#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ihq s ALA 2 N 0.00 0.26 -0.44 4.61 0.00 -1.26 -5.01 121.76 119.92 1ihq s ALA 2 Ca 0.00 -1.65 0.09 0.00 0.00 0.00 0.00 51.96 50.40 1ihq s ALA 2 Cb 0.00 -1.91 0.32 0.00 0.00 0.00 0.00 23.12 21.53 1ihq s ALA 2 CO 0.00 -2.08 0.72 0.41 0.00 0.00 0.00 175.76 174.81 1ihq n GLY 3 N 3.36 3.91 3.35 0.00 0.00 -1.26 -5.09 105.19 109.47 1ihq n GLY 3 Ca 0.21 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 1ihq n GLY 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ihq s SER 4 N -2.33 3.21 -0.09 1.61 1.04 -1.26 -5.04 113.70 110.85 1ihq s SER 4 Ca 0.40 -0.58 -0.06 0.00 0.48 0.00 0.00 55.95 56.19 1ihq s SER 4 Cb 0.28 -0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 1ihq s SER 4 CO -0.09 0.26 -0.15 -1.20 0.98 0.00 0.00 173.24 173.04 1ihq n SER 5 N 1.76 0.98 0.00 7.02 7.64 -1.26 -5.09 113.62 124.67 1ihq n SER 5 Ca -0.17 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1ihq n SER 5 Cb 0.52 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1ihq n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ihq n SER 6 N -3.62 0.00 0.11 6.43 3.41 -1.26 -5.02 113.62 113.67 1ihq n SER 6 Ca -0.18 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.44 1ihq n SER 6 Cb 0.53 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1ihq n SER 6 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1ihq h LEU 7 N 0.00 0.00 -0.18 1.04 -0.00 -1.98 -2.06 115.31 112.13 1ihq h LEU 7 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.73 1ihq h LEU 7 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1ihq h LEU 7 CO 0.00 0.57 -0.49 1.05 -0.00 0.00 0.00 178.44 179.57 1ihq h GLU 8 N 0.00 0.65 -0.10 0.17 4.11 -1.96 0.60 114.58 118.04 1ihq h GLU 8 Ca -0.04 -0.46 -0.13 0.00 0.07 0.00 0.00 59.36 58.80 1ihq h GLU 8 Cb 1.47 0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.80 1ihq h GLU 8 CO 0.07 1.08 -0.45 0.00 0.07 0.00 0.00 179.01 179.78 1ihq h ALA 9 N 0.57 0.19 -0.51 1.06 0.00 -1.96 -0.75 119.26 117.86 1ihq h ALA 9 Ca -0.01 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 1ihq h ALA 9 Cb 1.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1ihq h ALA 9 CO 0.11 0.34 -0.13 -0.24 0.00 0.00 0.00 179.25 179.33 1ihq h VAL 10 N 0.07 1.27 -0.35 0.00 3.04 -1.41 0.17 116.25 119.03 1ihq h VAL 10 Ca -0.03 -1.26 -0.09 0.00 -1.01 0.00 0.00 66.70 64.31 1ihq h VAL 10 Cb 1.09 1.01 -0.02 0.00 -2.01 0.00 0.00 31.29 31.36 1ihq h VAL 10 CO 0.09 0.44 -0.14 -0.09 -1.01 0.00 0.00 177.57 176.87 1ihq h ARG 11 N 0.85 0.63 0.00 4.17 2.43 0.22 0.34 114.38 123.02 1ihq h ARG 11 Ca 0.13 -0.20 -0.12 0.00 -0.81 0.00 0.00 59.98 58.98 1ihq h ARG 11 Cb 0.67 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1ihq h ARG 11 CO 0.05 0.74 -0.55 -0.09 -1.51 0.00 0.00 179.97 178.61 1ihq h ARG 12 N 0.57 0.00 0.21 0.20 2.43 -0.79 -1.49 114.38 115.51 1ihq h ARG 12 Ca 0.10 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.94 1ihq h ARG 12 Cb 0.57 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.15 1ihq h ARG 12 CO 0.04 0.55 -1.41 -0.22 -1.51 0.00 0.00 179.97 177.42 1ihq h LYS 13 N 0.00 0.57 0.01 0.20 3.64 -0.14 -1.03 116.57 119.83 1ihq h LYS 13 Ca -0.01 -0.90 -0.00 0.00 -1.27 0.00 0.00 60.65 58.47 1ihq h LYS 13 Cb 1.32 0.32 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 1ihq h LYS 13 CO 0.07 1.43 -0.01 0.97 -2.27 0.00 0.00 179.45 179.64 1ihq h ILE 14 N 0.19 1.28 -0.29 2.00 -0.00 -0.36 0.24 117.51 120.58 1ihq h ILE 14 Ca -0.24 -0.90 -0.01 0.00 -0.00 0.00 0.00 64.86 63.72 1ihq h ILE 14 Cb 2.10 1.89 -0.01 0.00 -0.00 0.00 0.00 36.82 40.79 1ihq h ILE 14 CO 0.27 0.23 0.16 -0.09 -0.00 0.00 0.00 178.15 178.72 1ihq h ARG 15 N -0.40 0.41 0.35 2.19 2.43 -1.38 0.24 114.38 118.22 1ihq h ARG 15 Ca -0.00 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1ihq h ARG 15 Cb 0.39 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1ihq h ARG 15 CO 0.00 0.36 -0.17 0.77 -1.51 0.00 0.00 179.97 179.42 1ihq h SER 16 N 0.35 -0.40 -0.81 -3.80 0.02 -1.17 -1.59 113.55 106.15 1ihq h SER 16 Ca 0.10 -0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.15 1ihq h SER 16 Cb 0.07 0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.64 1ihq h SER 16 CO -0.02 -0.27 0.46 -0.07 -1.14 0.00 0.00 176.83 175.79 1ihq h LEU 17 N -0.50 0.65 -0.63 5.07 -0.00 -0.38 -0.49 115.31 119.04 1ihq h LEU 17 Ca -0.05 0.05 0.09 0.00 -0.00 0.00 0.00 57.88 57.98 1ihq h LEU 17 Cb 0.38 -0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 40.89 1ihq h LEU 17 CO 0.08 0.37 0.25 -0.61 -0.00 0.00 0.00 178.44 178.53 1ihq h GLN 18 N 0.76 0.43 -0.27 1.13 4.15 -0.09 0.60 115.11 121.83 1ihq h GLN 18 Ca 0.39 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.78 1ihq h GLN 18 Cb 0.37 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1ihq h GLN 18 CO -0.25 0.28 0.15 0.93 -1.93 0.00 0.00 178.83 178.02 1ihq h GLU 19 N 0.44 0.37 -0.19 1.69 5.08 -0.14 -1.47 114.58 120.36 1ihq h GLU 19 Ca 0.32 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1ihq h GLU 19 Cb 0.38 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1ihq h GLU 19 CO -0.30 0.31 -0.10 0.37 -1.00 0.00 0.00 179.01 178.30 1ihq h GLN 20 N 0.33 0.30 -0.06 2.33 4.15 -0.22 0.12 115.11 122.05 1ihq h GLN 20 Ca 0.10 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1ihq h GLN 20 Cb 0.05 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 1ihq h GLN 20 CO -0.02 0.41 0.03 -0.91 -1.93 0.00 0.00 178.83 176.41 1ihq h ASN 21 N 0.29 0.08 0.94 -0.69 2.35 0.83 0.82 115.58 120.20 1ihq h ASN 21 Ca 0.06 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.64 1ihq h ASN 21 Cb 0.36 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1ihq h ASN 21 CO 0.02 0.17 -0.26 1.88 -1.65 0.00 0.00 177.43 177.59 1ihq h TYR 22 N -0.02 0.00 0.16 1.19 0.05 -0.91 0.45 116.97 117.88 1ihq h TYR 22 Ca 0.02 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.49 1ihq h TYR 22 Cb 0.11 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.88 1ihq h TYR 22 CO -0.04 0.26 -1.30 1.25 -1.05 0.00 0.00 178.16 177.28 1ihq h HIS 23 N 0.00 1.00 0.01 4.88 2.76 -0.24 -1.11 115.15 122.46 1ihq h HIS 23 Ca -0.00 -0.66 -0.21 0.00 -2.20 0.00 0.00 60.37 57.30 1ihq h HIS 23 Cb 0.80 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.66 1ihq h HIS 23 CO 0.00 1.50 -1.00 1.25 -1.30 0.00 0.00 177.93 178.38 1ihq h LEU 24 N 0.23 0.03 -0.09 0.26 6.46 0.78 -0.84 115.31 122.13 1ihq h LEU 24 Ca -0.21 -0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.47 1ihq h LEU 24 Cb 1.98 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 41.90 1ihq h LEU 24 CO 0.25 1.00 -0.16 -0.08 -0.62 0.00 0.00 178.44 178.83 1ihq h GLU 25 N 0.01 0.27 -0.01 1.25 4.81 -0.16 0.59 114.58 121.34 1ihq h GLU 25 Ca -0.02 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 58.91 1ihq h GLU 25 Cb 1.75 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.13 1ihq h GLU 25 CO 0.13 0.75 -0.62 -0.91 -0.73 0.00 0.00 179.01 177.63 1ihq h ASN 26 N -0.17 0.05 0.51 1.04 2.35 -1.27 -1.61 115.58 116.47 1ihq h ASN 26 Ca 0.01 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1ihq h ASN 26 Cb 0.73 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 39.09 1ihq h ASN 26 CO 0.04 0.65 -0.25 -0.08 -1.65 0.00 0.00 177.43 176.14 1ihq h GLU 27 N 0.03 -0.66 -0.77 0.81 4.57 -1.10 -0.51 114.58 116.95 1ihq h GLU 27 Ca -0.01 0.05 0.10 0.00 -1.18 0.00 0.00 59.36 58.32 1ihq h GLU 27 Cb 1.10 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 29.77 1ihq h GLU 27 CO 0.08 -0.39 0.41 -0.24 -1.18 0.00 0.00 179.01 177.69 1ihq h VAL 28 N -1.12 0.86 0.06 0.32 3.04 -0.92 0.56 116.25 119.04 1ihq h VAL 28 Ca -0.07 -0.24 -0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1ihq h VAL 28 Cb 0.58 0.12 -0.00 0.00 -2.01 0.00 0.00 31.29 29.97 1ihq h VAL 28 CO 0.12 0.13 -0.04 0.00 -1.01 0.00 0.00 177.57 176.76 1ihq h ALA 29 N 1.45 -0.89 -0.36 3.17 0.00 -1.30 0.26 119.26 121.59 1ihq h ALA 29 Ca 0.38 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.38 1ihq h ALA 29 Cb 0.39 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ihq h ALA 29 CO -0.27 -0.89 0.48 -0.09 0.00 0.00 0.00 179.25 178.49 1ihq h ARG 30 N -0.09 0.00 0.36 0.00 2.43 -0.85 0.16 114.38 116.40 1ihq h ARG 30 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1ihq h ARG 30 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1ihq h ARG 30 CO 0.01 0.00 -0.17 1.25 -1.51 0.00 0.00 179.97 179.54 1ihq h LEU 31 N 0.00 -0.41 -1.81 3.80 5.85 0.93 0.50 115.31 124.17 1ihq h LEU 31 Ca 0.17 -0.14 0.16 0.00 0.84 0.00 0.00 57.88 58.91 1ihq h LEU 31 Cb 1.13 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1ihq h LEU 31 CO -0.00 0.02 0.45 0.11 -0.34 0.00 0.00 178.44 178.67 1ihq h LYS 32 N -0.95 0.18 0.08 1.25 1.57 0.14 1.84 116.57 120.67 1ihq h LYS 32 Ca -0.05 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.45 1ihq h LYS 32 Cb 0.53 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.81 1ihq h LYS 32 CO 0.08 0.12 -1.13 -0.22 -0.57 0.00 0.00 179.45 177.73 1ihq h LYS 33 N 0.19 0.46 -0.00 3.15 3.64 -1.13 -1.34 116.57 121.54 1ihq h LYS 33 Ca 0.31 -0.60 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1ihq h LYS 33 Cb 0.97 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1ihq h LYS 33 CO -0.06 1.24 -0.01 1.25 -2.27 0.00 0.00 179.45 179.60 1ihq h LEU 34 N 0.21 0.02 0.37 5.20 6.46 0.37 -3.30 115.31 124.64 1ihq h LEU 34 Ca -0.13 -0.62 -0.01 0.00 -0.12 0.00 0.00 57.88 57.00 1ihq h LEU 34 Cb 1.80 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.71 1ihq h LEU 34 CO 0.20 0.64 -0.30 -0.37 -0.62 0.00 0.00 178.44 178.00 1ihq h VAL 35 N -0.60 0.38 -4.98 1.05 -1.51 0.25 -3.44 116.25 107.41 1ihq h VAL 35 Ca -0.00 0.00 -0.27 0.00 -1.23 0.00 0.00 66.70 65.20 1ihq h VAL 35 Cb 0.64 0.38 -0.17 0.00 -2.13 0.00 0.00 31.29 30.02 1ihq h VAL 35 CO 0.00 0.00 -0.39 0.61 -1.23 0.00 0.00 177.57 176.57 1ihq n GLY 36 N -1.42 -0.28 0.00 5.19 0.00 -0.50 -4.84 105.19 103.34 1ihq n GLY 36 Ca -0.10 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ihq n GLY 36 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ihq n GLU 37 N -2.38 -0.12 -0.29 1.61 -0.00 -1.26 -5.12 120.64 113.07 1ihq n GLU 37 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.21 1ihq n GLU 37 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.74 1ihq n GLU 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00