#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ihq h ALA 2 N 0.00 -0.71 0.00 4.61 0.00 -2.01 -3.44 119.26 117.71 1ihq h ALA 2 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ihq h ALA 2 Cb 0.00 0.76 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ihq h ALA 2 CO 0.00 -0.80 0.00 0.41 0.00 0.00 0.00 179.25 178.86 1ihq n GLY 3 N -1.23 0.07 0.00 0.00 0.00 -1.26 -5.03 105.19 97.75 1ihq n GLY 3 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.01 1.61 2.88 -1.26 -4.88 113.62 111.98 1ihq n SER 4 Ca 0.00 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1ihq n SER 4 Cb 0.00 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 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 -1.89 -0.01 -0.33 -3.46 7.64 -1.26 -4.94 113.62 109.37 1ihq n SER 5 Ca 0.00 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1ihq n SER 5 Cb 0.00 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 -2.62 0.00 -0.38 6.43 7.64 -1.26 -4.89 113.62 118.53 1ihq n SER 6 Ca 0.00 -1.45 0.32 0.00 1.01 0.00 0.00 58.87 58.75 1ihq n SER 6 Cb 0.04 -0.09 0.59 0.00 -1.01 0.00 0.00 64.21 63.74 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 0.34 -0.27 -3.43 7.12 -1.92 2.21 115.31 119.36 1ihq h LEU 7 Ca 0.00 0.18 -0.18 0.00 0.13 0.00 0.00 57.88 58.01 1ihq h LEU 7 Cb 1.18 0.16 0.00 0.00 -0.53 0.00 0.00 40.66 41.47 1ihq h LEU 7 CO 0.00 -0.23 -0.53 -0.33 -0.13 0.00 0.00 178.44 177.23 1ihq h GLU 8 N 0.13 0.83 -0.18 1.25 4.39 -1.90 0.85 114.58 119.95 1ihq h GLU 8 Ca 0.80 -0.54 -0.10 0.00 0.34 0.00 0.00 59.36 59.86 1ihq h GLU 8 Cb 2.24 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 30.95 1ihq h GLU 8 CO -0.55 1.17 -0.28 0.00 -1.16 0.00 0.00 179.01 178.18 1ihq h ALA 9 N 0.66 0.27 0.00 3.43 0.00 0.24 -0.68 119.26 123.18 1ihq h ALA 9 Ca 0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1ihq h ALA 9 Cb 1.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1ihq h ALA 9 CO 0.12 0.28 -0.28 0.28 0.00 0.00 0.00 179.25 179.65 1ihq h VAL 10 N 0.16 0.62 -0.13 0.00 2.07 0.24 -0.66 116.25 118.55 1ihq h VAL 10 Ca 0.02 -1.37 -0.22 0.00 0.82 0.00 0.00 66.70 65.94 1ihq h VAL 10 Cb 0.86 1.92 0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1ihq h VAL 10 CO 0.06 0.28 -0.80 -0.09 0.02 0.00 0.00 177.57 177.05 1ihq h ARG 11 N 0.00 0.74 0.00 1.57 2.43 0.93 0.17 114.38 120.21 1ihq h ARG 11 Ca -0.00 -0.62 -0.15 0.00 -0.81 0.00 0.00 59.98 58.40 1ihq h ARG 11 Cb 0.90 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 1ihq h ARG 11 CO 0.04 1.22 -0.70 0.07 -1.51 0.00 0.00 179.97 179.09 1ihq h ARG 12 N 0.50 0.00 0.14 0.20 0.11 -0.98 -1.60 114.38 112.75 1ihq h ARG 12 Ca -0.06 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.74 1ihq h ARG 12 Cb 1.42 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.52 1ihq h ARG 12 CO 0.16 0.70 -1.27 -0.22 0.10 0.00 0.00 179.97 179.45 1ihq h LYS 13 N 0.00 0.40 -0.01 0.08 1.63 -1.09 0.12 116.57 117.70 1ihq h LYS 13 Ca -0.01 -0.62 -0.01 0.00 -0.85 0.00 0.00 60.65 59.17 1ihq h LYS 13 Cb 1.51 0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 33.36 1ihq h LYS 13 CO 0.09 1.28 -0.02 0.97 -3.45 0.00 0.00 179.45 178.33 1ihq h ILE 14 N 0.13 1.41 -0.32 2.00 -0.00 -0.68 0.23 117.51 120.28 1ihq h ILE 14 Ca -0.16 -1.23 -0.04 0.00 -0.00 0.00 0.00 64.86 63.43 1ihq h ILE 14 Cb 1.97 2.22 -0.01 0.00 -0.00 0.00 0.00 36.82 40.99 1ihq h ILE 14 CO 0.22 0.32 0.05 -0.09 -0.00 0.00 0.00 178.15 178.66 1ihq h ARG 15 N -0.47 0.53 0.11 2.19 9.65 -1.39 0.30 114.38 125.30 1ihq h ARG 15 Ca 0.00 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.73 1ihq h ARG 15 Cb 0.54 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1ihq h ARG 15 CO 0.00 0.62 -0.05 0.77 2.80 0.00 0.00 179.97 184.11 1ihq h SER 16 N 0.36 -0.13 -0.88 -3.80 0.02 -1.00 -1.38 113.55 106.74 1ihq h SER 16 Ca 0.10 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1ihq h SER 16 Cb 0.35 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 1ihq h SER 16 CO 0.01 0.00 0.58 -0.07 -1.14 0.00 0.00 176.83 176.21 1ihq h LEU 17 N -0.25 0.99 -0.39 5.07 -0.00 -0.48 -1.60 115.31 118.65 1ihq h LEU 17 Ca -0.02 -0.02 0.07 0.00 -0.00 0.00 0.00 57.88 57.91 1ihq h LEU 17 Cb 0.20 -0.24 -0.06 0.00 -0.00 0.00 0.00 40.66 40.56 1ihq h LEU 17 CO 0.03 0.71 0.02 -0.61 -0.00 0.00 0.00 178.44 178.59 1ihq h GLN 18 N 1.17 0.13 -0.34 1.13 4.15 -0.05 0.67 115.11 121.96 1ihq h GLN 18 Ca 0.33 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.75 1ihq h GLN 18 Cb -0.11 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 1ihq h GLN 18 CO -0.08 0.08 0.21 0.93 -1.93 0.00 0.00 178.83 178.04 1ihq h GLU 19 N 0.13 0.42 -0.60 1.69 5.08 -0.64 -1.58 114.58 119.08 1ihq h GLU 19 Ca 0.19 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1ihq h GLU 19 Cb 0.26 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1ihq h GLU 19 CO -0.30 0.28 0.22 0.37 -1.00 0.00 0.00 179.01 178.58 1ihq h GLN 20 N 0.43 0.87 -0.08 2.33 4.15 -0.39 0.05 115.11 122.48 1ihq h GLN 20 Ca 0.13 -0.14 0.02 0.00 0.77 0.00 0.00 58.65 59.43 1ihq h GLN 20 Cb -0.02 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 1ihq h GLN 20 CO -0.05 0.73 -0.05 -0.91 -1.93 0.00 0.00 178.83 176.62 1ihq h ASN 21 N 0.86 -0.15 0.49 -0.69 2.35 0.10 1.35 115.58 119.89 1ihq h ASN 21 Ca 0.20 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.93 1ihq h ASN 21 Cb 0.19 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1ihq h ASN 21 CO -0.02 -0.07 -0.28 1.88 -1.65 0.00 0.00 177.43 177.29 1ihq h TYR 22 N -0.05 0.00 0.05 1.19 0.05 -0.93 0.31 116.97 117.60 1ihq h TYR 22 Ca 0.05 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.59 1ihq h TYR 22 Cb 0.12 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 1ihq h TYR 22 CO -0.16 0.28 -1.08 0.45 -1.05 0.00 0.00 178.16 176.61 1ihq h HIS 23 N 0.00 0.24 0.00 4.88 3.86 0.15 -1.52 115.15 122.76 1ihq h HIS 23 Ca -0.00 -0.17 -0.19 0.00 -1.16 0.00 0.00 60.37 58.85 1ihq h HIS 23 Cb 0.61 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.04 1ihq h HIS 23 CO 0.00 1.11 -0.92 1.25 0.86 0.00 0.00 177.93 180.23 1ihq h LEU 24 N 0.04 0.00 -0.02 2.43 5.85 0.22 0.84 115.31 124.67 1ihq h LEU 24 Ca -0.07 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.44 1ihq h LEU 24 Cb 1.81 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.86 1ihq h LEU 24 CO 0.16 0.87 -0.83 -0.08 -0.34 0.00 0.00 178.44 178.22 1ihq h GLU 25 N 0.00 0.60 0.00 1.25 4.81 -0.40 -0.56 114.58 120.28 1ihq h GLU 25 Ca -0.02 -0.62 -0.17 0.00 -0.13 0.00 0.00 59.36 58.42 1ihq h GLU 25 Cb 1.68 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 31.21 1ihq h GLU 25 CO 0.11 1.23 -0.82 -0.91 -0.73 0.00 0.00 179.01 177.89 1ihq h ASN 26 N 0.22 0.00 -0.03 1.04 2.35 -1.34 -1.31 115.58 116.50 1ihq h ASN 26 Ca -0.10 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1ihq h ASN 26 Cb 1.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.87 1ihq h ASN 26 CO 0.16 0.82 -0.08 -0.08 -1.65 0.00 0.00 177.43 176.61 1ihq h GLU 27 N 0.00 0.11 -0.27 0.81 4.81 -0.84 0.31 114.58 119.50 1ihq h GLU 27 Ca -0.01 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1ihq h GLU 27 Cb 1.63 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.01 1ihq h GLU 27 CO 0.11 0.67 -0.12 -0.24 -0.73 0.00 0.00 179.01 178.69 1ihq h VAL 28 N -0.43 1.30 0.72 0.32 3.04 -1.18 0.45 116.25 120.47 1ihq h VAL 28 Ca 0.00 -1.21 -0.04 0.00 -1.01 0.00 0.00 66.70 64.45 1ihq h VAL 28 Cb 0.67 1.50 0.01 0.00 -2.01 0.00 0.00 31.29 31.46 1ihq h VAL 28 CO 0.02 0.38 -0.35 0.00 -1.01 0.00 0.00 177.57 176.61 1ihq h ALA 29 N 0.74 -0.97 0.00 3.17 0.00 -1.29 0.20 119.26 121.11 1ihq h ALA 29 Ca 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ihq h ALA 29 Cb 0.63 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1ihq h ALA 29 CO 0.04 -0.99 -0.04 0.07 0.00 0.00 0.00 179.25 178.33 1ihq h ARG 30 N -1.07 0.00 -0.01 0.00 -0.00 -0.41 -1.54 114.38 111.35 1ihq h ARG 30 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.87 1ihq h ARG 30 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.73 1ihq h ARG 30 CO 0.16 0.04 -0.02 1.25 -0.00 0.00 0.00 179.97 181.40 1ihq h LEU 31 N 0.00 0.04 -1.22 0.08 5.85 0.45 0.44 115.31 120.95 1ihq h LEU 31 Ca -0.00 -0.60 0.04 0.00 0.84 0.00 0.00 57.88 58.15 1ihq h LEU 31 Cb 0.13 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1ihq h LEU 31 CO 0.00 0.63 0.54 0.11 -0.34 0.00 0.00 178.44 179.39 1ihq h LYS 32 N -0.56 0.97 -0.08 1.25 1.57 0.06 1.79 116.57 121.58 1ihq h LYS 32 Ca -0.00 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 1ihq h LYS 32 Cb 0.63 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1ihq h LYS 32 CO 0.01 0.64 -0.28 -0.22 -0.57 0.00 0.00 179.45 179.03 1ihq h LYS 33 N 1.00 0.33 0.06 3.15 1.63 -1.26 0.44 116.57 121.91 1ihq h LYS 33 Ca 0.33 -0.25 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1ihq h LYS 33 Cb 0.06 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1ihq h LYS 33 CO -0.10 0.88 -0.03 1.25 -3.45 0.00 0.00 179.45 178.00 1ihq h LEU 34 N -0.16 -0.07 0.01 5.20 5.85 0.62 -3.10 115.31 123.67 1ihq h LEU 34 Ca -0.01 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1ihq h LEU 34 Cb 0.91 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1ihq h LEU 34 CO 0.06 0.12 -0.01 -0.37 -0.34 0.00 0.00 178.44 177.91 1ihq h VAL 35 N -0.27 1.07 -4.79 1.05 -1.51 0.27 -3.45 116.25 108.62 1ihq h VAL 35 Ca -0.01 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 65.18 1ihq h VAL 35 Cb 0.23 1.25 -0.00 0.00 -2.13 0.00 0.00 31.29 30.64 1ihq h VAL 35 CO 0.01 0.07 -0.03 0.61 -1.23 0.00 0.00 177.57 177.01 1ihq n GLY 36 N -0.79 -0.48 0.15 5.19 0.00 0.15 -4.70 105.19 104.71 1ihq n GLY 36 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1ihq n GLY 36 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ihq h GLU 37 N 0.00 0.00 0.00 1.61 4.39 -1.87 -3.51 114.58 115.20 1ihq h GLU 37 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1ihq h GLU 37 Cb 0.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1ihq h GLU 37 CO 0.03 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.42