#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 -2.92 0.00 4.61 0.00 -1.26 -5.17 120.51 115.77 1ihq n ALA 2 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1ihq n ALA 2 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.74 1.55 0.00 0.00 0.00 -1.26 -5.18 105.19 99.56 1ihq n GLY 3 Ca 0.05 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1ihq n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ihq n SER 4 N 0.00 0.00 0.00 1.61 7.64 -1.26 -5.12 113.62 116.49 1ihq n SER 4 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ihq n SER 4 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ihq n SER 4 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ihq n SER 5 N 0.00 0.00 -1.55 6.43 3.41 -1.26 -4.86 113.62 115.80 1ihq n SER 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ihq n SER 5 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ihq n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ihq n SER 6 N 0.00 -6.96 0.10 4.04 7.64 -1.26 -4.05 113.62 113.13 1ihq n SER 6 Ca 0.00 0.96 -0.15 0.00 1.01 0.00 0.00 58.87 60.69 1ihq n SER 6 Cb 0.00 -3.75 -0.12 0.00 -1.01 0.00 0.00 64.21 59.33 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 2.87 0.44 -0.07 -3.43 5.85 -1.96 -1.34 115.31 117.66 1ihq h LEU 7 Ca 0.00 -0.45 -0.17 0.00 0.84 0.00 0.00 57.88 58.10 1ihq h LEU 7 Cb 0.00 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 40.90 1ihq h LEU 7 CO 0.00 1.33 -0.62 -0.33 -0.34 0.00 0.00 178.44 178.48 1ihq h GLU 8 N 0.10 0.55 -0.30 1.25 4.39 -1.97 0.37 114.58 118.97 1ihq h GLU 8 Ca -0.12 -0.49 -0.05 0.00 0.34 0.00 0.00 59.36 59.03 1ihq h GLU 8 Cb 1.90 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.66 1ihq h GLU 8 CO 0.20 1.12 -0.02 0.00 -1.16 0.00 0.00 179.01 179.14 1ihq h ALA 9 N 0.44 0.41 0.00 3.43 0.00 -1.84 -0.00 119.26 121.69 1ihq h ALA 9 Ca -0.06 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1ihq h ALA 9 Cb 1.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1ihq h ALA 9 CO 0.13 0.18 -0.45 0.28 0.00 0.00 0.00 179.25 179.38 1ihq h VAL 10 N 0.33 1.06 -0.33 0.00 2.07 -1.29 -0.44 116.25 117.65 1ihq h VAL 10 Ca 0.08 -1.70 -0.15 0.00 0.82 0.00 0.00 66.70 65.74 1ihq h VAL 10 Cb 0.47 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1ihq h VAL 10 CO 0.02 0.44 -0.41 -0.09 0.02 0.00 0.00 177.57 177.55 1ihq h ARG 11 N 0.00 0.82 0.00 1.57 2.43 0.13 0.44 114.38 119.77 1ihq h ARG 11 Ca -0.00 -0.44 -0.18 0.00 -0.81 0.00 0.00 59.98 58.55 1ihq h ARG 11 Cb 0.96 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 1ihq h ARG 11 CO 0.06 1.07 -0.87 -0.09 -1.51 0.00 0.00 179.97 178.63 1ihq h ARG 12 N 0.66 0.00 0.09 0.20 1.12 -0.82 -1.86 114.38 113.77 1ihq h ARG 12 Ca 0.05 0.00 -0.28 0.00 -1.11 0.00 0.00 59.98 58.64 1ihq h ARG 12 Cb 0.98 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.96 1ihq h ARG 12 CO 0.09 0.87 -1.17 -0.22 -3.11 0.00 0.00 179.97 176.44 1ihq h LYS 13 N 0.00 0.52 0.11 0.20 1.63 -0.95 0.27 116.57 118.35 1ihq h LYS 13 Ca -0.01 -0.68 -0.01 0.00 -0.85 0.00 0.00 60.65 59.11 1ihq h LYS 13 Cb 1.65 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 33.50 1ihq h LYS 13 CO 0.11 1.29 -0.05 0.97 -3.45 0.00 0.00 179.45 178.32 1ihq h ILE 14 N 0.24 1.08 -0.50 2.00 -0.00 -0.16 0.43 117.51 120.60 1ihq h ILE 14 Ca -0.15 -0.86 -0.03 0.00 -0.00 0.00 0.00 64.86 63.82 1ihq h ILE 14 Cb 1.84 1.61 -0.02 0.00 -0.00 0.00 0.00 36.82 40.25 1ihq h ILE 14 CO 0.21 0.20 0.20 -0.09 -0.00 0.00 0.00 178.15 178.68 1ihq h ARG 15 N -0.56 0.75 -0.47 2.19 9.65 -1.43 0.28 114.38 124.79 1ihq h ARG 15 Ca -0.02 -0.13 -0.04 0.00 -1.10 0.00 0.00 59.98 58.69 1ihq h ARG 15 Cb 0.45 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 1ihq h ARG 15 CO 0.03 0.66 0.15 1.03 2.80 0.00 0.00 179.97 184.63 1ihq h SER 16 N 0.67 0.68 -0.71 -3.80 0.87 -0.93 -1.60 113.55 108.73 1ihq h SER 16 Ca 0.17 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.47 1ihq h SER 16 Cb 0.19 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1ihq h SER 16 CO -0.01 0.71 0.23 -0.07 -0.53 0.00 0.00 176.83 177.15 1ihq h LEU 17 N 0.62 1.03 -0.15 2.23 3.38 0.14 -1.42 115.31 121.13 1ihq h LEU 17 Ca 0.15 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1ihq h LEU 17 Cb 0.27 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1ihq h LEU 17 CO -0.00 0.96 -0.06 -0.61 0.09 0.00 0.00 178.44 178.82 1ihq h GLN 18 N 1.04 -0.03 -0.88 1.13 4.15 -0.09 0.72 115.11 121.15 1ihq h GLN 18 Ca 0.23 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.66 1ihq h GLN 18 Cb 0.30 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 1ihq h GLN 18 CO -0.01 -0.02 0.58 0.93 -1.93 0.00 0.00 178.83 178.38 1ihq h GLU 19 N -0.03 1.15 -0.06 1.69 5.08 -1.05 -1.15 114.58 120.21 1ihq h GLU 19 Ca 0.08 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1ihq h GLU 19 Cb 0.15 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1ihq h GLU 19 CO -0.18 0.76 -0.41 0.37 -1.00 0.00 0.00 179.01 178.55 1ihq h GLN 20 N 1.19 0.13 -0.25 2.33 4.15 -0.46 0.12 115.11 122.31 1ihq h GLN 20 Ca 0.32 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.67 1ihq h GLN 20 Cb -0.13 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1ihq h GLN 20 CO -0.07 0.53 0.10 -0.91 -1.93 0.00 0.00 178.83 176.54 1ihq h ASN 21 N 0.11 0.35 1.34 -0.69 2.35 0.16 0.81 115.58 120.00 1ihq h ASN 21 Ca 0.01 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.52 1ihq h ASN 21 Cb 0.78 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 1ihq h ASN 21 CO 0.06 0.43 -0.31 1.88 -1.65 0.00 0.00 177.43 177.84 1ihq h TYR 22 N 0.25 0.00 0.16 1.19 0.05 -1.12 0.21 116.97 117.71 1ihq h TYR 22 Ca 0.08 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.57 1ihq h TYR 22 Cb 0.19 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.96 1ihq h TYR 22 CO -0.01 0.31 -1.25 0.45 -1.05 0.00 0.00 178.16 176.61 1ihq h HIS 23 N 0.00 0.96 0.00 4.88 3.86 -0.35 -0.98 115.15 123.52 1ihq h HIS 23 Ca -0.00 -0.63 -0.15 0.00 -1.16 0.00 0.00 60.37 58.43 1ihq h HIS 23 Cb 1.06 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.44 1ihq h HIS 23 CO 0.00 1.48 -0.74 -0.07 0.86 0.00 0.00 177.93 179.46 1ihq h LEU 24 N 0.17 0.00 -0.05 2.43 3.38 0.64 -0.39 115.31 121.48 1ihq h LEU 24 Ca -0.20 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.61 1ihq h LEU 24 Cb 1.94 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.70 1ihq h LEU 24 CO 0.24 0.67 -0.59 -0.08 0.09 0.00 0.00 178.44 178.77 1ihq h GLU 25 N 0.00 0.49 0.01 1.13 4.81 -0.63 0.63 114.58 121.03 1ihq h GLU 25 Ca -0.02 -0.46 -0.19 0.00 -0.13 0.00 0.00 59.36 58.55 1ihq h GLU 25 Cb 1.53 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.01 1ihq h GLU 25 CO 0.08 1.10 -0.90 -0.91 -0.73 0.00 0.00 179.01 177.66 1ihq h ASN 26 N 0.06 0.12 0.02 1.04 2.35 -1.24 -1.72 115.58 116.21 1ihq h ASN 26 Ca -0.06 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1ihq h ASN 26 Cb 1.26 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1ihq h ASN 26 CO 0.12 0.95 -0.01 -0.08 -1.65 0.00 0.00 177.43 176.76 1ihq h GLU 27 N 0.04 -0.03 0.07 0.81 4.81 -1.09 -1.14 114.58 118.06 1ihq h GLU 27 Ca -0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1ihq h GLU 27 Cb 1.55 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.94 1ihq h GLU 27 CO 0.13 0.50 -0.04 -0.24 -0.73 0.00 0.00 179.01 178.63 1ihq h VAL 28 N -0.57 0.97 -0.22 0.32 3.04 -0.93 0.50 116.25 119.35 1ihq h VAL 28 Ca -0.00 -0.13 0.06 0.00 -1.01 0.00 0.00 66.70 65.61 1ihq h VAL 28 Cb 0.54 1.05 -0.07 0.00 -2.01 0.00 0.00 31.29 30.81 1ihq h VAL 28 CO 0.00 0.03 -0.23 0.00 -1.01 0.00 0.00 177.57 176.37 1ihq h ALA 29 N 0.77 -0.13 0.00 3.17 0.00 -1.37 0.71 119.26 122.41 1ihq h ALA 29 Ca -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ihq h ALA 29 Cb 0.13 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ihq h ALA 29 CO 0.02 -0.66 -0.14 -0.09 0.00 0.00 0.00 179.25 178.38 1ihq h ARG 30 N -0.25 0.00 0.32 0.00 2.43 -0.97 -0.87 114.38 115.05 1ihq h ARG 30 Ca 0.13 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1ihq h ARG 30 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1ihq h ARG 30 CO -0.36 0.14 -0.15 1.25 -1.51 0.00 0.00 179.97 179.33 1ihq h LEU 31 N 0.00 -0.36 -1.98 3.80 5.85 0.35 0.38 115.31 123.35 1ihq h LEU 31 Ca -0.00 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.85 1ihq h LEU 31 Cb 0.31 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1ihq h LEU 31 CO 0.02 -0.06 0.44 0.07 -0.34 0.00 0.00 178.44 178.57 1ihq h LYS 32 N -0.83 0.00 0.09 1.25 2.10 0.34 1.37 116.57 120.89 1ihq h LYS 32 Ca -0.04 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.47 1ihq h LYS 32 Cb 0.33 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.67 1ihq h LYS 32 CO 0.07 0.00 -0.58 -0.22 -2.00 0.00 0.00 179.45 176.73 1ihq h LYS 33 N 0.00 0.24 0.11 0.07 3.64 -1.09 -2.81 116.57 116.72 1ihq h LYS 33 Ca 0.20 -0.37 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1ihq h LYS 33 Cb 1.09 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1ihq h LYS 33 CO -0.00 1.15 -0.05 1.25 -2.27 0.00 0.00 179.45 179.53 1ihq h LEU 34 N -0.49 -0.12 -0.51 5.20 7.12 0.31 -3.16 115.31 123.66 1ihq h LEU 34 Ca -0.10 -0.31 0.10 0.00 0.13 0.00 0.00 57.88 57.70 1ihq h LEU 34 Cb 1.43 0.03 -0.10 0.00 -0.53 0.00 0.00 40.66 41.48 1ihq h LEU 34 CO 0.11 0.26 -0.30 -0.37 -0.13 0.00 0.00 178.44 178.01 1ihq h VAL 35 N -0.52 0.24 0.00 1.05 -1.51 0.15 -3.43 116.25 112.22 1ihq h VAL 35 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1ihq h VAL 35 Cb 0.42 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 1ihq h VAL 35 CO 0.02 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 1ihq n GLY 36 N -1.42 0.78 0.00 5.19 0.00 -1.06 -4.84 105.19 103.83 1ihq n GLY 36 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ihq n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ihq n GLU 37 N 0.00 -0.75 0.00 1.61 -0.58 -1.26 -5.04 120.64 114.62 1ihq n GLU 37 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ihq n GLU 37 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1ihq n GLU 37 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52