887 8.310 -0.000 0.000 0.476 170 S N 1.445 116.811 115.700 -0.557 0.000 2.584 170 S HA 0.133 4.607 4.470 0.006 0.000 0.270 170 S C 1.397 175.950 174.600 -0.079 0.000 1.346 170 S CA -0.330 57.818 58.200 -0.087 0.000 1.018 170 S CB 0.476 63.684 63.200 0.013 0.000 0.899 170 S HN 0.218 8.528 8.310 -0.000 0.000 0.542 171 K N 1.482 121.809 120.400 -0.122 0.000 2.283 171 K HA -0.011 4.312 4.320 0.006 0.000 0.202 171 K C -0.442 175.774 176.600 -0.639 0.000 1.048 171 K CA 1.029 57.057 56.287 -0.432 0.000 0.948 171 K CB -0.163 31.952 32.500 -0.642 0.000 0.742 171 K HN 0.656 8.906 8.250 -0.000 0.000 0.458 172 Y N 1.296 121.695 120.300 0.165 0.000 2.409 172 Y HA 0.188 4.739 4.550 0.002 0.000 0.343 172 Y C 0.150 176.198 175.900 0.247 0.000 0.973 172 Y CA -1.476 56.757 58.100 0.222 0.000 1.064 172 Y CB 1.243 39.856 38.460 0.254 0.000 1.207 172 Y HN -0.018 8.262 8.280 -0.000 0.000 0.452 173 E N 2.714 123.091 120.200 0.296 0.000 2.242 173 E HA 0.514 4.868 4.350 0.006 0.000 0.275 173 E C -1.020 175.631 176.600 0.084 0.000 1.002 173 E CA -0.797 55.696 56.400 0.155 0.000 0.841 173 E CB 1.581 31.338 29.700 0.094 0.000 1.109 173 E HN 0.358 8.718 8.360 -0.000 0.000 0.394 174 I N 3.754 124.241 120.570 -0.138 0.000 2.342 174 I HA 0.056 4.229 4.170 0.006 0.000 0.291 174 I C 1.007 177.096 176.117 -0.047 0.000 1.010 174 I CA -0.381 60.835 61.300 -0.140 0.000 1.308 174 I CB 0.836 38.606 38.000 -0.384 0.000 1.400 174 I HN 0.784 8.994 8.210 -0.000 0.000 0.488 175 L N 4.145 125.378 121.223 0.016 0.000 2.253 175 L HA 0.085 4.429 4.340 0.006 0.000 0.205 175 L C 0.719 177.588 176.870 -0.002 0.000 1.078 175 L CA 0.554 55.399 54.840 0.009 0.000 0.805 175 L CB -0.015 42.055 42.059 0.018 0.000 0.963 175 L HN 0.804 9.034 8.230 -0.000 0.000 0.459 176 S N -0.839 114.864 115.700 0.004 0.000 2.543 176 S HA 0.764 5.237 4.470 0.006 0.000 0.274 176 S C -1.173 173.427 174.600 0.001 0.000 1.149 176 S CA -0.337 57.862 58.200 -0.001 0.000 0.866 176 S CB 2.302 65.505 63.200 0.005 0.000 1.111 176 S HN 0.081 8.391 8.310 -0.000 0.000 0.457 177 A N 1.823 124.637 122.820 -0.009 0.000 2.442 177 A HA 0.769 5.092 4.320 0.006 0.000 0.284 177 A C -0.484 177.095 177.584 -0.009 0.000 1.058 177 A CA -0.545 51.483 52.037 -0.014 0.000 0.738 177 A CB 1.493 20.475 19.000 -0.030 0.000 1.242 177 A HN 0.849 8.999 8.150 -0.000 0.000 0.421 178 T N 2.479 117.024 114.554 -0.014 0.000 2.863 178 T HA 0.602 4.956 4.350 0.006 0.000 0.285 178 T C -0.705 173.988 174.700 -0.012 0.000 1.009 178 T CA -0.414 61.684 62.100 -0.004 0.000 0.989 178 T CB 1.435 70.303 68.868 0.000 0.000 1.004 178 T HN 0.735 8.975 8.240 -0.000 0.000 0.455 179 Q N 0.924 120.738 119.800 0.024 0.000 2.394 179 Q HA 0.592 4.936 4.340 0.006 0.000 0.261 179 Q C -1.142 174.893 176.000 0.058 0.000 1.023 179 Q CA -0.995 54.842 55.803 0.057 0.000 0.720 179 Q CB 0.859 29.702 28.738 0.175 0.000 1.241 179 Q HN 0.621 8.891 8.270 -0.000 0.000 0.483 180 T N -0.188 114.392 114.554 0.043 0.000 2.848 180 T HA 0.454 4.807 4.350 0.006 0.000 0.285 180 T C -0.307 174.419 174.700 0.044 0.000 0.995 180 T CA -0.940 61.183 62.100 0.038 0.000 0.970 180 T CB 2.014 70.897 68.868 0.024 0.000 0.976 180 T HN 0.635 8.875 8.240 -0.000 0.000 0.441 181 R N 2.356 122.882 120.500 0.044 0.000 2.489 181 R HA 0.255 4.599 4.340 0.006 0.000 0.287 181 R C -0.292 176.028 176.300 0.034 0.000 1.053 181 R CA 0.106 56.232 56.100 0.043 0.000 1.036 181 R CB 0.331 30.653 30.300 0.036 0.000 0.966 181 R HN 0.875 9.145 8.270 -0.000 0.000 0.432 182 Q N 1.787 121.610 119.800 0.038 0.000 2.418 182 Q HA 0.451 4.795 4.340 0.006 0.000 0.282 182 Q C -1.573 174.452 176.000 0.041 0.000 1.044 182 Q CA -1.061 54.763 55.803 0.035 0.000 0.813 182 Q CB 2.221 30.980 28.738 0.035 0.000 1.428 182 Q HN 0.373 8.643 8.270 -0.000 0.000 0.402 183 V N 1.429 121.358 119.914 0.026 0.000 2.409 183 V HA 0.495 4.619 4.120 0.006 0.000 0.291 183 V C -1.279 174.815 176.094 -0.000 0.000 1.020 183 V CA -0.007 62.299 62.300 0.009 0.000 0.848 183 V CB 1.542 33.347 31.823 -0.030 0.000 0.990 183 V HN 0.765 8.955 8.190 -0.000 0.000 0.430 184 Q N 4.011 123.808 119.800 -0.005 0.000 2.416 184 Q HA 0.583 4.927 4.340 0.006 0.000 0.279 184 Q C -1.449 174.409 176.000 -0.236 0.000 1.101 184 Q CA -0.641 55.099 55.803 -0.105 0.000 0.830 184 Q CB 2.658 31.285 28.738 -0.186 0.000 1.402 184 Q HN 0.953 9.223 8.270 -0.000 0.000 0.445 185 H N -0.645 118.259 119.070 -0.276 0.000 2.529 185 H HA 0.571 5.131 4.556 0.006 0.000 0.348 185 H C -1.111 173.914 175.328 -0.506 0.000 1.152 185 H CA -0.178 55.757 56.048 -0.189 0.000 1.202 185 H CB 1.188 30.899 29.762 -0.084 0.000 1.562 185 H HN 0.385 8.665 8.280 -0.000 0.000 0.515 186 Y N -0.583 119.749 120.300 0.053 0.000 2.576 186 Y HA 0.178 4.731 4.550 0.006 0.000 0.346 186 Y C 1.306 177.178 175.900 -0.047 0.000 1.018 186 Y CA -0.799 57.259 58.100 -0.070 0.000 1.050 186 Y CB 2.030 40.333 38.460 -0.261 0.000 1.280 186 Y HN 0.625 8.905 8.280 -0.000 0.000 0.474 187 S N -0.090 115.660 115.700 0.083 0.000 2.383 187 S HA -0.246 4.228 4.470 0.006 0.000 0.229 187 S C 2.031 176.641 174.600 0.016 0.000 1.030 187 S CA 1.762 59.982 58.200 0.032 0.000 1.002 187 S CB -0.614 62.595 63.200 0.015 0.000 0.829 187 S HN 0.917 9.227 8.310 -0.000 0.000 0.467 188 C N 1.092 120.382 119.300 -0.017 0.000 2.432 188 C HA 0.082 4.546 4.460 0.006 0.000 0.277 188 C C 1.286 176.266 174.990 -0.016 0.000 1.249 188 C CA -1.093 57.894 59.018 -0.053 0.000 1.725 188 C CB -1.645 26.003 27.740 -0.154 0.000 2.028 188 C HN 0.527 8.757 8.230 -0.000 0.000 0.477 189 C N 1.063 120.373 119.300 0.016 0.000 2.563 189 C HA 0.584 5.047 4.460 0.006 0.000 0.314 189 C C -0.946 174.149 174.990 0.174 0.000 1.199 189 C CA -0.632 58.440 59.018 0.091 0.000 1.564 189 C CB 1.371 29.169 27.740 0.096 0.000 2.173 189 C HN 0.432 8.662 8.230 -0.000 0.000 0.485 190 P HA 0.045 4.465 4.420 -0.000 0.000 0.224 190 P C 0.060 177.549 177.300 0.316 0.000 1.159 190 P CA 0.794 64.025 63.100 0.218 0.000 0.824 190 P CB 0.351 32.142 31.700 0.153 0.000 0.833 191 E N 2.240 122.616 120.200 0.293 0.000 2.383 191 E HA 0.173 4.526 4.350 0.006 0.000 0.264 191 E C -2.120 174.506 176.600 0.043 0.000 1.050 191 E CA -1.861 54.690 56.400 0.251 0.000 0.896 191 E CB -0.174 29.675 29.700 0.248 0.000 0.982 191 E HN 0.259 8.619 8.360 -0.000 0.000 0.424 192 P HA 0.068 4.488 4.420 -0.000 0.000 0.287 192 P C -1.364 175.785 177.300 -0.251 0.000 1.281 192 P CA -0.007 62.780 63.100 -0.522 0.000 0.781 192 P CB 0.328 31.674 31.700 -0.589 0.000 0.903 193 Y N 2.951 123.172 120.300 -0.131 0.000 2.320 193 Y HA 0.416 4.970 4.550 0.007 0.000 0.324 193 Y C 1.047 176.978 175.900 0.052 0.000 1.190 193 Y CA -0.445 57.669 58.100 0.023 0.000 1.215 193 Y CB 1.075 39.624 38.460 0.149 0.000 1.221 193 Y HN 0.322 8.602 8.280 -0.000 0.000 0.486 194 I N 1.322 121.984 120.570 0.155 0.000 2.603 194 I HA 0.719 4.893 4.170 0.006 0.000 0.300 194 I C -1.261 174.948 176.117 0.153 0.000 1.017 194 I CA -0.385 60.981 61.300 0.111 0.000 1.098 194 I CB 2.088 40.099 38.000 0.019 0.000 1.279 194 I HN 0.706 8.916 8.210 -0.000 0.000 0.437 195 D N 3.829 124.291 120.400 0.103 0.000 2.570 195 D HA 0.578 5.222 4.640 0.006 0.000 0.244 195 D C -1.641 174.691 176.300 0.052 0.000 1.178 195 D CA -0.774 53.249 54.000 0.037 0.000 0.881 195 D CB 2.030 42.782 40.800 -0.080 0.000 1.453 195 D HN 0.386 8.756 8.370 -0.000 0.000 0.447 196 V N 1.330 121.292 119.914 0.081 0.000 2.357 196 V HA 0.409 4.532 4.120 0.006 0.000 0.284 196 V C -0.539 175.615 176.094 0.099 0.000 1.018 196 V CA -0.791 61.587 62.300 0.130 0.000 0.841 196 V CB 0.894 32.858 31.823 0.235 0.000 0.991 196 V HN 0.627 8.817 8.190 -0.000 0.000 0.437 197 N N 4.395 123.118 118.700 0.038 0.000 2.420 197 N HA 0.309 5.052 4.740 0.006 0.000 0.249 197 N C -0.828 174.648 175.510 -0.057 0.000 1.033 197 N CA -0.388 52.650 53.050 -0.019 0.000 0.944 197 N CB 1.202 39.682 38.487 -0.012 0.000 1.113 197 N HN 0.569 8.949 8.380 -0.000 0.000 0.502 198 L N 5.406 126.542 121.223 -0.144 0.000 2.268 198 L HA 0.448 4.792 4.340 0.006 0.000 0.289 198 L C -1.221 175.548 176.870 -0.169 0.000 1.064 198 L CA -0.367 54.322 54.840 -0.252 0.000 0.824 198 L CB 0.578 42.332 42.059 -0.507 0.000 1.202 198 L HN 0.282 8.512 8.230 -0.000 0.000 0.433 199 V N 6.031 125.890 119.914 -0.091 0.000 2.384 199 V HA 0.549 4.673 4.120 0.006 0.000 0.287 199 V C -0.492 175.600 176.094 -0.003 0.000 1.020 199 V CA -0.606 61.678 62.300 -0.027 0.000 0.850 199 V CB 1.705 33.525 31.823 -0.005 0.000 0.987 199 V HN 0.544 8.734 8.190 -0.000 0.000 0.436 200 V N 5.618 125.567 119.914 0.057 0.000 2.577 200 V HA 0.591 4.715 4.120 0.006 0.000 0.303 200 V C -0.513 175.712 176.094 0.219 0.000 1.042 200 V CA -0.635 61.728 62.300 0.105 0.000 0.872 200 V CB 1.680 33.545 31.823 0.071 0.000 0.998 200 V HN 0.883 9.073 8.190 -0.000 0.000 0.423 201 K N 6.677 127.168 120.400 0.151 0.000 2.234 201 K HA 0.618 4.942 4.320 0.006 0.000 0.277 201 K C -1.290 175.426 176.600 0.194 0.000 1.038 201 K CA -0.414 55.937 56.287 0.107 0.000 0.888 201 K CB 1.064 33.581 32.500 0.027 0.000 1.091 201 K HN 0.753 9.003 8.250 -0.000 0.000 0.467 202 F N 1.627 121.578 119.950 0.001 0.000 2.685 202 F HA 0.629 5.158 4.527 0.003 0.000 0.315 202 F C -1.127 174.706 175.800 0.055 0.000 1.126 202 F CA -1.242 56.772 58.000 0.023 0.000 0.950 202 F CB 1.047 40.069 39.000 0.036 0.000 1.360 202 F HN 0.532 8.832 8.300 -0.000 0.000 0.469 203 R N 0.030 120.681 120.500 0.251 0.000 2.764 203 R HA 0.460 4.804 4.340 0.006 0.000 0.270 203 R C -1.608 174.914 176.300 0.370 0.000 1.014 203 R CA -0.937 55.270 56.100 0.178 0.000 0.904 203 R CB 1.693 32.031 30.300 0.063 0.000 1.236 203 R HN 0.787 9.057 8.270 -0.000 0.000 0.466 204 E N 1.824 122.206 120.200 0.304 0.000 2.417 204 E HA 0.006 4.360 4.350 0.006 0.000 0.261 204 E C -0.469 176.171 176.600 0.067 0.000 1.000 204 E CA 0.065 56.574 56.400 0.182 0.000 0.919 204 E CB 0.904 30.673 29.700 0.115 0.000 0.955 204 E HN 0.209 8.569 8.360 -0.000 0.000 0.455 205 R N 3.470 123.965 120.500 -0.008 0.000 2.340 205 R HA 0.107 4.451 4.340 0.006 0.000 0.300 205 R C -0.081 176.202 176.300 -0.028 0.000 1.069 205 R CA -0.342 55.754 56.100 -0.007 0.000 0.984 205 R CB 0.568 30.853 30.300 -0.025 0.000 1.003 205 R HN 0.427 8.697 8.270 -0.000 0.000 0.459 206 R N 2.270 122.763 120.500 -0.012 0.000 2.389 206 R HA 0.126 4.469 4.340 0.006 0.000 0.295 206 R C 0.050 176.335 176.300 -0.024 0.000 1.075 206 R CA -0.153 55.938 56.100 -0.015 0.000 1.005 206 R CB 1.109 31.405 30.300 -0.006 0.000 0.987 206 R HN 0.675 8.945 8.270 -0.000 0.000 0.452 207 A N 2.061 124.865 122.820 -0.027 0.000 2.583 207 A HA 0.400 4.724 4.320 0.006 0.000 0.231 207 A C 0.584 178.154 177.584 -0.022 0.000 1.065 207 A CA 0.862 52.882 52.037 -0.028 0.000 0.760 207 A CB 0.215 19.201 19.000 -0.023 0.000 1.001 207 A HN 0.854 9.004 8.150 -0.000 0.000 0.509 208 G N 0.000 108.786 108.800 -0.024 0.000 5.446 208 G HA2 0.000 3.964 3.960 0.006 0.000 0.244 208 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 208 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 208 G HN 0.000 8.290 8.290 -0.000 0.000 0.925