#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 3.05 0.00 1.61 3.41 -1.26 -4.64 113.62 115.78 2f8b n SER 2 Ca 0.00 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 2f8b n SER 2 Cb 0.00 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 2f8b n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2f8b n HIS 3 N 1.50 0.00 -3.61 7.33 -0.00 -1.26 -5.20 115.22 113.99 2f8b n HIS 3 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 2f8b n HIS 3 Cb 0.31 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.24 2f8b n HIS 3 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2f8b s MET 4 N -2.00 0.94 0.01 -1.40 -2.45 -1.26 -5.17 119.30 107.96 2f8b s MET 4 Ca 0.00 -0.04 -0.21 0.00 -1.25 0.00 0.00 55.69 54.19 2f8b s MET 4 Cb 0.00 0.43 0.04 0.00 1.25 0.00 0.00 34.83 36.56 2f8b s MET 4 CO 0.00 -0.30 0.46 0.00 1.05 0.00 0.00 175.02 176.23 2f8b s ALA 5 N -1.66 -1.17 0.05 4.11 0.00 -1.26 -5.09 121.76 116.74 2f8b s ALA 5 Ca -0.10 0.60 -0.05 0.00 0.00 0.00 0.00 51.96 52.42 2f8b s ALA 5 Cb -0.02 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 2f8b s ALA 5 CO 0.04 -0.39 0.07 -1.21 0.00 0.00 0.00 175.76 174.28 2f8b s GLU 6 N -1.83 0.63 0.91 0.00 2.02 -1.26 -5.12 118.70 114.04 2f8b s GLU 6 Ca -0.09 -0.93 -0.12 0.00 0.02 0.00 0.00 54.97 53.86 2f8b s GLU 6 Cb -0.02 0.24 0.13 0.00 0.10 0.00 0.00 34.13 34.59 2f8b s GLU 6 CO 0.03 -0.16 1.10 -1.25 0.02 0.00 0.00 175.26 175.00 2f8b s PRO 7 N -3.19 1.17 0.00 0.39 0.04 -1.26 -4.27 135.00 127.88 2f8b s PRO 7 Ca 0.00 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2f8b s PRO 7 Cb 0.02 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2f8b s PRO 7 CO -0.07 -2.27 0.00 1.04 0.04 0.00 0.00 177.00 175.74 2f8b n GLN 8 N -3.88 0.00 -1.57 4.56 3.00 -1.26 -4.84 117.38 113.40 2f8b n GLN 8 Ca 0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.92 2f8b n GLN 8 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.72 2f8b n GLN 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 2f8b s ARG 9 N 0.00 1.47 0.29 -1.09 3.00 -1.26 0.11 118.95 121.46 2f8b s ARG 9 Ca 0.00 0.30 0.10 0.00 -1.00 0.00 0.00 55.73 55.13 2f8b s ARG 9 Cb 0.00 -4.82 -0.05 0.00 0.00 0.00 0.00 34.95 30.07 2f8b s ARG 9 CO 0.00 -4.73 -0.14 -1.01 0.00 0.00 0.00 175.30 169.42 2f8b s HIS 10 N 15.46 2.19 -0.33 5.12 3.76 -0.08 -4.58 115.29 136.83 2f8b s HIS 10 Ca 0.91 -0.46 -0.01 0.00 -0.15 0.00 0.00 55.06 55.34 2f8b s HIS 10 Cb -0.11 -1.09 0.11 0.00 1.11 0.00 0.00 32.58 32.60 2f8b s HIS 10 CO 0.10 0.57 0.16 0.15 -0.85 0.00 0.00 174.74 174.87 2f8b s LYS 11 N -3.59 0.55 -0.64 1.40 3.01 -1.26 -1.18 119.74 118.05 2f8b s LYS 11 Ca 0.30 -1.05 -0.23 0.00 -1.01 0.00 0.00 55.97 53.97 2f8b s LYS 11 Cb -0.01 -1.55 0.06 0.00 -1.01 0.00 0.00 37.83 35.32 2f8b s LYS 11 CO 0.14 -1.08 0.97 0.42 0.51 0.00 0.00 175.35 176.31 2f8b s ILE 12 N 1.50 4.32 -0.16 2.17 1.01 -0.15 -4.79 121.20 125.10 2f8b s ILE 12 Ca 0.13 -0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 2f8b s ILE 12 Cb -0.19 -4.66 -0.05 0.00 0.01 0.00 0.00 42.46 37.58 2f8b s ILE 12 CO -0.20 -1.39 1.82 -0.22 0.00 0.00 0.00 174.94 174.95 2f8b s LEU 13 N 4.08 3.93 0.00 2.97 0.20 -1.26 -0.21 118.68 128.40 2f8b s LEU 13 Ca 0.24 1.93 0.00 0.00 0.69 0.00 0.00 54.13 56.99 2f8b s LEU 13 Cb -0.16 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.08 2f8b s LEU 13 CO 0.12 -1.35 0.00 0.00 -0.29 0.00 0.00 176.35 174.83 2f8b s VAL 15 N -1.20 2.61 0.17 0.00 -7.23 -1.26 -0.93 120.40 112.56 2f8b s VAL 15 Ca 0.00 -2.17 -0.31 0.00 -1.81 0.00 0.00 61.98 57.68 2f8b s VAL 15 Cb 0.00 -2.33 -0.10 0.00 0.56 0.00 0.00 36.38 34.51 2f8b s VAL 15 CO 0.00 -0.28 1.52 0.00 -0.31 0.00 0.00 175.10 176.02 2f8b n LYS 18 N -4.59 2.80 0.06 0.00 2.85 -1.26 -4.58 118.16 113.43 2f8b n LYS 18 Ca 0.24 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.61 2f8b n LYS 18 Cb 0.84 -0.77 0.01 0.00 -0.65 0.00 0.00 35.03 34.46 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 -2.33 -3.56 -4.72 0.00 2.03 0.13 -4.93 116.55 103.16 2f8b n ASP 20 Ca 0.01 -0.28 -0.32 0.00 0.52 0.00 0.00 54.79 54.72 2f8b n ASP 20 Cb 0.50 -2.97 -0.08 0.00 -0.72 0.00 0.00 41.12 37.85 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 -2.60 1.94 -0.16 0.27 0.00 -1.26 -4.79 107.32 100.74 2f8b s GLY 21 Ca 0.33 -0.99 -0.29 0.00 0.00 0.00 0.00 44.72 43.77 2f8b s GLY 21 CO 0.41 -0.91 2.16 -2.13 0.00 0.00 0.00 173.10 172.62 2f8b n ARG 22 N 0.94 2.17 -4.16 2.90 0.00 -1.26 -0.24 116.66 117.01 2f8b n ARG 22 Ca -0.12 0.66 -0.34 0.00 -0.00 0.00 0.00 57.85 58.05 2f8b n ARG 22 Cb 0.52 -3.15 -0.14 0.00 0.00 0.00 0.00 32.46 29.69 2f8b n ARG 22 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2f8b s ILE 23 N 7.25 3.18 -1.11 5.15 1.01 -0.11 -4.89 121.20 131.68 2f8b s ILE 23 Ca 0.98 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 60.84 2f8b s ILE 23 Cb -0.38 -2.41 0.05 0.00 0.01 0.00 0.00 42.46 39.73 2f8b s ILE 23 CO 0.38 0.46 1.56 -0.70 0.00 0.00 0.00 174.94 176.64 2f8b s GLU 24 N 1.14 3.69 -0.66 2.79 2.12 -1.26 -0.22 118.70 126.30 2f8b s GLU 24 Ca 0.01 -1.39 -0.26 0.00 0.36 0.00 0.00 54.97 53.69 2f8b s GLU 24 Cb -0.14 -5.41 -0.07 0.00 0.26 0.00 0.00 34.13 28.76 2f8b s GLU 24 CO -0.02 -2.26 2.20 -0.51 -0.54 0.00 0.00 175.26 174.13 2f8b s LEU 25 N 4.88 3.21 -1.00 2.70 1.43 0.71 -4.77 118.68 125.83 2f8b s LEU 25 Ca 0.49 0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 53.78 2f8b s LEU 25 Cb 0.01 -2.53 0.14 0.00 0.03 0.00 0.00 46.19 43.84 2f8b s LEU 25 CO -0.04 -2.99 1.21 -0.89 0.23 0.00 0.00 176.35 173.87 2f8b s THR 26 N 11.75 4.82 -0.00 5.49 2.01 -1.26 -0.98 115.64 137.47 2f8b s THR 26 Ca 0.84 -1.87 0.01 0.00 0.31 0.00 0.00 61.69 60.98 2f8b s THR 26 Cb -0.13 -4.81 -0.04 0.00 0.01 0.00 0.00 72.50 67.53 2f8b s THR 26 CO 0.16 -1.53 0.04 0.68 -0.69 0.00 0.00 174.62 173.27 2f8b s VAL 27 N 2.37 4.41 -0.38 3.82 -7.23 -0.32 -4.91 120.40 118.15 2f8b s VAL 27 Ca 0.35 -0.52 -0.04 0.00 -1.81 0.00 0.00 61.98 59.96 2f8b s VAL 27 Cb -0.04 -2.99 0.09 0.00 0.56 0.00 0.00 36.38 33.99 2f8b s VAL 27 CO -0.07 0.36 0.17 -0.70 -0.31 0.00 0.00 175.10 174.55 2f8b s GLU 28 N -1.64 2.27 -0.20 4.82 2.12 -1.26 -0.90 118.70 123.91 2f8b s GLU 28 Ca 0.21 -1.58 -0.23 0.00 0.36 0.00 0.00 54.97 53.73 2f8b s GLU 28 Cb -0.12 -3.54 0.06 0.00 0.26 0.00 0.00 34.13 30.80 2f8b s GLU 28 CO 0.12 -0.93 0.63 -1.12 -0.54 0.00 0.00 175.26 173.42 2f8b s SER 29 N 1.75 -0.64 0.50 -1.70 0.01 0.12 -4.86 113.70 108.87 2f8b s SER 29 Ca 0.04 1.13 -0.22 0.00 1.31 0.00 0.00 55.95 58.21 2f8b s SER 29 Cb -0.22 1.12 -0.06 0.00 0.21 0.00 0.00 66.02 67.07 2f8b s SER 29 CO -0.02 -0.30 1.20 -0.44 0.41 0.00 0.00 173.24 174.10 2f8b s SER 30 N 0.00 5.86 0.46 2.44 0.01 -1.26 -3.99 113.70 117.23 2f8b s SER 30 Ca -0.02 2.38 0.17 0.00 1.31 0.00 0.00 55.95 59.78 2f8b s SER 30 Cb -0.04 -2.61 1.13 0.00 0.21 0.00 0.00 66.02 64.72 2f8b s SER 30 CO 0.03 -1.13 2.00 0.00 0.41 0.00 0.00 173.24 174.54 2f8b h ALA 31 N 1.73 2.12 0.00 1.44 0.00 -1.98 0.28 119.26 122.85 2f8b h ALA 31 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2f8b h ALA 31 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2f8b h ALA 31 CO 0.59 -0.25 -1.58 -1.91 0.00 0.00 0.00 179.25 176.10 2f8b n GLU 32 N -4.46 0.58 -0.19 0.00 2.13 -1.26 -1.39 120.64 116.04 2f8b n GLU 32 Ca 0.09 -0.12 -0.09 0.00 0.66 0.00 0.00 57.16 57.69 2f8b n GLU 32 Cb 0.40 -1.46 0.01 0.00 0.27 0.00 0.00 31.44 30.66 2f8b n GLU 32 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2f8b h ASP 33 N 0.00 0.92 0.16 4.31 3.58 -1.71 0.13 116.42 123.82 2f8b h ASP 33 Ca 0.00 -0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.15 2f8b h ASP 33 Cb 0.77 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2f8b h ASP 33 CO 0.00 0.98 -0.08 0.25 -2.88 0.00 0.00 179.24 177.51 2f8b h LEU 34 N 0.83 -0.18 -0.48 2.28 6.46 -0.52 -1.52 115.31 122.17 2f8b h LEU 34 Ca 0.16 -0.05 0.09 0.00 -0.12 0.00 0.00 57.88 57.97 2f8b h LEU 34 Cb 0.49 0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 40.39 2f8b h LEU 34 CO 0.02 -0.07 0.01 -0.09 -0.62 0.00 0.00 178.44 177.69 2f8b h ARG 35 N -0.28 0.12 -0.04 1.25 2.43 -1.16 0.43 114.38 117.12 2f8b h ARG 35 Ca -0.02 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2f8b h ARG 35 Cb 0.22 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2f8b h ARG 35 CO 0.04 0.08 -0.08 1.15 -1.51 0.00 0.00 179.97 179.65 2f8b h THR 36 N 0.12 0.79 -0.93 0.20 2.02 -0.77 0.15 112.91 114.49 2f8b h THR 36 Ca 0.24 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.61 2f8b h THR 36 Cb 0.36 0.79 -0.11 0.00 -1.74 0.00 0.00 68.15 67.45 2f8b h THR 36 CO -0.40 0.00 0.51 0.25 0.37 0.00 0.00 175.52 176.26 2f8b h LEU 37 N -0.12 0.61 -0.83 2.58 5.85 -0.26 -0.72 115.31 122.42 2f8b h LEU 37 Ca 0.04 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 2f8b h LEU 37 Cb 0.17 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2f8b h LEU 37 CO -0.11 0.20 -0.53 -0.61 -0.34 0.00 0.00 178.44 177.05 2f8b h GLN 38 N 0.64 0.14 -0.16 1.25 4.15 0.11 -1.22 115.11 120.03 2f8b h GLN 38 Ca 0.54 -0.08 -0.12 0.00 0.77 0.00 0.00 58.65 59.75 2f8b h GLN 38 Cb 0.86 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 2f8b h GLN 38 CO -0.41 0.64 -0.43 1.96 -1.93 0.00 0.00 178.83 178.66 2f8b h GLN 39 N 0.11 0.37 -0.12 1.69 1.08 0.66 0.17 115.11 119.07 2f8b h GLN 39 Ca 0.00 -0.19 0.02 0.00 -1.45 0.00 0.00 58.65 57.03 2f8b h GLN 39 Cb 0.97 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.39 2f8b h GLN 39 CO 0.08 0.74 0.00 -0.07 -0.95 0.00 0.00 178.83 178.63 2f8b h LEU 40 N 0.30 -0.04 -0.80 1.46 3.38 -0.61 0.14 115.31 119.15 2f8b h LEU 40 Ca 0.02 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2f8b h LEU 40 Cb 0.88 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 2f8b h LEU 40 CO 0.07 0.00 0.51 -0.26 0.09 0.00 0.00 178.44 178.85 2f8b h PHE 41 N 0.05 0.95 -0.54 1.13 -1.00 -0.79 0.27 116.94 117.01 2f8b h PHE 41 Ca 0.05 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 2f8b h PHE 41 Cb 0.06 -0.31 -0.03 0.00 3.61 0.00 0.00 35.95 39.28 2f8b h PHE 41 CO -0.13 0.54 0.30 1.25 -1.61 0.00 0.00 178.31 178.65 2f8b h LEU 42 N 0.99 0.66 0.00 1.54 6.46 -0.46 -3.24 115.31 121.25 2f8b h LEU 42 Ca 0.32 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.99 2f8b h LEU 42 Cb 0.03 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 2f8b h LEU 42 CO -0.12 0.53 -0.45 -1.28 -0.62 0.00 0.00 178.44 176.50 2f8b h SER 43 N 0.75 0.00 0.00 1.25 0.87 0.12 -3.47 113.55 113.07 2f8b h SER 43 Ca 0.19 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2f8b h SER 43 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2f8b h SER 43 CO -0.03 0.90 0.00 0.35 -0.53 0.00 0.00 176.83 177.52 2f8b n THR 44 N -4.62 0.00 -4.34 2.23 -2.24 0.84 -5.09 114.28 101.07 2f8b n THR 44 Ca -0.12 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.42 2f8b n THR 44 Cb 0.33 0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 68.56 2f8b n THR 44 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2f8b s LEU 45 N 0.00 2.98 0.33 3.22 1.02 -0.59 -4.98 118.68 120.67 2f8b s LEU 45 Ca 0.00 -0.96 -0.18 0.00 0.02 0.00 0.00 54.13 53.01 2f8b s LEU 45 Cb 0.00 -1.38 0.03 0.00 0.02 0.00 0.00 46.19 44.87 2f8b s LEU 45 CO 0.00 -0.20 0.74 -0.44 0.02 0.00 0.00 176.35 176.46 2f8b s SER 46 N -3.70 -0.10 0.17 2.29 0.01 -1.26 -4.49 113.70 106.61 2f8b s SER 46 Ca 0.34 -0.89 0.10 0.00 1.31 0.00 0.00 55.95 56.81 2f8b s SER 46 Cb -0.01 0.78 -0.04 0.00 0.21 0.00 0.00 66.02 66.96 2f8b s SER 46 CO 0.19 -1.50 -0.21 0.12 0.41 0.00 0.00 173.24 172.26 2f8b s PHE 47 N -3.17 2.41 -0.30 2.43 2.19 -1.26 -5.00 117.98 115.29 2f8b s PHE 47 Ca 0.14 -0.32 -0.02 0.00 0.33 0.00 0.00 56.93 57.06 2f8b s PHE 47 Cb -0.05 -1.23 0.10 0.00 -1.31 0.00 0.00 43.02 40.53 2f8b s PHE 47 CO 0.09 0.45 0.11 0.08 1.83 0.00 0.00 175.22 177.79 2f8b s VAL 48 N -1.47 0.39 0.83 3.12 1.01 -1.26 -1.29 120.40 121.72 2f8b s VAL 48 Ca 0.20 -1.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 2f8b s VAL 48 Cb -0.09 -1.30 0.08 0.00 0.00 0.00 0.00 36.38 35.07 2f8b s VAL 48 CO 0.10 -0.69 1.09 0.00 0.00 0.00 0.00 175.10 175.60 2f8b h PRO 50 N -1.06 0.00 0.31 0.00 0.13 -2.00 0.22 132.00 129.60 2f8b h PRO 50 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2f8b h PRO 50 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2f8b h PRO 50 CO 0.44 0.00 -0.16 2.35 -0.23 0.00 0.00 178.00 180.40 2f8b h TRP 51 N 0.00 -0.42 0.00 1.56 7.01 -1.99 -0.97 115.95 121.15 2f8b h TRP 51 Ca 0.06 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.01 2f8b h TRP 51 Cb 0.27 0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 2f8b h TRP 51 CO 0.00 -0.25 -0.20 0.00 -2.79 0.00 0.00 178.44 175.20 2f8b h ALA 53 N 1.80 1.69 0.05 0.00 0.00 -0.46 0.39 119.26 122.74 2f8b h ALA 53 Ca -0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2f8b h ALA 53 Cb 0.40 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2f8b h ALA 53 CO 0.03 0.27 -0.44 1.15 0.00 0.00 0.00 179.25 180.26 2f8b h THR 54 N 0.50 1.59 0.00 0.00 2.02 -0.26 -3.40 112.91 113.36 2f8b h THR 54 Ca 0.13 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 65.02 2f8b h THR 54 Cb -0.01 3.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 2f8b h THR 54 CO -0.02 0.63 -1.22 0.59 0.37 0.00 0.00 175.52 175.87 2f8b n ASN 55 N -4.36 0.63 0.00 4.18 5.03 0.34 -5.10 115.26 115.99 2f8b n ASN 55 Ca -0.11 0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.53 2f8b n ASN 55 Cb 0.64 0.82 0.00 0.00 -1.02 0.00 0.00 39.78 40.22 2f8b n ASN 55 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10