#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhi n SER 2 N 0.00 -1.52 -3.60 7.83 3.41 -1.26 -5.04 113.62 113.44 1bhi n SER 2 Ca 0.00 -1.76 -0.41 0.00 -0.26 0.00 0.00 58.87 56.44 1bhi n SER 2 Cb 0.00 2.46 -0.01 0.00 -0.26 0.00 0.00 64.21 66.40 1bhi n SER 2 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1bhi n ASP 3 N -1.20 5.42 -3.60 4.04 2.03 -1.26 -4.83 116.55 117.15 1bhi n ASP 3 Ca -0.01 -2.76 -0.40 0.00 0.52 0.00 0.00 54.79 52.13 1bhi n ASP 3 Cb 0.53 -1.63 -0.02 0.00 -0.72 0.00 0.00 41.12 39.28 1bhi n ASP 3 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1bhi n ASP 4 N 5.27 4.65 -4.54 1.67 9.92 -1.26 -4.88 116.55 127.39 1bhi n ASP 4 Ca 0.60 -2.73 -0.26 0.00 -0.53 0.00 0.00 54.79 51.88 1bhi n ASP 4 Cb 0.34 -1.51 -0.11 0.00 -0.64 0.00 0.00 41.12 39.20 1bhi n ASP 4 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1bhi s LYS 5 N 3.32 1.80 0.33 -1.24 -2.85 -1.26 -5.12 119.74 114.72 1bhi s LYS 5 Ca 0.53 -1.94 -0.27 0.00 -1.00 0.00 0.00 55.97 53.29 1bhi s LYS 5 Cb 0.15 -1.62 -0.09 0.00 -2.06 0.00 0.00 37.83 34.21 1bhi s LYS 5 CO -0.05 0.10 1.09 -1.25 0.10 0.00 0.00 175.35 175.35 1bhi s PRO 6 N -3.64 4.41 -0.30 1.78 0.04 -1.26 -4.54 135.00 131.50 1bhi s PRO 6 Ca 0.32 1.72 0.02 0.00 0.04 0.00 0.00 61.00 63.10 1bhi s PRO 6 Cb 0.03 -2.92 0.09 0.00 0.04 0.00 0.00 34.50 31.74 1bhi s PRO 6 CO 0.16 0.03 0.01 -0.06 0.04 0.00 0.00 177.00 177.19 1bhi s PHE 7 N -1.35 2.95 -0.30 0.56 0.40 0.46 -4.98 117.98 115.72 1bhi s PHE 7 Ca 0.50 -2.36 -0.17 0.00 -0.60 0.00 0.00 56.93 54.30 1bhi s PHE 7 Cb -0.29 -2.23 -0.02 0.00 0.51 0.00 0.00 43.02 41.00 1bhi s PHE 7 CO 0.37 -0.88 0.49 -1.17 0.70 0.00 0.00 175.22 174.72 1bhi s LEU 8 N 1.19 4.17 -0.96 -0.37 2.96 -1.26 -1.53 118.68 122.88 1bhi s LEU 8 Ca 0.04 0.25 -0.24 0.00 -0.22 0.00 0.00 54.13 53.97 1bhi s LEU 8 Cb -0.19 -2.59 0.04 0.00 0.50 0.00 0.00 46.19 43.95 1bhi s LEU 8 CO -0.11 -0.35 1.48 0.00 -1.32 0.00 0.00 176.35 176.05 1bhi n THR 10 N 6.91 0.17 -3.54 0.00 -1.04 -1.26 -3.88 114.28 111.64 1bhi n THR 10 Ca 0.29 -0.21 -0.16 0.00 -2.04 0.00 0.00 64.05 61.93 1bhi n THR 10 Cb 0.50 -1.47 -0.06 0.00 -1.82 0.00 0.00 70.33 67.49 1bhi n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bhi s ALA 11 N 6.88 -1.81 0.00 2.41 0.00 -1.26 -4.91 121.76 123.07 1bhi s ALA 11 Ca 1.10 1.45 0.00 0.00 0.00 0.00 0.00 51.96 54.51 1bhi s ALA 11 Cb -0.96 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1bhi s ALA 11 CO 0.52 -0.35 0.24 -0.35 0.00 0.00 0.00 175.76 175.83 1bhi n PRO 12 N 1.03 0.00 -0.39 0.00 -0.04 -1.26 -2.34 135.00 131.99 1bhi n PRO 12 Ca -0.16 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1bhi n PRO 12 Cb 0.57 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 33.31 1bhi n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bhi n GLY 13 N 0.94 2.39 1.25 0.55 0.00 -1.26 -4.17 105.19 104.89 1bhi n GLY 13 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bhi n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhi n GLY 15 N -0.24 -0.21 3.82 0.00 0.00 -0.99 -4.93 105.19 102.64 1bhi n GLY 15 Ca 0.00 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1bhi n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bhi s GLN 16 N -6.88 4.23 0.06 1.61 -0.21 -1.25 -4.79 119.66 112.42 1bhi s GLN 16 Ca 0.10 0.99 0.07 0.00 0.02 0.00 0.00 55.36 56.54 1bhi s GLN 16 Cb -0.05 -2.45 -0.03 0.00 1.00 0.00 0.00 33.01 31.48 1bhi s GLN 16 CO 0.93 0.13 -0.20 0.50 -2.12 0.00 0.00 175.29 174.53 1bhi s ARG 17 N -2.77 1.25 0.05 2.91 3.00 -1.26 -0.81 118.95 121.32 1bhi s ARG 17 Ca 0.55 -1.00 -0.00 0.00 -1.00 0.00 0.00 55.73 54.28 1bhi s ARG 17 Cb -0.12 -1.41 -0.04 0.00 0.00 0.00 0.00 34.95 33.38 1bhi s ARG 17 CO 0.17 0.35 -0.04 -0.06 0.00 0.00 0.00 175.30 175.72 1bhi s PHE 18 N -0.94 0.53 -0.66 5.12 0.40 -0.58 -4.96 117.98 116.89 1bhi s PHE 18 Ca 0.06 -0.91 0.25 0.00 -0.60 0.00 0.00 56.93 55.74 1bhi s PHE 18 Cb -0.09 -0.37 0.58 0.00 0.51 0.00 0.00 43.02 43.65 1bhi s PHE 18 CO 0.03 -0.29 1.58 1.15 0.70 0.00 0.00 175.22 178.38 1bhi h THR 19 N 3.49 0.00 -4.49 0.64 2.02 -1.88 0.13 112.91 112.83 1bhi h THR 19 Ca -0.34 -0.53 -0.65 0.00 0.77 0.00 0.00 66.41 65.66 1bhi h THR 19 Cb 1.16 1.36 -0.30 0.00 -1.74 0.00 0.00 68.15 68.64 1bhi h THR 19 CO 0.59 0.00 -0.87 0.20 0.37 0.00 0.00 175.52 175.81 1bhi s ASN 20 N -4.56 2.72 0.50 4.18 -0.87 -1.26 -4.20 114.94 111.45 1bhi s ASN 20 Ca 0.08 -0.42 0.27 0.00 -1.57 0.00 0.00 52.86 51.23 1bhi s ASN 20 Cb 0.12 -0.32 1.28 0.00 -0.02 0.00 0.00 41.25 42.30 1bhi s ASN 20 CO 0.65 0.28 1.98 1.05 -2.57 0.00 0.00 177.10 178.50 1bhi h GLU 21 N 5.59 0.00 -0.37 -0.60 4.11 -1.91 -2.76 114.58 118.64 1bhi h GLU 21 Ca -0.41 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.07 1bhi h GLU 21 Cb 1.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1bhi h GLU 21 CO 0.47 0.15 0.10 -0.44 0.07 0.00 0.00 179.01 179.37 1bhi h ASP 22 N 0.00 0.08 -0.06 3.06 5.19 -1.99 0.34 116.42 123.04 1bhi h ASP 22 Ca -0.00 0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 56.35 1bhi h ASP 22 Cb 0.50 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1bhi h ASP 22 CO 0.02 0.08 -0.32 0.45 -3.12 0.00 0.00 179.24 176.35 1bhi h HIS 23 N 0.24 0.61 -0.16 4.55 3.86 -1.92 -2.44 115.15 119.90 1bhi h HIS 23 Ca 0.17 -0.15 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 1bhi h HIS 23 Cb 0.17 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1bhi h HIS 23 CO -0.17 0.79 -0.26 1.25 0.86 0.00 0.00 177.93 180.40 1bhi h LEU 24 N 0.46 0.28 0.63 2.43 5.85 -1.15 -1.75 115.31 122.06 1bhi h LEU 24 Ca 0.06 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1bhi h LEU 24 Cb 0.78 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.74 1bhi h LEU 24 CO 0.06 0.55 -0.30 0.00 -0.34 0.00 0.00 178.44 178.41 1bhi h ALA 25 N 1.48 -0.85 -0.85 1.25 0.00 0.11 0.38 119.26 120.79 1bhi h ALA 25 Ca 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1bhi h ALA 25 Cb 0.60 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1bhi h ALA 25 CO 0.04 -0.86 0.55 -0.39 0.00 0.00 0.00 179.25 178.59 1bhi h VAL 26 N -1.07 1.22 -0.43 0.00 -1.51 -1.52 -0.12 116.25 112.82 1bhi h VAL 26 Ca -0.09 -0.42 -0.11 0.00 -1.23 0.00 0.00 66.70 64.86 1bhi h VAL 26 Cb 0.69 -0.02 -0.02 0.00 -2.13 0.00 0.00 31.29 29.82 1bhi h VAL 26 CO 0.14 0.22 -0.17 -0.74 -1.23 0.00 0.00 177.57 175.79 1bhi h HIS 27 N 1.15 0.92 0.08 5.19 6.17 -1.24 -2.43 115.15 124.99 1bhi h HIS 27 Ca 0.31 -0.19 -0.00 0.00 0.71 0.00 0.00 60.37 61.19 1bhi h HIS 27 Cb -0.12 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 29.59 1bhi h HIS 27 CO 0.00 0.93 -0.04 0.87 0.71 0.00 0.00 177.93 180.40 1bhi h LYS 28 N 0.73 -0.10 -0.93 5.26 1.57 0.64 -2.99 116.57 120.75 1bhi h LYS 28 Ca 0.11 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.06 1bhi h LYS 28 Cb 0.68 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.93 1bhi h LYS 28 CO 0.05 0.19 0.60 1.25 -0.57 0.00 0.00 179.45 180.97 1bhi h HIS 29 N -0.39 0.86 -0.97 -1.35 2.76 -0.97 0.30 115.15 115.39 1bhi h HIS 29 Ca -0.01 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.27 1bhi h HIS 29 Cb 0.33 -0.27 -0.07 0.00 1.55 0.00 0.00 27.41 28.96 1bhi h HIS 29 CO 0.02 0.27 0.62 -0.22 -1.30 0.00 0.00 177.93 177.32 1bhi h LYS 30 N 0.69 1.02 0.03 5.26 3.64 -1.28 -1.25 116.57 124.67 1bhi h LYS 30 Ca 0.49 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1bhi h LYS 30 Cb 0.83 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1bhi h LYS 30 CO -0.25 0.67 -0.01 0.45 -2.27 0.00 0.00 179.45 178.05 1bhi h HIS 31 N 1.05 -0.03 -0.29 1.91 3.86 -0.70 -3.34 115.15 117.61 1bhi h HIS 31 Ca 0.44 -0.00 -0.42 0.00 -1.16 0.00 0.00 60.37 59.23 1bhi h HIS 31 Cb 0.30 0.01 -0.07 0.00 1.06 0.00 0.00 27.41 28.72 1bhi h HIS 31 CO -0.00 0.53 1.14 0.39 0.86 0.00 0.00 177.93 180.85 1bhi n GLU 32 N -4.72 2.77 -2.48 2.45 1.02 0.76 -4.84 120.64 115.59 1bhi n GLU 32 Ca -0.06 -1.78 -0.40 0.00 -0.02 0.00 0.00 57.16 54.90 1bhi n GLU 32 Cb 0.28 -2.30 -0.01 0.00 -0.02 0.00 0.00 31.44 29.39 1bhi n GLU 32 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1bhi s MET 33 N 0.65 3.67 -1.31 3.49 1.75 -0.49 -4.73 119.30 122.34 1bhi s MET 33 Ca 0.65 -1.74 -0.13 0.00 -1.25 0.00 0.00 55.69 53.22 1bhi s MET 33 Cb 0.28 -5.46 -0.05 0.00 2.84 0.00 0.00 34.83 32.44 1bhi s MET 33 CO -0.06 -2.57 2.37 -2.37 -0.65 0.00 0.00 175.02 171.74 1bhi n THR 34 N 6.71 3.27 0.14 10.11 5.66 -1.26 -3.42 114.28 135.50 1bhi n THR 34 Ca 0.47 -2.41 0.00 0.00 -3.05 0.00 0.00 64.05 59.05 1bhi n THR 34 Cb 0.47 -2.49 0.00 0.00 -1.55 0.00 0.00 70.33 66.75 1bhi n THR 34 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1bhi n LEU 35 N 5.34 -2.32 -4.51 1.09 0.00 -1.26 -5.04 117.00 110.30 1bhi n LEU 35 Ca 0.58 0.54 -0.42 0.00 0.00 0.00 0.00 56.01 56.71 1bhi n LEU 35 Cb 0.31 2.33 -0.03 0.00 0.00 0.00 0.00 43.42 46.03 1bhi n LEU 35 CO 0.88 -0.09 1.08 -0.75 0.00 0.00 0.00 177.39 178.52 1bhi s LYS 36 N -2.00 3.28 -0.76 1.96 2.20 -1.22 -4.87 119.74 118.33 1bhi s LYS 36 Ca 0.00 -0.74 -0.01 0.00 -0.36 0.00 0.00 55.97 54.85 1bhi s LYS 36 Cb 0.00 -4.49 0.39 0.00 -1.51 0.00 0.00 37.83 32.22 1bhi s LYS 36 CO 0.00 -2.02 1.96 1.19 -0.36 0.00 0.00 175.35 176.12 1bhi n PHE 37 N 8.48 3.07 0.00 4.03 3.72 -1.26 -5.00 117.46 130.50 1bhi n PHE 37 Ca 0.09 -2.57 0.00 0.00 -0.05 0.00 0.00 57.45 54.92 1bhi n PHE 37 Cb 0.48 -1.19 0.00 0.00 -0.94 0.00 0.00 39.48 37.83 1bhi n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12