2 136 (N_temp, Lch) 123 36.370 1 3crfB ATOM 1001 CA VAL 1 100.619 100.830 104.564 18 SER ATOM 1002 CA GLU 2 99.949 100.794 101.547 19 SER ATOM 1003 CA PRO 3 102.948 99.180 99.645 20 PRO ATOM 1004 CA ALA 4 102.040 95.795 98.027 21 GLN ATOM 1005 CA ARG 5 102.021 94.861 94.278 22 ASP ATOM 1006 CA ILE 6 102.194 95.787 90.532 23 LEU ATOM 1007 CA THR 7 101.433 94.641 86.935 24 THR ATOM 1008 CA LEU 8 103.846 95.076 83.959 25 VAL ATOM 1009 CA THR 9 103.818 95.189 80.110 26 SER ATOM 1010 CA TYR 10 106.552 95.678 77.522 27 LEU ATOM 1011 CA LYS 11 105.453 96.560 73.975 28 ILE ATOM 1012 CA GLU 12 107.814 96.464 70.942 29 PRO ATOM 1013 CA GLY 13 107.500 99.434 68.604 30 VAL ATOM 1014 CA ALA 14 106.099 98.676 65.155 31 SER ATOM 1015 CA PRO 15 107.764 99.565 61.857 32 GLY ATOM 1016 CA ILE 16 111.422 99.615 62.916 33 LEU ATOM 1017 CA THR 17 113.714 99.627 59.897 34 LYS ATOM 1018 CA ILE 18 117.322 98.466 59.523 35 ALA ATOM 1019 CA GLY 22 119.989 100.996 58.562 36 GLY ATOM 1020 CA ASN 23 120.720 104.438 59.973 37 LYS ATOM 1021 CA ILE 24 118.196 105.236 62.688 38 ASN ATOM 1022 CA ASP 25 117.181 108.567 64.227 39 ALA ATOM 1023 CA THR 26 118.952 109.483 67.490 40 PRO ATOM 1024 CA GLU 27 116.911 108.139 70.443 41 SER ATOM 1025 CA LEU 28 114.592 106.167 68.135 42 ALA ATOM 1026 CA LEU 29 111.878 104.551 70.270 43 LYS ATOM 1027 CA VAL 30 111.949 100.737 70.270 44 ILE ATOM 1028 CA GLY 31 109.681 99.646 73.139 45 ALA ATOM 1029 CA THR 32 107.123 101.002 75.570 46 LYS ATOM 1030 CA LEU 33 107.182 99.927 79.205 47 LEU ATOM 1031 CA THR 34 103.907 100.055 81.178 48 VAL ATOM 1032 CA LEU 35 103.863 99.405 84.966 49 VAL ATOM 1033 CA GLY 36 100.450 99.521 86.792 50 ASN ATOM 1034 CA GLY 37 99.252 99.502 90.434 51 SER ATOM 1035 CA TYR 38 97.025 100.907 93.228 52 THR ATOM 1036 CA LYS 39 98.778 99.649 96.424 53 THR ATOM 1037 CA THR 40 102.246 100.854 95.203 54 LEU ATOM 1038 CA GLY 41 103.808 104.069 93.772 55 LYS ATOM 1039 CA THR 42 107.621 104.150 93.276 56 GLU ATOM 1040 CA THR 43 112.199 100.559 90.216 58 GLY ATOM 1041 CA SER 44 113.523 99.345 86.794 59 VAL ATOM 1042 CA THR 45 116.842 97.991 85.461 60 ARG ATOM 1043 CA SER 46 117.874 96.533 82.121 61 GLY ATOM 1044 CA ASN 48 119.250 92.979 82.264 62 ILE ATOM 1045 CA PHE 49 121.782 91.817 79.661 63 SER ATOM 1046 CA THR 50 125.339 90.570 79.139 64 ASN ATOM 1047 CA ASP 51 126.614 94.156 78.998 65 ASN ATOM 1048 CA ALA 52 125.036 96.768 81.262 66 VAL ATOM 1049 CA ALA 53 126.829 100.075 80.775 67 VAL ATOM 1050 CA GLY 54 125.894 102.415 83.618 68 ASP ATOM 1051 CA ASP 55 121.805 102.429 87.493 70 THR ATOM 1052 CA PRO 56 121.316 99.797 84.778 71 GLY ATOM 1053 CA MET 57 119.237 102.258 82.711 72 THR ATOM 1054 CA TYR 58 121.464 101.841 79.632 73 ALA ATOM 1055 CA LEU 59 122.781 98.535 78.308 74 TRP ATOM 1056 CA THR 60 123.710 96.695 75.116 75 ARG ATOM 1057 CA PHE 61 121.877 93.798 73.456 76 VAL ATOM 1058 CA THR 62 122.887 91.314 70.722 77 ALA ATOM 1059 CA SER 63 120.901 90.337 67.627 78 GLY ATOM 1060 CA GLN 64 119.663 86.743 67.512 79 LYS ATOM 1061 CA ASP 65 120.698 86.020 63.917 80 ASN ATOM 1062 CA GLY 66 123.795 88.191 63.502 81 THR ATOM 1063 CA ASN 67 125.192 88.680 67.035 82 GLY ATOM 1064 CA ASN 68 125.600 92.417 66.304 83 LYS ATOM 1065 CA HIS 69 125.240 94.722 69.326 84 GLU ATOM 1066 CA GLN 70 123.051 97.824 69.707 85 ILE ATOM 1067 CA PHE 71 122.877 100.329 72.598 86 GLY ATOM 1068 CA THR 73 119.495 100.589 74.317 87 VAL ATOM 1069 CA LYS 74 118.129 102.296 77.432 88 GLY ATOM 1070 CA VAL 75 115.505 104.568 78.959 89 LEU ATOM 1071 CA ILE 76 114.948 107.741 76.917 90 SER ATOM 1072 CA GLY 77 116.289 111.047 78.280 91 SER ATOM 1073 CA LYS 78 112.675 112.254 78.762 92 ASP ATOM 1074 CA ASP 79 111.849 109.047 80.656 93 SER ATOM 1075 CA SER 80 114.953 109.425 82.842 94 LEU ATOM 1076 CA ARG 81 113.890 112.958 83.733 95 ARG ATOM 1077 CA ASP 82 110.487 111.631 84.964 96 ARG ATOM 1078 CA PHE 83 111.977 109.484 87.787 97 SER ATOM 1079 CA ASP 84 110.601 109.776 91.337 98 ASP ATOM 1080 CA ILE 85 114.003 108.782 92.863 99 SER ATOM 1081 CA SER 86 117.478 107.121 92.552 100 THR ATOM 1082 CA PRO 87 117.384 104.384 95.219 101 GLU ATOM 1083 CA LYS 88 120.125 102.094 96.653 102 LYS ATOM 1084 CA VAL 89 118.626 98.651 97.454 103 TRP ATOM 1085 CA ASN 90 120.970 97.796 100.372 104 ASN ATOM 1086 CA GLY 91 123.582 99.485 98.123 105 GLY ATOM 1087 CA GLU 92 122.424 98.367 94.615 106 VAL ATOM 1088 CA ASN 93 121.301 101.459 92.592 107 ASN ATOM 1089 CA LEU 94 117.826 101.689 90.918 108 TRP ATOM 1090 CA VAL 99 115.989 104.668 89.283 109 MET ATOM 1091 CA VAL 100 112.311 104.845 90.424 110 THR ATOM 1092 CA LEU 101 109.026 105.754 88.675 111 PHE ATOM 1093 CA ALA 102 105.263 106.271 89.473 112 ASN ATOM 1094 CA THR 103 103.338 102.963 89.046 113 SER ATOM 1095 CA GLY 104 100.845 103.630 86.180 114 ASN ATOM 1096 CA GLN 106 103.312 105.679 84.091 115 ASP ATOM 1097 CA ASP 107 104.596 104.489 80.692 116 THR ATOM 1098 CA PHE 108 108.323 104.836 79.872 117 LEU ATOM 1099 CA PHE 109 110.206 104.696 76.551 118 ASP ATOM 1100 CA VAL 110 113.093 102.391 75.690 119 ILE ATOM 1101 CA ARG 111 115.214 103.875 72.891 120 VAL ATOM 1102 CA SER 112 118.375 103.413 70.845 121 LEU ATOM 1103 CA ILE 113 120.866 105.289 73.034 122 THR ATOM 1104 CA GLY 114 123.601 107.757 72.075 123 GLY ATOM 1105 CA SER 115 122.382 107.699 65.506 125 ALA ATOM 1106 CA LYS 116 122.944 103.940 65.224 126 GLN ATOM 1107 CA LYS 119 123.186 101.889 62.064 127 ASN ATOM 1108 CA LEU 120 121.175 98.785 62.906 128 VAL ATOM 1109 CA ALA 121 121.485 95.488 61.047 129 THR ATOM 1110 CA ALA 122 118.159 93.766 60.307 130 ALA ATOM 1111 CA GLY 123 117.685 91.273 63.132 131 ASP ATOM 1112 CA LYS 124 115.614 90.436 66.211 132 THR ATOM 1113 CA TYR 125 117.039 91.910 69.412 133 TYR ATOM 1114 CA THR 126 115.805 90.626 72.770 134 PRO ATOM 1115 CA ASP 127 115.360 93.066 75.655 135 ILE ATOM 1116 CA ALA 128 114.903 92.064 79.298 136 THR ATOM 1117 CA VAL 129 113.952 94.389 82.189 137 LEU ATOM 1118 CA THR 130 113.592 93.754 85.939 138 ASP ATOM 1119 CA VAL 131 110.854 95.877 87.628 139 VAL ATOM 1120 CA THR 132 110.305 96.285 91.424 140 VAL ATOM 1121 CA VAL 133 108.176 98.025 94.102 141 GLY ATOM 1122 CA SER 134 110.150 100.722 95.993 142 TYR ATOM 1123 CA ASN 135 108.704 102.072 99.291 143 GLN TER 115 35.630 2 2wmpB ATOM 2001 CA GLU 2 14.627 21.889 28.721 2 GLY ATOM 2002 CA PRO 3 14.512 25.236 26.962 3 GLY ATOM 2003 CA ALA 4 12.809 28.619 27.025 4 CYS ATOM 2004 CA ARG 5 9.774 28.917 29.309 5 ARG ATOM 2005 CA ILE 6 6.669 30.892 28.307 6 PRO ATOM 2006 CA LYS 11 4.558 32.456 31.058 7 SER ATOM 2007 CA GLY 13 1.855 30.083 32.299 8 ALA ATOM 2008 CA ALA 14 -1.016 32.575 32.426 9 GLN ATOM 2009 CA PRO 15 -4.046 31.808 30.283 10 SER ATOM 2010 CA ILE 16 -4.006 33.594 26.927 11 LEU ATOM 2011 CA ILE 18 -7.352 35.324 26.536 12 GLU ATOM 2012 CA MET 19 -7.748 38.415 24.380 13 ILE ATOM 2013 CA ASP 20 -10.609 40.319 26.034 14 LYS ATOM 2014 CA ASN 21 -12.667 42.672 23.879 15 HIS ATOM 2015 CA GLY 22 -15.176 43.220 26.672 16 GLY ATOM 2016 CA ASN 23 -18.483 45.031 26.205 17 ASP ATOM 2017 CA ILE 24 -19.315 45.396 22.531 18 LEU ATOM 2018 CA ASP 25 -22.311 46.954 20.808 19 SER ATOM 2019 CA THR 26 -23.709 45.494 17.587 20 ILE ATOM 2020 CA GLU 27 -23.235 48.976 16.151 21 ASN ATOM 2021 CA LEU 28 -19.704 49.660 17.330 22 SER ATOM 2022 CA LEU 29 -18.173 46.195 17.517 23 ALA ATOM 2023 CA VAL 30 -16.253 45.787 14.265 24 ASN ATOM 2024 CA GLY 31 -12.697 47.126 13.974 25 ASN ATOM 2025 CA GLY 41 -12.297 46.867 17.746 26 HIS ATOM 2026 CA THR 42 -8.828 45.942 18.984 27 TYR ATOM 2027 CA THR 43 -7.429 44.080 21.969 28 ALA ATOM 2028 CA SER 44 -4.066 42.518 22.701 29 ALA ATOM 2029 CA THR 45 -2.412 40.010 24.999 30 GLN ATOM 2030 CA SER 46 1.261 39.696 25.927 31 THR ATOM 2031 CA VAL 47 3.008 36.344 26.323 32 LEU ATOM 2032 CA ASN 48 6.375 36.392 28.114 33 SER ATOM 2033 CA PHE 49 9.149 33.949 27.291 34 VAL ATOM 2034 CA THR 50 12.207 33.370 29.443 35 SER ATOM 2035 CA ASP 51 15.243 31.573 27.965 36 CYS ATOM 2036 CA ALA 52 18.359 30.582 29.929 37 ASP ATOM 2037 CA ALA 53 20.504 30.574 26.803 38 VAL ATOM 2038 CA GLY 54 20.564 32.517 23.557 39 PRO ATOM 2039 CA ASP 55 17.700 31.104 21.508 40 ALA ATOM 2040 CA PRO 56 15.560 31.244 18.421 41 ASN ATOM 2041 CA MET 57 11.839 30.503 18.246 42 ILE ATOM 2042 CA TYR 58 9.483 30.507 15.291 43 ARG ATOM 2043 CA LEU 59 5.868 31.314 16.172 44 PHE ATOM 2044 CA THR 60 3.029 30.196 13.896 45 MET ATOM 2045 CA PHE 61 -0.689 30.830 14.228 46 LEU ATOM 2046 CA THR 62 -3.067 28.003 13.299 47 LEU ATOM 2047 CA SER 63 -6.839 28.322 13.091 48 ARG ATOM 2048 CA GLN 64 -9.335 26.245 15.065 49 ASN ATOM 2049 CA ASP 65 -12.552 28.199 14.489 50 THR ATOM 2050 CA GLY 66 -13.168 28.672 10.749 51 THR ATOM 2051 CA ASN 67 -13.396 32.265 9.416 52 PRO ATOM 2052 CA ASN 68 -16.849 33.466 8.394 53 THR ATOM 2053 CA HIS 69 -4.199 37.862 6.682 59 LYS ATOM 2054 CA GLN 70 -4.675 35.232 9.365 60 PHE ATOM 2055 CA PHE 71 -8.131 35.003 10.943 61 SER ATOM 2056 CA THR 72 -10.528 32.974 13.065 62 VAL ATOM 2057 CA THR 73 -14.267 32.855 13.706 63 GLY ATOM 2058 CA LYS 74 -15.806 34.520 16.750 64 LEU ATOM 2059 CA SER 80 -19.343 33.384 15.961 65 GLY ATOM 2060 CA ARG 81 -22.623 35.054 14.981 66 HIS ATOM 2061 CA ASP 82 -21.265 36.465 11.724 67 GLY ATOM 2062 CA PHE 83 -18.089 37.839 13.292 68 TRP ATOM 2063 CA ASP 84 -14.394 37.249 12.510 69 ASP ATOM 2064 CA ILE 85 -11.007 38.376 13.871 70 SER ATOM 2065 CA SER 86 -7.679 39.165 12.272 71 ILE ATOM 2066 CA PRO 87 -5.006 37.869 14.646 72 VAL ATOM 2067 CA LYS 88 -1.469 39.194 14.688 73 SER ATOM 2068 CA VAL 89 1.844 38.384 16.354 74 VAL ATOM 2069 CA ASN 90 4.321 41.154 17.154 75 ASN ATOM 2070 CA GLY 91 2.408 43.405 14.771 76 GLY ATOM 2071 CA GLU 92 2.316 40.943 11.873 77 VAL ATOM 2072 CA ASN 93 -0.975 39.907 10.258 78 ASP ATOM 2073 CA LEU 94 0.783 37.393 8.022 79 THR ATOM 2074 CA VAL 95 0.446 34.513 10.461 80 GLY ATOM 2075 CA GLY 96 7.066 35.643 13.257 82 THR ATOM 2076 CA ASP 97 10.404 34.665 14.806 83 THR ATOM 2077 CA ASP 98 11.959 35.940 18.044 84 MET ATOM 2078 CA VAL 99 15.660 35.700 18.836 85 ARG ATOM 2079 CA VAL 100 17.470 35.838 22.175 86 TRP ATOM 2080 CA LEU 101 21.039 37.055 21.663 87 TYR ATOM 2081 CA ALA 102 21.562 36.194 25.325 88 LYS ATOM 2082 CA THR 103 19.616 34.756 28.270 89 ALA ATOM 2083 CA GLY 104 16.614 36.744 29.431 90 GLY ATOM 2084 CA SER 105 12.933 37.484 28.921 91 THR ATOM 2085 CA GLN 106 11.427 38.624 25.637 92 GLN ATOM 2086 CA ASP 107 7.789 39.469 24.857 93 ASN ATOM 2087 CA PHE 108 5.430 38.304 22.128 94 LEU ATOM 2088 CA PHE 109 2.281 40.372 21.624 95 THR ATOM 2089 CA VAL 110 -0.949 38.973 20.157 96 ILE ATOM 2090 CA ARG 111 -3.372 41.402 18.529 97 GLY ATOM 2091 CA SER 112 -7.028 40.950 17.559 98 SER ATOM 2092 CA ILE 113 -9.008 43.192 15.169 99 ARG ATOM 2093 CA GLY 114 -12.697 42.468 14.540 100 LEU ATOM 2094 CA SER 115 -13.952 42.347 7.944 102 GLY ATOM 2095 CA LYS 116 -15.617 42.194 4.525 103 GLU ATOM 2096 CA GLY 117 -19.407 41.854 4.442 104 SER ATOM 2097 CA GLY 118 -20.393 42.284 8.095 105 SER ATOM 2098 CA LYS 119 -24.025 41.155 7.983 106 LYS ATOM 2099 CA LEU 120 -23.639 39.957 11.551 107 ILE ATOM 2100 CA ALA 121 -26.099 38.556 14.066 108 GLN ATOM 2101 CA ALA 122 -24.356 39.559 17.369 109 PRO ATOM 2102 CA GLY 123 -24.760 37.679 20.634 110 GLY ATOM 2103 CA LYS 124 -21.679 36.936 22.757 111 VAL ATOM 2104 CA TYR 125 -18.586 36.174 20.688 112 LEU ATOM 2105 CA THR 126 -16.306 33.187 21.260 113 SER ATOM 2106 CA ASP 127 -13.363 31.904 19.213 114 GLY ATOM 2107 CA ALA 128 -9.856 30.427 19.343 115 SER ATOM 2108 CA VAL 129 -6.517 29.899 17.595 116 ALA ATOM 2109 CA THR 130 -3.341 27.916 18.203 117 THR ATOM 2110 CA VAL 131 0.007 29.611 18.773 118 LEU ATOM 2111 CA THR 132 2.605 27.077 17.655 119 LEU ATOM 2112 CA VAL 133 6.251 27.301 18.665 120 MET ATOM 2113 CA SER 134 8.655 25.376 16.439 121 ILE ATOM 2114 CA ASN 135 12.004 24.849 18.139 122 LEU ATOM 2115 CA GLN 136 15.229 24.252 16.198 123 PRO TER