#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lyi s PRO 929 N 0.00 4.46 0.22 5.31 0.04 -1.26 -4.99 135.00 138.78 3lyi s PRO 929 Ca 0.00 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 61.99 3lyi s PRO 929 Cb 0.00 -2.63 -0.16 0.00 0.04 0.00 0.00 34.50 31.75 3lyi s PRO 929 CO 0.00 0.20 0.81 1.28 0.04 0.00 0.00 177.00 179.33 3lyi n LEU 930 N 0.23 0.30 0.04 -3.56 4.77 -1.26 -4.87 117.00 112.64 3lyi n LEU 930 Ca 0.03 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.16 3lyi n LEU 930 Cb 0.51 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 3lyi n LEU 930 CO 0.42 -2.14 0.00 1.17 -1.33 0.00 0.00 177.39 175.52 3lyi n LYS 931 N 1.00 0.00 -3.40 3.23 3.00 -1.26 -4.91 118.16 115.81 3lyi n LYS 931 Ca 0.14 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.07 3lyi n LYS 931 Cb 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.21 3lyi n LYS 931 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3lyi s VAL 932 N -1.21 5.19 0.06 3.15 1.01 -1.26 -0.66 120.40 126.68 3lyi s VAL 932 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3lyi s VAL 932 Cb 0.00 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3lyi s VAL 932 CO 0.00 0.19 -0.05 0.68 0.00 0.00 0.00 175.10 175.92 3lyi s VAL 933 N 1.87 0.40 -0.40 2.92 -7.23 -0.45 -1.31 120.40 116.19 3lyi s VAL 933 Ca 0.15 -1.60 -0.24 0.00 -1.81 0.00 0.00 61.98 58.48 3lyi s VAL 933 Cb -0.15 -1.24 0.02 0.00 0.56 0.00 0.00 36.38 35.56 3lyi s VAL 933 CO 0.09 -0.79 0.83 0.26 -0.31 0.00 0.00 175.10 175.18 3lyi s TRP 934 N -3.08 3.05 -0.09 2.82 0.52 0.90 -0.46 118.94 122.60 3lyi s TRP 934 Ca 0.02 0.48 0.01 0.00 0.02 0.00 0.00 56.10 56.63 3lyi s TRP 934 Cb 0.02 -3.59 -0.02 0.00 -1.15 0.00 0.00 33.47 28.72 3lyi s TRP 934 CO -0.05 -0.86 -0.11 0.00 0.02 0.00 0.00 176.95 175.94 3lyi s ALA 935 N 3.31 2.78 -0.25 0.98 0.00 0.16 -1.04 121.76 127.69 3lyi s ALA 935 Ca 0.33 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 3lyi s ALA 935 Cb -0.12 -1.18 -0.00 0.00 0.00 0.00 0.00 23.12 21.82 3lyi s ALA 935 CO 0.20 0.43 0.01 0.21 0.00 0.00 0.00 175.76 176.62 3lyi s LYS 936 N -0.32 3.27 0.03 0.00 2.47 0.17 -0.83 119.74 124.53 3lyi s LYS 936 Ca 0.04 -0.71 0.01 0.00 -1.56 0.00 0.00 55.97 53.75 3lyi s LYS 936 Cb -0.13 -3.17 -0.04 0.00 -1.46 0.00 0.00 37.83 33.04 3lyi s LYS 936 CO 0.02 -0.29 0.07 0.00 0.16 0.00 0.00 175.35 175.31 3lyi n SER 938 N 0.87 3.00 0.00 0.00 2.88 -1.26 -1.59 113.62 117.51 3lyi n SER 938 Ca -0.11 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 3lyi n SER 938 Cb 0.52 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 3lyi n SER 938 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3lyi n GLY 939 N 3.85 1.02 3.22 0.46 0.00 -1.26 -5.04 105.19 107.44 3lyi n GLY 939 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.49 1.58 0.84 1.61 2.02 -0.62 -5.13 117.35 115.16 3lyi s TYR 940 Ca 0.00 -0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.20 3lyi s TYR 940 Cb 0.00 -0.91 0.10 0.00 -0.40 0.00 0.00 41.96 40.75 3lyi s TYR 940 CO 0.00 0.11 1.11 -1.25 -1.57 0.00 0.00 175.55 173.94 3lyi s PRO 941 N -1.46 1.68 0.29 -1.71 0.04 -1.26 -4.27 135.00 128.32 3lyi s PRO 941 Ca 0.04 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 3lyi s PRO 941 Cb -0.09 -1.83 -0.13 0.00 0.04 0.00 0.00 34.50 32.49 3lyi s PRO 941 CO 0.02 -2.07 1.20 0.43 0.04 0.00 0.00 177.00 176.62 3lyi n SER 942 N -3.82 2.10 -3.94 6.66 7.64 -1.26 -4.65 113.62 116.35 3lyi n SER 942 Ca 0.10 1.18 -0.15 0.00 1.01 0.00 0.00 58.87 61.00 3lyi n SER 942 Cb 0.53 -1.38 -0.14 0.00 -1.01 0.00 0.00 64.21 62.21 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 -0.81 0.40 0.26 1.43 5.04 -0.01 -4.87 117.35 118.78 3lyi s TYR 943 Ca 0.60 -0.08 -0.31 0.00 -2.44 0.00 0.00 57.07 54.85 3lyi s TYR 943 Cb -0.66 -0.26 -0.12 0.00 0.35 0.00 0.00 41.96 41.28 3lyi s TYR 943 CO 0.58 -0.01 1.64 -2.30 -1.34 0.00 0.00 175.55 174.12 3lyi n PRO 944 N 2.99 2.70 -4.02 4.97 -0.02 -1.26 -0.67 135.00 139.69 3lyi n PRO 944 Ca -0.13 0.96 -0.10 0.00 -2.02 0.00 0.00 63.50 62.22 3lyi n PRO 944 Cb 0.58 -2.77 -0.07 0.00 -0.02 0.00 0.00 33.50 31.23 3lyi n PRO 944 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3lyi s ALA 945 N 0.41 0.11 -0.11 3.55 0.00 0.39 -1.88 121.76 124.24 3lyi s ALA 945 Ca 0.68 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.63 3lyi s ALA 945 Cb -0.51 1.07 0.01 0.00 0.00 0.00 0.00 23.12 23.69 3lyi s ALA 945 CO 0.43 -0.74 -0.17 -1.17 0.00 0.00 0.00 175.76 174.11 3lyi s LEU 946 N -3.03 1.83 0.05 0.00 2.96 0.05 -1.35 118.68 119.20 3lyi s LEU 946 Ca 0.24 -0.47 -0.31 0.00 -0.22 0.00 0.00 54.13 53.38 3lyi s LEU 946 Cb 0.02 -1.17 -0.05 0.00 0.50 0.00 0.00 46.19 45.48 3lyi s LEU 946 CO 0.07 0.04 1.21 -0.63 -1.32 0.00 0.00 176.35 175.73 3lyi s ILE 947 N 0.86 4.01 -0.15 6.68 1.01 0.16 -0.20 121.20 133.58 3lyi s ILE 947 Ca -0.09 1.44 0.02 0.00 0.00 0.00 0.00 60.65 62.02 3lyi s ILE 947 Cb -0.15 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.41 3lyi s ILE 947 CO -0.00 0.10 -0.21 -0.63 0.00 0.00 0.00 174.94 174.19 3lyi s ILE 948 N 1.23 2.03 -0.49 2.92 -1.09 -0.01 -4.94 121.20 120.85 3lyi s ILE 948 Ca 0.59 -0.95 -0.22 0.00 -2.23 0.00 0.00 60.65 57.84 3lyi s ILE 948 Cb -0.29 -1.81 0.04 0.00 -1.58 0.00 0.00 42.46 38.82 3lyi s ILE 948 CO 0.28 0.54 0.75 -0.62 -1.23 0.00 0.00 174.94 174.67 3lyi s ASP 949 N 0.96 6.32 0.25 3.58 -1.08 -1.26 -4.20 116.67 121.24 3lyi s ASP 949 Ca -0.04 -0.47 -0.04 0.00 -0.52 0.00 0.00 52.55 51.49 3lyi s ASP 949 Cb -0.15 -2.36 0.36 0.00 -1.46 0.00 0.00 42.92 39.31 3lyi s ASP 949 CO -0.05 -0.97 1.88 -0.65 0.52 0.00 0.00 175.17 175.89 3lyi h PRO 950 N 9.06 1.08 -0.37 4.34 0.11 -1.96 -2.93 132.00 141.33 3lyi h PRO 950 Ca -0.26 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.67 3lyi h PRO 950 Cb 1.09 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 3lyi h PRO 950 CO 0.98 0.72 -0.20 0.87 -0.21 0.00 0.00 178.00 180.16 3lyi h LYS 951 N 1.12 0.78 -2.31 1.05 6.56 -2.05 -3.41 116.57 118.31 3lyi h LYS 951 Ca 0.40 -0.35 -0.50 0.00 -1.06 0.00 0.00 60.65 59.14 3lyi h LYS 951 Cb 0.13 -0.02 -0.36 0.00 -0.57 0.00 0.00 32.23 31.42 3lyi h LYS 951 CO -0.16 0.98 -0.81 1.41 -2.06 0.00 0.00 179.45 178.81 3lyi s MET 952 N -4.58 0.63 0.39 3.15 1.75 -1.15 -5.02 119.30 114.48 3lyi s MET 952 Ca -0.12 -1.27 0.08 0.00 -1.25 0.00 0.00 55.69 53.13 3lyi s MET 952 Cb 0.10 -1.09 0.81 0.00 2.84 0.00 0.00 34.83 37.48 3lyi s MET 952 CO 0.83 -1.23 1.96 -1.35 -0.65 0.00 0.00 175.02 174.58 3lyi h PRO 953 N 6.80 0.35 -5.62 4.11 0.11 -1.76 -3.42 132.00 132.57 3lyi h PRO 953 Ca 0.08 -0.06 -0.68 0.00 0.11 0.00 0.00 66.00 65.46 3lyi h PRO 953 Cb 0.99 -0.06 -0.31 0.00 0.11 0.00 0.00 31.00 31.73 3lyi h PRO 953 CO 0.25 0.38 -0.86 1.03 -0.21 0.00 0.00 178.00 178.58 3lyi s ARG 954 N -4.98 2.89 -0.45 1.05 0.52 -1.26 -4.72 118.95 112.00 3lyi s ARG 954 Ca -0.06 -0.85 -0.24 0.00 -0.52 0.00 0.00 55.73 54.05 3lyi s ARG 954 Cb 0.16 -2.30 0.02 0.00 0.52 0.00 0.00 34.95 33.35 3lyi s ARG 954 CO 0.73 0.28 0.86 0.08 0.02 0.00 0.00 175.30 177.27 3lyi s VAL 955 N 0.11 4.56 0.12 3.52 1.01 -1.26 -5.00 120.40 123.46 3lyi s VAL 955 Ca -0.11 0.65 -0.33 0.00 0.00 0.00 0.00 61.98 62.19 3lyi s VAL 955 Cb -0.16 -4.37 -0.11 0.00 0.00 0.00 0.00 36.38 31.74 3lyi s VAL 955 CO 0.06 -0.75 1.57 -0.65 0.00 0.00 0.00 175.10 175.33 3lyi h PRO 956 N 8.98 -0.61 0.00 2.72 0.11 -1.99 -2.03 132.00 139.18 3lyi h PRO 956 Ca -0.24 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3lyi h PRO 956 Cb 1.08 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3lyi h PRO 956 CO 0.99 -0.41 0.00 0.41 -0.21 0.00 0.00 178.00 178.78 3lyi n GLY 957 N -1.46 -0.17 4.01 -0.55 0.00 -1.26 -4.72 105.19 101.04 3lyi n GLY 957 Ca -0.07 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 3lyi n GLY 957 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3lyi s HIS 958 N -2.00 2.00 -0.78 1.61 3.76 -0.76 -5.06 115.29 114.07 3lyi s HIS 958 Ca 0.05 -0.60 -0.20 0.00 -0.15 0.00 0.00 55.06 54.15 3lyi s HIS 958 Cb 0.02 -2.25 0.10 0.00 1.11 0.00 0.00 32.58 31.56 3lyi s HIS 958 CO 0.04 -0.79 1.00 -1.01 -0.85 0.00 0.00 174.74 173.13 3lyi s HIS 959 N -2.55 2.93 0.03 1.40 3.76 -1.26 -4.97 115.29 114.62 3lyi s HIS 959 Ca 0.57 -1.00 -0.00 0.00 -0.15 0.00 0.00 55.06 54.48 3lyi s HIS 959 Cb -0.07 -4.25 -0.04 0.00 1.11 0.00 0.00 32.58 29.33 3lyi s HIS 959 CO 0.35 -1.53 0.15 -0.80 -0.85 0.00 0.00 174.74 172.07 3lyi s ASN 960 N 3.64 6.08 0.47 1.40 0.01 -1.26 -4.93 114.94 120.36 3lyi s ASN 960 Ca 0.26 0.22 -0.23 0.00 -0.71 0.00 0.00 52.86 52.40 3lyi s ASN 960 Cb -0.12 -1.82 -0.09 0.00 0.41 0.00 0.00 41.25 39.63 3lyi s ASN 960 CO 0.00 0.22 1.05 0.61 -1.51 0.00 0.00 177.10 177.47 3lyi n GLY 961 N 0.69 -0.09 0.23 0.66 0.00 -1.26 -4.90 105.19 100.52 3lyi n GLY 961 Ca -0.09 0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 3lyi n GLY 961 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3lyi h VAL 962 N 1.35 1.17 -3.95 1.61 2.07 -1.98 -3.41 116.25 113.11 3lyi h VAL 962 Ca -0.46 -0.38 -0.69 0.00 0.82 0.00 0.00 66.70 65.99 3lyi h VAL 962 Cb 1.34 0.43 -0.22 0.00 -1.52 0.00 0.00 31.29 31.31 3lyi h VAL 962 CO 0.56 0.17 -0.76 0.42 0.02 0.00 0.00 177.57 177.98 3lyi s THR 963 N -5.98 3.16 -0.11 2.57 -4.23 -1.26 -5.11 115.64 104.68 3lyi s THR 963 Ca -0.13 -0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 59.62 3lyi s THR 963 Cb 0.12 -2.26 0.03 0.00 1.34 0.00 0.00 72.50 71.73 3lyi s THR 963 CO 0.76 0.55 -0.02 -0.63 -0.54 0.00 0.00 174.62 174.74 3lyi s ILE 964 N -0.78 0.68 0.46 2.99 1.01 -1.26 -5.13 121.20 119.16 3lyi s ILE 964 Ca 0.12 -0.20 -0.24 0.00 0.00 0.00 0.00 60.65 60.34 3lyi s ILE 964 Cb -0.11 -0.85 -0.09 0.00 0.01 0.00 0.00 42.46 41.42 3lyi s ILE 964 CO 0.02 0.20 1.21 -2.65 0.00 0.00 0.00 174.94 173.72 3lyi n PRO 965 N 5.04 1.69 -3.59 2.79 -0.02 -1.26 -4.99 135.00 134.66 3lyi n PRO 965 Ca -0.09 0.61 -0.36 0.00 -2.02 0.00 0.00 63.50 61.63 3lyi n PRO 965 Cb 0.49 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.26 3.62 0.31 3.55 0.00 -1.26 -5.07 121.76 121.65 3lyi s ALA 966 Ca 0.64 -0.51 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 3lyi s ALA 966 Cb -0.49 -2.33 -0.10 0.00 0.00 0.00 0.00 23.12 20.19 3lyi s ALA 966 CO 0.55 0.11 1.24 -1.25 0.00 0.00 0.00 175.76 176.41 3lyi s PRO 967 N 0.43 4.45 0.82 0.00 0.04 -1.26 -5.00 135.00 134.48 3lyi s PRO 967 Ca 0.14 2.07 -0.12 0.00 0.04 0.00 0.00 61.00 63.14 3lyi s PRO 967 Cb -0.12 -3.12 0.09 0.00 0.04 0.00 0.00 34.50 31.39 3lyi s PRO 967 CO 0.02 -0.06 1.15 -2.14 0.04 0.00 0.00 177.00 176.01 3lyi s PRO 968 N -1.57 1.69 0.32 0.56 0.02 -1.26 -4.83 135.00 129.94 3lyi s PRO 968 Ca 0.48 1.51 0.03 0.00 0.02 0.00 0.00 61.00 63.04 3lyi s PRO 968 Cb -0.37 -1.81 0.60 0.00 0.02 0.00 0.00 34.50 32.95 3lyi s PRO 968 CO 0.48 -2.12 1.91 -0.07 -0.33 0.00 0.00 177.00 176.87 3lyi h LEU 969 N -1.18 0.83 -0.85 -5.54 3.38 -2.00 -2.27 115.31 107.69 3lyi h LEU 969 Ca -0.45 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 3lyi h LEU 969 Cb 1.27 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3lyi h LEU 969 CO 0.47 0.52 -0.18 -2.24 0.09 0.00 0.00 178.44 177.10 3lyi h ASP 970 N 0.94 0.66 -0.12 -0.43 2.03 -1.99 -0.72 116.42 116.78 3lyi h ASP 970 Ca 0.39 -0.21 -0.15 0.00 -0.73 0.00 0.00 57.03 56.32 3lyi h ASP 970 Cb 0.28 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 3lyi h ASP 970 CO -0.15 0.84 -0.45 0.58 -1.03 0.00 0.00 179.24 179.04 3lyi h VAL 971 N 0.59 1.30 -0.45 4.15 2.07 -1.80 0.09 116.25 122.20 3lyi h VAL 971 Ca 0.09 -1.64 -0.09 0.00 0.82 0.00 0.00 66.70 65.89 3lyi h VAL 971 Cb 0.64 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3lyi h VAL 971 CO 0.04 0.52 -0.06 -0.07 0.02 0.00 0.00 177.57 178.03 3lyi h LEU 972 N 0.54 0.83 -0.41 2.57 3.38 -1.17 -2.24 115.31 118.80 3lyi h LEU 972 Ca 0.03 -0.34 -0.17 0.00 0.09 0.00 0.00 57.88 57.50 3lyi h LEU 972 Cb 0.99 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3lyi h LEU 972 CO 0.09 0.97 -0.48 0.50 0.09 0.00 0.00 178.44 179.62 3lyi h LYS 973 N 0.67 0.80 -0.23 1.13 3.64 -0.85 -2.35 116.57 119.38 3lyi h LYS 973 Ca 0.12 -0.47 -0.09 0.00 -1.27 0.00 0.00 60.65 58.94 3lyi h LYS 973 Cb 0.58 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 3lyi h LYS 973 CO 0.03 1.10 -0.26 0.97 -2.27 0.00 0.00 179.45 179.03 3lyi h ILE 974 N 0.64 1.26 -0.54 2.00 6.09 -1.00 -2.22 117.51 123.74 3lyi h ILE 974 Ca 0.03 -1.26 0.05 0.00 -1.37 0.00 0.00 64.86 62.31 3lyi h ILE 974 Cb 1.06 1.37 -0.05 0.00 0.47 0.00 0.00 36.82 39.68 3lyi h ILE 974 CO 0.10 0.40 0.28 1.23 -3.07 0.00 0.00 178.15 177.09 3lyi h GLY 975 N 1.02 0.76 0.94 8.18 0.00 -1.22 0.45 103.07 113.21 3lyi h GLY 975 Ca 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 3lyi h GLY 975 CO 0.05 0.12 0.05 -2.09 0.00 0.00 0.00 176.54 174.67 3lyi h GLU 976 N 0.54 0.12 -0.29 4.80 4.81 -1.14 -0.95 114.58 122.47 3lyi h GLU 976 Ca 0.24 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.51 3lyi h GLU 976 Cb 0.14 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 3lyi h GLU 976 CO -0.16 0.14 -0.02 1.25 -0.73 0.00 0.00 179.01 179.49 3lyi h HIS 977 N 0.06 -0.06 -0.47 0.92 2.76 -1.00 -2.82 115.15 114.53 3lyi h HIS 977 Ca 0.03 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 3lyi h HIS 977 Cb 0.06 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 3lyi h HIS 977 CO -0.05 -0.07 0.11 0.52 -1.30 0.00 0.00 177.93 177.14 3lyi h MET 978 N 0.06 0.70 -0.28 5.26 2.86 -0.71 -2.34 114.93 120.48 3lyi h MET 978 Ca 0.14 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3lyi h MET 978 Cb 0.19 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3lyi h MET 978 CO -0.25 0.64 0.13 0.37 1.06 0.00 0.00 176.91 178.85 3lyi h GLN 979 N 0.68 0.38 0.00 1.72 5.75 -0.92 -1.51 115.11 121.21 3lyi h GLN 979 Ca 0.15 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3lyi h GLN 979 Cb 0.26 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.73 3lyi h GLN 979 CO -0.00 0.30 0.00 1.79 -2.65 0.00 0.00 178.83 178.27 3lyi h THR 980 N 0.38 0.00 -0.52 2.39 1.35 -1.31 -2.24 112.91 112.97 3lyi h THR 980 Ca 0.10 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3lyi h THR 980 Cb 0.05 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3lyi h THR 980 CO -0.01 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.55 3lyi n LYS 981 N -2.38 2.61 -4.81 4.72 4.76 -0.59 -4.96 118.16 117.49 3lyi n LYS 981 Ca 0.02 -2.35 -0.32 0.00 -2.87 0.00 0.00 58.31 52.79 3lyi n LYS 981 Cb 0.27 -1.46 -0.17 0.00 -1.84 0.00 0.00 35.03 31.84 3lyi n LYS 981 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3lyi s SER 982 N -1.11 3.05 0.04 4.39 0.15 -0.84 -5.00 113.70 114.39 3lyi s SER 982 Ca 0.38 -0.58 -0.20 0.00 0.70 0.00 0.00 55.95 56.25 3lyi s SER 982 Cb 0.21 -1.41 -0.14 0.00 -1.71 0.00 0.00 66.02 62.97 3lyi s SER 982 CO 0.28 0.10 1.37 0.44 1.20 0.00 0.00 173.24 176.63 3lyi h ASP 983 N 7.15 0.36 -3.99 5.45 3.32 -1.93 -3.44 116.42 123.34 3lyi h ASP 983 Ca -0.29 -0.45 -0.46 0.00 0.02 0.00 0.00 57.03 55.86 3lyi h ASP 983 Cb 1.20 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 3lyi h ASP 983 CO 0.53 0.73 0.37 -1.61 -1.72 0.00 0.00 179.24 177.53 3lyi s GLU 984 N -4.44 4.26 0.06 3.56 2.02 -1.26 -5.00 118.70 117.90 3lyi s GLU 984 Ca -0.14 1.31 -0.31 0.00 0.02 0.00 0.00 54.97 55.85 3lyi s GLU 984 Cb 0.05 -2.43 -0.08 0.00 0.10 0.00 0.00 34.13 31.78 3lyi s GLU 984 CO 0.75 -0.02 1.58 0.21 0.02 0.00 0.00 175.26 177.79 3lyi s LYS 985 N -2.70 4.22 0.18 1.61 2.36 -1.26 -4.93 119.74 119.22 3lyi s LYS 985 Ca 0.58 2.23 -0.19 0.00 -2.55 0.00 0.00 55.97 56.05 3lyi s LYS 985 Cb -0.16 -3.56 -0.08 0.00 -1.05 0.00 0.00 37.83 32.98 3lyi s LYS 985 CO 0.21 -0.68 0.66 -0.51 1.55 0.00 0.00 175.35 176.58 3lyi s LEU 986 N 2.46 4.39 0.10 5.43 1.43 -1.26 -4.22 118.68 127.00 3lyi s LEU 986 Ca 0.71 1.33 0.10 0.00 -1.03 0.00 0.00 54.13 55.23 3lyi s LEU 986 Cb -0.38 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 3lyi s LEU 986 CO 0.31 0.10 -0.25 -0.36 0.23 0.00 0.00 176.35 176.38 3lyi s PHE 987 N -1.42 2.16 -0.11 0.29 0.08 0.11 -4.85 117.98 114.23 3lyi s PHE 987 Ca 0.39 -0.39 -0.26 0.00 0.12 0.00 0.00 56.93 56.79 3lyi s PHE 987 Cb -0.17 -1.21 -0.02 0.00 -0.57 0.00 0.00 43.02 41.05 3lyi s PHE 987 CO 0.21 0.24 0.83 -1.17 -0.10 0.00 0.00 175.22 175.23 3lyi s LEU 988 N -1.76 4.25 0.11 -0.37 2.96 -1.26 -1.26 118.68 121.35 3lyi s LEU 988 Ca 0.11 1.28 0.11 0.00 -0.22 0.00 0.00 54.13 55.41 3lyi s LEU 988 Cb -0.10 -3.27 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 3lyi s LEU 988 CO 0.04 -0.31 -0.27 0.68 -1.32 0.00 0.00 176.35 175.18 3lyi s VAL 989 N 1.61 2.22 -0.30 1.68 -7.23 0.21 -0.83 120.40 117.76 3lyi s VAL 989 Ca 0.41 -1.67 -0.05 0.00 -1.81 0.00 0.00 61.98 58.86 3lyi s VAL 989 Cb -0.18 -1.95 0.03 0.00 0.56 0.00 0.00 36.38 34.85 3lyi s VAL 989 CO 0.17 0.15 0.05 -0.22 -0.31 0.00 0.00 175.10 174.94 3lyi s LEU 990 N -1.86 3.92 0.60 1.32 2.96 0.72 -1.76 118.68 124.59 3lyi s LEU 990 Ca 0.13 -1.00 -0.16 0.00 -0.22 0.00 0.00 54.13 52.87 3lyi s LEU 990 Cb -0.10 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 3lyi s LEU 990 CO 0.05 -0.24 1.08 -0.36 -1.32 0.00 0.00 176.35 175.56 3lyi s PHE 991 N 1.39 2.83 -0.31 5.38 0.08 0.19 -0.77 117.98 126.76 3lyi s PHE 991 Ca -0.01 1.53 0.01 0.00 0.12 0.00 0.00 56.93 58.59 3lyi s PHE 991 Cb -0.18 -3.11 0.36 0.00 -0.57 0.00 0.00 43.02 39.52 3lyi s PHE 991 CO 0.01 -1.34 1.71 1.19 -0.10 0.00 0.00 175.22 176.69 3lyi n PHE 992 N -1.95 1.89 -2.01 0.36 3.72 -0.79 -4.15 117.46 114.53 3lyi n PHE 992 Ca 0.10 -1.62 -0.28 0.00 -0.05 0.00 0.00 57.45 55.60 3lyi n PHE 992 Cb 0.52 -0.81 0.08 0.00 -0.94 0.00 0.00 39.48 38.34 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 -0.36 4.65 0.24 4.37 -4.77 -1.26 -4.55 116.67 114.98 3lyi s ASP 993 Ca 0.36 0.67 -0.06 0.00 -3.30 0.00 0.00 52.55 50.22 3lyi s ASP 993 Cb 0.30 -1.23 0.28 0.00 -1.09 0.00 0.00 42.92 41.17 3lyi s ASP 993 CO 0.04 -1.78 1.88 0.78 0.70 0.00 0.00 175.17 176.80 3lyi h ASN 994 N -0.88 0.96 0.72 2.11 4.21 -1.97 -2.17 115.58 118.56 3lyi h ASN 994 Ca -0.45 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.05 3lyi h ASN 994 Cb 1.32 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.31 3lyi h ASN 994 CO 0.64 0.66 0.00 0.29 -1.29 0.00 0.00 177.43 177.73 3lyi n LYS 995 N -4.52 0.28 -3.40 0.81 5.02 -1.26 -4.96 118.16 110.13 3lyi n LYS 995 Ca 0.11 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.25 3lyi n LYS 995 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 3lyi n LYS 995 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3lyi n ARG 996 N -1.36 -1.57 -3.22 1.97 1.74 -0.82 -4.97 116.66 108.43 3lyi n ARG 996 Ca 0.12 1.23 -0.32 0.00 -0.77 0.00 0.00 57.85 58.11 3lyi n ARG 996 Cb 0.27 -3.90 -0.06 0.00 -1.02 0.00 0.00 32.46 27.75 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 -2.81 6.69 0.01 0.55 0.01 -1.26 -4.83 113.70 112.06 3lyi s SER 997 Ca 0.06 1.12 0.03 0.00 1.31 0.00 0.00 55.95 58.47 3lyi s SER 997 Cb -0.01 -2.31 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 3lyi s SER 997 CO 0.83 -0.17 -0.04 0.26 0.41 0.00 0.00 173.24 174.53 3lyi s TRP 998 N -1.96 2.97 0.07 2.43 0.52 -1.26 -0.63 118.94 121.07 3lyi s TRP 998 Ca 0.51 0.01 -0.12 0.00 0.02 0.00 0.00 56.10 56.52 3lyi s TRP 998 Cb -0.11 -1.63 0.01 0.00 -1.15 0.00 0.00 33.47 30.60 3lyi s TRP 998 CO 0.20 0.41 0.27 -1.14 0.02 0.00 0.00 176.95 176.72 3lyi s GLN 999 N -1.51 0.84 -0.21 4.98 2.00 -0.72 -5.01 119.66 120.03 3lyi s GLN 999 Ca 0.18 -0.68 -0.06 0.00 -2.00 0.00 0.00 55.36 52.80 3lyi s GLN 999 Cb -0.11 0.36 -0.03 0.00 0.80 0.00 0.00 33.01 34.02 3lyi s GLN 999 CO 0.09 -0.28 0.04 -1.58 -0.50 0.00 0.00 175.29 173.06 3lyi s TRP 1000N -3.12 3.10 0.02 1.67 0.52 -1.26 -0.62 118.94 119.26 3lyi s TRP 1000Ca -0.01 -0.29 0.00 0.00 0.02 0.00 0.00 56.10 55.83 3lyi s TRP 1000Cb 0.01 -2.12 -0.02 0.00 -1.15 0.00 0.00 33.47 30.20 3lyi s TRP 1000CO -0.07 -0.15 -0.03 -0.51 0.02 0.00 0.00 176.95 176.21 3lyi s LEU 1001N 0.96 2.20 0.65 2.99 1.43 -0.39 -4.85 118.68 121.67 3lyi s LEU 1001Ca 0.03 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 3lyi s LEU 1001Cb -0.14 0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.09 3lyi s LEU 1001CO 0.02 -0.23 1.04 -2.16 0.23 0.00 0.00 176.35 175.26 3lyi s PRO 1002N -1.20 3.32 0.60 1.29 0.04 -1.26 0.04 135.00 137.83 3lyi s PRO 1002Ca -0.12 0.84 0.38 0.00 0.04 0.00 0.00 61.00 62.14 3lyi s PRO 1002Cb -0.08 -2.04 1.89 0.00 0.04 0.00 0.00 34.50 34.31 3lyi s PRO 1002CO -0.01 -0.79 2.18 0.87 0.04 0.00 0.00 177.00 179.30 3lyi h LYS 1003N -0.47 0.00 0.00 4.56 1.57 -1.95 -1.61 116.57 118.67 3lyi h LYS 1003Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3lyi h LYS 1003Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3lyi h LYS 1003CO 0.60 0.02 0.00 -1.13 -0.57 0.00 0.00 179.45 178.36 3lyi n SER 1004N -3.17 0.00 -1.09 0.86 3.41 -1.26 -2.02 113.62 110.35 3lyi n SER 1004Ca -0.01 0.20 0.06 0.00 -0.26 0.00 0.00 58.87 58.86 3lyi n SER 1004Cb 0.18 -0.33 0.27 0.00 -0.26 0.00 0.00 64.21 64.08 3lyi n SER 1004CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3lyi n LYS 1005N -1.33 3.06 -4.36 4.33 4.76 -0.61 -4.98 118.16 119.03 3lyi n LYS 1005Ca 0.05 -2.92 -0.20 0.00 -2.87 0.00 0.00 58.31 52.36 3lyi n LYS 1005Cb 0.09 -1.91 -0.15 0.00 -1.84 0.00 0.00 35.03 31.22 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 -2.88 0.89 -0.04 1.97 -1.94 -0.86 -0.66 119.30 115.79 3lyi s MET 1006Ca 0.45 -0.29 0.05 0.00 -1.71 0.00 0.00 55.69 54.19 3lyi s MET 1006Cb 0.36 -0.84 -0.01 0.00 2.01 0.00 0.00 34.83 36.35 3lyi s MET 1006CO 0.09 0.11 -0.21 0.08 -0.01 0.00 0.00 175.02 175.08 3lyi s VAL 1007N 0.16 1.71 0.30 -6.03 1.01 -0.21 -4.96 120.40 112.39 3lyi s VAL 1007Ca -0.02 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 3lyi s VAL 1007Cb -0.08 -1.45 -0.14 0.00 0.00 0.00 0.00 36.38 34.72 3lyi s VAL 1007CO 0.00 0.48 1.08 -0.81 0.00 0.00 0.00 175.10 175.86 3lyi n PRO 1008N 2.94 1.56 -4.49 2.72 -0.04 -1.26 -0.07 135.00 136.36 3lyi n PRO 1008Ca -0.17 0.55 -0.32 0.00 -0.04 0.00 0.00 63.50 63.51 3lyi n PRO 1008Cb 0.53 -1.97 -0.11 0.00 -0.04 0.00 0.00 33.50 31.91 3lyi n PRO 1008CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3lyi s LEU 1009N 0.06 3.18 0.00 1.53 0.20 -0.43 -4.55 118.68 118.67 3lyi s LEU 1009Ca 0.58 -0.12 0.00 0.00 0.69 0.00 0.00 54.13 55.28 3lyi s LEU 1009Cb -0.67 -1.80 0.00 0.00 -0.43 0.00 0.00 46.19 43.30 3lyi s LEU 1009CO 0.61 0.30 0.00 0.61 -0.29 0.00 0.00 176.35 177.57 3lyi n GLY 1010N 1.68 0.64 0.05 7.98 0.00 -1.26 -4.75 105.19 109.53 3lyi n GLY 1010Ca -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3lyi n GLY 1010CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3lyi n ILE 1011N -2.68 0.62 -3.69 -0.61 0.13 -1.26 -4.95 119.36 106.92 3lyi n ILE 1011Ca 0.00 -0.59 -0.12 0.00 -1.10 0.00 0.00 62.75 60.94 3lyi n ILE 1011Cb 0.00 -0.25 -0.09 0.00 -0.84 0.00 0.00 39.64 38.46 3lyi n ILE 1011CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3lyi s ASP 1012N -4.68 -0.60 0.16 9.51 2.15 -1.26 -5.06 116.67 116.90 3lyi s ASP 1012Ca -0.08 1.07 -0.13 0.00 0.43 0.00 0.00 52.55 53.85 3lyi s ASP 1012Cb 0.08 1.02 0.05 0.00 -0.30 0.00 0.00 42.92 43.78 3lyi s ASP 1012CO 0.75 -0.19 1.71 -0.08 -0.17 0.00 0.00 175.17 177.19 3lyi h GLU 1013N 6.13 0.81 -0.68 4.34 4.81 -1.99 -1.25 114.58 126.76 3lyi h GLU 1013Ca -0.31 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 3lyi h GLU 1013Cb 1.19 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 3lyi h GLU 1013CO 0.21 0.71 0.30 1.15 -0.73 0.00 0.00 179.01 180.65 3lyi h THR 1014N 0.74 1.23 -0.38 0.32 2.02 -1.99 -0.92 112.91 113.93 3lyi h THR 1014Ca 0.18 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 3lyi h THR 1014Cb 0.20 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3lyi h THR 1014CO -0.01 0.28 0.17 0.40 0.37 0.00 0.00 175.52 176.73 3lyi h ILE 1015N 0.95 1.18 0.03 3.11 2.04 -1.96 -2.13 117.51 120.72 3lyi h ILE 1015Ca 0.23 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3lyi h ILE 1015Cb 0.16 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3lyi h ILE 1015CO -0.02 0.19 -0.01 0.44 0.00 0.00 0.00 178.15 178.75 3lyi h ASP 1016N 0.48 -0.03 -0.90 1.72 3.32 -0.99 -1.60 116.42 118.41 3lyi h ASP 1016Ca 0.13 -0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.15 3lyi h ASP 1016Cb 0.14 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.64 3lyi h ASP 1016CO -0.01 0.08 0.56 0.11 -1.72 0.00 0.00 179.24 178.25 3lyi h LYS 1017N -0.14 0.96 -0.06 3.56 1.79 -1.22 -0.90 116.57 120.56 3lyi h LYS 1017Ca -0.00 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3lyi h LYS 1017Cb 0.13 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 3lyi h LYS 1017CO 0.01 0.64 0.03 1.25 -1.08 0.00 0.00 179.45 180.29 3lyi h LEU 1018N 0.99 0.08 -0.23 2.94 5.85 -1.09 -0.89 115.31 122.97 3lyi h LEU 1018Ca 0.40 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 59.08 3lyi h LEU 1018Cb 0.23 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3lyi h LEU 1018CO -0.19 0.15 -0.11 0.11 -0.34 0.00 0.00 178.44 178.06 3lyi h LYS 1019N -0.01 -0.08 -0.05 1.25 1.79 -1.15 -2.16 116.57 116.17 3lyi h LYS 1019Ca 0.02 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 3lyi h LYS 1019Cb 0.10 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3lyi h LYS 1019CO -0.00 -0.05 0.08 0.52 -1.08 0.00 0.00 179.45 178.92 3lyi h MET 1020N -0.08 0.00 -0.00 3.15 2.86 -0.92 -0.90 114.93 119.04 3lyi h MET 1020Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3lyi h MET 1020Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3lyi h MET 1020CO -0.28 0.00 -0.19 -1.33 1.06 0.00 0.00 176.91 176.17 3lyi n MET 1021N -3.55 0.18 -0.34 1.72 2.81 -0.36 -4.28 117.12 113.30 3lyi n MET 1021Ca -0.02 -0.06 -0.02 0.00 -1.81 0.00 0.00 57.70 55.79 3lyi n MET 1021Cb 0.17 -1.50 0.10 0.00 -0.71 0.00 0.00 33.22 31.28 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 0.15 1.20 -6.27 0.03 5.08 -1.01 -3.45 114.58 110.31 3lyi h GLU 1022Ca 0.00 -0.07 -0.64 0.00 -1.00 0.00 0.00 59.36 57.65 3lyi h GLU 1022Cb 0.46 -0.27 0.10 0.00 0.50 0.00 0.00 28.75 29.54 3lyi h GLU 1022CO 0.00 0.79 -0.10 0.41 -1.00 0.00 0.00 179.01 179.11 3lyi n GLY 1023N -1.35 -0.78 0.21 -3.84 0.00 -1.26 -4.88 105.19 93.29 3lyi n GLY 1023Ca 0.11 0.37 0.09 0.00 0.00 0.00 0.00 46.02 46.59 3lyi n GLY 1023CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3lyi h ARG 1024N 1.82 0.00 -4.46 1.61 2.43 -1.94 -3.44 114.38 110.40 3lyi h ARG 1024Ca -0.36 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.44 3lyi h ARG 1024Cb 1.38 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.83 3lyi h ARG 1024CO 0.61 0.25 -0.31 0.54 -1.51 0.00 0.00 179.97 179.54 3lyi s ASN 1025N -6.22 1.31 0.38 -3.80 2.20 -1.26 -5.04 114.94 102.51 3lyi s ASN 1025Ca 0.02 -1.63 0.12 0.00 -0.94 0.00 0.00 52.86 50.43 3lyi s ASN 1025Cb 0.09 0.63 0.76 0.00 -2.00 0.00 0.00 41.25 40.73 3lyi s ASN 1025CO 0.66 -1.22 1.87 0.77 -2.94 0.00 0.00 177.10 176.23 3lyi h SER 1026N 2.10 0.08 -0.44 3.54 4.64 -1.99 -1.99 113.55 119.49 3lyi h SER 1026Ca -0.27 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 60.92 3lyi h SER 1026Cb 1.24 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3lyi h SER 1026CO 0.37 0.37 -0.14 0.28 -0.87 0.00 0.00 176.83 176.84 3lyi h SER 1027N 0.08 0.88 -0.44 4.97 0.02 -1.97 -0.87 113.55 116.21 3lyi h SER 1027Ca 0.01 -0.38 -0.09 0.00 -0.84 0.00 0.00 61.79 60.50 3lyi h SER 1027Cb 0.54 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3lyi h SER 1027CO 0.04 1.06 -0.05 0.40 -1.14 0.00 0.00 176.83 177.13 3lyi h ILE 1028N 0.70 1.27 -0.61 3.27 2.04 -1.87 -2.45 117.51 119.86 3lyi h ILE 1028Ca 0.11 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 3lyi h ILE 1028Cb 0.69 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 3lyi h ILE 1028CO 0.05 0.39 0.24 0.03 0.00 0.00 0.00 178.15 178.86 3lyi h ARG 1029N 0.66 0.92 -0.52 2.37 3.08 -1.14 -1.35 114.38 118.40 3lyi h ARG 1029Ca 0.12 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3lyi h ARG 1029Cb 0.57 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 3lyi h ARG 1029CO 0.03 0.78 0.31 0.87 -1.07 0.00 0.00 179.97 180.89 3lyi h LYS 1030N 0.86 0.60 -0.70 0.04 1.57 -1.09 0.16 116.57 118.01 3lyi h LYS 1030Ca 0.20 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3lyi h LYS 1030Cb 0.21 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3lyi h LYS 1030CO -0.02 0.39 0.24 0.00 -0.57 0.00 0.00 179.45 179.50 3lyi h ALA 1031N 1.23 1.11 -0.53 3.86 0.00 -1.10 -1.30 119.26 122.53 3lyi h ALA 1031Ca 0.21 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3lyi h ALA 1031Cb 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3lyi h ALA 1031CO -0.10 0.62 -0.09 0.28 0.00 0.00 0.00 179.25 179.96 3lyi h VAL 1032N 1.03 1.27 -0.64 0.00 2.07 -0.96 -2.60 116.25 116.42 3lyi h VAL 1032Ca 0.23 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 3lyi h VAL 1032Cb 0.25 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3lyi h VAL 1032CO -0.01 0.44 0.27 -0.09 0.02 0.00 0.00 177.57 178.20 3lyi h ARG 1033N 0.88 0.95 -0.47 1.57 2.43 -0.60 0.94 114.38 120.08 3lyi h ARG 1033Ca 0.14 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3lyi h ARG 1033Cb 0.66 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 3lyi h ARG 1033CO 0.05 0.79 0.26 0.82 -1.51 0.00 0.00 179.97 180.38 3lyi h ILE 1034N 0.90 1.01 -0.61 1.20 2.04 -1.18 -1.54 117.51 119.34 3lyi h ILE 1034Ca 0.22 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 3lyi h ILE 1034Cb 0.18 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3lyi h ILE 1034CO -0.02 0.09 0.18 0.00 0.00 0.00 0.00 178.15 178.40 3lyi h ALA 1035N 1.23 1.17 -0.33 1.87 0.00 -1.04 -1.60 119.26 120.56 3lyi h ALA 1035Ca 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3lyi h ALA 1035Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3lyi h ALA 1035CO -0.11 0.57 0.22 0.35 0.00 0.00 0.00 179.25 180.28 3lyi h PHE 1036N 0.89 0.43 -0.90 0.00 3.57 -0.36 -0.04 116.94 120.52 3lyi h PHE 1036Ca 0.20 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.76 3lyi h PHE 1036Cb 0.27 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 3lyi h PHE 1036CO 0.02 0.28 0.57 -0.44 -2.23 0.00 0.00 178.31 176.51 3lyi h ASP 1037N 0.45 0.93 -0.42 0.41 3.32 -0.98 0.16 116.42 120.28 3lyi h ASP 1037Ca 0.12 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3lyi h ASP 1037Cb -0.03 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3lyi h ASP 1037CO -0.03 0.61 0.25 0.03 -1.72 0.00 0.00 179.24 178.39 3lyi h ARG 1038N 1.07 0.58 -0.73 3.56 3.08 -0.93 -1.12 114.38 119.89 3lyi h ARG 1038Ca 0.38 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.34 3lyi h ARG 1038Cb 0.11 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3lyi h ARG 1038CO -0.15 0.43 0.31 0.00 -1.07 0.00 0.00 179.97 179.49 3lyi h ALA 1039N 1.11 0.95 -0.65 0.04 0.00 -0.32 -1.11 119.26 119.28 3lyi h ALA 1039Ca 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3lyi h ALA 1039Cb 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3lyi h ALA 1039CO -0.03 0.55 0.23 0.52 0.00 0.00 0.00 179.25 180.52 3lyi h MET 1040N 1.04 0.99 -0.64 0.00 2.86 -0.62 -0.87 114.93 117.69 3lyi h MET 1040Ca 0.25 -0.20 0.07 0.00 -2.06 0.00 0.00 59.70 57.76 3lyi h MET 1040Cb 0.18 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.63 3lyi h MET 1040CO -0.02 0.85 0.31 -0.91 1.06 0.00 0.00 176.91 178.19 3lyi h ASN 1041N 0.92 0.41 -0.26 1.22 2.35 -1.01 0.89 115.58 120.10 3lyi h ASN 1041Ca 0.21 0.05 0.05 0.00 -0.55 0.00 0.00 56.30 56.07 3lyi h ASN 1041Cb 0.25 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 3lyi h ASN 1041CO -0.01 0.26 -0.08 -0.74 -1.65 0.00 0.00 177.43 175.20 3lyi h HIS 1042N 0.56 -0.18 -0.86 1.19 -0.00 -0.63 -0.87 115.15 114.36 3lyi h HIS 1042Ca 0.30 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.70 3lyi h HIS 1042Cb 0.28 0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.76 3lyi h HIS 1042CO -0.11 -0.13 0.56 -0.07 -0.00 0.00 0.00 177.93 178.18 3lyi h LEU 1043N -0.02 0.99 -0.97 0.26 3.38 -0.70 -1.60 115.31 116.64 3lyi h LEU 1043Ca 0.13 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3lyi h LEU 1043Cb 0.22 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 3lyi h LEU 1043CO -0.29 0.72 0.63 0.28 0.09 0.00 0.00 178.44 179.88 3lyi h SER 1044N 1.16 1.04 1.00 -0.43 0.02 -0.31 -2.43 113.55 113.61 3lyi h SER 1044Ca 0.31 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 3lyi h SER 1044Cb -0.12 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.18 3lyi h SER 1044CO -0.07 0.69 -0.16 0.03 -1.14 0.00 0.00 176.83 176.19 3lyi h ARG 1045N 1.19 0.00 -0.36 3.45 3.08 -0.20 -2.79 114.38 118.75 3lyi h ARG 1045Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 3lyi h ARG 1045Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3lyi h ARG 1045CO -0.14 0.16 0.00 1.33 -1.07 0.00 0.00 179.97 180.25 3lyi n VAL 1046N -3.30 0.46 1.73 2.04 0.24 -0.97 -4.99 118.33 113.55 3lyi n VAL 1046Ca 0.00 -0.73 0.15 0.00 -2.04 0.00 0.00 64.34 61.73 3lyi n VAL 1046Cb 0.40 1.02 0.72 0.00 -1.47 0.00 0.00 33.84 34.51 3lyi n VAL 1046CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10