#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 -0.14 4.61 0.00 -1.26 -5.16 121.76 118.98 2k9j s ALA 958 Ca 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 2k9j s ALA 958 Cb 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 2k9j s ALA 958 CO 0.00 -0.33 -0.06 -0.51 0.00 0.00 0.00 175.76 174.85 2k9j s LEU 959 N -1.62 3.12 0.25 0.00 1.43 -1.26 -5.00 118.68 115.59 2k9j s LEU 959 Ca -0.10 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 2k9j s LEU 959 Cb -0.03 -1.73 0.32 0.00 0.03 0.00 0.00 46.19 44.77 2k9j s LEU 959 CO 0.02 0.19 1.72 -0.33 0.23 0.00 0.00 176.35 178.18 2k9j h GLU 960 N 6.53 0.73 -0.71 1.70 4.39 -2.04 -2.94 114.58 122.24 2k9j h GLU 960 Ca -0.32 -0.23 -0.07 0.00 0.34 0.00 0.00 59.36 59.08 2k9j h GLU 960 Cb 1.19 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 2k9j h GLU 960 CO 0.60 0.81 0.17 0.93 -1.16 0.00 0.00 179.01 180.35 2k9j h GLU 961 N 0.67 1.15 -5.59 2.33 3.07 -2.08 -3.42 114.58 110.70 2k9j h GLU 961 Ca 0.12 -0.28 -0.65 0.00 -0.50 0.00 0.00 59.36 58.05 2k9j h GLU 961 Cb 0.55 -0.15 -0.11 0.00 -0.84 0.00 0.00 28.75 28.20 2k9j h GLU 961 CO 0.03 1.01 -0.52 1.03 -1.40 0.00 0.00 179.01 179.16 2k9j s ARG 962 N -5.30 3.55 0.01 2.33 0.52 -1.11 -5.10 118.95 113.86 2k9j s ARG 962 Ca -0.12 -0.24 -0.15 0.00 -0.52 0.00 0.00 55.73 54.70 2k9j s ARG 962 Cb 0.15 -3.15 0.03 0.00 0.52 0.00 0.00 34.95 32.50 2k9j s ARG 962 CO 0.85 0.61 0.34 0.00 0.02 0.00 0.00 175.30 177.11 2k9j s ALA 963 N -0.56 -0.81 -0.49 2.13 0.00 -1.26 -4.41 121.76 116.36 2k9j s ALA 963 Ca 0.12 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.37 2k9j s ALA 963 Cb -0.12 0.21 0.20 0.00 0.00 0.00 0.00 23.12 23.40 2k9j s ALA 963 CO 0.02 -0.35 0.45 0.44 0.00 0.00 0.00 175.76 176.32 2k9j n ILE 964 N 0.88 -0.19 -1.79 0.00 -5.35 -1.26 -5.12 119.36 106.53 2k9j n ILE 964 Ca -0.20 -4.01 -0.39 0.00 -0.27 0.00 0.00 62.75 57.88 2k9j n ILE 964 Cb 0.58 -1.87 0.03 0.00 -1.74 0.00 0.00 39.64 36.64 2k9j n ILE 964 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 2k9j s PRO 965 N -0.76 3.44 0.48 6.28 0.02 -1.26 -4.91 135.00 138.29 2k9j s PRO 965 Ca 0.32 2.34 0.26 0.00 0.02 0.00 0.00 61.00 63.94 2k9j s PRO 965 Cb 0.06 -2.48 1.21 0.00 0.02 0.00 0.00 34.50 33.31 2k9j s PRO 965 CO -0.16 -0.98 1.96 0.97 -0.33 0.00 0.00 177.00 178.46 2k9j h ILE 966 N 1.93 0.57 -0.88 2.83 2.10 -2.02 -3.11 117.51 118.93 2k9j h ILE 966 Ca -0.51 -0.81 0.09 0.00 1.08 0.00 0.00 64.86 64.71 2k9j h ILE 966 Cb 1.28 1.54 -0.06 0.00 -1.09 0.00 0.00 36.82 38.49 2k9j h ILE 966 CO 0.59 0.17 0.57 -0.50 -1.08 0.00 0.00 178.15 177.90 2k9j h TRP 967 N 0.00 0.95 -0.85 2.19 4.06 -1.99 -1.23 115.95 119.08 2k9j h TRP 967 Ca -0.00 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.99 2k9j h TRP 967 Cb 0.52 -0.31 -0.05 0.00 -1.00 0.00 0.00 29.16 28.33 2k9j h TRP 967 CO 0.00 0.46 0.56 -1.49 -3.56 0.00 0.00 178.44 174.41 2k9j h TRP 968 N 0.90 1.06 -0.45 0.49 4.06 -1.94 0.87 115.95 120.94 2k9j h TRP 968 Ca 0.40 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 61.33 2k9j h TRP 968 Cb 0.35 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 2k9j h TRP 968 CO -0.00 0.65 0.10 0.28 -3.56 0.00 0.00 178.44 175.91 2k9j h VAL 969 N 1.13 1.24 -0.72 1.49 2.07 -1.44 -2.04 116.25 117.98 2k9j h VAL 969 Ca 0.32 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2k9j h VAL 969 Cb -0.09 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2k9j h VAL 969 CO -0.08 0.29 0.38 0.25 0.02 0.00 0.00 177.57 178.43 2k9j h LEU 970 N 0.60 0.92 -0.42 2.57 5.85 -0.70 -0.38 115.31 123.75 2k9j h LEU 970 Ca 0.14 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2k9j h LEU 970 Cb 0.33 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2k9j h LEU 970 CO 0.00 0.77 0.24 0.58 -0.34 0.00 0.00 178.44 179.68 2k9j h VAL 971 N 1.00 1.15 -0.60 1.05 2.07 -0.64 -0.67 116.25 119.61 2k9j h VAL 971 Ca 0.25 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2k9j h VAL 971 Cb 0.07 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2k9j h VAL 971 CO -0.04 0.16 0.17 1.23 0.02 0.00 0.00 177.57 179.11 2k9j h GLY 972 N 0.55 0.98 0.96 2.17 0.00 -1.04 -1.82 103.07 104.87 2k9j h GLY 972 Ca 0.15 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 2k9j h GLY 972 CO -0.02 0.53 0.19 -2.08 0.00 0.00 0.00 176.54 175.15 2k9j h VAL 973 N 0.88 1.20 -0.69 4.60 2.07 -0.56 -1.71 116.25 122.04 2k9j h VAL 973 Ca 0.20 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2k9j h VAL 973 Cb 0.28 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2k9j h VAL 973 CO -0.01 0.23 0.35 0.25 0.02 0.00 0.00 177.57 178.42 2k9j h LEU 974 N 0.59 0.89 -1.96 2.57 5.85 -0.83 -1.49 115.31 120.94 2k9j h LEU 974 Ca 0.15 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2k9j h LEU 974 Cb 0.18 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 2k9j h LEU 974 CO -0.01 0.76 -0.09 1.23 -0.34 0.00 0.00 178.44 179.99 2k9j h GLY 975 N 0.96 0.00 1.57 3.75 0.00 -1.04 -1.93 103.07 106.39 2k9j h GLY 975 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 2k9j h GLY 975 CO -0.03 0.00 0.21 -1.33 0.00 0.00 0.00 176.54 175.38 2k9j h GLY 976 N 0.34 0.61 1.03 4.60 0.00 -0.33 -1.99 103.07 107.32 2k9j h GLY 976 Ca -0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2k9j h GLY 976 CO 0.01 0.25 0.36 1.41 0.00 0.00 0.00 176.54 178.58 2k9j h LEU 977 N 0.57 1.03 -0.72 3.11 4.07 -1.34 -2.12 115.31 119.91 2k9j h LEU 977 Ca 0.15 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 2k9j h LEU 977 Cb 0.05 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.49 2k9j h LEU 977 CO -0.02 0.88 0.35 0.25 -1.08 0.00 0.00 178.44 178.82 2k9j h LEU 978 N 1.10 0.93 -0.52 1.67 5.85 -1.45 -1.62 115.31 121.28 2k9j h LEU 978 Ca 0.27 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2k9j h LEU 978 Cb 0.13 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2k9j h LEU 978 CO -0.03 0.80 0.29 0.25 -0.34 0.00 0.00 178.44 179.40 2k9j h LEU 979 N 1.00 0.65 -0.72 2.25 6.46 -1.10 -1.43 115.31 122.41 2k9j h LEU 979 Ca 0.25 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 2k9j h LEU 979 Cb 0.10 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 2k9j h LEU 979 CO -0.03 0.55 0.32 0.25 -0.62 0.00 0.00 178.44 178.90 2k9j h LEU 980 N 0.70 0.98 -0.56 2.25 5.85 -1.13 -2.84 115.31 120.55 2k9j h LEU 980 Ca 0.18 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2k9j h LEU 980 Cb 0.04 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2k9j h LEU 980 CO -0.03 0.86 0.31 0.74 -0.34 0.00 0.00 178.44 179.99 2k9j h THR 981 N 1.03 1.18 -0.45 1.05 2.02 -0.90 -1.85 112.91 114.99 2k9j h THR 981 Ca 0.24 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 2k9j h THR 981 Cb 0.17 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2k9j h THR 981 CO -0.02 0.20 0.21 0.40 0.37 0.00 0.00 175.52 176.67 2k9j h ILE 982 N 0.76 1.19 -0.71 3.11 2.04 -1.07 -0.77 117.51 122.06 2k9j h ILE 982 Ca 0.20 -0.55 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 2k9j h ILE 982 Cb 0.03 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2k9j h ILE 982 CO -0.03 0.21 0.25 -0.07 0.00 0.00 0.00 178.15 178.51 2k9j h LEU 983 N 0.58 1.01 -0.48 1.44 4.07 -1.41 -2.01 115.31 118.51 2k9j h LEU 983 Ca 0.15 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 2k9j h LEU 983 Cb 0.14 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 2k9j h LEU 983 CO -0.02 0.93 0.25 0.58 -1.08 0.00 0.00 178.44 179.10 2k9j h VAL 984 N 1.03 1.18 -0.69 1.22 2.07 -1.04 -1.67 116.25 118.35 2k9j h VAL 984 Ca 0.23 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2k9j h VAL 984 Cb 0.26 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2k9j h VAL 984 CO -0.01 0.19 0.32 -0.07 0.02 0.00 0.00 177.57 178.02 2k9j h LEU 985 N 0.63 0.91 -0.70 2.57 3.38 -0.93 -0.29 115.31 120.88 2k9j h LEU 985 Ca 0.17 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2k9j h LEU 985 Cb 0.08 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2k9j h LEU 985 CO -0.02 0.79 0.27 0.00 0.09 0.00 0.00 178.44 179.57 2k9j h ALA 986 N 1.15 0.91 -0.45 1.53 0.00 -1.11 -2.49 119.26 118.79 2k9j h ALA 986 Ca 0.23 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2k9j h ALA 986 Cb 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2k9j h ALA 986 CO -0.03 0.53 -0.10 0.52 0.00 0.00 0.00 179.25 180.17 2k9j h MET 987 N 1.00 0.82 -0.95 0.00 2.86 -1.00 -2.61 114.93 115.04 2k9j h MET 987 Ca 0.23 -0.27 0.06 0.00 -2.06 0.00 0.00 59.70 57.66 2k9j h MET 987 Cb 0.22 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.75 2k9j h MET 987 CO -0.02 0.88 0.62 2.35 1.06 0.00 0.00 176.91 181.81 2k9j h TRP 988 N 0.74 1.13 0.00 -0.22 7.01 -0.63 0.35 115.95 124.33 2k9j h TRP 988 Ca 0.13 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.15 2k9j h TRP 988 Cb 0.59 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 2k9j h TRP 988 CO 0.03 0.61 0.00 1.63 -2.79 0.00 0.00 178.44 177.92 2k9j n LYS 989 N -4.48 0.11 0.00 2.65 4.76 -0.98 -2.43 118.16 117.79 2k9j n LYS 989 Ca 0.14 0.17 0.13 0.00 -2.87 0.00 0.00 58.31 55.88 2k9j n LYS 989 Cb 0.16 -1.65 0.40 0.00 -1.84 0.00 0.00 35.03 32.11 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 -1.85 0.00 -0.69 -0.18 0.31 0.12 -4.92 118.33 111.12 2k9j n VAL 990 Ca 0.05 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2k9j n VAL 990 Cb 0.32 0.46 0.00 0.00 -0.91 0.00 0.00 33.84 33.71 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 1.30 0.62 0.28 2.92 0.00 -0.92 -4.95 105.19 104.44 2k9j n GLY 991 Ca 0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 0.93 -0.06 1.61 3.57 -1.57 -2.30 116.94 119.12 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 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.44 2k9j h PHE 992 CO 0.00 0.63 0.00 1.19 -2.23 0.00 0.00 178.31 177.90 2k9j n PHE 993 N -4.53 0.06 -3.79 0.41 3.72 -1.26 -4.83 117.46 107.23 2k9j n PHE 993 Ca 0.06 -0.03 -0.36 0.00 -0.05 0.00 0.00 57.45 57.07 2k9j n PHE 993 Cb 0.06 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.50 2k9j n PHE 993 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2k9j s LYS 994 N -1.94 3.92 -0.00 -1.08 1.02 -0.87 -5.08 119.74 115.71 2k9j s LYS 994 Ca 0.35 -0.35 -0.01 0.00 0.02 0.00 0.00 55.97 55.97 2k9j s LYS 994 Cb 0.20 -3.40 -0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2k9j s LYS 994 CO 0.32 0.03 0.03 0.50 -0.92 0.00 0.00 175.35 175.30 2k9j s ARG 995 N 1.08 0.16 -0.43 1.68 3.52 -1.26 -4.91 118.95 118.78 2k9j s ARG 995 Ca 0.06 -0.18 -0.25 0.00 -0.13 0.00 0.00 55.73 55.22 2k9j s ARG 995 Cb -0.14 0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.34 2k9j s ARG 995 CO 0.04 -0.03 0.92 1.21 -0.81 0.00 0.00 175.30 176.63 2k9j s ASN 996 N -0.53 6.55 0.28 -2.12 3.84 -1.26 -5.02 114.94 116.68 2k9j s ASN 996 Ca -0.06 0.26 0.10 0.00 0.21 0.00 0.00 52.86 53.37 2k9j s ASN 996 Cb -0.04 -2.45 -0.04 0.00 -0.55 0.00 0.00 41.25 38.16 2k9j s ASN 996 CO -0.00 -0.99 -0.02 0.00 -2.79 0.00 0.00 177.10 173.30 2k9j s ARG 997 N 3.66 2.21 0.00 0.43 1.70 -1.26 -5.35 118.95 120.35 2k9j s ARG 997 Ca 0.37 -1.49 0.13 0.00 -0.47 0.00 0.00 55.73 54.28 2k9j s ARG 997 Cb -0.11 -2.10 0.79 0.00 -0.57 0.00 0.00 34.95 32.96 2k9j s ARG 997 CO 0.24 0.33 1.21 -0.35 -1.08 0.00 0.00 175.30 175.65