#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 -2.50 -4.18 1.61 2.88 -1.26 -4.35 113.62 105.83 2f8b n SER 2 Ca 0.00 -1.09 -0.30 0.00 -1.33 0.00 0.00 58.87 56.15 2f8b n SER 2 Cb 0.00 -0.98 -0.06 0.00 -0.75 0.00 0.00 64.21 62.42 2f8b n SER 2 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2f8b n HIS 3 N -5.00 -1.44 -3.69 0.66 -0.00 -1.26 -4.97 115.22 99.52 2f8b n HIS 3 Ca 0.14 0.68 -0.15 0.00 -0.00 0.00 0.00 57.72 58.40 2f8b n HIS 3 Cb 0.58 -3.14 -0.08 0.00 -0.00 0.00 0.00 29.99 27.35 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 -7.01 0.79 -1.47 -0.41 1.75 -1.26 -4.98 119.30 106.71 2f8b s MET 4 Ca 0.10 -0.06 0.00 0.00 -1.25 0.00 0.00 55.69 54.48 2f8b s MET 4 Cb -0.05 0.36 0.00 0.00 2.84 0.00 0.00 34.83 37.97 2f8b s MET 4 CO 0.95 -0.23 0.00 0.00 -0.65 0.00 0.00 175.02 175.09 2f8b n ALA 5 N 1.15 -0.36 -2.35 4.11 0.00 -1.26 -4.93 120.51 116.87 2f8b n ALA 5 Ca -0.21 0.18 -0.26 0.00 0.00 0.00 0.00 53.44 53.15 2f8b n ALA 5 Cb 0.56 -1.71 -0.00 0.00 0.00 0.00 0.00 19.45 18.30 2f8b n ALA 5 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2f8b s GLU 6 N -4.12 3.48 1.06 0.00 8.01 -1.26 -5.09 118.70 120.78 2f8b s GLU 6 Ca 0.00 0.04 -0.13 0.00 0.01 0.00 0.00 54.97 54.89 2f8b s GLU 6 Cb 0.00 -2.44 0.23 0.00 -4.31 0.00 0.00 34.13 27.60 2f8b s GLU 6 CO 0.00 -0.15 1.07 -1.25 0.01 0.00 0.00 175.26 174.94 2f8b s PRO 7 N -4.65 -0.10 0.00 0.39 0.04 -1.26 -4.02 135.00 125.40 2f8b s PRO 7 Ca 0.46 0.56 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2f8b s PRO 7 Cb -0.10 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2f8b s PRO 7 CO 0.43 -3.10 0.00 1.04 0.04 0.00 0.00 177.00 175.40 2f8b n GLN 8 N -4.44 0.00 -1.56 4.56 3.00 -1.26 -4.82 117.38 112.86 2f8b n GLN 8 Ca 0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.90 2f8b n GLN 8 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.71 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 0.31 -4.54 -1.09 0.63 -1.26 -0.16 116.66 110.56 2f8b n ARG 9 Ca 0.00 -1.23 -0.26 0.00 -0.92 0.00 0.00 57.85 55.44 2f8b n ARG 9 Cb 0.00 -3.71 -0.11 0.00 0.45 0.00 0.00 32.46 29.09 2f8b n ARG 9 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2f8b s HIS 10 N 15.56 2.35 -0.31 -0.14 3.76 -0.58 -4.68 115.29 131.25 2f8b s HIS 10 Ca 0.87 -0.56 -0.02 0.00 -0.15 0.00 0.00 55.06 55.20 2f8b s HIS 10 Cb -0.10 -1.40 0.11 0.00 1.11 0.00 0.00 32.58 32.30 2f8b s HIS 10 CO 0.14 0.52 0.14 0.15 -0.85 0.00 0.00 174.74 174.84 2f8b s LYS 11 N -3.64 0.45 -0.80 1.40 3.01 -1.26 -1.00 119.74 117.90 2f8b s LYS 11 Ca 0.33 -0.90 -0.24 0.00 -1.01 0.00 0.00 55.97 54.15 2f8b s LYS 11 Cb 0.04 -1.47 0.06 0.00 -1.01 0.00 0.00 37.83 35.45 2f8b s LYS 11 CO 0.16 -1.05 1.21 0.42 0.51 0.00 0.00 175.35 176.60 2f8b s ILE 12 N 1.69 4.06 -0.19 2.17 1.01 0.18 -4.79 121.20 125.33 2f8b s ILE 12 Ca 0.11 -0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.16 2f8b s ILE 12 Cb -0.18 -4.87 -0.04 0.00 0.01 0.00 0.00 42.46 37.38 2f8b s ILE 12 CO -0.25 -1.72 1.91 -0.22 0.00 0.00 0.00 174.94 174.66 2f8b s LEU 13 N 4.71 3.77 0.00 2.97 0.20 -1.26 -0.54 118.68 128.54 2f8b s LEU 13 Ca 0.33 1.85 0.00 0.00 0.69 0.00 0.00 54.13 57.00 2f8b s LEU 13 Cb -0.08 -3.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.15 2f8b s LEU 13 CO 0.05 -1.54 0.00 0.00 -0.29 0.00 0.00 176.35 174.57 2f8b s VAL 15 N -1.07 2.28 0.05 0.00 -7.23 -1.26 -0.79 120.40 112.38 2f8b s VAL 15 Ca 0.00 -2.14 -0.31 0.00 -1.81 0.00 0.00 61.98 57.73 2f8b s VAL 15 Cb 0.00 -2.13 -0.07 0.00 0.56 0.00 0.00 36.38 34.73 2f8b s VAL 15 CO 0.00 -0.25 1.57 0.00 -0.31 0.00 0.00 175.10 176.10 2f8b n LYS 18 N -4.59 4.74 -0.00 0.00 2.85 -1.26 -4.56 118.16 115.34 2f8b n LYS 18 Ca 0.25 -0.01 0.09 0.00 -1.05 0.00 0.00 58.31 57.59 2f8b n LYS 18 Cb 0.91 -0.78 -0.12 0.00 -0.65 0.00 0.00 35.03 34.39 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 -1.78 -3.27 -4.88 0.00 2.03 0.62 -4.92 116.55 104.34 2f8b n ASP 20 Ca -0.00 0.25 -0.35 0.00 0.52 0.00 0.00 54.79 55.21 2f8b n ASP 20 Cb 0.38 -2.84 -0.05 0.00 -0.72 0.00 0.00 41.12 37.88 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 -2.01 2.26 -0.10 0.27 0.00 -1.26 -4.74 107.32 101.74 2f8b s GLY 21 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 44.72 43.87 2f8b s GLY 21 CO 0.00 -0.34 1.96 -1.60 0.00 0.00 0.00 173.10 173.12 2f8b s ARG 22 N -1.58 3.75 -0.19 2.90 3.00 -1.26 -0.25 118.95 125.31 2f8b s ARG 22 Ca 0.25 2.22 0.00 0.00 -1.00 0.00 0.00 55.73 57.20 2f8b s ARG 22 Cb -0.13 -4.19 0.02 0.00 0.00 0.00 0.00 34.95 30.64 2f8b s ARG 22 CO 0.14 -1.38 -0.17 0.42 0.00 0.00 0.00 175.30 174.31 2f8b s ILE 23 N 5.81 2.29 -1.10 4.11 1.01 0.03 -4.91 121.20 128.44 2f8b s ILE 23 Ca 0.88 -0.93 -0.19 0.00 0.00 0.00 0.00 60.65 60.41 2f8b s ILE 23 Cb -0.36 -2.01 0.10 0.00 0.01 0.00 0.00 42.46 40.20 2f8b s ILE 23 CO 0.36 0.47 1.44 -0.70 0.00 0.00 0.00 174.94 176.51 2f8b s GLU 24 N 1.31 3.78 -0.67 2.79 2.12 -1.26 -0.31 118.70 126.45 2f8b s GLU 24 Ca 0.04 -1.76 -0.26 0.00 0.36 0.00 0.00 54.97 53.35 2f8b s GLU 24 Cb -0.14 -5.24 -0.03 0.00 0.26 0.00 0.00 34.13 28.98 2f8b s GLU 24 CO -0.11 -2.03 1.93 -0.51 -0.54 0.00 0.00 175.26 174.00 2f8b s LEU 25 N 3.61 3.26 -0.51 2.70 1.43 0.30 -4.80 118.68 124.67 2f8b s LEU 25 Ca 0.44 0.15 -0.27 0.00 -1.03 0.00 0.00 54.13 53.42 2f8b s LEU 25 Cb -0.01 -2.53 0.03 0.00 0.03 0.00 0.00 46.19 43.71 2f8b s LEU 25 CO -0.04 -2.54 1.06 -0.89 0.23 0.00 0.00 176.35 174.17 2f8b s THR 26 N 9.68 4.26 -0.14 5.49 2.01 -1.26 -0.64 115.64 135.04 2f8b s THR 26 Ca 0.71 0.85 0.00 0.00 0.31 0.00 0.00 61.69 63.56 2f8b s THR 26 Cb -0.12 -4.58 0.02 0.00 0.01 0.00 0.00 72.50 67.84 2f8b s THR 26 CO 0.16 -1.07 -0.14 0.68 -0.69 0.00 0.00 174.62 173.57 2f8b s VAL 27 N 4.30 1.51 -0.85 3.82 -7.23 -0.17 -4.98 120.40 116.81 2f8b s VAL 27 Ca 0.41 -0.60 -0.25 0.00 -1.81 0.00 0.00 61.98 59.73 2f8b s VAL 27 Cb -0.09 -1.42 0.03 0.00 0.56 0.00 0.00 36.38 35.46 2f8b s VAL 27 CO 0.27 0.45 1.47 -1.61 -0.31 0.00 0.00 175.10 175.36 2f8b s GLU 28 N 1.47 3.22 0.09 4.82 2.02 -1.26 -1.52 118.70 127.55 2f8b s GLU 28 Ca 0.04 -0.49 -0.18 0.00 0.02 0.00 0.00 54.97 54.36 2f8b s GLU 28 Cb -0.13 -4.73 0.04 0.00 0.10 0.00 0.00 34.13 29.41 2f8b s GLU 28 CO -0.10 -2.35 0.44 0.45 0.02 0.00 0.00 175.26 173.73 2f8b s SER 29 N 5.06 -0.31 0.57 -0.19 0.15 0.78 -4.82 113.70 114.94 2f8b s SER 29 Ca 0.46 -0.12 -0.19 0.00 0.70 0.00 0.00 55.95 56.80 2f8b s SER 29 Cb -0.05 0.47 -0.06 0.00 -1.71 0.00 0.00 66.02 64.67 2f8b s SER 29 CO 0.05 -0.79 0.95 -1.20 1.20 0.00 0.00 173.24 173.45 2f8b n SER 30 N 0.07 0.79 -0.25 5.45 7.64 -1.26 -4.22 113.62 121.84 2f8b n SER 30 Ca -0.17 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.55 2f8b n SER 30 Cb 0.62 -1.38 0.13 0.00 -1.01 0.00 0.00 64.21 62.57 2f8b n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2f8b h ALA 31 N 0.66 0.98 0.00 -0.43 0.00 -1.99 0.73 119.26 119.22 2f8b h ALA 31 Ca -0.48 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2f8b h ALA 31 Cb 1.36 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2f8b h ALA 31 CO 0.52 0.02 -0.27 0.93 0.00 0.00 0.00 179.25 180.44 2f8b h GLU 32 N 0.67 0.00 -0.19 0.00 4.39 -1.97 0.12 114.58 117.60 2f8b h GLU 32 Ca 0.34 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.99 2f8b h GLU 32 Cb 0.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2f8b h GLU 32 CO -0.23 0.05 -0.05 0.22 -1.16 0.00 0.00 179.01 177.84 2f8b h ASP 33 N 0.00 0.38 -0.73 1.42 1.82 -1.68 0.14 116.42 117.78 2f8b h ASP 33 Ca -0.00 -0.37 0.04 0.00 -0.39 0.00 0.00 57.03 56.31 2f8b h ASP 33 Cb 1.05 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 40.91 2f8b h ASP 33 CO 0.01 0.67 0.48 0.25 -1.61 0.00 0.00 179.24 179.03 2f8b h LEU 34 N 0.10 0.74 -0.10 2.28 6.46 -0.65 -0.96 115.31 123.18 2f8b h LEU 34 Ca 0.05 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.68 2f8b h LEU 34 Cb 0.50 -0.17 0.01 0.00 -0.73 0.00 0.00 40.66 40.27 2f8b h LEU 34 CO 0.02 0.50 -0.43 -0.09 -0.62 0.00 0.00 178.44 177.82 2f8b h ARG 35 N 0.85 0.46 -0.48 1.25 2.43 -0.85 0.31 114.38 118.36 2f8b h ARG 35 Ca 0.30 -0.36 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2f8b h ARG 35 Cb 0.11 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 2f8b h ARG 35 CO -0.09 1.00 0.21 1.15 -1.51 0.00 0.00 179.97 180.73 2f8b h THR 36 N 0.03 0.92 -0.76 0.20 2.02 -0.31 0.27 112.91 115.27 2f8b h THR 36 Ca -0.03 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.04 2f8b h THR 36 Cb 1.07 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 2f8b h THR 36 CO 0.09 0.08 0.50 0.25 0.37 0.00 0.00 175.52 176.81 2f8b h LEU 37 N 0.42 0.80 -1.29 2.58 5.85 -1.03 -0.53 115.31 122.12 2f8b h LEU 37 Ca 0.22 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 2f8b h LEU 37 Cb 0.16 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2f8b h LEU 37 CO -0.18 0.55 -0.04 -0.61 -0.34 0.00 0.00 178.44 177.82 2f8b h GLN 38 N 0.93 0.43 -0.00 1.25 4.15 0.91 -0.46 115.11 122.32 2f8b h GLN 38 Ca 0.30 -0.09 -0.12 0.00 0.77 0.00 0.00 58.65 59.51 2f8b h GLN 38 Cb 0.05 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 2f8b h GLN 38 CO -0.09 0.49 -0.54 1.96 -1.93 0.00 0.00 178.83 178.72 2f8b h GLN 39 N 0.41 0.01 -0.19 1.69 1.08 0.49 -1.52 115.11 117.08 2f8b h GLN 39 Ca 0.09 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.22 2f8b h GLN 39 Cb 0.34 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 2f8b h GLN 39 CO 0.01 0.55 -0.16 -0.07 -0.95 0.00 0.00 178.83 178.22 2f8b h LEU 40 N 0.01 0.31 -0.12 1.46 3.38 0.18 0.20 115.31 120.72 2f8b h LEU 40 Ca -0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2f8b h LEU 40 Cb 0.96 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2f8b h LEU 40 CO 0.07 0.49 0.05 -0.26 0.09 0.00 0.00 178.44 178.88 2f8b h PHE 41 N 0.30 0.18 0.00 1.13 0.04 -0.68 0.85 116.94 118.76 2f8b h PHE 41 Ca 0.06 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 2f8b h PHE 41 Cb 0.46 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 2f8b h PHE 41 CO 0.01 0.26 -0.10 -0.07 -0.60 0.00 0.00 178.31 177.81 2f8b h LEU 42 N 0.05 0.00 0.00 1.54 3.38 -0.83 -3.17 115.31 116.29 2f8b h LEU 42 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2f8b h LEU 42 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2f8b h LEU 42 CO -0.00 0.10 0.00 -0.24 0.09 0.00 0.00 178.44 178.39 2f8b n SER 43 N -3.67 0.00 0.00 -0.43 2.88 0.67 -4.95 113.62 108.12 2f8b n SER 43 Ca -0.02 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2f8b n SER 43 Cb 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -0.32 0.00 -2.41 2.46 -2.24 -0.45 -5.08 114.28 106.24 2f8b n THR 44 Ca 0.00 -0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 2f8b n THR 44 Cb 0.00 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 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 -0.02 4.19 0.16 3.22 0.20 0.16 -4.96 118.68 121.63 2f8b s LEU 45 Ca 0.00 2.20 -0.09 0.00 0.69 0.00 0.00 54.13 56.94 2f8b s LEU 45 Cb 0.00 -4.07 -0.01 0.00 -0.43 0.00 0.00 46.19 41.68 2f8b s LEU 45 CO 0.00 -0.57 0.27 -0.44 -0.29 0.00 0.00 176.35 175.32 2f8b s SER 46 N -1.31 0.05 0.09 3.68 0.01 -1.26 -4.48 113.70 110.48 2f8b s SER 46 Ca 0.57 -0.86 0.05 0.00 1.31 0.00 0.00 55.95 57.02 2f8b s SER 46 Cb -0.27 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.34 2f8b s SER 46 CO 0.34 -0.87 -0.03 0.12 0.41 0.00 0.00 173.24 173.20 2f8b s PHE 47 N -3.96 2.92 -0.25 2.43 2.19 -1.26 -4.94 117.98 115.11 2f8b s PHE 47 Ca 0.16 -0.06 -0.04 0.00 0.33 0.00 0.00 56.93 57.32 2f8b s PHE 47 Cb 0.04 -1.51 0.09 0.00 -1.31 0.00 0.00 43.02 40.32 2f8b s PHE 47 CO -0.01 0.46 0.11 0.08 1.83 0.00 0.00 175.22 177.69 2f8b s VAL 48 N -1.28 0.06 0.42 3.12 1.01 -1.26 -1.19 120.40 121.27 2f8b s VAL 48 Ca 0.24 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 2f8b s VAL 48 Cb -0.12 -0.94 -0.10 0.00 0.00 0.00 0.00 36.38 35.23 2f8b s VAL 48 CO 0.17 -0.56 1.27 0.00 0.00 0.00 0.00 175.10 175.97 2f8b h PRO 50 N 2.08 0.00 0.37 0.00 0.13 -2.00 0.94 132.00 133.52 2f8b h PRO 50 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2f8b h PRO 50 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2f8b h PRO 50 CO 0.60 0.00 -0.28 2.35 -0.23 0.00 0.00 178.00 180.44 2f8b h TRP 51 N 0.00 -0.76 -0.04 1.56 7.01 -1.99 -1.21 115.95 120.52 2f8b h TRP 51 Ca 0.02 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.95 2f8b h TRP 51 Cb 0.10 0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 2f8b h TRP 51 CO 0.00 -0.40 -0.28 0.00 -2.79 0.00 0.00 178.44 174.98 2f8b h ALA 53 N 1.65 1.12 -0.00 0.00 0.00 -0.77 0.20 119.26 121.46 2f8b h ALA 53 Ca 0.01 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 2f8b h ALA 53 Cb 0.53 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2f8b h ALA 53 CO 0.04 0.58 -0.31 1.15 0.00 0.00 0.00 179.25 180.71 2f8b h THR 54 N 0.84 1.53 0.05 0.00 2.02 -0.92 -3.37 112.91 113.05 2f8b h THR 54 Ca 0.18 -1.97 -0.00 0.00 0.77 0.00 0.00 66.41 65.38 2f8b h THR 54 Cb 0.36 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2f8b h THR 54 CO 0.01 0.55 -0.02 0.78 0.37 0.00 0.00 175.52 177.20 2f8b h ASN 55 N -0.43 -0.05 0.00 4.18 2.35 -1.08 -3.51 115.58 117.03 2f8b h ASN 55 Ca -0.04 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2f8b h ASN 55 Cb 1.06 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.44 2f8b h ASN 55 CO 0.06 0.37 0.00 1.67 -1.65 0.00 0.00 177.43 177.88