2 113 (N_temp, Lch) 113 214.140 1 2qupA ATOM 1001 CA GLU 1 0.299 5.357 19.111 3 SER ATOM 1002 CA PHE 2 -0.690 1.952 17.683 4 PHE ATOM 1003 CA PHE 3 1.572 1.799 14.615 5 SER ATOM 1004 CA ASP 4 4.541 2.761 16.780 6 GLU ATOM 1005 CA ILE 5 3.834 -0.198 19.091 7 VAL ATOM 1006 CA LEU 6 3.198 -2.556 16.129 8 MET ATOM 1007 CA GLU 7 6.601 -1.605 14.675 9 GLY ATOM 1008 CA ASP 8 8.375 -2.264 17.967 10 LYS ATOM 1009 CA VAL 9 6.664 -5.636 18.258 11 GLN ATOM 1010 CA LYS 10 7.615 -6.446 14.676 12 ARG ATOM 1011 CA GLU 11 11.271 -5.716 15.523 13 ASP ATOM 1012 CA ASP 12 10.984 -7.808 18.682 14 GLU ATOM 1013 CA HIS 13 9.586 -10.871 16.903 15 LYS ATOM 1014 CA PHE 14 12.172 -10.562 14.142 16 ALA ATOM 1015 CA GLU 15 14.870 -10.461 16.848 17 TYR ATOM 1016 CA LYS 16 13.383 -13.567 18.479 18 GLU ATOM 1017 CA LEU 17 13.388 -15.436 15.150 19 ARG ATOM 1018 CA LEU 18 17.038 -14.485 14.725 20 LEU ATOM 1019 CA GLU 19 17.805 -15.845 18.211 21 GLN ATOM 1020 CA GLU 20 16.151 -19.160 17.304 22 ALA ATOM 1021 CA ALA 21 18.093 -19.318 14.023 23 LEU ATOM 1022 CA VAL 22 21.365 -18.549 15.845 24 MET ATOM 1023 CA GLU 23 20.689 -21.527 18.156 25 SER ATOM 1024 CA GLU 24 20.499 -23.785 15.071 26 LYS ATOM 1025 CA VAL 25 23.568 -22.051 13.634 27 ILE ATOM 1026 CA ILE 26 25.502 -22.716 16.886 28 ASP ATOM 1027 CA ASP 27 24.535 -26.404 16.854 29 ASP ATOM 1028 CA SER 28 25.322 -26.857 13.176 30 GLN ATOM 1029 CA GLY 29 28.628 -25.001 13.468 31 GLY ATOM 1030 CA ASN 30 29.603 -27.307 16.265 32 LYS ATOM 1031 CA GLU 31 28.474 -30.384 14.252 33 LEU ATOM 1032 CA LEU 32 30.540 -29.146 11.301 34 LEU ATOM 1033 CA VAL 33 33.579 -28.684 13.542 35 SER ATOM 1034 CA ARG 34 33.169 -32.323 14.684 36 GLU ATOM 1035 CA SER 35 32.215 -34.005 11.391 37 THR ATOM 1036 CA PRO 36 33.941 -31.718 8.824 38 ARG ATOM 1037 CA THR 37 31.993 -32.981 5.844 39 THR ATOM 1038 CA PRO 38 30.678 -30.997 2.856 40 ILE ATOM 1039 CA SER 39 27.261 -32.288 3.880 41 GLU ATOM 1040 CA ASN 40 27.573 -30.436 7.198 42 GLU ATOM 1041 CA LEU 41 29.056 -27.381 5.435 43 LEU ATOM 1042 CA LYS 42 26.048 -27.278 3.114 44 ARG ATOM 1043 CA ARG 43 23.636 -27.245 6.091 45 LYS ATOM 1044 CA TYR 44 25.758 -24.622 7.942 46 TYR ATOM 1045 CA LYS 45 25.962 -22.163 5.050 47 LYS ATOM 1046 CA ASN 46 22.264 -22.554 4.283 48 GLU ATOM 1047 CA ALA 47 21.474 -21.455 7.835 49 LEU ATOM 1048 CA ILE 48 24.035 -18.649 7.840 50 VAL ATOM 1049 CA LYS 49 22.790 -17.340 4.474 51 LYS ATOM 1050 CA GLU 50 19.236 -17.328 5.881 52 GLU ATOM 1051 CA PHE 51 20.358 -15.385 8.971 53 PHE ATOM 1052 CA LEU 52 22.200 -12.727 6.930 54 VAL ATOM 1053 CA LYS 53 19.040 -12.066 4.876 55 GLY ATOM 1054 CA LEU 54 16.900 -11.636 7.977 56 ASP ATOM 1055 CA ILE 55 19.485 -9.706 9.988 57 ALA ATOM 1056 CA GLU 56 20.145 -7.142 7.202 58 VAL ATOM 1057 CA LYS 57 16.389 -6.606 6.880 59 GLU ATOM 1058 CA LYS 58 16.113 -5.984 10.638 60 LEU ATOM 1059 CA ILE 59 19.332 -3.891 10.720 61 GLY ATOM 1060 CA TYR 60 18.158 -1.502 8.009 62 LEU ATOM 1061 CA LYS 61 14.796 -1.009 9.725 63 ARG ATOM 1062 CA LEU 62 16.375 -0.364 13.143 64 LEU ATOM 1063 CA ASN 63 18.519 2.351 11.507 65 GLU ATOM 1064 CA SER 64 15.237 4.139 10.747 66 GLU ATOM 1065 CA GLY 65 25.545 2.815 12.769 70 ARG ATOM 1066 CA ARG 66 25.166 3.387 9.019 71 GLY ATOM 1067 CA ALA 67 27.975 1.351 5.125 73 THR ATOM 1068 CA ARG 68 28.842 -0.580 8.352 74 LYS ATOM 1069 CA LEU 69 26.065 -3.170 7.982 75 ILE ATOM 1070 CA HIS 70 27.149 -3.843 4.405 76 TYR ATOM 1071 CA LEU 71 30.816 -4.027 5.457 77 LYS ATOM 1072 CA VAL 72 29.939 -6.760 7.964 78 ILE ATOM 1073 CA VAL 73 27.976 -8.734 5.345 79 VAL ATOM 1074 CA GLU 74 30.949 -8.503 3.014 80 LYS ATOM 1075 CA GLU 75 33.292 -9.815 5.724 81 GLU ATOM 1076 CA VAL 76 30.909 -12.704 6.443 82 VAL ATOM 1077 CA ASN 77 31.011 -13.682 2.748 83 ASP ATOM 1078 CA GLU 78 34.852 -13.502 2.796 84 ARG ATOM 1079 CA LYS 79 34.938 -15.779 5.875 85 LYS ATOM 1080 CA LEU 80 32.422 -18.293 4.497 86 LEU ATOM 1081 CA MET 81 34.571 -18.789 1.376 87 LEU ATOM 1082 CA ASP 82 37.661 -19.249 3.583 88 ASP ATOM 1083 CA LEU 83 35.800 -21.829 5.611 89 LEU ATOM 1084 CA THR 84 34.789 -23.789 2.507 90 THR ATOM 1085 CA GLU 85 38.452 -23.915 1.604 91 ASP ATOM 1086 CA LYS 86 39.509 -25.151 5.025 92 ALA ATOM 1087 CA ILE 87 36.854 -27.876 4.973 93 VAL ATOM 1088 CA MET 88 37.842 -28.869 1.419 94 LEU ATOM 1089 CA LYS 89 41.582 -29.054 2.237 95 ALA ATOM 1090 CA ASN 90 43.218 -32.390 2.897 96 LYS ATOM 1091 CA GLU 91 44.229 -32.046 6.529 97 GLU ATOM 1092 CA TRP 92 41.378 -30.642 8.607 98 LYS ATOM 1093 CA GLN 93 41.506 -29.578 12.288 99 LYS ATOM 1094 CA THR 94 38.338 -29.397 14.411 100 GLY ATOM 1095 CA ILE 95 39.533 -26.529 16.632 101 LEU ATOM 1096 CA ASN 96 40.541 -24.196 13.780 102 ASP ATOM 1097 CA LEU 97 37.134 -24.939 12.184 103 ILE ATOM 1098 CA ALA 98 35.493 -24.105 15.519 104 LEU ATOM 1099 CA ALA 99 37.387 -20.776 15.597 105 ASN ATOM 1100 CA ARG 100 36.299 -19.953 12.045 106 MET ATOM 1101 CA ILE 101 32.623 -20.501 12.871 107 VAL ATOM 1102 CA GLU 102 32.963 -18.486 16.104 108 GLY ATOM 1103 CA GLU 103 34.338 -15.569 14.094 109 GLU ATOM 1104 CA ILE 104 31.473 -15.789 11.650 110 ILE ATOM 1105 CA ASN 105 28.976 -15.791 14.557 111 LYS ATOM 1106 CA GLY 106 30.775 -12.707 15.911 112 GLY ATOM 1107 CA LEU 107 30.271 -10.926 12.616 113 LEU ATOM 1108 CA ILE 108 26.678 -12.260 12.325 114 LEU ATOM 1109 CA LEU 109 25.311 -10.849 15.551 115 ILE ATOM 1110 CA ASN 110 26.704 -7.407 14.632 116 ASN ATOM 1111 CA LEU 111 24.656 -7.248 11.395 117 ILE ATOM 1112 CA TYR 112 21.377 -6.111 12.819 118 TYR ATOM 1113 CA ARG 113 22.622 -3.914 15.649 119 ALA TER 88 162.290 2 5un5D ATOM 2001 CA PHE 14 -6.898 4.693 28.234 1 ALA ATOM 2002 CA GLU 15 -6.617 1.849 25.726 2 ARG ATOM 2003 CA LYS 16 -10.382 2.007 25.153 3 GLU ATOM 2004 CA LEU 17 -10.149 5.730 24.358 4 GLN ATOM 2005 CA LEU 18 -7.681 5.034 21.537 5 LEU ATOM 2006 CA GLU 19 -10.013 2.396 20.071 6 LYS ATOM 2007 CA GLU 20 -12.917 4.862 19.949 7 GLU ATOM 2008 CA ALA 21 -10.635 7.451 18.360 8 GLY ATOM 2009 CA VAL 22 -9.863 5.000 15.557 9 MET ATOM 2010 CA GLU 23 -13.497 4.290 14.671 10 ILE ATOM 2011 CA GLU 24 -14.116 8.048 14.755 11 LYS ATOM 2012 CA VAL 25 -11.326 8.464 12.187 12 ILE ATOM 2013 CA ILE 26 -12.812 5.721 10.006 13 GLU ATOM 2014 CA ASP 27 -16.221 7.393 10.284 14 GLU ATOM 2015 CA SER 28 -14.874 10.779 9.168 15 GLN ATOM 2016 CA GLY 29 -12.765 9.148 6.458 16 GLY ATOM 2017 CA ASN 30 -15.821 7.368 5.052 17 LYS ATOM 2018 CA GLU 31 -17.755 10.589 4.437 18 LYS ATOM 2019 CA LEU 32 -14.616 12.294 3.106 19 LEU ATOM 2020 CA VAL 33 -13.958 9.538 0.556 20 SER ATOM 2021 CA ARG 34 -17.661 9.196 -0.319 21 GLU ATOM 2022 CA SER 35 -18.311 10.294 -3.899 22 THR ATOM 2023 CA PRO 36 -21.790 9.271 -5.124 23 ARG ATOM 2024 CA THR 37 -21.598 11.909 -7.864 24 THR ATOM 2025 CA PRO 38 -23.111 9.807 -10.660 25 GLN ATOM 2026 CA SER 39 -26.434 9.318 -8.866 26 GLU ATOM 2027 CA ASN 40 -26.704 13.104 -8.995 27 GLU ATOM 2028 CA LEU 41 -25.357 13.095 -12.565 28 LEU ATOM 2029 CA LYS 42 -27.870 10.556 -13.891 29 GLN ATOM 2030 CA ARG 43 -30.737 12.517 -12.341 30 LYS ATOM 2031 CA TYR 44 -29.410 15.631 -14.084 31 TYR ATOM 2032 CA LYS 45 -29.066 13.969 -17.497 32 VAL ATOM 2033 CA ASN 46 -32.589 12.568 -17.167 33 ALA ATOM 2034 CA ALA 47 -33.944 16.037 -16.358 34 ALA ATOM 2035 CA ILE 48 -32.183 17.539 -19.386 35 VAL ATOM 2036 CA LYS 49 -33.341 14.738 -21.691 36 ALA ATOM 2037 CA GLU 50 -36.921 15.169 -20.457 37 THR ATOM 2038 CA PHE 51 -36.743 18.889 -21.243 38 PHE ATOM 2039 CA LEU 52 -35.226 17.956 -24.615 39 ALA ATOM 2040 CA LYS 53 -38.281 15.811 -25.360 40 LEU ATOM 2041 CA LYS 57 -40.770 18.509 -24.332 41 GLN ATOM 2042 CA LYS 58 -38.970 21.047 -26.542 42 ALA ATOM 2043 CA ILE 59 -39.224 18.671 -29.515 43 GLY ATOM 2044 CA GLY 65 -35.550 17.918 -30.132 44 PHE ATOM 2045 CA ARG 66 -36.558 14.853 -32.176 45 LEU ATOM 2046 CA ALA 67 -32.915 24.886 -36.927 46 GLU ATOM 2047 CA LEU 69 -33.468 23.337 -33.505 47 ILE ATOM 2048 CA HIS 70 -31.212 20.447 -34.550 48 GLY ATOM 2049 CA LEU 71 -28.184 22.682 -34.051 49 LYS ATOM 2050 CA VAL 72 -29.376 23.441 -30.511 50 ILE ATOM 2051 CA VAL 73 -29.939 19.728 -29.866 51 SER ATOM 2052 CA GLU 74 -26.423 18.948 -31.078 52 GLY ATOM 2053 CA GLU 75 -24.827 21.547 -28.810 53 GLU ATOM 2054 CA VAL 76 -26.668 20.205 -25.750 54 VAL ATOM 2055 CA ASN 77 -25.535 16.608 -26.271 55 TYR ATOM 2056 CA GLU 78 -21.908 17.609 -26.865 56 LEU ATOM 2057 CA LYS 79 -21.864 19.618 -23.630 57 LYS ATOM 2058 CA LEU 80 -23.465 16.712 -21.755 58 LEU ATOM 2059 CA MET 81 -20.623 14.438 -22.860 59 LEU ATOM 2060 CA ASP 82 -18.124 17.011 -21.589 60 ASP ATOM 2061 CA LEU 83 -20.060 17.216 -18.314 61 LEU ATOM 2062 CA THR 84 -19.995 13.428 -17.922 62 LYS ATOM 2063 CA GLU 85 -16.217 13.455 -18.448 63 LYS ATOM 2064 CA LYS 86 -15.715 15.973 -15.634 64 ALA ATOM 2065 CA ILE 87 -17.926 13.887 -13.335 65 VAL ATOM 2066 CA MET 88 -15.793 10.805 -13.991 66 ARG ATOM 2067 CA LYS 89 -12.748 13.014 -13.430 67 ALA ATOM 2068 CA ASN 90 -14.179 14.197 -10.109 68 LYS ATOM 2069 CA GLU 91 -15.060 10.564 -9.378 69 GLU ATOM 2070 CA TRP 92 -11.452 9.593 -10.096 70 LYS ATOM 2071 CA GLN 93 -10.045 12.169 -7.672 71 LYS ATOM 2072 CA THR 94 -12.609 11.007 -5.123 72 GLY ATOM 2073 CA ILE 95 -11.321 7.468 -5.620 73 LEU ATOM 2074 CA ASN 96 -7.737 8.624 -5.040 74 ASP ATOM 2075 CA LEU 97 -8.940 10.149 -1.763 75 ILE ATOM 2076 CA ALA 98 -10.458 6.776 -0.835 76 LEU ATOM 2077 CA ALA 99 -7.123 5.023 -1.360 77 ASN ATOM 2078 CA ARG 100 -5.218 7.642 0.643 78 MET ATOM 2079 CA ILE 101 -7.453 7.417 3.720 79 VAL ATOM 2080 CA GLU 102 -6.963 3.649 3.569 80 GLY ATOM 2081 CA GLU 103 -3.178 3.993 3.629 81 GLU ATOM 2082 CA ILE 104 -3.451 6.428 6.549 82 ILE ATOM 2083 CA ASN 105 -5.541 3.897 8.480 83 LYS ATOM 2084 CA GLY 106 -2.958 1.234 7.657 84 GLY ATOM 2085 CA LEU 107 -0.077 3.463 8.739 85 THR ATOM 2086 CA ILE 108 -1.865 4.217 12.023 86 LEU ATOM 2087 CA LEU 109 -2.432 0.521 12.778 87 GLU ATOM 2088 CA ASN 110 1.316 -0.120 13.165 88 ARG TER