#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 -4.62 -3.66 7.83 7.64 -1.26 -2.89 113.62 116.67 1bhi n SER 2 Ca 0.00 -0.72 -0.21 0.00 1.01 0.00 0.00 58.87 58.96 1bhi n SER 2 Cb 0.00 -4.94 0.04 0.00 -1.01 0.00 0.00 64.21 58.30 1bhi n SER 2 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1bhi n ASP 3 N -3.14 -1.51 -4.76 6.43 2.03 -1.26 -4.93 116.55 109.40 1bhi n ASP 3 Ca -0.16 -0.78 -0.40 0.00 0.52 0.00 0.00 54.79 53.97 1bhi n ASP 3 Cb 0.64 -4.26 -0.03 0.00 -0.72 0.00 0.00 41.12 36.75 1bhi n ASP 3 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1bhi s ASP 4 N -4.31 7.01 -0.19 1.67 -4.77 -1.14 -4.98 116.67 109.96 1bhi s ASP 4 Ca 0.03 2.45 -0.05 0.00 -3.30 0.00 0.00 52.55 51.69 1bhi s ASP 4 Cb -0.02 -2.64 -0.21 0.00 -1.09 0.00 0.00 42.92 38.97 1bhi s ASP 4 CO 0.80 -0.34 0.08 0.29 0.70 0.00 0.00 175.17 176.70 1bhi n LYS 5 N 0.95 0.69 -2.57 2.11 4.76 -1.26 -4.74 118.16 118.10 1bhi n LYS 5 Ca -0.00 0.24 -0.41 0.00 -2.87 0.00 0.00 58.31 55.27 1bhi n LYS 5 Cb 0.44 -1.62 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 1bhi n LYS 5 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1bhi s PRO 6 N -2.53 3.43 -0.32 1.97 0.04 -1.26 -4.62 135.00 131.71 1bhi s PRO 6 Ca -0.29 -0.79 -0.29 0.00 0.04 0.00 0.00 61.00 59.67 1bhi s PRO 6 Cb 0.08 -4.88 0.01 0.00 0.04 0.00 0.00 34.50 29.74 1bhi s PRO 6 CO 0.67 -2.17 1.24 -0.06 0.04 0.00 0.00 177.00 176.72 1bhi s PHE 7 N 5.21 2.79 -0.19 0.56 0.08 -1.04 -4.92 117.98 120.46 1bhi s PHE 7 Ca 0.41 0.92 -0.19 0.00 0.12 0.00 0.00 56.93 58.19 1bhi s PHE 7 Cb -0.03 -3.92 -0.03 0.00 -0.57 0.00 0.00 43.02 38.47 1bhi s PHE 7 CO -0.00 -1.47 0.55 -0.51 -0.10 0.00 0.00 175.22 173.69 1bhi s LEU 8 N 4.25 4.15 -0.19 -0.37 1.43 -1.26 -2.58 118.68 124.12 1bhi s LEU 8 Ca 0.53 0.74 -0.29 0.00 -1.03 0.00 0.00 54.13 54.08 1bhi s LEU 8 Cb -0.15 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 1bhi s LEU 8 CO 0.22 -0.20 1.54 0.00 0.23 0.00 0.00 176.35 178.14 1bhi s THR 10 N 4.64 4.02 0.00 0.00 2.01 -1.26 -4.25 115.64 120.80 1bhi s THR 10 Ca 0.68 -1.50 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 1bhi s THR 10 Cb -0.25 -5.11 -0.00 0.00 0.01 0.00 0.00 72.50 67.15 1bhi s THR 10 CO 0.26 -1.93 0.09 0.00 -0.69 0.00 0.00 174.62 172.35 1bhi s ALA 11 N 4.88 -0.20 -0.28 7.40 0.00 -1.26 -5.05 121.76 127.25 1bhi s ALA 11 Ca 0.53 -0.23 -0.28 0.00 0.00 0.00 0.00 51.96 51.97 1bhi s ALA 11 Cb 0.02 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1bhi s ALA 11 CO 0.03 -0.18 2.07 -1.25 0.00 0.00 0.00 175.76 176.42 1bhi s PRO 12 N -1.30 3.15 0.00 0.00 0.04 -1.26 -3.34 135.00 132.28 1bhi s PRO 12 Ca -0.14 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1bhi s PRO 12 Cb -0.08 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1bhi s PRO 12 CO 0.01 -2.08 0.00 0.41 0.04 0.00 0.00 177.00 175.38 1bhi n GLY 13 N 5.65 0.94 2.21 0.56 0.00 -1.26 -4.77 105.19 108.51 1bhi n GLY 13 Ca 0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 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 2.54 4.81 3.81 0.00 0.00 -1.25 -4.44 105.19 110.65 1bhi n GLY 15 Ca 0.57 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 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 0.42 2.38 0.06 1.61 -0.21 -1.26 -4.60 119.66 118.06 1bhi s GLN 16 Ca 0.53 0.74 0.06 0.00 0.02 0.00 0.00 55.36 56.71 1bhi s GLN 16 Cb 0.16 -1.94 -0.03 0.00 1.00 0.00 0.00 33.01 32.20 1bhi s GLN 16 CO -0.06 -1.44 -0.17 0.50 -2.12 0.00 0.00 175.29 172.00 1bhi s ARG 17 N -5.12 1.06 0.05 2.91 3.00 -1.26 -0.66 118.95 118.93 1bhi s ARG 17 Ca 0.60 -0.92 -0.01 0.00 -1.00 0.00 0.00 55.73 54.40 1bhi s ARG 17 Cb -0.14 -1.15 -0.04 0.00 0.00 0.00 0.00 34.95 33.62 1bhi s ARG 17 CO 0.54 0.28 -0.02 -0.06 0.00 0.00 0.00 175.30 176.04 1bhi s PHE 18 N -0.97 0.48 -0.77 5.12 0.40 -1.06 -5.00 117.98 116.17 1bhi s PHE 18 Ca 0.03 -1.00 0.25 0.00 -0.60 0.00 0.00 56.93 55.62 1bhi s PHE 18 Cb -0.09 -0.36 0.58 0.00 0.51 0.00 0.00 43.02 43.66 1bhi s PHE 18 CO 0.02 -0.37 1.50 2.41 0.70 0.00 0.00 175.22 179.49 1bhi n THR 19 N 0.26 0.29 -4.88 0.64 -1.04 -1.26 -2.48 114.28 105.80 1bhi n THR 19 Ca -0.15 -0.19 -0.28 0.00 -2.04 0.00 0.00 64.05 61.40 1bhi n THR 19 Cb 0.60 -0.19 -0.17 0.00 -1.82 0.00 0.00 70.33 68.76 1bhi n THR 19 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1bhi s ASN 20 N -3.89 2.34 0.57 8.00 -0.87 -1.26 -4.91 114.94 114.91 1bhi s ASN 20 Ca 0.09 -0.40 0.34 0.00 -1.57 0.00 0.00 52.86 51.32 1bhi s ASN 20 Cb 0.15 -0.92 1.69 0.00 -0.02 0.00 0.00 41.25 42.15 1bhi s ASN 20 CO 0.67 0.12 2.13 1.05 -2.57 0.00 0.00 177.10 178.50 1bhi h GLU 21 N 6.62 0.00 -0.18 -0.60 4.11 -1.91 -2.61 114.58 120.01 1bhi h GLU 21 Ca -0.28 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.18 1bhi h GLU 21 Cb 1.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1bhi h GLU 21 CO 0.47 0.06 -0.03 -0.44 0.07 0.00 0.00 179.01 179.14 1bhi h ASP 22 N 0.00 -0.13 -0.17 3.06 5.19 -1.99 0.20 116.42 122.59 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 0.30 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 1bhi h ASP 22 CO 0.01 -0.04 -0.26 0.45 -3.12 0.00 0.00 179.24 176.28 1bhi h HIS 23 N 0.02 0.72 -0.62 4.55 3.86 -1.90 -2.57 115.15 119.21 1bhi h HIS 23 Ca 0.08 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 1bhi h HIS 23 Cb 0.12 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 1bhi h HIS 23 CO -0.19 0.83 0.21 1.25 0.86 0.00 0.00 177.93 180.89 1bhi h LEU 24 N 0.55 0.85 0.49 2.43 5.85 -1.24 -1.79 115.31 122.45 1bhi h LEU 24 Ca 0.07 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1bhi h LEU 24 Cb 0.73 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1bhi h LEU 24 CO 0.06 0.79 -0.23 0.00 -0.34 0.00 0.00 178.44 178.71 1bhi h ALA 25 N 1.33 -0.65 -0.84 1.25 0.00 -0.22 0.14 119.26 120.26 1bhi h ALA 25 Ca 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1bhi h ALA 25 Cb 0.23 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1bhi h ALA 25 CO -0.01 -0.80 0.41 -0.39 0.00 0.00 0.00 179.25 178.46 1bhi h VAL 26 N -0.79 1.26 0.07 0.00 -1.51 -1.47 0.29 116.25 114.09 1bhi h VAL 26 Ca -0.07 -0.72 -0.00 0.00 -1.23 0.00 0.00 66.70 64.68 1bhi h VAL 26 Cb 0.56 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 29.90 1bhi h VAL 26 CO 0.11 0.31 -0.03 -0.74 -1.23 0.00 0.00 177.57 175.98 1bhi h HIS 27 N 1.20 -0.09 -0.60 5.19 6.17 -1.26 -2.95 115.15 122.81 1bhi h HIS 27 Ca 0.29 -0.00 -0.10 0.00 0.71 0.00 0.00 60.37 61.27 1bhi h HIS 27 Cb 0.11 0.03 -0.02 0.00 2.52 0.00 0.00 27.41 30.05 1bhi h HIS 27 CO 0.01 0.06 -0.02 -0.22 0.71 0.00 0.00 177.93 178.48 1bhi h LYS 28 N -0.22 1.07 -0.61 5.26 3.64 -0.50 -3.10 116.57 122.12 1bhi h LYS 28 Ca -0.01 -0.35 0.13 0.00 -1.27 0.00 0.00 60.65 59.15 1bhi h LYS 28 Cb 0.19 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 31.81 1bhi h LYS 28 CO 0.02 1.06 0.01 1.25 -2.27 0.00 0.00 179.45 179.51 1bhi h HIS 29 N 0.97 -0.03 -0.68 1.91 2.76 -0.31 0.16 115.15 119.93 1bhi h HIS 29 Ca 0.17 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 1bhi h HIS 29 Cb 0.58 0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.61 1bhi h HIS 29 CO 0.04 -0.15 0.34 0.87 -1.30 0.00 0.00 177.93 177.73 1bhi h LYS 30 N 0.12 0.96 -0.33 5.26 6.56 -1.44 -0.27 116.57 127.42 1bhi h LYS 30 Ca 0.32 -0.12 -0.07 0.00 -1.06 0.00 0.00 60.65 59.72 1bhi h LYS 30 Cb 0.51 -0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 1bhi h LYS 30 CO -0.51 0.73 -0.07 0.45 -2.06 0.00 0.00 179.45 177.99 1bhi h HIS 31 N 0.96 0.71 0.00 -1.35 3.86 -0.88 -2.45 115.15 115.99 1bhi h HIS 31 Ca 0.24 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1bhi h HIS 31 Cb 0.07 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 1bhi h HIS 31 CO 0.01 0.79 -0.09 0.93 0.86 0.00 0.00 177.93 180.43 1bhi h GLU 32 N 0.42 0.00 -2.08 2.45 4.39 -0.35 -2.99 114.58 116.42 1bhi h GLU 32 Ca 0.09 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 1bhi h GLU 32 Cb 0.56 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 1bhi h GLU 32 CO 0.03 0.09 -0.14 -0.12 -1.16 0.00 0.00 179.01 177.71 1bhi n MET 33 N -4.37 1.32 -0.07 2.33 1.56 -0.15 -3.74 117.12 113.99 1bhi n MET 33 Ca -0.03 -0.47 -0.17 0.00 -0.27 0.00 0.00 57.70 56.77 1bhi n MET 33 Cb 0.17 -1.54 -0.13 0.00 2.15 0.00 0.00 33.22 33.87 1bhi n MET 33 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1bhi n THR 34 N 2.12 1.59 -2.38 1.12 -2.24 -1.13 -4.65 114.28 108.71 1bhi n THR 34 Ca 0.20 -0.67 -0.01 0.00 -2.27 0.00 0.00 64.05 61.30 1bhi n THR 34 Cb 0.62 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.51 1bhi n THR 34 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1bhi n LEU 35 N -3.24 0.12 -4.23 3.22 0.00 -1.25 -5.12 117.00 106.51 1bhi n LEU 35 Ca -0.36 -2.24 -0.15 0.00 0.00 0.00 0.00 56.01 53.26 1bhi n LEU 35 Cb 1.04 0.07 -0.09 0.00 0.00 0.00 0.00 43.42 44.44 1bhi n LEU 35 CO 0.36 1.04 -0.16 -0.54 0.00 0.00 0.00 177.39 178.08 1bhi s LYS 36 N -0.43 1.46 0.27 1.96 1.02 -1.25 -5.05 119.74 117.72 1bhi s LYS 36 Ca 0.19 -1.79 0.02 0.00 0.02 0.00 0.00 55.97 54.41 1bhi s LYS 36 Cb 0.25 0.30 0.37 0.00 -0.52 0.00 0.00 37.83 38.23 1bhi s LYS 36 CO -0.09 -0.52 1.68 0.35 -0.92 0.00 0.00 175.35 175.86 1bhi h PHE 37 N 2.40 0.51 0.00 3.18 3.57 -1.95 -3.42 116.94 121.23 1bhi h PHE 37 Ca -0.31 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1bhi h PHE 37 Cb 1.24 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1bhi h PHE 37 CO 0.95 0.72 0.00 0.41 -2.23 0.00 0.00 178.31 178.16