#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhi s SER 2 N 0.00 0.96 0.02 7.83 0.01 -1.26 -5.08 113.70 116.18 1bhi s SER 2 Ca 0.00 -0.91 -0.26 0.00 1.31 0.00 0.00 55.95 56.09 1bhi s SER 2 Cb 0.00 0.10 -0.16 0.00 0.21 0.00 0.00 66.02 66.17 1bhi s SER 2 CO 0.00 -0.44 1.24 -0.78 0.41 0.00 0.00 173.24 173.67 1bhi h ASP 3 N 3.32 -0.48 -3.73 2.44 3.58 -2.11 -3.43 116.42 116.02 1bhi h ASP 3 Ca -0.35 -0.11 -0.52 0.00 0.42 0.00 0.00 57.03 56.47 1bhi h ASP 3 Cb 1.17 0.12 0.06 0.00 1.72 0.00 0.00 39.33 42.40 1bhi h ASP 3 CO 0.60 -0.13 0.65 -0.62 -2.88 0.00 0.00 179.24 176.86 1bhi s ASP 4 N -4.89 6.80 -0.42 2.28 -1.08 -1.26 -5.00 116.67 113.10 1bhi s ASP 4 Ca -0.14 2.62 -0.08 0.00 -0.52 0.00 0.00 52.55 54.43 1bhi s ASP 4 Cb 0.02 -2.64 0.09 0.00 -1.46 0.00 0.00 42.92 38.93 1bhi s ASP 4 CO 0.52 -0.54 0.24 -0.75 0.52 0.00 0.00 175.17 175.17 1bhi s LYS 5 N -1.31 2.48 -0.20 4.34 2.20 -1.26 -5.05 119.74 120.93 1bhi s LYS 5 Ca 0.51 -1.55 -0.28 0.00 -0.36 0.00 0.00 55.97 54.30 1bhi s LYS 5 Cb -0.39 -3.73 -0.05 0.00 -1.51 0.00 0.00 37.83 32.15 1bhi s LYS 5 CO 0.49 -0.98 2.15 -1.25 -0.36 0.00 0.00 175.35 175.39 1bhi s PRO 6 N 1.36 3.26 -1.48 4.03 0.04 -1.26 -4.85 135.00 136.10 1bhi s PRO 6 Ca 0.04 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 62.98 1bhi s PRO 6 Cb -0.23 -4.33 0.01 0.00 0.04 0.00 0.00 34.50 29.99 1bhi s PRO 6 CO 0.00 -1.96 2.36 1.19 0.04 0.00 0.00 177.00 178.64 1bhi n PHE 7 N 11.10 3.29 -2.76 0.56 3.01 -1.21 -4.92 117.46 126.54 1bhi n PHE 7 Ca 0.28 -2.98 -0.43 0.00 1.01 0.00 0.00 57.45 55.33 1bhi n PHE 7 Cb 0.45 -2.53 -0.03 0.00 -0.01 0.00 0.00 39.48 37.35 1bhi n PHE 7 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1bhi s LEU 8 N 1.79 3.90 0.24 4.37 1.43 -1.26 -2.96 118.68 126.20 1bhi s LEU 8 Ca 0.51 0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 53.58 1bhi s LEU 8 Cb 0.15 -3.30 -0.09 0.00 0.03 0.00 0.00 46.19 42.97 1bhi s LEU 8 CO -0.08 -1.09 1.29 0.00 0.23 0.00 0.00 176.35 176.70 1bhi s THR 10 N -0.31 4.61 0.00 0.00 2.01 -1.26 -4.18 115.64 116.50 1bhi s THR 10 Ca 0.54 -1.95 0.02 0.00 0.31 0.00 0.00 61.69 60.60 1bhi s THR 10 Cb -0.37 -4.96 -0.01 0.00 0.01 0.00 0.00 72.50 67.17 1bhi s THR 10 CO 0.42 -1.72 -0.06 0.00 -0.69 0.00 0.00 174.62 172.56 1bhi s ALA 11 N 2.90 0.52 -0.27 7.40 0.00 -1.26 -4.95 121.76 126.09 1bhi s ALA 11 Ca 0.43 -0.32 -0.28 0.00 0.00 0.00 0.00 51.96 51.79 1bhi s ALA 11 Cb -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1bhi s ALA 11 CO -0.02 0.11 2.14 -1.25 0.00 0.00 0.00 175.76 176.74 1bhi s PRO 12 N -0.31 3.07 0.00 0.00 0.04 -1.26 -1.83 135.00 134.71 1bhi s PRO 12 Ca 0.01 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1bhi s PRO 12 Cb -0.03 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1bhi s PRO 12 CO -0.00 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.28 1bhi n GLY 13 N 5.72 1.44 0.10 0.56 0.00 -1.26 -4.63 105.19 107.12 1bhi n GLY 13 Ca 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 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 1.21 0.00 3.89 0.00 0.00 -0.76 -4.85 105.19 104.67 1bhi n GLY 15 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 2.84 0.09 1.61 -0.21 -1.26 -4.62 119.66 118.11 1bhi s GLN 16 Ca 0.00 0.41 0.09 0.00 0.02 0.00 0.00 55.36 55.89 1bhi s GLN 16 Cb 0.00 -2.04 -0.03 0.00 1.00 0.00 0.00 33.01 31.94 1bhi s GLN 16 CO 0.00 -1.02 -0.24 0.50 -2.12 0.00 0.00 175.29 172.40 1bhi s ARG 17 N -5.34 1.43 0.32 2.91 3.00 -1.26 -1.16 118.95 118.85 1bhi s ARG 17 Ca 0.58 -1.18 0.04 0.00 -1.00 0.00 0.00 55.73 54.17 1bhi s ARG 17 Cb -0.11 -1.73 -0.01 0.00 0.00 0.00 0.00 34.95 33.10 1bhi s ARG 17 CO 0.51 0.42 0.34 1.19 0.00 0.00 0.00 175.30 177.76 1bhi n PHE 18 N 1.32 -0.98 -0.62 5.12 3.01 -1.15 -5.01 117.46 119.15 1bhi n PHE 18 Ca -0.18 -2.48 0.06 0.00 1.01 0.00 0.00 57.45 55.86 1bhi n PHE 18 Cb 0.53 0.36 0.11 0.00 -0.01 0.00 0.00 39.48 40.48 1bhi n PHE 18 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1bhi n THR 19 N -0.58 1.56 -3.74 4.37 -1.04 -1.26 -3.35 114.28 110.25 1bhi n THR 19 Ca 0.05 -1.67 -0.13 0.00 -2.04 0.00 0.00 64.05 60.26 1bhi n THR 19 Cb 0.56 0.08 -0.10 0.00 -1.82 0.00 0.00 70.33 69.05 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 -1.94 -0.37 0.39 8.00 -0.87 -1.26 -5.03 114.94 113.87 1bhi s ASN 20 Ca 0.22 0.65 0.16 0.00 -1.57 0.00 0.00 52.86 52.33 1bhi s ASN 20 Cb 0.18 0.70 0.83 0.00 -0.02 0.00 0.00 41.25 42.93 1bhi s ASN 20 CO 0.04 -0.19 1.84 -0.08 -2.57 0.00 0.00 177.10 176.14 1bhi h GLU 21 N 5.23 0.00 -0.25 -0.60 4.57 -1.98 -2.96 114.58 118.59 1bhi h GLU 21 Ca -0.27 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 57.95 1bhi h GLU 21 Cb 1.18 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.73 1bhi h GLU 21 CO 0.29 0.34 -0.02 -0.44 -1.18 0.00 0.00 179.01 178.00 1bhi h ASP 22 N 0.00 -0.14 -0.50 1.04 5.19 -1.99 0.37 116.42 120.39 1bhi h ASP 22 Ca -0.00 0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 56.35 1bhi h ASP 22 Cb 0.66 0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.27 1bhi h ASP 22 CO 0.04 -0.04 -0.12 0.45 -3.12 0.00 0.00 179.24 176.45 1bhi h HIS 23 N 0.05 1.11 0.00 4.55 3.86 -1.96 -2.37 115.15 120.39 1bhi h HIS 23 Ca 0.12 -0.23 -0.06 0.00 -1.16 0.00 0.00 60.37 59.03 1bhi h HIS 23 Cb 0.16 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1bhi h HIS 23 CO -0.21 1.04 -0.30 1.25 0.86 0.00 0.00 177.93 180.57 1bhi h LEU 24 N 0.88 0.00 0.78 2.43 5.85 -1.26 -1.40 115.31 122.59 1bhi h LEU 24 Ca 0.13 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1bhi h LEU 24 Cb 0.68 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.72 1bhi h LEU 24 CO 0.05 0.30 -0.37 0.00 -0.34 0.00 0.00 178.44 178.08 1bhi h ALA 25 N 1.70 -1.05 -0.48 1.25 0.00 0.26 0.22 119.26 121.16 1bhi h ALA 25 Ca -0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1bhi h ALA 25 Cb 0.56 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1bhi h ALA 25 CO 0.04 -0.99 0.10 -0.39 0.00 0.00 0.00 179.25 178.00 1bhi h VAL 26 N -1.24 1.21 0.66 0.00 -1.51 -1.50 0.32 116.25 114.19 1bhi h VAL 26 Ca -0.11 -0.78 -0.03 0.00 -1.23 0.00 0.00 66.70 64.55 1bhi h VAL 26 Cb 0.81 0.74 0.01 0.00 -2.13 0.00 0.00 31.29 30.72 1bhi h VAL 26 CO 0.18 0.29 -0.32 -0.74 -1.23 0.00 0.00 177.57 175.75 1bhi h HIS 27 N 0.71 -0.82 -0.39 5.19 6.17 -1.21 -2.87 115.15 121.94 1bhi h HIS 27 Ca 0.16 -0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.18 1bhi h HIS 27 Cb 0.29 0.27 -0.02 0.00 2.52 0.00 0.00 27.41 30.47 1bhi h HIS 27 CO 0.01 -0.48 0.07 1.57 0.71 0.00 0.00 177.93 179.82 1bhi h LYS 28 N -1.15 0.58 -0.73 5.26 2.10 -0.52 -2.47 116.57 119.63 1bhi h LYS 28 Ca -0.09 -0.11 0.07 0.00 -2.00 0.00 0.00 60.65 58.53 1bhi h LYS 28 Cb 0.71 -0.09 -0.06 0.00 -0.90 0.00 0.00 32.23 31.88 1bhi h LYS 28 CO 0.15 0.55 0.40 1.25 -2.00 0.00 0.00 179.45 179.80 1bhi h HIS 29 N 0.56 0.73 0.00 0.07 2.76 -0.93 0.58 115.15 118.93 1bhi h HIS 29 Ca 0.13 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1bhi h HIS 29 Cb 0.26 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 1bhi h HIS 29 CO 0.01 0.32 -0.00 -0.22 -1.30 0.00 0.00 177.93 176.74 1bhi h LYS 30 N 0.71 0.00 0.02 5.26 3.64 -1.21 0.62 116.57 125.61 1bhi h LYS 30 Ca 0.34 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.39 1bhi h LYS 30 Cb 0.26 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 1bhi h LYS 30 CO -0.21 0.00 -1.97 0.72 -2.27 0.00 0.00 179.45 175.72 1bhi n HIS 31 N -4.26 0.71 0.08 1.91 8.25 -0.03 -4.35 115.22 117.53 1bhi n HIS 31 Ca -0.03 0.23 -0.14 0.00 -0.26 0.00 0.00 57.72 57.52 1bhi n HIS 31 Cb 0.09 -1.12 -0.07 0.00 1.12 0.00 0.00 29.99 30.00 1bhi n HIS 31 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1bhi h GLU 32 N 0.01 0.36 -7.11 -0.41 4.81 0.53 -3.45 114.58 109.31 1bhi h GLU 32 Ca -0.39 -0.45 -0.50 0.00 -0.13 0.00 0.00 59.36 57.89 1bhi h GLU 32 Cb 2.07 0.14 0.08 0.00 0.63 0.00 0.00 28.75 31.67 1bhi h GLU 32 CO 0.06 1.14 0.42 0.00 -0.73 0.00 0.00 179.01 179.89 1bhi s MET 33 N -3.08 3.20 -0.44 1.92 0.23 0.17 -5.01 119.30 116.29 1bhi s MET 33 Ca -0.05 1.56 0.07 0.00 -1.03 0.00 0.00 55.69 56.24 1bhi s MET 33 Cb 0.08 -1.99 0.26 0.00 -1.53 0.00 0.00 34.83 31.65 1bhi s MET 33 CO 0.87 -0.96 0.78 -2.37 -2.03 0.00 0.00 175.02 171.31 1bhi n THR 34 N -1.59 -0.25 -2.48 3.16 5.66 -1.26 -4.91 114.28 112.61 1bhi n THR 34 Ca 0.11 -2.60 -0.20 0.00 -3.05 0.00 0.00 64.05 58.31 1bhi n THR 34 Cb 0.51 0.18 -0.00 0.00 -1.55 0.00 0.00 70.33 69.47 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 1.32 -2.04 -3.15 1.09 7.94 -1.26 -4.95 117.00 115.95 1bhi n LEU 35 Ca 0.14 -0.06 0.04 0.00 -1.11 0.00 0.00 56.01 55.03 1bhi n LEU 35 Cb 0.61 -2.87 -0.01 0.00 0.53 0.00 0.00 43.42 41.67 1bhi n LEU 35 CO 0.10 -0.14 0.29 -0.75 -1.11 0.00 0.00 177.39 175.77 1bhi s LYS 36 N -5.11 0.45 0.15 1.96 2.20 -1.26 -5.04 119.74 113.08 1bhi s LYS 36 Ca 0.05 0.77 -0.14 0.00 -0.36 0.00 0.00 55.97 56.29 1bhi s LYS 36 Cb -0.02 0.42 0.02 0.00 -1.51 0.00 0.00 37.83 36.75 1bhi s LYS 36 CO 0.06 -0.52 1.68 0.35 -0.36 0.00 0.00 175.35 176.55 1bhi h PHE 37 N 7.98 0.75 0.00 4.03 3.57 -1.99 -3.44 116.94 127.84 1bhi h PHE 37 Ca -0.19 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1bhi h PHE 37 Cb 1.17 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1bhi h PHE 37 CO 0.10 0.66 0.00 0.41 -2.23 0.00 0.00 178.31 177.24