#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9j h ALA 958 N 0.00 1.16 -3.35 4.61 0.00 -2.08 -3.41 119.26 116.18 2k9j h ALA 958 Ca 0.00 -0.19 -0.65 0.00 0.00 0.00 0.00 54.91 54.07 2k9j h ALA 958 Cb 0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 17.79 17.29 2k9j h ALA 958 CO 0.00 0.59 -0.71 -0.51 0.00 0.00 0.00 179.25 178.62 2k9j s LEU 959 N -9.52 3.01 0.01 0.00 1.43 -1.26 -4.90 118.68 107.46 2k9j s LEU 959 Ca -0.11 -0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2k9j s LEU 959 Cb 0.16 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.68 2k9j s LEU 959 CO 0.82 0.19 0.01 1.21 0.23 0.00 0.00 176.35 178.80 2k9j n GLU 960 N 3.39 -4.36 -1.95 1.70 2.13 -1.26 -4.84 120.64 115.45 2k9j n GLU 960 Ca -0.18 3.16 -0.41 0.00 0.66 0.00 0.00 57.16 60.39 2k9j n GLU 960 Cb 0.53 -4.05 -0.01 0.00 0.27 0.00 0.00 31.44 28.17 2k9j n GLU 960 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2k9j s GLU 961 N -0.50 4.23 0.18 5.31 0.41 -1.26 -2.72 118.70 124.34 2k9j s GLU 961 Ca -0.01 2.39 -0.12 0.00 -0.41 0.00 0.00 54.97 56.83 2k9j s GLU 961 Cb 0.00 -3.04 0.09 0.00 -1.78 0.00 0.00 34.13 29.40 2k9j s GLU 961 CO 0.02 -0.40 1.79 -0.09 -0.49 0.00 0.00 175.26 176.08 2k9j h ARG 962 N 3.79 0.87 -3.49 1.61 2.43 -1.88 -3.45 114.38 114.27 2k9j h ARG 962 Ca -0.49 -0.11 0.18 0.00 -0.81 0.00 0.00 59.98 58.75 2k9j h ARG 962 Cb 1.23 -0.17 -0.10 0.00 -0.42 0.00 0.00 29.97 30.51 2k9j h ARG 962 CO 0.69 0.68 -1.06 0.00 -1.51 0.00 0.00 179.97 178.77 2k9j n ALA 963 N -2.33 -2.85 -3.04 2.80 0.00 -1.26 -4.91 120.51 108.92 2k9j n ALA 963 Ca 0.04 0.69 -0.02 0.00 0.00 0.00 0.00 53.44 54.15 2k9j n ALA 963 Cb 0.10 -1.47 0.01 0.00 0.00 0.00 0.00 19.45 18.09 2k9j n ALA 963 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k9j n ILE 964 N -3.52 -9.79 -1.80 0.00 5.41 -1.26 -4.93 119.36 103.47 2k9j n ILE 964 Ca -0.05 -0.39 -0.39 0.00 1.00 0.00 0.00 62.75 62.91 2k9j n ILE 964 Cb 0.55 -6.78 0.02 0.00 -0.71 0.00 0.00 39.64 32.72 2k9j n ILE 964 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2k9j s PRO 965 N -3.20 3.56 0.57 0.38 0.02 -1.26 -4.90 135.00 130.17 2k9j s PRO 965 Ca 0.07 2.38 0.35 0.00 0.02 0.00 0.00 61.00 63.81 2k9j s PRO 965 Cb -0.01 -2.56 1.58 0.00 0.02 0.00 0.00 34.50 33.53 2k9j s PRO 965 CO 0.73 -0.90 2.07 0.82 -0.33 0.00 0.00 177.00 179.38 2k9j h ILE 966 N 2.10 0.07 -0.77 2.83 2.04 -2.02 -2.99 117.51 118.78 2k9j h ILE 966 Ca -0.51 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 64.99 2k9j h ILE 966 Cb 1.27 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 38.71 2k9j h ILE 966 CO 0.60 0.02 0.51 -0.50 0.00 0.00 0.00 178.15 178.78 2k9j h TRP 967 N 0.00 0.81 -0.94 1.37 4.06 -2.00 -1.81 115.95 117.44 2k9j h TRP 967 Ca -0.00 0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.02 2k9j h TRP 967 Cb 0.40 -0.27 -0.06 0.00 -1.00 0.00 0.00 29.16 28.24 2k9j h TRP 967 CO 0.00 0.42 0.61 -1.49 -3.56 0.00 0.00 178.44 174.41 2k9j h TRP 968 N 0.79 1.13 -0.44 0.49 4.06 -1.91 -1.54 115.95 118.52 2k9j h TRP 968 Ca 0.34 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 61.25 2k9j h TRP 968 Cb 0.30 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 28.07 2k9j h TRP 968 CO -0.00 0.61 0.01 0.28 -3.56 0.00 0.00 178.44 175.78 2k9j h VAL 969 N 1.13 1.26 -0.65 1.49 2.07 -1.54 -2.85 116.25 117.17 2k9j h VAL 969 Ca 0.39 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 2k9j h VAL 969 Cb 0.09 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2k9j h VAL 969 CO -0.15 0.35 0.34 -0.07 0.02 0.00 0.00 177.57 178.07 2k9j h LEU 970 N 0.61 0.82 -0.62 2.57 3.38 -1.02 -0.01 115.31 121.05 2k9j h LEU 970 Ca 0.13 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2k9j h LEU 970 Cb 0.48 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2k9j h LEU 970 CO 0.02 0.69 0.16 -0.37 0.09 0.00 0.00 178.44 179.03 2k9j h VAL 971 N 0.89 1.25 -0.61 1.22 -1.51 -1.30 -0.86 116.25 115.33 2k9j h VAL 971 Ca 0.23 -0.91 -0.06 0.00 -1.23 0.00 0.00 66.70 64.73 2k9j h VAL 971 Cb 0.06 0.66 -0.03 0.00 -2.13 0.00 0.00 31.29 29.86 2k9j h VAL 971 CO -0.03 0.34 0.15 1.23 -1.23 0.00 0.00 177.57 178.02 2k9j h GLY 972 N 0.90 1.03 0.95 5.19 0.00 -1.25 -1.57 103.07 108.33 2k9j h GLY 972 Ca 0.19 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 2k9j h GLY 972 CO 0.00 0.58 0.17 -2.08 0.00 0.00 0.00 176.54 175.21 2k9j h VAL 973 N 0.92 1.21 -0.72 4.60 2.07 -0.56 -2.07 116.25 121.70 2k9j h VAL 973 Ca 0.20 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 2k9j h VAL 973 Cb 0.33 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2k9j h VAL 973 CO 0.00 0.24 0.33 -0.07 0.02 0.00 0.00 177.57 178.09 2k9j h LEU 974 N 0.57 0.95 -1.08 2.57 3.38 -0.86 -2.48 115.31 118.36 2k9j h LEU 974 Ca 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k9j h LEU 974 Cb 0.21 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2k9j h LEU 974 CO -0.01 0.83 0.43 1.23 0.09 0.00 0.00 178.44 181.00 2k9j h GLY 975 N 1.01 1.14 1.24 0.83 0.00 -1.04 -1.79 103.07 104.46 2k9j h GLY 975 Ca 0.24 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 2k9j h GLY 975 CO -0.03 0.48 0.22 -1.33 0.00 0.00 0.00 176.54 175.89 2k9j h GLY 976 N 1.11 1.03 1.00 4.60 0.00 -0.96 -2.10 103.07 107.75 2k9j h GLY 976 Ca 0.27 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2k9j h GLY 976 CO -0.05 0.53 0.27 -2.00 0.00 0.00 0.00 176.54 175.30 2k9j h LEU 977 N 0.93 0.85 -0.81 3.11 5.85 -0.92 -2.45 115.31 121.87 2k9j h LEU 977 Ca 0.21 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2k9j h LEU 977 Cb 0.23 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2k9j h LEU 977 CO -0.01 0.77 0.36 -0.07 -0.34 0.00 0.00 178.44 179.14 2k9j h LEU 978 N 0.87 1.08 -0.44 2.25 4.07 -0.97 -0.98 115.31 121.18 2k9j h LEU 978 Ca 0.21 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 2k9j h LEU 978 Cb 0.17 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 2k9j h LEU 978 CO -0.02 0.93 0.27 0.25 -1.08 0.00 0.00 178.44 178.79 2k9j h LEU 979 N 1.15 0.53 -0.58 1.67 6.46 -1.06 0.74 115.31 124.22 2k9j h LEU 979 Ca 0.27 -0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.94 2k9j h LEU 979 Cb 0.16 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 2k9j h LEU 979 CO -0.03 0.42 0.19 0.25 -0.62 0.00 0.00 178.44 178.65 2k9j h LEU 980 N 0.59 0.85 -0.47 2.25 5.85 -1.19 -2.76 115.31 120.43 2k9j h LEU 980 Ca 0.16 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2k9j h LEU 980 Cb -0.01 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2k9j h LEU 980 CO -0.03 0.82 0.22 0.74 -0.34 0.00 0.00 178.44 179.86 2k9j h THR 981 N 0.82 1.19 -0.48 1.05 2.02 -0.73 -2.05 112.91 114.73 2k9j h THR 981 Ca 0.19 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 2k9j h THR 981 Cb 0.28 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2k9j h THR 981 CO -0.01 0.21 0.21 0.40 0.37 0.00 0.00 175.52 176.70 2k9j h ILE 982 N 0.62 1.20 -0.64 3.11 2.04 -0.76 0.13 117.51 123.22 2k9j h ILE 982 Ca 0.16 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 2k9j h ILE 982 Cb 0.13 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2k9j h ILE 982 CO -0.02 0.23 0.25 -0.07 0.00 0.00 0.00 178.15 178.54 2k9j h LEU 983 N 0.64 0.89 -0.42 1.44 3.38 -1.42 -1.61 115.31 118.21 2k9j h LEU 983 Ca 0.16 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2k9j h LEU 983 Cb 0.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2k9j h LEU 983 CO -0.02 0.82 0.12 0.58 0.09 0.00 0.00 178.44 180.03 2k9j h VAL 984 N 0.90 1.22 -0.54 1.22 2.07 -1.10 -1.61 116.25 118.42 2k9j h VAL 984 Ca 0.21 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2k9j h VAL 984 Cb 0.21 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2k9j h VAL 984 CO -0.02 0.27 0.27 0.25 0.02 0.00 0.00 177.57 178.36 2k9j h LEU 985 N 0.53 0.69 -0.51 2.57 5.85 -0.52 0.24 115.31 124.16 2k9j h LEU 985 Ca 0.13 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 2k9j h LEU 985 Cb 0.29 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2k9j h LEU 985 CO -0.00 0.62 0.08 0.00 -0.34 0.00 0.00 178.44 178.79 2k9j h ALA 986 N 1.11 0.68 -0.63 1.25 0.00 -1.21 -1.47 119.26 118.99 2k9j h ALA 986 Ca 0.19 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2k9j h ALA 986 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2k9j h ALA 986 CO -0.03 0.42 0.11 0.52 0.00 0.00 0.00 179.25 180.28 2k9j h MET 987 N 0.73 1.04 -0.79 0.00 2.86 -1.03 -1.49 114.93 116.25 2k9j h MET 987 Ca 0.16 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 2k9j h MET 987 Cb 0.41 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 2k9j h MET 987 CO 0.01 0.96 0.42 2.35 1.06 0.00 0.00 176.91 181.71 2k9j h TRP 988 N 0.95 1.10 0.00 -0.22 7.01 -0.31 -0.77 115.95 123.71 2k9j h TRP 988 Ca 0.19 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.16 2k9j h TRP 988 Cb 0.42 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 2k9j h TRP 988 CO 0.03 0.78 0.00 1.63 -2.79 0.00 0.00 178.44 178.09 2k9j n LYS 989 N -4.41 0.19 0.07 2.65 4.76 -0.57 -2.35 118.16 118.50 2k9j n LYS 989 Ca 0.07 0.29 0.12 0.00 -2.87 0.00 0.00 58.31 55.92 2k9j n LYS 989 Cb 0.10 -1.78 0.05 0.00 -1.84 0.00 0.00 35.03 31.56 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 -2.12 0.44 -0.68 -0.18 0.31 -0.41 -4.94 118.33 110.76 2k9j n VAL 990 Ca 0.04 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 2k9j n VAL 990 Cb 0.31 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 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 1.26 0.69 0.28 2.92 0.00 -0.53 -4.94 105.19 104.88 2k9j n GLY 991 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 0.94 -0.01 1.61 3.57 -1.64 -1.64 116.94 119.78 2k9j h PHE 992 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 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 0.68 -0.10 1.19 -2.23 0.00 0.00 178.31 177.84 2k9j n PHE 993 N -4.50 0.00 -3.13 0.41 3.72 -1.25 -4.82 117.46 107.88 2k9j n PHE 993 Ca 0.05 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.06 2k9j n PHE 993 Cb 0.10 -0.08 -0.05 0.00 -0.94 0.00 0.00 39.48 38.51 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 -2.25 4.38 0.01 -1.08 2.20 -0.62 -5.05 119.74 117.32 2k9j s LYS 994 Ca 0.33 0.72 -0.00 0.00 -0.36 0.00 0.00 55.97 56.66 2k9j s LYS 994 Cb 0.20 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 33.05 2k9j s LYS 994 CO 0.42 0.05 -0.01 0.50 -0.36 0.00 0.00 175.35 175.95 2k9j s ARG 995 N 0.90 0.17 -0.42 4.03 3.52 -1.26 -4.96 118.95 120.93 2k9j s ARG 995 Ca 0.33 -0.33 -0.26 0.00 -0.13 0.00 0.00 55.73 55.34 2k9j s ARG 995 Cb -0.17 0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.31 2k9j s ARG 995 CO 0.15 -0.03 0.97 -0.80 -0.81 0.00 0.00 175.30 174.78 2k9j s ASN 996 N -0.79 6.61 0.21 -2.12 0.01 -1.26 -5.01 114.94 112.59 2k9j s ASN 996 Ca -0.09 0.39 0.08 0.00 -0.71 0.00 0.00 52.86 52.54 2k9j s ASN 996 Cb -0.05 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 2k9j s ASN 996 CO -0.01 -1.00 -0.02 -0.13 -1.51 0.00 0.00 177.10 174.43 2k9j s ARG 997 N 3.76 2.30 0.00 -0.60 0.52 -1.26 -5.34 118.95 118.33 2k9j s ARG 997 Ca 0.40 -1.26 0.15 0.00 -0.52 0.00 0.00 55.73 54.50 2k9j s ARG 997 Cb -0.10 -2.24 0.92 0.00 0.52 0.00 0.00 34.95 34.05 2k9j s ARG 997 CO 0.24 0.42 1.34 -0.35 0.02 0.00 0.00 175.30 176.96