2 118 (N_temp, Lch) 92 208.190 1 2cwyA ATOM 1001 CA ARG 7 16.753 21.723 8.653 1 VAL ATOM 1002 CA ARG 8 18.052 23.105 11.960 2 PRO ATOM 1003 CA ALA 9 15.580 24.148 14.677 3 ASP ATOM 1004 CA VAL 10 17.177 27.588 15.073 4 TRP ATOM 1005 CA VAL 11 15.475 28.139 18.425 5 GLU ATOM 1006 CA HIS 12 17.524 25.234 19.784 6 GLU ATOM 1007 CA GLY 13 20.697 26.315 18.004 7 VAL ATOM 1008 CA VAL 14 20.455 29.888 19.227 8 LEU ATOM 1009 CA ARG 15 19.790 28.397 22.658 9 GLY ATOM 1010 CA LEU 16 23.207 26.733 22.589 10 LEU ATOM 1011 CA TYR 17 24.717 29.991 21.323 11 TRP ATOM 1012 CA ASN 18 23.098 31.994 24.137 12 ARG ATOM 1013 CA SER 19 24.489 29.489 26.625 13 ALA ATOM 1014 CA GLY 20 27.974 29.996 25.156 14 GLY ATOM 1015 CA GLU 21 28.217 26.494 23.692 15 ARG ATOM 1016 CA PHE 22 29.893 27.622 20.474 16 TYR ATOM 1017 CA HIS 23 31.655 24.357 19.711 17 TYR ATOM 1018 CA GLU 24 28.350 22.529 20.200 18 GLU ATOM 1019 CA SER 25 26.691 24.836 17.644 19 VAL ATOM 1020 CA HIS 26 29.437 23.818 15.235 20 HIS ATOM 1021 CA ASP 27 28.932 20.080 15.880 21 GLU ATOM 1022 CA CYS 28 25.126 20.258 15.651 22 VAL ATOM 1023 CA PHE 29 25.182 22.049 12.283 23 LEU ATOM 1024 CA GLU 30 27.757 19.826 10.574 24 GLU ATOM 1025 CA ASP 31 25.223 17.120 9.507 25 PRO ATOM 1026 CA GLU 32 22.995 19.787 7.937 26 TYR ATOM 1027 CA TRP 33 25.872 21.427 6.083 27 TRP ATOM 1028 CA TYR 34 26.912 18.018 4.736 28 LEU ATOM 1029 CA ASN 35 23.512 17.493 3.101 29 LYS ATOM 1030 CA TYR 36 23.031 21.107 2.012 30 ALA ATOM 1031 CA GLY 39 23.547 22.821 -1.309 31 THR ATOM 1032 CA ASN 40 23.958 26.323 -2.702 32 GLY ATOM 1033 CA THR 41 22.719 29.184 -0.528 33 GLU ATOM 1034 CA GLU 42 21.670 26.904 2.320 34 GLU ATOM 1035 CA SER 43 25.111 25.266 2.428 35 ARG ATOM 1036 CA LYS 44 26.758 28.693 2.445 36 ARG ATOM 1037 CA PHE 45 24.538 29.868 5.278 37 LEU ATOM 1038 CA LEU 46 25.274 26.774 7.389 38 LEU ATOM 1039 CA HIS 47 29.023 27.059 6.898 39 GLN ATOM 1040 CA GLY 48 28.885 30.783 7.686 40 GLY ATOM 1041 CA MET 49 27.108 30.194 11.006 41 VAL ATOM 1042 CA VAL 50 29.544 27.351 11.740 42 ILE ATOM 1043 CA GLN 51 32.505 29.698 11.106 43 LEU ATOM 1044 CA VAL 52 31.060 32.425 13.353 44 LEU ATOM 1045 CA ALA 53 30.633 29.864 16.139 45 ALA ATOM 1046 CA ALA 54 34.184 28.634 15.457 46 ALA ATOM 1047 CA GLY 55 35.530 32.193 15.690 47 ALA ATOM 1048 CA ALA 56 34.031 32.728 19.130 48 LEU ATOM 1049 CA TYR 57 35.241 29.319 20.330 49 HIS ATOM 1050 CA HIS 59 38.788 30.151 19.213 50 GLN ATOM 1051 CA PHE 60 38.687 33.459 21.045 51 ARG ATOM 1052 CA ASP 61 37.536 31.749 24.237 52 ARG ATOM 1053 CA PHE 62 40.788 29.791 24.051 53 LEU ATOM 1054 CA GLU 63 42.750 33.019 23.580 54 GLY ATOM 1055 CA ASP 64 43.298 32.235 19.897 55 ARG ATOM 1056 CA GLY 67 42.589 34.350 16.750 56 PRO ATOM 1057 CA MET 68 39.005 34.525 15.516 57 GLY ATOM 1058 CA ARG 69 39.223 37.040 12.664 58 LEU ATOM 1059 CA SER 70 40.280 34.467 10.069 59 ARG ATOM 1060 CA LEU 71 37.082 32.522 10.796 60 ASN ATOM 1061 CA PHE 72 34.986 35.735 10.805 61 LEU ATOM 1062 CA ARG 73 36.464 36.669 7.401 62 ARG ATOM 1063 CA THR 74 35.632 33.238 5.953 63 LYS ATOM 1064 CA SER 75 32.126 33.447 7.411 64 ALA ATOM 1065 CA LEU 76 31.584 36.865 5.823 65 GLU ATOM 1066 CA GLN 77 32.756 35.487 2.477 66 ALA ATOM 1067 CA TYR 78 30.123 32.753 2.670 67 ARG ATOM 1068 CA PHE 79 27.271 34.974 3.912 68 LEU ATOM 1069 CA ARG 80 27.928 37.781 1.467 69 GLU ATOM 1070 CA GLY 81 25.024 38.214 -0.921 70 GLY ATOM 1071 CA VAL 82 22.671 35.736 0.725 71 LEU ATOM 1072 CA PRO 83 19.058 36.754 1.230 72 PRO ATOM 1073 CA ASN 84 18.023 37.372 4.865 73 CYS ATOM 1074 CA ASP 85 16.436 35.692 6.566 74 PRO ATOM 1075 CA TYR 87 17.341 32.307 5.115 75 LEU ATOM 1076 CA GLY 88 14.291 30.704 9.073 76 GLY ATOM 1077 CA VAL 89 17.354 32.473 10.492 77 LEU ATOM 1078 CA ASP 90 18.094 36.208 10.750 78 ASP ATOM 1079 CA LEU 91 21.812 35.695 10.117 79 TRP ATOM 1080 CA LEU 92 22.516 39.425 9.763 80 ARG ATOM 1081 CA ASP 93 21.783 39.747 13.491 81 SER ATOM 1082 CA VAL 94 23.945 36.751 14.385 82 LEU ATOM 1083 CA ARG 95 26.827 38.095 12.291 83 LEU ATOM 1084 CA THR 96 26.363 41.504 13.955 84 GLN ATOM 1085 CA THR 97 26.618 39.880 17.387 85 GLU ATOM 1086 CA VAL 98 29.685 37.820 16.444 86 ALA ATOM 1087 CA THR 99 31.396 40.921 15.075 87 ARG ATOM 1088 CA ASN 100 30.757 42.839 18.279 88 ARG ATOM 1089 CA ALA 101 31.973 39.981 20.475 89 ARG ATOM 1090 CA LEU 102 35.155 39.783 18.384 90 LEU ATOM 1091 CA SER 103 35.697 43.528 18.442 91 GLY ATOM 1092 CA ASP 104 35.448 43.462 14.649 92 ALA TER 99 111.910 2 5fshA2 ATOM 2001 CA HIS 3 22.551 19.520 37.391 4 GLU ATOM 2002 CA GLU 4 20.570 16.651 38.895 5 ALA ATOM 2003 CA THR 5 20.739 14.161 35.976 6 LEU ATOM 2004 CA LEU 6 24.326 13.160 35.192 7 ALA ATOM 2005 CA ARG 7 23.659 11.028 32.122 8 GLU ATOM 2006 CA ARG 8 21.730 13.776 30.312 9 VAL ATOM 2007 CA ALA 9 25.113 15.208 29.318 10 ASP ATOM 2008 CA VAL 10 25.088 12.386 26.738 11 ALA ATOM 2009 CA VAL 11 22.064 14.000 25.090 12 LEU ATOM 2010 CA HIS 12 23.969 17.276 24.766 13 PHE ATOM 2011 CA GLY 13 26.985 15.371 23.476 14 ALA ATOM 2012 CA VAL 14 24.901 13.542 20.895 15 LYS ATOM 2013 CA ARG 15 23.402 16.837 19.765 16 GLU ATOM 2014 CA LEU 16 26.830 18.411 19.326 17 LEU ATOM 2015 CA TYR 17 28.061 15.305 17.506 18 TYR ATOM 2016 CA ASN 18 25.277 15.602 14.942 19 GLY ATOM 2017 CA SER 19 26.350 19.146 14.049 20 LYS ATOM 2018 CA GLY 20 30.024 18.261 13.586 21 GLY ATOM 2019 CA GLU 21 31.245 20.143 16.694 22 GLU ATOM 2020 CA PHE 22 33.324 17.116 17.649 23 PHE ATOM 2021 CA HIS 23 35.555 18.837 20.214 24 GLY ATOM 2022 CA GLU 24 32.655 20.013 22.371 25 GLN ATOM 2023 CA SER 25 30.970 16.596 22.180 26 ALA ATOM 2024 CA HIS 26 34.279 15.086 23.275 27 ALA ATOM 2025 CA ASP 27 34.353 17.520 26.208 28 ALA ATOM 2026 CA CYS 28 30.833 16.535 27.296 29 TYR ATOM 2027 CA PHE 29 31.700 12.828 27.068 30 PHE ATOM 2028 CA GLU 30 34.996 13.185 28.951 31 ARG ATOM 2029 CA ASP 31 33.381 15.197 31.752 32 GLY ATOM 2030 CA GLU 32 30.523 12.709 31.926 33 MET ATOM 2031 CA TRP 33 33.124 10.004 32.586 34 VAL ATOM 2032 CA TYR 34 34.245 11.941 35.655 35 GLY ATOM 2033 CA ASN 35 30.751 12.735 36.915 36 ARG ATOM 2034 CA TYR 36 28.934 9.403 36.440 37 THR ATOM 2035 CA GLY 39 32.011 7.154 36.617 38 GLY ATOM 2036 CA ASN 40 30.925 5.211 33.499 39 ASN ATOM 2037 CA LYS 44 33.788 4.311 31.150 40 GLN ATOM 2038 CA PHE 45 31.607 3.608 28.105 41 ALA ATOM 2039 CA LEU 46 31.403 7.363 27.494 42 TYR ATOM 2040 CA HIS 47 35.207 7.414 27.323 43 ALA ATOM 2041 CA GLY 48 34.865 5.390 24.126 44 LEU ATOM 2042 CA MET 49 32.434 7.932 22.702 45 TYR ATOM 2043 CA VAL 50 34.929 10.633 23.640 46 ALA ATOM 2044 CA GLN 51 37.664 8.821 21.724 47 LEU ATOM 2045 CA VAL 52 35.419 8.671 18.681 48 LEU ATOM 2046 CA ALA 53 34.651 12.389 18.768 49 ALA ATOM 2047 CA ALA 54 38.336 13.198 19.277 50 GLU ATOM 2048 CA GLY 55 39.217 11.105 16.224 51 MET ATOM 2049 CA ALA 56 36.777 13.068 14.090 52 TYR ATOM 2050 CA TYR 57 38.118 16.307 15.543 53 ARG ATOM 2051 CA HIS 59 41.732 15.494 14.719 54 ALA ATOM 2052 CA PHE 60 40.628 14.210 11.316 55 TRP ATOM 2053 CA ASP 61 38.749 17.437 10.518 56 ARG ATOM 2054 CA PHE 62 41.724 19.451 11.795 57 ALA ATOM 2055 CA GLU 63 43.983 17.541 9.337 58 LEU ATOM 2056 CA ASP 64 45.905 16.034 12.291 59 ASP ATOM 2057 CA ASP 65 45.906 12.550 10.812 60 PHE ATOM 2058 CA ASP 66 48.420 11.130 13.290 61 GLY ATOM 2059 CA GLY 67 46.288 12.145 16.262 62 GLU ATOM 2060 CA MET 68 43.223 10.797 14.455 63 ALA ATOM 2061 CA ARG 69 44.872 7.419 13.792 64 LEU ATOM 2062 CA SER 70 46.076 7.186 17.397 65 LYS ATOM 2063 CA LEU 71 42.599 7.870 18.804 66 ALA ATOM 2064 CA PHE 72 40.971 5.438 16.377 67 GLY ATOM 2065 CA ARG 73 43.425 2.652 17.201 68 ARG ATOM 2066 CA THR 74 42.813 3.136 20.917 69 LYS ATOM 2067 CA SER 75 39.063 3.067 20.217 70 LEU ATOM 2068 CA LEU 76 39.212 -0.168 18.202 71 LEU ATOM 2069 CA GLN 77 41.416 -1.767 20.853 72 GLY ATOM 2070 CA TYR 78 38.766 -0.880 23.424 73 GLN ATOM 2071 CA PHE 79 35.923 -2.134 21.212 74 LEU ATOM 2072 CA ARG 80 37.883 -5.408 20.999 75 SER ATOM 2073 CA GLY 81 37.745 -6.273 24.718 76 GLN ATOM 2074 CA VAL 82 34.900 -8.481 25.938 77 ASN ATOM 2075 CA ASP 85 33.778 -5.843 28.454 78 VAL ATOM 2076 CA TYR 86 32.751 -3.608 25.528 79 TRP ATOM 2077 CA TYR 87 31.254 -6.212 23.172 80 LEU ATOM 2078 CA GLY 88 27.779 -4.731 23.698 81 ASN ATOM 2079 CA VAL 89 28.925 -1.108 23.369 82 HIS ATOM 2080 CA ASP 90 27.169 -2.152 15.760 86 ALA ATOM 2081 CA LEU 91 28.976 0.014 13.169 87 ARG ATOM 2082 CA LEU 92 32.345 -1.715 13.673 88 ARG ATOM 2083 CA ASP 93 32.963 -2.371 9.972 89 GLU ATOM 2084 CA VAL 94 32.681 1.319 9.038 90 ALA ATOM 2085 CA ARG 95 34.970 2.362 11.899 91 LEU ATOM 2086 CA THR 96 37.638 -0.119 10.830 92 GLU ATOM 2087 CA THR 97 37.382 1.207 7.280 93 ALA ATOM 2088 CA VAL 98 37.793 4.792 8.525 94 GLN ATOM 2089 CA THR 99 40.772 3.954 10.746 95 VAL ATOM 2090 CA ASN 100 42.231 2.151 7.721 96 ALA ATOM 2091 CA ALA 101 41.901 5.410 5.762 97 LEU ATOM 2092 CA LEU 102 43.664 7.238 8.600 98 LEU ATOM 2093 CA SER 103 46.552 4.727 8.462 99 GLU ATOM 2094 CA ASP 104 46.918 5.130 4.700 100 ALA ATOM 2095 CA PRO 105 46.982 8.926 4.984 101 VAL ATOM 2096 CA SER 106 49.424 9.043 7.911 102 ASP ATOM 2097 CA ALA 107 51.789 6.706 6.067 103 ARG ATOM 2098 CA LEU 108 51.519 8.627 2.794 104 PHE ATOM 2099 CA HIS 109 52.273 11.839 4.700 105 LEU TER