#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 2.77 -0.33 1.61 0.15 -1.26 -5.01 113.70 111.64 2f8b s SER 2 Ca 0.00 1.64 0.15 0.00 0.70 0.00 0.00 55.95 58.44 2f8b s SER 2 Cb 0.00 -2.29 0.43 0.00 -1.71 0.00 0.00 66.02 62.46 2f8b s SER 2 CO 0.00 -3.10 1.40 0.00 1.20 0.00 0.00 173.24 172.73 2f8b n HIS 3 N -4.20 -1.20 -4.24 3.44 -0.00 -1.26 -5.11 115.22 102.66 2f8b n HIS 3 Ca 0.07 -1.89 -0.23 0.00 -0.00 0.00 0.00 57.72 55.67 2f8b n HIS 3 Cb 0.54 1.06 -0.17 0.00 -0.00 0.00 0.00 29.99 31.43 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 -0.93 1.21 -0.29 -1.40 -2.45 -1.26 -5.10 119.30 109.07 2f8b s MET 4 Ca 0.16 -0.21 -0.03 0.00 -1.25 0.00 0.00 55.69 54.35 2f8b s MET 4 Cb 0.41 -1.15 0.19 0.00 1.25 0.00 0.00 34.83 35.53 2f8b s MET 4 CO -0.10 -0.09 0.83 0.00 1.05 0.00 0.00 175.02 176.72 2f8b s ALA 5 N 1.03 -3.27 0.12 4.11 0.00 -1.26 -5.18 121.76 117.31 2f8b s ALA 5 Ca -0.09 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.11 2f8b s ALA 5 Cb -0.14 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 2f8b s ALA 5 CO -0.00 -1.96 -0.01 -1.21 0.00 0.00 0.00 175.76 172.57 2f8b s GLU 6 N 2.90 0.89 1.26 0.00 8.01 -1.26 -5.16 118.70 125.34 2f8b s GLU 6 Ca 0.19 -1.40 -0.19 0.00 0.01 0.00 0.00 54.97 53.59 2f8b s GLU 6 Cb -0.06 -0.05 0.31 0.00 -4.31 0.00 0.00 34.13 30.02 2f8b s GLU 6 CO -0.24 -0.12 1.03 -1.25 0.01 0.00 0.00 175.26 174.69 2f8b s PRO 7 N -3.92 -1.67 0.00 0.39 0.04 -1.26 -4.20 135.00 124.38 2f8b s PRO 7 Ca 0.17 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.40 2f8b s PRO 7 Cb 0.06 -1.52 0.00 0.00 0.04 0.00 0.00 34.50 33.08 2f8b s PRO 7 CO -0.02 -4.06 0.00 1.04 0.04 0.00 0.00 177.00 174.00 2f8b n GLN 8 N -5.05 0.00 -1.46 4.56 3.00 -1.25 -4.80 117.38 112.39 2f8b n GLN 8 Ca 0.11 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.98 2f8b n GLN 8 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.73 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 0.18 -4.52 -1.09 0.00 -1.26 -0.37 116.66 109.60 2f8b n ARG 9 Ca 0.00 -0.99 -0.25 0.00 -0.00 0.00 0.00 57.85 56.61 2f8b n ARG 9 Cb 0.00 -3.02 -0.11 0.00 0.00 0.00 0.00 32.46 29.33 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 11.72 2.27 -0.26 -0.14 3.76 -0.22 -4.71 115.29 127.71 2f8b s HIS 10 Ca 0.75 -0.60 -0.04 0.00 -0.15 0.00 0.00 55.06 55.02 2f8b s HIS 10 Cb -0.15 -1.35 0.09 0.00 1.11 0.00 0.00 32.58 32.28 2f8b s HIS 10 CO 0.17 0.46 0.12 0.15 -0.85 0.00 0.00 174.74 174.78 2f8b s LYS 11 N -3.67 0.21 -0.64 1.40 3.01 -1.26 -1.25 119.74 117.54 2f8b s LYS 11 Ca 0.32 -0.46 -0.22 0.00 -1.01 0.00 0.00 55.97 54.60 2f8b s LYS 11 Cb 0.04 -1.40 0.08 0.00 -1.01 0.00 0.00 37.83 35.54 2f8b s LYS 11 CO 0.15 -0.93 0.91 0.42 0.51 0.00 0.00 175.35 176.42 2f8b s ILE 12 N 2.07 4.42 -0.21 2.17 1.01 0.17 -4.82 121.20 126.01 2f8b s ILE 12 Ca 0.07 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 2f8b s ILE 12 Cb -0.16 -4.64 -0.03 0.00 0.01 0.00 0.00 42.46 37.63 2f8b s ILE 12 CO -0.29 -1.39 1.70 -0.22 0.00 0.00 0.00 174.94 174.75 2f8b s LEU 13 N 3.80 3.87 0.00 2.97 0.20 -1.26 -0.31 118.68 127.95 2f8b s LEU 13 Ca 0.20 1.70 0.00 0.00 0.69 0.00 0.00 54.13 56.72 2f8b s LEU 13 Cb -0.18 -3.53 -0.00 0.00 -0.43 0.00 0.00 46.19 42.05 2f8b s LEU 13 CO 0.10 -1.33 0.01 0.00 -0.29 0.00 0.00 176.35 174.83 2f8b s VAL 15 N -1.43 1.79 -0.14 0.00 -7.23 -1.26 -0.89 120.40 111.23 2f8b s VAL 15 Ca 0.01 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 57.94 2f8b s VAL 15 Cb 0.00 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 2f8b s VAL 15 CO 0.01 -0.36 1.07 0.00 -0.31 0.00 0.00 175.10 175.51 2f8b n LYS 18 N -3.93 0.42 0.00 0.00 -0.00 -1.26 -4.47 118.16 108.92 2f8b n LYS 18 Ca -0.02 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2f8b n LYS 18 Cb 0.38 -1.72 0.00 0.00 -0.00 0.00 0.00 35.03 33.68 2f8b n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2f8b n ASP 20 N 0.00 -3.46 -4.79 0.00 2.03 0.11 -4.94 116.55 105.50 2f8b n ASP 20 Ca 0.00 0.24 -0.36 0.00 0.52 0.00 0.00 54.79 55.19 2f8b n ASP 20 Cb 0.31 -3.08 -0.05 0.00 -0.72 0.00 0.00 41.12 37.58 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 2.71 -0.04 0.27 0.00 -1.25 -4.64 107.32 102.36 2f8b s GLY 21 Ca 0.00 0.60 -0.30 0.00 0.00 0.00 0.00 44.72 45.03 2f8b s GLY 21 CO 0.00 1.02 1.67 -1.60 0.00 0.00 0.00 173.10 174.19 2f8b s ARG 22 N -2.46 4.18 -0.23 2.90 3.00 -1.26 -0.29 118.95 124.79 2f8b s ARG 22 Ca 0.56 2.22 0.01 0.00 -1.00 0.00 0.00 55.73 57.52 2f8b s ARG 22 Cb -0.19 -3.98 0.05 0.00 0.00 0.00 0.00 34.95 30.83 2f8b s ARG 22 CO 0.24 -0.85 -0.09 0.42 0.00 0.00 0.00 175.30 175.02 2f8b s ILE 23 N 4.00 1.77 -1.10 4.11 1.01 -0.07 -4.92 121.20 125.99 2f8b s ILE 23 Ca 0.74 -1.24 -0.21 0.00 0.00 0.00 0.00 60.65 59.93 2f8b s ILE 23 Cb -0.34 -1.90 0.06 0.00 0.01 0.00 0.00 42.46 40.28 2f8b s ILE 23 CO 0.30 0.04 1.54 -0.70 0.00 0.00 0.00 174.94 176.13 2f8b s GLU 24 N 1.31 3.71 -0.71 2.79 2.12 -1.26 -0.25 118.70 126.41 2f8b s GLU 24 Ca -0.05 -1.39 -0.26 0.00 0.36 0.00 0.00 54.97 53.64 2f8b s GLU 24 Cb -0.18 -5.41 -0.04 0.00 0.26 0.00 0.00 34.13 28.76 2f8b s GLU 24 CO -0.07 -2.22 1.97 -0.51 -0.54 0.00 0.00 175.26 173.88 2f8b s LEU 25 N 4.75 3.23 -0.61 2.70 1.43 0.58 -4.80 118.68 125.96 2f8b s LEU 25 Ca 0.48 0.04 -0.25 0.00 -1.03 0.00 0.00 54.13 53.37 2f8b s LEU 25 Cb 0.01 -2.54 0.04 0.00 0.03 0.00 0.00 46.19 43.74 2f8b s LEU 25 CO -0.05 -2.63 1.07 -0.89 0.23 0.00 0.00 176.35 174.08 2f8b s THR 26 N 10.01 4.17 0.11 5.49 2.01 -1.26 -0.65 115.64 135.52 2f8b s THR 26 Ca 0.72 0.33 0.10 0.00 0.31 0.00 0.00 61.69 63.15 2f8b s THR 26 Cb -0.11 -4.68 -0.04 0.00 0.01 0.00 0.00 72.50 67.68 2f8b s THR 26 CO 0.13 -1.37 -0.25 0.68 -0.69 0.00 0.00 174.62 173.12 2f8b s VAL 27 N 4.54 2.34 -0.65 3.82 -7.23 -0.38 -4.96 120.40 117.87 2f8b s VAL 27 Ca 0.33 -1.64 0.05 0.00 -1.81 0.00 0.00 61.98 58.91 2f8b s VAL 27 Cb -0.11 -2.02 0.16 0.00 0.56 0.00 0.00 36.38 34.97 2f8b s VAL 27 CO 0.18 0.15 0.44 -0.70 -0.31 0.00 0.00 175.10 174.86 2f8b s GLU 28 N -1.90 2.29 0.25 4.82 2.12 -1.25 -1.05 118.70 123.97 2f8b s GLU 28 Ca 0.14 -3.14 -0.17 0.00 0.36 0.00 0.00 54.97 52.16 2f8b s GLU 28 Cb -0.10 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 30.99 2f8b s GLU 28 CO 0.06 -1.26 0.58 0.45 -0.54 0.00 0.00 175.26 174.55 2f8b s SER 29 N -1.15 -0.19 0.65 -1.70 0.15 0.50 -4.76 113.70 107.20 2f8b s SER 29 Ca 0.24 -0.72 -0.18 0.00 0.70 0.00 0.00 55.95 55.99 2f8b s SER 29 Cb -0.09 0.64 -0.01 0.00 -1.71 0.00 0.00 66.02 64.86 2f8b s SER 29 CO -0.13 -1.21 1.25 -0.44 1.20 0.00 0.00 173.24 173.91 2f8b s SER 30 N -2.95 4.70 0.19 5.45 0.01 -1.26 -3.75 113.70 116.09 2f8b s SER 30 Ca 0.16 2.49 -0.12 0.00 1.31 0.00 0.00 55.95 59.79 2f8b s SER 30 Cb -0.03 -2.61 0.15 0.00 0.21 0.00 0.00 66.02 63.75 2f8b s SER 30 CO 0.06 -1.93 1.82 0.00 0.41 0.00 0.00 173.24 173.60 2f8b h ALA 31 N 0.47 0.76 -0.07 1.44 0.00 -1.98 -0.26 119.26 119.61 2f8b h ALA 31 Ca -0.50 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 2f8b h ALA 31 Cb 1.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2f8b h ALA 31 CO 0.53 0.05 -0.46 0.93 0.00 0.00 0.00 179.25 180.31 2f8b h GLU 32 N 0.67 0.17 -0.12 0.00 5.08 -1.97 0.85 114.58 119.25 2f8b h GLU 32 Ca 0.24 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2f8b h GLU 32 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2f8b h GLU 32 CO -0.12 0.59 -0.09 0.22 -1.00 0.00 0.00 179.01 178.61 2f8b h ASP 33 N 0.14 0.28 -0.83 1.42 1.82 -1.76 0.20 116.42 117.69 2f8b h ASP 33 Ca 0.01 -0.45 0.12 0.00 -0.39 0.00 0.00 57.03 56.32 2f8b h ASP 33 Cb 0.86 -0.08 -0.08 0.00 0.68 0.00 0.00 39.33 40.71 2f8b h ASP 33 CO 0.07 0.68 0.44 0.25 -1.61 0.00 0.00 179.24 179.07 2f8b h LEU 34 N -0.11 0.58 -0.11 2.28 6.46 -0.91 -0.85 115.31 122.64 2f8b h LEU 34 Ca 0.02 0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.76 2f8b h LEU 34 Cb 0.58 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 2f8b h LEU 34 CO 0.02 0.29 -0.28 -0.09 -0.62 0.00 0.00 178.44 177.77 2f8b h ARG 35 N 0.69 0.39 -0.24 1.25 2.43 -0.67 0.29 114.38 118.51 2f8b h ARG 35 Ca 0.43 -0.27 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 2f8b h ARG 35 Cb 0.51 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 2f8b h ARG 35 CO -0.31 0.87 -0.05 1.15 -1.51 0.00 0.00 179.97 180.13 2f8b h THR 36 N -0.04 0.77 -1.00 0.20 2.02 -0.28 0.17 112.91 114.76 2f8b h THR 36 Ca -0.00 -0.01 0.12 0.00 0.77 0.00 0.00 66.41 67.29 2f8b h THR 36 Cb 0.88 0.75 -0.09 0.00 -1.74 0.00 0.00 68.15 67.96 2f8b h THR 36 CO 0.06 0.00 0.63 0.25 0.37 0.00 0.00 175.52 176.83 2f8b h LEU 37 N 0.02 0.92 -1.07 2.58 5.85 -0.99 -0.43 115.31 122.19 2f8b h LEU 37 Ca 0.12 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 2f8b h LEU 37 Cb 0.17 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2f8b h LEU 37 CO -0.24 0.48 -0.09 -0.61 -0.34 0.00 0.00 178.44 177.65 2f8b h GLN 38 N 0.99 0.56 -0.07 1.25 4.15 0.12 -1.58 115.11 120.53 2f8b h GLN 38 Ca 0.50 -0.16 -0.11 0.00 0.77 0.00 0.00 58.65 59.65 2f8b h GLN 38 Cb 0.50 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 2f8b h GLN 38 CO -0.27 0.65 -0.46 1.96 -1.93 0.00 0.00 178.83 178.78 2f8b h GLN 39 N 0.53 0.17 -0.10 1.69 1.08 0.85 0.24 115.11 119.56 2f8b h GLN 39 Ca 0.10 -0.09 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2f8b h GLN 39 Cb 0.47 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 2f8b h GLN 39 CO 0.03 0.59 0.01 -0.07 -0.95 0.00 0.00 178.83 178.44 2f8b h LEU 40 N 0.14 -0.02 -0.75 1.46 3.38 -0.57 0.20 115.31 119.15 2f8b h LEU 40 Ca 0.01 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2f8b h LEU 40 Cb 0.86 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 2f8b h LEU 40 CO 0.07 0.01 0.49 -0.26 0.09 0.00 0.00 178.44 178.84 2f8b h PHE 41 N 0.05 0.95 -0.81 1.13 -1.00 -0.82 0.12 116.94 116.55 2f8b h PHE 41 Ca 0.04 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 2f8b h PHE 41 Cb 0.05 -0.32 -0.04 0.00 3.61 0.00 0.00 35.95 39.25 2f8b h PHE 41 CO -0.12 0.60 0.48 1.25 -1.61 0.00 0.00 178.31 178.91 2f8b h LEU 42 N 1.02 0.97 0.49 1.54 6.46 -0.32 -3.17 115.31 122.31 2f8b h LEU 42 Ca 0.27 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.95 2f8b h LEU 42 Cb -0.11 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.58 2f8b h LEU 42 CO -0.06 0.75 -0.24 -1.28 -0.62 0.00 0.00 178.44 177.00 2f8b h SER 43 N 1.12 -0.56 0.00 1.25 0.87 0.12 -3.46 113.55 112.89 2f8b h SER 43 Ca 0.29 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 2f8b h SER 43 Cb -0.04 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2f8b h SER 43 CO -0.05 -0.27 0.00 0.35 -0.53 0.00 0.00 176.83 176.33 2f8b n THR 44 N -4.54 0.00 -2.46 2.23 -2.24 -0.11 -5.10 114.28 102.07 2f8b n THR 44 Ca -0.08 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.36 2f8b n THR 44 Cb 0.26 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.02 3.76 0.26 3.22 1.02 -0.38 -4.95 118.68 120.59 2f8b s LEU 45 Ca 0.00 1.82 -0.05 0.00 0.02 0.00 0.00 54.13 55.92 2f8b s LEU 45 Cb 0.00 -4.54 -0.02 0.00 0.02 0.00 0.00 46.19 41.65 2f8b s LEU 45 CO 0.00 -0.77 0.35 -0.94 0.02 0.00 0.00 176.35 175.01 2f8b s SER 46 N -2.33 0.34 0.15 2.29 1.04 -1.26 -4.33 113.70 109.60 2f8b s SER 46 Ca 0.65 -1.27 0.11 0.00 0.48 0.00 0.00 55.95 55.92 2f8b s SER 46 Cb -0.14 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 2f8b s SER 46 CO 0.24 -1.08 -0.23 0.12 0.98 0.00 0.00 173.24 173.28 2f8b s PHE 47 N -3.80 2.38 -0.28 5.02 2.19 -1.26 -5.02 117.98 117.21 2f8b s PHE 47 Ca 0.31 -0.34 0.03 0.00 0.33 0.00 0.00 56.93 57.26 2f8b s PHE 47 Cb 0.02 -1.24 0.07 0.00 -1.31 0.00 0.00 43.02 40.56 2f8b s PHE 47 CO 0.14 0.41 -0.07 0.14 1.83 0.00 0.00 175.22 177.67 2f8b s VAL 48 N -1.31 2.27 0.52 3.12 -7.23 -1.26 -3.59 120.40 112.92 2f8b s VAL 48 Ca 0.18 -1.75 -0.20 0.00 -1.81 0.00 0.00 61.98 58.39 2f8b s VAL 48 Cb -0.09 -2.40 -0.08 0.00 0.56 0.00 0.00 36.38 34.36 2f8b s VAL 48 CO 0.09 -0.15 0.85 0.00 -0.31 0.00 0.00 175.10 175.58 2f8b h PRO 50 N 0.80 0.00 0.30 0.00 0.13 -1.99 0.17 132.00 131.41 2f8b h PRO 50 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2f8b h PRO 50 Cb 1.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 2f8b h PRO 50 CO 0.52 0.00 -0.45 2.35 -0.23 0.00 0.00 178.00 180.19 2f8b h TRP 51 N 0.00 -1.27 -0.04 1.56 7.01 -1.99 -0.72 115.95 120.51 2f8b h TRP 51 Ca 0.06 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 60.98 2f8b h TRP 51 Cb 0.25 0.51 -0.01 0.00 -2.10 0.00 0.00 29.16 27.81 2f8b h TRP 51 CO 0.00 -0.56 -0.41 0.00 -2.79 0.00 0.00 178.44 174.69 2f8b h ALA 53 N 1.52 1.19 0.05 0.00 0.00 -0.77 0.23 119.26 121.48 2f8b h ALA 53 Ca 0.00 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 2f8b h ALA 53 Cb 0.75 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.44 2f8b h ALA 53 CO 0.06 0.52 -0.76 1.15 0.00 0.00 0.00 179.25 180.22 2f8b h THR 54 N 0.37 1.42 -0.47 0.00 2.02 -0.49 -3.33 112.91 112.45 2f8b h THR 54 Ca 0.06 -2.25 -0.13 0.00 0.77 0.00 0.00 66.41 64.86 2f8b h THR 54 Cb 0.61 2.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.75 2f8b h THR 54 CO 0.04 0.65 -0.23 0.78 0.37 0.00 0.00 175.52 177.13 2f8b h ASN 55 N -0.10 1.00 0.00 4.18 -0.26 -0.93 -3.51 115.58 115.95 2f8b h ASN 55 Ca -0.11 -0.38 0.00 0.00 -0.56 0.00 0.00 56.30 55.25 2f8b h ASN 55 Cb 1.49 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 38.47 2f8b h ASN 55 CO 0.15 1.18 0.00 1.67 -1.06 0.00 0.00 177.43 179.36