#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 4.59 0.00 1.61 0.01 -1.26 -4.92 113.70 113.73 2f8b s SER 2 Ca 0.00 2.64 0.00 0.00 1.31 0.00 0.00 55.95 59.90 2f8b s SER 2 Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2f8b s SER 2 CO 0.00 -2.01 0.00 1.57 0.41 0.00 0.00 173.24 173.21 2f8b n HIS 3 N -1.90 -1.40 -3.49 2.43 -0.00 -1.26 -5.08 115.22 104.53 2f8b n HIS 3 Ca 0.16 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.59 2f8b n HIS 3 Cb 0.48 0.48 -0.13 0.00 -0.00 0.00 0.00 29.99 30.82 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 -0.96 0.46 -0.69 1.57 -2.45 -1.26 -5.10 119.30 110.88 2f8b s MET 4 Ca 0.00 -1.12 -0.27 0.00 -1.25 0.00 0.00 55.69 53.05 2f8b s MET 4 Cb 0.00 -1.28 0.02 0.00 1.25 0.00 0.00 34.83 34.81 2f8b s MET 4 CO 0.00 -1.16 1.45 0.00 1.05 0.00 0.00 175.02 176.36 2f8b s ALA 5 N 1.34 2.60 0.07 4.11 0.00 -1.26 -4.99 121.76 123.64 2f8b s ALA 5 Ca 0.16 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 51.03 2f8b s ALA 5 Cb -0.21 -4.26 -0.03 0.00 0.00 0.00 0.00 23.12 18.62 2f8b s ALA 5 CO -0.09 -3.43 -0.13 -1.21 0.00 0.00 0.00 175.76 170.90 2f8b s GLU 6 N 6.07 0.80 -1.35 0.00 2.02 -1.26 -5.06 118.70 119.92 2f8b s GLU 6 Ca 0.45 -0.97 -0.10 0.00 0.02 0.00 0.00 54.97 54.37 2f8b s GLU 6 Cb -0.09 -0.73 -0.07 0.00 0.10 0.00 0.00 34.13 33.34 2f8b s GLU 6 CO 0.17 0.15 2.57 -0.35 0.02 0.00 0.00 175.26 177.83 2f8b n PRO 7 N 1.17 3.01 0.08 0.39 -0.04 -1.26 -3.88 135.00 134.46 2f8b n PRO 7 Ca -0.20 -2.01 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 2f8b n PRO 7 Cb 0.55 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 2f8b n PRO 7 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2f8b n GLN 8 N 4.25 0.00 -1.55 0.54 3.00 -1.26 -3.74 117.38 118.61 2f8b n GLN 8 Ca 0.64 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 57.38 2f8b n GLN 8 Cb 0.23 -0.31 -0.07 0.00 0.00 0.00 0.00 30.24 30.09 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 -3.45 0.70 -4.44 -1.09 0.00 -1.25 0.06 116.66 107.18 2f8b n ARG 9 Ca 0.00 -0.39 -0.21 0.00 -0.00 0.00 0.00 57.85 57.25 2f8b n ARG 9 Cb 0.00 -3.30 -0.10 0.00 0.00 0.00 0.00 32.46 29.06 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 12.51 1.95 -0.31 -0.14 3.76 -0.60 -4.95 115.29 127.51 2f8b s HIS 10 Ca 1.00 -0.84 -0.02 0.00 -0.15 0.00 0.00 55.06 55.05 2f8b s HIS 10 Cb -0.26 -1.21 0.12 0.00 1.11 0.00 0.00 32.58 32.34 2f8b s HIS 10 CO 0.21 0.13 0.21 0.15 -0.85 0.00 0.00 174.74 174.59 2f8b s LYS 11 N -3.82 0.33 -0.85 1.40 1.02 -1.25 -0.98 119.74 115.59 2f8b s LYS 11 Ca 0.33 -0.57 -0.22 0.00 0.02 0.00 0.00 55.97 55.53 2f8b s LYS 11 Cb 0.07 -0.99 0.08 0.00 -0.52 0.00 0.00 37.83 36.47 2f8b s LYS 11 CO 0.14 -1.07 1.18 0.42 -0.92 0.00 0.00 175.35 175.10 2f8b s ILE 12 N 1.95 4.28 -0.26 2.17 1.01 0.03 -4.83 121.20 125.56 2f8b s ILE 12 Ca 0.11 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.72 2f8b s ILE 12 Cb -0.16 -4.84 -0.03 0.00 0.01 0.00 0.00 42.46 37.44 2f8b s ILE 12 CO -0.27 -1.65 1.83 -0.22 0.00 0.00 0.00 174.94 174.64 2f8b s LEU 13 N 4.06 3.65 0.00 2.97 0.20 -1.26 -0.77 118.68 127.53 2f8b s LEU 13 Ca 0.33 1.57 0.00 0.00 0.69 0.00 0.00 54.13 56.72 2f8b s LEU 13 Cb -0.08 -3.53 -0.00 0.00 -0.43 0.00 0.00 46.19 42.16 2f8b s LEU 13 CO -0.01 -1.59 0.00 0.00 -0.29 0.00 0.00 176.35 174.46 2f8b s VAL 15 N -1.62 2.20 0.14 0.00 -7.23 -1.26 -0.82 120.40 111.80 2f8b s VAL 15 Ca 0.00 -1.94 -0.31 0.00 -1.81 0.00 0.00 61.98 57.93 2f8b s VAL 15 Cb 0.00 -2.02 -0.08 0.00 0.56 0.00 0.00 36.38 34.84 2f8b s VAL 15 CO 0.00 -0.12 1.38 0.00 -0.31 0.00 0.00 175.10 176.05 2f8b n LYS 18 N -4.48 3.48 0.00 0.00 2.85 -1.26 -4.65 118.16 114.10 2f8b n LYS 18 Ca 0.10 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 2f8b n LYS 18 Cb 0.22 -0.98 0.00 0.00 -0.65 0.00 0.00 35.03 33.62 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 -0.01 -5.01 -4.79 0.00 2.03 0.44 -4.89 116.55 104.32 2f8b n ASP 20 Ca 0.00 0.34 -0.35 0.00 0.52 0.00 0.00 54.79 55.30 2f8b n ASP 20 Cb 0.35 -4.07 -0.03 0.00 -0.72 0.00 0.00 41.12 36.65 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 -2.37 2.65 -0.21 0.27 0.00 -1.26 -4.42 107.32 101.97 2f8b s GLY 21 Ca 0.00 0.72 -0.29 0.00 0.00 0.00 0.00 44.72 45.15 2f8b s GLY 21 CO 0.00 1.10 1.81 -1.60 0.00 0.00 0.00 173.10 174.41 2f8b s ARG 22 N -2.89 3.62 -0.32 2.90 3.00 -1.26 -0.16 118.95 123.83 2f8b s ARG 22 Ca 0.64 1.80 0.00 0.00 -1.00 0.00 0.00 55.73 57.17 2f8b s ARG 22 Cb -0.21 -4.15 0.08 0.00 0.00 0.00 0.00 34.95 30.67 2f8b s ARG 22 CO 0.26 -1.52 0.03 0.42 0.00 0.00 0.00 175.30 174.49 2f8b s ILE 23 N 6.03 2.72 -1.17 4.11 1.01 -0.00 -4.94 121.20 128.96 2f8b s ILE 23 Ca 0.81 -1.80 -0.20 0.00 0.00 0.00 0.00 60.65 59.46 2f8b s ILE 23 Cb -0.28 -2.73 0.06 0.00 0.01 0.00 0.00 42.46 39.52 2f8b s ILE 23 CO 0.33 -0.32 1.60 -0.70 0.00 0.00 0.00 174.94 175.85 2f8b s GLU 24 N 1.12 3.80 -0.79 2.79 2.12 -1.26 -0.34 118.70 126.13 2f8b s GLU 24 Ca 0.00 -1.58 -0.25 0.00 0.36 0.00 0.00 54.97 53.50 2f8b s GLU 24 Cb -0.20 -5.45 -0.05 0.00 0.26 0.00 0.00 34.13 28.69 2f8b s GLU 24 CO -0.04 -2.24 1.96 -0.51 -0.54 0.00 0.00 175.26 173.90 2f8b s LEU 25 N 4.58 3.19 -0.70 2.70 1.43 0.05 -4.84 118.68 125.11 2f8b s LEU 25 Ca 0.50 -0.25 -0.22 0.00 -1.03 0.00 0.00 54.13 53.12 2f8b s LEU 25 Cb 0.02 -2.55 0.07 0.00 0.03 0.00 0.00 46.19 43.77 2f8b s LEU 25 CO -0.01 -2.70 1.00 -0.89 0.23 0.00 0.00 176.35 173.98 2f8b s THR 26 N 10.13 4.33 -0.19 5.49 2.01 -1.26 -0.79 115.64 135.36 2f8b s THR 26 Ca 0.71 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 62.27 2f8b s THR 26 Cb -0.09 -4.71 0.03 0.00 0.01 0.00 0.00 72.50 67.74 2f8b s THR 26 CO 0.07 -1.49 -0.16 0.68 -0.69 0.00 0.00 174.62 173.03 2f8b s VAL 27 N 4.03 1.97 -0.58 3.82 -7.23 -0.15 -4.96 120.40 117.30 2f8b s VAL 27 Ca 0.24 -1.05 -0.28 0.00 -1.81 0.00 0.00 61.98 59.08 2f8b s VAL 27 Cb -0.15 -1.88 0.03 0.00 0.56 0.00 0.00 36.38 34.93 2f8b s VAL 27 CO 0.08 0.37 1.25 -1.61 -0.31 0.00 0.00 175.10 174.88 2f8b s GLU 28 N 1.29 3.47 0.07 4.82 2.02 -1.26 -1.56 118.70 127.54 2f8b s GLU 28 Ca 0.01 0.30 -0.26 0.00 0.02 0.00 0.00 54.97 55.04 2f8b s GLU 28 Cb -0.15 -4.04 0.07 0.00 0.10 0.00 0.00 34.13 30.11 2f8b s GLU 28 CO -0.11 -1.74 0.62 0.45 0.02 0.00 0.00 175.26 174.50 2f8b s SER 29 N 3.30 -0.59 0.35 -0.19 0.15 0.11 -4.85 113.70 111.98 2f8b s SER 29 Ca 0.45 0.29 -0.26 0.00 0.70 0.00 0.00 55.95 57.12 2f8b s SER 29 Cb -0.08 0.57 -0.12 0.00 -1.71 0.00 0.00 66.02 64.67 2f8b s SER 29 CO 0.25 -0.81 1.04 -1.20 1.20 0.00 0.00 173.24 173.72 2f8b n SER 30 N 0.18 1.47 -0.20 5.45 7.64 -1.25 -4.25 113.62 122.65 2f8b n SER 30 Ca -0.18 1.12 0.13 0.00 1.01 0.00 0.00 58.87 60.96 2f8b n SER 30 Cb 0.62 -1.34 0.45 0.00 -1.01 0.00 0.00 64.21 62.92 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 1.88 1.97 0.00 -0.43 0.00 -1.92 0.67 119.26 121.44 2f8b h ALA 31 Ca -0.42 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 2f8b h ALA 31 Cb 1.33 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2f8b h ALA 31 CO 0.59 -0.18 -0.98 0.93 0.00 0.00 0.00 179.25 179.61 2f8b h GLU 32 N 0.54 0.00 -0.32 0.00 5.08 -1.95 0.54 114.58 118.48 2f8b h GLU 32 Ca 0.39 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.68 2f8b h GLU 32 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2f8b h GLU 32 CO -0.15 0.41 -0.06 0.22 -1.00 0.00 0.00 179.01 178.43 2f8b h ASP 33 N 0.00 0.61 -0.21 1.42 1.82 -1.49 0.92 116.42 119.48 2f8b h ASP 33 Ca -0.08 -0.35 0.03 0.00 -0.39 0.00 0.00 57.03 56.23 2f8b h ASP 33 Cb 1.49 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 41.31 2f8b h ASP 33 CO 0.06 0.82 0.04 0.25 -1.61 0.00 0.00 179.24 178.80 2f8b h LEU 34 N 0.39 0.01 -0.39 2.28 6.46 -0.93 -1.50 115.31 121.62 2f8b h LEU 34 Ca 0.08 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.92 2f8b h LEU 34 Cb 0.55 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.48 2f8b h LEU 34 CO 0.03 0.04 0.14 -0.09 -0.62 0.00 0.00 178.44 177.93 2f8b h ARG 35 N 0.12 0.29 -0.30 1.25 2.43 -0.73 0.28 114.38 117.73 2f8b h ARG 35 Ca 0.10 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2f8b h ARG 35 Cb 0.09 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 2f8b h ARG 35 CO -0.13 0.19 0.08 1.15 -1.51 0.00 0.00 179.97 179.76 2f8b h THR 36 N 0.30 0.89 -0.66 0.20 2.02 -0.54 0.22 112.91 115.34 2f8b h THR 36 Ca 0.18 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.33 2f8b h THR 36 Cb 0.15 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 2f8b h THR 36 CO -0.18 0.04 0.44 0.17 0.37 0.00 0.00 175.52 176.36 2f8b h LEU 37 N 0.20 0.67 -1.05 2.58 8.10 -0.44 -0.73 115.31 124.64 2f8b h LEU 37 Ca 0.14 -0.01 -0.06 0.00 0.11 0.00 0.00 57.88 58.06 2f8b h LEU 37 Cb 0.12 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 40.18 2f8b h LEU 37 CO -0.16 0.45 -0.29 -0.61 -4.11 0.00 0.00 178.44 173.73 2f8b h GLN 38 N 0.77 0.00 -0.20 0.17 4.15 0.12 -0.39 115.11 119.72 2f8b h GLN 38 Ca 0.27 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.51 2f8b h GLN 38 Cb 0.11 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 2f8b h GLN 38 CO -0.08 0.29 -0.61 1.96 -1.93 0.00 0.00 178.83 178.46 2f8b h GLN 39 N 0.00 0.68 -0.50 1.69 1.08 0.77 -0.15 115.11 118.69 2f8b h GLN 39 Ca -0.00 -0.46 -0.00 0.00 -1.45 0.00 0.00 58.65 56.73 2f8b h GLN 39 Cb 0.80 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.28 2f8b h GLN 39 CO 0.04 1.08 0.29 -0.07 -0.95 0.00 0.00 178.83 179.23 2f8b h LEU 40 N 0.51 0.59 -0.12 1.46 3.38 -0.62 0.15 115.31 120.65 2f8b h LEU 40 Ca -0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2f8b h LEU 40 Cb 1.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2f8b h LEU 40 CO 0.12 0.46 0.04 0.15 0.09 0.00 0.00 178.44 179.30 2f8b h PHE 41 N 0.68 0.19 -0.25 1.13 3.04 -0.75 0.27 116.94 121.26 2f8b h PHE 41 Ca 0.18 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.07 2f8b h PHE 41 Cb -0.02 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 2f8b h PHE 41 CO 0.00 0.30 -0.02 -0.07 -2.02 0.00 0.00 178.31 176.50 2f8b h LEU 42 N 0.02 0.35 0.21 0.59 3.38 -0.63 -3.27 115.31 115.96 2f8b h LEU 42 Ca 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2f8b h LEU 42 Cb 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2f8b h LEU 42 CO -0.00 0.43 -0.10 -1.28 0.09 0.00 0.00 178.44 177.58 2f8b h SER 43 N 0.37 -0.24 0.00 -0.43 0.87 -0.47 -3.47 113.55 110.18 2f8b h SER 43 Ca 0.08 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2f8b h SER 43 Cb 0.29 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2f8b h SER 43 CO 0.01 0.12 0.00 0.41 -0.53 0.00 0.00 176.83 176.84 2f8b n THR 44 N -4.35 0.00 -3.30 2.23 -1.04 0.71 -5.08 114.28 103.45 2f8b n THR 44 Ca -0.03 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.61 2f8b n THR 44 Cb 0.11 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.56 2f8b n THR 44 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2f8b s LEU 45 N -2.02 4.39 0.00 -4.42 0.20 0.26 -4.98 118.68 112.11 2f8b s LEU 45 Ca 0.00 1.17 0.03 0.00 0.69 0.00 0.00 54.13 56.03 2f8b s LEU 45 Cb 0.00 -3.21 -0.01 0.00 -0.43 0.00 0.00 46.19 42.53 2f8b s LEU 45 CO 0.00 0.14 0.11 -1.54 -0.29 0.00 0.00 176.35 174.77 2f8b n SER 46 N 1.03 1.77 -4.05 3.68 3.41 -1.26 -4.46 113.62 113.75 2f8b n SER 46 Ca -0.06 -3.20 -0.08 0.00 -0.26 0.00 0.00 58.87 55.26 2f8b n SER 46 Cb 0.51 0.87 -0.10 0.00 -0.26 0.00 0.00 64.21 65.23 2f8b n SER 46 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2f8b s PHE 47 N -3.03 0.45 -0.30 7.33 0.08 -1.26 -5.05 117.98 116.20 2f8b s PHE 47 Ca 0.16 -0.80 -0.01 0.00 0.12 0.00 0.00 56.93 56.40 2f8b s PHE 47 Cb 0.01 -0.32 0.13 0.00 -0.57 0.00 0.00 43.02 42.27 2f8b s PHE 47 CO 0.11 -0.27 0.27 0.08 -0.10 0.00 0.00 175.22 175.31 2f8b s VAL 48 N -2.73 -0.32 0.75 -0.44 1.01 -1.26 -1.59 120.40 115.82 2f8b s VAL 48 Ca -0.03 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 2f8b s VAL 48 Cb -0.01 -0.96 0.04 0.00 0.00 0.00 0.00 36.38 35.45 2f8b s VAL 48 CO -0.05 -0.55 1.16 0.00 0.00 0.00 0.00 175.10 175.66 2f8b h PRO 50 N -0.39 0.00 0.12 0.00 0.13 -2.01 0.85 132.00 130.69 2f8b h PRO 50 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.48 0.02 -0.09 2.35 -0.23 0.00 0.00 178.00 180.53 2f8b h TRP 51 N 0.00 -0.24 0.00 1.56 7.01 -1.99 -1.31 115.95 120.97 2f8b h TRP 51 Ca -0.00 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 2f8b h TRP 51 Cb 0.06 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 2f8b h TRP 51 CO 0.00 -0.13 -0.24 0.00 -2.79 0.00 0.00 178.44 175.28 2f8b h ALA 53 N 1.76 1.31 -0.00 0.00 0.00 -0.74 0.20 119.26 121.78 2f8b h ALA 53 Ca -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2f8b h ALA 53 Cb 0.52 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2f8b h ALA 53 CO 0.03 0.57 -0.12 1.15 0.00 0.00 0.00 179.25 180.88 2f8b h THR 54 N 1.05 1.57 -0.00 0.00 2.02 -0.73 -3.36 112.91 113.47 2f8b h THR 54 Ca 0.27 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.60 2f8b h THR 54 Cb 0.03 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 2f8b h THR 54 CO -0.04 0.49 -0.04 0.59 0.37 0.00 0.00 175.52 176.89 2f8b n ASN 55 N -4.62 0.05 0.00 4.18 3.02 0.16 -5.10 115.26 112.95 2f8b n ASN 55 Ca -0.09 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 2f8b n ASN 55 Cb 0.43 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 2f8b n ASN 55 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31