3 119 (N_temp, Lch) 86 22.280 1 2hzqA ATOM 1001 CA LYS 10 -15.437 23.279 52.153 13 GLU ATOM 1002 CA ALA 11 -17.225 23.494 55.508 14 ASN ATOM 1003 CA ARG 12 -13.964 24.554 57.151 15 PHE ATOM 1004 CA PRO 13 -14.047 24.106 60.944 16 ASP ATOM 1005 CA ALA 15 -11.460 26.387 62.548 17 VAL ATOM 1006 CA ASP 16 -11.972 24.590 65.900 18 ASN ATOM 1007 CA ALA 17 -10.398 21.413 64.525 19 LYS ATOM 1008 CA LEU 18 -7.393 23.236 62.987 20 TYR ATOM 1009 CA PRO 19 -5.283 24.232 66.066 21 PRO ATOM 1010 CA GLY 20 -2.309 22.418 67.520 22 GLY ATOM 1011 CA GLN 21 0.983 21.401 65.937 23 ARG ATOM 1012 CA TRP 22 1.553 21.041 62.184 24 TRP ATOM 1013 CA ALA 23 4.855 19.924 60.697 25 TYR ATOM 1014 CA PHE 24 6.025 21.291 57.341 26 GLU ATOM 1015 CA SER 25 6.331 18.428 54.830 27 ILE ATOM 1016 CA GLY 26 6.906 20.344 51.539 28 GLU ATOM 1017 CA HIS 27 6.800 23.996 50.494 29 LYS ATOM 1018 CA MET 28 7.512 26.459 47.749 30 ILE ATOM 1019 CA LEU 29 10.738 27.948 49.238 31 PRO ATOM 1020 CA ALA 30 10.466 31.564 50.400 32 THR ATOM 1021 CA LYS 31 14.237 31.940 50.690 33 THR ATOM 1022 CA GLY 32 15.586 25.327 58.298 37 GLY ATOM 1023 CA ASP 33 14.909 21.644 59.267 38 ARG ATOM 1024 CA ARG 35 12.327 20.014 61.608 39 CYS ATOM 1025 CA GLY 36 9.990 22.892 60.723 40 ILE ATOM 1026 CA VAL 37 6.804 23.017 62.805 41 GLN ATOM 1027 CA MET 38 4.138 25.564 63.663 42 ALA ATOM 1028 CA SER 39 1.840 25.609 66.672 43 ASN ATOM 1029 CA VAL 40 -1.550 27.232 66.250 44 TYR ATOM 1030 CA THR 41 -3.699 28.293 69.165 45 SER ATOM 1031 CA PRO 42 -7.258 29.572 68.633 46 LEU ATOM 1032 CA GLN 44 -11.723 34.405 71.606 47 GLU ATOM 1033 CA GLY 45 -12.248 36.401 68.660 48 ASN ATOM 1034 CA ASP 46 -11.295 33.704 66.156 49 GLY ATOM 1035 CA THR 47 -7.763 35.036 65.871 50 LYS ATOM 1036 CA PHE 48 -5.146 32.276 65.733 51 ILE ATOM 1037 CA LYS 49 -1.747 32.715 67.357 52 LYS ATOM 1038 CA VAL 50 1.056 31.021 65.394 53 VAL ATOM 1039 CA GLU 51 4.466 29.965 66.747 54 LEU ATOM 1040 CA VAL 52 6.817 28.763 63.964 55 ASN ATOM 1041 CA LYS 53 10.019 27.001 64.950 56 GLN ATOM 1042 CA GLY 54 12.873 25.381 63.063 57 GLU ATOM 1043 CA ALA 55 16.254 23.845 63.783 58 LEU ATOM 1044 CA TYR 56 19.324 25.052 61.932 59 ARG ATOM 1045 CA ALA 57 22.262 22.893 60.817 60 ALA ATOM 1046 CA ASP 58 24.162 23.817 64.000 61 ASP ATOM 1047 CA GLY 59 21.230 22.661 66.138 62 GLY ATOM 1048 CA THR 60 20.113 26.144 67.224 63 THR ATOM 1049 CA PRO 61 16.412 27.044 67.049 64 VAL ATOM 1050 CA PHE 62 14.916 29.917 65.079 65 ASN ATOM 1051 CA ASN 63 11.409 31.036 66.083 66 GLN ATOM 1052 CA GLY 64 8.853 33.527 64.813 67 ILE ATOM 1053 CA SER 65 5.464 34.454 66.342 68 GLU ATOM 1054 CA GLY 66 2.476 35.650 64.345 69 GLY ATOM 1055 CA SER 67 -1.266 35.895 64.203 70 GLU ATOM 1056 CA ALA 68 -3.834 34.728 61.641 71 ALA ATOM 1057 CA ILE 69 -7.110 36.679 61.317 72 THR ATOM 1058 CA LEU 70 -10.040 35.631 59.060 73 PRO ATOM 1059 CA TYR 71 -10.023 37.974 55.993 74 VAL ATOM 1060 CA ASN 72 -13.809 37.910 55.707 75 ASN ATOM 1061 CA GLY 73 -13.528 30.900 57.240 79 PRO ATOM 1062 CA TYR 74 -10.716 29.071 55.348 80 ALA ATOM 1063 CA GLU 75 -9.438 32.403 53.925 81 LYS ATOM 1064 CA TRP 76 -7.280 34.051 56.606 82 LEU ATOM 1065 CA ARG 77 -4.385 36.487 56.537 83 GLU ATOM 1066 CA GLY 78 -1.236 36.116 58.646 84 VAL ATOM 1067 CA ASN 79 1.092 38.743 60.117 85 LYS ATOM 1068 CA VAL 80 4.419 37.868 61.819 86 PHE ATOM 1069 CA LYS 81 6.093 41.293 62.202 87 SER ATOM 1070 CA VAL 82 4.795 44.813 62.851 88 TRP ATOM 1071 CA GLY 83 6.540 46.066 59.707 89 PHE ATOM 1072 CA ASP 84 1.814 43.725 55.633 90 PRO ATOM 1073 CA ALA 85 -0.393 40.647 56.124 91 SER ATOM 1074 CA ASN 86 -0.143 37.793 53.602 92 ALA ATOM 1075 CA LEU 87 -3.038 35.536 52.556 93 PRO ATOM 1076 CA ARG 88 -3.296 32.202 54.343 94 TYR ATOM 1077 CA GLN 89 -5.794 30.099 52.433 95 HIS ATOM 1078 CA VAL 90 -6.527 26.576 53.541 96 ILE ATOM 1079 CA PHE 91 -7.174 24.732 50.271 97 LEU ATOM 1080 CA ALA 92 -7.658 21.283 51.839 98 ALA ATOM 1081 CA ALA 93 -7.445 19.626 55.232 99 THR ATOM 1082 CA LEU 94 -8.776 16.609 57.047 100 ASP ATOM 1083 CA ASP 95 -7.758 18.201 60.407 101 TYR ATOM 1084 CA GLY 96 -6.089 14.968 61.636 102 GLU ATOM 1085 CA GLU 97 -3.486 14.213 58.993 103 ASN ATOM 1086 CA MET 98 -2.815 16.908 56.358 104 TYR TER 72 21.870 2 3ebwA ATOM 2001 CA PRO 13 37.465 13.019 89.071 12 GLY ATOM 2002 CA LYS 14 35.885 12.859 85.631 13 LEU ATOM 2003 CA ALA 15 38.118 10.960 83.210 14 ASP ATOM 2004 CA ASP 16 39.224 8.302 78.907 15 THR ATOM 2005 CA ALA 17 37.333 5.933 81.197 16 LYS ATOM 2006 CA LEU 18 34.161 7.057 79.422 17 TYR ATOM 2007 CA PRO 19 35.322 5.396 76.232 18 VAL ATOM 2008 CA GLY 20 32.840 2.994 74.692 19 GLY ATOM 2009 CA GLN 21 29.178 2.738 73.682 20 THR ATOM 2010 CA TRP 22 26.547 4.347 75.836 21 TRP ATOM 2011 CA ALA 23 22.885 3.670 75.077 22 TYR ATOM 2012 CA PHE 24 20.466 6.473 75.929 23 GLU ATOM 2013 CA SER 25 17.858 4.792 78.131 24 LEU ATOM 2014 CA GLY 26 15.941 7.772 79.515 25 PHE ATOM 2015 CA HIS 27 15.957 11.452 78.629 26 ARG ATOM 2016 CA MET 28 14.264 14.710 79.505 27 THR ATOM 2017 CA LEU 29 11.487 14.988 76.857 28 PRO ATOM 2018 CA ALA 30 12.269 17.725 74.309 29 ASN ATOM 2019 CA LYS 31 11.560 18.786 70.722 30 SER ATOM 2020 CA GLY 32 14.812 18.298 68.803 31 ASP ATOM 2021 CA ASP 33 14.766 9.285 67.623 35 PHE ATOM 2022 CA VAL 34 13.100 6.506 69.530 36 THR ATOM 2023 CA ARG 35 17.873 3.460 68.659 38 CYS ATOM 2024 CA GLY 36 19.979 6.148 70.286 39 GLU ATOM 2025 CA VAL 37 23.541 5.759 71.535 40 TYR ATOM 2026 CA MET 38 26.808 7.700 71.639 41 ASP ATOM 2027 CA SER 39 30.135 5.936 70.992 42 LYS ATOM 2028 CA VAL 40 33.397 7.218 72.456 43 TYR ATOM 2029 CA THR 41 36.650 6.227 70.820 44 THR ATOM 2030 CA PRO 42 40.203 7.175 71.758 45 LEU ATOM 2031 CA ASP 43 42.411 7.767 68.688 46 ASP ATOM 2032 CA GLN 44 46.179 7.284 68.775 47 GLU ATOM 2033 CA GLY 45 46.922 11.004 68.540 48 ASN ATOM 2034 CA ASP 46 45.189 11.268 71.901 49 GLY ATOM 2035 CA THR 47 41.927 12.686 70.581 50 VAL ATOM 2036 CA PHE 48 38.743 11.318 72.093 51 ILE ATOM 2037 CA LYS 49 36.263 10.920 69.317 52 GLN ATOM 2038 CA VAL 50 32.519 10.758 69.728 53 VAL ATOM 2039 CA GLU 51 29.930 9.392 67.346 54 THR ATOM 2040 CA VAL 52 26.247 9.976 67.849 55 SER ATOM 2041 CA LYS 53 23.981 7.435 66.190 56 VAL ATOM 2042 CA GLY 54 20.187 7.813 66.135 57 ALA ATOM 2043 CA ALA 55 17.451 5.991 64.240 58 TYR ATOM 2044 CA TYR 56 14.970 8.619 63.021 59 THR ATOM 2045 CA ALA 57 11.470 7.356 62.330 60 ASN ATOM 2046 CA ASP 58 13.113 8.742 57.231 62 ILE ATOM 2047 CA GLY 59 13.500 5.096 58.322 63 ARG ATOM 2048 CA THR 60 17.229 5.748 58.309 64 GLY ATOM 2049 CA PRO 61 19.931 6.685 60.809 65 PHE ATOM 2050 CA PHE 62 21.386 10.110 61.629 66 ILE ATOM 2051 CA ASN 63 25.127 9.686 62.231 67 THR ATOM 2052 CA GLY 64 27.122 12.586 63.668 68 SER ATOM 2053 CA SER 65 30.663 12.799 64.994 69 THR ATOM 2054 CA GLY 66 32.608 15.144 67.202 70 GLY ATOM 2055 CA SER 67 35.708 15.207 69.355 71 THR ATOM 2056 CA ALA 68 35.798 16.025 73.063 72 VAL ATOM 2057 CA ILE 69 38.630 18.665 73.072 73 PRO ATOM 2058 CA LEU 70 38.638 19.267 76.811 74 SER ATOM 2059 CA ASN 72 37.113 18.367 80.124 75 TRP ATOM 2060 CA GLY 83 37.145 19.641 83.678 76 THR ATOM 2061 CA ASP 84 36.599 17.945 87.022 77 GLU ATOM 2062 CA ALA 85 32.943 17.237 86.130 78 ASP ATOM 2063 CA ASN 86 32.475 18.853 82.712 79 THR ATOM 2064 CA LEU 87 33.205 17.936 79.127 80 PHE ATOM 2065 CA ARG 88 33.045 19.805 75.858 81 ASP ATOM 2066 CA GLN 89 28.776 22.813 73.492 86 SER ATOM 2067 CA VAL 90 29.505 22.177 77.222 87 THR ATOM 2068 CA PHE 91 27.936 19.317 79.214 88 TYR ATOM 2069 CA ALA 92 27.105 11.084 87.789 91 GLY ATOM 2070 CA ALA 93 28.681 7.912 86.454 92 THR ATOM 2071 CA LEU 94 30.511 4.685 87.287 93 ASP ATOM 2072 CA ASP 95 31.940 4.482 83.776 94 TYR TER 90 21.640 3 1gkaB ATOM 3001 CA GLN 9 19.248 93.997 1.113 18 GLN ATOM 3002 CA LYS 10 18.890 97.731 0.879 19 ASP ATOM 3003 CA ALA 11 16.408 98.950 3.384 20 ASN ATOM 3004 CA ARG 12 15.749 96.072 5.635 21 PHE ATOM 3005 CA PRO 13 12.382 96.080 7.312 22 ASP ATOM 3006 CA ALA 15 12.259 93.603 10.102 23 LEU ATOM 3007 CA ASP 16 8.581 94.007 10.461 24 ARG ATOM 3008 CA ALA 17 7.811 93.170 6.920 25 ARG ATOM 3009 CA LEU 18 10.110 90.163 7.184 26 TYR ATOM 3010 CA PRO 19 8.015 88.456 9.866 27 ALA ATOM 3011 CA GLY 20 5.886 85.535 9.488 28 GLY ATOM 3012 CA GLN 21 6.183 82.015 8.107 29 ARG ATOM 3013 CA TRP 22 8.943 81.275 5.757 30 TRP ATOM 3014 CA ALA 23 9.622 77.746 4.353 31 TYR ATOM 3015 CA PHE 24 13.158 76.600 3.628 32 GLN ATOM 3016 CA SER 25 13.052 75.252 0.100 33 THR ATOM 3017 CA GLY 26 16.734 74.951 -0.901 34 HIS ATOM 3018 CA HIS 27 19.555 74.960 1.517 35 ILE ATOM 3019 CA MET 28 23.290 74.356 1.504 36 ILE ATOM 3020 CA LEU 29 23.388 71.297 3.815 37 GLU ATOM 3021 CA ALA 30 24.010 72.645 7.162 38 ASN ATOM 3022 CA LYS 31 25.171 70.510 10.103 39 ALA ATOM 3023 CA GLY 32 23.810 72.568 12.920 40 TYR ATOM 3024 CA ASP 33 15.965 68.118 6.903 44 THR ATOM 3025 CA VAL 34 12.541 68.008 5.383 45 ARG ATOM 3026 CA ARG 35 9.290 70.052 5.793 46 CYS ATOM 3027 CA GLY 36 11.562 72.642 7.236 47 ILE ATOM 3028 CA VAL 37 9.349 75.590 8.027 48 HIS ATOM 3029 CA MET 38 9.435 78.443 10.524 49 SER ATOM 3030 CA SER 39 7.993 81.501 12.057 50 ASN ATOM 3031 CA VAL 40 9.827 84.700 12.574 51 TYR ATOM 3032 CA THR 41 8.030 86.616 15.339 52 GLU ATOM 3033 CA PRO 42 8.909 90.268 15.388 53 TYR ATOM 3034 CA ASP 43 9.540 91.948 18.701 54 SER ATOM 3035 CA GLN 44 10.077 95.661 18.686 55 THR ATOM 3036 CA GLY 45 11.608 96.608 22.030 56 ASN ATOM 3037 CA ASP 46 14.156 94.047 21.090 57 ASP ATOM 3038 CA THR 47 14.855 91.411 16.471 59 GLY ATOM 3039 CA PHE 48 12.990 88.194 15.782 60 PHE ATOM 3040 CA LYS 49 12.140 85.283 18.142 61 LYS ATOM 3041 CA VAL 50 12.354 82.585 15.462 62 VAL ATOM 3042 CA GLU 51 10.958 79.066 15.837 63 THR ATOM 3043 CA VAL 52 11.806 76.398 13.253 64 THR ATOM 3044 CA LYS 53 10.398 72.907 12.851 65 ALA ATOM 3045 CA GLY 54 10.203 69.940 10.607 66 GLY ATOM 3046 CA ALA 55 11.388 66.408 10.363 67 PHE ATOM 3047 CA TYR 56 14.544 64.487 11.062 68 ASN ATOM 3048 CA ALA 57 16.333 62.565 8.291 69 PRO ATOM 3049 CA ASP 58 15.106 59.630 10.420 70 ASN ATOM 3050 CA GLY 59 11.494 60.543 11.212 71 ASP ATOM 3051 CA THR 60 11.055 62.510 14.431 72 GLU ATOM 3052 CA PRO 61 9.552 66.011 14.385 73 TYR ATOM 3053 CA PHE 62 11.939 68.504 15.939 74 LEU ATOM 3054 CA ASN 63 11.358 72.049 17.016 75 LYS ATOM 3055 CA GLY 64 14.274 74.527 17.405 76 ILE ATOM 3056 CA SER 65 13.894 77.737 19.191 77 ASP ATOM 3057 CA GLY 66 16.383 80.531 18.470 78 PHE ATOM 3058 CA SER 67 16.663 84.363 18.414 79 LYS ATOM 3059 CA ALA 68 17.906 86.325 15.330 80 VAL ATOM 3060 CA ILE 69 18.605 90.056 15.384 81 TYR ATOM 3061 CA LEU 70 20.233 93.030 13.737 82 PRO ATOM 3062 CA TYR 71 23.222 94.493 15.494 83 THR ATOM 3063 CA ASN 72 24.901 97.775 16.176 84 LYS ATOM 3064 CA GLY 73 20.014 95.587 9.442 88 ALA ATOM 3065 CA TYR 74 20.147 93.105 6.672 89 ALA ATOM 3066 CA GLU 75 23.205 91.602 8.290 90 HIS ATOM 3067 CA TRP 76 21.761 90.025 11.363 91 MET ATOM 3068 CA ARG 77 23.220 87.575 13.886 92 LEU ATOM 3069 CA GLY 78 21.840 84.124 14.847 93 ILE ATOM 3070 CA ASN 79 21.682 83.397 18.565 94 ASP ATOM 3071 CA VAL 80 20.563 79.710 18.809 95 ALA ATOM 3072 CA LYS 81 21.299 77.579 21.950 96 PRO ATOM 3073 CA VAL 82 23.925 74.980 20.858 97 SER ATOM 3074 CA GLY 83 25.113 76.649 17.520 98 VAL ATOM 3075 CA ASP 84 27.954 79.315 17.062 99 PHE ATOM 3076 CA ALA 85 26.865 82.934 16.955 100 ALA ATOM 3077 CA ASN 86 26.664 83.080 13.164 101 ALA ATOM 3078 CA LEU 87 25.708 85.693 10.722 102 PRO ATOM 3079 CA ARG 88 22.367 85.859 8.832 103 TYR ATOM 3080 CA GLN 89 23.006 88.113 5.799 104 GLU ATOM 3081 CA VAL 90 19.781 88.904 3.825 105 VAL ATOM 3082 CA PHE 91 21.190 89.257 0.365 106 ILE ATOM 3083 CA ALA 92 17.946 90.201 -1.249 107 GLU ATOM 3084 CA ALA 93 14.236 89.974 -0.368 108 THR ATOM 3085 CA LEU 94 10.846 90.956 -1.654 109 ASP ATOM 3086 CA ASP 95 9.327 90.140 1.674 110 TYR ATOM 3087 CA GLY 96 6.152 88.924 0.030 111 GLU ATOM 3088 CA GLU 97 7.728 86.107 -1.920 112 THR ATOM 3089 CA MET 98 11.381 84.963 -1.459 113 TYR ATOM 3090 CA LYS 99 14.347 85.724 0.827 114 SER TER