#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lyi s VAL 932 N 0.00 5.12 0.10 3.15 1.01 -1.26 -1.69 120.40 126.83 3lyi s VAL 932 Ca 0.00 0.85 -0.00 0.00 0.00 0.00 0.00 61.98 62.82 3lyi s VAL 932 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3lyi s VAL 932 CO 0.00 0.17 -0.00 0.68 0.00 0.00 0.00 175.10 175.95 3lyi s VAL 933 N 1.78 0.29 -0.28 2.92 -7.23 -0.26 -0.99 120.40 116.63 3lyi s VAL 933 Ca 0.21 -1.88 -0.18 0.00 -1.81 0.00 0.00 61.98 58.32 3lyi s VAL 933 Cb -0.15 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 3lyi s VAL 933 CO 0.09 -0.74 0.54 0.26 -0.31 0.00 0.00 175.10 174.94 3lyi s TRP 934 N -3.90 3.25 -0.15 2.82 0.52 0.21 -0.01 118.94 121.68 3lyi s TRP 934 Ca 0.15 0.60 -0.00 0.00 0.02 0.00 0.00 56.10 56.87 3lyi s TRP 934 Cb 0.07 -2.79 -0.01 0.00 -1.15 0.00 0.00 33.47 29.59 3lyi s TRP 934 CO -0.04 -0.34 -0.13 0.00 0.02 0.00 0.00 176.95 176.47 3lyi s ALA 935 N 2.38 2.60 -0.25 0.98 0.00 0.37 -1.79 121.76 126.05 3lyi s ALA 935 Ca 0.22 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 3lyi s ALA 935 Cb -0.15 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 3lyi s ALA 935 CO 0.10 0.08 0.09 0.21 0.00 0.00 0.00 175.76 176.24 3lyi s LYS 936 N 0.62 3.71 0.11 0.00 2.47 -0.67 -1.14 119.74 124.84 3lyi s LYS 936 Ca -0.07 -0.45 0.06 0.00 -1.56 0.00 0.00 55.97 53.95 3lyi s LYS 936 Cb -0.16 -3.38 -0.04 0.00 -1.46 0.00 0.00 37.83 32.79 3lyi s LYS 936 CO 0.03 -0.19 -0.04 0.00 0.16 0.00 0.00 175.35 175.31 3lyi n SER 938 N 0.52 1.70 -0.26 0.00 7.64 -1.26 -1.79 113.62 120.18 3lyi n SER 938 Ca -0.12 1.11 -0.03 0.00 1.01 0.00 0.00 58.87 60.84 3lyi n SER 938 Cb 0.53 -1.13 -0.01 0.00 -1.01 0.00 0.00 64.21 62.58 3lyi n SER 938 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3lyi n GLY 939 N 3.05 0.55 3.32 0.23 0.00 -1.26 -5.00 105.19 106.07 3lyi n GLY 939 Ca 0.22 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 3lyi n GLY 939 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3lyi s TYR 940 N -1.78 1.59 0.64 1.61 2.02 -0.74 -5.16 117.35 115.53 3lyi s TYR 940 Ca 0.00 -0.62 -0.09 0.00 -0.37 0.00 0.00 57.07 55.99 3lyi s TYR 940 Cb 0.00 -0.76 -0.00 0.00 -0.40 0.00 0.00 41.96 40.80 3lyi s TYR 940 CO 0.00 0.28 1.00 -1.25 -1.57 0.00 0.00 175.55 174.01 3lyi s PRO 941 N -3.61 3.07 0.25 -1.71 0.04 -1.26 -4.46 135.00 127.33 3lyi s PRO 941 Ca 0.20 0.36 -0.31 0.00 0.04 0.00 0.00 61.00 61.29 3lyi s PRO 941 Cb -0.00 -2.13 -0.13 0.00 0.04 0.00 0.00 34.50 32.27 3lyi s PRO 941 CO 0.05 -0.78 1.36 0.43 0.04 0.00 0.00 177.00 178.10 3lyi n SER 942 N -2.77 2.62 -3.92 6.66 7.64 -1.26 -4.61 113.62 117.96 3lyi n SER 942 Ca 0.05 1.15 -0.17 0.00 1.01 0.00 0.00 58.87 60.92 3lyi n SER 942 Cb 0.57 -1.42 -0.15 0.00 -1.01 0.00 0.00 64.21 62.20 3lyi n SER 942 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3lyi s TYR 943 N -0.27 0.50 0.24 1.43 5.04 -0.29 -4.88 117.35 119.12 3lyi s TYR 943 Ca 0.66 -0.10 -0.31 0.00 -2.44 0.00 0.00 57.07 54.89 3lyi s TYR 943 Cb -0.65 -0.39 -0.11 0.00 0.35 0.00 0.00 41.96 41.16 3lyi s TYR 943 CO 0.52 -0.06 1.58 -2.14 -1.34 0.00 0.00 175.55 174.11 3lyi s PRO 944 N 0.25 4.17 0.32 4.97 0.02 -1.26 -0.48 135.00 142.99 3lyi s PRO 944 Ca -0.03 2.48 -0.06 0.00 0.02 0.00 0.00 61.00 63.41 3lyi s PRO 944 Cb -0.06 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.38 3lyi s PRO 944 CO -0.00 -0.60 0.50 0.00 -0.33 0.00 0.00 177.00 176.56 3lyi s ALA 945 N 0.47 0.40 -0.08 -1.55 0.00 0.98 -1.09 121.76 120.90 3lyi s ALA 945 Ca 0.66 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3lyi s ALA 945 Cb -0.46 1.09 0.02 0.00 0.00 0.00 0.00 23.12 23.78 3lyi s ALA 945 CO 0.40 -0.82 -0.08 -1.17 0.00 0.00 0.00 175.76 174.10 3lyi s LEU 946 N -3.17 1.32 0.10 0.00 2.96 -0.31 -1.10 118.68 118.47 3lyi s LEU 946 Ca 0.27 -0.24 -0.31 0.00 -0.22 0.00 0.00 54.13 53.63 3lyi s LEU 946 Cb -0.01 -0.71 -0.07 0.00 0.50 0.00 0.00 46.19 45.90 3lyi s LEU 946 CO 0.16 -0.06 1.35 -0.63 -1.32 0.00 0.00 176.35 175.86 3lyi s ILE 947 N 1.21 3.47 -0.04 6.68 1.01 -0.68 0.16 121.20 133.00 3lyi s ILE 947 Ca -0.05 1.05 0.07 0.00 0.00 0.00 0.00 60.65 61.71 3lyi s ILE 947 Cb -0.14 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 3lyi s ILE 947 CO -0.02 0.08 -0.25 -0.63 0.00 0.00 0.00 174.94 174.12 3lyi s ILE 948 N 1.15 2.12 -0.35 2.92 -1.09 0.98 -4.94 121.20 122.00 3lyi s ILE 948 Ca 0.63 -1.06 -0.21 0.00 -2.23 0.00 0.00 60.65 57.79 3lyi s ILE 948 Cb -0.35 -1.76 0.00 0.00 -1.58 0.00 0.00 42.46 38.77 3lyi s ILE 948 CO 0.30 0.58 0.65 -0.62 -1.23 0.00 0.00 174.94 174.61 3lyi s ASP 949 N -0.38 6.46 0.53 3.58 2.15 -1.26 -3.88 116.67 123.86 3lyi s ASP 949 Ca 0.03 0.23 0.47 0.00 0.43 0.00 0.00 52.55 53.71 3lyi s ASP 949 Cb -0.12 -2.34 1.69 0.00 -0.30 0.00 0.00 42.92 41.85 3lyi s ASP 949 CO 0.01 -0.58 1.55 -2.65 -0.17 0.00 0.00 175.17 173.33 3lyi n PRO 950 N 6.05 -0.01 -3.33 4.34 -0.01 -1.26 -5.10 135.00 135.68 3lyi n PRO 950 Ca -0.01 1.10 -0.26 0.00 -0.01 0.00 0.00 63.50 64.32 3lyi n PRO 950 Cb 0.49 -2.48 -0.09 0.00 -0.01 0.00 0.00 33.50 31.41 3lyi n PRO 950 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12 3lyi n LYS 951 N -4.02 0.46 0.00 -0.52 4.01 -1.26 -4.99 118.16 111.83 3lyi n LYS 951 Ca 0.44 -3.25 0.00 0.00 -0.51 0.00 0.00 58.31 54.99 3lyi n LYS 951 Cb 1.94 -1.53 0.00 0.00 -0.51 0.00 0.00 35.03 34.93 3lyi n LYS 951 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 3lyi n PRO 965 N 2.26 0.00 -2.81 1.97 -0.02 -1.26 -5.21 135.00 129.94 3lyi n PRO 965 Ca 0.26 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.39 3lyi n PRO 965 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.91 3lyi n PRO 965 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3lyi s ALA 966 N 0.00 3.17 0.15 3.55 0.00 -1.26 -5.00 121.76 122.37 3lyi s ALA 966 Ca 0.00 0.46 -0.31 0.00 0.00 0.00 0.00 51.96 52.11 3lyi s ALA 966 Cb 0.00 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 3lyi s ALA 966 CO 0.00 0.17 1.50 -1.25 0.00 0.00 0.00 175.76 176.18 3lyi s PRO 967 N -2.42 4.26 0.66 0.00 0.04 -1.26 -5.01 135.00 131.27 3lyi s PRO 967 Ca 0.54 2.26 -0.14 0.00 0.04 0.00 0.00 61.00 63.69 3lyi s PRO 967 Cb -0.15 -3.18 -0.00 0.00 0.04 0.00 0.00 34.50 31.20 3lyi s PRO 967 CO 0.20 -0.53 1.09 -2.14 0.04 0.00 0.00 177.00 175.66 3lyi s PRO 968 N 1.01 2.89 0.35 0.56 0.02 -1.26 -4.93 135.00 133.64 3lyi s PRO 968 Ca 0.67 1.27 0.03 0.00 0.02 0.00 0.00 61.00 62.99 3lyi s PRO 968 Cb -0.41 -1.97 0.65 0.00 0.02 0.00 0.00 34.50 32.79 3lyi s PRO 968 CO 0.32 -1.16 2.01 -0.07 -0.33 0.00 0.00 177.00 177.76 3lyi h LEU 969 N -0.07 0.71 -0.45 -5.54 3.38 -2.01 -2.63 115.31 108.71 3lyi h LEU 969 Ca -0.46 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 3lyi h LEU 969 Cb 1.23 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3lyi h LEU 969 CO 0.55 0.51 -0.06 -2.24 0.09 0.00 0.00 178.44 177.29 3lyi h ASP 970 N 0.84 0.83 -0.70 -0.43 3.04 -2.00 -2.91 116.42 115.09 3lyi h ASP 970 Ca 0.24 -0.34 0.12 0.00 -3.24 0.00 0.00 57.03 53.81 3lyi h ASP 970 Cb -0.07 -0.23 -0.08 0.00 -1.04 0.00 0.00 39.33 37.92 3lyi h ASP 970 CO -0.05 0.97 0.28 0.58 -2.04 0.00 0.00 179.24 178.98 3lyi h VAL 971 N 0.67 0.72 0.00 4.15 2.07 -1.85 -1.31 116.25 120.70 3lyi h VAL 971 Ca 0.12 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 3lyi h VAL 971 Cb 0.58 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3lyi h VAL 971 CO 0.03 0.08 -0.39 -0.07 0.02 0.00 0.00 177.57 177.25 3lyi h LEU 972 N 0.45 0.00 0.16 2.57 3.38 -1.50 -3.09 115.31 117.29 3lyi h LEU 972 Ca 0.37 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.02 3lyi h LEU 972 Cb 0.50 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.28 3lyi h LEU 972 CO -0.35 0.39 -1.32 0.50 0.09 0.00 0.00 178.44 177.74 3lyi h LYS 973 N 0.00 0.61 -0.38 1.13 1.63 -1.07 -3.05 116.57 115.44 3lyi h LYS 973 Ca -0.00 -0.87 -0.14 0.00 -0.85 0.00 0.00 60.65 58.79 3lyi h LYS 973 Cb 0.81 0.30 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 3lyi h LYS 973 CO 0.05 1.41 -0.30 0.97 -3.45 0.00 0.00 179.45 178.13 3lyi h ILE 974 N 0.24 1.28 -0.46 2.00 6.09 -1.42 -2.82 117.51 122.43 3lyi h ILE 974 Ca -0.21 -1.46 0.00 0.00 -1.37 0.00 0.00 64.86 61.82 3lyi h ILE 974 Cb 2.00 1.38 -0.02 0.00 0.47 0.00 0.00 36.82 40.65 3lyi h ILE 974 CO 0.25 0.49 0.29 1.23 -3.07 0.00 0.00 178.15 177.34 3lyi h GLY 975 N 0.67 0.65 0.97 8.18 0.00 -1.64 0.45 103.07 112.34 3lyi h GLY 975 Ca 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 3lyi h GLY 975 CO 0.08 0.25 0.22 -2.09 0.00 0.00 0.00 176.54 174.99 3lyi h GLU 976 N 0.63 0.65 -0.10 4.80 4.81 -1.45 0.28 114.58 124.20 3lyi h GLU 976 Ca 0.17 -0.09 -0.19 0.00 -0.13 0.00 0.00 59.36 59.12 3lyi h GLU 976 Cb -0.05 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 3lyi h GLU 976 CO -0.03 0.55 -0.71 1.25 -0.73 0.00 0.00 179.01 179.34 3lyi h HIS 977 N 0.59 0.63 -0.14 0.92 2.76 -0.94 -3.02 115.15 115.95 3lyi h HIS 977 Ca 0.16 -0.27 -0.12 0.00 -2.20 0.00 0.00 60.37 57.93 3lyi h HIS 977 Cb 0.11 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 3lyi h HIS 977 CO -0.01 1.03 -0.46 0.52 -1.30 0.00 0.00 177.93 177.71 3lyi h MET 978 N 0.33 0.33 0.00 5.26 2.86 -0.02 -2.66 114.93 121.03 3lyi h MET 978 Ca -0.03 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 3lyi h MET 978 Cb 1.29 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.95 3lyi h MET 978 CO 0.13 0.72 -0.21 0.37 1.06 0.00 0.00 176.91 178.98 3lyi h GLN 979 N 0.27 0.00 -0.17 1.72 5.75 -0.91 -2.80 115.11 118.97 3lyi h GLN 979 Ca 0.02 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.57 3lyi h GLN 979 Cb 0.91 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.45 3lyi h GLN 979 CO 0.08 0.21 0.13 1.15 -2.65 0.00 0.00 178.83 177.75 3lyi h THR 980 N 0.00 0.87 0.00 2.39 2.02 -1.34 -3.22 112.91 113.63 3lyi h THR 980 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3lyi h THR 980 Cb 0.54 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3lyi h THR 980 CO 0.03 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.21 3lyi n LYS 981 N -4.42 1.49 -4.11 6.66 5.02 -1.07 -5.04 118.16 116.69 3lyi n LYS 981 Ca 0.01 -1.12 -0.30 0.00 -2.02 0.00 0.00 58.31 54.88 3lyi n LYS 981 Cb 0.26 -1.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.20 3lyi n LYS 981 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3lyi s SER 982 N -0.62 5.14 -0.04 4.39 1.04 -1.15 -5.07 113.70 117.38 3lyi s SER 982 Ca 0.00 -0.16 -0.10 0.00 0.48 0.00 0.00 55.95 56.17 3lyi s SER 982 Cb 0.00 -1.26 -0.05 0.00 0.10 0.00 0.00 66.02 64.81 3lyi s SER 982 CO 0.00 0.16 0.48 0.44 0.98 0.00 0.00 173.24 175.30 3lyi h ASP 983 N 3.28 -0.30 -3.61 7.02 3.45 -1.94 -3.47 116.42 120.86 3lyi h ASP 983 Ca -0.47 0.01 -0.48 0.00 0.43 0.00 0.00 57.03 56.52 3lyi h ASP 983 Cb 1.17 0.08 0.05 0.00 -0.56 0.00 0.00 39.33 40.07 3lyi h ASP 983 CO 0.61 0.04 0.15 -1.83 -1.57 0.00 0.00 179.24 176.64 3lyi s GLU 984 N -2.73 3.12 0.08 3.56 -1.05 -1.26 -5.01 118.70 115.41 3lyi s GLU 984 Ca -0.05 0.05 -0.31 0.00 -0.15 0.00 0.00 54.97 54.51 3lyi s GLU 984 Cb 0.01 -2.31 -0.07 0.00 -0.44 0.00 0.00 34.13 31.31 3lyi s GLU 984 CO 0.16 -0.53 1.44 0.21 0.95 0.00 0.00 175.26 177.48 3lyi s LYS 985 N -4.90 4.28 -0.02 -4.83 2.47 -1.26 -4.87 119.74 110.61 3lyi s LYS 985 Ca 0.52 2.10 -0.25 0.00 -1.56 0.00 0.00 55.97 56.78 3lyi s LYS 985 Cb -0.10 -3.39 -0.04 0.00 -1.46 0.00 0.00 37.83 32.83 3lyi s LYS 985 CO 0.45 -0.53 0.75 -0.51 0.16 0.00 0.00 175.35 175.67 3lyi s LEU 986 N 1.72 4.37 0.14 5.43 1.43 -1.26 -3.72 118.68 126.78 3lyi s LEU 986 Ca 0.66 1.33 0.05 0.00 -1.03 0.00 0.00 54.13 55.14 3lyi s LEU 986 Cb -0.36 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 3lyi s LEU 986 CO 0.29 -0.08 0.06 -0.36 0.23 0.00 0.00 176.35 176.50 3lyi s PHE 987 N 0.49 3.04 -0.20 0.29 0.08 0.87 -4.82 117.98 117.74 3lyi s PHE 987 Ca 0.39 -0.03 -0.15 0.00 0.12 0.00 0.00 56.93 57.26 3lyi s PHE 987 Cb -0.19 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 3lyi s PHE 987 CO 0.21 0.51 0.37 -1.17 -0.10 0.00 0.00 175.22 175.04 3lyi s LEU 988 N -2.78 4.17 0.01 -0.37 2.96 -1.25 -0.74 118.68 120.67 3lyi s LEU 988 Ca 0.29 0.49 0.05 0.00 -0.22 0.00 0.00 54.13 54.73 3lyi s LEU 988 Cb -0.11 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 3lyi s LEU 988 CO 0.21 -0.04 -0.13 0.68 -1.32 0.00 0.00 176.35 175.75 3lyi s VAL 989 N 1.17 3.19 -0.34 1.68 -7.23 -0.29 -0.01 120.40 118.57 3lyi s VAL 989 Ca 0.18 -0.92 -0.03 0.00 -1.81 0.00 0.00 61.98 59.41 3lyi s VAL 989 Cb -0.14 -2.34 0.07 0.00 0.56 0.00 0.00 36.38 34.52 3lyi s VAL 989 CO 0.07 0.42 0.08 -0.22 -0.31 0.00 0.00 175.10 175.14 3lyi s LEU 990 N -1.27 4.37 0.45 1.32 1.98 0.12 -2.59 118.68 123.06 3lyi s LEU 990 Ca 0.15 -1.49 -0.23 0.00 -2.89 0.00 0.00 54.13 49.67 3lyi s LEU 990 Cb -0.11 -1.77 -0.08 0.00 0.66 0.00 0.00 46.19 44.90 3lyi s LEU 990 CO 0.05 -0.36 1.13 -0.36 -1.89 0.00 0.00 176.35 174.93 3lyi s PHE 991 N 1.24 2.97 -0.06 5.38 0.08 -0.10 -1.17 117.98 126.32 3lyi s PHE 991 Ca -0.00 1.56 0.00 0.00 0.12 0.00 0.00 56.93 58.61 3lyi s PHE 991 Cb -0.21 -3.30 0.06 0.00 -0.57 0.00 0.00 43.02 39.00 3lyi s PHE 991 CO -0.01 -1.27 1.66 1.19 -0.10 0.00 0.00 175.22 176.68 3lyi n PHE 992 N -0.42 0.33 -3.03 0.36 3.72 -0.25 -4.20 117.46 113.97 3lyi n PHE 992 Ca 0.07 -0.99 -0.22 0.00 -0.05 0.00 0.00 57.45 56.25 3lyi n PHE 992 Cb 0.49 -0.49 0.01 0.00 -0.94 0.00 0.00 39.48 38.54 3lyi n PHE 992 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3lyi s ASP 993 N 1.28 5.82 0.28 4.37 -4.77 -1.26 -4.58 116.67 117.81 3lyi s ASP 993 Ca 0.06 0.21 -0.02 0.00 -3.30 0.00 0.00 52.55 49.50 3lyi s ASP 993 Cb 0.05 -1.45 0.43 0.00 -1.09 0.00 0.00 42.92 40.85 3lyi s ASP 993 CO 0.00 -0.69 1.91 0.78 0.70 0.00 0.00 175.17 177.87 3lyi h ASN 994 N 0.45 1.01 0.78 2.11 4.21 -2.00 -1.07 115.58 121.06 3lyi h ASN 994 Ca -0.46 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.05 3lyi h ASN 994 Cb 1.26 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.24 3lyi h ASN 994 CO 0.56 0.67 0.00 0.29 -1.29 0.00 0.00 177.43 177.66 3lyi n LYS 995 N -4.47 0.14 -3.41 0.81 4.76 -1.26 -4.95 118.16 109.78 3lyi n LYS 995 Ca 0.14 0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.48 3lyi n LYS 995 Cb 0.14 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.84 3lyi n LYS 995 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3lyi n ARG 996 N -1.43 -1.41 -2.32 1.97 1.74 -0.41 -4.95 116.66 109.85 3lyi n ARG 996 Ca 0.09 1.10 -0.36 0.00 -0.77 0.00 0.00 57.85 57.91 3lyi n ARG 996 Cb 0.28 -4.23 -0.01 0.00 -1.02 0.00 0.00 32.46 27.48 3lyi n ARG 996 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3lyi s SER 997 N -3.04 6.02 0.01 0.55 0.01 -1.26 -4.73 113.70 111.25 3lyi s SER 997 Ca 0.05 2.17 0.06 0.00 1.31 0.00 0.00 55.95 59.53 3lyi s SER 997 Cb -0.02 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 3lyi s SER 997 CO 0.82 -1.01 -0.16 0.26 0.41 0.00 0.00 173.24 173.55 3lyi s TRP 998 N -1.73 2.62 0.24 2.43 0.52 -1.26 -0.92 118.94 120.84 3lyi s TRP 998 Ca 0.68 -0.22 -0.14 0.00 0.02 0.00 0.00 56.10 56.44 3lyi s TRP 998 Cb -0.24 -1.53 0.00 0.00 -1.15 0.00 0.00 33.47 30.56 3lyi s TRP 998 CO 0.28 0.23 0.51 -0.65 0.02 0.00 0.00 176.95 177.34 3lyi s GLN 999 N -1.19 1.55 -0.22 4.98 -1.52 -1.07 -5.01 119.66 117.17 3lyi s GLN 999 Ca 0.14 -1.16 -0.04 0.00 -1.95 0.00 0.00 55.36 52.34 3lyi s GLN 999 Cb -0.11 0.49 -0.01 0.00 -0.22 0.00 0.00 33.01 33.17 3lyi s GLN 999 CO 0.04 -0.65 -0.03 -1.58 -0.25 0.00 0.00 175.29 172.81 3lyi s TRP 1000N -3.98 2.97 0.02 0.91 0.52 -1.26 -1.14 118.94 116.98 3lyi s TRP 1000Ca 0.19 -0.89 0.04 0.00 0.02 0.00 0.00 56.10 55.46 3lyi s TRP 1000Cb -0.01 -2.12 -0.02 0.00 -1.15 0.00 0.00 33.47 30.17 3lyi s TRP 1000CO 0.07 -0.53 -0.11 -0.51 0.02 0.00 0.00 176.95 175.89 3lyi s LEU 1001N 1.49 2.11 0.64 2.99 1.43 0.08 -4.84 118.68 122.58 3lyi s LEU 1001Ca 0.06 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.68 3lyi s LEU 1001Cb -0.14 -0.49 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 3lyi s LEU 1001CO -0.03 0.04 1.07 -2.16 0.23 0.00 0.00 176.35 175.50 3lyi s PRO 1002N -0.76 3.09 0.29 1.29 0.04 -1.26 -0.09 135.00 137.60 3lyi s PRO 1002Ca 0.01 1.17 0.03 0.00 0.04 0.00 0.00 61.00 62.25 3lyi s PRO 1002Cb -0.06 -2.00 0.73 0.00 0.04 0.00 0.00 34.50 33.21 3lyi s PRO 1002CO 0.00 -0.99 1.43 1.17 0.04 0.00 0.00 177.00 178.65 3lyi n LYS 1003N -2.43 -0.07 0.18 4.56 3.00 -1.24 -0.79 118.16 121.37 3lyi n LYS 1003Ca 0.09 1.36 0.16 0.00 -0.00 0.00 0.00 58.31 59.91 3lyi n LYS 1003Cb 0.53 -2.17 0.77 0.00 0.00 0.00 0.00 35.03 34.16 3lyi n LYS 1003CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3lyi h SER 1004N 0.00 0.00 -0.40 3.14 4.64 -1.93 -1.68 113.55 117.32 3lyi h SER 1004Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 3lyi h SER 1004Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3lyi h SER 1004CO -0.85 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.40 3lyi n LYS 1005N -4.06 2.76 -4.64 4.77 4.76 0.03 -4.88 118.16 116.90 3lyi n LYS 1005Ca 0.02 -1.79 -0.23 0.00 -2.87 0.00 0.00 58.31 53.43 3lyi n LYS 1005Cb 0.32 -1.68 -0.14 0.00 -1.84 0.00 0.00 35.03 31.69 3lyi n LYS 1005CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 3lyi s MET 1006N -1.75 1.25 -0.02 1.97 -1.94 -0.63 -1.66 119.30 116.51 3lyi s MET 1006Ca 0.32 -0.73 0.00 0.00 -1.71 0.00 0.00 55.69 53.57 3lyi s MET 1006Cb 0.21 -1.26 0.02 0.00 2.01 0.00 0.00 34.83 35.81 3lyi s MET 1006CO 0.15 0.33 0.02 0.08 -0.01 0.00 0.00 175.02 175.59 3lyi s VAL 1007N -0.61 0.00 0.28 -6.03 1.01 -0.74 -4.97 120.40 109.34 3lyi s VAL 1007Ca 0.05 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 3lyi s VAL 1007Cb -0.07 -0.10 -0.13 0.00 0.00 0.00 0.00 36.38 36.07 3lyi s VAL 1007CO 0.00 0.08 1.25 -2.65 0.00 0.00 0.00 175.10 173.79 3lyi n PRO 1008N 3.93 1.82 -4.27 2.72 -0.02 -1.26 0.67 135.00 138.59 3lyi n PRO 1008Ca -0.24 0.64 -0.35 0.00 -2.02 0.00 0.00 63.50 61.54 3lyi n PRO 1008Cb 0.52 -2.19 -0.09 0.00 -0.02 0.00 0.00 33.50 31.72 3lyi n PRO 1008CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3lyi s LEU 1009N -0.15 3.70 -0.13 2.45 0.20 -0.16 -4.54 118.68 120.05 3lyi s LEU 1009Ca 0.62 0.16 0.00 0.00 0.69 0.00 0.00 54.13 55.60 3lyi s LEU 1009Cb -0.65 -1.94 0.00 0.00 -0.43 0.00 0.00 46.19 43.17 3lyi s LEU 1009CO 0.57 0.35 0.00 0.61 -0.29 0.00 0.00 176.35 177.59 3lyi n GLY 1010N 1.88 0.49 0.35 7.98 0.00 -1.26 -4.82 105.19 109.81 3lyi n GLY 1010Ca -0.17 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 3lyi n GLY 1010CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3lyi n ILE 1011N -2.95 0.39 -4.06 -0.61 2.08 -1.26 -4.91 119.36 108.04 3lyi n ILE 1011Ca -0.01 -0.13 -0.32 0.00 0.56 0.00 0.00 62.75 62.85 3lyi n ILE 1011Cb 0.05 -1.10 -0.15 0.00 -0.75 0.00 0.00 39.64 37.69 3lyi n ILE 1011CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3lyi s ASP 1012N -5.07 4.50 0.48 4.38 2.15 -1.26 -5.01 116.67 116.85 3lyi s ASP 1012Ca -0.09 -1.48 0.19 0.00 0.43 0.00 0.00 52.55 51.60 3lyi s ASP 1012Cb 0.03 -1.56 1.21 0.00 -0.30 0.00 0.00 42.92 42.29 3lyi s ASP 1012CO 0.14 -0.21 1.99 -0.08 -0.17 0.00 0.00 175.17 176.84 3lyi h GLU 1013N 7.76 0.20 -0.39 4.34 4.81 -1.99 -0.37 114.58 128.95 3lyi h GLU 1013Ca -0.17 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 58.91 3lyi h GLU 1013Cb 1.04 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 3lyi h GLU 1013CO 0.47 0.13 -0.28 1.15 -0.73 0.00 0.00 179.01 179.75 3lyi h THR 1014N 0.21 1.28 0.04 0.32 2.02 -2.00 -2.47 112.91 112.31 3lyi h THR 1014Ca 0.26 -1.44 -0.23 0.00 0.77 0.00 0.00 66.41 65.77 3lyi h THR 1014Cb 0.75 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3lyi h THR 1014CO -0.05 0.48 -1.01 -0.29 0.37 0.00 0.00 175.52 175.03 3lyi h ILE 1015N 0.69 1.51 -0.32 3.11 2.10 -1.76 -2.66 117.51 120.17 3lyi h ILE 1015Ca 0.07 -2.81 0.01 0.00 1.08 0.00 0.00 64.86 63.21 3lyi h ILE 1015Cb 0.86 2.64 -0.02 0.00 -1.09 0.00 0.00 36.82 39.21 3lyi h ILE 1015CO 0.08 0.82 0.20 0.44 -1.08 0.00 0.00 178.15 178.60 3lyi h ASP 1016N 0.11 0.33 -0.41 2.19 3.32 -1.11 -1.02 116.42 119.82 3lyi h ASP 1016Ca -0.07 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 3lyi h ASP 1016Cb 1.68 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 41.14 3lyi h ASP 1016CO 0.16 0.24 -0.07 0.11 -1.72 0.00 0.00 179.24 177.96 3lyi h LYS 1017N 0.41 0.85 -0.14 3.56 1.79 -1.46 -1.86 116.57 119.71 3lyi h LYS 1017Ca 0.12 -0.27 -0.10 0.00 -2.18 0.00 0.00 60.65 58.22 3lyi h LYS 1017Cb -0.02 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 3lyi h LYS 1017CO -0.05 0.90 -0.35 1.25 -1.08 0.00 0.00 179.45 180.12 3lyi h LEU 1018N 0.77 0.29 -0.12 2.94 5.85 -1.30 -2.70 115.31 121.04 3lyi h LEU 1018Ca 0.13 -0.11 -0.24 0.00 0.84 0.00 0.00 57.88 58.51 3lyi h LEU 1018Cb 0.57 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.52 3lyi h LEU 1018CO 0.03 0.63 -0.99 0.11 -0.34 0.00 0.00 178.44 177.88 3lyi h LYS 1019N 0.24 0.44 0.00 1.25 1.79 -0.99 -2.96 116.57 116.35 3lyi h LYS 1019Ca 0.03 -0.49 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 3lyi h LYS 1019Cb 0.74 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 3lyi h LYS 1019CO 0.06 1.15 0.00 -1.33 -1.08 0.00 0.00 179.45 178.25 3lyi n MET 1020N -3.74 0.09 0.00 3.15 2.81 -0.72 -2.42 117.12 116.29 3lyi n MET 1020Ca -0.08 0.20 0.12 0.00 -1.81 0.00 0.00 57.70 56.13 3lyi n MET 1020Cb 0.86 -1.50 0.19 0.00 -0.71 0.00 0.00 33.22 32.06 3lyi n MET 1020CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3lyi n MET 1021N -1.41 0.48 0.21 0.03 2.81 -1.03 -4.47 117.12 113.73 3lyi n MET 1021Ca 0.05 -0.33 0.05 0.00 -1.81 0.00 0.00 57.70 55.67 3lyi n MET 1021Cb 0.15 -1.49 0.46 0.00 -0.71 0.00 0.00 33.22 31.63 3lyi n MET 1021CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3lyi h GLU 1022N 0.79 0.00 -6.75 0.03 5.08 -1.53 -3.45 114.58 108.76 3lyi h GLU 1022Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3lyi h GLU 1022Cb 0.54 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.88 3lyi h GLU 1022CO 0.00 0.29 0.80 0.41 -1.00 0.00 0.00 179.01 179.50 3lyi n GLY 1023N -0.55 1.17 0.00 -3.84 0.00 -1.26 -4.89 105.19 95.82 3lyi n GLY 1023Ca -0.02 0.46 0.14 0.00 0.00 0.00 0.00 46.02 46.60 3lyi n GLY 1023CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3lyi n ARG 1024N 2.02 0.19 -3.94 1.61 1.85 -1.26 -4.79 116.66 112.34 3lyi n ARG 1024Ca 0.09 0.01 -0.12 0.00 -1.00 0.00 0.00 57.85 56.83 3lyi n ARG 1024Cb 0.35 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 30.26 3lyi n ARG 1024CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3lyi s ASN 1025N -2.80 0.52 0.24 2.89 2.20 -1.26 -5.08 114.94 111.64 3lyi s ASN 1025Ca 0.20 -1.36 0.07 0.00 -0.94 0.00 0.00 52.86 50.84 3lyi s ASN 1025Cb 0.19 0.77 0.23 0.00 -2.00 0.00 0.00 41.25 40.45 3lyi s ASN 1025CO 0.48 -1.53 1.54 -1.28 -2.94 0.00 0.00 177.10 173.38 3lyi h SER 1026N 2.04 0.12 -0.59 3.54 0.87 -2.00 -2.51 113.55 115.01 3lyi h SER 1026Ca -0.31 -0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.09 3lyi h SER 1026Cb 1.24 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 3lyi h SER 1026CO 0.40 0.76 0.05 0.28 -0.53 0.00 0.00 176.83 177.78 3lyi h SER 1027N 0.07 1.00 0.02 6.23 0.02 -1.99 -1.92 113.55 116.98 3lyi h SER 1027Ca -0.01 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3lyi h SER 1027Cb 1.20 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3lyi h SER 1027CO 0.10 1.02 -0.01 0.40 -1.14 0.00 0.00 176.83 177.20 3lyi h ILE 1028N 0.96 1.41 -0.91 3.27 2.04 -1.93 -2.86 117.51 119.49 3lyi h ILE 1028Ca 0.18 -1.35 0.04 0.00 1.00 0.00 0.00 64.86 64.72 3lyi h ILE 1028Cb 0.49 2.31 -0.05 0.00 -0.74 0.00 0.00 36.82 38.83 3lyi h ILE 1028CO 0.02 0.34 0.59 0.03 0.00 0.00 0.00 178.15 179.13 3lyi h ARG 1029N -0.61 1.10 -0.52 2.37 3.08 -1.48 -0.64 114.38 117.67 3lyi h ARG 1029Ca -0.00 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.03 3lyi h ARG 1029Cb 0.58 -0.25 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 3lyi h ARG 1029CO 0.00 0.73 0.26 0.87 -1.07 0.00 0.00 179.97 180.76 3lyi h LYS 1030N 1.13 0.50 -0.25 0.04 1.79 -1.40 0.06 116.57 118.44 3lyi h LYS 1030Ca 0.36 -0.03 -0.14 0.00 -2.18 0.00 0.00 60.65 58.66 3lyi h LYS 1030Cb 0.02 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 3lyi h LYS 1030CO -0.12 0.33 -0.42 0.00 -1.08 0.00 0.00 179.45 178.16 3lyi h ALA 1031N 1.28 0.79 -0.38 3.86 0.00 -1.14 -1.99 119.26 121.68 3lyi h ALA 1031Ca 0.23 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3lyi h ALA 1031Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3lyi h ALA 1031CO -0.16 0.66 0.17 0.28 0.00 0.00 0.00 179.25 180.19 3lyi h VAL 1032N 0.50 1.18 -0.89 0.00 2.07 -0.85 -1.31 116.25 116.97 3lyi h VAL 1032Ca 0.04 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.05 3lyi h VAL 1032Cb 0.94 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3lyi h VAL 1032CO 0.08 0.20 0.58 -0.09 0.02 0.00 0.00 177.57 178.37 3lyi h ARG 1033N 0.47 1.10 -0.19 1.57 9.65 -0.86 0.56 114.38 126.69 3lyi h ARG 1033Ca 0.13 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.92 3lyi h ARG 1033Cb 0.15 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 3lyi h ARG 1033CO -0.01 0.73 0.03 0.82 2.80 0.00 0.00 179.97 184.33 3lyi h ILE 1034N 1.14 1.23 -0.62 1.20 2.04 -1.21 -1.97 117.51 119.31 3lyi h ILE 1034Ca 0.34 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 3lyi h ILE 1034Cb -0.03 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3lyi h ILE 1034CO -0.09 0.23 0.32 0.00 0.00 0.00 0.00 178.15 178.61 3lyi h ALA 1035N 0.82 1.41 -0.71 1.87 0.00 -0.43 -1.22 119.26 121.00 3lyi h ALA 1035Ca 0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3lyi h ALA 1035Cb 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3lyi h ALA 1035CO 0.00 0.48 0.18 0.35 0.00 0.00 0.00 179.25 180.27 3lyi h PHE 1036N 0.86 1.18 -0.63 0.00 3.57 0.16 -1.60 116.94 120.48 3lyi h PHE 1036Ca 0.22 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3lyi h PHE 1036Cb 0.05 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 3lyi h PHE 1036CO 0.01 0.95 0.40 -0.44 -2.23 0.00 0.00 178.31 177.00 3lyi h ASP 1037N 1.06 0.74 -0.57 0.41 5.19 -0.59 0.10 116.42 122.76 3lyi h ASP 1037Ca 0.22 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.56 3lyi h ASP 1037Cb 0.36 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.66 3lyi h ASP 1037CO 0.00 0.56 0.23 0.03 -3.12 0.00 0.00 179.24 176.94 3lyi h ARG 1038N 0.85 0.85 -0.61 3.56 3.08 -1.04 -1.69 114.38 119.38 3lyi h ARG 1038Ca 0.23 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3lyi h ARG 1038Cb -0.06 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 3lyi h ARG 1038CO -0.05 0.73 0.23 0.00 -1.07 0.00 0.00 179.97 179.81 3lyi h ALA 1039N 1.08 0.80 -0.17 0.04 0.00 -1.08 -0.91 119.26 119.02 3lyi h ALA 1039Ca 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3lyi h ALA 1039Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3lyi h ALA 1039CO -0.02 0.43 -0.06 0.52 0.00 0.00 0.00 179.25 180.12 3lyi h MET 1040N 0.86 0.25 -0.26 0.00 2.86 -0.86 -2.17 114.93 115.62 3lyi h MET 1040Ca 0.20 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.61 3lyi h MET 1040Cb 0.23 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 3lyi h MET 1040CO -0.01 0.33 -0.57 -0.91 1.06 0.00 0.00 176.91 176.81 3lyi h ASN 1041N 0.25 0.89 -0.68 1.22 2.35 -0.80 -3.10 115.58 115.70 3lyi h ASN 1041Ca 0.05 -0.49 0.08 0.00 -0.55 0.00 0.00 56.30 55.40 3lyi h ASN 1041Cb 0.27 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.32 3lyi h ASN 1041CO 0.01 1.27 0.35 -0.74 -1.65 0.00 0.00 177.43 176.67 3lyi h HIS 1042N 0.61 0.63 -0.58 1.19 2.76 -0.88 -1.20 115.15 117.68 3lyi h HIS 1042Ca 0.01 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3lyi h HIS 1042Cb 1.16 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.91 3lyi h HIS 1042CO 0.07 0.26 0.29 -0.07 -1.30 0.00 0.00 177.93 177.18 3lyi h LEU 1043N 0.62 0.72 0.06 0.26 3.38 -1.33 -2.74 115.31 116.28 3lyi h LEU 1043Ca 0.32 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3lyi h LEU 1043Cb 0.30 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3lyi h LEU 1043CO -0.24 0.60 -0.03 0.28 0.09 0.00 0.00 178.44 179.14 3lyi h SER 1044N 0.81 -0.07 0.42 -0.43 0.02 -1.42 -3.04 113.55 109.84 3lyi h SER 1044Ca 0.20 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3lyi h SER 1044Cb 0.06 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3lyi h SER 1044CO -0.03 0.32 0.00 0.54 -1.14 0.00 0.00 176.83 176.52 3lyi n ARG 1045N -4.94 0.16 -0.01 3.45 3.00 -0.49 -1.77 116.66 116.06 3lyi n ARG 1045Ca -0.08 0.51 0.08 0.00 -0.01 0.00 0.00 57.85 58.34 3lyi n ARG 1045Cb 0.22 -1.89 -0.12 0.00 0.00 0.00 0.00 32.46 30.67 3lyi n ARG 1045CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3lyi n VAL 1046N -2.21 0.00 -1.10 1.55 0.24 -1.07 -4.32 118.33 111.42 3lyi n VAL 1046Ca 0.01 -0.34 -0.25 0.00 -2.04 0.00 0.00 64.34 61.71 3lyi n VAL 1046Cb 0.15 0.24 0.13 0.00 -1.47 0.00 0.00 33.84 32.88 3lyi n VAL 1046CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3lyi n HIS 1047N -1.98 2.83 1.38 6.34 -0.00 -0.73 -5.12 115.22 117.94 3lyi n HIS 1047Ca -0.02 -2.14 0.14 0.00 -0.00 0.00 0.00 57.72 55.70 3lyi n HIS 1047Cb 0.40 -1.06 0.42 0.00 -0.00 0.00 0.00 29.99 29.75 3lyi n HIS 1047CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75