#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ihq n ALA 2 N 0.00 -3.55 0.00 4.61 0.00 -1.26 -5.03 120.51 115.29 1ihq n ALA 2 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1ihq n ALA 2 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1ihq n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ihq n GLY 3 N -4.03 0.40 1.07 0.00 0.00 -1.26 -5.04 105.19 96.33 1ihq n GLY 3 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1ihq n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ihq n SER 4 N 0.00 -1.42 0.00 1.61 2.88 -1.26 -5.11 113.62 110.32 1ihq n SER 4 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ihq n SER 4 Cb 0.00 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1ihq n SER 4 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ihq n SER 5 N -0.58 0.00 -0.61 -3.46 7.64 -1.26 -4.92 113.62 110.43 1ihq n SER 5 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1ihq n SER 5 Cb 0.23 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 1ihq n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ihq n SER 6 N 0.00 -5.36 -0.44 6.43 7.64 -1.26 -4.79 113.62 115.84 1ihq n SER 6 Ca 0.00 0.20 0.41 0.00 1.01 0.00 0.00 58.87 60.48 1ihq n SER 6 Cb 0.00 -3.55 0.77 0.00 -1.01 0.00 0.00 64.21 60.42 1ihq n SER 6 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ihq h LEU 7 N 0.00 0.01 -0.04 -3.43 5.85 -1.98 1.54 115.31 117.26 1ihq h LEU 7 Ca -0.16 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.32 1ihq h LEU 7 Cb 0.98 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.03 1ihq h LEU 7 CO 0.24 -0.00 -0.90 1.05 -0.34 0.00 0.00 178.44 178.49 1ihq h GLU 8 N 0.00 0.67 -0.24 1.25 4.11 -1.96 0.54 114.58 118.96 1ihq h GLU 8 Ca 0.68 -0.68 -0.05 0.00 0.07 0.00 0.00 59.36 59.39 1ihq h GLU 8 Cb 2.72 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 32.14 1ihq h GLU 8 CO -0.01 1.27 -0.03 0.00 0.07 0.00 0.00 179.01 180.30 1ihq h ALA 9 N 0.42 0.32 -0.26 1.06 0.00 0.16 0.48 119.26 121.45 1ihq h ALA 9 Ca -0.10 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 1ihq h ALA 9 Cb 1.56 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1ihq h ALA 9 CO 0.18 0.09 -0.57 -0.24 0.00 0.00 0.00 179.25 178.71 1ihq h VAL 10 N 0.19 1.28 -0.26 0.00 3.04 -0.35 -0.71 116.25 119.44 1ihq h VAL 10 Ca 0.06 -1.77 -0.02 0.00 -1.01 0.00 0.00 66.70 63.96 1ihq h VAL 10 Cb 0.48 1.69 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 1ihq h VAL 10 CO 0.02 0.57 0.07 -0.09 -1.01 0.00 0.00 177.57 177.13 1ihq h ARG 11 N 0.61 0.36 0.08 4.17 2.43 0.21 0.38 114.38 122.62 1ihq h ARG 11 Ca 0.01 -0.05 -0.25 0.00 -0.81 0.00 0.00 59.98 58.88 1ihq h ARG 11 Cb 1.17 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1ihq h ARG 11 CO 0.12 0.33 -1.17 -0.09 -1.51 0.00 0.00 179.97 177.66 1ihq h ARG 12 N 0.36 0.16 -0.08 0.20 2.43 -0.70 -1.16 114.38 115.59 1ihq h ARG 12 Ca 0.09 -0.28 -0.16 0.00 -0.81 0.00 0.00 59.98 58.82 1ihq h ARG 12 Cb 0.13 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1ihq h ARG 12 CO -0.00 1.12 -0.65 -0.22 -1.51 0.00 0.00 179.97 178.71 1ihq h LYS 13 N 0.04 0.30 0.00 0.20 1.63 -0.30 0.23 116.57 118.68 1ihq h LYS 13 Ca -0.09 -0.22 -0.06 0.00 -0.85 0.00 0.00 60.65 59.43 1ihq h LYS 13 Cb 1.90 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.57 1ihq h LYS 13 CO 0.17 0.84 -0.23 0.97 -3.45 0.00 0.00 179.45 177.75 1ihq h ILE 14 N 0.22 1.56 -0.69 2.00 -0.00 -0.31 0.11 117.51 120.41 1ihq h ILE 14 Ca -0.01 -1.96 -0.05 0.00 -0.00 0.00 0.00 64.86 62.84 1ihq h ILE 14 Cb 1.18 2.80 -0.03 0.00 -0.00 0.00 0.00 36.82 40.77 1ihq h ILE 14 CO 0.10 0.53 0.24 -0.09 -0.00 0.00 0.00 178.15 178.94 1ihq h ARG 15 N -0.54 1.05 0.39 2.19 2.43 -1.21 0.21 114.38 118.89 1ihq h ARG 15 Ca -0.03 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 58.91 1ihq h ARG 15 Cb 1.00 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1ihq h ARG 15 CO 0.05 0.89 -0.19 0.77 -1.51 0.00 0.00 179.97 179.98 1ihq h SER 16 N 0.99 -0.44 -0.94 -3.80 0.02 -0.61 -1.57 113.55 107.20 1ihq h SER 16 Ca 0.22 -0.13 0.15 0.00 -0.84 0.00 0.00 61.79 61.19 1ihq h SER 16 Cb 0.26 0.11 -0.08 0.00 0.14 0.00 0.00 62.40 62.83 1ihq h SER 16 CO -0.01 -0.05 0.60 -0.07 -1.14 0.00 0.00 176.83 176.16 1ihq h LEU 17 N -0.91 0.74 0.09 5.07 3.38 -0.92 0.46 115.31 123.22 1ihq h LEU 17 Ca -0.05 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ihq h LEU 17 Cb 0.55 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ihq h LEU 17 CO 0.09 0.36 -0.04 -0.61 0.09 0.00 0.00 178.44 178.32 1ihq h GLN 18 N 0.77 -0.12 -0.99 1.13 4.15 -0.48 0.39 115.11 119.96 1ihq h GLN 18 Ca 0.48 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.94 1ihq h GLN 18 Cb 0.72 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.38 1ihq h GLN 18 CO -0.25 -0.06 0.65 0.93 -1.93 0.00 0.00 178.83 178.17 1ihq h GLU 19 N -0.14 1.24 -0.11 1.69 4.39 -0.10 -0.78 114.58 120.77 1ihq h GLU 19 Ca -0.01 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 1ihq h GLU 19 Cb 0.11 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1ihq h GLU 19 CO 0.02 0.82 -0.43 0.37 -1.16 0.00 0.00 179.01 178.63 1ihq h GLN 20 N 1.27 0.24 -0.21 2.33 4.15 -0.53 0.20 115.11 122.56 1ihq h GLN 20 Ca 0.39 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.67 1ihq h GLN 20 Cb -0.03 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1ihq h GLN 20 CO -0.11 0.63 0.07 -0.91 -1.93 0.00 0.00 178.83 176.58 1ihq h ASN 21 N 0.20 0.31 1.24 -0.69 -0.26 0.11 0.44 115.58 116.93 1ihq h ASN 21 Ca 0.02 -0.20 -0.07 0.00 -0.56 0.00 0.00 56.30 55.48 1ihq h ASN 21 Cb 0.85 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 38.01 1ihq h ASN 21 CO 0.07 0.43 -0.34 0.22 -1.06 0.00 0.00 177.43 176.75 1ihq h TYR 22 N 0.18 0.00 -0.02 1.19 3.20 -1.10 0.26 116.97 120.67 1ihq h TYR 22 Ca 0.07 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 1ihq h TYR 22 Cb 0.23 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.51 1ihq h TYR 22 CO 0.00 0.34 -0.59 0.45 -1.64 0.00 0.00 178.16 176.73 1ihq h HIS 23 N 0.00 0.63 0.00 -3.82 3.86 -0.23 -1.14 115.15 114.45 1ihq h HIS 23 Ca -0.00 -0.33 -0.17 0.00 -1.16 0.00 0.00 60.37 58.71 1ihq h HIS 23 Cb 1.05 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.42 1ihq h HIS 23 CO 0.00 1.14 -0.81 -0.07 0.86 0.00 0.00 177.93 179.05 1ihq h LEU 24 N -0.05 0.00 -0.14 2.43 4.07 -0.12 -0.14 115.31 121.36 1ihq h LEU 24 Ca -0.07 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 1ihq h LEU 24 Cb 1.28 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.02 1ihq h LEU 24 CO 0.12 0.81 -0.09 -0.08 -1.08 0.00 0.00 178.44 178.11 1ihq h GLU 25 N 0.00 0.30 0.00 1.13 4.81 -0.51 0.37 114.58 120.69 1ihq h GLU 25 Ca -0.01 -0.14 -0.19 0.00 -0.13 0.00 0.00 59.36 58.89 1ihq h GLU 25 Cb 1.59 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.95 1ihq h GLU 25 CO 0.10 0.66 -0.86 -0.91 -0.73 0.00 0.00 179.01 177.27 1ihq h ASN 26 N -0.05 0.13 0.52 1.04 2.35 -1.26 -1.69 115.58 116.61 1ihq h ASN 26 Ca 0.03 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 1ihq h ASN 26 Cb 0.58 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.92 1ihq h ASN 26 CO 0.02 0.92 -0.25 -0.08 -1.65 0.00 0.00 177.43 176.40 1ihq h GLU 27 N 0.05 -0.67 0.01 0.81 4.57 -0.96 -1.51 114.58 116.87 1ihq h GLU 27 Ca -0.03 0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1ihq h GLU 27 Cb 1.50 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 30.21 1ihq h GLU 27 CO 0.12 -0.42 -0.16 -0.24 -1.18 0.00 0.00 179.01 177.13 1ihq h VAL 28 N -1.15 0.61 -0.18 0.32 3.04 -0.35 0.31 116.25 118.85 1ihq h VAL 28 Ca -0.07 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.64 1ihq h VAL 28 Cb 0.57 0.61 -0.04 0.00 -2.01 0.00 0.00 31.29 30.41 1ihq h VAL 28 CO 0.12 0.00 -0.32 0.00 -1.01 0.00 0.00 177.57 176.36 1ihq h ALA 29 N 0.66 -0.62 -0.17 3.17 0.00 -1.39 0.77 119.26 121.69 1ihq h ALA 29 Ca 0.05 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1ihq h ALA 29 Cb 0.33 0.91 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1ihq h ALA 29 CO -0.15 -0.75 0.24 -0.09 0.00 0.00 0.00 179.25 178.50 1ihq h ARG 30 N -0.26 0.00 0.47 0.00 2.43 -1.04 -1.59 114.38 114.39 1ihq h ARG 30 Ca 0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1ihq h ARG 30 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1ihq h ARG 30 CO -0.31 0.00 -0.22 1.25 -1.51 0.00 0.00 179.97 179.18 1ihq h LEU 31 N 0.00 -0.53 -1.69 3.80 5.85 0.42 0.43 115.31 123.59 1ihq h LEU 31 Ca 0.08 0.02 0.27 0.00 0.84 0.00 0.00 57.88 59.09 1ihq h LEU 31 Cb 0.57 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 1ihq h LEU 31 CO -0.00 -0.15 0.70 0.11 -0.34 0.00 0.00 178.44 178.76 1ihq h LYS 32 N -1.08 0.20 0.01 1.25 1.57 0.73 2.75 116.57 121.99 1ihq h LYS 32 Ca -0.06 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.50 1ihq h LYS 32 Cb 0.48 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1ihq h LYS 32 CO 0.11 0.13 -0.99 -0.22 -0.57 0.00 0.00 179.45 177.91 1ihq h LYS 33 N 0.21 0.02 0.00 3.15 1.63 -1.24 -2.01 116.57 118.33 1ihq h LYS 33 Ca 0.53 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.30 1ihq h LYS 33 Cb 1.69 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.33 1ihq h LYS 33 CO -0.14 0.99 -0.00 1.25 -3.45 0.00 0.00 179.45 178.09 1ihq h LEU 34 N 0.01 -0.00 0.46 5.20 6.46 0.65 -3.36 115.31 124.73 1ihq h LEU 34 Ca -0.02 -0.86 -0.01 0.00 -0.12 0.00 0.00 57.88 56.87 1ihq h LEU 34 Cb 1.73 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.64 1ihq h LEU 34 CO 0.13 0.92 -0.43 -0.37 -0.62 0.00 0.00 178.44 178.07 1ihq h VAL 35 N -0.98 0.14 -5.26 1.05 -1.51 0.40 -3.44 116.25 106.66 1ihq h VAL 35 Ca -0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 66.70 65.13 1ihq h VAL 35 Cb 0.87 0.14 -0.21 0.00 -2.13 0.00 0.00 31.29 29.96 1ihq h VAL 35 CO 0.00 0.00 -0.48 0.61 -1.23 0.00 0.00 177.57 176.47 1ihq n GLY 36 N -1.52 -0.23 0.00 5.19 0.00 -0.75 -4.83 105.19 103.04 1ihq n GLY 36 Ca -0.11 0.04 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 -2.45 -0.60 -0.13 1.61 -0.00 -1.26 -5.12 120.64 112.68 1ihq n GLU 37 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.22 1ihq n GLU 37 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.70 1ihq n GLU 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00