#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 -3.56 -4.79 7.83 7.64 -1.26 -4.93 113.62 114.55 1bhi n SER 2 Ca 0.00 -0.84 -0.32 0.00 1.01 0.00 0.00 58.87 58.72 1bhi n SER 2 Cb 0.00 -3.67 0.05 0.00 -1.01 0.00 0.00 64.21 59.57 1bhi n SER 2 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1bhi s ASP 3 N -3.58 5.23 0.03 6.43 1.11 -1.26 -4.98 116.67 119.64 1bhi s ASP 3 Ca 0.50 1.80 0.22 0.00 0.18 0.00 0.00 52.55 55.26 1bhi s ASP 3 Cb -0.26 -2.52 -0.18 0.00 1.07 0.00 0.00 42.92 41.03 1bhi s ASP 3 CO 0.85 -1.55 0.75 -0.90 1.18 0.00 0.00 175.17 175.50 1bhi n ASP 4 N -2.77 0.41 -0.20 0.27 5.75 -1.26 -4.45 116.55 114.30 1bhi n ASP 4 Ca 0.09 -0.11 -0.09 0.00 -0.01 0.00 0.00 54.79 54.68 1bhi n ASP 4 Cb 0.53 1.33 0.02 0.00 -1.03 0.00 0.00 41.12 41.97 1bhi n ASP 4 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1bhi h LYS 5 N 0.00 0.93 -6.18 0.11 1.79 -1.98 -3.41 116.57 107.82 1bhi h LYS 5 Ca 0.00 -0.25 -0.58 0.00 -2.18 0.00 0.00 60.65 57.64 1bhi h LYS 5 Cb 0.88 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.40 1bhi h LYS 5 CO 0.00 0.89 1.33 -1.25 -1.08 0.00 0.00 179.45 179.34 1bhi s PRO 6 N -5.21 3.36 -0.81 3.15 0.05 -1.26 -4.79 135.00 129.50 1bhi s PRO 6 Ca -0.12 1.72 -0.25 0.00 0.05 0.00 0.00 61.00 62.39 1bhi s PRO 6 Cb 0.13 -4.23 0.04 0.00 0.05 0.00 0.00 34.50 30.48 1bhi s PRO 6 CO 0.82 -1.82 1.29 -0.06 0.05 0.00 0.00 177.00 177.27 1bhi s PHE 7 N 7.03 2.41 -0.32 0.56 0.08 -0.66 -4.92 117.98 122.16 1bhi s PHE 7 Ca 0.86 -0.34 -0.18 0.00 0.12 0.00 0.00 56.93 57.40 1bhi s PHE 7 Cb -0.27 -4.60 -0.01 0.00 -0.57 0.00 0.00 43.02 37.56 1bhi s PHE 7 CO 0.34 -1.98 0.52 -1.17 -0.10 0.00 0.00 175.22 172.82 1bhi s LEU 8 N 5.29 4.25 -1.02 -0.37 2.96 -1.26 -1.54 118.68 126.98 1bhi s LEU 8 Ca 0.36 0.14 -0.23 0.00 -0.22 0.00 0.00 54.13 54.19 1bhi s LEU 8 Cb -0.07 -2.61 0.03 0.00 0.50 0.00 0.00 46.19 44.04 1bhi s LEU 8 CO 0.08 -0.42 1.58 0.00 -1.32 0.00 0.00 176.35 176.26 1bhi n THR 10 N 7.06 0.16 -3.53 0.00 -1.04 -1.26 -3.88 114.28 111.78 1bhi n THR 10 Ca 0.36 -0.18 -0.17 0.00 -2.04 0.00 0.00 64.05 62.02 1bhi n THR 10 Cb 0.50 -1.34 -0.06 0.00 -1.82 0.00 0.00 70.33 67.61 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 6.65 -1.80 0.00 2.41 0.00 -1.26 -4.91 121.76 122.86 1bhi s ALA 11 Ca 1.11 1.38 0.00 0.00 0.00 0.00 0.00 51.96 54.45 1bhi s ALA 11 Cb -1.03 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1bhi s ALA 11 CO 0.55 -0.36 0.25 -0.35 0.00 0.00 0.00 175.76 175.84 1bhi n PRO 12 N 0.91 0.00 -0.39 0.00 -0.04 -1.26 -2.39 135.00 131.83 1bhi n PRO 12 Ca -0.17 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1bhi n PRO 12 Cb 0.57 -0.73 0.00 0.00 -0.04 0.00 0.00 33.50 33.30 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 2.40 0.97 0.55 0.00 -1.26 -4.20 105.19 104.59 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 -0.35 -0.21 3.83 0.00 0.00 -1.01 -4.94 105.19 102.51 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 -6.68 4.17 0.08 1.61 -0.21 -1.25 -4.80 119.66 112.57 1bhi s GLN 16 Ca 0.02 0.90 0.08 0.00 0.02 0.00 0.00 55.36 56.38 1bhi s GLN 16 Cb -0.01 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.51 1bhi s GLN 16 CO 0.91 0.15 -0.21 0.50 -2.12 0.00 0.00 175.29 174.52 1bhi s ARG 17 N -2.79 1.21 0.09 2.91 3.00 -1.26 -0.65 118.95 121.45 1bhi s ARG 17 Ca 0.54 -1.06 0.01 0.00 -1.00 0.00 0.00 55.73 54.22 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 0.34 -0.05 -0.06 0.00 0.00 0.00 175.30 175.71 1bhi s PHE 18 N -1.02 0.80 -0.64 5.12 0.40 -0.59 -4.98 117.98 117.07 1bhi s PHE 18 Ca 0.07 -0.98 0.25 0.00 -0.60 0.00 0.00 56.93 55.67 1bhi s PHE 18 Cb -0.09 -0.49 0.72 0.00 0.51 0.00 0.00 43.02 43.67 1bhi s PHE 18 CO 0.03 -0.24 1.74 1.79 0.70 0.00 0.00 175.22 179.25 1bhi h THR 19 N 3.00 0.00 -3.44 0.64 1.35 -1.89 -1.75 112.91 110.82 1bhi h THR 19 Ca -0.35 -0.58 -0.33 0.00 -0.55 0.00 0.00 66.41 64.59 1bhi h THR 19 Cb 1.16 1.57 -0.15 0.00 -1.73 0.00 0.00 68.15 69.01 1bhi h THR 19 CO 0.65 0.00 -0.69 0.54 -0.25 0.00 0.00 175.52 175.77 1bhi s ASN 20 N -4.91 1.68 0.39 5.36 2.20 -1.26 -4.80 114.94 113.59 1bhi s ASN 20 Ca 0.09 -1.11 0.23 0.00 -0.94 0.00 0.00 52.86 51.14 1bhi s ASN 20 Cb 0.10 0.02 0.35 0.00 -2.00 0.00 0.00 41.25 39.73 1bhi s ASN 20 CO 0.60 -0.44 1.56 1.05 -2.94 0.00 0.00 177.10 176.94 1bhi h GLU 21 N 2.67 0.00 0.06 3.55 4.11 -1.93 -3.25 114.58 119.79 1bhi h GLU 21 Ca -0.37 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.07 1bhi h GLU 21 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1bhi h GLU 21 CO 0.64 0.00 -0.10 -0.44 0.07 0.00 0.00 179.01 179.18 1bhi h ASP 22 N 0.00 -0.26 -0.05 3.06 5.19 -1.99 0.37 116.42 122.74 1bhi h ASP 22 Ca 0.00 0.03 -0.09 0.00 -0.62 0.00 0.00 57.03 56.35 1bhi h ASP 22 Cb 0.97 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 1bhi h ASP 22 CO 0.00 -0.15 -0.24 0.45 -3.12 0.00 0.00 179.24 176.18 1bhi h HIS 23 N -0.19 0.52 -0.25 4.55 3.86 -2.00 -2.27 115.15 119.37 1bhi h HIS 23 Ca 0.02 -0.11 -0.07 0.00 -1.16 0.00 0.00 60.37 59.05 1bhi h HIS 23 Cb 0.21 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1bhi h HIS 23 CO -0.13 0.68 -0.14 1.25 0.86 0.00 0.00 177.93 180.45 1bhi h LEU 24 N 0.42 0.41 0.63 2.43 5.85 -1.43 -1.52 115.31 122.09 1bhi h LEU 24 Ca 0.06 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1bhi h LEU 24 Cb 0.65 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.57 1bhi h LEU 24 CO 0.05 0.59 -0.30 0.00 -0.34 0.00 0.00 178.44 178.43 1bhi h ALA 25 N 1.46 -0.84 -0.65 1.25 0.00 0.32 0.13 119.26 120.92 1bhi h ALA 25 Ca 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1bhi h ALA 25 Cb 0.48 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1bhi h ALA 25 CO 0.03 -0.87 0.33 -0.39 0.00 0.00 0.00 179.25 178.35 1bhi h VAL 26 N -1.05 1.20 0.47 0.00 -1.51 -1.51 0.83 116.25 114.70 1bhi h VAL 26 Ca -0.09 -0.55 -0.02 0.00 -1.23 0.00 0.00 66.70 64.82 1bhi h VAL 26 Cb 0.69 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 1bhi h VAL 26 CO 0.14 0.23 -0.23 -0.74 -1.23 0.00 0.00 177.57 175.75 1bhi h HIS 27 N 0.92 -0.59 -0.23 5.19 6.17 -1.20 -2.90 115.15 122.51 1bhi h HIS 27 Ca 0.23 -0.01 -0.08 0.00 0.71 0.00 0.00 60.37 61.22 1bhi h HIS 27 Cb 0.06 0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.17 1bhi h HIS 27 CO 0.01 -0.26 -0.19 1.57 0.71 0.00 0.00 177.93 179.77 1bhi h LYS 28 N -0.93 0.40 -0.84 5.26 2.10 -0.66 -2.45 116.57 119.45 1bhi h LYS 28 Ca -0.06 -0.12 0.12 0.00 -2.00 0.00 0.00 60.65 58.58 1bhi h LYS 28 Cb 0.59 -0.04 -0.08 0.00 -0.90 0.00 0.00 32.23 31.80 1bhi h LYS 28 CO 0.11 0.57 0.46 1.25 -2.00 0.00 0.00 179.45 179.84 1bhi h HIS 29 N 0.36 0.82 -0.60 0.07 2.76 -0.82 0.13 115.15 117.87 1bhi h HIS 29 Ca 0.06 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.23 1bhi h HIS 29 Cb 0.54 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 1bhi h HIS 29 CO 0.01 0.28 0.24 -0.22 -1.30 0.00 0.00 177.93 176.94 1bhi h LYS 30 N 0.72 0.87 0.05 5.26 3.64 -1.22 0.54 116.57 126.43 1bhi h LYS 30 Ca 0.43 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1bhi h LYS 30 Cb 0.49 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1bhi h LYS 30 CO -0.30 0.71 -0.02 0.45 -2.27 0.00 0.00 179.45 178.02 1bhi h HIS 31 N 0.86 -0.06 -0.77 1.91 3.86 -0.86 -0.51 115.15 119.57 1bhi h HIS 31 Ca 0.20 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.45 1bhi h HIS 31 Cb 0.17 0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.61 1bhi h HIS 31 CO 0.01 0.42 0.51 0.93 0.86 0.00 0.00 177.93 180.66 1bhi h GLU 32 N -0.57 0.89 0.48 2.45 3.07 -0.73 -2.89 114.58 117.28 1bhi h GLU 32 Ca -0.01 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 1bhi h GLU 32 Cb 0.51 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1bhi h GLU 32 CO 0.01 0.59 -0.23 1.98 -1.40 0.00 0.00 179.01 179.96 1bhi h MET 33 N 0.92 -0.63 0.00 2.33 4.05 -0.83 -3.50 114.93 117.28 1bhi h MET 33 Ca 0.32 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.78 1bhi h MET 33 Cb 0.10 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1bhi h MET 33 CO -0.10 -0.32 0.00 -2.37 0.23 0.00 0.00 176.91 174.35 1bhi n THR 34 N -5.25 0.00 -2.68 -0.77 5.66 -0.21 -5.06 114.28 105.97 1bhi n THR 34 Ca -0.10 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.82 1bhi n THR 34 Cb 0.31 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.13 1bhi n THR 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1bhi n LEU 35 N 0.00 1.00 -4.65 1.09 4.77 -1.26 -4.01 117.00 113.94 1bhi n LEU 35 Ca 0.00 -3.60 -0.43 0.00 -0.03 0.00 0.00 56.01 51.95 1bhi n LEU 35 Cb 0.00 0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1bhi n LEU 35 CO 0.00 1.55 1.34 -0.75 -1.33 0.00 0.00 177.39 178.20 1bhi s LYS 36 N -2.73 4.05 0.20 3.23 2.20 -1.26 -4.89 119.74 120.53 1bhi s LYS 36 Ca 0.26 1.94 -0.12 0.00 -0.36 0.00 0.00 55.97 57.69 1bhi s LYS 36 Cb 0.44 -3.98 0.24 0.00 -1.51 0.00 0.00 37.83 33.02 1bhi s LYS 36 CO 0.01 -0.99 1.68 0.27 -0.36 0.00 0.00 175.35 175.96 1bhi h PHE 37 N 9.81 -0.02 0.00 4.03 -0.00 -1.99 -3.50 116.94 125.27 1bhi h PHE 37 Ca -0.36 0.04 0.00 0.00 -0.00 0.00 0.00 57.97 57.65 1bhi h PHE 37 Cb 1.16 0.10 0.00 0.00 -0.00 0.00 0.00 35.95 37.20 1bhi h PHE 37 CO 0.88 -0.13 0.00 0.41 -0.00 0.00 0.00 178.31 179.47