#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 3.22 -0.14 4.61 0.00 -1.26 -5.02 121.76 123.17 2k9j s ALA 958 Ca 0.00 1.14 -0.02 0.00 0.00 0.00 0.00 51.96 53.07 2k9j s ALA 958 Cb 0.00 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 2k9j s ALA 958 CO 0.00 -0.72 -0.06 -0.51 0.00 0.00 0.00 175.76 174.47 2k9j s LEU 959 N -2.44 3.12 -0.17 0.00 1.43 -1.26 -5.10 118.68 114.26 2k9j s LEU 959 Ca 0.57 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.48 2k9j s LEU 959 Cb -0.35 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 2k9j s LEU 959 CO 0.45 0.19 -0.07 -1.61 0.23 0.00 0.00 176.35 175.54 2k9j s GLU 960 N 0.22 3.45 -0.06 1.70 2.02 -1.26 -5.09 118.70 119.68 2k9j s GLU 960 Ca -0.04 -0.62 0.04 0.00 0.02 0.00 0.00 54.97 54.37 2k9j s GLU 960 Cb -0.14 -2.86 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 2k9j s GLU 960 CO 0.03 0.04 -0.20 -1.21 0.02 0.00 0.00 175.26 173.95 2k9j s GLU 961 N 0.83 2.64 0.21 1.61 2.02 -1.26 -5.02 118.70 119.74 2k9j s GLU 961 Ca -0.02 -0.81 -0.07 0.00 0.02 0.00 0.00 54.97 54.09 2k9j s GLU 961 Cb -0.15 -2.29 0.16 0.00 0.10 0.00 0.00 34.13 31.95 2k9j s GLU 961 CO 0.01 0.44 1.74 0.00 0.02 0.00 0.00 175.26 177.46 2k9j h ARG 962 N 5.92 1.10 -6.89 1.61 3.08 -2.02 -3.38 114.38 113.81 2k9j h ARG 962 Ca -0.36 -0.26 -0.52 0.00 0.07 0.00 0.00 59.98 58.91 2k9j h ARG 962 Cb 1.17 -0.15 0.06 0.00 0.08 0.00 0.00 29.97 31.13 2k9j h ARG 962 CO 0.49 0.97 0.60 0.00 -1.07 0.00 0.00 179.97 180.97 2k9j s ALA 963 N -5.31 3.41 -0.51 0.04 0.00 -1.26 -3.82 121.76 114.31 2k9j s ALA 963 Ca -0.12 1.19 -0.03 0.00 0.00 0.00 0.00 51.96 53.00 2k9j s ALA 963 Cb 0.15 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2k9j s ALA 963 CO 0.84 -0.62 0.35 1.51 0.00 0.00 0.00 175.76 177.84 2k9j n ILE 964 N 0.63 -1.77 -1.80 0.00 3.06 -1.26 -4.80 119.36 113.42 2k9j n ILE 964 Ca 0.01 -0.06 -0.39 0.00 -2.50 0.00 0.00 62.75 59.81 2k9j n ILE 964 Cb 0.43 -1.57 0.02 0.00 0.54 0.00 0.00 39.64 39.07 2k9j n ILE 964 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 2k9j s PRO 965 N -4.14 3.57 0.48 9.51 0.02 -1.25 -4.90 135.00 138.29 2k9j s PRO 965 Ca 0.05 2.37 0.24 0.00 0.02 0.00 0.00 61.00 63.68 2k9j s PRO 965 Cb -0.03 -2.57 1.21 0.00 0.02 0.00 0.00 34.50 33.14 2k9j s PRO 965 CO 0.52 -0.90 1.98 0.97 -0.33 0.00 0.00 177.00 179.24 2k9j h ILE 966 N 2.11 0.68 -0.93 2.83 2.10 -1.87 -3.00 117.51 119.43 2k9j h ILE 966 Ca -0.51 -0.78 0.07 0.00 1.08 0.00 0.00 64.86 64.72 2k9j h ILE 966 Cb 1.27 1.49 -0.06 0.00 -1.09 0.00 0.00 36.82 38.43 2k9j h ILE 966 CO 0.60 0.18 0.61 -0.50 -1.08 0.00 0.00 178.15 177.96 2k9j h TRP 967 N 0.00 1.09 -0.75 2.19 4.06 -1.98 -1.22 115.95 119.34 2k9j h TRP 967 Ca -0.00 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.96 2k9j h TRP 967 Cb 0.48 -0.36 -0.04 0.00 -1.00 0.00 0.00 29.16 28.25 2k9j h TRP 967 CO 0.00 0.56 0.40 -1.49 -3.56 0.00 0.00 178.44 174.35 2k9j h TRP 968 N 1.06 1.04 -0.42 0.49 4.06 -1.91 0.17 115.95 120.43 2k9j h TRP 968 Ca 0.40 -0.03 -0.04 0.00 2.06 0.00 0.00 58.89 61.29 2k9j h TRP 968 Cb 0.21 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 28.02 2k9j h TRP 968 CO -0.00 0.74 0.12 0.28 -3.56 0.00 0.00 178.44 176.02 2k9j h VAL 969 N 1.04 1.22 -0.68 1.49 2.07 -1.49 -1.08 116.25 118.82 2k9j h VAL 969 Ca 0.26 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 2k9j h VAL 969 Cb 0.05 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2k9j h VAL 969 CO -0.04 0.26 0.33 0.25 0.02 0.00 0.00 177.57 178.39 2k9j h LEU 970 N 0.54 0.89 -0.43 2.57 5.85 -0.84 -0.61 115.31 123.29 2k9j h LEU 970 Ca 0.13 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2k9j h LEU 970 Cb 0.28 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2k9j h LEU 970 CO -0.00 0.78 0.22 0.58 -0.34 0.00 0.00 178.44 179.68 2k9j h VAL 971 N 0.95 1.17 -0.79 1.05 2.07 -0.43 -0.41 116.25 119.85 2k9j h VAL 971 Ca 0.23 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 2k9j h VAL 971 Cb 0.12 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2k9j h VAL 971 CO -0.03 0.18 0.33 1.23 0.02 0.00 0.00 177.57 179.30 2k9j h GLY 972 N 0.56 1.26 0.95 2.17 0.00 -0.90 -0.91 103.07 106.19 2k9j h GLY 972 Ca 0.15 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 2k9j h GLY 972 CO -0.02 0.63 0.16 -2.08 0.00 0.00 0.00 176.54 175.23 2k9j h VAL 973 N 1.15 1.20 -0.59 4.60 2.07 -0.72 0.07 116.25 124.04 2k9j h VAL 973 Ca 0.27 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2k9j h VAL 973 Cb 0.19 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2k9j h VAL 973 CO -0.03 0.23 0.29 0.25 0.02 0.00 0.00 177.57 178.33 2k9j h LEU 974 N 0.54 0.76 -1.18 2.57 5.85 -0.75 -2.16 115.31 120.94 2k9j h LEU 974 Ca 0.14 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2k9j h LEU 974 Cb 0.20 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2k9j h LEU 974 CO -0.01 0.67 0.01 1.23 -0.34 0.00 0.00 178.44 180.00 2k9j h GLY 975 N 0.80 0.62 1.62 3.75 0.00 -0.93 -2.30 103.07 106.62 2k9j h GLY 975 Ca 0.20 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 2k9j h GLY 975 CO -0.03 0.34 0.06 -1.33 0.00 0.00 0.00 176.54 175.58 2k9j h GLY 976 N 0.86 0.53 1.01 4.60 0.00 -0.37 -2.39 103.07 107.31 2k9j h GLY 976 Ca 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2k9j h GLY 976 CO 0.01 0.26 0.36 -2.00 0.00 0.00 0.00 176.54 175.18 2k9j h LEU 977 N 0.48 0.90 -0.84 3.11 5.85 -0.91 -2.01 115.31 121.90 2k9j h LEU 977 Ca 0.11 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 2k9j h LEU 977 Cb 0.23 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2k9j h LEU 977 CO 0.00 0.76 0.39 -0.07 -0.34 0.00 0.00 178.44 179.18 2k9j h LEU 978 N 0.98 1.10 -0.52 2.25 -0.00 -1.42 -1.53 115.31 116.17 2k9j h LEU 978 Ca 0.25 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2k9j h LEU 978 Cb 0.08 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.43 2k9j h LEU 978 CO -0.04 0.94 0.31 0.25 -0.00 0.00 0.00 178.44 179.90 2k9j h LEU 979 N 1.19 0.63 -0.60 1.67 5.85 -1.07 0.28 115.31 123.26 2k9j h LEU 979 Ca 0.29 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 2k9j h LEU 979 Cb 0.13 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2k9j h LEU 979 CO -0.03 0.51 0.20 0.25 -0.34 0.00 0.00 178.44 179.02 2k9j h LEU 980 N 0.70 0.87 -0.41 2.25 5.85 -1.09 -2.38 115.31 121.09 2k9j h LEU 980 Ca 0.19 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2k9j h LEU 980 Cb -0.01 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 2k9j h LEU 980 CO -0.03 0.83 0.18 0.74 -0.34 0.00 0.00 178.44 179.82 2k9j h THR 981 N 0.85 1.19 -0.52 1.05 2.02 -0.83 -1.49 112.91 115.19 2k9j h THR 981 Ca 0.20 -0.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 2k9j h THR 981 Cb 0.26 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2k9j h THR 981 CO -0.01 0.21 0.20 0.40 0.37 0.00 0.00 175.52 176.69 2k9j h ILE 982 N 0.52 1.22 -0.64 3.11 1.08 -0.84 0.16 117.51 122.12 2k9j h ILE 982 Ca 0.14 -0.69 -0.03 0.00 -0.39 0.00 0.00 64.86 63.90 2k9j h ILE 982 Cb 0.16 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 2k9j h ILE 982 CO -0.01 0.26 0.29 -0.07 -0.69 0.00 0.00 178.15 177.92 2k9j h LEU 983 N 0.69 0.85 -0.43 1.44 3.38 -1.32 -1.00 115.31 118.91 2k9j h LEU 983 Ca 0.17 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2k9j h LEU 983 Cb 0.21 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2k9j h LEU 983 CO -0.01 0.76 0.11 0.58 0.09 0.00 0.00 178.44 179.96 2k9j h VAL 984 N 0.88 1.23 -0.59 1.22 2.07 -0.97 -2.21 116.25 117.87 2k9j h VAL 984 Ca 0.22 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2k9j h VAL 984 Cb 0.15 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2k9j h VAL 984 CO -0.02 0.28 0.30 0.25 0.02 0.00 0.00 177.57 178.40 2k9j h LEU 985 N 0.56 0.76 -0.70 2.57 5.85 -0.38 -0.36 115.31 123.62 2k9j h LEU 985 Ca 0.14 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2k9j h LEU 985 Cb 0.31 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2k9j h LEU 985 CO 0.00 0.66 0.24 0.00 -0.34 0.00 0.00 178.44 179.00 2k9j h ALA 986 N 1.13 0.91 -0.62 1.25 0.00 -1.09 -1.67 119.26 119.17 2k9j h ALA 986 Ca 0.21 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2k9j h ALA 986 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2k9j h ALA 986 CO -0.03 0.57 0.06 0.52 0.00 0.00 0.00 179.25 180.37 2k9j h MET 987 N 1.01 1.06 -0.69 0.00 2.86 -1.09 -2.88 114.93 115.21 2k9j h MET 987 Ca 0.23 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 2k9j h MET 987 Cb 0.27 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2k9j h MET 987 CO -0.01 1.01 0.24 2.35 1.06 0.00 0.00 176.91 181.56 2k9j h TRP 988 N 0.97 1.06 0.00 -0.22 7.01 -0.78 -2.68 115.95 121.30 2k9j h TRP 988 Ca 0.18 -0.08 0.00 0.00 2.11 0.00 0.00 58.89 61.10 2k9j h TRP 988 Cb 0.49 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 2k9j h TRP 988 CO 0.04 0.83 0.00 1.63 -2.79 0.00 0.00 178.44 178.14 2k9j n LYS 989 N -4.28 0.12 0.00 2.65 4.76 -0.65 -1.95 118.16 118.80 2k9j n LYS 989 Ca 0.06 0.44 0.13 0.00 -2.87 0.00 0.00 58.31 56.06 2k9j n LYS 989 Cb 0.20 -1.76 0.29 0.00 -1.84 0.00 0.00 35.03 31.92 2k9j n LYS 989 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2k9j n VAL 990 N -1.99 0.00 -0.79 -0.18 0.24 -1.01 -4.92 118.33 109.67 2k9j n VAL 990 Ca 0.01 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 2k9j n VAL 990 Cb 0.15 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 2k9j n VAL 990 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k9j n GLY 991 N 1.32 0.60 0.26 7.63 0.00 -0.82 -4.94 105.19 109.24 2k9j n GLY 991 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 0.86 -0.01 1.61 3.57 -1.75 -2.30 116.94 118.92 2k9j h PHE 992 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2k9j h PHE 992 Cb 0.00 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.46 2k9j h PHE 992 CO 0.00 0.61 -0.10 1.19 -2.23 0.00 0.00 178.31 177.78 2k9j n PHE 993 N -4.56 0.00 -3.18 0.41 3.72 -1.26 -4.79 117.46 107.80 2k9j n PHE 993 Ca 0.05 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.05 2k9j n PHE 993 Cb 0.08 -0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 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 -2.26 4.20 0.00 -1.08 2.20 -0.87 -5.05 119.74 116.89 2k9j s LYS 994 Ca 0.33 0.52 -0.01 0.00 -0.36 0.00 0.00 55.97 56.44 2k9j s LYS 994 Cb 0.20 -3.57 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 2k9j s LYS 994 CO 0.43 -0.19 0.02 0.50 -0.36 0.00 0.00 175.35 175.74 2k9j s ARG 995 N 1.77 0.18 -0.44 4.03 3.52 -1.26 -4.97 118.95 121.78 2k9j s ARG 995 Ca 0.26 -0.24 -0.26 0.00 -0.13 0.00 0.00 55.73 55.36 2k9j s ARG 995 Cb -0.16 0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.33 2k9j s ARG 995 CO 0.10 -0.03 0.94 1.21 -0.81 0.00 0.00 175.30 176.71 2k9j s ASN 996 N -0.67 6.55 0.26 -2.12 3.84 -1.26 -5.02 114.94 116.52 2k9j s ASN 996 Ca -0.07 0.26 0.06 0.00 0.21 0.00 0.00 52.86 53.32 2k9j s ASN 996 Cb -0.05 -2.46 -0.03 0.00 -0.55 0.00 0.00 41.25 38.16 2k9j s ASN 996 CO -0.00 -1.02 0.30 0.00 -2.79 0.00 0.00 177.10 173.58 2k9j s ARG 997 N 3.75 3.17 0.00 0.43 1.70 -1.26 -5.34 118.95 121.39 2k9j s ARG 997 Ca 0.38 -0.93 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 2k9j s ARG 997 Cb -0.10 -2.73 0.00 0.00 -0.57 0.00 0.00 34.95 31.55 2k9j s ARG 997 CO 0.25 0.38 0.00 -2.30 -1.08 0.00 0.00 175.30 172.55