#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f8b n SER 2 N 0.00 2.47 -3.62 1.61 7.64 -1.26 -5.02 113.62 115.45 2f8b n SER 2 Ca 0.00 1.17 -0.16 0.00 1.01 0.00 0.00 58.87 60.90 2f8b n SER 2 Cb 0.00 -1.42 -0.07 0.00 -1.01 0.00 0.00 64.21 61.71 2f8b n SER 2 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2f8b s HIS 3 N -0.64 -0.50 0.06 1.43 0.00 -1.26 -5.18 115.29 109.20 2f8b s HIS 3 Ca 0.62 0.90 -0.26 0.00 -3.00 0.00 0.00 55.06 53.32 2f8b s HIS 3 Cb -0.63 0.29 0.08 0.00 -4.00 0.00 0.00 32.58 28.32 2f8b s HIS 3 CO 0.57 -0.50 0.72 1.41 -1.00 0.00 0.00 174.74 175.93 2f8b s MET 4 N -1.05 1.07 0.16 -0.38 -2.45 -1.26 -5.18 119.30 110.20 2f8b s MET 4 Ca -0.11 -0.28 -0.16 0.00 -1.25 0.00 0.00 55.69 53.90 2f8b s MET 4 Cb -0.02 0.49 0.03 0.00 1.25 0.00 0.00 34.83 36.58 2f8b s MET 4 CO 0.07 -0.44 0.44 0.00 1.05 0.00 0.00 175.02 176.14 2f8b s ALA 5 N -3.03 -0.85 0.21 4.11 0.00 -1.26 -5.20 121.76 115.74 2f8b s ALA 5 Ca 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.60 2f8b s ALA 5 Cb -0.01 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.91 2f8b s ALA 5 CO -0.08 -0.71 0.53 -1.83 0.00 0.00 0.00 175.76 173.67 2f8b s GLU 6 N -3.85 1.43 1.08 0.00 1.03 -1.26 -5.17 118.70 111.95 2f8b s GLU 6 Ca 0.07 -0.93 -0.17 0.00 0.03 0.00 0.00 54.97 53.97 2f8b s GLU 6 Cb 0.01 0.52 0.24 0.00 -0.80 0.00 0.00 34.13 34.09 2f8b s GLU 6 CO -0.07 -0.61 1.19 -1.25 -1.33 0.00 0.00 175.26 173.19 2f8b s PRO 7 N -3.90 -0.24 0.00 -4.83 0.04 -1.26 -4.46 135.00 120.35 2f8b s PRO 7 Ca 0.11 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.02 2f8b s PRO 7 Cb -0.01 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.81 2f8b s PRO 7 CO -0.01 -3.05 0.00 1.04 0.04 0.00 0.00 177.00 175.03 2f8b n GLN 8 N -4.27 0.00 -1.53 4.56 3.00 -1.24 -4.82 117.38 113.08 2f8b n GLN 8 Ca 0.13 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.90 2f8b n GLN 8 Cb 0.59 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.69 2f8b n GLN 8 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2f8b n ARG 9 N 0.00 0.32 -4.24 -1.09 0.00 -1.26 0.12 116.66 110.51 2f8b n ARG 9 Ca 0.00 -0.33 -0.21 0.00 -0.00 0.00 0.00 57.85 57.31 2f8b n ARG 9 Cb 0.00 -2.35 -0.12 0.00 0.00 0.00 0.00 32.46 29.99 2f8b n ARG 9 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2f8b s HIS 10 N 7.99 1.56 -0.37 -0.14 3.76 0.38 -4.77 115.29 123.71 2f8b s HIS 10 Ca 1.14 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 55.61 2f8b s HIS 10 Cb -0.55 -0.85 0.12 0.00 1.11 0.00 0.00 32.58 32.40 2f8b s HIS 10 CO 0.34 0.15 0.16 0.15 -0.85 0.00 0.00 174.74 174.70 2f8b s LYS 11 N -1.95 0.96 -0.70 1.40 1.02 -1.25 -0.99 119.74 118.23 2f8b s LYS 11 Ca 0.04 -1.50 -0.23 0.00 0.02 0.00 0.00 55.97 54.30 2f8b s LYS 11 Cb -0.09 -2.13 0.07 0.00 -0.52 0.00 0.00 37.83 35.15 2f8b s LYS 11 CO 0.04 -1.07 1.05 0.42 -0.92 0.00 0.00 175.35 174.87 2f8b s ILE 12 N 1.05 4.22 -0.23 2.17 1.01 -0.06 -4.76 121.20 124.60 2f8b s ILE 12 Ca 0.13 -0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 2f8b s ILE 12 Cb -0.21 -4.75 -0.03 0.00 0.01 0.00 0.00 42.46 37.48 2f8b s ILE 12 CO -0.12 -1.55 1.83 -0.22 0.00 0.00 0.00 174.94 174.87 2f8b s LEU 13 N 4.32 3.74 0.00 2.97 0.20 -1.26 -0.61 118.68 128.03 2f8b s LEU 13 Ca 0.26 1.68 0.00 0.00 0.69 0.00 0.00 54.13 56.76 2f8b s LEU 13 Cb -0.14 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.10 2f8b s LEU 13 CO 0.09 -1.51 0.00 0.00 -0.29 0.00 0.00 176.35 174.64 2f8b s VAL 15 N -0.47 1.73 0.15 0.00 -7.23 -1.26 -0.60 120.40 112.72 2f8b s VAL 15 Ca 0.00 -1.88 -0.30 0.00 -1.81 0.00 0.00 61.98 57.99 2f8b s VAL 15 Cb 0.00 -1.79 -0.07 0.00 0.56 0.00 0.00 36.38 35.08 2f8b s VAL 15 CO 0.00 -0.33 1.20 0.00 -0.31 0.00 0.00 175.10 175.66 2f8b n LYS 18 N -4.84 2.77 0.13 0.00 2.85 -1.26 -4.41 118.16 113.40 2f8b n LYS 18 Ca 0.21 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.60 2f8b n LYS 18 Cb 0.55 -0.29 0.27 0.00 -0.65 0.00 0.00 35.03 34.90 2f8b n LYS 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2f8b n ASP 20 N -2.51 -4.84 -3.70 0.00 2.03 -1.12 -5.00 116.55 101.41 2f8b n ASP 20 Ca 0.04 -1.06 -0.11 0.00 0.52 0.00 0.00 54.79 54.18 2f8b n ASP 20 Cb 0.47 -2.20 -0.06 0.00 -0.72 0.00 0.00 41.12 38.61 2f8b n ASP 20 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2f8b s GLY 21 N -3.29 -0.20 0.23 0.27 0.00 -1.25 -4.95 107.32 98.12 2f8b s GLY 21 Ca 0.29 0.05 -0.30 0.00 0.00 0.00 0.00 44.72 44.76 2f8b s GLY 21 CO 0.91 -0.19 1.48 -1.60 0.00 0.00 0.00 173.10 173.70 2f8b s ARG 22 N -2.96 4.25 0.13 2.90 3.00 -1.26 -0.01 118.95 125.00 2f8b s ARG 22 Ca -0.02 2.32 0.09 0.00 -1.00 0.00 0.00 55.73 57.12 2f8b s ARG 22 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 34.95 31.79 2f8b s ARG 22 CO -0.06 -0.48 -0.22 0.42 0.00 0.00 0.00 175.30 174.96 2f8b s ILE 23 N 0.32 1.93 -0.70 4.11 1.01 0.23 -4.82 121.20 123.28 2f8b s ILE 23 Ca 0.62 -1.69 0.02 0.00 0.00 0.00 0.00 60.65 59.59 2f8b s ILE 23 Cb -0.42 -1.76 0.17 0.00 0.01 0.00 0.00 42.46 40.46 2f8b s ILE 23 CO 0.40 -0.06 0.51 -0.70 0.00 0.00 0.00 174.94 175.09 2f8b s GLU 24 N -2.14 2.59 -0.89 2.79 2.12 -1.26 -0.39 118.70 121.53 2f8b s GLU 24 Ca 0.11 -3.03 -0.25 0.00 0.36 0.00 0.00 54.97 52.17 2f8b s GLU 24 Cb -0.09 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 2f8b s GLU 24 CO 0.05 -1.22 1.90 -0.51 -0.54 0.00 0.00 175.26 174.94 2f8b s LEU 25 N -0.92 3.20 -1.00 2.70 1.43 0.22 -4.79 118.68 119.52 2f8b s LEU 25 Ca 0.22 -0.67 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 2f8b s LEU 25 Cb -0.13 -2.56 0.12 0.00 0.03 0.00 0.00 46.19 43.65 2f8b s LEU 25 CO -0.09 -2.62 1.27 -0.89 0.23 0.00 0.00 176.35 174.24 2f8b s THR 26 N 9.61 4.56 0.64 5.49 2.01 -1.26 -0.88 115.64 135.81 2f8b s THR 26 Ca 0.68 -1.55 0.00 0.00 0.31 0.00 0.00 61.69 61.13 2f8b s THR 26 Cb -0.07 -4.88 0.08 0.00 0.01 0.00 0.00 72.50 67.65 2f8b s THR 26 CO -0.00 -1.64 0.89 0.68 -0.69 0.00 0.00 174.62 173.86 2f8b s VAL 27 N 3.12 2.37 -0.36 3.82 -7.23 -0.16 -4.90 120.40 117.06 2f8b s VAL 27 Ca 0.38 -0.63 -0.00 0.00 -1.81 0.00 0.00 61.98 59.91 2f8b s VAL 27 Cb -0.03 -2.73 0.12 0.00 0.56 0.00 0.00 36.38 34.30 2f8b s VAL 27 CO -0.08 0.00 0.17 -0.70 -0.31 0.00 0.00 175.10 174.19 2f8b s GLU 28 N -4.96 0.79 -0.01 4.82 2.12 -1.26 -0.47 118.70 119.74 2f8b s GLU 28 Ca 0.62 -1.36 -0.17 0.00 0.36 0.00 0.00 54.97 54.42 2f8b s GLU 28 Cb -0.08 -1.84 0.03 0.00 0.26 0.00 0.00 34.13 32.50 2f8b s GLU 28 CO 0.41 -1.10 0.36 -1.12 -0.54 0.00 0.00 175.26 173.28 2f8b s SER 29 N 1.16 -0.25 0.68 -1.70 0.01 0.12 -4.84 113.70 108.87 2f8b s SER 29 Ca 0.14 0.15 -0.14 0.00 1.31 0.00 0.00 55.95 57.41 2f8b s SER 29 Cb -0.21 0.35 0.01 0.00 0.21 0.00 0.00 66.02 66.38 2f8b s SER 29 CO -0.13 -0.49 1.10 -0.44 0.41 0.00 0.00 173.24 173.69 2f8b s SER 30 N -1.40 5.08 0.18 2.44 0.01 -1.26 -3.70 113.70 115.05 2f8b s SER 30 Ca -0.12 1.92 -0.13 0.00 1.31 0.00 0.00 55.95 58.93 2f8b s SER 30 Cb -0.04 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 63.77 2f8b s SER 30 CO 0.04 -1.65 1.80 0.00 0.41 0.00 0.00 173.24 173.85 2f8b h ALA 31 N -0.20 0.66 0.00 1.44 0.00 -1.98 0.35 119.26 119.53 2f8b h ALA 31 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2f8b h ALA 31 Cb 1.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2f8b h ALA 31 CO 0.54 -0.03 0.00 0.93 0.00 0.00 0.00 179.25 180.70 2f8b h GLU 32 N 0.57 0.00 0.20 0.00 4.39 -1.97 -0.49 114.58 117.27 2f8b h GLU 32 Ca 0.22 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.59 2f8b h GLU 32 Cb 0.07 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2f8b h GLU 32 CO -0.12 0.00 -1.51 0.22 -1.16 0.00 0.00 179.01 176.44 2f8b h ASP 33 N 0.00 0.65 -0.61 1.42 1.82 -1.62 0.99 116.42 119.07 2f8b h ASP 33 Ca 0.00 -0.78 0.04 0.00 -0.39 0.00 0.00 57.03 55.90 2f8b h ASP 33 Cb 0.81 -0.21 -0.04 0.00 0.68 0.00 0.00 39.33 40.57 2f8b h ASP 33 CO 0.00 1.62 0.36 0.25 -1.61 0.00 0.00 179.24 179.86 2f8b h LEU 34 N 0.11 0.56 -0.48 2.28 6.46 -0.27 -0.05 115.31 123.92 2f8b h LEU 34 Ca -0.25 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.48 2f8b h LEU 34 Cb 2.10 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 41.90 2f8b h LEU 34 CO 0.22 0.38 0.13 -0.09 -0.62 0.00 0.00 178.44 178.47 2f8b h ARG 35 N 0.69 0.76 -0.16 1.25 2.43 -1.01 0.29 114.38 118.64 2f8b h ARG 35 Ca 0.25 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2f8b h ARG 35 Cb 0.08 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 2f8b h ARG 35 CO -0.13 0.73 -0.05 1.15 -1.51 0.00 0.00 179.97 180.17 2f8b h THR 36 N 0.65 0.83 0.00 0.20 2.02 -0.41 0.07 112.91 116.27 2f8b h THR 36 Ca 0.15 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 2f8b h THR 36 Cb 0.30 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2f8b h THR 36 CO -0.00 0.00 -0.15 0.17 0.37 0.00 0.00 175.52 175.90 2f8b h LEU 37 N -0.01 0.00 -1.06 2.58 8.10 -0.72 -0.30 115.31 123.90 2f8b h LEU 37 Ca 0.08 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.98 2f8b h LEU 37 Cb 0.13 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.34 2f8b h LEU 37 CO -0.17 0.15 -0.33 -0.61 -4.11 0.00 0.00 178.44 173.37 2f8b h GLN 38 N 0.00 0.24 -0.21 0.17 4.15 0.47 0.16 115.11 120.09 2f8b h GLN 38 Ca -0.00 -0.10 -0.13 0.00 0.77 0.00 0.00 58.65 59.19 2f8b h GLN 38 Cb 0.54 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 2f8b h GLN 38 CO 0.02 0.55 -0.44 1.96 -1.93 0.00 0.00 178.83 179.00 2f8b h GLN 39 N 0.21 0.51 0.00 1.69 1.08 0.68 -0.61 115.11 118.67 2f8b h GLN 39 Ca 0.03 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 56.93 2f8b h GLN 39 Cb 0.70 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 2f8b h GLN 39 CO 0.05 0.85 -0.12 -0.07 -0.95 0.00 0.00 178.83 178.60 2f8b h LEU 40 N 0.42 0.00 0.01 1.46 3.38 -0.70 0.16 115.31 120.04 2f8b h LEU 40 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2f8b h LEU 40 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2f8b h LEU 40 CO 0.08 0.12 -0.00 0.15 0.09 0.00 0.00 178.44 178.87 2f8b h PHE 41 N 0.00 -0.01 0.00 1.13 3.04 -0.37 0.08 116.94 120.80 2f8b h PHE 41 Ca -0.00 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 2f8b h PHE 41 Cb 0.21 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 2f8b h PHE 41 CO 0.00 0.22 -0.19 -0.07 -2.02 0.00 0.00 178.31 176.25 2f8b h LEU 42 N -0.24 0.00 0.00 0.59 3.38 -0.63 -3.17 115.31 115.24 2f8b h LEU 42 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2f8b h LEU 42 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2f8b h LEU 42 CO 0.00 0.19 0.00 -0.24 0.09 0.00 0.00 178.44 178.48 2f8b n SER 43 N -3.69 0.00 0.00 -0.43 2.88 0.52 -4.93 113.62 107.97 2f8b n SER 43 Ca -0.01 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2f8b n SER 43 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 2f8b n SER 43 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2f8b n THR 44 N -0.38 0.00 -2.21 2.46 -2.24 -0.58 -5.08 114.28 106.24 2f8b n THR 44 Ca 0.00 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 2f8b n THR 44 Cb 0.00 0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 2f8b n THR 44 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2f8b s LEU 45 N -0.14 3.52 0.60 3.22 0.20 -0.09 -4.97 118.68 121.03 2f8b s LEU 45 Ca 0.00 0.93 0.05 0.00 0.69 0.00 0.00 54.13 55.80 2f8b s LEU 45 Cb 0.00 -3.44 0.09 0.00 -0.43 0.00 0.00 46.19 42.41 2f8b s LEU 45 CO 0.00 -1.60 0.83 -0.94 -0.29 0.00 0.00 176.35 174.34 2f8b s SER 46 N 4.97 4.94 0.01 3.68 1.04 -1.26 -4.37 113.70 122.71 2f8b s SER 46 Ca 0.68 -0.56 0.05 0.00 0.48 0.00 0.00 55.95 56.60 2f8b s SER 46 Cb -0.17 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 2f8b s SER 46 CO 0.32 -1.42 -0.16 -0.36 0.98 0.00 0.00 173.24 172.59 2f8b s PHE 47 N -2.79 1.43 -0.39 5.02 0.08 -1.26 -5.04 117.98 115.02 2f8b s PHE 47 Ca 0.62 -0.31 0.03 0.00 0.12 0.00 0.00 56.93 57.39 2f8b s PHE 47 Cb -0.07 -0.88 0.16 0.00 -0.57 0.00 0.00 43.02 41.66 2f8b s PHE 47 CO 0.40 0.01 0.32 0.08 -0.10 0.00 0.00 175.22 175.94 2f8b s VAL 48 N -0.58 0.15 0.91 -0.44 1.01 -1.26 -1.72 120.40 118.47 2f8b s VAL 48 Ca 0.05 -2.14 -0.12 0.00 0.00 0.00 0.00 61.98 59.77 2f8b s VAL 48 Cb -0.07 -1.10 0.07 0.00 0.00 0.00 0.00 36.38 35.28 2f8b s VAL 48 CO 0.00 -1.05 0.72 0.00 0.00 0.00 0.00 175.10 174.77 2f8b h PRO 50 N -1.53 0.00 0.55 0.00 0.13 -2.01 0.19 132.00 129.32 2f8b h PRO 50 Ca -0.44 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 2f8b h PRO 50 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2f8b h PRO 50 CO 0.38 0.00 -0.31 2.35 -0.23 0.00 0.00 178.00 180.18 2f8b h TRP 51 N 0.00 -0.83 0.00 1.56 7.01 -1.99 -1.41 115.95 120.29 2f8b h TRP 51 Ca 0.04 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 2f8b h TRP 51 Cb 0.23 0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 2f8b h TRP 51 CO 0.00 -0.48 -0.20 0.00 -2.79 0.00 0.00 178.44 174.97 2f8b h ALA 53 N 1.80 1.42 0.22 0.00 0.00 -0.49 0.28 119.26 122.50 2f8b h ALA 53 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2f8b h ALA 53 Cb 0.63 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2f8b h ALA 53 CO 0.03 0.47 -0.11 1.15 0.00 0.00 0.00 179.25 180.79 2f8b h THR 54 N 1.15 0.00 0.04 0.00 2.02 -0.86 -3.40 112.91 111.86 2f8b h THR 54 Ca 0.38 -0.60 -0.22 0.00 0.77 0.00 0.00 66.41 66.75 2f8b h THR 54 Cb 0.06 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 2f8b h THR 54 CO -0.13 0.00 -1.01 0.78 0.37 0.00 0.00 175.52 175.53 2f8b h ASN 55 N -0.90 0.21 0.00 4.18 -0.26 -0.58 -3.51 115.58 114.73 2f8b h ASN 55 Ca -0.03 -0.21 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 2f8b h ASN 55 Cb 0.23 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 2f8b h ASN 55 CO 0.05 1.10 0.00 1.67 -1.06 0.00 0.00 177.43 179.19