#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9j s ALA 958 N 0.00 -0.83 -0.17 4.61 0.00 -1.26 -5.15 121.76 118.96 2k9j s ALA 958 Ca 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 2k9j s ALA 958 Cb 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 2k9j s ALA 958 CO 0.00 -0.34 -0.08 -1.17 0.00 0.00 0.00 175.76 174.17 2k9j s LEU 959 N -1.64 2.90 -0.10 0.00 2.96 -1.26 -5.10 118.68 116.44 2k9j s LEU 959 Ca -0.10 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 2k9j s LEU 959 Cb -0.03 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 2k9j s LEU 959 CO 0.01 0.10 -0.22 -1.61 -1.32 0.00 0.00 176.35 173.31 2k9j s GLU 960 N 0.78 2.99 0.30 1.98 2.02 -1.26 -5.10 118.70 120.40 2k9j s GLU 960 Ca -0.03 -0.84 -0.29 0.00 0.02 0.00 0.00 54.97 53.82 2k9j s GLU 960 Cb -0.15 -2.34 -0.10 0.00 0.10 0.00 0.00 34.13 31.64 2k9j s GLU 960 CO 0.02 0.24 1.42 -1.21 0.02 0.00 0.00 175.26 175.75 2k9j s GLU 961 N 0.20 4.25 -0.37 1.61 2.02 -1.26 -3.89 118.70 121.26 2k9j s GLU 961 Ca -0.13 2.35 -0.33 0.00 0.02 0.00 0.00 54.97 56.87 2k9j s GLU 961 Cb -0.16 -3.07 0.05 0.00 0.10 0.00 0.00 34.13 31.05 2k9j s GLU 961 CO 0.07 -0.39 0.56 0.54 0.02 0.00 0.00 175.26 176.06 2k9j n ARG 962 N 1.57 -1.63 -0.14 1.61 1.74 -1.26 -4.84 116.66 113.71 2k9j n ARG 962 Ca 0.04 1.25 -0.06 0.00 -0.77 0.00 0.00 57.85 58.32 2k9j n ARG 962 Cb 0.40 -1.75 0.12 0.00 -1.02 0.00 0.00 32.46 30.22 2k9j n ARG 962 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k9j h ALA 963 N 2.09 1.03 -7.07 7.54 0.00 -2.03 -3.47 119.26 117.35 2k9j h ALA 963 Ca -0.48 -0.27 -0.46 0.00 0.00 0.00 0.00 54.91 53.69 2k9j h ALA 963 Cb 1.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2k9j h ALA 963 CO 0.19 0.60 -0.77 0.44 0.00 0.00 0.00 179.25 179.71 2k9j n ILE 964 N -4.21 -1.92 0.52 0.00 -5.35 -1.26 -4.78 119.36 102.36 2k9j n ILE 964 Ca 0.03 -0.44 0.09 0.00 -0.27 0.00 0.00 62.75 62.16 2k9j n ILE 964 Cb 0.31 -1.64 0.40 0.00 -1.74 0.00 0.00 39.64 36.97 2k9j n ILE 964 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2k9j n PRO 965 N -4.09 0.07 0.29 6.28 -0.04 -1.26 -3.22 135.00 133.03 2k9j n PRO 965 Ca -0.09 0.28 0.15 0.00 -0.04 0.00 0.00 63.50 63.80 2k9j n PRO 965 Cb 0.43 -1.62 0.87 0.00 -0.04 0.00 0.00 33.50 33.14 2k9j n PRO 965 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 2k9j h ILE 966 N 0.00 0.43 -0.74 0.52 3.07 -2.02 -2.53 117.51 116.23 2k9j h ILE 966 Ca 0.00 -0.26 -0.03 0.00 1.55 0.00 0.00 64.86 66.13 2k9j h ILE 966 Cb 0.33 1.18 -0.03 0.00 -0.27 0.00 0.00 36.82 38.02 2k9j h ILE 966 CO 0.00 0.05 0.36 -0.50 -1.05 0.00 0.00 178.15 177.01 2k9j h TRP 967 N 0.00 1.05 -0.22 0.16 4.06 -1.92 -1.92 115.95 117.16 2k9j h TRP 967 Ca -0.00 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.90 2k9j h TRP 967 Cb 0.17 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 27.99 2k9j h TRP 967 CO 0.00 0.76 0.12 -1.49 -3.56 0.00 0.00 178.44 174.27 2k9j h TRP 968 N 1.05 0.30 -0.31 0.49 4.06 -1.72 -0.22 115.95 119.59 2k9j h TRP 968 Ca 0.26 -0.01 -0.10 0.00 2.06 0.00 0.00 58.89 61.10 2k9j h TRP 968 Cb 0.11 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.16 2k9j h TRP 968 CO 0.01 0.27 -0.23 -0.24 -3.56 0.00 0.00 178.44 174.69 2k9j h VAL 969 N 0.24 1.27 -0.67 1.49 3.04 -1.65 -2.28 116.25 117.68 2k9j h VAL 969 Ca 0.08 -1.29 -0.03 0.00 -1.01 0.00 0.00 66.70 64.45 2k9j h VAL 969 Cb 0.07 1.28 -0.03 0.00 -2.01 0.00 0.00 31.29 30.60 2k9j h VAL 969 CO -0.01 0.42 0.32 0.25 -1.01 0.00 0.00 177.57 177.54 2k9j h LEU 970 N 0.54 0.89 -0.47 3.16 5.85 -1.07 -2.51 115.31 121.69 2k9j h LEU 970 Ca 0.08 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 2k9j h LEU 970 Cb 0.69 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2k9j h LEU 970 CO 0.05 0.77 0.14 0.58 -0.34 0.00 0.00 178.44 179.64 2k9j h VAL 971 N 0.94 1.23 -0.69 1.05 2.07 -0.80 -2.72 116.25 117.32 2k9j h VAL 971 Ca 0.23 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.99 2k9j h VAL 971 Cb 0.13 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2k9j h VAL 971 CO -0.03 0.28 0.45 1.23 0.02 0.00 0.00 177.57 179.52 2k9j h GLY 972 N 0.62 0.97 1.07 2.17 0.00 -1.15 -0.39 103.07 106.36 2k9j h GLY 972 Ca 0.15 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 2k9j h GLY 972 CO -0.00 0.36 0.12 -0.39 0.00 0.00 0.00 176.54 176.62 2k9j h VAL 973 N 0.94 1.26 -0.71 4.60 -1.51 -1.40 -2.15 116.25 117.28 2k9j h VAL 973 Ca 0.25 -1.04 -0.03 0.00 -1.23 0.00 0.00 66.70 64.65 2k9j h VAL 973 Cb -0.10 0.62 -0.03 0.00 -2.13 0.00 0.00 31.29 29.64 2k9j h VAL 973 CO -0.05 0.39 0.31 -0.07 -1.23 0.00 0.00 177.57 176.92 2k9j h LEU 974 N 1.05 0.96 -2.09 4.19 3.38 -1.14 -1.74 115.31 119.92 2k9j h LEU 974 Ca 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2k9j h LEU 974 Cb 0.44 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2k9j h LEU 974 CO 0.01 0.85 -0.07 1.23 0.09 0.00 0.00 178.44 180.55 2k9j h GLY 975 N 1.00 0.00 0.93 0.83 0.00 -0.72 -2.35 103.07 102.77 2k9j h GLY 975 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.59 2k9j h GLY 975 CO -0.02 0.00 0.62 -1.33 0.00 0.00 0.00 176.54 175.81 2k9j h GLY 976 N 0.37 1.36 1.00 4.60 0.00 -0.66 -0.53 103.07 109.21 2k9j h GLY 976 Ca -0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 2k9j h GLY 976 CO 0.01 0.44 0.30 -2.00 0.00 0.00 0.00 176.54 175.29 2k9j h LEU 977 N 1.23 0.85 -0.70 3.11 5.85 -1.47 -1.62 115.31 122.56 2k9j h LEU 977 Ca 0.36 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 2k9j h LEU 977 Cb -0.06 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 2k9j h LEU 977 CO -0.10 0.75 0.28 -0.07 -0.34 0.00 0.00 178.44 178.96 2k9j h LEU 978 N 0.89 0.96 -0.66 2.25 4.07 -1.40 -0.85 115.31 120.57 2k9j h LEU 978 Ca 0.22 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 2k9j h LEU 978 Cb 0.13 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 2k9j h LEU 978 CO -0.03 0.87 0.30 -0.07 -1.08 0.00 0.00 178.44 178.43 2k9j h LEU 979 N 0.99 0.88 -0.61 1.67 3.38 -0.75 -0.75 115.31 120.12 2k9j h LEU 979 Ca 0.23 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2k9j h LEU 979 Cb 0.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2k9j h LEU 979 CO -0.02 0.77 -0.02 0.25 0.09 0.00 0.00 178.44 179.52 2k9j h LEU 980 N 0.92 1.06 -0.42 1.67 5.85 -1.06 -2.12 115.31 121.21 2k9j h LEU 980 Ca 0.22 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 2k9j h LEU 980 Cb 0.14 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2k9j h LEU 980 CO -0.03 1.12 0.10 0.74 -0.34 0.00 0.00 178.44 180.04 2k9j h THR 981 N 0.98 1.23 -0.44 1.05 2.02 -0.76 -0.12 112.91 116.87 2k9j h THR 981 Ca 0.17 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 2k9j h THR 981 Cb 0.59 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2k9j h THR 981 CO 0.03 0.28 0.22 0.40 0.37 0.00 0.00 175.52 176.82 2k9j h ILE 982 N 0.54 1.17 -0.68 3.11 2.04 -1.05 0.19 117.51 122.84 2k9j h ILE 982 Ca 0.13 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 2k9j h ILE 982 Cb 0.31 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2k9j h ILE 982 CO 0.00 0.19 0.27 -0.07 0.00 0.00 0.00 178.15 178.54 2k9j h LEU 983 N 0.57 0.93 -0.48 1.44 3.38 -1.26 -2.15 115.31 117.75 2k9j h LEU 983 Ca 0.15 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2k9j h LEU 983 Cb 0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2k9j h LEU 983 CO -0.02 0.85 0.13 0.58 0.09 0.00 0.00 178.44 180.07 2k9j h VAL 984 N 0.96 1.23 -0.58 1.22 2.07 -0.64 -2.26 116.25 118.25 2k9j h VAL 984 Ca 0.22 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2k9j h VAL 984 Cb 0.21 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2k9j h VAL 984 CO -0.02 0.29 0.33 0.25 0.02 0.00 0.00 177.57 178.44 2k9j h LEU 985 N 0.65 0.72 -0.51 2.57 5.85 -0.39 0.29 115.31 124.48 2k9j h LEU 985 Ca 0.15 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2k9j h LEU 985 Cb 0.30 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2k9j h LEU 985 CO -0.00 0.60 0.24 0.00 -0.34 0.00 0.00 178.44 178.94 2k9j h ALA 986 N 1.15 0.67 -0.58 1.25 0.00 -1.28 -1.39 119.26 119.08 2k9j h ALA 986 Ca 0.21 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2k9j h ALA 986 Cb 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2k9j h ALA 986 CO -0.03 0.24 -0.06 0.52 0.00 0.00 0.00 179.25 179.92 2k9j h MET 987 N 0.69 1.06 -0.95 0.00 2.86 -1.08 -2.79 114.93 114.72 2k9j h MET 987 Ca 0.18 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2k9j h MET 987 Cb 0.14 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 2k9j h MET 987 CO -0.02 1.06 0.59 2.35 1.06 0.00 0.00 176.91 181.96 2k9j h TRP 988 N 0.95 1.23 0.00 -0.22 7.01 -0.15 0.75 115.95 125.51 2k9j h TRP 988 Ca 0.16 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.17 2k9j h TRP 988 Cb 0.62 -0.41 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 2k9j h TRP 988 CO 0.04 0.80 0.00 1.63 -2.79 0.00 0.00 178.44 178.12 2k9j n LYS 989 N -4.37 0.10 0.02 2.65 4.76 -0.55 -1.46 118.16 119.32 2k9j n LYS 989 Ca 0.11 0.34 0.12 0.00 -2.87 0.00 0.00 58.31 56.00 2k9j n LYS 989 Cb 0.04 -1.68 0.15 0.00 -1.84 0.00 0.00 35.03 31.69 2k9j n LYS 989 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2k9j n VAL 990 N -1.87 0.15 -0.68 -0.18 0.31 0.23 -4.94 118.33 111.35 2k9j n VAL 990 Ca 0.03 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2k9j n VAL 990 Cb 0.20 0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 2k9j n VAL 990 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k9j n GLY 991 N 1.42 0.64 0.28 2.92 0.00 -0.53 -4.95 105.19 104.96 2k9j n GLY 991 Ca 0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 2k9j n GLY 991 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2k9j h PHE 992 N 0.00 0.90 -0.01 1.61 3.57 -1.71 -1.84 116.94 119.46 2k9j h PHE 992 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2k9j h PHE 992 Cb 0.00 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.45 2k9j h PHE 992 CO 0.00 0.63 -0.14 1.19 -2.23 0.00 0.00 178.31 177.76 2k9j n PHE 993 N -4.54 0.00 -3.74 0.41 3.72 -1.26 -4.77 117.46 107.27 2k9j n PHE 993 Ca 0.05 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.09 2k9j n PHE 993 Cb 0.07 -0.11 -0.11 0.00 -0.94 0.00 0.00 39.48 38.40 2k9j n PHE 993 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2k9j s LYS 994 N -2.35 3.93 0.01 -1.08 2.20 -0.69 -5.07 119.74 116.69 2k9j s LYS 994 Ca 0.30 -0.34 -0.02 0.00 -0.36 0.00 0.00 55.97 55.55 2k9j s LYS 994 Cb 0.20 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 33.06 2k9j s LYS 994 CO 0.45 0.00 0.02 0.50 -0.36 0.00 0.00 175.35 175.96 2k9j s ARG 995 N 1.18 0.35 -0.43 4.03 3.52 -1.26 -4.88 118.95 121.46 2k9j s ARG 995 Ca 0.06 -0.52 -0.26 0.00 -0.13 0.00 0.00 55.73 54.88 2k9j s ARG 995 Cb -0.14 0.13 0.02 0.00 -1.56 0.00 0.00 34.95 33.40 2k9j s ARG 995 CO 0.05 -0.07 0.94 1.21 -0.81 0.00 0.00 175.30 176.62 2k9j s ASN 996 N -1.37 6.57 0.27 -2.12 2.47 -1.26 -5.02 114.94 114.48 2k9j s ASN 996 Ca -0.15 0.29 0.09 0.00 0.42 0.00 0.00 52.86 53.51 2k9j s ASN 996 Cb -0.09 -2.46 -0.04 0.00 -1.45 0.00 0.00 41.25 37.21 2k9j s ASN 996 CO -0.00 -1.00 0.09 0.00 -3.72 0.00 0.00 177.10 172.47 2k9j s ARG 997 N 3.71 2.52 0.00 0.43 1.70 -1.26 -5.34 118.95 120.71 2k9j s ARG 997 Ca 0.38 -1.32 0.13 0.00 -0.47 0.00 0.00 55.73 54.45 2k9j s ARG 997 Cb -0.10 -2.30 0.78 0.00 -0.57 0.00 0.00 34.95 32.76 2k9j s ARG 997 CO 0.24 0.33 1.21 -0.35 -1.08 0.00 0.00 175.30 175.65