3 117 (N_temp, Lch) 99 89.770 1 3hefB ATOM 1001 CA LYS 9 63.725 40.059 25.064 1 PRO ATOM 1002 CA GLN 10 61.075 41.031 22.508 2 SER ATOM 1003 CA LYS 11 63.168 42.184 19.552 3 ASP ATOM 1004 CA LEU 12 64.475 39.413 17.293 4 TYR ATOM 1005 CA THR 13 68.011 38.528 18.361 5 MET ATOM 1006 CA ALA 14 69.862 36.014 16.122 6 PRO ATOM 1007 CA LYS 15 72.314 35.044 18.852 7 GLU ATOM 1008 CA GLN 16 69.501 34.096 21.245 8 VAL ATOM 1009 CA ILE 17 67.657 32.316 18.420 9 ALA ATOM 1010 CA GLN 18 70.829 30.347 17.692 10 ASP ATOM 1011 CA ALA 19 71.075 29.372 21.348 11 ASP ATOM 1012 CA ALA 20 67.433 28.231 21.273 12 ILE ATOM 1013 CA TYR 21 68.176 26.039 18.284 13 CYS ATOM 1014 CA LEU 22 71.178 24.473 20.033 14 SER ATOM 1015 CA LEU 23 69.217 23.723 23.189 15 LEU ATOM 1016 CA VAL 24 66.283 22.241 21.262 16 LEU ATOM 1017 CA GLU 31 68.725 20.173 19.191 17 SER ATOM 1018 CA GLU 32 69.976 18.611 22.410 18 SER ATOM 1019 CA LYS 33 66.454 17.470 23.298 19 GLY ATOM 1020 CA ARG 34 65.191 20.260 25.545 20 GLU ATOM 1021 CA THR 35 61.564 21.328 25.036 21 SER ATOM 1022 CA GLN 36 60.727 24.897 24.007 22 LEU ATOM 1023 CA ASP 37 58.805 25.842 27.160 23 LEU ATOM 1024 CA GLU 38 61.718 24.669 29.312 24 LYS ATOM 1025 CA MET 39 64.178 26.608 27.136 25 VAL ATOM 1026 CA ALA 40 62.097 29.776 27.439 26 CYS ATOM 1027 CA ASN 41 62.393 29.575 31.242 27 LYS ATOM 1028 CA GLU 42 66.191 29.986 31.075 28 ARG ATOM 1029 CA LEU 43 67.874 33.349 31.883 29 PRO ATOM 1030 CA GLY 44 67.552 35.983 29.168 30 GLY ATOM 1031 CA ILE 45 65.314 33.880 26.957 31 MET ATOM 1032 CA ASN 46 58.868 33.854 26.265 33 ASP ATOM 1033 CA ARG 47 57.248 31.220 24.028 34 LYS ATOM 1034 CA THR 48 54.823 33.668 22.397 35 SER ATOM 1035 CA THR 49 57.797 35.801 21.402 36 THR ATOM 1036 CA LEU 50 59.646 32.808 19.914 37 VAL ATOM 1037 CA TRP 51 56.627 31.951 17.771 38 PHE ATOM 1038 CA GLU 52 56.489 35.577 16.666 39 ARG ATOM 1039 CA TRP 53 60.183 35.461 15.717 40 TRP ATOM 1040 CA ARG 54 59.545 32.244 13.789 41 LEU ATOM 1041 CA THR 55 56.650 33.877 11.973 42 ALA ATOM 1042 CA LYS 56 58.740 36.782 10.678 43 LYS ATOM 1043 CA ASN 57 62.291 35.475 10.195 44 HIS ATOM 1044 CA GLN 58 62.858 32.786 7.577 45 GLU ATOM 1045 CA ASP 59 66.477 32.335 8.687 46 ASP ATOM 1046 CA PHE 60 65.277 31.298 12.142 47 PHE ATOM 1047 CA ILE 61 62.522 29.045 10.735 48 ARG ATOM 1048 CA ALA 62 65.034 27.111 8.636 49 ASP ATOM 1049 CA PHE 63 67.444 26.652 11.502 50 LYS ATOM 1050 CA LYS 64 64.559 25.739 13.861 51 TYR ATOM 1051 CA SER 65 63.361 23.038 11.446 52 ALA ATOM 1052 CA GLU 66 66.828 21.511 11.491 53 LYS ATOM 1053 CA VAL 67 66.861 21.795 15.268 54 ALA ATOM 1054 CA ALA 68 63.554 19.917 15.399 55 THR ATOM 1055 CA ASP 69 65.057 16.965 13.513 56 GLU ATOM 1056 CA SER 70 68.000 16.909 15.963 57 ALA ATOM 1057 CA PHE 71 65.647 17.299 18.912 58 ARG ATOM 1058 CA LEU 72 63.787 14.140 17.822 59 ALA ATOM 1059 CA ALA 73 66.990 12.134 17.511 60 ASP ATOM 1060 CA GLN 78 67.900 13.282 21.018 61 SER ATOM 1061 CA VAL 79 64.493 12.372 22.547 62 ILE ATOM 1062 CA TYR 80 64.715 8.942 20.880 63 PHE ATOM 1063 CA SER 81 67.700 8.159 23.048 64 GLU ATOM 1064 CA LYS 82 66.156 9.862 26.076 65 GLU ATOM 1065 CA LEU 83 63.120 7.626 26.235 66 ILE ATOM 1066 CA MET 84 65.309 4.633 27.104 67 PHE ATOM 1067 CA GLN 85 66.733 6.549 30.057 68 GLU ATOM 1068 CA LEU 86 63.363 7.716 31.361 69 ILE ATOM 1069 CA ILE 87 62.064 4.128 31.340 70 ALA ATOM 1070 CA LEU 88 65.165 2.426 32.686 71 ASP ATOM 1071 CA GLY 89 65.744 4.915 35.511 72 ASN ATOM 1072 CA PRO 90 62.139 5.259 36.610 73 ALA ATOM 1073 CA GLN 91 55.196 6.193 31.222 84 ARG ATOM 1074 CA PRO 92 53.413 9.496 30.481 85 LEU ATOM 1075 CA SER 93 56.701 11.235 29.701 86 ARG ATOM 1076 CA VAL 94 57.692 8.386 27.337 87 VAL ATOM 1077 CA LYS 95 54.296 8.130 25.619 88 ASP ATOM 1078 CA ALA 96 54.255 11.880 25.028 89 THR ATOM 1079 CA MET 97 57.713 11.718 23.424 90 ARG ATOM 1080 CA GLN 98 56.820 8.708 21.272 91 LYS ATOM 1081 CA LEU 99 53.782 10.530 19.925 92 TRP ATOM 1082 CA TYR 100 55.761 13.709 19.364 93 ALA ATOM 1083 CA MET 101 58.670 11.939 17.623 94 LEU ATOM 1084 CA GLN 102 56.446 10.651 14.870 95 ALA ATOM 1085 CA ARG 103 55.332 14.207 14.138 96 ARG ATOM 1086 CA PHE 104 58.786 15.726 14.340 97 MET ATOM 1087 CA GLY 105 60.209 13.235 11.815 98 ASN ATOM 1088 CA LEU 106 57.420 11.098 10.280 99 PRO ATOM 1089 CA LEU 107 59.702 7.783 13.608 102 TYR ATOM 1090 CA THR 108 56.218 7.055 12.253 103 GLY ATOM 1091 CA ASP 109 54.664 3.621 12.713 104 ASP ATOM 1092 CA LYS 110 56.040 0.771 10.597 105 LYS ATOM 1093 CA LYS 111 53.777 -1.958 9.194 106 VAL ATOM 1094 CA VAL 112 54.301 -4.627 6.550 107 THR ATOM 1095 CA ILE 113 50.946 -5.700 5.056 108 ASN ATOM 1096 CA GLU 114 50.891 -9.013 3.202 109 GLU ATOM 1097 CA GLY 115 47.907 -8.468 0.879 110 LEU ATOM 1098 CA ASP 116 46.002 -11.549 -0.329 111 VAL ATOM 1099 CA LEU 117 42.535 -12.206 -1.738 112 GLY TER 72 60.610 2 4ivnA1 ATOM 2001 CA MET 1 17.874 -14.959 10.576 2 LEU ATOM 2002 CA MET 2 17.236 -14.480 6.813 3 LEU ATOM 2003 CA ALA 3 14.429 -17.074 6.760 4 VAL ATOM 2004 CA LYS 4 12.962 -15.536 9.943 5 ARG ATOM 2005 CA LEU 5 13.060 -12.083 8.336 6 LEU ATOM 2006 CA ASP 6 11.161 -13.339 5.313 7 ARG ATOM 2007 CA GLU 7 8.381 -15.232 7.120 8 SER ATOM 2008 CA LEU 8 7.991 -13.183 10.305 9 ASN ATOM 2009 CA LYS 9 7.565 -9.982 8.288 10 MET ATOM 2010 CA GLN 10 3.818 -10.315 7.647 11 GLU ATOM 2011 CA LYS 11 3.139 -8.757 11.101 12 PRO ATOM 2012 CA LEU 12 5.588 -5.834 10.389 13 PHE ATOM 2013 CA THR 13 4.353 -2.300 9.614 14 SER ATOM 2014 CA ALA 14 5.043 -0.594 6.238 15 LYS ATOM 2015 CA LYS 15 7.940 1.408 7.636 16 LYS ATOM 2016 CA GLN 16 9.595 -1.736 9.117 17 LEU ATOM 2017 CA ILE 17 8.808 -3.622 5.795 18 ARG ATOM 2018 CA GLN 18 10.883 -1.125 3.856 19 VAL ATOM 2019 CA ALA 19 13.859 -1.929 6.062 20 VAL ATOM 2020 CA ALA 20 13.115 -5.671 6.096 21 ALA ATOM 2021 CA TYR 21 12.956 -5.554 2.245 22 ASP ATOM 2022 CA LEU 22 16.185 -3.595 1.787 23 TYR ATOM 2023 CA LEU 23 18.019 -6.066 4.010 24 ILE ATOM 2024 CA VAL 24 16.557 -9.177 2.297 25 LEU ATOM 2025 CA GLU 25 17.746 -7.730 -1.026 26 GLU ATOM 2026 CA ASN 26 21.134 -6.345 0.023 27 ASN ATOM 2027 CA GLU 27 22.095 -8.660 2.783 28 ALA ATOM 2028 CA LEU 28 25.656 -9.313 1.717 29 HIS ATOM 2029 CA MET 29 26.406 -5.582 1.711 30 ASP ATOM 2030 CA GLU 30 24.430 -4.797 4.890 31 VAL ATOM 2031 CA GLU 32 27.245 -6.717 6.817 32 GLN ATOM 2032 CA LYS 33 29.455 -3.741 6.090 33 PHE ATOM 2033 CA ARG 34 26.935 -0.950 6.883 34 GLN ATOM 2034 CA THR 35 26.604 1.015 10.080 35 THR ATOM 2035 CA GLN 36 23.228 1.755 11.667 36 ILE ATOM 2036 CA ASP 37 23.732 5.285 10.160 37 THR ATOM 2037 CA GLU 38 24.066 3.794 6.623 38 ASP ATOM 2038 CA MET 39 21.123 1.373 6.901 39 LEU ATOM 2039 CA ALA 40 18.980 4.303 8.043 40 ALA ATOM 2040 CA ASN 41 20.108 6.535 5.185 41 ARG ATOM 2041 CA GLU 42 19.899 3.892 2.485 42 ASN ATOM 2042 CA LEU 43 16.336 3.068 3.509 43 THR ATOM 2043 CA GLY 44 15.319 6.701 4.257 44 GLN ATOM 2044 CA ILE 45 14.050 5.708 7.748 45 THR ATOM 2045 CA ASN 46 15.267 6.781 11.187 46 SER ATOM 2046 CA ARG 47 17.815 4.813 13.172 47 GLU ATOM 2047 CA THR 48 14.939 4.219 15.609 48 ALA ATOM 2048 CA THR 49 13.043 2.333 12.873 49 THR ATOM 2049 CA LEU 50 16.080 0.124 12.117 50 VAL ATOM 2050 CA TRP 51 16.532 -0.586 15.837 51 VAL ATOM 2051 CA GLU 52 12.850 -1.458 16.227 52 ARG ATOM 2052 CA TRP 53 13.112 -3.945 13.354 53 LEU ATOM 2053 CA ARG 54 16.221 -5.451 15.016 54 CYS ATOM 2054 CA THR 55 14.535 -5.794 18.402 55 ARG ATOM 2055 CA LYS 56 11.227 -7.018 16.923 56 ASP ATOM 2056 CA ASN 57 13.270 -9.815 15.480 57 MET ATOM 2057 CA GLN 58 19.410 -6.561 21.182 60 LYS ATOM 2058 CA ASP 59 19.985 -3.947 18.496 61 GLY ATOM 2059 CA PHE 60 21.595 -3.286 15.099 62 TYR ATOM 2060 CA ILE 61 25.107 -4.557 15.900 63 SER ATOM 2061 CA ALA 62 23.701 -7.883 17.382 64 ASP ATOM 2062 CA PHE 63 21.459 -8.300 14.296 65 PHE ATOM 2063 CA LYS 64 24.316 -7.446 11.903 66 ARG ATOM 2064 CA SER 65 26.597 -10.058 13.611 67 MET ATOM 2065 CA GLU 66 23.880 -12.799 13.245 68 ALA ATOM 2066 CA VAL 67 23.447 -11.660 9.707 69 LEU ATOM 2067 CA ALA 68 27.147 -12.187 8.845 70 ALA ATOM 2068 CA ASP 69 27.175 -15.596 10.573 71 VAL ATOM 2069 CA SER 70 23.928 -16.580 8.751 72 ASP ATOM 2070 CA PHE 71 25.437 -15.582 5.350 73 LEU ATOM 2071 CA LEU 72 28.665 -17.407 6.239 74 SER ATOM 2072 CA ALA 73 27.291 -20.837 5.353 75 GLN TER 98 62.610 3 3zqqA ATOM 3001 CA LYS 11 -6.265 -29.690 -31.668 1 LYS ATOM 3002 CA LEU 12 -5.960 -28.201 -28.180 2 LEU ATOM 3003 CA THR 13 -7.874 -25.432 -26.412 3 SER ATOM 3004 CA ALA 14 -6.211 -22.565 -24.489 4 PRO ATOM 3005 CA LYS 15 -8.108 -23.777 -21.426 5 LYS ATOM 3006 CA GLN 16 -6.831 -27.261 -22.253 6 GLN ATOM 3007 CA ILE 17 -3.139 -26.607 -22.877 7 GLU ATOM 3008 CA GLN 18 -3.248 -24.489 -19.730 8 ARG ATOM 3009 CA ALA 19 -4.131 -27.732 -17.952 9 PHE ATOM 3010 CA ALA 20 -1.297 -29.742 -19.491 10 ILE ATOM 3011 CA TYR 21 1.326 -27.354 -18.127 11 GLU ATOM 3012 CA LEU 22 -0.665 -26.964 -14.912 12 GLU ATOM 3013 CA LEU 23 -0.481 -30.740 -14.557 13 TYR ATOM 3014 CA VAL 24 3.275 -31.241 -14.196 14 PHE ATOM 3015 CA GLU 25 3.363 -28.307 -11.779 15 ILE ATOM 3016 CA GLU 32 1.337 -30.242 -9.207 16 ASN ATOM 3017 CA LYS 33 2.898 -33.718 -9.084 17 ASP ATOM 3018 CA ARG 34 0.346 -35.037 -11.593 18 MET ATOM 3019 CA THR 35 -2.549 -33.931 -9.376 19 ASN ATOM 3020 CA GLN 36 -5.657 -33.514 -11.537 20 ALA ATOM 3021 CA ASP 37 -8.207 -32.404 -8.936 21 THR ATOM 3022 CA GLU 38 -5.802 -29.518 -8.310 22 LYS ATOM 3023 CA MET 39 -4.674 -28.527 -11.804 23 ALA ATOM 3024 CA ALA 40 -8.309 -28.433 -12.928 24 ALA ATOM 3025 CA ASN 41 -8.791 -25.454 -10.609 25 ILE ATOM 3026 CA GLU 42 -5.680 -23.540 -11.678 26 ALA ATOM 3027 CA LEU 43 -6.191 -24.460 -15.336 27 ALA ATOM 3028 CA GLY 44 -9.158 -22.186 -15.970 28 GLY ATOM 3029 CA ILE 45 -11.941 -24.692 -15.337 29 TYR ATOM 3030 CA ASN 46 -14.734 -24.219 -12.796 30 SER ATOM 3031 CA ARG 47 -13.628 -24.554 -9.177 31 LYS ATOM 3032 CA THR 48 -16.593 -26.902 -8.724 32 ASN ATOM 3033 CA THR 49 -16.585 -29.446 -11.559 33 SER ATOM 3034 CA LEU 50 -9.366 -33.248 -14.319 38 GLY ATOM 3035 CA TRP 51 -9.960 -36.940 -13.661 39 ALA ATOM 3036 CA GLU 52 -11.680 -37.107 -17.050 40 GLU ATOM 3037 CA TRP 53 -9.500 -34.828 -19.184 41 ASN ATOM 3038 CA ARG 54 -6.676 -37.318 -18.667 42 LEU ATOM 3039 CA THR 55 -8.729 -39.607 -20.907 43 GLN ATOM 3040 CA ASN 57 -9.035 -37.196 -23.831 44 LYS ATOM 3041 CA GLN 58 -6.269 -38.246 -26.293 45 PRO ATOM 3042 CA ASP 59 -5.628 -34.540 -26.874 46 ALA ATOM 3043 CA PHE 60 -4.378 -33.972 -23.328 47 ILE ATOM 3044 CA ILE 61 -3.385 -37.594 -22.716 48 ARG ATOM 3045 CA ALA 62 -0.714 -38.216 -25.354 49 ALA ATOM 3046 CA PHE 63 0.447 -34.615 -24.919 50 ARG ATOM 3047 CA LYS 64 1.224 -35.437 -21.289 51 ILE ATOM 3048 CA SER 65 3.453 -38.393 -22.165 52 ASP ATOM 3049 CA GLU 66 5.600 -35.740 -23.845 53 ALA ATOM 3050 CA VAL 67 7.103 -34.431 -20.601 54 ARG ATOM 3051 CA ALA 68 6.898 -37.843 -18.923 55 LEU ATOM 3052 CA ASP 69 10.465 -38.914 -19.715 56 LYS ATOM 3053 CA SER 70 19.162 -35.225 -17.748 57 LYS ATOM 3054 CA ALA 73 21.995 -33.843 -19.875 58 ILE ATOM 3055 CA GLU 74 22.973 -30.216 -19.274 59 LEU ATOM 3056 CA LYS 75 22.262 -28.378 -22.531 60 GLN ATOM 3057 CA ARG 76 24.701 -25.964 -24.175 61 ALA ATOM 3058 CA GLU 77 23.168 -22.693 -22.984 62 ASN ATOM 3059 CA GLN 78 22.774 -24.405 -19.611 63 GLU ATOM 3060 CA VAL 79 26.486 -25.121 -19.193 64 VAL ATOM 3061 CA TYR 80 27.019 -21.385 -19.682 65 LEU ATOM 3062 CA SER 81 24.095 -20.293 -17.509 66 GLU ATOM 3063 CA LYS 82 26.094 -21.680 -14.594 67 HIS ATOM 3064 CA LEU 83 29.588 -20.533 -15.568 68 LEU ATOM 3065 CA MET 84 28.010 -17.089 -15.871 69 THR ATOM 3066 CA GLN 85 26.856 -17.079 -12.240 70 ARG ATOM 3067 CA LEU 86 30.156 -18.224 -10.745 71 ILE ATOM 3068 CA ILE 87 31.844 -15.379 -12.614 72 ALA ATOM 3069 CA LEU 88 29.423 -12.875 -11.096 73 LEU ATOM 3070 CA GLY 89 30.382 -14.392 -7.756 74 GLY ATOM 3071 CA PRO 90 27.106 -15.973 -6.671 75 GLN ATOM 3072 CA GLN 91 32.280 -17.874 -1.786 95 GLU ATOM 3073 CA PRO 92 33.797 -19.251 -4.989 96 VAL ATOM 3074 CA SER 93 37.575 -18.795 -4.892 97 SER ATOM 3075 CA VAL 94 38.500 -16.566 -13.110 102 ILE ATOM 3076 CA LYS 95 38.579 -20.089 -14.544 103 LYS ATOM 3077 CA ALA 96 34.875 -19.687 -15.280 104 ALA ATOM 3078 CA MET 97 35.655 -16.354 -16.931 105 LEU ATOM 3079 CA GLN 98 38.344 -17.914 -19.121 106 GLU ATOM 3080 CA LEU 99 35.752 -20.389 -20.389 107 LEU ATOM 3081 CA TYR 100 33.032 -17.776 -20.905 108 LEU ATOM 3082 CA MET 101 35.436 -15.754 -23.021 109 GLY ATOM 3083 CA GLN 102 36.363 -18.810 -25.065 110 LYS ATOM 3084 CA ARG 103 32.677 -18.859 -26.010 111 ALA ATOM 3085 CA PHE 104 33.414 -15.675 -27.955 112 HIS ATOM 3086 CA GLY 105 36.913 -16.496 -29.208 113 ALA ATOM 3087 CA LEU 106 38.035 -13.465 -27.206 114 VAL ATOM 3088 CA LEU 107 41.352 -14.884 -25.997 115 PHE ATOM 3089 CA THR 108 44.143 -15.268 -28.554 116 THR ATOM 3090 CA ASP 109 47.685 -16.668 -28.616 117 ASP ATOM 3091 CA LYS 110 50.401 -15.569 -31.041 118 LYS ATOM 3092 CA LYS 111 53.062 -17.770 -32.650 119 GLN ATOM 3093 CA VAL 112 56.152 -17.240 -34.823 120 LYS ATOM 3094 CA ILE 113 56.607 -20.589 -36.569 121 VAL ATOM 3095 CA GLU 114 59.713 -21.093 -38.720 122 GLU ATOM 3096 CA GLY 115 59.669 -24.344 -40.699 123 THR ATOM 3097 CA ASP 116 61.853 -26.495 -42.970 124 ASN ATOM 3098 CA LEU 117 59.942 -29.642 -43.957 125 GLN TER