#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bh9 n PHE 32 N 0.00 -2.97 0.05 1.96 1.16 -1.26 -5.02 117.46 111.39 1bh9 n PHE 32 Ca 0.00 -1.77 -0.17 0.00 -1.87 0.00 0.00 57.45 53.64 1bh9 n PHE 32 Cb 0.00 1.55 -0.14 0.00 -1.61 0.00 0.00 39.48 39.28 1bh9 n PHE 32 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1bh9 h SER 33 N 3.61 0.38 0.00 5.98 0.87 -1.98 -2.93 113.55 119.48 1bh9 h SER 33 Ca -0.15 -0.57 -0.00 0.00 -1.23 0.00 0.00 61.79 59.85 1bh9 h SER 33 Cb 1.07 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1bh9 h SER 33 CO 0.23 1.48 -0.00 0.50 -0.53 0.00 0.00 176.83 178.51 1bh9 h LYS 34 N 0.07 -0.00 -0.67 2.24 3.64 -1.99 -1.65 116.57 118.21 1bh9 h LYS 34 Ca -0.27 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.21 1bh9 h LYS 34 Cb 2.02 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.80 1bh9 h LYS 34 CO 0.15 0.76 0.44 0.93 -2.27 0.00 0.00 179.45 179.47 1bh9 h GLU 35 N -0.78 0.49 -0.11 1.90 3.07 -1.99 0.34 114.58 117.51 1bh9 h GLU 35 Ca -0.00 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.71 1bh9 h GLU 35 Cb 0.77 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.56 1bh9 h GLU 35 CO 0.00 0.32 -0.48 1.25 -1.40 0.00 0.00 179.01 178.70 1bh9 h LEU 36 N 0.51 0.31 -0.27 1.33 5.85 -1.50 -1.42 115.31 120.11 1bh9 h LEU 36 Ca 0.31 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 1bh9 h LEU 36 Cb 0.53 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1bh9 h LEU 36 CO -0.10 0.74 -0.35 0.03 -0.34 0.00 0.00 178.44 178.42 1bh9 h ARG 37 N 0.23 0.72 -0.31 1.25 3.08 0.65 0.07 114.38 120.08 1bh9 h ARG 37 Ca 0.01 -0.41 -0.10 0.00 0.07 0.00 0.00 59.98 59.55 1bh9 h ARG 37 Cb 0.94 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1bh9 h ARG 37 CO 0.08 1.03 -0.23 0.00 -1.07 0.00 0.00 179.97 179.78 1bh9 h MET 39 N 0.53 0.64 -0.33 0.00 -1.53 -1.08 0.54 114.93 113.71 1bh9 h MET 39 Ca 0.08 -0.16 -0.11 0.00 -3.44 0.00 0.00 59.70 56.07 1bh9 h MET 39 Cb 0.68 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.64 1bh9 h MET 39 CO 0.05 0.67 -0.25 0.52 0.14 0.00 0.00 176.91 178.04 1bh9 h MET 40 N 0.50 0.65 -0.18 0.39 2.07 -0.86 -1.91 114.93 115.58 1bh9 h MET 40 Ca 0.12 -0.26 -0.07 0.00 -2.07 0.00 0.00 59.70 57.43 1bh9 h MET 40 Cb 0.32 -0.03 -0.00 0.00 -1.87 0.00 0.00 31.60 30.02 1bh9 h MET 40 CO 0.00 0.84 -0.15 -0.92 1.07 0.00 0.00 176.91 177.75 1bh9 h TYR 41 N 0.56 0.51 -0.00 -0.22 3.20 -0.91 -1.21 116.97 118.90 1bh9 h TYR 41 Ca 0.08 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1bh9 h TYR 41 Cb 0.72 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 1bh9 h TYR 41 CO 0.03 0.78 0.01 0.78 -1.64 0.00 0.00 178.16 178.11 1bh9 h GLY 42 N 0.09 0.00 -1.21 1.82 0.00 0.26 -1.36 103.07 102.67 1bh9 h GLY 42 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1bh9 h GLY 42 CO 0.04 0.00 -0.08 0.69 0.00 0.00 0.00 176.54 177.19 1bh9 n PHE 43 N -3.31 0.00 0.00 5.60 3.72 -0.73 -4.96 117.46 117.78 1bh9 n PHE 43 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1bh9 n PHE 43 Cb 0.08 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1bh9 n PHE 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bh9 n GLY 44 N 1.31 0.93 3.92 1.37 0.00 -0.51 -5.07 105.19 107.13 1bh9 n GLY 44 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1bh9 n GLY 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bh9 s ASP 45 N -0.07 5.11 0.51 1.61 2.15 -0.49 -5.00 116.67 120.48 1bh9 s ASP 45 Ca 0.00 0.57 -0.21 0.00 0.43 0.00 0.00 52.55 53.34 1bh9 s ASP 45 Cb 0.00 -1.34 -0.09 0.00 -0.30 0.00 0.00 42.92 41.19 1bh9 s ASP 45 CO 0.00 -1.40 0.82 -0.67 -0.17 0.00 0.00 175.17 173.75 1bh9 n ASP 46 N -2.80 0.30 -0.03 -0.34 2.03 -1.26 -4.53 116.55 109.92 1bh9 n ASP 46 Ca 0.07 0.88 0.24 0.00 0.52 0.00 0.00 54.79 56.50 1bh9 n ASP 46 Cb 0.59 -1.29 0.71 0.00 -0.72 0.00 0.00 41.12 40.41 1bh9 n ASP 46 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1bh9 h GLN 47 N 0.84 0.00 -2.73 -0.67 4.15 -1.94 -3.12 115.11 111.63 1bh9 h GLN 47 Ca -0.45 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.37 1bh9 h GLN 47 Cb 1.37 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 28.66 1bh9 h GLN 47 CO 0.52 0.00 -0.81 1.21 -1.93 0.00 0.00 178.83 177.82 1bh9 s ASN 48 N -5.14 3.11 1.19 -0.69 3.84 -1.26 -4.95 114.94 111.03 1bh9 s ASN 48 Ca -0.04 -2.53 -0.14 0.00 0.21 0.00 0.00 52.86 50.36 1bh9 s ASN 48 Cb 0.17 -0.70 0.29 0.00 -0.55 0.00 0.00 41.25 40.47 1bh9 s ASN 48 CO 0.61 -0.27 1.02 -2.16 -2.79 0.00 0.00 177.10 173.51 1bh9 s PRO 49 N 0.57 -1.08 0.10 0.43 0.04 -1.18 -5.01 135.00 128.87 1bh9 s PRO 49 Ca 0.20 0.70 -0.22 0.00 0.04 0.00 0.00 61.00 61.71 1bh9 s PRO 49 Cb -0.19 -1.55 -0.07 0.00 0.04 0.00 0.00 34.50 32.73 1bh9 s PRO 49 CO -0.03 -3.80 0.67 0.71 0.04 0.00 0.00 177.00 174.60 1bh9 s TYR 50 N -2.50 3.84 0.22 0.56 2.02 -1.26 -5.00 117.35 115.23 1bh9 s TYR 50 Ca 0.68 1.44 -0.09 0.00 -0.37 0.00 0.00 57.07 58.74 1bh9 s TYR 50 Cb -0.23 -2.65 0.21 0.00 -0.40 0.00 0.00 41.96 38.89 1bh9 s TYR 50 CO 0.64 0.52 1.89 1.15 -1.57 0.00 0.00 175.55 178.17 1bh9 h THR 51 N 3.53 1.18 0.00 -0.71 2.02 -1.99 -1.74 112.91 115.20 1bh9 h THR 51 Ca -0.48 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1bh9 h THR 51 Cb 1.21 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1bh9 h THR 51 CO 0.66 0.20 -0.05 -0.33 0.37 0.00 0.00 175.52 176.36 1bh9 h GLU 52 N 1.08 0.00 0.18 6.66 3.07 -2.00 -2.27 114.58 121.30 1bh9 h GLU 52 Ca 0.31 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.87 1bh9 h GLU 52 Cb -0.07 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1bh9 h GLU 52 CO -0.09 0.05 -1.33 0.77 -1.40 0.00 0.00 179.01 177.01 1bh9 h SER 53 N 0.00 0.70 -0.64 1.42 0.02 -1.75 -2.95 113.55 110.35 1bh9 h SER 53 Ca -0.00 -0.72 -0.02 0.00 -0.84 0.00 0.00 61.79 60.21 1bh9 h SER 53 Cb 0.11 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1bh9 h SER 53 CO 0.01 1.55 0.31 0.58 -1.14 0.00 0.00 176.83 178.14 1bh9 h VAL 54 N 0.15 1.22 0.08 2.27 2.07 -0.88 -1.95 116.25 119.20 1bh9 h VAL 54 Ca -0.20 -0.61 -0.28 0.00 0.82 0.00 0.00 66.70 66.43 1bh9 h VAL 54 Cb 2.03 0.38 0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1bh9 h VAL 54 CO 0.24 0.26 -1.17 0.44 0.02 0.00 0.00 177.57 177.36 1bh9 h ASP 55 N 0.94 0.84 -0.71 0.57 3.32 -1.50 -1.84 116.42 118.04 1bh9 h ASP 55 Ca 0.23 -0.74 0.04 0.00 0.02 0.00 0.00 57.03 56.59 1bh9 h ASP 55 Cb 0.11 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 1bh9 h ASP 55 CO -0.03 1.54 0.43 0.40 -1.72 0.00 0.00 179.24 179.86 1bh9 h ILE 56 N 0.30 1.04 -0.66 0.35 2.04 -1.41 -0.95 117.51 118.22 1bh9 h ILE 56 Ca -0.16 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.43 1bh9 h ILE 56 Cb 1.83 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1bh9 h ILE 56 CO 0.22 0.15 0.44 0.25 0.00 0.00 0.00 178.15 179.21 1bh9 h LEU 57 N 0.81 0.75 0.05 1.44 6.46 -1.30 -1.65 115.31 121.88 1bh9 h LEU 57 Ca 0.30 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 58.06 1bh9 h LEU 57 Cb 0.10 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.81 1bh9 h LEU 57 CO -0.14 0.54 -0.16 -0.08 -0.62 0.00 0.00 178.44 177.98 1bh9 h GLU 58 N 0.89 -0.28 -0.98 1.25 4.81 -0.37 0.14 114.58 120.04 1bh9 h GLU 58 Ca 0.24 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.62 1bh9 h GLU 58 Cb -0.09 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.27 1bh9 h GLU 58 CO -0.06 -0.19 0.61 -0.44 -0.73 0.00 0.00 179.01 178.21 1bh9 h ASP 59 N -0.29 0.89 -0.48 1.04 5.19 -0.85 0.64 116.42 122.56 1bh9 h ASP 59 Ca 0.04 0.05 -0.12 0.00 -0.62 0.00 0.00 57.03 56.38 1bh9 h ASP 59 Cb 0.33 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 1bh9 h ASP 59 CO -0.12 0.46 -0.14 -0.07 -3.12 0.00 0.00 179.24 176.26 1bh9 h LEU 60 N 0.96 0.98 -0.21 1.55 3.38 -0.43 0.13 115.31 121.66 1bh9 h LEU 60 Ca 0.49 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1bh9 h LEU 60 Cb 0.50 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1bh9 h LEU 60 CO -0.27 1.11 0.06 0.58 0.09 0.00 0.00 178.44 180.00 1bh9 h VAL 61 N 0.86 1.20 -0.25 1.22 2.07 0.52 0.80 116.25 122.67 1bh9 h VAL 61 Ca 0.13 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 67.04 1bh9 h VAL 61 Cb 0.69 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1bh9 h VAL 61 CO 0.05 0.20 0.12 0.40 0.02 0.00 0.00 177.57 178.36 1bh9 h ILE 62 N 0.17 0.98 -0.93 4.57 2.04 -0.74 0.92 117.51 124.53 1bh9 h ILE 62 Ca 0.07 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.92 1bh9 h ILE 62 Cb 0.25 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 1bh9 h ILE 62 CO -0.00 0.05 0.58 -0.08 0.00 0.00 0.00 178.15 178.69 1bh9 h GLU 63 N 0.25 0.99 0.04 2.37 4.81 -0.56 -2.20 114.58 120.29 1bh9 h GLU 63 Ca 0.10 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1bh9 h GLU 63 Cb 0.04 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.19 1bh9 h GLU 63 CO -0.08 0.66 -0.02 0.35 -0.73 0.00 0.00 179.01 179.19 1bh9 h PHE 64 N 1.02 -0.05 -0.52 0.92 3.57 0.40 -2.07 116.94 120.21 1bh9 h PHE 64 Ca 0.42 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 1bh9 h PHE 64 Cb 0.24 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1bh9 h PHE 64 CO -0.02 0.09 0.31 0.82 -2.23 0.00 0.00 178.31 177.27 1bh9 h ILE 65 N -0.18 1.16 -0.90 1.41 2.04 -0.63 -1.80 117.51 118.60 1bh9 h ILE 65 Ca -0.01 -0.38 0.10 0.00 1.00 0.00 0.00 64.86 65.58 1bh9 h ILE 65 Cb 0.16 0.48 -0.08 0.00 -0.74 0.00 0.00 36.82 36.64 1bh9 h ILE 65 CO 0.01 0.17 0.54 0.74 0.00 0.00 0.00 178.15 179.61 1bh9 h THR 66 N 0.69 0.93 0.00 -0.27 2.02 -1.32 0.75 112.91 115.71 1bh9 h THR 66 Ca 0.18 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1bh9 h THR 66 Cb 0.00 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.37 1bh9 h THR 66 CO -0.03 0.16 -0.00 -0.08 0.37 0.00 0.00 175.52 175.94 1bh9 h GLU 67 N 0.90 -0.00 0.23 6.66 4.57 -0.95 -1.76 114.58 124.22 1bh9 h GLU 67 Ca 0.43 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.62 1bh9 h GLU 67 Cb 0.39 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1bh9 h GLU 67 CO -0.25 0.31 -0.25 0.52 -1.18 0.00 0.00 179.01 178.16 1bh9 h MET 68 N -0.31 -0.50 -0.35 1.92 2.86 -0.83 0.15 114.93 117.86 1bh9 h MET 68 Ca -0.00 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1bh9 h MET 68 Cb 0.31 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.02 1bh9 h MET 68 CO 0.00 -0.34 -0.42 1.15 1.06 0.00 0.00 176.91 178.37 1bh9 h THR 69 N -0.52 0.00 -0.88 2.22 2.02 -0.86 0.91 112.91 115.78 1bh9 h THR 69 Ca 0.00 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.34 1bh9 h THR 69 Cb 0.50 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.84 1bh9 h THR 69 CO -0.07 0.00 0.57 0.45 0.37 0.00 0.00 175.52 176.84 1bh9 h HIS 70 N -0.26 0.75 0.01 3.16 -0.00 -1.09 0.10 115.15 117.82 1bh9 h HIS 70 Ca 0.06 0.02 -0.19 0.00 -0.00 0.00 0.00 60.37 60.26 1bh9 h HIS 70 Cb 0.42 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.58 1bh9 h HIS 70 CO -0.73 0.26 -0.90 -0.22 -0.00 0.00 0.00 177.93 176.34 1bh9 h LYS 71 N 0.62 0.08 -0.09 2.45 1.63 0.11 -3.16 116.57 118.21 1bh9 h LYS 71 Ca 0.45 -0.10 -0.16 0.00 -0.85 0.00 0.00 60.65 59.99 1bh9 h LYS 71 Cb 0.81 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.47 1bh9 h LYS 71 CO -0.20 0.93 -0.64 0.00 -3.45 0.00 0.00 179.45 176.09 1bh9 h ALA 72 N 1.04 0.73 -0.49 5.00 0.00 0.23 -2.78 119.26 122.99 1bh9 h ALA 72 Ca -0.03 -0.56 0.07 0.00 0.00 0.00 0.00 54.91 54.39 1bh9 h ALA 72 Cb 1.57 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1bh9 h ALA 72 CO 0.13 0.73 0.33 0.52 0.00 0.00 0.00 179.25 180.96 1bh9 h MET 73 N 0.26 0.37 0.01 0.00 2.86 -0.84 -3.03 114.93 114.55 1bh9 h MET 73 Ca -0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1bh9 h MET 73 Cb 1.17 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1bh9 h MET 73 CO 0.11 0.24 -0.00 0.77 1.06 0.00 0.00 176.91 179.09 1bh9 h SER 74 N 0.38 -0.01 0.00 1.22 0.02 -1.52 -3.52 113.55 110.12 1bh9 h SER 74 Ca 0.22 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1bh9 h SER 74 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1bh9 h SER 74 CO -0.05 0.81 0.00 0.00 -1.14 0.00 0.00 176.83 176.45