#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f8b s SER 2 N 0.00 4.50 0.00 1.61 0.01 -1.26 -4.62 113.70 113.94 2f8b s SER 2 Ca 0.00 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2f8b s SER 2 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2f8b s SER 2 CO 0.00 -3.30 0.22 1.41 0.41 0.00 0.00 173.24 171.97 2f8b n HIS 3 N 16.33 0.00 -2.01 2.43 -0.00 -1.26 -5.02 115.22 125.69 2f8b n HIS 3 Ca 0.43 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.72 2f8b n HIS 3 Cb 0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.42 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 -0.02 3.69 -0.10 -0.41 -2.45 -1.26 -4.97 119.30 113.77 2f8b s MET 4 Ca 0.00 1.74 -0.07 0.00 -1.25 0.00 0.00 55.69 56.11 2f8b s MET 4 Cb 0.00 -4.11 0.03 0.00 1.25 0.00 0.00 34.83 32.01 2f8b s MET 4 CO 0.00 -1.44 0.25 0.00 1.05 0.00 0.00 175.02 174.89 2f8b s ALA 5 N 5.72 -0.61 0.09 4.11 0.00 -1.26 -5.18 121.76 124.63 2f8b s ALA 5 Ca 0.77 0.83 0.02 0.00 0.00 0.00 0.00 51.96 53.58 2f8b s ALA 5 Cb -0.27 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 2f8b s ALA 5 CO 0.32 -0.15 -0.06 -1.21 0.00 0.00 0.00 175.76 174.65 2f8b s GLU 6 N 0.57 0.79 -1.29 0.00 0.41 -1.26 -5.04 118.70 112.88 2f8b s GLU 6 Ca -0.04 -1.28 -0.08 0.00 -0.41 0.00 0.00 54.97 53.17 2f8b s GLU 6 Cb -0.05 -0.17 -0.07 0.00 -1.78 0.00 0.00 34.13 32.06 2f8b s GLU 6 CO -0.03 -0.02 2.55 -0.35 -0.49 0.00 0.00 175.26 176.92 2f8b n PRO 7 N 0.09 2.92 0.00 0.39 -0.04 -1.26 -3.88 135.00 133.22 2f8b n PRO 7 Ca -0.13 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.47 2f8b n PRO 7 Cb 0.60 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 2f8b n PRO 7 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2f8b n GLN 8 N 3.94 0.00 -1.56 0.54 -0.06 -1.26 -4.15 117.38 114.83 2f8b n GLN 8 Ca 0.62 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 55.49 2f8b n GLN 8 Cb 0.19 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.29 2f8b n GLN 8 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2f8b n ARG 9 N -2.11 0.52 -4.54 3.69 0.00 -1.25 0.16 116.66 113.13 2f8b n ARG 9 Ca 0.00 -0.79 -0.26 0.00 -0.00 0.00 0.00 57.85 56.80 2f8b n ARG 9 Cb 0.00 -3.51 -0.11 0.00 0.00 0.00 0.00 32.46 28.84 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 13.83 2.36 -0.32 -0.14 3.76 -0.47 -4.98 115.29 129.33 2f8b s HIS 10 Ca 0.96 -0.55 -0.02 0.00 -0.15 0.00 0.00 55.06 55.30 2f8b s HIS 10 Cb -0.18 -1.39 0.11 0.00 1.11 0.00 0.00 32.58 32.22 2f8b s HIS 10 CO 0.12 0.53 0.15 0.15 -0.85 0.00 0.00 174.74 174.83 2f8b s LYS 11 N -3.64 0.54 -0.65 1.40 3.01 -1.26 -1.15 119.74 117.99 2f8b s LYS 11 Ca 0.32 -1.01 -0.24 0.00 -1.01 0.00 0.00 55.97 54.03 2f8b s LYS 11 Cb 0.04 -1.57 0.05 0.00 -1.01 0.00 0.00 37.83 35.34 2f8b s LYS 11 CO 0.16 -1.06 1.03 0.42 0.51 0.00 0.00 175.35 176.41 2f8b s ILE 12 N 1.56 4.21 -0.22 2.17 1.01 0.03 -4.79 121.20 125.16 2f8b s ILE 12 Ca 0.12 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.44 2f8b s ILE 12 Cb -0.19 -4.70 -0.03 0.00 0.01 0.00 0.00 42.46 37.55 2f8b s ILE 12 CO -0.22 -1.46 1.74 -0.22 0.00 0.00 0.00 174.94 174.78 2f8b s LEU 13 N 4.40 3.81 0.00 2.97 0.20 -1.26 -0.32 118.68 128.48 2f8b s LEU 13 Ca 0.27 1.66 0.01 0.00 0.69 0.00 0.00 54.13 56.77 2f8b s LEU 13 Cb -0.14 -3.53 -0.00 0.00 -0.43 0.00 0.00 46.19 42.09 2f8b s LEU 13 CO 0.13 -1.40 0.04 0.00 -0.29 0.00 0.00 176.35 174.83 2f8b s VAL 15 N -2.25 3.38 0.08 0.00 -7.23 -1.26 -0.72 120.40 112.40 2f8b s VAL 15 Ca 0.06 -1.85 -0.31 0.00 -1.81 0.00 0.00 61.98 58.07 2f8b s VAL 15 Cb 0.00 -2.77 -0.06 0.00 0.56 0.00 0.00 36.38 34.11 2f8b s VAL 15 CO 0.04 -0.30 1.28 0.00 -0.31 0.00 0.00 175.10 175.81 2f8b n LYS 18 N -4.48 1.89 -0.01 0.00 2.85 -1.26 -4.33 118.16 112.82 2f8b n LYS 18 Ca 0.10 -0.02 0.08 0.00 -1.05 0.00 0.00 58.31 57.43 2f8b n LYS 18 Cb 0.25 -1.22 -0.12 0.00 -0.65 0.00 0.00 35.03 33.28 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 -2.02 -3.16 -4.77 0.00 2.03 0.54 -4.96 116.55 104.20 2f8b n ASP 20 Ca -0.03 0.06 -0.33 0.00 0.52 0.00 0.00 54.79 55.02 2f8b n ASP 20 Cb 0.41 -2.70 -0.07 0.00 -0.72 0.00 0.00 41.12 38.05 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 -2.25 2.01 -0.14 0.27 0.00 -1.25 -4.79 107.32 101.17 2f8b s GLY 21 Ca 0.13 -0.88 -0.29 0.00 0.00 0.00 0.00 44.72 43.69 2f8b s GLY 21 CO 0.16 -0.75 2.09 -1.60 0.00 0.00 0.00 173.10 172.99 2f8b s ARG 22 N -1.73 3.51 -0.22 2.90 3.00 -1.26 -0.22 118.95 124.93 2f8b s ARG 22 Ca 0.23 2.18 -0.02 0.00 -1.00 0.00 0.00 55.73 57.12 2f8b s ARG 22 Cb -0.12 -4.28 0.01 0.00 0.00 0.00 0.00 34.95 30.56 2f8b s ARG 22 CO 0.14 -1.67 -0.08 0.42 0.00 0.00 0.00 175.30 174.11 2f8b s ILE 23 N 6.79 2.91 -1.01 4.11 1.01 0.10 -4.89 121.20 130.22 2f8b s ILE 23 Ca 0.94 -0.77 -0.23 0.00 0.00 0.00 0.00 60.65 60.59 2f8b s ILE 23 Cb -0.35 -2.36 0.03 0.00 0.01 0.00 0.00 42.46 39.79 2f8b s ILE 23 CO 0.37 0.37 1.55 -0.70 0.00 0.00 0.00 174.94 176.53 2f8b s GLU 24 N 1.38 3.42 -0.73 2.79 2.12 -1.26 -0.27 118.70 126.15 2f8b s GLU 24 Ca 0.04 -1.01 -0.26 0.00 0.36 0.00 0.00 54.97 54.10 2f8b s GLU 24 Cb -0.15 -5.32 -0.04 0.00 0.26 0.00 0.00 34.13 28.89 2f8b s GLU 24 CO -0.06 -2.43 1.96 -0.51 -0.54 0.00 0.00 175.26 173.68 2f8b s LEU 25 N 5.88 3.23 -0.69 2.70 1.43 0.56 -4.81 118.68 126.98 2f8b s LEU 25 Ca 0.51 -0.03 -0.27 0.00 -1.03 0.00 0.00 54.13 53.31 2f8b s LEU 25 Cb -0.01 -2.54 0.03 0.00 0.03 0.00 0.00 46.19 43.70 2f8b s LEU 25 CO -0.07 -2.63 1.25 -0.89 0.23 0.00 0.00 176.35 174.23 2f8b s THR 26 N 9.98 3.82 -0.07 5.49 2.01 -1.26 -0.79 115.64 134.82 2f8b s THR 26 Ca 0.72 0.53 0.04 0.00 0.31 0.00 0.00 61.69 63.30 2f8b s THR 26 Cb -0.11 -4.86 -0.01 0.00 0.01 0.00 0.00 72.50 67.54 2f8b s THR 26 CO 0.12 -1.70 -0.21 0.68 -0.69 0.00 0.00 174.62 172.82 2f8b s VAL 27 N 5.46 2.36 -0.88 3.82 -7.23 -0.30 -4.95 120.40 118.69 2f8b s VAL 27 Ca 0.37 -0.94 -0.14 0.00 -1.81 0.00 0.00 61.98 59.46 2f8b s VAL 27 Cb -0.08 -1.90 0.22 0.00 0.56 0.00 0.00 36.38 35.18 2f8b s VAL 27 CO 0.18 0.56 0.86 -0.70 -0.31 0.00 0.00 175.10 175.69 2f8b s GLU 28 N -0.09 3.70 -0.13 4.82 2.12 -1.26 -1.36 118.70 126.50 2f8b s GLU 28 Ca -0.05 -2.51 -0.07 0.00 0.36 0.00 0.00 54.97 52.70 2f8b s GLU 28 Cb -0.14 -4.50 0.05 0.00 0.26 0.00 0.00 34.13 29.80 2f8b s GLU 28 CO 0.04 -1.33 0.30 -1.12 -0.54 0.00 0.00 175.26 172.61 2f8b s SER 29 N 2.18 -0.35 0.47 -1.70 0.01 0.12 -4.82 113.70 109.62 2f8b s SER 29 Ca 0.21 0.64 -0.25 0.00 1.31 0.00 0.00 55.95 57.87 2f8b s SER 29 Cb -0.09 0.53 -0.08 0.00 0.21 0.00 0.00 66.02 66.59 2f8b s SER 29 CO -0.09 -0.17 1.42 -0.44 0.41 0.00 0.00 173.24 174.37 2f8b s SER 30 N 1.27 5.74 0.39 2.44 0.01 -1.26 -4.48 113.70 117.81 2f8b s SER 30 Ca -0.09 2.91 0.15 0.00 1.31 0.00 0.00 55.95 60.23 2f8b s SER 30 Cb -0.09 -2.65 1.01 0.00 0.21 0.00 0.00 66.02 64.50 2f8b s SER 30 CO -0.10 -1.27 1.82 0.00 0.41 0.00 0.00 173.24 174.11 2f8b h ALA 31 N 2.15 2.10 0.00 1.44 0.00 -1.92 0.41 119.26 123.44 2f8b h ALA 31 Ca -0.51 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2f8b h ALA 31 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2f8b h ALA 31 CO 0.60 -0.43 -1.36 -1.91 0.00 0.00 0.00 179.25 176.15 2f8b n GLU 32 N -4.58 0.28 -0.07 0.00 2.13 -1.26 -1.24 120.64 115.90 2f8b n GLU 32 Ca 0.21 -0.07 -0.14 0.00 0.66 0.00 0.00 57.16 57.82 2f8b n GLU 32 Cb 0.71 -1.52 -0.03 0.00 0.27 0.00 0.00 31.44 30.86 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 0.96 -0.33 4.31 1.82 -1.39 0.52 116.42 122.32 2f8b h ASP 33 Ca 0.00 -0.51 -0.00 0.00 -0.39 0.00 0.00 57.03 56.13 2f8b h ASP 33 Cb 0.72 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.44 2f8b h ASP 33 CO 0.00 1.31 0.19 0.25 -1.61 0.00 0.00 179.24 179.38 2f8b h LEU 34 N 0.66 0.40 -0.14 2.28 6.46 -0.29 0.80 115.31 125.48 2f8b h LEU 34 Ca 0.02 -0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.74 2f8b h LEU 34 Cb 1.15 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.94 2f8b h LEU 34 CO 0.12 0.35 -0.08 -0.09 -0.62 0.00 0.00 178.44 178.12 2f8b h ARG 35 N 0.42 -0.07 0.00 1.25 2.43 -1.11 0.30 114.38 117.60 2f8b h ARG 35 Ca 0.12 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2f8b h ARG 35 Cb 0.03 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2f8b h ARG 35 CO -0.02 -0.05 -0.15 1.15 -1.51 0.00 0.00 179.97 179.39 2f8b h THR 36 N -0.07 0.62 -0.02 0.20 2.02 -0.53 0.18 112.91 115.30 2f8b h THR 36 Ca 0.08 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 2f8b h THR 36 Cb 0.19 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2f8b h THR 36 CO -0.18 0.00 -0.14 0.17 0.37 0.00 0.00 175.52 175.73 2f8b h LEU 37 N -0.26 0.03 -0.99 2.58 8.10 -0.55 0.20 115.31 124.43 2f8b h LEU 37 Ca 0.05 -0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.94 2f8b h LEU 37 Cb 0.32 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.52 2f8b h LEU 37 CO -0.15 0.18 -0.44 -0.61 -4.11 0.00 0.00 178.44 173.31 2f8b h GLN 38 N 0.03 0.00 -0.31 0.17 4.15 0.53 -1.28 115.11 118.41 2f8b h GLN 38 Ca 0.01 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 2f8b h GLN 38 Cb 0.28 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 2f8b h GLN 38 CO 0.02 0.44 -0.28 1.96 -1.93 0.00 0.00 178.83 179.04 2f8b h GLN 39 N 0.00 0.63 -0.49 1.69 1.08 0.13 0.12 115.11 118.27 2f8b h GLN 39 Ca -0.00 -0.26 0.05 0.00 -1.45 0.00 0.00 58.65 56.98 2f8b h GLN 39 Cb 0.89 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 28.25 2f8b h GLN 39 CO 0.06 0.84 0.23 -0.07 -0.95 0.00 0.00 178.83 178.93 2f8b h LEU 40 N 0.54 0.31 -0.66 1.46 3.38 -0.67 0.98 115.31 120.64 2f8b h LEU 40 Ca 0.07 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2f8b h LEU 40 Cb 0.76 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2f8b h LEU 40 CO 0.06 0.21 0.43 -0.26 0.09 0.00 0.00 178.44 178.98 2f8b h PHE 41 N 0.44 0.84 0.00 1.13 -1.00 -0.55 0.24 116.94 118.04 2f8b h PHE 41 Ca 0.22 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.97 2f8b h PHE 41 Cb 0.16 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 2f8b h PHE 41 CO -0.12 0.53 -0.20 -0.07 -1.61 0.00 0.00 178.31 176.84 2f8b h LEU 42 N 0.90 0.00 0.00 1.54 3.38 -0.48 -3.19 115.31 117.46 2f8b h LEU 42 Ca 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 2f8b h LEU 42 Cb -0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2f8b h LEU 42 CO -0.05 0.20 -0.19 -1.28 0.09 0.00 0.00 178.44 177.21 2f8b h SER 43 N 0.00 0.00 0.00 -0.43 0.87 0.08 -3.47 113.55 110.60 2f8b h SER 43 Ca -0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2f8b h SER 43 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2f8b h SER 43 CO 0.03 0.73 0.00 0.35 -0.53 0.00 0.00 176.83 177.40 2f8b n THR 44 N -4.69 0.00 -3.89 2.23 -2.24 0.68 -5.09 114.28 101.28 2f8b n THR 44 Ca -0.06 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.43 2f8b n THR 44 Cb 0.20 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.45 4.33 0.27 3.22 1.02 -0.30 -4.97 118.68 121.79 2f8b s LEU 45 Ca 0.00 0.27 0.03 0.00 0.02 0.00 0.00 54.13 54.45 2f8b s LEU 45 Cb 0.00 -2.99 -0.04 0.00 0.02 0.00 0.00 46.19 43.18 2f8b s LEU 45 CO 0.00 0.10 0.18 -0.94 0.02 0.00 0.00 176.35 175.71 2f8b s SER 46 N -2.83 0.99 0.11 2.29 1.04 -1.26 -4.49 113.70 109.55 2f8b s SER 46 Ca 0.36 -1.54 0.06 0.00 0.48 0.00 0.00 55.95 55.30 2f8b s SER 46 Cb -0.12 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 2f8b s SER 46 CO 0.28 -0.91 -0.14 0.12 0.98 0.00 0.00 173.24 173.57 2f8b s PHE 47 N -3.80 1.37 -0.27 5.02 2.19 -1.26 -5.05 117.98 116.19 2f8b s PHE 47 Ca 0.39 -0.55 -0.04 0.00 0.33 0.00 0.00 56.93 57.07 2f8b s PHE 47 Cb 0.05 -0.72 0.09 0.00 -1.31 0.00 0.00 43.02 41.13 2f8b s PHE 47 CO 0.18 0.13 0.11 0.08 1.83 0.00 0.00 175.22 177.55 2f8b s VAL 48 N -2.03 0.13 0.51 3.12 1.01 -1.26 -1.87 120.40 120.02 2f8b s VAL 48 Ca 0.07 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 2f8b s VAL 48 Cb -0.06 -1.04 -0.07 0.00 0.00 0.00 0.00 36.38 35.22 2f8b s VAL 48 CO 0.03 -0.61 1.20 0.00 0.00 0.00 0.00 175.10 175.72 2f8b h PRO 50 N 1.38 0.00 0.63 0.00 0.13 -2.01 0.05 132.00 132.19 2f8b h PRO 50 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2f8b h PRO 50 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2f8b h PRO 50 CO 0.56 0.05 -0.37 2.35 -0.23 0.00 0.00 178.00 180.36 2f8b h TRP 51 N 0.00 -1.00 0.00 1.56 7.01 -1.99 -0.93 115.95 120.60 2f8b h TRP 51 Ca -0.00 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 2f8b h TRP 51 Cb 0.13 0.35 -0.00 0.00 -2.10 0.00 0.00 29.16 27.53 2f8b h TRP 51 CO 0.00 -0.56 -0.14 0.00 -2.79 0.00 0.00 178.44 174.94 2f8b h ALA 53 N 1.86 0.17 -0.50 0.00 0.00 -0.97 0.16 119.26 119.98 2f8b h ALA 53 Ca -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2f8b h ALA 53 Cb 0.55 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2f8b h ALA 53 CO 0.02 0.02 0.22 1.15 0.00 0.00 0.00 179.25 180.65 2f8b h THR 54 N -0.10 1.20 -0.17 0.00 2.02 -0.75 -3.20 112.91 111.91 2f8b h THR 54 Ca 0.02 -0.61 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 2f8b h THR 54 Cb 0.62 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2f8b h THR 54 CO 0.03 0.24 -0.30 0.78 0.37 0.00 0.00 175.52 176.63 2f8b h ASN 55 N 0.67 0.56 0.00 4.18 2.35 -1.23 -3.51 115.58 118.60 2f8b h ASN 55 Ca 0.17 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 2f8b h ASN 55 Cb 0.16 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2f8b h ASN 55 CO -0.02 0.99 0.00 1.67 -1.65 0.00 0.00 177.43 178.42