#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 -0.09 0.00 1.61 0.15 -1.26 -5.04 113.70 109.07 2f8b s SER 2 Ca 0.00 -0.84 0.04 0.00 0.70 0.00 0.00 55.95 55.85 2f8b s SER 2 Cb 0.00 0.55 0.10 0.00 -1.71 0.00 0.00 66.02 64.97 2f8b s SER 2 CO 0.00 -1.07 1.08 1.41 1.20 0.00 0.00 173.24 175.87 2f8b n HIS 3 N -0.34 0.16 -0.69 3.44 -0.00 -1.26 -5.09 115.22 111.44 2f8b n HIS 3 Ca -0.04 -0.50 0.00 0.00 -0.00 0.00 0.00 57.72 57.18 2f8b n HIS 3 Cb 0.62 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.57 2f8b n HIS 3 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 2f8b n MET 4 N -0.15 -1.83 -3.96 -0.41 0.00 -1.26 -5.13 117.12 104.38 2f8b n MET 4 Ca 0.04 1.42 -0.09 0.00 -0.00 0.00 0.00 57.70 59.06 2f8b n MET 4 Cb 0.31 -1.75 -0.06 0.00 0.00 0.00 0.00 33.22 31.72 2f8b n MET 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2f8b s ALA 5 N -4.39 -0.23 0.07 -5.12 0.00 -1.26 -5.20 121.76 105.63 2f8b s ALA 5 Ca 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 2f8b s ALA 5 Cb 0.00 1.00 -0.04 0.00 0.00 0.00 0.00 23.12 24.09 2f8b s ALA 5 CO 0.00 -0.79 0.00 -1.21 0.00 0.00 0.00 175.76 173.76 2f8b s GLU 6 N -3.99 0.68 -0.96 0.00 2.02 -1.26 -5.06 118.70 110.13 2f8b s GLU 6 Ca 0.20 -1.23 -0.19 0.00 0.02 0.00 0.00 54.97 53.77 2f8b s GLU 6 Cb 0.01 0.23 -0.10 0.00 0.10 0.00 0.00 34.13 34.36 2f8b s GLU 6 CO 0.05 -0.15 2.02 -0.35 0.02 0.00 0.00 175.26 176.86 2f8b n PRO 7 N 0.07 1.89 0.00 0.39 -0.04 -1.26 -4.06 135.00 131.99 2f8b n PRO 7 Ca -0.13 -2.02 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 2f8b n PRO 7 Cb 0.61 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 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 6.62 0.00 -1.55 0.54 -0.06 -1.26 -4.14 117.38 117.53 2f8b n GLN 8 Ca 0.50 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 55.21 2f8b n GLN 8 Cb 0.39 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.51 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 -1.87 0.77 -4.38 3.69 0.00 -1.26 0.10 116.66 113.72 2f8b n ARG 9 Ca 0.00 -0.25 -0.23 0.00 -0.00 0.00 0.00 57.85 57.37 2f8b n ARG 9 Cb 0.00 -3.26 -0.11 0.00 0.00 0.00 0.00 32.46 29.09 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 12.26 2.00 -0.44 -0.14 3.76 0.02 -4.97 115.29 127.79 2f8b s HIS 10 Ca 1.01 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 55.51 2f8b s HIS 10 Cb -0.28 -0.96 0.14 0.00 1.11 0.00 0.00 32.58 32.59 2f8b s HIS 10 CO 0.24 0.44 0.25 0.15 -0.85 0.00 0.00 174.74 174.98 2f8b s LYS 11 N -3.00 1.22 -0.70 1.40 3.01 -1.25 -1.26 119.74 119.15 2f8b s LYS 11 Ca 0.20 -1.98 -0.25 0.00 -1.01 0.00 0.00 55.97 52.93 2f8b s LYS 11 Cb -0.05 -2.19 0.05 0.00 -1.01 0.00 0.00 37.83 34.62 2f8b s LYS 11 CO 0.09 -1.19 1.14 0.42 0.51 0.00 0.00 175.35 176.32 2f8b s ILE 12 N 0.36 3.99 -0.21 2.17 1.01 -0.02 -4.76 121.20 123.75 2f8b s ILE 12 Ca 0.19 0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 2f8b s ILE 12 Cb -0.22 -4.81 -0.03 0.00 0.01 0.00 0.00 42.46 37.41 2f8b s ILE 12 CO -0.02 -1.67 1.69 -0.22 0.00 0.00 0.00 174.94 174.73 2f8b s LEU 13 N 4.98 3.89 0.00 2.97 0.20 -1.26 -0.32 118.68 129.14 2f8b s LEU 13 Ca 0.30 1.70 0.00 0.00 0.69 0.00 0.00 54.13 56.82 2f8b s LEU 13 Cb -0.12 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.11 2f8b s LEU 13 CO 0.13 -1.31 0.00 0.00 -0.29 0.00 0.00 176.35 174.88 2f8b s VAL 15 N -1.05 2.23 0.04 0.00 -7.23 -1.26 -0.83 120.40 112.30 2f8b s VAL 15 Ca 0.00 -2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 57.84 2f8b s VAL 15 Cb 0.00 -2.06 -0.06 0.00 0.56 0.00 0.00 36.38 34.81 2f8b s VAL 15 CO 0.00 -0.18 1.41 0.00 -0.31 0.00 0.00 175.10 176.01 2f8b n LYS 18 N -4.36 0.84 -0.00 0.00 2.85 -1.26 -4.49 118.16 111.73 2f8b n LYS 18 Ca 0.18 -0.25 0.06 0.00 -1.05 0.00 0.00 58.31 57.25 2f8b n LYS 18 Cb 0.85 -0.71 -0.09 0.00 -0.65 0.00 0.00 35.03 34.43 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 -2.88 -4.16 0.00 2.03 -0.28 -4.98 116.55 104.50 2f8b n ASP 20 Ca -0.01 -1.24 -0.18 0.00 0.52 0.00 0.00 54.79 53.88 2f8b n ASP 20 Cb 0.29 -1.50 -0.12 0.00 -0.72 0.00 0.00 41.12 39.07 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 -3.76 0.82 -0.10 0.27 0.00 -1.25 -4.90 107.32 98.40 2f8b s GLY 21 Ca 0.37 -0.96 -0.29 0.00 0.00 0.00 0.00 44.72 43.85 2f8b s GLY 21 CO 0.93 -0.99 2.00 -1.60 0.00 0.00 0.00 173.10 173.45 2f8b s ARG 22 N -1.68 3.71 -0.24 2.90 3.00 -1.26 -0.18 118.95 125.21 2f8b s ARG 22 Ca -0.03 2.24 -0.04 0.00 -1.00 0.00 0.00 55.73 56.91 2f8b s ARG 22 Cb -0.10 -4.22 0.00 0.00 0.00 0.00 0.00 34.95 30.64 2f8b s ARG 22 CO 0.02 -1.43 -0.03 0.42 0.00 0.00 0.00 175.30 174.27 2f8b s ILE 23 N 5.99 3.30 -1.09 4.11 1.01 -0.01 -4.88 121.20 129.64 2f8b s ILE 23 Ca 0.90 -0.65 -0.22 0.00 0.00 0.00 0.00 60.65 60.68 2f8b s ILE 23 Cb -0.36 -2.57 0.03 0.00 0.01 0.00 0.00 42.46 39.58 2f8b s ILE 23 CO 0.37 0.33 1.62 -0.70 0.00 0.00 0.00 174.94 176.56 2f8b s GLU 24 N 1.44 3.49 -0.65 2.79 2.12 -1.26 -0.28 118.70 126.35 2f8b s GLU 24 Ca 0.04 -1.25 -0.26 0.00 0.36 0.00 0.00 54.97 53.86 2f8b s GLU 24 Cb -0.15 -5.36 -0.06 0.00 0.26 0.00 0.00 34.13 28.82 2f8b s GLU 24 CO -0.03 -2.49 2.15 -0.51 -0.54 0.00 0.00 175.26 173.84 2f8b s LEU 25 N 5.83 3.24 -0.78 2.70 1.43 0.56 -4.77 118.68 126.90 2f8b s LEU 25 Ca 0.53 0.36 -0.21 0.00 -1.03 0.00 0.00 54.13 53.78 2f8b s LEU 25 Cb 0.00 -2.53 0.09 0.00 0.03 0.00 0.00 46.19 43.78 2f8b s LEU 25 CO -0.03 -2.86 1.05 -0.89 0.23 0.00 0.00 176.35 173.85 2f8b s THR 26 N 11.25 4.44 0.00 5.49 2.01 -1.26 -0.84 115.64 136.74 2f8b s THR 26 Ca 0.82 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 62.05 2f8b s THR 26 Cb -0.13 -4.74 -0.03 0.00 0.01 0.00 0.00 72.50 67.61 2f8b s THR 26 CO 0.17 -1.50 -0.12 0.68 -0.69 0.00 0.00 174.62 173.15 2f8b s VAL 27 N 3.63 3.22 -0.74 3.82 -7.23 -0.39 -4.94 120.40 117.76 2f8b s VAL 27 Ca 0.27 -0.90 -0.07 0.00 -1.81 0.00 0.00 61.98 59.48 2f8b s VAL 27 Cb -0.12 -2.35 0.19 0.00 0.56 0.00 0.00 36.38 34.67 2f8b s VAL 27 CO 0.02 0.43 0.61 -0.70 -0.31 0.00 0.00 175.10 175.15 2f8b s GLU 28 N -1.25 3.05 -0.17 4.82 2.12 -1.26 -0.80 118.70 125.22 2f8b s GLU 28 Ca 0.15 -2.63 -0.09 0.00 0.36 0.00 0.00 54.97 52.76 2f8b s GLU 28 Cb -0.11 -4.02 0.06 0.00 0.26 0.00 0.00 34.13 30.33 2f8b s GLU 28 CO 0.05 -1.23 0.40 -1.12 -0.54 0.00 0.00 175.26 172.82 2f8b s SER 29 N 1.08 -0.44 0.38 -1.70 0.01 0.11 -4.82 113.70 108.33 2f8b s SER 29 Ca 0.19 0.88 -0.28 0.00 1.31 0.00 0.00 55.95 58.05 2f8b s SER 29 Cb -0.15 0.83 -0.11 0.00 0.21 0.00 0.00 66.02 66.80 2f8b s SER 29 CO -0.06 -0.20 1.47 -0.44 0.41 0.00 0.00 173.24 174.42 2f8b s SER 30 N 1.60 6.30 0.37 2.44 0.01 -1.26 -4.49 113.70 118.66 2f8b s SER 30 Ca -0.08 3.02 0.14 0.00 1.31 0.00 0.00 55.95 60.34 2f8b s SER 30 Cb -0.09 -2.67 0.99 0.00 0.21 0.00 0.00 66.02 64.46 2f8b s SER 30 CO -0.12 -0.90 1.77 0.00 0.41 0.00 0.00 173.24 174.40 2f8b h ALA 31 N 2.93 2.03 0.00 1.44 0.00 -1.93 0.44 119.26 124.16 2f8b h ALA 31 Ca -0.51 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2f8b h ALA 31 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2f8b h ALA 31 CO 0.64 -0.43 -1.50 -1.91 0.00 0.00 0.00 179.25 176.05 2f8b n GLU 32 N -4.69 0.46 -0.07 0.00 2.13 -1.26 -1.25 120.64 115.95 2f8b n GLU 32 Ca 0.25 -0.09 -0.14 0.00 0.66 0.00 0.00 57.16 57.85 2f8b n GLU 32 Cb 0.77 -1.57 -0.02 0.00 0.27 0.00 0.00 31.44 30.89 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 -0.60 4.31 1.82 -1.47 0.00 116.42 121.41 2f8b h ASP 33 Ca 0.00 -0.48 -0.05 0.00 -0.39 0.00 0.00 57.03 56.11 2f8b h ASP 33 Cb 0.86 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.58 2f8b h ASP 33 CO 0.00 1.26 0.18 0.25 -1.61 0.00 0.00 179.24 179.33 2f8b h LEU 34 N 0.65 0.87 -0.49 2.28 6.46 -0.21 0.39 115.31 125.26 2f8b h LEU 34 Ca 0.02 -0.21 0.02 0.00 -0.12 0.00 0.00 57.88 57.60 2f8b h LEU 34 Cb 1.11 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.78 2f8b h LEU 34 CO 0.11 0.85 0.29 -0.09 -0.62 0.00 0.00 178.44 178.98 2f8b h ARG 35 N 0.85 0.56 -0.11 1.25 2.43 -1.12 0.48 114.38 118.71 2f8b h ARG 35 Ca 0.19 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 2f8b h ARG 35 Cb 0.29 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2f8b h ARG 35 CO -0.01 0.37 -0.04 1.15 -1.51 0.00 0.00 179.97 179.93 2f8b h THR 36 N 0.57 0.86 -0.85 0.20 2.02 -0.50 0.38 112.91 115.60 2f8b h THR 36 Ca 0.20 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.50 2f8b h THR 36 Cb 0.03 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 2f8b h THR 36 CO -0.09 0.00 0.55 0.25 0.37 0.00 0.00 175.52 176.60 2f8b h LEU 37 N -0.02 0.64 -1.14 2.58 5.85 -0.49 -0.47 115.31 122.26 2f8b h LEU 37 Ca 0.06 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 2f8b h LEU 37 Cb 0.11 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2f8b h LEU 37 CO -0.12 0.34 -0.43 -0.61 -0.34 0.00 0.00 178.44 177.28 2f8b h GLN 38 N 0.69 0.00 -0.21 1.25 4.15 0.13 0.12 115.11 121.24 2f8b h GLN 38 Ca 0.41 -0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.70 2f8b h GLN 38 Cb 0.63 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 2f8b h GLN 38 CO -0.18 0.43 -0.44 1.96 -1.93 0.00 0.00 178.83 178.68 2f8b h GLN 39 N 0.00 0.51 0.00 1.69 1.08 0.61 -0.70 115.11 118.31 2f8b h GLN 39 Ca -0.00 -0.27 -0.04 0.00 -1.45 0.00 0.00 58.65 56.89 2f8b h GLN 39 Cb 0.76 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 2f8b h GLN 39 CO 0.06 0.86 -0.17 -0.07 -0.95 0.00 0.00 178.83 178.56 2f8b h LEU 40 N 0.42 0.00 -0.15 1.46 3.38 -0.32 0.18 115.31 120.28 2f8b h LEU 40 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2f8b h LEU 40 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2f8b h LEU 40 CO 0.08 0.17 0.03 0.15 0.09 0.00 0.00 178.44 178.96 2f8b h PHE 41 N 0.00 0.25 0.00 1.13 3.04 -0.38 -0.48 116.94 120.50 2f8b h PHE 41 Ca -0.00 -0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.87 2f8b h PHE 41 Cb 0.34 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 2f8b h PHE 41 CO 0.00 0.41 -0.23 -0.07 -2.02 0.00 0.00 178.31 176.40 2f8b h LEU 42 N 0.02 0.00 0.00 0.59 3.38 -0.60 -3.16 115.31 115.54 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 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2f8b h LEU 42 CO 0.00 0.23 0.00 -0.24 0.09 0.00 0.00 178.44 178.52 2f8b n SER 43 N -3.66 0.00 0.00 -0.43 2.88 0.57 -4.92 113.62 108.05 2f8b n SER 43 Ca -0.01 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2f8b n SER 43 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.40 0.00 -2.17 2.46 -2.24 -0.75 -5.08 114.28 106.10 2f8b n THR 44 Ca 0.00 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 2f8b n THR 44 Cb 0.00 0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.12 3.42 0.67 3.22 0.20 -0.27 -4.98 118.68 120.82 2f8b s LEU 45 Ca 0.00 0.65 -0.02 0.00 0.69 0.00 0.00 54.13 55.45 2f8b s LEU 45 Cb 0.00 -3.08 0.08 0.00 -0.43 0.00 0.00 46.19 42.77 2f8b s LEU 45 CO 0.00 -1.89 0.94 -0.94 -0.29 0.00 0.00 176.35 174.17 2f8b s SER 46 N 5.97 4.73 0.09 3.68 1.04 -1.26 -4.41 113.70 123.54 2f8b s SER 46 Ca 0.66 -0.02 0.07 0.00 0.48 0.00 0.00 55.95 57.14 2f8b s SER 46 Cb -0.15 -0.59 -0.03 0.00 0.10 0.00 0.00 66.02 65.35 2f8b s SER 46 CO 0.27 -1.59 -0.19 0.12 0.98 0.00 0.00 173.24 172.84 2f8b s PHE 47 N -3.07 1.61 -0.35 5.02 2.19 -1.26 -5.03 117.98 117.09 2f8b s PHE 47 Ca 0.62 -0.43 0.01 0.00 0.33 0.00 0.00 56.93 57.46 2f8b s PHE 47 Cb -0.08 -0.89 0.14 0.00 -1.31 0.00 0.00 43.02 40.88 2f8b s PHE 47 CO 0.43 0.16 0.27 0.08 1.83 0.00 0.00 175.22 177.99 2f8b s VAL 48 N -1.19 -0.09 0.86 3.12 1.01 -1.26 -1.67 120.40 121.18 2f8b s VAL 48 Ca 0.04 -1.30 -0.12 0.00 0.00 0.00 0.00 61.98 60.59 2f8b s VAL 48 Cb -0.10 -0.92 0.09 0.00 0.00 0.00 0.00 36.38 35.44 2f8b s VAL 48 CO 0.04 -0.79 1.02 0.00 0.00 0.00 0.00 175.10 175.37 2f8b h PRO 50 N -1.27 0.00 0.26 0.00 0.13 -2.01 0.12 132.00 129.23 2f8b h PRO 50 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2f8b h PRO 50 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2f8b h PRO 50 CO 0.42 0.00 -0.14 2.35 -0.23 0.00 0.00 178.00 180.40 2f8b h TRP 51 N 0.00 -0.38 0.00 1.56 7.01 -1.99 -0.92 115.95 121.23 2f8b h TRP 51 Ca 0.12 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.08 2f8b h TRP 51 Cb 0.57 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.76 2f8b h TRP 51 CO 0.00 -0.22 -0.17 0.00 -2.79 0.00 0.00 178.44 175.26 2f8b h ALA 53 N 1.83 1.53 0.01 0.00 0.00 -0.65 0.26 119.26 122.23 2f8b h ALA 53 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2f8b h ALA 53 Cb 0.46 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2f8b h ALA 53 CO 0.02 0.35 -0.16 1.15 0.00 0.00 0.00 179.25 180.61 2f8b h THR 54 N 0.42 1.62 -0.06 0.00 2.02 -0.25 -3.40 112.91 113.27 2f8b h THR 54 Ca 0.10 -2.04 -0.07 0.00 0.77 0.00 0.00 66.41 65.18 2f8b h THR 54 Cb 0.22 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 2f8b h THR 54 CO 0.00 0.54 -0.22 0.78 0.37 0.00 0.00 175.52 176.99 2f8b h ASN 55 N -0.67 0.30 0.00 4.18 -0.26 -0.59 -3.51 115.58 115.03 2f8b h ASN 55 Ca -0.02 -0.63 0.00 0.00 -0.56 0.00 0.00 56.30 55.09 2f8b h ASN 55 Cb 0.98 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.15 2f8b h ASN 55 CO 0.03 0.88 0.00 1.67 -1.06 0.00 0.00 177.43 178.95