#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 -0.86 0.00 4.61 0.00 -2.05 -3.46 119.26 117.50 1ihq h ALA 2 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ihq h ALA 2 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ihq h ALA 2 CO 0.00 -0.89 0.00 0.41 0.00 0.00 0.00 179.25 178.77 1ihq n GLY 3 N -1.22 0.09 3.47 0.00 0.00 -1.26 -5.14 105.19 101.13 1ihq n GLY 3 Ca -0.05 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1ihq n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ihq s SER 4 N -1.19 3.58 0.15 1.61 0.15 -1.26 -5.05 113.70 111.69 1ihq s SER 4 Ca 0.00 -1.04 -0.30 0.00 0.70 0.00 0.00 55.95 55.31 1ihq s SER 4 Cb 0.00 -0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 63.96 1ihq s SER 4 CO 0.00 0.02 1.56 0.28 1.20 0.00 0.00 173.24 176.29 1ihq h SER 5 N 2.25 -1.72 -4.01 5.45 0.02 -2.01 -3.46 113.55 110.08 1ihq h SER 5 Ca -0.40 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1ihq h SER 5 Cb 1.26 0.73 0.00 0.00 0.14 0.00 0.00 62.40 64.53 1ihq h SER 5 CO 0.61 -0.37 -0.05 -1.20 -1.14 0.00 0.00 176.83 174.68 1ihq n SER 6 N -5.38 -2.26 0.13 3.07 7.64 -1.26 -4.00 113.62 111.55 1ihq n SER 6 Ca -0.01 0.07 -0.23 0.00 1.01 0.00 0.00 58.87 59.70 1ihq n SER 6 Cb 0.34 0.70 -0.15 0.00 -1.01 0.00 0.00 64.21 64.09 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 0.14 0.82 -0.13 -3.43 5.85 -1.96 -1.32 115.31 115.28 1ihq h LEU 7 Ca 0.00 -0.85 -0.08 0.00 0.84 0.00 0.00 57.88 57.79 1ihq h LEU 7 Cb 0.00 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.77 1ihq h LEU 7 CO 0.00 1.66 -0.22 -0.33 -0.34 0.00 0.00 178.44 179.21 1ihq h GLU 8 N 0.17 0.38 -0.34 1.25 4.39 -1.97 0.72 114.58 119.18 1ihq h GLU 8 Ca -0.23 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 1ihq h GLU 8 Cb 2.11 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.77 1ihq h GLU 8 CO 0.26 0.82 0.09 0.00 -1.16 0.00 0.00 179.01 179.03 1ihq h ALA 9 N 0.55 0.45 0.00 3.43 0.00 -1.83 0.76 119.26 122.63 1ihq h ALA 9 Ca 0.01 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1ihq h ALA 9 Cb 0.79 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ihq h ALA 9 CO 0.05 0.11 -0.32 0.28 0.00 0.00 0.00 179.25 179.37 1ihq h VAL 10 N 0.40 0.74 -0.28 0.00 2.07 -1.25 -0.64 116.25 117.29 1ihq h VAL 10 Ca 0.11 -1.40 -0.18 0.00 0.82 0.00 0.00 66.70 66.05 1ihq h VAL 10 Cb 0.28 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1ihq h VAL 10 CO -0.00 0.31 -0.53 -0.09 0.02 0.00 0.00 177.57 177.28 1ihq h ARG 11 N 0.00 0.85 0.00 1.57 2.43 0.11 0.36 114.38 119.71 1ihq h ARG 11 Ca -0.00 -0.55 -0.15 0.00 -0.81 0.00 0.00 59.98 58.47 1ihq h ARG 11 Cb 0.87 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 1ihq h ARG 11 CO 0.04 1.18 -0.71 0.07 -1.51 0.00 0.00 179.97 179.04 1ihq h ARG 12 N 0.63 0.00 0.14 0.20 -0.00 -0.70 -1.58 114.38 113.07 1ihq h ARG 12 Ca 0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 59.98 59.69 1ihq h ARG 12 Cb 1.14 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 31.14 1ihq h ARG 12 CO 0.12 0.71 -1.28 -0.22 -0.00 0.00 0.00 179.97 179.31 1ihq h LYS 13 N 0.00 0.52 -0.07 0.08 1.63 -1.04 -0.58 116.57 117.11 1ihq h LYS 13 Ca -0.01 -0.75 -0.02 0.00 -0.85 0.00 0.00 60.65 59.02 1ihq h LYS 13 Cb 1.48 0.26 -0.00 0.00 -0.60 0.00 0.00 32.23 33.37 1ihq h LYS 13 CO 0.09 1.34 -0.04 0.97 -3.45 0.00 0.00 179.45 178.36 1ihq h ILE 14 N 0.20 1.34 -0.35 2.00 -0.00 -0.30 0.08 117.51 120.48 1ihq h ILE 14 Ca -0.19 -1.10 -0.03 0.00 -0.00 0.00 0.00 64.86 63.55 1ihq h ILE 14 Cb 1.96 1.92 -0.02 0.00 -0.00 0.00 0.00 36.82 40.69 1ihq h ILE 14 CO 0.23 0.30 0.12 -0.09 -0.00 0.00 0.00 178.15 178.72 1ihq h ARG 15 N -0.24 0.54 -0.07 2.19 2.43 -1.38 -0.51 114.38 117.35 1ihq h ARG 15 Ca 0.01 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1ihq h ARG 15 Cb 0.51 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1ihq h ARG 15 CO 0.01 0.55 -0.02 1.03 -1.51 0.00 0.00 179.97 180.03 1ihq h SER 16 N 0.42 -0.07 -0.92 -3.80 0.87 -1.09 -1.25 113.55 107.71 1ihq h SER 16 Ca 0.12 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1ihq h SER 16 Cb 0.23 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.17 1ihq h SER 16 CO -0.01 -0.03 0.60 -0.07 -0.53 0.00 0.00 176.83 176.80 1ihq h LEU 17 N -0.00 0.93 -0.22 2.23 3.38 -0.82 -1.17 115.31 119.64 1ihq h LEU 17 Ca 0.03 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1ihq h LEU 17 Cb 0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1ihq h LEU 17 CO -0.07 0.59 0.05 -0.61 0.09 0.00 0.00 178.44 178.49 1ihq h GLN 18 N 1.05 0.13 -0.47 1.13 4.15 -0.16 0.45 115.11 121.39 1ihq h GLN 18 Ca 0.40 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.83 1ihq h GLN 18 Cb 0.19 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1ihq h GLN 18 CO -0.15 0.09 0.29 0.93 -1.93 0.00 0.00 178.83 178.05 1ihq h GLU 19 N 0.13 0.56 -0.18 1.69 5.08 -0.29 -1.26 114.58 120.31 1ihq h GLU 19 Ca 0.10 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1ihq h GLU 19 Cb 0.09 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1ihq h GLU 19 CO -0.13 0.37 -0.14 0.37 -1.00 0.00 0.00 179.01 178.48 1ihq h GLN 20 N 0.57 0.29 -0.21 2.33 4.15 -0.71 0.26 115.11 121.80 1ihq h GLN 20 Ca 0.19 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1ihq h GLN 20 Cb 0.00 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1ihq h GLN 20 CO -0.08 0.44 0.10 -0.91 -1.93 0.00 0.00 178.83 176.45 1ihq h ASN 21 N 0.27 0.27 1.33 -0.69 -0.26 0.97 0.42 115.58 117.89 1ihq h ASN 21 Ca 0.05 -0.12 -0.06 0.00 -0.56 0.00 0.00 56.30 55.62 1ihq h ASN 21 Cb 0.42 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 1ihq h ASN 21 CO 0.03 0.31 -0.27 0.22 -1.06 0.00 0.00 177.43 176.65 1ihq h TYR 22 N 0.21 0.00 -0.04 1.19 3.20 -0.91 0.41 116.97 121.03 1ihq h TYR 22 Ca 0.07 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 1ihq h TYR 22 Cb 0.11 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.39 1ihq h TYR 22 CO -0.03 0.27 -0.42 0.45 -1.64 0.00 0.00 178.16 176.80 1ihq h HIS 23 N 0.00 0.50 0.16 -3.82 3.86 0.02 -0.82 115.15 115.05 1ihq h HIS 23 Ca -0.00 -0.24 -0.29 0.00 -1.16 0.00 0.00 60.37 58.67 1ihq h HIS 23 Cb 1.01 -0.07 0.02 0.00 1.06 0.00 0.00 27.41 29.43 1ihq h HIS 23 CO 0.00 1.02 -1.30 -0.07 0.86 0.00 0.00 177.93 178.44 1ihq h LEU 24 N -0.16 0.59 -0.38 2.43 4.07 -0.17 -0.22 115.31 121.47 1ihq h LEU 24 Ca -0.04 -0.61 -0.01 0.00 0.08 0.00 0.00 57.88 57.29 1ihq h LEU 24 Cb 1.10 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 1ihq h LEU 24 CO 0.08 1.47 0.19 -0.08 -1.08 0.00 0.00 178.44 179.02 1ihq h GLU 25 N 0.12 0.55 -0.00 1.13 4.81 -0.25 0.44 114.58 121.37 1ihq h GLU 25 Ca -0.17 -0.08 -0.20 0.00 -0.13 0.00 0.00 59.36 58.78 1ihq h GLU 25 Cb 2.01 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.28 1ihq h GLU 25 CO 0.23 0.48 -0.87 -0.91 -0.73 0.00 0.00 179.01 177.21 1ihq h ASN 26 N 0.48 0.32 0.31 1.04 2.35 -1.22 -1.88 115.58 116.97 1ihq h ASN 26 Ca 0.13 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1ihq h ASN 26 Cb 0.11 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1ihq h ASN 26 CO -0.02 1.04 -0.15 -0.08 -1.65 0.00 0.00 177.43 176.58 1ihq h GLU 27 N 0.14 -0.40 0.45 0.81 4.57 -0.68 -1.56 114.58 117.92 1ihq h GLU 27 Ca -0.05 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1ihq h GLU 27 Cb 1.49 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 30.18 1ihq h GLU 27 CO 0.14 -0.14 -0.22 -0.39 -1.18 0.00 0.00 179.01 177.22 1ihq h VAL 28 N -0.61 0.56 -0.82 0.32 -1.51 -0.19 0.29 116.25 114.29 1ihq h VAL 28 Ca -0.04 -0.01 0.09 0.00 -1.23 0.00 0.00 66.70 65.51 1ihq h VAL 28 Cb 0.44 0.56 -0.12 0.00 -2.13 0.00 0.00 31.29 30.04 1ihq h VAL 28 CO 0.07 0.00 -0.53 0.00 -1.23 0.00 0.00 177.57 175.88 1ihq h ALA 29 N -0.06 -0.46 0.00 5.19 0.00 -1.35 2.06 119.26 124.64 1ihq h ALA 29 Ca -0.06 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ihq h ALA 29 Cb 0.47 1.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1ihq h ALA 29 CO 0.10 -0.92 -0.11 -0.09 0.00 0.00 0.00 179.25 178.23 1ihq h ARG 30 N -0.12 0.00 0.08 0.00 2.43 -1.11 0.04 114.38 115.71 1ihq h ARG 30 Ca 0.17 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1ihq h ARG 30 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1ihq h ARG 30 CO -0.84 0.11 -0.04 1.25 -1.51 0.00 0.00 179.97 178.94 1ihq h LEU 31 N 0.00 -0.09 -1.88 3.80 5.85 0.64 0.36 115.31 123.98 1ihq h LEU 31 Ca -0.00 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.86 1ihq h LEU 31 Cb 0.29 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1ihq h LEU 31 CO 0.01 0.01 0.54 0.07 -0.34 0.00 0.00 178.44 178.73 1ihq h LYS 32 N -0.27 0.00 0.15 1.25 2.10 0.22 1.74 116.57 121.76 1ihq h LYS 32 Ca -0.01 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.42 1ihq h LYS 32 Cb 0.08 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.44 1ihq h LYS 32 CO 0.02 0.00 -0.93 -0.22 -2.00 0.00 0.00 179.45 176.32 1ihq h LYS 33 N 0.00 0.36 0.17 0.07 3.64 -0.99 -2.88 116.57 116.93 1ihq h LYS 33 Ca 0.23 -0.59 -0.01 0.00 -1.27 0.00 0.00 60.65 59.01 1ihq h LYS 33 Cb 1.30 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1ihq h LYS 33 CO -0.00 1.28 -0.08 1.25 -2.27 0.00 0.00 179.45 179.62 1ihq h LEU 34 N -0.25 -0.19 -0.61 5.20 6.46 0.43 -3.27 115.31 123.07 1ihq h LEU 34 Ca -0.16 -0.35 0.10 0.00 -0.12 0.00 0.00 57.88 57.35 1ihq h LEU 34 Cb 1.73 0.05 -0.11 0.00 -0.73 0.00 0.00 40.66 41.59 1ihq h LEU 34 CO 0.18 0.33 -0.40 -0.37 -0.62 0.00 0.00 178.44 177.56 1ihq h VAL 35 N -0.80 0.11 -5.12 1.05 -1.51 0.22 -3.43 116.25 106.76 1ihq h VAL 35 Ca -0.02 0.00 -0.30 0.00 -1.23 0.00 0.00 66.70 65.15 1ihq h VAL 35 Cb 0.53 0.11 -0.18 0.00 -2.13 0.00 0.00 31.29 29.61 1ihq h VAL 35 CO 0.04 0.00 -0.43 0.61 -1.23 0.00 0.00 177.57 176.56 1ihq n GLY 36 N -1.42 -0.27 0.00 5.19 0.00 -1.09 -4.84 105.19 102.77 1ihq n GLY 36 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.45 1.32 0.00 1.61 -0.58 -1.26 -5.13 120.64 114.14 1ihq n GLU 37 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1ihq n GLU 37 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.16 1ihq n GLU 37 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52