2 117 (N_temp, Lch) 96 26.770 1 4o2dA2 ATOM 1001 CA MET 1 105.936 50.780 38.491 19 VAL ATOM 1002 CA PHE 2 103.135 51.453 35.945 20 PHE ATOM 1003 CA SER 3 105.526 52.728 33.270 21 GLN ATOM 1004 CA GLU 4 105.601 49.450 31.435 22 ALA ATOM 1005 CA PRO 5 104.575 47.569 28.325 23 PRO ATOM 1006 CA ILE 6 101.608 46.255 30.264 24 TYR ATOM 1007 CA GLY 15 99.506 47.066 33.222 25 VAL ATOM 1008 CA ILE 16 96.458 45.143 34.241 26 GLY ATOM 1009 CA ALA 17 94.145 44.772 37.163 27 ALA ATOM 1010 CA ILE 18 91.890 42.358 38.899 28 VAL ATOM 1011 CA VAL 19 89.227 43.242 41.403 29 VAL ATOM 1012 CA VAL 20 88.681 41.348 44.688 30 MET ATOM 1013 CA LYS 21 85.089 41.768 45.893 31 PRO ATOM 1014 CA ASN 22 85.021 43.102 49.451 32 GLY ATOM 1015 CA PRO 23 88.818 43.119 49.784 33 GLY ATOM 1016 CA PRO 24 89.325 46.637 51.156 34 ALA ATOM 1017 CA GLU 25 88.570 45.119 54.603 35 SER ATOM 1018 CA PHE 26 91.682 42.805 54.367 36 GLN ATOM 1019 CA LYS 27 94.207 43.117 57.252 37 PRO ATOM 1020 CA SER 28 97.801 44.315 56.559 38 ARG ATOM 1021 CA ILE 29 99.033 40.808 57.422 39 ARG ATOM 1022 CA GLU 30 100.448 37.559 52.230 43 GLY ATOM 1023 CA LEU 31 99.485 38.604 48.653 44 TRP ATOM 1024 CA ARG 32 103.095 39.659 48.094 45 GLN ATOM 1025 CA ASP 33 104.310 36.264 49.276 46 GLU ATOM 1026 CA GLU 34 101.786 34.695 46.873 47 PHE ATOM 1027 CA ALA 35 103.373 36.458 43.861 48 ALA ATOM 1028 CA ILE 36 107.000 35.833 44.951 49 LYS ATOM 1029 CA LYS 37 106.240 32.089 45.365 50 GLN ATOM 1030 CA PHE 38 105.471 32.292 41.570 51 ARG ATOM 1031 CA ASP 39 108.586 34.374 40.626 52 GLY ATOM 1032 CA ALA 40 107.027 37.844 40.194 53 HIS ATOM 1033 CA LYS 41 108.015 41.204 41.763 54 LYS ATOM 1034 CA GLY 42 104.653 41.448 43.513 55 GLY ATOM 1035 CA ALA 43 101.137 42.795 43.304 56 LEU ATOM 1036 CA MET 44 100.525 46.473 43.728 57 ALA ATOM 1037 CA ILE 45 97.075 47.317 45.164 58 TYR ATOM 1038 CA LEU 46 94.493 50.044 45.742 59 VAL ATOM 1039 CA THR 47 91.989 49.778 48.576 60 LEU ATOM 1040 CA VAL 48 88.584 51.242 47.755 61 VAL ATOM 1041 CA LYS 49 86.718 52.755 50.715 62 GLY ATOM 1042 CA ASP 50 82.953 52.831 51.347 63 GLU ATOM 1043 CA ASN 51 84.948 55.673 47.096 65 GLY ATOM 1044 CA GLU 52 88.203 57.153 48.488 66 THR ATOM 1045 CA ILE 53 91.318 55.344 47.486 67 LEU ATOM 1046 CA PHE 59 93.963 53.946 49.817 68 GLY ATOM 1047 CA ARG 60 96.680 51.310 49.686 69 GLY ATOM 1048 CA PRO 61 100.280 52.299 48.747 70 PRO ATOM 1049 CA LEU 62 99.424 52.952 45.111 71 VAL ATOM 1050 CA LYS 63 96.859 55.742 45.771 72 ALA ATOM 1051 CA GLU 64 99.420 58.448 46.567 73 LYS ATOM 1052 CA MET 65 101.303 57.776 43.326 74 ASN ATOM 1053 CA TYR 66 92.379 58.534 40.848 80 ARG ATOM 1054 CA PRO 67 89.127 59.957 39.554 81 ASP ATOM 1055 CA GLU 68 88.427 57.476 36.779 82 GLY ATOM 1056 CA VAL 69 89.943 54.332 38.310 83 LEU ATOM 1057 CA ALA 70 87.055 52.584 39.994 84 VAL ATOM 1058 CA LYS 71 84.925 53.161 36.905 85 ALA ATOM 1059 CA LYS 72 87.721 51.895 34.681 86 HIS ATOM 1060 CA ILE 73 88.345 48.617 36.501 87 VAL ATOM 1061 CA VAL 74 84.682 48.016 37.369 88 GLY ATOM 1062 CA TYR 76 85.335 48.168 41.107 89 ALA ATOM 1063 CA GLU 77 82.929 48.885 43.952 90 ASN ATOM 1064 CA ASP 78 83.179 50.624 47.275 91 PRO ATOM 1065 CA GLY 79 84.701 48.076 49.657 92 GLY ATOM 1066 CA ASP 80 86.822 46.342 47.026 93 ASP ATOM 1067 CA ALA 81 90.562 45.745 46.505 94 CYS ATOM 1068 CA VAL 82 92.196 46.341 43.165 95 ILE ATOM 1069 CA ILE 83 95.314 44.321 42.393 96 PHE ATOM 1070 CA ILE 84 97.648 45.340 39.636 97 PHE ATOM 1071 CA THR 85 100.474 43.657 37.837 98 ALA ATOM 1072 CA ALA 87 102.873 45.465 35.622 99 ALA ATOM 1073 CA GLU 88 105.668 44.349 33.367 100 GLY ATOM 1074 CA THR 89 105.976 42.441 30.146 101 PRO ATOM 1075 CA PRO 90 102.519 41.502 28.978 102 ALA ATOM 1076 CA ALA 91 103.071 37.622 29.109 103 LYS ATOM 1077 CA LYS 92 104.304 37.500 32.763 104 GLY ATOM 1078 CA ALA 93 101.932 40.100 34.115 105 ALA ATOM 1079 CA LEU 94 98.971 38.281 32.630 106 ARG ATOM 1080 CA LYS 95 100.015 34.907 34.086 107 ALA ATOM 1081 CA SER 96 100.342 36.473 37.484 108 LEU ATOM 1082 CA ALA 97 96.894 38.124 37.174 109 LEU ATOM 1083 CA ILE 98 95.644 34.763 35.840 110 GLY ATOM 1084 CA HIS 99 96.940 33.038 38.971 111 ALA ATOM 1085 CA VAL 100 95.726 35.838 41.252 112 THR ATOM 1086 CA ALA 101 92.226 35.613 39.915 113 ARG ATOM 1087 CA TYR 102 92.173 31.876 40.781 114 ILE ATOM 1088 CA ILE 103 93.421 32.500 44.358 115 GLU ATOM 1089 CA LEU 104 90.725 35.195 44.802 116 ILE ATOM 1090 CA LYS 105 88.080 32.623 43.724 117 ALA ATOM 1091 CA LYS 106 89.378 30.107 46.303 118 LYS ATOM 1092 CA GLU 107 89.516 32.510 49.225 119 ARG ATOM 1093 CA GLU 108 83.400 31.392 44.384 122 LEU ATOM 1094 CA ILE 109 83.870 27.953 42.732 123 ILE ATOM 1095 CA THR 110 80.815 25.697 42.815 124 ASP ATOM 1096 CA PRO 111 82.321 22.168 43.314 125 PRO TER 103 44.000 2 1eqrA2 ATOM 2001 CA PRO 5 13.729 12.631 47.322 11 GLU ATOM 2002 CA ILE 6 15.640 10.169 45.151 12 PHE ATOM 2003 CA GLY 7 18.433 12.113 43.360 13 ALA ATOM 2004 CA VAL 8 18.746 9.635 40.464 14 VAL ATOM 2005 CA SER 9 13.412 15.062 35.936 19 ALA ATOM 2006 CA VAL 10 13.999 18.697 36.873 20 ASN ATOM 2007 CA ASP 11 16.686 19.072 34.222 21 ASP ATOM 2008 CA GLY 12 15.291 20.806 31.117 22 PRO ATOM 2009 CA TYR 13 16.727 15.422 30.807 24 GLY ATOM 2010 CA PRO 14 14.147 12.663 30.735 25 ARG ATOM 2011 CA GLY 15 13.468 9.522 32.750 26 VAL ATOM 2012 CA ILE 16 12.433 6.810 30.283 27 ALA ATOM 2013 CA ALA 17 10.748 3.612 31.437 28 ALA ATOM 2014 CA ILE 18 11.077 0.427 29.364 29 LEU ATOM 2015 CA VAL 19 8.391 -2.185 30.005 30 ARG ATOM 2016 CA VAL 20 9.931 -5.539 29.066 31 VAL ATOM 2017 CA LYS 21 7.288 -8.354 28.997 32 PRO ATOM 2018 CA ASN 22 8.034 -11.399 31.161 33 GLY ATOM 2019 CA PRO 23 10.915 -9.348 32.473 34 GLY ATOM 2020 CA PRO 24 10.276 -10.026 36.154 35 ALA ATOM 2021 CA GLU 25 11.883 -13.416 35.508 36 SER ATOM 2022 CA PHE 26 23.493 -11.397 37.037 40 LYS ATOM 2023 CA LYS 27 21.054 -10.623 34.211 41 GLN ATOM 2024 CA SER 28 19.812 -7.298 35.546 42 ILE ATOM 2025 CA ILE 29 23.440 -6.295 36.105 43 ASP ATOM 2026 CA GLU 30 24.689 -6.924 32.580 44 GLU ATOM 2027 CA LEU 31 21.921 -4.566 31.437 45 TYR ATOM 2028 CA ARG 32 22.876 -2.148 34.169 46 GLY ATOM 2029 CA ASP 33 26.448 -2.214 32.891 47 ASN ATOM 2030 CA GLU 34 25.270 -2.250 29.286 48 PHE ATOM 2031 CA ALA 35 23.633 1.151 29.510 49 VAL ATOM 2032 CA ILE 36 26.872 2.420 31.096 50 LYS ATOM 2033 CA LYS 37 28.536 1.901 27.728 51 ILE ATOM 2034 CA PHE 38 26.296 4.637 26.354 52 TYR ATOM 2035 CA ASP 39 27.339 6.871 29.230 53 GLY ATOM 2036 CA ALA 40 24.352 6.168 31.457 54 ALA ATOM 2037 CA LYS 41 24.472 5.693 35.224 55 LYS ATOM 2038 CA GLY 42 22.661 2.557 36.362 56 GLY ATOM 2039 CA ALA 43 19.262 1.094 35.582 57 LEU ATOM 2040 CA MET 44 16.551 1.269 38.252 58 ALA ATOM 2041 CA ILE 45 13.711 -1.233 37.976 59 TYR ATOM 2042 CA LEU 46 10.342 -2.534 39.164 60 ILE ATOM 2043 CA THR 47 9.110 -6.123 39.123 61 LYS ATOM 2044 CA VAL 48 5.366 -6.109 38.642 62 VAL ATOM 2045 CA LYS 49 4.217 -9.445 40.065 63 ASN ATOM 2046 CA ASP 50 0.636 -8.368 40.764 64 GLU ATOM 2047 CA ASN 51 -0.977 -4.934 40.424 65 ARG ATOM 2048 CA GLU 52 2.317 -6.433 44.138 71 GLY ATOM 2049 CA ILE 53 5.620 -4.851 43.079 72 ILE ATOM 2050 CA VAL 54 9.214 -5.480 44.240 73 ASN ATOM 2051 CA PHE 55 11.886 -2.806 43.861 74 SER ATOM 2052 CA PRO 56 15.221 -1.272 44.956 75 PRO ATOM 2053 CA GLU 57 13.422 2.081 44.598 76 VAL ATOM 2054 CA ASP 58 9.865 1.418 45.852 77 ALA ATOM 2055 CA PHE 59 10.674 3.198 49.122 78 LYS ATOM 2056 CA ARG 60 11.592 6.331 47.176 79 PHE ATOM 2057 CA PRO 61 8.392 6.554 45.168 80 LEU ATOM 2058 CA LEU 62 5.005 5.842 46.799 81 ASN ATOM 2059 CA LYS 63 1.558 4.285 46.345 82 ALA ATOM 2060 CA GLU 64 0.364 7.033 43.946 83 GLU ATOM 2061 CA MET 65 3.469 7.548 41.793 84 ILE ATOM 2062 CA TYR 66 3.888 3.797 41.256 85 ILE ATOM 2063 CA PRO 67 0.296 3.366 40.153 86 GLU ATOM 2064 CA GLU 68 0.690 6.084 37.524 87 ASP ATOM 2065 CA VAL 69 3.970 4.606 36.347 88 ILE ATOM 2066 CA ALA 70 2.298 1.252 35.866 89 LEU ATOM 2067 CA LYS 71 -0.811 2.648 34.223 90 ASP ATOM 2068 CA LYS 72 1.296 4.891 31.983 91 ARG ATOM 2069 CA ILE 73 3.355 1.829 31.017 92 THR ATOM 2070 CA VAL 74 0.321 -0.451 31.022 93 ALA ATOM 2071 CA TYR 76 2.533 -2.900 32.923 94 ALA ATOM 2072 CA GLU 77 1.456 -6.542 32.995 95 GLN ATOM 2073 CA ASP 78 1.798 -8.963 35.875 96 ASP ATOM 2074 CA GLY 79 5.153 -10.642 35.283 97 GLY ATOM 2075 CA ASP 80 6.605 -7.529 33.648 98 ASP ATOM 2076 CA ALA 81 9.887 -5.773 34.372 99 MET ATOM 2077 CA VAL 82 10.329 -2.011 34.155 100 ILE ATOM 2078 CA ILE 83 13.760 -0.555 33.704 101 PHE ATOM 2079 CA ILE 84 14.368 3.184 34.042 102 PHE ATOM 2080 CA THR 85 16.977 5.307 32.372 103 GLY ATOM 2081 CA TRP 86 17.327 8.706 33.982 104 ALA ATOM 2082 CA ALA 87 19.873 11.173 32.684 105 ASP ATOM 2083 CA GLU 88 20.549 13.594 29.891 106 ASN ATOM 2084 CA THR 89 18.026 13.361 27.028 107 LYS ATOM 2085 CA PRO 90 20.728 12.227 24.610 108 LYS ATOM 2086 CA LYS 92 22.235 9.637 27.016 109 ILE ATOM 2087 CA LEU 94 18.794 8.181 27.783 110 VAL ATOM 2088 CA LYS 95 17.759 7.966 24.127 111 ALA ATOM 2089 CA SER 96 21.213 6.578 23.343 112 ASP ATOM 2090 CA ALA 97 21.336 3.985 26.127 113 ALA ATOM 2091 CA ILE 98 17.643 3.182 26.523 114 MET ATOM 2092 CA HIS 99 17.118 2.748 22.806 115 GLY ATOM 2093 CA VAL 100 20.124 0.397 22.881 116 ALA ATOM 2094 CA LYS 105 18.958 -1.571 25.937 117 LEU ATOM 2095 CA LYS 106 15.589 -1.620 24.210 118 ARG ATOM 2096 CA GLU 107 17.093 -3.437 21.223 119 LEU ATOM 2097 CA GLU 108 19.370 -5.722 23.229 120 LYS ATOM 2098 CA ILE 109 16.544 -6.827 25.575 121 VAL ATOM 2099 CA THR 110 14.655 -7.528 22.367 122 GLY ATOM 2100 CA PRO 111 16.995 -10.227 21.101 123 LYS ATOM 2101 CA GLU 112 17.710 -11.689 24.544 124 ASP ATOM 2102 CA ILE 113 14.110 -12.175 25.627 125 LEU ATOM 2103 CA LEU 114 13.298 -13.222 22.057 126 GLY TER