GLY ALA SER CYS VAL THR ILE PRO MET ASP ASN LEU LYS GLU GLN ARG HIS PHE TYR TRP GLY 4.082 4.046 4.205 4.405 4.748 4.567 4.932 4.627 4.831 4.496 4.624 4.890 4.993 4.666 4.791 5.186 4.803 4.958 5.075 5.219 ALA 4.046 4.023 4.233 4.388 4.663 4.596 4.855 4.572 4.821 4.570 4.602 4.835 4.892 4.676 4.729 5.092 4.796 5.007 5.075 5.327 SER 4.205 4.233 4.324 4.608 4.869 4.678 5.089 4.768 5.035 4.508 4.727 5.054 5.019 4.705 4.891 5.303 4.890 5.306 5.428 5.516 CYS 4.405 4.388 4.608 3.542 5.028 4.924 5.188 4.969 5.088 4.931 4.971 5.164 5.178 5.004 5.021 5.429 5.129 5.416 5.486 5.570 VAL 4.748 4.663 4.869 5.028 5.265 5.227 5.453 5.266 5.414 5.220 5.230 5.450 5.476 5.228 5.295 5.636 5.384 5.614 5.665 5.940 THR 4.567 4.596 4.678 4.924 5.227 4.986 5.440 5.146 5.404 4.911 5.042 5.409 5.350 5.073 5.169 5.594 5.257 5.666 5.716 5.949 ILE 4.932 4.855 5.089 5.188 5.453 5.440 5.635 5.465 5.607 5.442 5.374 5.657 5.670 5.452 5.485 5.815 5.541 5.807 5.835 6.097 PRO 4.627 4.572 4.768 4.969 5.266 5.146 5.465 5.137 5.310 5.143 5.144 5.420 5.436 5.181 5.224 5.582 5.160 5.363 5.442 5.464 MET 4.831 4.821 5.035 5.088 5.414 5.404 5.607 5.310 5.547 5.390 5.335 5.611 5.576 5.508 5.413 5.735 5.525 5.739 5.790 6.056 ASP 4.496 4.570 4.508 4.931 5.220 4.911 5.442 5.143 5.390 5.270 5.092 5.381 5.205 5.450 5.319 5.345 5.219 5.674 5.749 6.004 ASN 4.624 4.602 4.727 4.971 5.230 5.042 5.374 5.144 5.335 5.092 5.072 5.333 5.400 5.254 5.259 5.664 5.342 5.545 5.680 5.830 LEU 4.890 4.835 5.054 5.164 5.450 5.409 5.657 5.420 5.611 5.381 5.333 5.679 5.641 5.446 5.442 5.769 5.508 5.797 5.775 6.053 LYS 4.993 4.892 5.019 5.178 5.476 5.350 5.670 5.436 5.576 5.205 5.400 5.641 5.978 5.304 5.455 6.087 5.493 5.621 5.597 5.582 GLU 4.666 4.676 4.705 5.004 5.228 5.073 5.452 5.181 5.508 5.450 5.254 5.446 5.304 5.652 5.467 5.495 5.398 5.702 5.814 6.021 GLN 4.791 4.729 4.891 5.021 5.295 5.169 5.485 5.224 5.413 5.319 5.259 5.442 5.455 5.467 5.442 5.696 5.427 5.607 5.779 5.820 ARG 5.186 5.092 5.303 5.429 5.636 5.594 5.815 5.582 5.735 5.345 5.664 5.769 6.087 5.495 5.696 6.186 5.722 5.788 5.922 5.827 HIS 4.803 4.796 4.890 5.129 5.384 5.257 5.541 5.160 5.525 5.219 5.342 5.508 5.493 5.398 5.427 5.722 5.494 5.639 5.797 5.858 PHE 4.958 5.007 5.306 5.416 5.614 5.666 5.807 5.363 5.739 5.674 5.545 5.797 5.621 5.702 5.607 5.788 5.639 5.937 6.053 6.285 TYR 5.075 5.075 5.428 5.486 5.665 5.716 5.835 5.442 5.790 5.749 5.680 5.775 5.597 5.814 5.779 5.922 5.797 6.053 6.192 6.411 TRP 5.219 5.327 5.516 5.570 5.940 5.949 6.097 5.464 6.056 6.004 5.830 6.053 5.582 6.021 5.820 5.827 5.858 6.285 6.411 6.704 GLY ALA SER CYS VAL THR ILE PRO MET ASP ASN LEU LYS GLU GLN ARG HIS PHE TYR TRP GLY 0.275 0.289 0.431 0.414 0.439 0.502 0.507 0.425 0.575 0.526 0.538 0.428 0.672 0.569 0.582 0.789 0.674 0.721 0.868 0.909 ALA 0.289 0.281 0.417 0.410 0.456 0.484 0.534 0.433 0.568 0.554 0.537 0.439 0.660 0.622 0.587 0.841 0.670 0.656 0.801 0.852 SER 0.431 0.417 0.597 0.532 0.553 0.642 0.619 0.545 0.651 0.709 0.635 0.554 0.771 0.708 0.683 0.923 0.696 0.659 0.805 0.862 CYS 0.414 0.410 0.532 0.951 0.556 0.594 0.603 0.532 0.667 0.639 0.613 0.520 0.725 0.696 0.679 0.897 0.655 0.721 0.861 0.945 VAL 0.439 0.456 0.553 0.556 0.591 0.606 0.643 0.562 0.660 0.663 0.643 0.547 0.718 0.701 0.684 0.922 0.792 0.762 0.887 0.961 THR 0.502 0.484 0.642 0.594 0.606 0.694 0.653 0.595 0.701 0.726 0.678 0.590 0.779 0.735 0.715 0.928 0.740 0.717 0.835 0.866 ILE 0.507 0.534 0.619 0.603 0.643 0.653 0.712 0.599 0.716 0.710 0.726 0.617 0.751 0.743 0.750 0.964 0.837 0.808 0.926 1.004 PRO 0.425 0.433 0.545 0.532 0.562 0.595 0.599 0.513 0.654 0.656 0.639 0.540 0.728 0.677 0.665 0.912 0.758 0.801 0.935 1.009 MET 0.575 0.568 0.651 0.667 0.660 0.701 0.716 0.654 0.733 0.812 0.774 0.650 0.801 0.803 0.799 0.953 0.790 0.804 0.936 0.993 ASP 0.526 0.554 0.709 0.639 0.663 0.726 0.710 0.656 0.812 0.739 0.706 0.668 0.836 0.801 0.754 0.956 0.690 0.780 0.794 0.839 ASN 0.538 0.537 0.635 0.613 0.643 0.678 0.726 0.639 0.774 0.706 0.681 0.655 0.871 0.742 0.746 0.995 0.776 0.829 0.941 0.995 LEU 0.428 0.439 0.554 0.520 0.547 0.590 0.617 0.540 0.650 0.668 0.655 0.545 0.677 0.677 0.665 0.912 0.782 0.754 0.871 0.995 LYS 0.672 0.660 0.771 0.725 0.718 0.779 0.751 0.728 0.801 0.836 0.871 0.677 1.011 0.847 0.903 1.103 0.958 0.967 1.072 1.199 GLU 0.569 0.622 0.708 0.696 0.701 0.735 0.743 0.677 0.803 0.801 0.742 0.677 0.847 0.863 0.798 0.928 0.704 0.829 0.867 0.898 GLN 0.582 0.587 0.683 0.679 0.684 0.715 0.750 0.665 0.799 0.754 0.746 0.665 0.903 0.798 0.810 1.038 0.865 0.858 0.982 1.049 ARG 0.789 0.841 0.923 0.897 0.922 0.928 0.964 0.912 0.953 0.956 0.995 0.912 1.103 0.928 1.038 1.229 1.105 1.118 1.237 1.354 HIS 0.674 0.670 0.696 0.655 0.792 0.740 0.837 0.758 0.790 0.690 0.776 0.782 0.958 0.704 0.865 1.105 0.862 0.888 0.989 1.100 PHE 0.721 0.656 0.659 0.721 0.762 0.717 0.808 0.801 0.804 0.780 0.829 0.754 0.967 0.829 0.858 1.118 0.888 0.799 0.901 0.963 TYR 0.868 0.801 0.805 0.861 0.887 0.835 0.926 0.935 0.936 0.794 0.941 0.871 1.072 0.867 0.982 1.237 0.989 0.901 1.060 1.053 TRP 0.909 0.852 0.862 0.945 0.961 0.866 1.004 1.009 0.993 0.839 0.995 0.995 1.199 0.898 1.049 1.354 1.100 0.963 1.053 1.047 GLY ALA SER CYS VAL THR ILE PRO MET ASP ASN LEU LYS GLU GLN ARG HIS PHE TYR TRP GLY 4.083 4.687 4.969 5.239 5.451 5.258 5.774 5.136 6.152 5.389 5.528 5.929 6.129 5.846 6.094 6.869 5.943 6.308 6.627 6.846 ALA 4.687 5.409 5.517 5.945 6.185 5.887 6.573 5.809 6.902 5.751 5.999 6.727 6.175 6.141 6.406 6.951 6.462 7.174 7.045 7.553 SER 4.969 5.517 5.611 5.902 6.121 5.849 6.497 5.961 6.778 6.074 6.122 6.659 6.619 6.541 6.581 7.297 6.761 7.061 7.297 7.569 CYS 5.239 5.945 5.902 5.998 6.612 6.250 6.975 6.442 7.140 6.141 6.261 7.076 6.656 6.446 6.788 7.107 7.184 7.421 7.194 7.537 VAL 5.451 6.185 6.121 6.612 6.788 6.518 7.214 6.527 7.532 6.281 6.509 7.450 6.650 6.578 6.866 7.216 6.899 7.809 7.561 8.204 THR 5.258 5.887 5.849 6.250 6.518 6.004 6.955 6.230 7.274 6.187 6.323 7.157 6.674 6.635 6.710 7.390 6.830 7.567 7.620 7.987 ILE 5.774 6.573 6.497 6.975 7.214 6.955 7.642 6.968 7.940 6.657 6.816 7.899 7.068 7.001 7.278 7.598 7.336 8.251 7.906 8.575 PRO 5.136 5.809 5.961 6.442 6.527 6.230 6.968 6.247 7.177 6.197 6.397 7.096 6.640 6.677 6.905 7.666 6.889 7.337 7.718 7.763 MET 6.152 6.902 6.778 7.140 7.532 7.274 7.940 7.177 8.140 6.950 7.194 8.108 7.453 7.436 7.594 7.974 7.717 8.437 8.268 8.782 ASP 5.389 5.751 6.074 6.141 6.281 6.187 6.657 6.197 6.950 6.597 6.560 6.828 7.521 7.078 7.082 8.154 7.312 7.348 8.335 8.135 ASN 5.528 5.999 6.122 6.261 6.509 6.323 6.816 6.397 7.194 6.560 6.434 6.970 7.053 7.010 7.134 7.697 7.041 7.310 7.706 7.821 LEU 5.929 6.727 6.659 7.076 7.450 7.157 7.899 7.096 8.108 6.828 6.970 8.074 7.236 7.215 7.391 7.756 7.557 8.460 8.140 8.693 LYS 6.129 6.175 6.619 6.656 6.650 6.674 7.068 6.640 7.453 7.521 7.053 7.236 7.469 7.817 7.396 8.200 7.339 7.619 7.710 7.751 GLU 5.846 6.141 6.541 6.446 6.578 6.635 7.001 6.677 7.436 7.078 7.010 7.215 7.817 7.535 7.524 8.583 7.883 7.704 8.503 8.463 GLN 6.094 6.406 6.581 6.788 6.866 6.710 7.278 6.905 7.594 7.082 7.134 7.391 7.396 7.524 7.543 8.087 7.495 7.761 8.111 8.188 ARG 6.869 6.951 7.297 7.107 7.216 7.390 7.598 7.666 7.974 8.154 7.697 7.756 8.200 8.583 8.087 8.870 8.089 8.066 8.363 8.416 HIS 5.943 6.462 6.761 7.184 6.899 6.830 7.336 6.889 7.717 7.312 7.041 7.557 7.339 7.883 7.495 8.089 8.024 7.937 8.327 8.392 PHE 6.308 7.174 7.061 7.421 7.809 7.567 8.251 7.337 8.437 7.348 7.310 8.460 7.619 7.704 7.761 8.066 7.937 8.735 8.508 9.046 TYR 6.627 7.045 7.297 7.194 7.561 7.620 7.906 7.718 8.268 8.335 7.706 8.140 7.710 8.503 8.111 8.363 8.327 8.508 8.305 8.922 TRP 6.846 7.553 7.569 7.537 8.204 7.987 8.575 7.763 8.782 8.135 7.821 8.693 7.751 8.463 8.188 8.416 8.392 9.046 8.922 9.320 GLY ALA SER CYS VAL THR ILE PRO MET ASP ASN LEU LYS GLU GLN ARG HIS PHE TYR TRP GLY 0.283 0.545 0.699 0.853 0.764 0.729 1.031 0.819 1.366 0.973 1.007 1.143 1.665 1.296 1.343 1.939 1.315 1.479 1.777 1.758 ALA 0.545 0.703 0.802 0.958 0.935 0.936 1.175 0.917 1.457 0.956 1.053 1.231 1.440 1.215 1.355 1.876 1.377 1.616 1.769 1.875 SER 0.699 0.802 0.927 1.030 1.036 1.029 1.254 1.058 1.523 1.101 1.162 1.318 1.740 1.423 1.467 2.039 1.546 1.734 1.934 1.937 CYS 0.853 0.958 1.030 1.125 1.237 1.175 1.399 1.219 1.604 1.131 1.166 1.447 1.542 1.305 1.377 1.849 1.676 1.808 1.805 2.110 VAL 0.764 0.935 1.036 1.237 1.268 1.196 1.450 1.128 1.654 1.098 1.217 1.466 1.431 1.283 1.431 1.876 1.487 1.821 1.859 2.069 THR 0.729 0.936 1.029 1.175 1.196 1.200 1.389 1.128 1.687 1.142 1.257 1.439 1.716 1.460 1.542 2.087 1.609 1.788 1.972 1.980 ILE 1.031 1.175 1.254 1.399 1.450 1.389 1.657 1.305 1.813 1.329 1.376 1.633 1.546 1.488 1.562 1.957 1.621 1.929 1.950 2.148 PRO 0.819 0.917 1.058 1.219 1.128 1.128 1.305 1.100 1.556 1.185 1.238 1.374 1.619 1.385 1.441 2.005 1.462 1.679 1.922 1.859 MET 1.366 1.457 1.523 1.604 1.654 1.687 1.813 1.556 1.903 1.611 1.640 1.781 1.808 1.737 1.765 2.065 1.833 2.057 2.095 2.266 ASP 0.973 0.956 1.101 1.131 1.098 1.142 1.329 1.185 1.611 1.464 1.359 1.347 1.988 1.800 1.660 2.169 1.760 1.749 2.050 1.979 ASN 1.007 1.053 1.162 1.166 1.217 1.257 1.376 1.238 1.640 1.359 1.343 1.442 1.856 1.618 1.639 2.139 1.643 1.760 2.045 2.041 LEU 1.143 1.231 1.318 1.447 1.466 1.439 1.633 1.374 1.781 1.347 1.442 1.616 1.580 1.465 1.539 1.940 1.661 1.933 1.925 2.135 LYS 1.665 1.440 1.740 1.542 1.431 1.716 1.546 1.619 1.808 1.988 1.856 1.580 2.355 2.233 1.997 2.494 2.010 1.845 2.273 2.112 GLU 1.296 1.215 1.423 1.305 1.283 1.460 1.488 1.385 1.737 1.800 1.618 1.465 2.233 2.030 1.912 2.406 1.947 1.844 2.217 2.125 GLN 1.343 1.355 1.467 1.377 1.431 1.542 1.562 1.441 1.765 1.660 1.639 1.539 1.997 1.912 1.864 2.238 1.868 1.883 2.214 2.191 ARG 1.939 1.876 2.039 1.849 1.876 2.087 1.957 2.005 2.065 2.169 2.139 1.940 2.494 2.406 2.238 2.593 2.249 2.128 2.507 2.416 HIS 1.315 1.377 1.546 1.676 1.487 1.609 1.621 1.462 1.833 1.760 1.643 1.661 2.010 1.947 1.868 2.249 2.055 1.871 2.238 2.142 PHE 1.479 1.616 1.734 1.808 1.821 1.788 1.929 1.679 2.057 1.749 1.760 1.933 1.845 1.844 1.883 2.128 1.871 2.206 2.258 2.382 TYR 1.777 1.769 1.934 1.805 1.859 1.972 1.950 1.922 2.095 2.050 2.045 1.925 2.273 2.217 2.214 2.507 2.238 2.258 2.409 2.515 TRP 1.758 1.875 1.937 2.110 2.069 1.980 2.148 1.859 2.266 1.979 2.041 2.135 2.112 2.125 2.191 2.416 2.142 2.382 2.515 2.613 First half is for SG-contact: read(1,*) do i=0,19 read(1,*)NAME,(cut(i,j),j=0,19) enddo read(1,*) do i=0,19 read(1,*)NAME,(cut_dev(i,j),j=0,19) enddo do i=0,19 do j=0,19 concut(i,j)=cut(i,j)+cut_dev(i,j)*2.5 !real cut-off enddo enddo The second half is for CA-contact.