#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ojh s GLU 6 N 0.00 4.14 0.28 9.51 4.04 -1.26 -5.06 118.70 130.35 1ojh s GLU 6 Ca 0.00 0.67 -0.28 0.00 0.04 0.00 0.00 54.97 55.39 1ojh s GLU 6 Cb 0.00 -3.64 -0.09 0.00 0.02 0.00 0.00 34.13 30.41 1ojh s GLU 6 CO 0.00 -0.43 0.94 -0.51 -1.84 0.00 0.00 175.26 173.43 1ojh s LEU 7 N 2.55 4.51 1.03 1.83 1.43 -1.26 -5.07 118.68 123.71 1ojh s LEU 7 Ca 0.29 1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 55.17 1ojh s LEU 7 Cb -0.15 -3.79 0.19 0.00 0.03 0.00 0.00 46.19 42.47 1ojh s LEU 7 CO 0.08 0.06 0.96 -1.54 0.23 0.00 0.00 176.35 176.14 1ojh n SER 8 N 1.08 -0.85 -0.24 2.29 3.41 -1.26 -4.72 113.62 113.33 1ojh n SER 8 Ca -0.00 0.15 -0.05 0.00 -0.26 0.00 0.00 58.87 58.71 1ojh n SER 8 Cb 0.48 -1.34 0.05 0.00 -0.26 0.00 0.00 64.21 63.15 1ojh n SER 8 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ojh h LEU 9 N -2.19 0.76 -0.33 1.04 4.07 -1.99 -1.03 115.31 115.64 1ojh h LEU 9 Ca -0.51 -0.02 0.07 0.00 0.08 0.00 0.00 57.88 57.51 1ojh h LEU 9 Cb 1.30 -0.19 -0.08 0.00 1.08 0.00 0.00 40.66 42.77 1ojh h LEU 9 CO 0.43 0.55 -0.29 -0.33 -1.08 0.00 0.00 178.44 177.72 1ojh h GLU 10 N 0.90 -0.24 -0.25 1.13 5.08 -1.99 -1.85 114.58 117.36 1ojh h GLU 10 Ca 0.25 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1ojh h GLU 10 Cb -0.09 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1ojh h GLU 10 CO -0.06 -0.16 0.07 1.96 -1.00 0.00 0.00 179.01 179.82 1ojh h GLN 11 N -0.25 0.39 -0.56 2.33 4.20 -1.78 -1.02 115.11 118.42 1ojh h GLN 11 Ca 0.16 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1ojh h GLN 11 Cb 0.51 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1ojh h GLN 11 CO -0.48 0.47 0.31 1.96 -0.67 0.00 0.00 178.83 180.42 1ojh h GLN 12 N 0.23 0.77 -0.21 1.46 4.20 -1.15 -2.34 115.11 118.07 1ojh h GLN 12 Ca 0.08 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 1ojh h GLN 12 Cb 0.25 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1ojh h GLN 12 CO -0.00 0.59 -0.36 0.35 -0.67 0.00 0.00 178.83 178.74 1ojh h PHE 13 N 0.75 0.53 -0.98 2.96 3.57 -1.24 -2.69 116.94 119.84 1ojh h PHE 13 Ca 0.20 -0.14 0.05 0.00 3.53 0.00 0.00 57.97 61.61 1ojh h PHE 13 Cb 0.04 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 1ojh h PHE 13 CO -0.01 0.76 0.63 0.66 -2.23 0.00 0.00 178.31 178.11 1ojh h SER 14 N 0.38 1.03 -0.71 0.41 4.64 -0.66 0.10 113.55 118.74 1ojh h SER 14 Ca 0.04 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.30 1ojh h SER 14 Cb 0.81 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.65 1ojh h SER 14 CO 0.07 0.67 0.19 0.40 -0.87 0.00 0.00 176.83 177.28 1ojh h ILE 15 N 1.18 1.26 -0.26 0.95 2.04 -1.15 -1.01 117.51 120.52 1ojh h ILE 15 Ca 0.41 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1ojh h ILE 15 Cb 0.11 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1ojh h ILE 15 CO -0.16 0.37 0.03 -0.09 0.00 0.00 0.00 178.15 178.31 1ojh h ARG 16 N 1.08 0.45 -0.56 2.37 2.43 -1.16 -1.95 114.38 117.04 1ojh h ARG 16 Ca 0.23 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1ojh h ARG 16 Cb 0.36 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1ojh h ARG 16 CO -0.00 0.58 0.34 0.77 -1.51 0.00 0.00 179.97 180.15 1ojh h SER 17 N 0.25 0.56 -0.55 -3.80 0.02 -0.76 -2.38 113.55 106.89 1ojh h SER 17 Ca 0.08 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1ojh h SER 17 Cb 0.36 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1ojh h SER 17 CO 0.01 0.39 0.33 0.15 -1.14 0.00 0.00 176.83 176.57 1ojh h PHE 18 N 0.68 0.62 -0.92 3.45 3.57 -1.13 -1.08 116.94 122.12 1ojh h PHE 18 Ca 0.22 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.82 1ojh h PHE 18 Cb 0.01 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.48 1ojh h PHE 18 CO -0.06 0.36 0.58 0.00 -2.23 0.00 0.00 178.31 176.96 1ojh h ALA 19 N 1.24 1.31 -0.52 2.41 0.00 -0.89 0.01 119.26 122.81 1ojh h ALA 19 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1ojh h ALA 19 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1ojh h ALA 19 CO -0.09 0.28 0.01 1.15 0.00 0.00 0.00 179.25 180.60 1ojh h THR 20 N 1.00 1.26 -0.91 0.00 2.02 -0.97 -2.49 112.91 112.83 1ojh h THR 20 Ca 0.42 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1ojh h THR 20 Cb 0.27 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1ojh h THR 20 CO -0.20 0.38 0.53 1.56 0.37 0.00 0.00 175.52 178.16 1ojh h GLN 21 N 0.79 1.24 -0.71 6.66 4.20 -0.44 -2.63 115.11 124.22 1ojh h GLN 21 Ca 0.15 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1ojh h GLN 21 Cb 0.51 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1ojh h GLN 21 CO 0.02 0.87 0.27 0.28 -0.67 0.00 0.00 178.83 179.61 1ojh h VAL 22 N 1.25 1.24 0.00 -0.54 2.07 -0.86 -1.44 116.25 117.98 1ojh h VAL 22 Ca 0.32 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1ojh h VAL 22 Cb -0.03 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1ojh h VAL 22 CO -0.06 0.31 -0.05 1.56 0.02 0.00 0.00 177.57 179.35 1ojh h GLN 23 N 1.03 0.00 -3.28 1.57 1.08 -1.09 -3.45 115.11 110.97 1ojh h GLN 23 Ca 0.24 0.00 -0.76 0.00 -1.45 0.00 0.00 58.65 56.68 1ojh h GLN 23 Cb 0.21 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 27.49 1ojh h GLN 23 CO -0.02 0.05 2.01 -1.71 -0.95 0.00 0.00 178.83 178.21 1ojh n ASN 24 N -4.05 5.73 -4.70 1.46 5.15 -0.55 -5.12 115.26 113.19 1ojh n ASN 24 Ca -0.03 -3.14 -0.24 0.00 -0.60 0.00 0.00 54.58 50.57 1ojh n ASN 24 Cb 0.14 -1.44 -0.07 0.00 -0.53 0.00 0.00 39.78 37.88 1ojh n ASN 24 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1ojh s SER 26 N 0.55 4.49 0.20 1.20 1.04 -1.26 -5.09 113.70 114.83 1ojh s SER 26 Ca 0.41 -0.87 -0.11 0.00 0.48 0.00 0.00 55.95 55.87 1ojh s SER 26 Cb 0.11 -0.64 0.27 0.00 0.10 0.00 0.00 66.02 65.85 1ojh s SER 26 CO -0.01 -0.29 1.70 -0.74 0.98 0.00 0.00 173.24 174.88 1ojh h HIS 27 N 1.63 0.15 -0.37 5.02 2.76 -2.00 -1.18 115.15 121.16 1ojh h HIS 27 Ca -0.43 0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 57.63 1ojh h HIS 27 Cb 1.25 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.22 1ojh h HIS 27 CO 0.65 -0.05 -0.34 -0.44 -1.30 0.00 0.00 177.93 176.46 1ojh h ASP 28 N 0.23 0.89 -0.47 3.26 3.32 -2.04 -1.48 116.42 120.13 1ojh h ASP 28 Ca 0.30 -0.38 0.04 0.00 0.02 0.00 0.00 57.03 57.01 1ojh h ASP 28 Cb 0.44 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 1ojh h ASP 28 CO -0.40 1.14 0.23 1.56 -1.72 0.00 0.00 179.24 180.05 1ojh h GLN 29 N 0.71 0.44 -0.36 3.56 4.20 -1.92 -0.94 115.11 120.79 1ojh h GLN 29 Ca 0.07 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1ojh h GLN 29 Cb 0.90 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1ojh h GLN 29 CO 0.08 0.29 -0.05 0.00 -0.67 0.00 0.00 178.83 178.48 1ojh h ALA 30 N 1.26 0.50 -0.44 3.87 0.00 -0.96 -0.79 119.26 122.70 1ojh h ALA 30 Ca 0.21 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1ojh h ALA 30 Cb 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ojh h ALA 30 CO -0.16 0.31 -0.02 0.87 0.00 0.00 0.00 179.25 180.26 1ojh h LYS 31 N 0.48 0.78 -0.75 0.00 1.57 -1.21 -0.09 116.57 117.36 1ojh h LYS 31 Ca 0.10 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1ojh h LYS 31 Cb 0.54 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1ojh h LYS 31 CO 0.03 0.86 0.49 -0.44 -0.57 0.00 0.00 179.45 179.81 1ojh h ASP 32 N 0.62 0.82 -0.61 0.86 3.32 -1.12 -2.48 116.42 117.83 1ojh h ASP 32 Ca 0.12 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1ojh h ASP 32 Cb 0.52 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1ojh h ASP 32 CO 0.03 0.58 0.26 0.15 -1.72 0.00 0.00 179.24 178.53 1ojh h PHE 33 N 0.97 0.91 -0.49 4.55 3.04 -0.92 -1.68 116.94 123.32 1ojh h PHE 33 Ca 0.29 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.18 1ojh h PHE 33 Cb -0.04 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.17 1ojh h PHE 33 CO -0.03 0.71 0.29 1.25 -2.02 0.00 0.00 178.31 178.51 1ojh h LEU 34 N 0.85 0.60 -0.35 0.59 6.46 -0.81 0.20 115.31 122.85 1ojh h LEU 34 Ca 0.21 -0.07 -0.19 0.00 -0.12 0.00 0.00 57.88 57.71 1ojh h LEU 34 Cb 0.17 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1ojh h LEU 34 CO -0.02 0.49 -0.71 0.58 -0.62 0.00 0.00 178.44 178.16 1ojh h VAL 35 N 0.65 1.34 -0.36 1.05 2.07 -1.27 -1.85 116.25 117.87 1ojh h VAL 35 Ca 0.17 -2.03 -0.08 0.00 0.82 0.00 0.00 66.70 65.58 1ojh h VAL 35 Cb 0.01 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1ojh h VAL 35 CO -0.03 0.62 -0.10 0.50 0.02 0.00 0.00 177.57 178.58 1ojh h LYS 36 N 0.39 0.71 -0.42 1.57 1.63 -0.89 -1.59 116.57 117.96 1ojh h LYS 36 Ca -0.03 -0.28 0.07 0.00 -0.85 0.00 0.00 60.65 59.56 1ojh h LYS 36 Cb 1.30 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.84 1ojh h LYS 36 CO 0.13 0.87 0.09 1.25 -3.45 0.00 0.00 179.45 178.34 1ojh h LEU 37 N 0.50 0.01 -0.09 5.20 5.85 -0.93 -1.12 115.31 124.74 1ojh h LEU 37 Ca 0.09 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1ojh h LEU 37 Cb 0.62 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1ojh h LEU 37 CO 0.04 0.04 0.04 0.22 -0.34 0.00 0.00 178.44 178.45 1ojh h TYR 38 N 0.22 0.13 -0.44 1.25 3.20 -1.20 -2.65 116.97 117.49 1ojh h TYR 38 Ca 0.21 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.15 1ojh h TYR 38 Cb 0.25 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.40 1ojh h TYR 38 CO -0.20 0.20 -0.04 1.49 -1.64 0.00 0.00 178.16 177.97 1ojh h GLU 39 N 0.03 0.07 -1.79 1.82 4.81 -1.15 -0.72 114.58 117.64 1ojh h GLU 39 Ca 0.03 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1ojh h GLU 39 Cb 0.12 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1ojh h GLU 39 CO -0.00 0.04 0.00 1.04 -0.73 0.00 0.00 179.01 179.36 1ojh n GLN 40 N -5.25 0.61 0.00 1.92 1.13 -0.44 -1.65 117.38 113.70 1ojh n GLN 40 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 1ojh n GLN 40 Cb 0.24 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.39 1ojh n GLN 40 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1ojh n VAL 42 N 1.35 0.00 -0.30 5.09 0.31 -0.28 -1.76 118.33 122.75 1ojh n VAL 42 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1ojh n VAL 42 Cb 0.31 0.00 0.14 0.00 -0.91 0.00 0.00 33.84 33.38 1ojh n VAL 42 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ojh h VAL 43 N 0.00 1.01 0.00 2.52 2.07 -1.58 -2.69 116.25 117.58 1ojh h VAL 43 Ca 0.00 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1ojh h VAL 43 Cb 0.00 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 1ojh h VAL 43 CO 0.00 0.16 -0.23 -0.09 0.02 0.00 0.00 177.57 177.44 1ojh h ARG 44 N 0.90 0.00 -0.82 1.57 9.65 -1.62 -2.99 114.38 121.06 1ojh h ARG 44 Ca 0.37 0.00 0.19 0.00 -1.10 0.00 0.00 59.98 59.44 1ojh h ARG 44 Cb 0.21 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.74 1ojh h ARG 44 CO -0.19 0.23 0.56 0.93 2.80 0.00 0.00 179.97 184.30 1ojh h GLU 45 N 0.00 0.29 -0.83 0.20 5.08 -1.76 -2.00 114.58 115.56 1ojh h GLU 45 Ca -0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1ojh h GLU 45 Cb 0.54 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1ojh h GLU 45 CO 0.03 0.19 0.42 0.00 -1.00 0.00 0.00 179.01 178.65 1ojh h ALA 46 N 1.62 1.18 -0.58 3.43 0.00 -1.68 -0.59 119.26 122.64 1ojh h ALA 46 Ca 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ojh h ALA 46 Cb 1.15 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1ojh h ALA 46 CO -0.12 0.64 0.37 1.15 0.00 0.00 0.00 179.25 181.29 1ojh h THR 47 N 1.17 1.16 -0.56 0.00 2.02 -1.57 -2.35 112.91 112.78 1ojh h THR 47 Ca 0.29 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 1ojh h THR 47 Cb 0.08 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1ojh h THR 47 CO -0.04 0.15 -0.00 1.88 0.37 0.00 0.00 175.52 177.88 1ojh h TYR 48 N 0.78 1.08 -0.60 3.16 0.05 -1.27 -2.77 116.97 117.41 1ojh h TYR 48 Ca 0.21 -0.19 0.03 0.00 0.05 0.00 0.00 58.73 58.83 1ojh h TYR 48 Cb -0.07 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.36 1ojh h TYR 48 CO -0.03 0.98 0.39 1.96 -1.05 0.00 0.00 178.16 180.41 1ojh h GLN 49 N 0.87 0.68 -0.61 4.88 1.08 -1.00 -1.95 115.11 119.08 1ojh h GLN 49 Ca 0.16 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.27 1ojh h GLN 49 Cb 0.55 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.80 1ojh h GLN 49 CO 0.03 0.45 0.18 0.93 -0.95 0.00 0.00 178.83 179.47 1ojh h GLU 50 N 0.70 0.93 -0.35 1.46 5.08 -1.13 -2.20 114.58 119.08 1ojh h GLU 50 Ca 0.24 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1ojh h GLU 50 Cb 0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1ojh h GLU 50 CO -0.06 0.81 -0.06 1.25 -1.00 0.00 0.00 179.01 179.95 1ojh h LEU 51 N 0.90 0.65 -0.17 1.33 6.46 -1.43 -3.30 115.31 119.75 1ojh h LEU 51 Ca 0.20 -0.35 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1ojh h LEU 51 Cb 0.28 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 1ojh h LEU 51 CO -0.01 0.85 0.00 0.18 -0.62 0.00 0.00 178.44 178.84 1ojh n LEU 52 N -4.44 0.20 0.01 2.25 4.77 -0.77 -2.56 117.00 116.46 1ojh n LEU 52 Ca -0.02 0.54 -0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1ojh n LEU 52 Cb 0.32 -0.51 -0.14 0.00 -2.33 0.00 0.00 43.42 40.76 1ojh n LEU 52 CO 0.41 -0.29 -0.40 0.07 -1.33 0.00 0.00 177.39 175.85 1ojh h LYS 53 N 0.00 0.06 0.00 3.23 2.10 -1.50 -3.51 116.57 116.96 1ojh h LYS 53 Ca 0.00 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1ojh h LYS 53 Cb 0.33 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1ojh h LYS 53 CO 0.00 0.74 0.00 0.72 -2.00 0.00 0.00 179.45 178.91