#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ojh s SER 8 N 0.00 5.86 0.23 1.96 0.15 -1.26 -4.86 113.70 115.77 1ojh s SER 8 Ca 0.00 2.16 -0.07 0.00 0.70 0.00 0.00 55.95 58.74 1ojh s SER 8 Cb 0.00 -2.58 0.20 0.00 -1.71 0.00 0.00 66.02 61.93 1ojh s SER 8 CO 0.00 -1.12 1.80 0.25 1.20 0.00 0.00 173.24 175.37 1ojh h LEU 9 N 1.35 1.08 -0.75 3.45 5.85 -2.05 -0.18 115.31 124.06 1ojh h LEU 9 Ca -0.50 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.00 1ojh h LEU 9 Cb 1.25 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1ojh h LEU 9 CO 0.58 0.94 0.21 -0.33 -0.34 0.00 0.00 178.44 179.50 1ojh h GLU 10 N 1.16 1.15 -0.18 1.25 4.39 -1.99 -1.71 114.58 118.64 1ojh h GLU 10 Ca 0.27 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1ojh h GLU 10 Cb 0.18 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1ojh h GLU 10 CO -0.03 0.99 -0.05 1.96 -1.16 0.00 0.00 179.01 180.72 1ojh h GLN 11 N 1.10 0.35 -0.87 2.33 4.20 -1.73 -2.35 115.11 118.14 1ojh h GLN 11 Ca 0.23 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1ojh h GLN 11 Cb 0.34 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1ojh h GLN 11 CO -0.00 0.63 0.56 1.96 -0.67 0.00 0.00 178.83 181.30 1ojh h GLN 12 N 0.05 1.16 -0.69 1.46 1.08 -1.02 -0.28 115.11 116.87 1ojh h GLN 12 Ca 0.04 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 1ojh h GLN 12 Cb 0.50 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 1ojh h GLN 12 CO 0.02 0.78 0.28 0.35 -0.95 0.00 0.00 178.83 179.31 1ojh h PHE 13 N 1.18 1.04 -0.48 2.96 3.57 -1.23 -1.10 116.94 122.89 1ojh h PHE 13 Ca 0.32 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 1ojh h PHE 13 Cb -0.11 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.30 1ojh h PHE 13 CO -0.01 0.81 0.00 1.03 -2.23 0.00 0.00 178.31 177.91 1ojh h SER 14 N 0.98 0.83 -0.35 0.41 0.87 -0.94 -1.40 113.55 113.95 1ojh h SER 14 Ca 0.23 -0.31 -0.12 0.00 -1.23 0.00 0.00 61.79 60.37 1ojh h SER 14 Cb 0.20 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1ojh h SER 14 CO -0.02 0.93 -0.21 0.40 -0.53 0.00 0.00 176.83 177.40 1ojh h ILE 15 N 0.70 1.27 -0.12 2.23 2.04 -0.87 -1.75 117.51 121.01 1ojh h ILE 15 Ca 0.14 -1.33 -0.17 0.00 1.00 0.00 0.00 64.86 64.49 1ojh h ILE 15 Cb 0.51 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1ojh h ILE 15 CO 0.02 0.45 -0.65 0.03 0.00 0.00 0.00 178.15 178.00 1ojh h ARG 16 N 0.73 0.48 -0.63 2.37 3.08 -1.08 -2.06 114.38 117.27 1ojh h ARG 16 Ca 0.10 -0.35 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 1ojh h ARG 16 Cb 0.74 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1ojh h ARG 16 CO 0.06 0.97 0.16 0.77 -1.07 0.00 0.00 179.97 180.86 1ojh h SER 17 N 0.34 0.95 -0.39 7.04 0.02 -1.12 -2.59 113.55 117.81 1ojh h SER 17 Ca -0.02 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1ojh h SER 17 Cb 1.21 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1ojh h SER 17 CO 0.12 0.94 0.26 0.15 -1.14 0.00 0.00 176.83 177.15 1ojh h PHE 18 N 0.93 0.49 -0.45 3.45 3.57 -1.21 -2.70 116.94 121.01 1ojh h PHE 18 Ca 0.20 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.77 1ojh h PHE 18 Cb 0.35 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1ojh h PHE 18 CO 0.03 0.30 0.30 0.00 -2.23 0.00 0.00 178.31 176.71 1ojh h ALA 19 N 1.14 1.97 -0.76 2.41 0.00 -1.10 -0.87 119.26 122.05 1ojh h ALA 19 Ca 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1ojh h ALA 19 Cb -0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1ojh h ALA 19 CO -0.03 -0.05 0.28 1.15 0.00 0.00 0.00 179.25 180.60 1ojh h THR 20 N 0.35 1.26 -0.65 0.00 2.02 -1.14 -1.75 112.91 113.00 1ojh h THR 20 Ca 0.20 -0.84 -0.09 0.00 0.77 0.00 0.00 66.41 66.44 1ojh h THR 20 Cb 0.32 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1ojh h THR 20 CO -0.05 0.34 0.06 1.56 0.37 0.00 0.00 175.52 177.80 1ojh h GLN 21 N 1.10 1.10 -0.05 6.66 1.08 -1.06 -3.18 115.11 120.77 1ojh h GLN 21 Ca 0.25 -0.32 -0.09 0.00 -1.45 0.00 0.00 58.65 57.04 1ojh h GLN 21 Cb 0.25 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1ojh h GLN 21 CO -0.02 1.03 -0.38 0.28 -0.95 0.00 0.00 178.83 178.80 1ojh h VAL 22 N 1.02 1.28 -0.53 -0.54 2.07 -0.97 -2.99 116.25 115.59 1ojh h VAL 22 Ca 0.19 -1.36 0.13 0.00 0.82 0.00 0.00 66.70 66.48 1ojh h VAL 22 Cb 0.50 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1ojh h VAL 22 CO 0.02 0.40 0.37 1.56 0.02 0.00 0.00 177.57 179.94 1ojh h GLN 23 N 0.09 0.11 -3.66 1.57 1.08 -1.30 -3.46 115.11 109.54 1ojh h GLN 23 Ca 0.01 -0.01 -0.79 0.00 -1.45 0.00 0.00 58.65 56.41 1ojh h GLN 23 Cb 0.71 -0.02 -0.27 0.00 -0.05 0.00 0.00 27.48 27.84 1ojh h GLN 23 CO 0.05 0.07 0.31 -0.80 -0.95 0.00 0.00 178.83 177.51 1ojh s ASN 24 N -6.24 7.08 0.43 1.46 -0.87 -1.13 -5.14 114.94 110.52 1ojh s ASN 24 Ca -0.06 -3.27 0.06 0.00 -1.57 0.00 0.00 52.86 48.02 1ojh s ASN 24 Cb 0.20 -2.20 -0.07 0.00 -0.02 0.00 0.00 41.25 39.16 1ojh s ASN 24 CO 0.73 -0.39 0.02 -0.94 -2.57 0.00 0.00 177.10 173.96 1ojh s SER 26 N 1.58 3.97 0.14 -1.22 1.04 -1.26 -5.12 113.70 112.83 1ojh s SER 26 Ca 0.26 -1.39 -0.23 0.00 0.48 0.00 0.00 55.95 55.07 1ojh s SER 26 Cb -0.10 -0.25 0.01 0.00 0.10 0.00 0.00 66.02 65.77 1ojh s SER 26 CO -0.08 -0.53 1.64 -0.74 0.98 0.00 0.00 173.24 174.51 1ojh h HIS 27 N 1.67 -0.57 -0.38 5.02 2.76 -2.00 -0.64 115.15 121.02 1ojh h HIS 27 Ca -0.44 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 57.64 1ojh h HIS 27 Cb 1.25 0.28 -0.01 0.00 1.55 0.00 0.00 27.41 30.48 1ojh h HIS 27 CO 0.85 -0.29 -0.25 -0.44 -1.30 0.00 0.00 177.93 176.49 1ojh h ASP 28 N -0.25 0.80 -0.68 3.26 3.32 -2.04 -1.88 116.42 118.95 1ojh h ASP 28 Ca 0.12 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1ojh h ASP 28 Cb 0.42 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1ojh h ASP 28 CO -0.33 1.02 0.34 1.56 -1.72 0.00 0.00 179.24 180.12 1ojh h GLN 29 N 0.68 0.97 -0.33 3.56 4.20 -1.96 -0.83 115.11 121.39 1ojh h GLN 29 Ca 0.09 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1ojh h GLN 29 Cb 0.78 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1ojh h GLN 29 CO 0.06 0.76 0.14 0.00 -0.67 0.00 0.00 178.83 179.12 1ojh h ALA 30 N 1.16 0.43 -0.59 3.87 0.00 -0.90 -0.49 119.26 122.75 1ojh h ALA 30 Ca 0.24 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ojh h ALA 30 Cb 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ojh h ALA 30 CO -0.03 0.03 0.09 0.87 0.00 0.00 0.00 179.25 180.20 1ojh h LYS 31 N 0.39 0.98 -0.42 0.00 1.57 -1.27 -0.83 116.57 117.00 1ojh h LYS 31 Ca 0.11 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 1ojh h LYS 31 Cb 0.18 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1ojh h LYS 31 CO -0.01 0.94 -0.14 -0.44 -0.57 0.00 0.00 179.45 179.23 1ojh h ASP 32 N 0.88 0.76 -0.28 0.86 3.32 -0.96 -2.49 116.42 118.52 1ojh h ASP 32 Ca 0.18 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 1ojh h ASP 32 Cb 0.43 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1ojh h ASP 32 CO 0.01 0.92 -0.20 0.15 -1.72 0.00 0.00 179.24 178.40 1ojh h PHE 33 N 0.69 0.74 -0.18 4.55 3.04 -0.89 -1.98 116.94 122.90 1ojh h PHE 33 Ca 0.11 -0.20 0.05 0.00 3.98 0.00 0.00 57.97 61.90 1ojh h PHE 33 Cb 0.63 -0.16 -0.05 0.00 2.56 0.00 0.00 35.95 38.92 1ojh h PHE 33 CO 0.03 0.90 -0.12 -0.07 -2.02 0.00 0.00 178.31 177.04 1ojh h LEU 34 N 0.37 -0.38 -0.66 0.59 3.38 -1.01 0.73 115.31 118.33 1ojh h LEU 34 Ca 0.05 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1ojh h LEU 34 Cb 0.74 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1ojh h LEU 34 CO 0.05 -0.15 0.43 0.58 0.09 0.00 0.00 178.44 179.44 1ojh h VAL 35 N -0.11 1.15 -0.39 1.22 2.07 -1.41 -0.90 116.25 117.88 1ojh h VAL 35 Ca 0.11 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.19 1ojh h VAL 35 Cb 0.27 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1ojh h VAL 35 CO -0.25 0.16 -0.31 0.50 0.02 0.00 0.00 177.57 177.69 1ojh h LYS 36 N 0.87 0.85 -0.26 1.57 3.64 -0.92 -2.03 116.57 120.29 1ojh h LYS 36 Ca 0.25 -0.40 -0.10 0.00 -1.27 0.00 0.00 60.65 59.13 1ojh h LYS 36 Cb -0.07 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1ojh h LYS 36 CO -0.07 1.04 -0.24 1.25 -2.27 0.00 0.00 179.45 179.16 1ojh h LEU 37 N 0.72 0.66 -0.69 5.20 5.85 -0.66 -2.33 115.31 124.06 1ojh h LEU 37 Ca 0.08 -0.47 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 1ojh h LEU 37 Cb 0.87 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1ojh h LEU 37 CO 0.08 0.99 0.15 0.22 -0.34 0.00 0.00 178.44 179.54 1ojh h TYR 38 N 0.34 1.18 -0.73 1.25 3.20 -1.13 -2.78 116.97 118.31 1ojh h TYR 38 Ca 0.04 -0.15 0.02 0.00 3.14 0.00 0.00 58.73 61.79 1ojh h TYR 38 Cb 0.80 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 1ojh h TYR 38 CO 0.07 0.97 0.47 1.49 -1.64 0.00 0.00 178.16 179.52 1ojh h GLU 39 N 1.05 0.91 -1.80 1.82 4.81 -1.25 -0.90 114.58 119.23 1ojh h GLU 39 Ca 0.22 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1ojh h GLU 39 Cb 0.39 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ojh h GLU 39 CO 0.01 0.60 0.00 1.04 -0.73 0.00 0.00 179.01 179.92 1ojh n GLN 40 N -4.62 0.21 0.00 1.92 6.02 -0.89 -1.10 117.38 118.92 1ojh n GLN 40 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1ojh n GLN 40 Cb 0.06 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 29.92 1ojh n GLN 40 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ojh n VAL 42 N 0.92 0.00 -0.23 5.09 0.31 -0.34 -1.18 118.33 122.89 1ojh n VAL 42 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1ojh n VAL 42 Cb 0.10 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.07 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 1.22 -0.64 2.52 2.07 -1.38 -0.89 116.25 119.16 1ojh h VAL 43 Ca 0.00 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 1ojh h VAL 43 Cb 0.00 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1ojh h VAL 43 CO 0.00 0.26 0.12 0.03 0.02 0.00 0.00 177.57 178.00 1ojh h ARG 44 N 0.88 1.04 -0.26 1.57 3.08 -1.40 -1.08 114.38 118.21 1ojh h ARG 44 Ca 0.22 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1ojh h ARG 44 Cb 0.12 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1ojh h ARG 44 CO -0.03 0.95 0.16 1.49 -1.07 0.00 0.00 179.97 181.48 1ojh h GLU 45 N 0.95 0.36 -0.71 0.04 4.81 -1.76 -0.89 114.58 117.39 1ojh h GLU 45 Ca 0.20 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1ojh h GLU 45 Cb 0.40 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 1ojh h GLU 45 CO 0.01 0.27 0.47 0.00 -0.73 0.00 0.00 179.01 179.03 1ojh h ALA 46 N 1.06 1.52 -0.14 2.92 0.00 -0.84 -0.92 119.26 122.86 1ojh h ALA 46 Ca 0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ojh h ALA 46 Cb 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1ojh h ALA 46 CO -0.02 0.44 -0.06 1.15 0.00 0.00 0.00 179.25 180.76 1ojh h THR 47 N 0.93 1.31 -0.71 0.00 2.02 -0.74 -1.57 112.91 114.15 1ojh h THR 47 Ca 0.26 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 1ojh h THR 47 Cb -0.07 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 1ojh h THR 47 CO -0.06 0.31 0.35 1.88 0.37 0.00 0.00 175.52 178.37 1ojh h TYR 48 N -0.03 1.02 -0.83 3.16 0.05 -0.95 -2.15 116.97 117.24 1ojh h TYR 48 Ca 0.03 -0.05 0.04 0.00 0.05 0.00 0.00 58.73 58.80 1ojh h TYR 48 Cb 0.51 -0.32 -0.05 0.00 1.01 0.00 0.00 36.73 37.88 1ojh h TYR 48 CO 0.06 0.76 0.53 1.96 -1.05 0.00 0.00 178.16 180.42 1ojh h GLN 49 N 1.00 1.00 -0.12 4.88 4.20 -1.07 -0.40 115.11 124.59 1ojh h GLN 49 Ca 0.25 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1ojh h GLN 49 Cb 0.11 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1ojh h GLN 49 CO -0.03 0.66 0.08 1.49 -0.67 0.00 0.00 178.83 180.36 1ojh h GLU 50 N 1.03 0.16 -0.88 1.46 4.57 -1.01 -2.31 114.58 117.60 1ojh h GLU 50 Ca 0.34 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.51 1ojh h GLU 50 Cb 0.03 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 1ojh h GLU 50 CO -0.12 0.12 0.57 -0.07 -1.18 0.00 0.00 179.01 178.32 1ojh h LEU 51 N 0.16 1.02 0.00 1.64 3.38 -0.97 -2.84 115.31 117.70 1ojh h LEU 51 Ca 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ojh h LEU 51 Cb -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1ojh h LEU 51 CO -0.01 0.75 0.00 0.18 0.09 0.00 0.00 178.44 179.45 1ojh n LEU 52 N -4.46 0.00 0.19 1.67 4.77 -0.20 -2.36 117.00 116.61 1ojh n LEU 52 Ca 0.09 0.45 0.13 0.00 -0.03 0.00 0.00 56.01 56.66 1ojh n LEU 52 Cb 0.02 -0.45 0.36 0.00 -2.33 0.00 0.00 43.42 41.02 1ojh n LEU 52 CO 0.37 -0.15 0.87 0.11 -1.33 0.00 0.00 177.39 177.26 1ojh h LYS 53 N 0.00 0.00 -6.63 3.23 1.57 -1.16 -3.46 116.57 110.11 1ojh h LYS 53 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1ojh h LYS 53 Cb 0.30 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.65 1ojh h LYS 53 CO 0.00 0.00 0.79 -1.58 -0.57 0.00 0.00 179.45 178.09 1ojh s HIS 54 N -3.27 3.11 -0.37 -1.35 2.46 -0.99 -4.96 115.29 109.91 1ojh s HIS 54 Ca 0.07 0.85 -0.15 0.00 0.47 0.00 0.00 55.06 56.30 1ojh s HIS 54 Cb 0.08 -3.81 0.00 0.00 -0.13 0.00 0.00 32.58 28.72 1ojh s HIS 54 CO 0.60 -2.86 0.31 -0.65 -2.47 0.00 0.00 174.74 169.67 1ojh s GLN 55 N 0.66 3.30 0.37 2.88 1.11 -1.26 -5.06 119.66 121.65 1ojh s GLN 55 Ca 0.65 -0.73 -0.25 0.00 0.01 0.00 0.00 55.36 55.04 1ojh s GLN 55 Cb -0.41 -3.88 -0.09 0.00 -1.01 0.00 0.00 33.01 27.62 1ojh s GLN 55 CO 0.34 -0.61 1.04 -1.58 0.01 0.00 0.00 175.29 174.50 1ojh s TRP 56 N 1.83 3.38 0.00 0.91 0.52 -1.26 -5.28 118.94 119.04 1ojh s TRP 56 Ca 0.08 1.67 0.00 0.00 0.02 0.00 0.00 56.10 57.87 1ojh s TRP 56 Cb -0.18 -3.13 0.00 0.00 -1.15 0.00 0.00 33.47 29.02 1ojh s TRP 56 CO 0.11 -0.50 0.00 0.41 0.02 0.00 0.00 176.95 176.99