#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9q s ALA 2 N 0.00 -0.99 -0.31 0.00 0.00 -1.26 -5.04 121.76 114.16 1b9q s ALA 2 Ca 0.00 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.30 1b9q s ALA 2 Cb 0.00 -0.79 0.39 0.00 0.00 0.00 0.00 23.12 22.72 1b9q s ALA 2 CO 0.00 -0.23 1.67 1.33 0.00 0.00 0.00 175.76 178.53 1b9q n VAL 3 N 3.67 2.51 -0.98 0.00 0.24 -1.26 -4.84 118.33 117.68 1b9q n VAL 3 Ca -0.19 -1.37 0.00 0.00 -2.04 0.00 0.00 64.34 60.74 1b9q n VAL 3 Cb 0.56 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 1b9q n VAL 3 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1b9q n GLU 4 N -0.43 -1.50 -4.15 7.34 4.71 -1.26 -2.81 120.64 122.55 1b9q n GLU 4 Ca 0.38 0.37 -0.33 0.00 -0.01 0.00 0.00 57.16 57.58 1b9q n GLU 4 Cb 1.11 -4.56 -0.03 0.00 -1.01 0.00 0.00 31.44 26.96 1b9q n GLU 4 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1b9q n LEU 5 N 0.00 -1.83 0.00 -4.62 4.77 -1.26 -4.62 117.00 109.44 1b9q n LEU 5 Ca 0.00 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 1b9q n LEU 5 Cb 0.37 -2.11 0.00 0.00 -2.33 0.00 0.00 43.42 39.36 1b9q n LEU 5 CO 0.00 0.35 0.00 -1.14 -1.33 0.00 0.00 177.39 175.27 1b9q n ARG 6 N -4.41 0.00 -1.63 3.23 0.63 -1.22 -5.13 116.66 108.14 1b9q n ARG 6 Ca -0.06 0.00 -0.49 0.00 -0.92 0.00 0.00 57.85 56.38 1b9q n ARG 6 Cb 0.56 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.42 1b9q n ARG 6 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1b9q n SER 7 N -1.05 2.44 -4.83 6.15 7.64 -1.12 -4.96 113.62 117.88 1b9q n SER 7 Ca 0.00 1.10 -0.31 0.00 1.01 0.00 0.00 58.87 60.67 1b9q n SER 7 Cb 0.00 -1.32 0.05 0.00 -1.01 0.00 0.00 64.21 61.93 1b9q n SER 7 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1b9q s PRO 8 N 0.69 2.85 0.00 1.43 0.04 -1.26 -4.96 135.00 133.79 1b9q s PRO 8 Ca 0.81 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1b9q s PRO 8 Cb -0.80 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1b9q s PRO 8 CO 0.42 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1b9q n GLY 9 N -2.22 -0.36 0.21 0.56 0.00 -1.26 -4.97 105.19 97.15 1b9q n GLY 9 Ca 0.07 0.44 -0.08 0.00 0.00 0.00 0.00 46.02 46.45 1b9q n GLY 9 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1b9q h ILE 10 N 0.00 1.18 -0.94 -0.61 2.04 -1.99 -2.84 117.51 114.34 1b9q h ILE 10 Ca 0.00 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.40 1b9q h ILE 10 Cb 0.00 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 1b9q h ILE 10 CO 0.00 0.20 0.62 -1.28 0.00 0.00 0.00 178.15 177.69 1b9q h SER 11 N 0.61 1.01 -0.30 1.72 0.87 -1.94 0.35 113.55 115.86 1b9q h SER 11 Ca 0.16 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1b9q h SER 11 Cb 0.11 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1b9q h SER 11 CO -0.02 0.68 0.09 -0.09 -0.53 0.00 0.00 176.83 176.96 1b9q h ARG 12 N 1.16 0.47 0.00 2.24 2.43 -1.89 -2.88 114.38 115.91 1b9q h ARG 12 Ca 0.38 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 59.34 1b9q h ARG 12 Cb 0.06 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1b9q h ARG 12 CO -0.13 0.52 -0.54 0.27 -1.51 0.00 0.00 179.97 178.59 1b9q h PHE 13 N 0.33 0.00 -0.96 2.20 -0.00 -1.23 -3.20 116.94 114.09 1b9q h PHE 13 Ca 0.10 0.00 0.05 0.00 -0.00 0.00 0.00 57.97 58.12 1b9q h PHE 13 Cb 0.25 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 36.14 1b9q h PHE 13 CO 0.01 0.54 0.63 0.00 -0.00 0.00 0.00 178.31 179.48 1b9q h ARG 14 N 0.00 1.12 -0.56 6.09 3.08 -0.11 -1.28 114.38 122.73 1b9q h ARG 14 Ca -0.01 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1b9q h ARG 14 Cb 1.17 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1b9q h ARG 14 CO 0.07 0.74 0.10 0.00 -1.07 0.00 0.00 179.97 179.81 1b9q h ARG 15 N 1.16 0.88 -0.31 0.04 2.47 -1.53 -2.02 114.38 115.07 1b9q h ARG 15 Ca 0.40 -0.20 -0.08 0.00 -1.26 0.00 0.00 59.98 58.83 1b9q h ARG 15 Cb 0.10 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 1b9q h ARG 15 CO -0.14 0.82 -0.15 -0.22 0.56 0.00 0.00 179.97 180.83 1b9q h LYS 16 N 0.84 0.56 -0.41 0.04 1.63 -1.35 -1.28 116.57 116.60 1b9q h LYS 16 Ca 0.18 -0.18 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 1b9q h LYS 16 Cb 0.36 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1b9q h LYS 16 CO 0.01 0.69 -0.02 0.82 -3.45 0.00 0.00 179.45 177.50 1b9q h ILE 17 N 0.51 1.26 -0.66 2.00 2.04 -0.85 -2.58 117.51 119.22 1b9q h ILE 17 Ca 0.09 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.88 1b9q h ILE 17 Cb 0.56 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1b9q h ILE 17 CO 0.04 0.35 0.34 0.00 0.00 0.00 0.00 178.15 178.88 1b9q h ALA 18 N 0.88 0.85 -0.59 1.87 0.00 -0.99 -1.66 119.26 119.62 1b9q h ALA 18 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1b9q h ALA 18 Cb 0.50 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1b9q h ALA 18 CO 0.02 0.39 0.37 -0.22 0.00 0.00 0.00 179.25 179.81 1b9q h LYS 19 N 0.91 0.78 -0.46 0.00 3.64 -1.09 -2.02 116.57 118.33 1b9q h LYS 19 Ca 0.23 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.42 1b9q h LYS 19 Cb 0.08 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1b9q h LYS 19 CO -0.03 0.54 -0.25 -0.09 -2.27 0.00 0.00 179.45 177.35 1b9q h ARG 20 N 0.80 0.99 0.00 1.90 2.43 -1.01 -2.50 114.38 116.99 1b9q h ARG 20 Ca 0.21 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1b9q h ARG 20 Cb -0.06 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1b9q h ARG 20 CO -0.04 1.11 0.00 0.77 -1.51 0.00 0.00 179.97 180.30 1b9q h SER 21 N 0.84 0.00 0.05 -3.80 0.02 -0.67 -3.15 113.55 106.83 1b9q h SER 21 Ca 0.10 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.74 1b9q h SER 21 Cb 0.83 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 1b9q h SER 21 CO 0.07 0.00 -1.70 -0.38 -1.14 0.00 0.00 176.83 173.68 1b9q n ILE 22 N -2.69 1.62 0.03 3.27 5.41 -0.82 -3.64 119.36 122.54 1b9q n ILE 22 Ca 0.02 -0.31 -0.10 0.00 1.00 0.00 0.00 62.75 63.36 1b9q n ILE 22 Cb 0.34 -1.89 -0.04 0.00 -0.71 0.00 0.00 39.64 37.34 1b9q n ILE 22 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1b9q h LYS 23 N -0.57 -0.19 -0.41 0.38 1.79 -1.53 0.04 116.57 116.08 1b9q h LYS 23 Ca -0.42 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1b9q h LYS 23 Cb 1.62 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 32.30 1b9q h LYS 23 CO -0.12 -0.13 0.24 0.00 -1.08 0.00 0.00 179.45 178.36 1b9q h THR 24 N -0.20 1.12 -0.19 -0.16 1.03 -1.75 -1.74 112.91 111.02 1b9q h THR 24 Ca 0.06 -0.29 -0.04 0.00 -0.01 0.00 0.00 66.41 66.13 1b9q h THR 24 Cb 0.29 0.55 -0.01 0.00 -1.07 0.00 0.00 68.15 67.92 1b9q h THR 24 CO -0.17 0.13 -0.05 0.25 -0.01 0.00 0.00 175.52 175.67 1b9q h LEU 25 N 0.57 0.38 -0.82 0.00 6.46 -1.41 -3.17 115.31 117.32 1b9q h LEU 25 Ca 0.15 -0.38 -0.05 0.00 -0.12 0.00 0.00 57.88 57.48 1b9q h LEU 25 Cb -0.00 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 1b9q h LEU 25 CO -0.03 0.67 0.27 -0.33 -0.62 0.00 0.00 178.44 178.40 1b9q h GLU 26 N 0.09 1.14 -0.99 1.25 5.08 -0.61 -2.44 114.58 118.10 1b9q h GLU 26 Ca 0.05 -0.22 0.35 0.00 -1.00 0.00 0.00 59.36 58.53 1b9q h GLU 26 Cb 0.51 -0.18 -0.17 0.00 0.50 0.00 0.00 28.75 29.41 1b9q h GLU 26 CO 0.02 0.95 0.39 1.25 -1.00 0.00 0.00 179.01 180.62 1b9q h HIS 27 N 1.11 0.58 -0.01 4.33 2.76 -1.30 -0.34 115.15 122.29 1b9q h HIS 27 Ca 0.25 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1b9q h HIS 27 Cb 0.26 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1b9q h HIS 27 CO 0.02 -0.39 -0.16 0.36 -1.30 0.00 0.00 177.93 176.46 1b9q n LYS 28 N -5.28 2.00 -0.13 5.26 2.85 -1.20 -4.60 118.16 117.07 1b9q n LYS 28 Ca 0.32 -0.60 -0.24 0.00 -1.05 0.00 0.00 58.31 56.73 1b9q n LYS 28 Cb 1.04 -1.05 -0.11 0.00 -0.65 0.00 0.00 35.03 34.26 1b9q n LYS 28 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1b9q n ARG 29 N -0.21 0.62 -0.15 -1.58 5.12 -0.51 -4.20 116.66 115.76 1b9q n ARG 29 Ca 0.04 0.23 0.02 0.00 -1.93 0.00 0.00 57.85 56.20 1b9q n ARG 29 Cb 0.19 -1.52 0.31 0.00 -1.16 0.00 0.00 32.46 30.28 1b9q n ARG 29 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1b9q h GLU 30 N -0.55 0.83 -1.98 5.56 4.39 -1.35 -2.45 114.58 119.03 1b9q h GLU 30 Ca -0.63 -0.05 -0.75 0.00 0.34 0.00 0.00 59.36 58.27 1b9q h GLU 30 Cb 1.74 -0.19 -0.29 0.00 -0.10 0.00 0.00 28.75 29.91 1b9q h GLU 30 CO -0.26 0.55 0.81 -1.71 -1.16 0.00 0.00 179.01 177.23 1b9q n ASN 31 N -4.44 7.10 -4.41 1.42 5.15 -1.26 -4.98 115.26 113.84 1b9q n ASN 31 Ca 0.07 -3.80 -0.31 0.00 -0.60 0.00 0.00 54.58 49.94 1b9q n ASN 31 Cb 0.05 -1.00 -0.14 0.00 -0.53 0.00 0.00 39.78 38.17 1b9q n ASN 31 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b9q s ALA 32 N -4.04 2.46 -0.09 5.20 0.00 -0.93 -4.97 121.76 119.40 1b9q s ALA 32 Ca 0.50 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 1b9q s ALA 32 Cb 0.40 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1b9q s ALA 32 CO -0.35 0.56 -0.22 1.17 0.00 0.00 0.00 175.76 176.92 1b9q n LYS 33 N 1.68 0.34 0.00 0.00 4.81 -1.26 -5.07 118.16 118.66 1b9q n LYS 33 Ca -0.16 0.14 0.04 0.00 -0.87 0.00 0.00 58.31 57.46 1b9q n LYS 33 Cb 0.52 -1.10 0.04 0.00 0.02 0.00 0.00 35.03 34.51 1b9q n LYS 33 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96