#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 0.90 0.00 4.61 0.00 -1.26 -5.11 120.51 119.65 1ihq n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ihq n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.31 -1.05 1.95 0.00 0.00 -1.26 -5.07 105.19 99.45 1ihq n GLY 3 Ca 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.02 -0.80 1.61 7.64 -1.26 -4.92 113.62 111.87 1ihq n SER 4 Ca 0.00 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1ihq n SER 4 Cb 0.00 -2.49 0.00 0.00 -1.01 0.00 0.00 64.21 60.71 1ihq n SER 4 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ihq n SER 5 N -0.36 -3.88 0.00 6.43 7.64 -1.26 -5.11 113.62 117.08 1ihq n SER 5 Ca 0.04 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1ihq n SER 5 Cb 0.14 -1.66 0.00 0.00 -1.01 0.00 0.00 64.21 61.68 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 0.30 0.00 0.17 6.43 3.41 -1.26 -5.00 113.62 117.66 1ihq n SER 6 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 1ihq n SER 6 Cb 0.00 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.25 1ihq n SER 6 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ihq h LEU 7 N 0.00 0.00 -0.04 1.04 7.12 -1.99 0.14 115.31 121.58 1ihq h LEU 7 Ca 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.97 1ihq h LEU 7 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1ihq h LEU 7 CO 0.00 0.45 -0.13 1.05 -0.13 0.00 0.00 178.44 179.69 1ihq h GLU 8 N 0.00 0.16 -0.22 1.25 4.11 -1.96 0.51 114.58 118.42 1ihq h GLU 8 Ca -0.00 -0.12 -0.04 0.00 0.07 0.00 0.00 59.36 59.27 1ihq h GLU 8 Cb 0.87 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1ihq h GLU 8 CO 0.06 0.74 -0.03 0.00 0.07 0.00 0.00 179.01 179.85 1ihq h ALA 9 N 0.42 0.30 -0.65 1.06 0.00 -1.93 0.32 119.26 118.79 1ihq h ALA 9 Ca -0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1ihq h ALA 9 Cb 0.75 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1ihq h ALA 9 CO 0.03 0.06 0.07 -0.24 0.00 0.00 0.00 179.25 179.17 1ihq h VAL 10 N 0.16 1.26 -0.59 0.00 3.04 -0.78 0.18 116.25 119.53 1ihq h VAL 10 Ca 0.06 -1.08 -0.04 0.00 -1.01 0.00 0.00 66.70 64.63 1ihq h VAL 10 Cb 0.46 0.69 -0.03 0.00 -2.01 0.00 0.00 31.29 30.40 1ihq h VAL 10 CO 0.02 0.40 0.21 -0.09 -1.01 0.00 0.00 177.57 177.10 1ihq h ARG 11 N 1.01 0.87 0.00 4.17 2.43 0.22 0.51 114.38 123.59 1ihq h ARG 11 Ca 0.19 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 1ihq h ARG 11 Cb 0.48 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1ihq h ARG 11 CO 0.02 0.74 -0.49 -0.09 -1.51 0.00 0.00 179.97 178.63 1ihq h ARG 12 N 0.86 0.00 0.17 0.20 1.12 -0.47 -1.69 114.38 114.56 1ihq h ARG 12 Ca 0.20 0.00 -0.30 0.00 -1.11 0.00 0.00 59.98 58.77 1ihq h ARG 12 Cb 0.21 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.19 1ihq h ARG 12 CO -0.01 0.49 -1.31 -0.22 -3.11 0.00 0.00 179.97 175.80 1ihq h LYS 13 N 0.00 0.45 -0.12 0.20 3.64 0.22 -0.83 116.57 120.13 1ihq h LYS 13 Ca -0.00 -0.70 -0.05 0.00 -1.27 0.00 0.00 60.65 58.62 1ihq h LYS 13 Cb 1.29 0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1ihq h LYS 13 CO 0.06 1.32 -0.12 0.97 -2.27 0.00 0.00 179.45 179.42 1ihq h ILE 14 N 0.15 1.36 -0.25 2.00 -0.00 -0.01 0.11 117.51 120.86 1ihq h ILE 14 Ca -0.19 -1.28 -0.02 0.00 -0.00 0.00 0.00 64.86 63.37 1ihq h ILE 14 Cb 2.01 1.94 -0.01 0.00 -0.00 0.00 0.00 36.82 40.76 1ihq h ILE 14 CO 0.24 0.37 0.06 -0.09 -0.00 0.00 0.00 178.15 178.73 1ihq h ARG 15 N -0.11 0.40 -0.04 2.19 2.43 -1.40 0.02 114.38 117.86 1ihq h ARG 15 Ca 0.02 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1ihq h ARG 15 Cb 0.64 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1ihq h ARG 15 CO 0.03 0.50 0.03 0.77 -1.51 0.00 0.00 179.97 179.78 1ihq h SER 16 N 0.23 0.05 -0.93 -3.80 0.02 -1.16 -1.60 113.55 106.37 1ihq h SER 16 Ca 0.08 -0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1ihq h SER 16 Cb 0.27 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 1ihq h SER 16 CO 0.00 0.07 0.61 -0.07 -1.14 0.00 0.00 176.83 176.29 1ihq h LEU 17 N 0.03 0.93 0.68 5.07 3.38 -0.68 -1.31 115.31 123.42 1ihq h LEU 17 Ca 0.02 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1ihq h LEU 17 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1ihq h LEU 17 CO -0.00 0.59 -0.50 -0.61 0.09 0.00 0.00 178.44 178.01 1ihq h GLN 18 N 1.06 -1.09 -0.78 1.13 4.15 -0.31 0.41 115.11 119.68 1ihq h GLN 18 Ca 0.41 0.07 0.16 0.00 0.77 0.00 0.00 58.65 60.06 1ihq h GLN 18 Cb 0.22 0.25 -0.10 0.00 0.21 0.00 0.00 27.48 28.05 1ihq h GLN 18 CO -0.16 -0.73 0.30 0.93 -1.93 0.00 0.00 178.83 177.24 1ihq h GLU 19 N -1.13 0.40 -0.32 1.69 5.08 -0.89 0.39 114.58 119.79 1ihq h GLU 19 Ca -0.09 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1ihq h GLU 19 Cb 0.93 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1ihq h GLU 19 CO 0.04 0.26 0.17 0.37 -1.00 0.00 0.00 179.01 178.85 1ihq h GLN 20 N 0.41 0.44 -0.77 2.33 4.15 -0.81 0.23 115.11 121.10 1ihq h GLN 20 Ca 0.44 -0.06 0.16 0.00 0.77 0.00 0.00 58.65 59.97 1ihq h GLN 20 Cb 0.72 -0.08 -0.11 0.00 0.21 0.00 0.00 27.48 28.22 1ihq h GLN 20 CO -0.45 0.39 0.26 -0.91 -1.93 0.00 0.00 178.83 176.20 1ihq h ASN 21 N 0.39 0.18 1.50 -0.69 -0.26 0.19 0.89 115.58 117.77 1ihq h ASN 21 Ca 0.11 0.13 -0.05 0.00 -0.56 0.00 0.00 56.30 55.93 1ihq h ASN 21 Cb 0.08 0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 1ihq h ASN 21 CO -0.02 0.03 -0.24 1.88 -1.06 0.00 0.00 177.43 178.02 1ihq h TYR 22 N 0.36 0.00 -0.05 1.19 -1.99 -0.82 0.17 116.97 115.84 1ihq h TYR 22 Ca 0.44 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 61.07 1ihq h TYR 22 Cb 0.74 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.47 1ihq h TYR 22 CO -0.20 0.24 -0.37 1.25 -0.00 0.00 0.00 178.16 179.08 1ihq h HIS 23 N 0.00 0.45 0.00 4.88 2.76 0.35 -0.57 115.15 123.03 1ihq h HIS 23 Ca -0.00 -0.22 -0.18 0.00 -2.20 0.00 0.00 60.37 57.77 1ihq h HIS 23 Cb 1.05 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.92 1ihq h HIS 23 CO 0.00 0.98 -0.87 -0.07 -1.30 0.00 0.00 177.93 176.67 1ihq h LEU 24 N -0.20 0.00 -0.23 0.26 3.38 0.45 0.02 115.31 118.98 1ihq h LEU 24 Ca -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1ihq h LEU 24 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1ihq h LEU 24 CO 0.07 0.87 -0.15 -0.08 0.09 0.00 0.00 178.44 179.24 1ihq h GLU 25 N 0.00 0.52 0.02 1.13 4.81 -0.69 0.40 114.58 120.77 1ihq h GLU 25 Ca -0.01 -0.24 -0.21 0.00 -0.13 0.00 0.00 59.36 58.77 1ihq h GLU 25 Cb 1.66 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.01 1ihq h GLU 25 CO 0.11 0.80 -0.98 -0.91 -0.73 0.00 0.00 179.01 177.31 1ihq h ASN 26 N 0.22 0.13 0.13 1.04 2.35 -1.15 -1.80 115.58 116.51 1ihq h ASN 26 Ca 0.05 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1ihq h ASN 26 Cb 0.67 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1ihq h ASN 26 CO 0.04 1.03 -0.06 -0.08 -1.65 0.00 0.00 177.43 176.70 1ihq h GLU 27 N 0.04 -0.17 0.10 0.81 4.57 -0.91 -1.18 114.58 117.83 1ihq h GLU 27 Ca -0.04 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1ihq h GLU 27 Cb 1.68 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.31 1ihq h GLU 27 CO 0.14 0.24 -0.05 -0.24 -1.18 0.00 0.00 179.01 177.92 1ihq h VAL 28 N -0.65 0.94 -0.26 0.32 3.04 -0.29 0.41 116.25 119.76 1ihq h VAL 28 Ca -0.02 -0.14 0.06 0.00 -1.01 0.00 0.00 66.70 65.59 1ihq h VAL 28 Cb 0.49 1.03 -0.08 0.00 -2.01 0.00 0.00 31.29 30.73 1ihq h VAL 28 CO 0.03 0.04 -0.36 0.00 -1.01 0.00 0.00 177.57 176.26 1ihq h ALA 29 N 0.70 -0.37 0.00 3.17 0.00 -1.38 0.66 119.26 122.03 1ihq h ALA 29 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ihq h ALA 29 Cb 0.16 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ihq h ALA 29 CO 0.02 -0.82 -0.11 -0.09 0.00 0.00 0.00 179.25 178.26 1ihq h ARG 30 N -0.36 0.00 -0.07 0.00 2.43 -1.02 -0.69 114.38 114.67 1ihq h ARG 30 Ca 0.12 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.14 1ihq h ARG 30 Cb 0.57 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1ihq h ARG 30 CO -0.46 0.11 -0.62 1.25 -1.51 0.00 0.00 179.97 178.73 1ihq h LEU 31 N 0.00 0.27 -0.13 3.80 5.85 0.44 0.56 115.31 126.11 1ihq h LEU 31 Ca -0.00 -0.16 -0.24 0.00 0.84 0.00 0.00 57.88 58.32 1ihq h LEU 31 Cb 0.27 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.23 1ihq h LEU 31 CO 0.01 0.83 -0.94 0.11 -0.34 0.00 0.00 178.44 178.11 1ihq h LYS 32 N 0.17 0.57 0.00 1.25 1.57 0.15 0.25 116.57 120.53 1ihq h LYS 32 Ca -0.01 -0.58 -0.20 0.00 -1.87 0.00 0.00 60.65 58.00 1ihq h LYS 32 Cb 1.14 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1ihq h LYS 32 CO 0.10 1.20 -0.87 -0.22 -0.57 0.00 0.00 179.45 179.08 1ihq h LYS 33 N 0.34 0.17 -0.04 3.15 3.11 -1.10 0.22 116.57 122.42 1ihq h LYS 33 Ca -0.09 -0.19 -0.12 0.00 -2.81 0.00 0.00 60.65 57.44 1ihq h LYS 33 Cb 1.58 0.06 0.01 0.00 -1.00 0.00 0.00 32.23 32.87 1ihq h LYS 33 CO 0.18 0.94 -0.44 1.25 -2.81 0.00 0.00 179.45 178.57 1ihq h LEU 34 N 0.09 0.45 0.11 5.20 5.85 0.16 -3.31 115.31 123.87 1ihq h LEU 34 Ca -0.04 -0.71 -0.01 0.00 0.84 0.00 0.00 57.88 57.97 1ihq h LEU 34 Cb 1.50 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1ihq h LEU 34 CO 0.13 1.09 -0.05 -0.37 -0.34 0.00 0.00 178.44 178.90 1ihq h VAL 35 N -0.15 1.08 -4.46 1.05 -1.51 -0.53 -3.45 116.25 108.28 1ihq h VAL 35 Ca -0.04 -0.86 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 1ihq h VAL 35 Cb 1.13 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 1ihq h VAL 35 CO 0.09 0.20 0.00 0.61 -1.23 0.00 0.00 177.57 177.24 1ihq n GLY 36 N -0.04 -0.43 1.28 5.19 0.00 0.77 -4.84 105.19 107.12 1ihq n GLY 36 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.17 -3.03 0.00 1.61 -0.00 -1.26 -5.10 120.64 110.68 1ihq n GLU 37 Ca 0.00 -0.59 0.00 0.00 -0.00 0.00 0.00 57.16 56.57 1ihq n GLU 37 Cb 0.43 -0.75 0.00 0.00 -0.00 0.00 0.00 31.44 31.12 1ihq n GLU 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00