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 3lgv_1_A DATA FIRST_RESID 36 DATA SEQUENCE QFDSTDETPA SYNLAVRRAA PAVVNVYNRG LNXXXXXXLE IRTLGSGVIM DATA SEQUENCE DQRGYIITNK HVINDADQII VALQDGRVFE ALLVGSDSLT DLAVLKINAT DATA SEQUENCE GGLPTIPINA RRVPHIGDVV LAIGNPYNLG QTITQGIISA TGRIGXXXXX DATA SEQUENCE XXNFLQTDAS INPGNSGGAL VNSLGELMGI NTLSFDKSND GETPEGIGFA DATA SEQUENCE IPFQLATKIM DKLIRDG 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 36 Q HA 0.000 4.408 4.340 0.113 0.000 0.214 36 Q C 0.000 176.109 176.000 0.181 0.000 1.003 36 Q CA 0.000 55.865 55.803 0.104 0.000 1.022 36 Q CB 0.000 28.788 28.738 0.083 0.000 1.108 37 F N 0.699 120.647 119.950 -0.003 0.000 2.703 37 F HA 0.068 4.593 4.527 -0.003 0.000 0.308 37 F C -2.017 173.780 175.800 -0.004 0.000 1.126 37 F CA -0.545 57.453 58.000 -0.003 0.000 0.959 37 F CB 1.948 40.946 39.000 -0.004 0.000 1.297 37 F HN -0.123 8.292 8.300 0.193 0.000 0.441 38 D N 2.942 123.362 120.400 0.034 0.000 2.396 38 D HA 0.229 4.916 4.640 0.077 0.000 0.225 38 D C -0.438 175.998 176.300 0.226 0.000 1.121 38 D CA -0.570 53.475 54.000 0.075 0.000 0.853 38 D CB 0.516 41.280 40.800 -0.061 0.000 1.043 38 D HN 0.082 8.230 8.370 -0.371 0.000 0.500 39 S N 5.069 120.878 115.700 0.182 0.000 2.614 39 S HA 0.162 4.862 4.470 0.167 -0.129 0.230 39 S C 0.994 175.638 174.600 0.073 0.000 0.952 39 S CA -0.025 58.256 58.200 0.135 0.000 0.949 39 S CB -0.289 62.964 63.200 0.088 0.000 0.786 39 S HN 0.407 8.804 8.310 0.145 0.000 0.478 40 T N 2.744 117.334 114.554 0.060 0.000 2.833 40 T HA -0.182 4.185 4.350 0.029 0.000 0.269 40 T C 0.517 175.233 174.700 0.028 0.000 1.054 40 T CA 3.168 65.288 62.100 0.033 0.000 1.135 40 T CB -0.007 68.873 68.868 0.020 0.000 0.869 40 T HN -0.447 7.963 8.240 0.064 -0.132 0.466 41 D N -1.269 119.153 120.400 0.037 0.000 2.407 41 D HA 0.137 4.789 4.640 0.020 0.000 0.208 41 D C -0.233 176.085 176.300 0.030 0.000 1.083 41 D CA 0.150 54.166 54.000 0.028 0.000 0.844 41 D CB 0.484 41.300 40.800 0.026 0.000 0.967 41 D HN 0.253 8.632 8.370 0.049 0.020 0.506 42 E N -0.112 120.112 120.200 0.040 0.000 2.408 42 E HA 0.001 4.366 4.350 0.025 0.000 0.259 42 E C -0.718 175.887 176.600 0.008 0.000 1.110 42 E CA 0.744 57.160 56.400 0.026 0.000 0.929 42 E CB 0.787 30.504 29.700 0.028 0.000 0.971 42 E HN -0.344 7.940 8.360 0.053 0.107 0.438 43 T N 3.588 118.139 114.554 -0.005 0.000 2.770 43 T HA 0.291 4.633 4.350 -0.013 0.000 0.283 43 T C -1.976 172.705 174.700 -0.031 0.000 0.988 43 T CA -2.532 59.559 62.100 -0.016 0.000 0.957 43 T CB 0.439 69.296 68.868 -0.018 0.000 0.930 43 T HN -0.063 8.173 8.240 -0.007 0.000 0.443 44 P HA 0.054 4.445 4.420 -0.047 0.000 0.271 44 P C -0.874 176.377 177.300 -0.081 0.000 1.220 44 P CA -0.241 62.828 63.100 -0.050 0.000 0.768 44 P CB 0.448 32.124 31.700 -0.041 0.000 0.848 45 A N 3.104 125.863 122.820 -0.103 0.000 2.548 45 A HA -0.047 4.173 4.320 -0.167 0.000 0.247 45 A C -0.471 176.966 177.584 -0.245 0.000 1.067 45 A CA 0.899 52.834 52.037 -0.170 0.000 0.757 45 A CB 0.154 19.056 19.000 -0.163 0.000 0.996 45 A HN 0.183 8.281 8.150 -0.088 0.000 0.504 46 S N 1.949 117.445 115.700 -0.341 0.000 2.550 46 S HA 0.121 4.382 4.470 -0.349 0.000 0.270 46 S C -0.739 173.588 174.600 -0.454 0.000 1.145 46 S CA -0.360 57.635 58.200 -0.341 0.000 0.852 46 S CB 0.944 64.060 63.200 -0.140 0.000 1.119 46 S HN -0.050 8.057 8.310 -0.338 0.000 0.465 47 Y N 2.010 122.311 120.300 0.002 0.000 2.681 47 Y HA 0.184 4.734 4.550 0.001 0.000 0.267 47 Y C 0.095 175.996 175.900 0.001 0.000 1.166 47 Y CA -0.763 57.338 58.100 0.001 0.000 1.209 47 Y CB -0.105 38.356 38.460 0.001 0.000 1.161 47 Y HN 0.214 8.440 8.280 -0.089 0.000 0.534 48 N N 1.544 120.289 118.700 0.075 0.000 2.272 48 N HA -0.358 4.420 4.740 0.063 0.000 0.185 48 N C 1.053 176.593 175.510 0.050 0.000 1.014 48 N CA 3.280 56.362 53.050 0.054 0.000 0.870 48 N CB 0.296 38.795 38.487 0.020 0.000 0.975 48 N HN -0.300 8.021 8.380 0.020 0.071 0.433 49 L N -0.615 120.639 121.223 0.051 0.000 2.017 49 L HA -0.267 4.091 4.340 0.030 0.000 0.208 49 L C 0.930 177.828 176.870 0.046 0.000 1.073 49 L CA 2.918 57.783 54.840 0.042 0.000 0.745 49 L CB -0.339 41.744 42.059 0.040 0.000 0.894 49 L HN -0.199 8.043 8.230 0.052 0.019 0.432 50 A N -2.293 120.569 122.820 0.070 0.000 1.940 50 A HA -0.409 3.930 4.320 0.031 0.000 0.219 50 A C 2.126 179.732 177.584 0.036 0.000 1.176 50 A CA 2.972 55.039 52.037 0.049 0.000 0.631 50 A CB -0.934 18.101 19.000 0.058 0.000 0.814 50 A HN -0.627 7.583 8.150 0.101 0.000 0.446 51 V N -1.577 118.366 119.914 0.049 0.000 2.307 51 V HA -0.596 3.543 4.120 0.031 0.000 0.245 51 V C 2.388 178.499 176.094 0.027 0.000 1.045 51 V CA 4.176 66.499 62.300 0.037 0.000 1.024 51 V CB -0.335 31.515 31.823 0.046 0.000 0.651 51 V HN -0.699 7.445 8.190 0.066 0.085 0.449 52 R N -1.618 118.898 120.500 0.027 0.000 2.193 52 R HA -0.274 4.079 4.340 0.021 0.000 0.229 52 R C 2.057 178.367 176.300 0.017 0.000 1.110 52 R CA 3.111 59.224 56.100 0.021 0.000 0.988 52 R CB -0.291 30.021 30.300 0.020 0.000 0.871 52 R HN -0.471 7.818 8.270 0.031 0.000 0.458 53 R N -3.387 117.122 120.500 0.014 0.000 2.112 53 R HA -0.047 4.297 4.340 0.007 0.000 0.216 53 R C 0.672 176.974 176.300 0.003 0.000 1.080 53 R CA 2.427 58.532 56.100 0.007 0.000 0.996 53 R CB 0.543 30.845 30.300 0.002 0.000 0.902 53 R HN -0.625 7.622 8.270 0.017 0.034 0.449 54 A N -2.790 120.032 122.820 0.003 0.000 1.963 54 A HA 0.198 4.515 4.320 -0.006 0.000 0.207 54 A C 1.448 179.036 177.584 0.007 0.000 1.243 54 A CA 1.359 53.395 52.037 -0.002 0.000 0.728 54 A CB 0.444 19.438 19.000 -0.011 0.000 0.895 54 A HN -0.494 7.660 8.150 0.007 0.000 0.467 55 A N -0.002 122.825 122.820 0.012 0.000 1.927 55 A HA -0.151 4.178 4.320 0.016 0.000 0.220 55 A C -1.149 176.449 177.584 0.022 0.000 1.185 55 A CA 4.341 56.389 52.037 0.018 0.000 0.639 55 A CB -2.432 16.581 19.000 0.021 0.000 0.820 55 A HN -0.128 8.030 8.150 0.013 0.000 0.451 56 P HA -0.210 4.230 4.420 0.033 0.000 0.226 56 P C -0.693 176.626 177.300 0.033 0.000 1.146 56 P CA 1.393 64.511 63.100 0.029 0.000 0.773 56 P CB -0.432 31.284 31.700 0.027 0.000 0.772 57 A N -5.529 117.306 122.820 0.026 0.000 2.348 57 A HA 0.290 4.629 4.320 0.032 0.000 0.224 57 A C -1.734 175.867 177.584 0.028 0.000 1.227 57 A CA -0.883 51.170 52.037 0.027 0.000 0.885 57 A CB 1.428 20.439 19.000 0.017 0.000 0.933 57 A HN -0.416 7.690 8.150 0.021 0.057 0.506 58 V N 0.225 120.155 119.914 0.026 0.000 2.350 58 V HA 0.483 4.791 4.120 0.022 -0.176 0.276 58 V C -0.248 175.864 176.094 0.029 0.000 1.028 58 V CA -0.174 62.140 62.300 0.023 0.000 0.860 58 V CB 0.606 32.438 31.823 0.014 0.000 0.990 58 V HN -0.644 7.455 8.190 0.026 0.106 0.453 59 V N 2.041 121.974 119.914 0.032 0.000 2.850 59 V HA 0.430 4.668 4.120 0.057 -0.083 0.315 59 V C -1.051 175.049 176.094 0.010 0.000 1.064 59 V CA -3.142 59.185 62.300 0.046 0.000 0.979 59 V CB 2.650 34.517 31.823 0.074 0.000 1.039 59 V HN 0.213 8.420 8.190 0.028 0.000 0.452 60 N N 1.924 120.634 118.700 0.016 0.000 2.422 60 N HA 0.192 4.836 4.740 -0.160 0.000 0.264 60 N C -0.535 174.875 175.510 -0.166 0.000 1.063 60 N CA -1.017 51.967 53.050 -0.110 0.000 0.959 60 N CB 0.410 38.864 38.487 -0.054 0.000 1.087 60 N HN -0.074 8.345 8.380 0.066 0.000 0.483 61 V N 3.933 123.681 119.914 -0.276 0.000 2.439 61 V HA 0.284 4.540 4.120 -0.032 -0.156 0.282 61 V C -1.128 174.747 176.094 -0.365 0.000 1.039 61 V CA -0.431 61.764 62.300 -0.175 0.000 0.913 61 V CB 1.214 32.989 31.823 -0.080 0.000 0.983 61 V HN 0.058 8.080 8.190 -0.280 0.000 0.460 62 Y N 5.801 126.119 120.300 0.030 0.000 2.331 62 Y HA 0.220 4.784 4.550 0.024 0.000 0.334 62 Y C -1.471 174.445 175.900 0.026 0.000 0.960 62 Y CA -1.560 56.556 58.100 0.025 0.000 1.130 62 Y CB 2.374 40.847 38.460 0.022 0.000 1.164 62 Y HN 0.803 9.207 8.280 0.206 0.000 0.458 63 N N 4.285 123.070 118.700 0.141 0.000 2.406 63 N HA 0.127 4.922 4.740 0.092 0.000 0.251 63 N C -1.167 174.406 175.510 0.105 0.000 1.069 63 N CA -0.656 52.455 53.050 0.100 0.000 0.947 63 N CB 0.711 39.237 38.487 0.066 0.000 1.111 63 N HN 0.148 8.594 8.380 0.110 0.000 0.497 64 R N 5.199 125.751 120.500 0.088 0.000 2.536 64 R HA 0.816 5.371 4.340 0.067 -0.175 0.279 64 R C -0.609 175.718 176.300 0.046 0.000 1.001 64 R CA -1.140 54.998 56.100 0.063 0.000 1.027 64 R CB 3.439 33.767 30.300 0.047 0.000 1.096 64 R HN -0.138 8.183 8.270 0.084 0.000 0.502 65 G N -1.584 107.238 108.800 0.036 0.000 2.660 65 G HA2 0.766 4.875 3.960 0.028 0.000 0.294 65 G HA3 0.766 4.743 3.960 0.029 0.000 0.294 65 G C -2.533 172.380 174.900 0.021 0.000 1.369 65 G CA -0.987 44.130 45.100 0.028 0.000 0.912 65 G HN -0.185 8.126 8.290 0.035 0.000 0.479 66 L N 0.479 121.712 121.223 0.018 0.000 2.426 66 L HA -0.056 4.291 4.340 0.012 0.000 0.271 66 L C -0.207 176.670 176.870 0.012 0.000 1.169 66 L CA 1.267 56.115 54.840 0.013 0.000 0.836 66 L CB -0.290 41.776 42.059 0.012 0.000 1.112 66 L HN 0.027 8.507 8.230 0.018 -0.239 0.465 75 E N -1.734 118.471 120.200 0.008 0.000 2.370 75 E HA 0.311 4.663 4.350 0.004 0.000 0.259 75 E C -1.637 174.980 176.600 0.027 0.000 0.947 75 E CA -1.451 54.956 56.400 0.012 0.000 0.809 75 E CB 4.230 33.940 29.700 0.017 0.000 1.300 75 E HN -0.374 7.994 8.360 0.013 0.000 0.419 76 I N -0.608 119.986 120.570 0.040 0.000 2.330 76 I HA 0.124 4.470 4.170 0.087 -0.123 0.289 76 I C 0.006 176.167 176.117 0.074 0.000 1.001 76 I CA -0.171 61.176 61.300 0.078 0.000 1.193 76 I CB 0.680 38.750 38.000 0.116 0.000 1.345 76 I HN 0.265 8.496 8.210 0.035 0.000 0.461 77 R N 9.437 129.980 120.500 0.072 0.000 2.074 77 R HA 0.042 4.411 4.340 0.049 0.000 0.218 77 R C 0.172 176.507 176.300 0.058 0.000 1.137 77 R CA 0.898 57.032 56.100 0.056 0.000 0.998 77 R CB 1.462 31.791 30.300 0.048 0.000 0.895 77 R HN 0.673 8.989 8.270 0.078 0.000 0.442 78 T N -0.348 114.244 114.554 0.063 0.000 2.896 78 T HA 0.362 4.737 4.350 0.041 0.000 0.297 78 T C -2.587 172.136 174.700 0.040 0.000 1.108 78 T CA -1.152 60.976 62.100 0.046 0.000 1.004 78 T CB 3.025 71.915 68.868 0.037 0.000 1.159 78 T HN -0.618 7.664 8.240 0.071 0.000 0.499 79 L N -2.234 118.983 121.223 -0.010 0.000 2.466 79 L HA 0.831 5.211 4.340 -0.122 -0.114 0.258 79 L C -1.529 175.263 176.870 -0.130 0.000 0.973 79 L CA -1.150 53.626 54.840 -0.106 0.000 0.826 79 L CB 3.407 45.379 42.059 -0.145 0.000 1.372 79 L HN 0.088 8.311 8.230 -0.012 0.000 0.409 80 G N -0.547 108.145 108.800 -0.180 0.000 2.871 80 G HA2 0.581 4.589 3.960 -0.125 0.000 0.282 80 G HA3 0.581 4.488 3.960 -0.087 0.000 0.282 80 G C -1.994 172.813 174.900 -0.155 0.000 1.212 80 G CA 0.181 45.202 45.100 -0.132 0.000 0.812 80 G HN 0.102 8.252 8.290 -0.235 0.000 0.547 81 S N -0.721 114.925 115.700 -0.090 0.000 2.677 81 S HA 1.018 5.566 4.470 -0.092 -0.133 0.304 81 S C -0.775 173.806 174.600 -0.032 0.000 1.108 81 S CA -1.906 56.253 58.200 -0.069 0.000 0.944 81 S CB 3.678 66.850 63.200 -0.046 0.000 1.127 81 S HN 0.455 8.727 8.310 -0.064 0.000 0.511 82 G N -1.835 106.957 108.800 -0.013 0.000 2.684 82 G HA2 0.809 5.065 3.960 0.013 0.000 0.290 82 G HA3 0.809 4.777 3.960 0.014 0.000 0.290 82 G C -3.081 171.831 174.900 0.019 0.000 1.425 82 G CA -0.255 44.851 45.100 0.010 0.000 0.822 82 G HN -0.020 8.262 8.290 -0.013 0.000 0.482 83 V N -0.004 119.926 119.914 0.028 0.000 2.577 83 V HA 0.447 4.741 4.120 0.026 -0.158 0.303 83 V C -0.961 175.154 176.094 0.035 0.000 1.042 83 V CA -1.493 60.825 62.300 0.029 0.000 0.872 83 V CB 3.686 35.526 31.823 0.029 0.000 0.998 83 V HN 0.070 8.279 8.190 0.031 0.000 0.423 84 I N 7.670 128.259 120.570 0.031 0.000 2.436 84 I HA -0.048 4.274 4.170 0.034 -0.132 0.289 84 I C 0.101 176.237 176.117 0.033 0.000 1.083 84 I CA 1.021 62.338 61.300 0.029 0.000 1.372 84 I CB -0.275 37.735 38.000 0.018 0.000 1.408 84 I HN 0.512 8.739 8.210 0.029 0.000 0.516 85 M N 6.577 126.207 119.600 0.051 0.000 2.299 85 M HA 0.005 4.507 4.480 0.037 0.000 0.264 85 M C 0.042 176.370 176.300 0.047 0.000 1.095 85 M CA 0.208 55.538 55.300 0.050 0.000 1.165 85 M CB 0.408 33.046 32.600 0.063 0.000 1.349 85 M HN 0.024 8.354 8.290 0.067 0.000 0.446 86 D N -6.388 114.052 120.400 0.066 0.000 2.579 86 D HA 0.194 4.857 4.640 0.038 0.000 0.257 86 D C 0.236 176.561 176.300 0.040 0.000 1.176 86 D CA -1.639 52.396 54.000 0.057 0.000 0.914 86 D CB 1.015 41.862 40.800 0.079 0.000 1.431 86 D HN -0.781 7.641 8.370 0.086 0.000 0.454 87 Q N -2.594 117.221 119.800 0.024 0.000 2.437 87 Q HA -0.234 4.096 4.340 -0.016 0.000 0.210 87 Q C 0.726 176.712 176.000 -0.022 0.000 0.972 87 Q CA 2.016 57.817 55.803 -0.003 0.000 0.903 87 Q CB -0.373 28.364 28.738 -0.001 0.000 0.967 87 Q HN 0.455 8.742 8.270 0.027 0.000 0.486 88 R N -3.569 116.940 120.500 0.014 0.000 2.280 88 R HA -0.131 4.181 4.340 -0.046 0.000 0.207 88 R C 0.413 176.594 176.300 -0.198 0.000 1.043 88 R CA 0.670 56.753 56.100 -0.029 0.000 1.006 88 R CB 0.603 30.984 30.300 0.135 0.000 0.885 88 R HN -0.719 7.677 8.270 0.063 -0.088 0.467 89 G N -3.761 104.943 108.800 -0.160 0.000 2.144 89 G HA2 -0.383 3.462 3.960 -0.192 0.000 0.218 89 G HA3 -0.383 3.389 3.960 -0.314 0.000 0.218 89 G C -0.488 174.254 174.900 -0.263 0.000 0.988 89 G CA -0.171 44.782 45.100 -0.245 0.000 0.659 89 G HN -0.378 7.834 8.290 -0.067 0.037 0.522 90 Y N 0.608 120.880 120.300 -0.046 0.000 2.346 90 Y HA 0.261 4.987 4.550 -0.031 -0.195 0.330 90 Y C -0.676 175.210 175.900 -0.023 0.000 1.178 90 Y CA 1.202 59.283 58.100 -0.031 0.000 1.331 90 Y CB 0.981 39.429 38.460 -0.021 0.000 1.253 90 Y HN -1.014 7.471 8.280 0.048 -0.176 0.529 91 I N 0.175 120.831 120.570 0.143 0.000 2.582 91 I HA 0.643 5.054 4.170 0.074 -0.197 0.292 91 I C -0.836 175.327 176.117 0.078 0.000 1.066 91 I CA -1.730 59.618 61.300 0.081 0.000 1.053 91 I CB 4.275 42.302 38.000 0.045 0.000 1.241 91 I HN 0.316 8.622 8.210 0.161 0.000 0.421 92 I N 5.554 126.159 120.570 0.058 0.000 2.428 92 I HA 0.724 5.087 4.170 0.044 -0.166 0.296 92 I C -0.541 175.598 176.117 0.036 0.000 0.985 92 I CA -0.804 60.523 61.300 0.044 0.000 1.260 92 I CB 2.008 40.033 38.000 0.040 0.000 1.389 92 I HN 0.128 8.370 8.210 0.054 0.000 0.484 93 T N 3.896 118.468 114.554 0.030 0.000 2.637 93 T HA 0.297 4.661 4.350 0.023 0.000 0.303 93 T C -2.138 172.576 174.700 0.023 0.000 1.288 93 T CA -2.187 59.927 62.100 0.023 0.000 1.040 93 T CB 1.292 70.170 68.868 0.018 0.000 1.644 93 T HN 0.295 8.551 8.240 0.028 0.000 0.480 94 N N 0.729 119.442 118.700 0.022 0.000 2.438 94 N HA 0.294 5.206 4.740 0.036 -0.150 0.282 94 N C 0.279 175.788 175.510 -0.002 0.000 1.037 94 N CA -0.458 52.610 53.050 0.031 0.000 0.942 94 N CB 1.728 40.251 38.487 0.060 0.000 1.136 94 N HN 0.350 8.740 8.380 0.017 0.000 0.481 95 K N 5.992 126.353 120.400 -0.064 0.000 2.103 95 K HA -0.333 3.929 4.320 -0.097 0.000 0.207 95 K C 1.294 177.788 176.600 -0.176 0.000 1.048 95 K CA 3.005 59.198 56.287 -0.156 0.000 0.930 95 K CB 0.141 32.479 32.500 -0.269 0.000 0.716 95 K HN 0.146 8.254 8.250 -0.062 0.105 0.444 96 H N -2.362 116.717 119.070 0.014 0.000 2.470 96 H HA -0.148 4.414 4.556 0.011 0.000 0.289 96 H C 1.857 177.189 175.328 0.006 0.000 1.033 96 H CA 2.786 58.840 56.048 0.010 0.000 1.331 96 H CB 0.113 29.880 29.762 0.009 0.000 1.414 96 H HN -0.709 7.675 8.280 -0.070 -0.146 0.545 97 V N -2.132 117.841 119.914 0.098 0.000 2.427 97 V HA -0.327 3.824 4.120 0.052 0.000 0.248 97 V C 0.683 176.799 176.094 0.037 0.000 1.051 97 V CA 2.990 65.321 62.300 0.050 0.000 1.048 97 V CB 0.354 32.189 31.823 0.019 0.000 0.666 97 V HN -0.732 7.411 8.190 0.086 0.099 0.456 98 I N -10.884 109.702 120.570 0.027 0.000 3.941 98 I HA 0.028 4.217 4.170 0.032 0.000 0.321 98 I C -0.785 175.345 176.117 0.022 0.000 1.284 98 I CA -1.459 59.855 61.300 0.024 0.000 1.226 98 I CB 0.323 38.333 38.000 0.017 0.000 1.045 98 I HN -0.930 7.291 8.210 0.018 0.000 0.420 99 N N 2.318 121.030 118.700 0.019 0.000 2.353 99 N HA -0.208 4.535 4.740 0.006 0.000 0.248 99 N C -0.607 174.920 175.510 0.029 0.000 1.240 99 N CA 1.600 54.661 53.050 0.018 0.000 0.862 99 N CB 0.179 38.682 38.487 0.028 0.000 1.086 99 N HN -0.685 7.708 8.380 0.021 0.000 0.453 100 D N -1.722 118.692 120.400 0.023 0.000 2.689 100 D HA -0.374 4.278 4.640 0.021 0.000 0.237 100 D C -1.969 174.347 176.300 0.028 0.000 1.148 100 D CA 1.127 55.142 54.000 0.024 0.000 0.656 100 D CB -0.466 40.351 40.800 0.027 0.000 1.050 100 D HN 0.316 8.696 8.370 0.017 0.000 0.426 101 A N -3.568 119.269 122.820 0.028 0.000 2.312 101 A HA 0.076 4.525 4.320 0.035 -0.108 0.326 101 A C -0.920 176.681 177.584 0.029 0.000 1.172 101 A CA -1.113 50.944 52.037 0.033 0.000 0.821 101 A CB 1.835 20.858 19.000 0.038 0.000 1.166 101 A HN -0.605 7.560 8.150 0.025 0.000 0.493 102 D N 2.189 122.607 120.400 0.030 0.000 2.201 102 D HA 0.009 4.663 4.640 0.023 0.000 0.209 102 D C 0.147 176.464 176.300 0.028 0.000 0.961 102 D CA 1.826 55.842 54.000 0.026 0.000 0.861 102 D CB 1.157 41.971 40.800 0.023 0.000 0.997 102 D HN 0.050 8.440 8.370 0.033 0.000 0.486 103 Q N -0.978 118.843 119.800 0.035 0.000 2.295 103 Q HA 0.215 4.577 4.340 0.036 0.000 0.259 103 Q C -2.063 173.970 176.000 0.055 0.000 0.966 103 Q CA -0.499 55.327 55.803 0.039 0.000 0.763 103 Q CB 2.367 31.125 28.738 0.032 0.000 1.283 103 Q HN -0.830 7.463 8.270 0.038 0.000 0.445 104 I N 7.557 128.161 120.570 0.058 0.000 2.325 104 I HA 0.307 4.682 4.170 0.086 -0.153 0.291 104 I C -1.030 175.143 176.117 0.095 0.000 1.019 104 I CA -0.098 61.247 61.300 0.076 0.000 1.302 104 I CB 0.664 38.701 38.000 0.061 0.000 1.401 104 I HN 0.610 8.851 8.210 0.051 0.000 0.485 105 I N 7.360 128.010 120.570 0.135 0.000 2.493 105 I HA 0.523 4.903 4.170 0.130 -0.132 0.298 105 I C -1.441 174.805 176.117 0.215 0.000 0.998 105 I CA -1.418 59.976 61.300 0.157 0.000 1.137 105 I CB 3.701 41.777 38.000 0.127 0.000 1.310 105 I HN 0.402 8.708 8.210 0.160 0.000 0.445 106 V N 5.535 125.571 119.914 0.203 0.000 2.540 106 V HA 0.595 5.001 4.120 0.197 -0.168 0.302 106 V C -2.287 173.940 176.094 0.222 0.000 1.035 106 V CA -2.038 60.387 62.300 0.209 0.000 0.873 106 V CB 4.026 35.960 31.823 0.185 0.000 0.992 106 V HN 0.346 8.652 8.190 0.193 0.000 0.428 107 A N 7.122 130.072 122.820 0.216 0.000 2.310 107 A HA 0.701 5.225 4.320 0.115 -0.136 0.304 107 A C -1.582 176.086 177.584 0.139 0.000 1.231 107 A CA -2.004 50.136 52.037 0.170 0.000 0.799 107 A CB 2.307 21.449 19.000 0.236 0.000 1.162 107 A HN 0.609 8.884 8.150 0.208 0.000 0.486 108 L N 3.519 124.817 121.223 0.125 0.000 2.466 108 L HA 0.039 4.447 4.340 0.112 0.000 0.257 108 L C 1.558 178.472 176.870 0.074 0.000 1.189 108 L CA 0.020 54.928 54.840 0.114 0.000 0.813 108 L CB 1.162 43.314 42.059 0.155 0.000 1.118 108 L HN -0.038 8.262 8.230 0.115 0.000 0.471 109 Q N 0.896 120.734 119.800 0.064 0.000 2.369 109 Q HA -0.229 4.141 4.340 0.049 0.000 0.206 109 Q C 0.387 176.410 176.000 0.037 0.000 0.963 109 Q CA 2.146 57.978 55.803 0.048 0.000 0.894 109 Q CB -0.421 28.343 28.738 0.043 0.000 0.965 109 Q HN 0.876 9.186 8.270 0.066 0.000 0.475 110 D N -5.669 114.755 120.400 0.040 0.000 2.349 110 D HA -0.058 4.597 4.640 0.025 0.000 0.224 110 D C 0.630 176.936 176.300 0.010 0.000 1.029 110 D CA -0.418 53.599 54.000 0.029 0.000 0.879 110 D CB -0.752 40.072 40.800 0.039 0.000 0.906 110 D HN -0.570 7.794 8.370 0.052 0.038 0.528 111 G N -0.896 107.905 108.800 0.002 0.000 2.259 111 G HA2 -0.430 3.519 3.960 -0.019 0.000 0.217 111 G HA3 -0.430 3.514 3.960 -0.027 0.000 0.217 111 G C -0.031 174.824 174.900 -0.075 0.000 1.001 111 G CA -0.381 44.703 45.100 -0.026 0.000 0.627 111 G HN -0.644 7.586 8.290 0.013 0.068 0.501 112 R N 1.775 122.216 120.500 -0.100 0.000 2.623 112 R HA -0.078 4.081 4.340 -0.302 0.000 0.271 112 R C -1.006 175.082 176.300 -0.353 0.000 1.043 112 R CA 1.061 56.993 56.100 -0.280 0.000 1.083 112 R CB 0.952 31.076 30.300 -0.294 0.000 0.974 112 R HN -0.310 8.175 8.270 -0.051 -0.245 0.436 113 V N 2.256 121.851 119.914 -0.531 0.000 2.531 113 V HA 0.602 4.761 4.120 -0.210 -0.164 0.301 113 V C -0.333 175.439 176.094 -0.538 0.000 1.034 113 V CA -1.057 61.025 62.300 -0.363 0.000 0.865 113 V CB 2.171 33.884 31.823 -0.183 0.000 0.995 113 V HN 0.196 8.036 8.190 -0.584 0.000 0.424 114 F N 6.723 126.686 119.950 0.021 0.000 2.579 114 F HA 0.389 4.919 4.527 0.005 0.000 0.324 114 F C -1.311 174.499 175.800 0.017 0.000 1.058 114 F CA -1.675 56.332 58.000 0.012 0.000 0.944 114 F CB 4.203 43.206 39.000 0.005 0.000 1.245 114 F HN 0.648 9.011 8.300 0.105 0.000 0.477 115 E N 1.181 121.512 120.200 0.217 0.000 2.146 115 E HA 0.308 4.842 4.350 0.113 -0.117 0.282 115 E C -1.090 175.572 176.600 0.104 0.000 0.989 115 E CA -1.193 55.282 56.400 0.125 0.000 0.799 115 E CB 1.512 31.260 29.700 0.080 0.000 1.088 115 E HN 0.299 8.800 8.360 0.235 0.000 0.397 116 A N 7.114 129.985 122.820 0.085 0.000 2.306 116 A HA 0.474 4.958 4.320 0.025 -0.149 0.314 116 A C -1.630 175.973 177.584 0.031 0.000 1.164 116 A CA -1.176 50.889 52.037 0.046 0.000 0.822 116 A CB 2.010 21.041 19.000 0.052 0.000 1.130 116 A HN 0.168 8.373 8.150 0.091 0.000 0.496 117 L N 0.354 121.583 121.223 0.010 0.000 2.343 117 L HA 0.300 4.652 4.340 0.019 0.000 0.275 117 L C -0.566 176.316 176.870 0.020 0.000 1.056 117 L CA -1.776 53.072 54.840 0.013 0.000 0.804 117 L CB 1.544 43.604 42.059 0.002 0.000 1.203 117 L HN -0.112 8.113 8.230 -0.008 0.000 0.440 118 L N 3.082 124.320 121.223 0.025 0.000 2.278 118 L HA 0.106 4.466 4.340 0.034 0.000 0.287 118 L C -0.106 176.786 176.870 0.037 0.000 1.072 118 L CA 0.057 54.915 54.840 0.030 0.000 0.819 118 L CB 0.184 42.257 42.059 0.023 0.000 1.176 118 L HN 0.137 8.380 8.230 0.023 0.000 0.435 119 V N 6.648 126.595 119.914 0.056 0.000 2.535 119 V HA 0.017 4.180 4.120 0.071 0.000 0.246 119 V C -0.606 175.513 176.094 0.042 0.000 1.045 119 V CA 1.490 63.833 62.300 0.073 0.000 1.058 119 V CB 0.652 32.559 31.823 0.141 0.000 0.689 119 V HN 0.403 8.630 8.190 0.062 0.000 0.461 120 G N -4.876 103.941 108.800 0.027 0.000 2.368 120 G HA2 -0.033 3.930 3.960 0.005 0.000 0.303 120 G HA3 -0.033 3.930 3.960 0.004 0.000 0.303 120 G C -3.392 171.506 174.900 -0.003 0.000 1.590 120 G CA -0.434 44.670 45.100 0.007 0.000 0.938 120 G HN -0.914 7.394 8.290 0.031 0.000 0.675 121 S N -0.500 115.191 115.700 -0.016 0.000 2.600 121 S HA 0.633 5.196 4.470 -0.027 -0.110 0.300 121 S C -1.727 172.851 174.600 -0.036 0.000 1.087 121 S CA -1.698 56.484 58.200 -0.030 0.000 0.965 121 S CB 3.333 66.506 63.200 -0.045 0.000 1.089 121 S HN -0.018 8.282 8.310 -0.017 0.000 0.496 122 D N 0.818 121.191 120.400 -0.043 0.000 2.344 122 D HA 0.382 5.000 4.640 -0.038 0.000 0.239 122 D C 0.554 176.825 176.300 -0.048 0.000 1.064 122 D CA -1.748 52.226 54.000 -0.042 0.000 0.829 122 D CB 2.278 43.053 40.800 -0.041 0.000 1.129 122 D HN -0.300 8.042 8.370 -0.046 0.000 0.506 123 S N 6.858 122.534 115.700 -0.040 0.000 2.368 123 S HA -0.301 4.141 4.470 -0.048 0.000 0.225 123 S C 1.095 175.682 174.600 -0.021 0.000 1.030 123 S CA 2.643 60.822 58.200 -0.035 0.000 0.999 123 S CB -0.140 63.047 63.200 -0.022 0.000 0.844 123 S HN 0.453 8.742 8.310 -0.035 0.000 0.459 124 L N 0.393 121.602 121.223 -0.022 0.000 2.109 124 L HA -0.172 4.164 4.340 -0.006 0.000 0.207 124 L C 1.073 177.934 176.870 -0.015 0.000 1.086 124 L CA 2.415 57.245 54.840 -0.018 0.000 0.760 124 L CB 0.540 42.579 42.059 -0.032 0.000 0.910 124 L HN -0.344 8.102 8.230 -0.028 -0.233 0.437 125 T N -8.606 105.932 114.554 -0.027 0.000 3.054 125 T HA -0.119 4.208 4.350 -0.038 0.000 0.255 125 T C 0.198 174.910 174.700 0.020 0.000 1.035 125 T CA -0.571 61.513 62.100 -0.027 0.000 0.941 125 T CB 0.754 69.587 68.868 -0.060 0.000 1.026 125 T HN -0.796 7.424 8.240 -0.033 0.000 0.533 126 D N -0.561 119.843 120.400 0.006 0.000 3.079 126 D HA -0.335 4.252 4.640 -0.088 0.000 0.214 126 D C -2.062 174.235 176.300 -0.005 0.000 1.145 126 D CA 1.655 55.655 54.000 -0.001 0.000 0.958 126 D CB -1.149 39.727 40.800 0.126 0.000 1.117 126 D HN -0.229 8.131 8.370 -0.017 0.000 0.416 127 L N -1.897 119.319 121.223 -0.012 0.000 2.325 127 L HA 0.532 5.045 4.340 0.010 -0.167 0.279 127 L C -1.609 175.249 176.870 -0.020 0.000 1.054 127 L CA -0.932 53.905 54.840 -0.005 0.000 0.804 127 L CB 2.262 44.319 42.059 -0.003 0.000 1.200 127 L HN -0.857 7.311 8.230 -0.019 0.051 0.436 128 A N 1.676 124.491 122.820 -0.008 0.000 2.413 128 A HA 0.725 5.156 4.320 -0.012 -0.118 0.307 128 A C -2.173 175.420 177.584 0.016 0.000 1.087 128 A CA -1.950 50.084 52.037 -0.005 0.000 0.750 128 A CB 3.888 22.881 19.000 -0.011 0.000 1.296 128 A HN 0.388 8.539 8.150 0.002 0.000 0.423 129 V N 0.753 120.684 119.914 0.028 0.000 2.495 129 V HA 0.846 5.210 4.120 0.064 -0.206 0.298 129 V C -1.057 175.087 176.094 0.083 0.000 1.031 129 V CA -1.732 60.605 62.300 0.062 0.000 0.871 129 V CB 2.207 34.068 31.823 0.063 0.000 0.988 129 V HN -0.069 8.134 8.190 0.022 0.000 0.432 130 L N 5.588 126.866 121.223 0.090 0.000 2.304 130 L HA 0.864 5.385 4.340 0.057 -0.146 0.268 130 L C -1.247 175.653 176.870 0.050 0.000 1.010 130 L CA -2.008 52.870 54.840 0.063 0.000 0.813 130 L CB 3.075 45.158 42.059 0.040 0.000 1.315 130 L HN 0.706 8.991 8.230 0.092 0.000 0.445 131 K N 0.141 120.520 120.400 -0.034 0.000 2.535 131 K HA 0.592 4.923 4.320 -0.279 -0.178 0.250 131 K C -1.556 174.941 176.600 -0.171 0.000 0.948 131 K CA -1.043 55.130 56.287 -0.190 0.000 0.796 131 K CB 2.546 34.901 32.500 -0.242 0.000 1.216 131 K HN -0.205 8.033 8.250 -0.021 0.000 0.432 132 I N -0.003 120.423 120.570 -0.240 0.000 3.264 132 I HA 0.474 4.546 4.170 -0.163 0.000 0.309 132 I C -2.009 173.923 176.117 -0.308 0.000 1.099 132 I CA -3.127 58.025 61.300 -0.248 0.000 0.989 132 I CB 3.067 40.865 38.000 -0.336 0.000 1.250 132 I HN -0.247 7.787 8.210 -0.292 0.000 0.478 133 N N 0.445 118.946 118.700 -0.331 0.000 2.405 133 N HA -0.119 4.503 4.740 -0.197 0.000 0.260 133 N C -0.057 175.257 175.510 -0.327 0.000 1.152 133 N CA 0.307 53.202 53.050 -0.258 0.000 0.948 133 N CB -0.372 38.039 38.487 -0.127 0.000 1.111 133 N HN 0.120 8.292 8.380 -0.347 0.000 0.485 134 A N 6.012 128.694 122.820 -0.230 0.000 2.119 134 A HA -0.070 4.112 4.320 -0.231 0.000 0.216 134 A C -0.024 177.488 177.584 -0.120 0.000 1.152 134 A CA 0.754 52.677 52.037 -0.190 0.000 0.708 134 A CB 0.083 18.996 19.000 -0.145 0.000 0.805 134 A HN 0.375 8.407 8.150 -0.197 0.000 0.460 135 T N -0.674 113.826 114.554 -0.089 0.000 2.871 135 T HA -0.296 4.035 4.350 -0.031 0.000 0.296 135 T C 0.368 175.061 174.700 -0.011 0.000 0.998 135 T CA 1.688 63.766 62.100 -0.037 0.000 1.162 135 T CB 0.233 69.091 68.868 -0.015 0.000 0.947 135 T HN -0.392 7.754 8.240 -0.096 0.036 0.536 136 G N 3.322 112.124 108.800 0.003 0.000 2.253 136 G HA2 -0.163 3.814 3.960 0.029 0.000 0.209 136 G HA3 -0.163 3.828 3.960 0.052 0.000 0.209 136 G C -0.989 173.924 174.900 0.023 0.000 0.997 136 G CA -0.550 44.567 45.100 0.028 0.000 0.640 136 G HN 0.279 8.567 8.290 -0.002 0.000 0.496 137 G N 0.670 109.470 108.800 -0.001 0.000 3.019 137 G HA2 -0.362 3.740 3.960 -0.012 0.000 0.686 137 G HA3 -0.362 3.603 3.960 0.009 0.000 0.686 137 G C -2.356 172.547 174.900 0.004 0.000 1.056 137 G CA -0.359 44.741 45.100 -0.001 0.000 0.774 137 G HN -0.538 7.741 8.290 -0.018 0.000 0.583 138 L N 2.738 123.954 121.223 -0.011 0.000 2.323 138 L HA 0.396 4.748 4.340 0.020 0.000 0.265 138 L C -2.059 174.817 176.870 0.010 0.000 1.012 138 L CA -3.312 51.526 54.840 -0.003 0.000 0.820 138 L CB 1.927 43.958 42.059 -0.047 0.000 1.334 138 L HN -0.475 7.989 8.230 -0.017 -0.244 0.427 139 P HA 0.164 4.595 4.420 0.018 0.000 0.280 139 P C -1.717 175.592 177.300 0.015 0.000 1.244 139 P CA -0.602 62.511 63.100 0.021 0.000 0.784 139 P CB 0.308 32.027 31.700 0.031 0.000 0.913 140 T N -1.332 113.228 114.554 0.010 0.000 2.885 140 T HA 0.122 4.614 4.350 0.011 -0.135 0.285 140 T C 0.050 174.752 174.700 0.003 0.000 1.019 140 T CA -2.591 59.514 62.100 0.008 0.000 1.010 140 T CB 2.912 71.785 68.868 0.008 0.000 1.022 140 T HN -0.178 8.067 8.240 0.009 0.000 0.466 141 I N 2.957 123.528 120.570 0.001 0.000 2.618 141 I HA 0.079 4.242 4.170 -0.012 0.000 0.284 141 I C -2.069 174.031 176.117 -0.029 0.000 1.146 141 I CA -2.464 58.829 61.300 -0.012 0.000 1.425 141 I CB 1.151 39.144 38.000 -0.011 0.000 1.383 141 I HN -0.141 8.072 8.210 0.006 0.000 0.562 142 P HA 0.034 4.427 4.420 -0.045 0.000 0.267 142 P C -1.815 175.423 177.300 -0.103 0.000 1.209 142 P CA -0.088 62.978 63.100 -0.057 0.000 0.763 142 P CB 0.297 31.964 31.700 -0.054 0.000 0.816 143 I N 2.813 123.321 120.570 -0.104 0.000 2.436 143 I HA 0.152 4.157 4.170 -0.275 0.000 0.289 143 I C -1.295 174.729 176.117 -0.154 0.000 1.010 143 I CA -0.634 60.562 61.300 -0.174 0.000 1.098 143 I CB 2.981 40.920 38.000 -0.101 0.000 1.266 143 I HN -0.033 8.134 8.210 -0.073 0.000 0.434 144 N N 7.532 126.082 118.700 -0.250 0.000 2.621 144 N HA 0.118 4.814 4.740 -0.073 0.000 0.237 144 N C -0.018 175.453 175.510 -0.066 0.000 0.997 144 N CA -1.331 51.636 53.050 -0.138 0.000 0.918 144 N CB 0.275 38.685 38.487 -0.127 0.000 1.122 144 N HN 0.304 8.444 8.380 -0.400 0.000 0.510 145 A N 5.229 128.091 122.820 0.070 0.000 2.172 145 A HA -0.146 4.476 4.320 0.503 0.000 0.216 145 A C 0.547 178.261 177.584 0.216 0.000 1.154 145 A CA 2.109 54.295 52.037 0.249 0.000 0.701 145 A CB 0.113 19.209 19.000 0.160 0.000 0.789 145 A HN 0.678 8.855 8.150 0.044 0.000 0.465 146 R N -2.563 118.012 120.500 0.125 0.000 2.432 146 R HA 0.214 4.608 4.340 0.090 0.000 0.260 146 R C -0.654 175.698 176.300 0.087 0.000 0.935 146 R CA -0.638 55.516 56.100 0.090 0.000 1.080 146 R CB 0.369 30.700 30.300 0.050 0.000 1.155 146 R HN -0.458 8.040 8.270 0.085 -0.178 0.531 147 R N 0.989 121.557 120.500 0.114 0.000 2.308 147 R HA -0.004 4.359 4.340 0.038 0.000 0.305 147 R C -0.902 175.464 176.300 0.109 0.000 1.053 147 R CA -0.306 55.836 56.100 0.070 0.000 0.957 147 R CB 0.423 30.721 30.300 -0.005 0.000 1.022 147 R HN -0.559 7.792 8.270 0.141 0.003 0.461 148 V N 7.843 127.741 119.914 -0.027 0.000 2.350 148 V HA 0.201 4.296 4.120 -0.042 0.000 0.276 148 V C -1.693 174.196 176.094 -0.343 0.000 1.028 148 V CA -3.085 59.129 62.300 -0.144 0.000 0.860 148 V CB 1.044 32.747 31.823 -0.200 0.000 0.990 148 V HN 0.111 8.269 8.190 -0.053 0.000 0.453 149 P HA -0.058 4.294 4.420 -0.112 0.000 0.268 149 P C -1.628 175.506 177.300 -0.277 0.000 1.204 149 P CA -0.258 62.755 63.100 -0.145 0.000 0.768 149 P CB 0.512 32.216 31.700 0.007 0.000 0.842 150 H N 2.207 121.301 119.070 0.040 0.000 2.569 150 H HA 0.250 4.822 4.556 0.028 0.000 0.357 150 H C -0.086 175.255 175.328 0.021 0.000 1.153 150 H CA -1.627 54.438 56.048 0.028 0.000 1.193 150 H CB 3.468 33.243 29.762 0.022 0.000 1.602 150 H HN -0.121 8.407 8.280 0.003 -0.246 0.523 151 I N 1.850 122.514 120.570 0.156 0.000 2.662 151 I HA -0.569 3.767 4.170 0.067 -0.126 0.285 151 I C 1.236 177.393 176.117 0.068 0.000 1.161 151 I CA 2.178 63.528 61.300 0.083 0.000 1.415 151 I CB -0.667 37.369 38.000 0.060 0.000 1.385 151 I HN 0.633 8.945 8.210 0.171 0.000 0.552 152 G N 7.195 116.022 108.800 0.044 0.000 2.238 152 G HA2 -0.358 3.612 3.960 0.016 0.000 0.217 152 G HA3 -0.358 3.620 3.960 0.030 0.000 0.217 152 G C -0.424 174.493 174.900 0.030 0.000 0.996 152 G CA -0.612 44.506 45.100 0.029 0.000 0.632 152 G HN 0.361 8.673 8.290 0.035 0.000 0.503 153 D N 2.666 123.095 120.400 0.048 0.000 2.493 153 D HA -0.110 4.553 4.640 0.038 0.000 0.240 153 D C -0.120 176.170 176.300 -0.017 0.000 1.142 153 D CA 1.637 55.655 54.000 0.031 0.000 0.872 153 D CB 0.510 41.335 40.800 0.042 0.000 1.173 153 D HN -0.425 7.930 8.370 0.070 0.057 0.467 154 V N 3.184 123.069 119.914 -0.047 0.000 2.479 154 V HA 0.002 4.217 4.120 -0.119 -0.167 0.281 154 V C -0.097 175.896 176.094 -0.169 0.000 1.031 154 V CA 0.691 62.911 62.300 -0.135 0.000 1.038 154 V CB 0.076 31.770 31.823 -0.216 0.000 0.981 154 V HN 0.145 8.317 8.190 -0.029 0.000 0.478 155 V N 1.570 121.389 119.914 -0.159 0.000 2.864 155 V HA 0.856 5.042 4.120 -0.134 -0.146 0.314 155 V C -1.517 174.483 176.094 -0.156 0.000 1.073 155 V CA -3.365 58.855 62.300 -0.133 0.000 0.956 155 V CB 3.542 35.324 31.823 -0.069 0.000 1.023 155 V HN -0.082 7.914 8.190 -0.143 0.107 0.435 156 L N 0.608 121.758 121.223 -0.122 0.000 2.356 156 L HA 0.870 5.354 4.340 -0.098 -0.203 0.277 156 L C -1.024 175.816 176.870 -0.049 0.000 0.996 156 L CA -2.013 52.771 54.840 -0.092 0.000 0.822 156 L CB 2.813 44.823 42.059 -0.081 0.000 1.256 156 L HN 0.569 8.737 8.230 -0.104 0.000 0.413 157 A N 3.413 126.212 122.820 -0.036 0.000 2.310 157 A HA 0.864 5.348 4.320 -0.017 -0.175 0.299 157 A C -1.272 176.304 177.584 -0.012 0.000 1.147 157 A CA -1.837 50.188 52.037 -0.021 0.000 0.818 157 A CB 2.217 21.205 19.000 -0.021 0.000 1.096 157 A HN 0.612 8.740 8.150 -0.038 0.000 0.495 158 I N 1.516 122.081 120.570 -0.007 0.000 2.468 158 I HA 0.679 5.033 4.170 -0.000 -0.184 0.285 158 I C -0.879 175.234 176.117 -0.006 0.000 1.039 158 I CA -1.167 60.131 61.300 -0.003 0.000 1.074 158 I CB 2.352 40.353 38.000 0.001 0.000 1.228 158 I HN 0.126 8.333 8.210 -0.006 0.000 0.436 159 G N 5.119 113.912 108.800 -0.010 0.000 2.570 159 G HA2 0.336 4.281 3.960 -0.024 0.000 0.310 159 G HA3 0.336 4.276 3.960 -0.032 0.000 0.310 159 G C -3.317 171.567 174.900 -0.027 0.000 1.266 159 G CA 0.508 45.593 45.100 -0.024 0.000 0.825 159 G HN -0.299 7.987 8.290 -0.006 0.000 0.483 160 N N 0.365 119.033 118.700 -0.053 0.000 2.844 160 N HA 0.668 5.398 4.740 -0.017 0.000 0.268 160 N C -2.225 173.245 175.510 -0.066 0.000 1.574 160 N CA -3.557 49.465 53.050 -0.047 0.000 0.838 160 N CB 1.763 40.206 38.487 -0.073 0.000 1.177 160 N HN -0.212 8.126 8.380 -0.070 0.000 0.495 161 P HA 0.021 4.434 4.420 -0.287 -0.165 0.267 161 P C -0.290 176.998 177.300 -0.021 0.000 1.209 161 P CA 0.348 63.362 63.100 -0.145 0.000 0.763 161 P CB -0.284 31.391 31.700 -0.042 0.000 0.816 162 Y N 0.027 120.330 120.300 0.005 0.000 4.236 162 Y HA -0.560 3.998 4.550 0.013 0.000 0.220 162 Y C -0.944 174.971 175.900 0.025 0.000 1.115 162 Y CA 0.831 58.939 58.100 0.013 0.000 1.811 162 Y CB -2.692 35.776 38.460 0.012 0.000 1.581 162 Y HN 0.138 8.130 8.280 -0.481 0.000 0.643 163 N N -2.728 116.038 118.700 0.109 0.000 2.725 163 N HA -0.340 4.592 4.740 0.088 -0.139 0.251 163 N C 0.108 175.691 175.510 0.120 0.000 1.031 163 N CA 1.032 54.150 53.050 0.113 0.000 0.720 163 N CB -0.837 37.737 38.487 0.146 0.000 0.930 163 N HN -0.427 7.943 8.380 0.043 0.036 0.543 164 L N -3.316 117.976 121.223 0.114 0.000 2.558 164 L HA -0.038 4.356 4.340 0.090 0.000 0.225 164 L C 0.467 177.382 176.870 0.075 0.000 1.128 164 L CA 0.199 55.096 54.840 0.095 0.000 0.868 164 L CB 0.003 42.123 42.059 0.103 0.000 1.006 164 L HN -0.525 7.773 8.230 0.113 0.000 0.454 165 G N -2.318 106.527 108.800 0.075 0.000 2.662 165 G HA2 -0.224 3.781 3.960 0.075 0.000 0.686 165 G HA3 -0.224 3.772 3.960 0.061 0.000 0.686 165 G C -1.946 172.983 174.900 0.048 0.000 1.271 165 G CA -0.954 44.185 45.100 0.065 0.000 0.816 165 G HN -0.539 7.963 8.290 0.080 -0.164 0.608 166 Q N 1.923 121.748 119.800 0.041 0.000 2.308 166 Q HA -0.174 4.385 4.340 0.020 -0.206 0.313 166 Q C -0.198 175.819 176.000 0.029 0.000 1.075 166 Q CA 1.484 57.304 55.803 0.029 0.000 0.995 166 Q CB 0.440 29.196 28.738 0.029 0.000 1.107 166 Q HN 0.350 8.648 8.270 0.046 0.000 0.380 167 T N 7.990 122.558 114.554 0.023 0.000 2.876 167 T HA 0.239 4.607 4.350 0.031 0.000 0.289 167 T C -1.956 172.756 174.700 0.020 0.000 1.014 167 T CA -0.574 61.542 62.100 0.027 0.000 0.986 167 T CB 2.606 71.494 68.868 0.033 0.000 1.021 167 T HN 0.441 8.690 8.240 0.016 0.000 0.458 168 I N 4.173 124.758 120.570 0.024 0.000 2.378 168 I HA 0.702 5.069 4.170 0.013 -0.189 0.291 168 I C 0.063 176.192 176.117 0.021 0.000 0.992 168 I CA -2.119 59.194 61.300 0.021 0.000 1.154 168 I CB 0.650 38.669 38.000 0.031 0.000 1.315 168 I HN 0.319 8.547 8.210 0.029 0.000 0.448 169 T N 4.618 119.177 114.554 0.007 0.000 2.924 169 T HA 0.368 4.727 4.350 0.015 0.000 0.291 169 T C -1.926 172.763 174.700 -0.019 0.000 1.045 169 T CA -2.046 60.056 62.100 0.003 0.000 1.015 169 T CB 2.573 71.441 68.868 0.000 0.000 1.103 169 T HN 0.135 8.375 8.240 -0.001 0.000 0.496 170 Q N 4.485 124.273 119.800 -0.020 0.000 2.353 170 Q HA 0.739 5.185 4.340 -0.100 -0.166 0.268 170 Q C -1.146 174.819 176.000 -0.058 0.000 1.045 170 Q CA -1.122 54.644 55.803 -0.062 0.000 0.811 170 Q CB 3.519 32.233 28.738 -0.039 0.000 1.305 170 Q HN 0.052 8.320 8.270 -0.005 0.000 0.447 171 G N 4.114 112.861 108.800 -0.087 0.000 2.793 171 G HA2 0.718 4.647 3.960 -0.050 0.000 0.248 171 G HA3 0.718 4.816 3.960 -0.060 -0.175 0.248 171 G C -2.597 172.257 174.900 -0.077 0.000 1.198 171 G CA 0.197 45.257 45.100 -0.066 0.000 0.865 171 G HN 0.482 8.702 8.290 -0.117 0.000 0.534 172 I N -5.567 114.969 120.570 -0.057 0.000 2.994 172 I HA 0.838 5.149 4.170 -0.054 -0.173 0.306 172 I C -0.704 175.394 176.117 -0.033 0.000 1.195 172 I CA -2.226 59.047 61.300 -0.045 0.000 1.001 172 I CB 4.452 42.436 38.000 -0.027 0.000 1.244 172 I HN 0.132 8.565 8.210 -0.053 -0.255 0.437 173 I N 2.620 123.182 120.570 -0.013 0.000 2.578 173 I HA -0.126 4.180 4.170 -0.001 -0.136 0.286 173 I C 0.505 176.624 176.117 0.003 0.000 1.126 173 I CA 1.161 62.463 61.300 0.004 0.000 1.380 173 I CB -1.053 36.964 38.000 0.028 0.000 1.408 173 I HN 0.058 8.262 8.210 -0.009 0.000 0.532 174 S N 8.465 124.158 115.700 -0.012 0.000 2.470 174 S HA -0.072 4.388 4.470 -0.017 0.000 0.225 174 S C -0.735 173.869 174.600 0.006 0.000 1.006 174 S CA 0.918 59.106 58.200 -0.018 0.000 0.934 174 S CB 0.644 63.810 63.200 -0.057 0.000 0.778 174 S HN 0.441 8.627 8.310 -0.021 0.111 0.517 175 A N -2.291 120.548 122.820 0.031 0.000 2.567 175 A HA 0.306 4.654 4.320 0.047 0.000 0.291 175 A C -2.763 174.870 177.584 0.080 0.000 1.048 175 A CA 0.062 52.131 52.037 0.054 0.000 0.661 175 A CB 1.547 20.582 19.000 0.059 0.000 1.288 175 A HN -0.898 7.272 8.150 0.035 0.000 0.424 176 T N -3.209 111.392 114.554 0.078 0.000 2.888 176 T HA 0.360 4.770 4.350 0.100 0.000 0.288 176 T C 0.106 174.853 174.700 0.078 0.000 1.063 176 T CA -2.298 59.850 62.100 0.081 0.000 1.010 176 T CB 2.129 71.030 68.868 0.055 0.000 1.214 176 T HN -0.005 8.275 8.240 0.068 0.000 0.533 177 G N -1.058 107.780 108.800 0.064 0.000 2.395 177 G HA2 -0.366 3.607 3.960 0.022 0.000 0.300 177 G HA3 -0.366 3.611 3.960 0.028 0.000 0.300 177 G C -0.583 174.360 174.900 0.072 0.000 0.998 177 G CA 0.624 45.750 45.100 0.043 0.000 1.046 177 G HN 0.263 8.586 8.290 0.055 0.000 0.513 178 R N -0.504 120.078 120.500 0.137 0.000 2.234 178 R HA 0.135 4.540 4.340 0.108 0.000 0.324 178 R C -0.776 175.626 176.300 0.171 0.000 1.054 178 R CA -1.559 54.634 56.100 0.156 0.000 0.912 178 R CB 0.156 30.592 30.300 0.227 0.000 1.030 178 R HN -0.279 8.148 8.270 0.177 -0.051 0.455 179 I N 5.067 125.694 120.570 0.094 0.000 2.373 179 I HA 0.060 4.295 4.170 0.109 0.000 0.287 179 I C -0.275 175.887 176.117 0.075 0.000 1.124 179 I CA -1.717 59.634 61.300 0.085 0.000 1.273 179 I CB -2.560 35.459 38.000 0.030 0.000 1.578 179 I HN 0.428 8.677 8.210 0.065 0.000 0.572 189 F N -1.092 118.858 119.950 0.001 0.000 2.578 189 F HA 0.260 4.817 4.527 0.050 0.000 0.311 189 F C -0.726 175.135 175.800 0.101 0.000 1.094 189 F CA -1.214 56.816 58.000 0.050 0.000 0.923 189 F CB 3.828 42.840 39.000 0.019 0.000 1.230 189 F HN 0.131 8.628 8.300 0.148 -0.108 0.450 190 L N 1.539 122.977 121.223 0.358 0.000 2.350 190 L HA 0.272 4.866 4.340 0.196 -0.137 0.275 190 L C -1.164 175.882 176.870 0.293 0.000 1.099 190 L CA -0.706 54.281 54.840 0.245 0.000 0.808 190 L CB 1.209 43.367 42.059 0.164 0.000 1.149 190 L HN 0.461 8.912 8.230 0.368 0.000 0.442 191 Q N 2.396 122.302 119.800 0.176 0.000 2.266 191 Q HA 0.775 5.250 4.340 -0.068 -0.175 0.261 191 Q C -0.961 174.999 176.000 -0.066 0.000 0.985 191 Q CA -1.558 54.253 55.803 0.013 0.000 0.873 191 Q CB 3.636 32.385 28.738 0.018 0.000 1.306 191 Q HN 0.018 8.374 8.270 0.142 0.000 0.447 192 T N 3.479 117.931 114.554 -0.170 0.000 2.942 192 T HA 0.588 5.051 4.350 -0.085 -0.164 0.327 192 T C -1.823 172.789 174.700 -0.147 0.000 1.360 192 T CA -1.970 60.060 62.100 -0.116 0.000 1.055 192 T CB 1.390 70.216 68.868 -0.069 0.000 1.261 192 T HN 0.287 8.353 8.240 -0.291 0.000 0.485 193 D N 4.533 124.871 120.400 -0.104 0.000 2.388 193 D HA 0.188 4.804 4.640 -0.113 -0.044 0.221 193 D C -0.679 175.581 176.300 -0.067 0.000 1.133 193 D CA -1.883 52.061 54.000 -0.093 0.000 0.831 193 D CB -0.456 40.299 40.800 -0.074 0.000 0.962 193 D HN -0.055 8.265 8.370 -0.084 0.000 0.502 194 A N 0.876 123.656 122.820 -0.067 0.000 2.444 194 A HA -0.112 4.335 4.320 -0.044 -0.153 0.273 194 A C -0.523 177.033 177.584 -0.046 0.000 1.136 194 A CA 0.486 52.492 52.037 -0.052 0.000 0.799 194 A CB 0.133 19.102 19.000 -0.053 0.000 1.081 194 A HN -0.714 7.334 8.150 -0.072 0.059 0.509 195 S N 2.893 118.576 115.700 -0.029 0.000 2.626 195 S HA -0.161 4.294 4.470 -0.025 0.000 0.303 195 S C -0.746 173.840 174.600 -0.022 0.000 1.256 195 S CA 1.063 59.252 58.200 -0.019 0.000 1.069 195 S CB 0.032 63.233 63.200 0.003 0.000 0.807 195 S HN 0.289 8.586 8.310 -0.023 0.000 0.500 196 I N 5.903 126.454 120.570 -0.030 0.000 2.474 196 I HA 0.151 4.420 4.170 -0.039 -0.122 0.294 196 I C -1.051 175.041 176.117 -0.042 0.000 1.005 196 I CA -1.487 59.790 61.300 -0.039 0.000 1.113 196 I CB 1.726 39.698 38.000 -0.047 0.000 1.289 196 I HN 0.278 8.468 8.210 -0.033 0.000 0.436 197 N N 6.220 124.867 118.700 -0.087 0.000 2.509 197 N HA 0.476 5.153 4.740 -0.105 0.000 0.280 197 N C -3.148 172.194 175.510 -0.279 0.000 1.306 197 N CA -2.182 50.764 53.050 -0.173 0.000 0.782 197 N CB 2.338 40.691 38.487 -0.223 0.000 1.493 197 N HN 0.385 9.030 8.380 -0.097 -0.323 0.498 198 P HA -0.111 4.189 4.420 -0.200 0.000 0.260 198 P C -0.576 176.494 177.300 -0.384 0.000 1.185 198 P CA 1.382 64.286 63.100 -0.327 0.000 0.763 198 P CB -0.206 31.314 31.700 -0.299 0.000 0.776 199 G N 3.127 111.797 108.800 -0.217 0.000 2.380 199 G HA2 -0.358 3.513 3.960 -0.149 0.000 0.197 199 G HA3 -0.358 3.623 3.960 -0.210 -0.147 0.197 199 G C 0.934 175.757 174.900 -0.130 0.000 1.001 199 G CA 0.801 45.794 45.100 -0.179 0.000 0.668 199 G HN 0.495 8.688 8.290 -0.161 0.000 0.483 200 N N 0.871 119.500 118.700 -0.119 0.000 2.446 200 N HA -0.081 4.620 4.740 -0.065 0.000 0.179 200 N C 0.013 175.500 175.510 -0.039 0.000 1.054 200 N CA 1.435 54.442 53.050 -0.071 0.000 0.905 200 N CB 0.945 39.394 38.487 -0.063 0.000 0.973 200 N HN -0.093 8.202 8.380 -0.142 0.000 0.448 201 S N -1.355 114.324 115.700 -0.034 0.000 2.558 201 S HA -0.454 4.160 4.470 0.022 -0.131 0.293 201 S C 0.861 175.464 174.600 0.006 0.000 1.292 201 S CA 2.665 60.867 58.200 0.004 0.000 1.063 201 S CB 0.133 63.343 63.200 0.018 0.000 0.831 201 S HN -0.497 7.750 8.310 -0.051 0.033 0.499 202 G N 3.710 112.528 108.800 0.030 0.000 2.184 202 G HA2 -0.477 3.506 3.960 0.040 0.000 0.264 202 G HA3 -0.477 3.621 3.960 0.018 -0.127 0.264 202 G C -0.536 174.375 174.900 0.018 0.000 0.975 202 G CA 0.300 45.416 45.100 0.027 0.000 0.642 202 G HN 0.630 8.949 8.290 0.047 0.000 0.536 203 G N -0.603 108.204 108.800 0.012 0.000 2.532 203 G HA2 0.556 4.520 3.960 0.006 0.000 0.291 203 G HA3 0.556 4.649 3.960 -0.001 -0.133 0.291 203 G C -2.482 172.430 174.900 0.020 0.000 1.349 203 G CA -1.852 43.253 45.100 0.008 0.000 1.038 203 G HN -0.521 7.709 8.290 0.011 0.066 0.518 204 A N -2.214 120.614 122.820 0.014 0.000 2.312 204 A HA 0.571 4.907 4.320 0.026 0.000 0.326 204 A C -2.255 175.335 177.584 0.010 0.000 1.172 204 A CA -1.725 50.321 52.037 0.016 0.000 0.821 204 A CB 2.793 21.797 19.000 0.007 0.000 1.166 204 A HN -0.150 8.005 8.150 0.008 0.000 0.493 205 L N 4.292 125.526 121.223 0.017 0.000 2.294 205 L HA 0.769 5.297 4.340 -0.007 -0.192 0.283 205 L C -1.782 175.082 176.870 -0.010 0.000 1.015 205 L CA -1.100 53.743 54.840 0.006 0.000 0.831 205 L CB 2.738 44.812 42.059 0.026 0.000 1.217 205 L HN 0.010 8.258 8.230 0.030 0.000 0.420 206 V N 1.809 121.704 119.914 -0.033 0.000 2.864 206 V HA 1.001 5.232 4.120 -0.060 -0.146 0.314 206 V C -1.510 174.545 176.094 -0.065 0.000 1.073 206 V CA -3.757 58.512 62.300 -0.052 0.000 0.956 206 V CB 3.749 35.543 31.823 -0.049 0.000 1.023 206 V HN 0.423 8.592 8.190 -0.036 0.000 0.435 207 N N 1.785 120.444 118.700 -0.069 0.000 2.431 207 N HA 0.477 5.330 4.740 -0.089 -0.167 0.289 207 N C 1.987 177.460 175.510 -0.062 0.000 1.277 207 N CA -1.441 51.566 53.050 -0.071 0.000 0.972 207 N CB 0.755 39.211 38.487 -0.050 0.000 1.143 207 N HN -0.230 8.106 8.380 -0.074 0.000 0.578 208 S N -0.848 114.825 115.700 -0.046 0.000 2.507 208 S HA -0.171 4.310 4.470 0.019 0.000 0.235 208 S C 0.783 175.412 174.600 0.048 0.000 0.988 208 S CA 2.330 60.546 58.200 0.026 0.000 0.944 208 S CB -0.708 62.558 63.200 0.111 0.000 0.762 208 S HN 0.326 8.610 8.310 -0.043 0.000 0.526 209 L N -2.502 118.728 121.223 0.012 0.000 2.446 209 L HA 0.108 4.460 4.340 0.020 0.000 0.219 209 L C 0.616 177.481 176.870 -0.009 0.000 1.116 209 L CA 0.260 55.103 54.840 0.006 0.000 0.844 209 L CB 0.219 42.273 42.059 -0.009 0.000 0.970 209 L HN -0.706 7.696 8.230 -0.004 -0.175 0.457 210 G N -3.530 105.257 108.800 -0.021 0.000 2.157 210 G HA2 -0.440 3.552 3.960 -0.026 0.000 0.239 210 G HA3 -0.440 3.509 3.960 -0.018 0.000 0.239 210 G C -0.485 174.379 174.900 -0.060 0.000 0.982 210 G CA -0.281 44.801 45.100 -0.029 0.000 0.650 210 G HN -0.285 7.942 8.290 -0.026 0.047 0.527 211 E N -0.574 119.574 120.200 -0.087 0.000 2.366 211 E HA -0.085 4.359 4.350 -0.147 -0.182 0.266 211 E C -0.817 175.670 176.600 -0.188 0.000 1.051 211 E CA -0.613 55.696 56.400 -0.152 0.000 0.884 211 E CB 1.127 30.720 29.700 -0.180 0.000 1.006 211 E HN -0.702 7.781 8.360 -0.077 -0.169 0.417 212 L N 3.012 124.080 121.223 -0.258 0.000 2.360 212 L HA -0.135 4.131 4.340 -0.123 0.000 0.276 212 L C -0.712 175.976 176.870 -0.304 0.000 1.121 212 L CA 0.928 55.637 54.840 -0.218 0.000 0.845 212 L CB 0.423 42.385 42.059 -0.162 0.000 1.143 212 L HN -0.172 7.885 8.230 -0.287 0.000 0.452 213 M N 3.772 123.333 119.600 -0.065 0.000 2.615 213 M HA 0.174 4.752 4.480 0.165 0.000 0.262 213 M C -0.019 176.435 176.300 0.256 0.000 1.198 213 M CA -0.037 55.329 55.300 0.110 0.000 1.165 213 M CB 1.744 34.382 32.600 0.062 0.000 1.310 213 M HN 0.615 8.884 8.290 -0.035 0.000 0.494 214 G N -4.232 104.663 108.800 0.159 0.000 2.441 214 G HA2 0.250 4.438 3.960 0.198 0.000 0.294 214 G HA3 0.250 4.346 3.960 0.153 -0.044 0.294 214 G C -3.000 171.967 174.900 0.112 0.000 1.393 214 G CA 0.431 45.628 45.100 0.161 0.000 0.796 214 G HN -0.600 7.750 8.290 0.100 0.000 0.494 215 I N -0.997 119.640 120.570 0.112 0.000 2.339 215 I HA 0.580 4.960 4.170 0.076 -0.165 0.290 215 I C -0.663 175.522 176.117 0.114 0.000 0.994 215 I CA -3.736 57.620 61.300 0.093 0.000 1.191 215 I CB 0.266 38.315 38.000 0.081 0.000 1.343 215 I HN -0.005 8.276 8.210 0.118 0.000 0.458 216 N N 8.151 126.904 118.700 0.087 0.000 2.458 216 N HA 0.061 5.013 4.740 0.111 -0.146 0.258 216 N C 0.625 176.199 175.510 0.108 0.000 1.219 216 N CA 1.016 54.120 53.050 0.090 0.000 0.902 216 N CB 0.654 39.167 38.487 0.044 0.000 1.076 216 N HN -0.043 8.377 8.380 0.066 0.000 0.455 217 T N 0.442 115.080 114.554 0.139 0.000 2.747 217 T HA 0.356 4.780 4.350 0.123 0.000 0.236 217 T C -0.223 174.530 174.700 0.089 0.000 1.046 217 T CA -1.561 60.621 62.100 0.137 0.000 1.054 217 T CB 1.754 70.746 68.868 0.206 0.000 2.287 217 T HN 0.011 8.345 8.240 0.157 0.000 0.523 218 L N -1.159 120.115 121.223 0.085 0.000 2.488 218 L HA 0.244 4.601 4.340 0.027 0.000 0.249 218 L C -0.105 176.820 176.870 0.092 0.000 1.151 218 L CA -0.345 54.527 54.840 0.054 0.000 0.806 218 L CB 1.033 43.106 42.059 0.023 0.000 1.261 218 L HN 0.212 8.497 8.230 0.092 0.000 0.484 219 S N -1.908 113.827 115.700 0.059 0.000 2.694 219 S HA 0.027 4.509 4.470 0.020 0.000 0.278 219 S C -1.232 173.486 174.600 0.196 0.000 1.152 219 S CA -0.449 57.791 58.200 0.068 0.000 1.010 219 S CB 0.891 64.102 63.200 0.019 0.000 1.104 219 S HN -0.320 8.008 8.310 0.029 0.000 0.547 220 F N 2.510 122.478 119.950 0.030 0.000 2.412 220 F HA -0.049 4.581 4.527 0.171 0.000 0.348 220 F C -0.725 175.094 175.800 0.032 0.000 1.102 220 F CA 0.713 58.770 58.000 0.095 0.000 1.196 220 F CB 1.316 40.361 39.000 0.074 0.000 1.144 220 F HN -0.268 8.166 8.300 0.224 0.000 0.541 221 D N 3.331 123.402 120.400 -0.549 0.000 2.489 221 D HA -0.060 4.458 4.640 -0.203 0.000 0.231 221 D C -0.666 175.361 176.300 -0.457 0.000 1.114 221 D CA -0.028 53.756 54.000 -0.360 0.000 0.842 221 D CB 0.285 40.947 40.800 -0.231 0.000 1.133 221 D HN -0.125 7.705 8.370 -0.900 0.000 0.506 222 K N 0.946 120.809 120.400 -0.896 0.000 2.363 222 K HA -0.049 4.074 4.320 -0.328 0.000 0.289 222 K C -0.756 175.724 176.600 -0.200 0.000 1.063 222 K CA 0.172 56.150 56.287 -0.515 0.000 0.967 222 K CB 0.176 32.364 32.500 -0.520 0.000 0.987 222 K HN -0.449 6.817 8.250 -1.639 0.000 0.473 223 S N 6.839 122.483 115.700 -0.093 0.000 2.439 223 S HA 0.059 4.545 4.470 0.027 0.000 0.282 223 S C 0.892 175.504 174.600 0.019 0.000 1.170 223 S CA -0.574 57.621 58.200 -0.008 0.000 1.054 223 S CB 0.524 63.714 63.200 -0.016 0.000 0.956 223 S HN 0.237 8.483 8.310 -0.107 0.000 0.490 224 N N 7.526 126.261 118.700 0.059 0.000 2.006 224 N HA -0.207 4.566 4.740 0.056 0.000 0.196 224 N C -0.398 175.130 175.510 0.030 0.000 1.057 224 N CA 2.686 55.768 53.050 0.054 0.000 0.853 224 N CB 0.361 38.887 38.487 0.065 0.000 1.051 224 N HN 0.524 8.955 8.380 0.084 0.000 0.423 225 D N -1.668 118.748 120.400 0.026 0.000 2.963 225 D HA 0.058 4.706 4.640 0.014 0.000 0.361 225 D C -0.138 176.170 176.300 0.013 0.000 1.317 225 D CA 0.005 54.016 54.000 0.017 0.000 0.832 225 D CB -0.704 40.106 40.800 0.017 0.000 1.135 225 D HN -0.555 7.833 8.370 0.031 0.000 0.476 226 G N -0.079 108.726 108.800 0.009 0.000 2.160 226 G HA2 -0.448 3.512 3.960 0.000 0.000 0.251 226 G HA3 -0.448 3.514 3.960 0.004 0.000 0.251 226 G C -0.650 174.255 174.900 0.008 0.000 1.008 226 G CA 0.341 45.444 45.100 0.005 0.000 0.724 226 G HN -0.200 8.095 8.290 0.008 0.000 0.514 227 E N -1.202 119.007 120.200 0.016 0.000 2.232 227 E HA 0.283 4.643 4.350 0.017 0.000 0.264 227 E C -1.175 175.440 176.600 0.026 0.000 0.973 227 E CA -2.107 54.305 56.400 0.021 0.000 0.849 227 E CB 2.376 32.093 29.700 0.028 0.000 1.198 227 E HN -0.310 8.037 8.360 0.019 0.025 0.407 228 T N 2.659 117.230 114.554 0.029 0.000 2.743 228 T HA 0.237 4.605 4.350 0.030 0.000 0.292 228 T C -1.694 173.039 174.700 0.055 0.000 0.972 228 T CA -2.429 59.692 62.100 0.034 0.000 0.967 228 T CB 0.372 69.255 68.868 0.026 0.000 0.926 228 T HN 0.062 8.317 8.240 0.026 0.000 0.459 229 P HA -0.011 4.483 4.420 0.124 0.000 0.267 229 P C -1.691 175.653 177.300 0.074 0.000 1.200 229 P CA -0.152 63.028 63.100 0.133 0.000 0.772 229 P CB 0.920 32.800 31.700 0.300 0.000 0.855 230 E N 0.658 120.882 120.200 0.040 0.000 2.248 230 E HA 0.064 4.423 4.350 0.015 0.000 0.267 230 E C -0.026 176.561 176.600 -0.022 0.000 0.877 230 E CA -0.610 55.796 56.400 0.010 0.000 0.759 230 E CB 1.531 31.234 29.700 0.006 0.000 1.182 230 E HN -0.050 8.331 8.360 0.034 0.000 0.418 231 G N 2.686 111.466 108.800 -0.033 0.000 2.341 231 G HA2 -0.370 3.552 3.960 -0.063 0.000 0.292 231 G HA3 -0.370 3.555 3.960 -0.059 0.000 0.292 231 G C -1.293 173.535 174.900 -0.120 0.000 1.021 231 G CA 0.710 45.771 45.100 -0.065 0.000 0.905 231 G HN 0.499 8.776 8.290 -0.022 0.000 0.508 232 I N -0.155 120.332 120.570 -0.140 0.000 2.466 232 I HA 0.023 3.989 4.170 -0.341 0.000 0.279 232 I C -1.854 174.038 176.117 -0.375 0.000 1.033 232 I CA -0.964 60.168 61.300 -0.280 0.000 1.123 232 I CB 0.861 38.714 38.000 -0.245 0.000 1.237 232 I HN -0.616 7.524 8.210 -0.091 0.016 0.460 233 G N 4.755 113.234 108.800 -0.535 0.000 2.658 233 G HA2 0.839 4.535 3.960 -0.441 0.000 0.292 233 G HA3 0.839 4.631 3.960 -0.281 0.000 0.292 233 G C -2.681 171.755 174.900 -0.774 0.000 1.320 233 G CA -1.268 43.526 45.100 -0.510 0.000 0.933 233 G HN 0.017 8.004 8.290 -0.504 0.000 0.476 234 F N -2.533 117.374 119.950 -0.072 0.000 2.611 234 F HA 0.996 5.684 4.527 -0.037 -0.184 0.324 234 F C -1.723 174.104 175.800 0.045 0.000 1.061 234 F CA -2.286 55.663 58.000 -0.085 0.000 0.954 234 F CB 5.139 43.892 39.000 -0.411 0.000 1.301 234 F HN -0.582 7.695 8.300 -0.038 0.000 0.482 235 A N -1.137 121.929 122.820 0.410 0.000 2.488 235 A HA 0.639 5.291 4.320 0.301 -0.151 0.295 235 A C -1.878 175.940 177.584 0.390 0.000 1.045 235 A CA -1.043 51.193 52.037 0.331 0.000 0.703 235 A CB 3.564 22.676 19.000 0.187 0.000 1.271 235 A HN 0.448 8.910 8.150 0.520 0.000 0.400 236 I N 3.467 124.205 120.570 0.280 0.000 2.662 236 I HA 0.180 4.332 4.170 -0.030 0.000 0.285 236 I C -1.452 174.703 176.117 0.063 0.000 1.161 236 I CA -3.332 58.016 61.300 0.080 0.000 1.415 236 I CB -0.683 37.328 38.000 0.019 0.000 1.385 236 I HN -0.031 8.341 8.210 0.271 0.000 0.552 237 P HA 0.026 4.609 4.420 0.064 -0.124 0.267 237 P C 1.012 178.293 177.300 -0.032 0.000 1.200 237 P CA 0.119 63.213 63.100 -0.011 0.000 0.772 237 P CB 0.221 31.856 31.700 -0.108 0.000 0.855 238 F N 3.166 123.107 119.950 -0.016 0.000 2.234 238 F HA -0.317 4.202 4.527 -0.013 0.000 0.299 238 F C 1.131 176.914 175.800 -0.028 0.000 1.087 238 F CA 3.592 61.581 58.000 -0.018 0.000 1.340 238 F CB -0.500 38.491 39.000 -0.015 0.000 1.031 238 F HN -0.118 8.323 8.300 0.236 0.000 0.500 239 Q N -0.446 118.780 119.800 -0.957 0.000 1.993 239 Q HA -0.342 3.661 4.340 -0.562 0.000 0.202 239 Q C 2.098 177.934 176.000 -0.274 0.000 0.984 239 Q CA 3.378 58.795 55.803 -0.644 0.000 0.837 239 Q CB -1.359 26.991 28.738 -0.646 0.000 0.902 239 Q HN 0.142 7.645 8.270 -1.278 0.000 0.423 240 L N -1.096 119.983 121.223 -0.239 0.000 2.042 240 L HA -0.293 3.958 4.340 -0.149 0.000 0.210 240 L C 1.435 178.241 176.870 -0.107 0.000 1.076 240 L CA 2.633 57.377 54.840 -0.159 0.000 0.749 240 L CB -0.859 41.100 42.059 -0.167 0.000 0.893 240 L HN -0.540 7.525 8.230 -0.274 0.000 0.432 241 A N -2.306 120.469 122.820 -0.076 0.000 1.883 241 A HA -0.432 3.866 4.320 -0.037 0.000 0.217 241 A C 1.915 179.487 177.584 -0.019 0.000 1.186 241 A CA 3.370 55.391 52.037 -0.027 0.000 0.624 241 A CB -0.992 18.022 19.000 0.023 0.000 0.822 241 A HN -0.187 7.915 8.150 -0.080 0.000 0.444 242 T N 0.616 115.168 114.554 -0.004 0.000 2.665 242 T HA -0.507 3.847 4.350 0.007 0.000 0.268 242 T C 2.063 176.740 174.700 -0.038 0.000 1.035 242 T CA 5.288 67.388 62.100 -0.001 0.000 1.151 242 T CB -0.258 68.629 68.868 0.032 0.000 0.862 242 T HN -0.485 7.759 8.240 0.006 0.000 0.438 243 K N 1.178 121.544 120.400 -0.056 0.000 2.032 243 K HA -0.337 3.947 4.320 -0.060 0.000 0.209 243 K C 2.525 179.087 176.600 -0.064 0.000 1.048 243 K CA 3.464 59.713 56.287 -0.064 0.000 0.927 243 K CB -0.263 32.192 32.500 -0.075 0.000 0.712 243 K HN -0.795 7.415 8.250 -0.066 0.000 0.441 244 I N -0.396 120.136 120.570 -0.063 0.000 2.163 244 I HA -0.456 3.678 4.170 -0.060 0.000 0.243 244 I C 1.829 177.911 176.117 -0.059 0.000 1.085 244 I CA 2.750 64.015 61.300 -0.059 0.000 1.347 244 I CB -1.070 36.897 38.000 -0.055 0.000 1.044 244 I HN -0.335 7.837 8.210 -0.065 0.000 0.408 245 M N 1.899 121.464 119.600 -0.058 0.000 2.065 245 M HA -0.605 3.835 4.480 -0.066 0.000 0.259 245 M C 1.473 177.702 176.300 -0.119 0.000 1.071 245 M CA 4.868 60.123 55.300 -0.076 0.000 1.109 245 M CB -0.156 32.404 32.600 -0.066 0.000 1.313 245 M HN -0.047 8.214 8.290 -0.049 0.000 0.408 246 D N -0.956 119.375 120.400 -0.114 0.000 2.149 246 D HA -0.423 4.115 4.640 -0.170 0.000 0.194 246 D C 2.656 178.891 176.300 -0.109 0.000 1.001 246 D CA 3.625 57.549 54.000 -0.127 0.000 0.849 246 D CB -0.713 40.033 40.800 -0.090 0.000 0.939 246 D HN -0.217 8.097 8.370 -0.093 0.000 0.449 247 K N -0.418 119.932 120.400 -0.083 0.000 2.103 247 K HA -0.223 4.060 4.320 -0.063 0.000 0.204 247 K C 2.392 178.954 176.600 -0.063 0.000 1.052 247 K CA 2.905 59.153 56.287 -0.066 0.000 0.945 247 K CB -0.070 32.396 32.500 -0.056 0.000 0.722 247 K HN -0.553 7.638 8.250 -0.078 0.013 0.443 248 L N -1.110 120.072 121.223 -0.067 0.000 2.109 248 L HA -0.315 4.001 4.340 -0.041 0.000 0.207 248 L C 2.359 179.194 176.870 -0.059 0.000 1.086 248 L CA 2.946 57.755 54.840 -0.052 0.000 0.760 248 L CB 0.043 42.076 42.059 -0.043 0.000 0.910 248 L HN -0.360 7.743 8.230 -0.072 0.083 0.437 249 I N -2.513 117.988 120.570 -0.114 0.000 2.226 249 I HA -0.511 3.600 4.170 -0.099 0.000 0.245 249 I C 2.854 178.920 176.117 -0.086 0.000 1.100 249 I CA 3.680 64.889 61.300 -0.152 0.000 1.374 249 I CB -0.369 37.407 38.000 -0.374 0.000 1.057 249 I HN 0.106 8.231 8.210 -0.142 0.000 0.413 250 R N -0.133 120.317 120.500 -0.083 0.000 2.090 250 R HA -0.253 4.058 4.340 -0.049 0.000 0.228 250 R C 1.212 177.493 176.300 -0.032 0.000 1.110 250 R CA 2.882 58.950 56.100 -0.054 0.000 0.973 250 R CB -0.008 30.259 30.300 -0.055 0.000 0.869 250 R HN -0.409 7.713 8.270 -0.095 0.092 0.440 251 D N -3.190 117.191 120.400 -0.032 0.000 2.355 251 D HA 0.027 4.656 4.640 -0.019 0.000 0.218 251 D C -0.006 176.288 176.300 -0.010 0.000 1.004 251 D CA 0.368 54.356 54.000 -0.020 0.000 0.880 251 D CB 0.357 41.143 40.800 -0.023 0.000 0.911 251 D HN -0.374 7.883 8.370 -0.039 0.090 0.528 252 G N 0.000 108.797 108.800 -0.005 0.000 5.446 252 G HA2 0.000 nan 3.960 nan 0.000 0.244 252 G HA3 0.000 3.971 3.960 0.019 0.000 0.244 252 G CA 0.000 45.106 45.100 0.011 0.000 0.502 252 G HN 0.000 8.116 8.290 -0.011 0.167 0.925