#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 -0.03 0.00 1.61 0.01 -1.26 -4.97 113.70 109.05 2f8b s SER 2 Ca 0.00 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2f8b s SER 2 Cb 0.00 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2f8b s SER 2 CO 0.00 -1.17 0.00 1.41 0.41 0.00 0.00 173.24 173.89 2f8b n HIS 3 N -0.61 0.00 -2.10 2.43 8.25 -1.26 -4.85 115.22 117.08 2f8b n HIS 3 Ca -0.05 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.02 2f8b n HIS 3 Cb 0.60 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.70 2f8b n HIS 3 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2f8b s MET 4 N 0.00 3.93 -1.19 -0.41 -2.45 -1.26 -4.95 119.30 112.98 2f8b s MET 4 Ca 0.00 2.08 -0.20 0.00 -1.25 0.00 0.00 55.69 56.32 2f8b s MET 4 Cb 0.00 -2.70 -0.04 0.00 1.25 0.00 0.00 34.83 33.34 2f8b s MET 4 CO 0.00 -0.49 1.90 0.00 1.05 0.00 0.00 175.02 177.48 2f8b n ALA 5 N 0.03 3.05 -1.77 4.11 0.00 -1.26 -4.97 120.51 119.71 2f8b n ALA 5 Ca 0.04 -3.43 -0.39 0.00 0.00 0.00 0.00 53.44 49.66 2f8b n ALA 5 Cb 0.44 -3.55 -0.01 0.00 0.00 0.00 0.00 19.45 16.33 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 5.13 3.97 0.00 0.00 2.02 -1.26 -4.89 118.70 123.66 2f8b s GLU 6 Ca 0.59 2.14 0.00 0.00 0.02 0.00 0.00 54.97 57.72 2f8b s GLU 6 Cb 0.05 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.53 2f8b s GLU 6 CO 0.09 -0.49 1.81 -0.35 0.02 0.00 0.00 175.26 176.34 2f8b n PRO 7 N 0.12 0.95 0.00 0.39 -0.04 -1.26 -4.12 135.00 131.03 2f8b n PRO 7 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2f8b n PRO 7 Cb 0.44 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 1.43 0.00 -1.54 0.54 -0.06 -1.26 -4.31 117.38 112.18 2f8b n GLN 8 Ca 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 57.00 54.83 2f8b n GLN 8 Cb 0.47 0.00 -0.12 0.00 -4.06 0.00 0.00 30.24 26.54 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 -2.40 0.40 -4.58 3.69 0.00 -1.26 0.11 116.66 112.62 2f8b n ARG 9 Ca 0.00 -0.57 -0.27 0.00 -0.00 0.00 0.00 57.85 57.01 2f8b n ARG 9 Cb 0.00 -2.86 -0.09 0.00 0.00 0.00 0.00 32.46 29.52 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 10.27 1.88 -0.26 -0.14 3.76 -0.39 -4.92 115.29 125.49 2f8b s HIS 10 Ca 1.05 -1.10 -0.03 0.00 -0.15 0.00 0.00 55.06 54.83 2f8b s HIS 10 Cb -0.36 -1.34 0.10 0.00 1.11 0.00 0.00 32.58 32.09 2f8b s HIS 10 CO 0.24 -0.06 0.19 0.15 -0.85 0.00 0.00 174.74 174.41 2f8b s LYS 11 N -3.78 0.21 -0.60 1.40 3.01 -1.26 -0.79 119.74 117.93 2f8b s LYS 11 Ca 0.21 -0.20 -0.22 0.00 -1.01 0.00 0.00 55.97 54.76 2f8b s LYS 11 Cb 0.04 -1.12 0.07 0.00 -1.01 0.00 0.00 37.83 35.81 2f8b s LYS 11 CO 0.12 -0.90 0.85 0.42 0.51 0.00 0.00 175.35 176.35 2f8b s ILE 12 N 2.23 4.52 -0.12 2.17 1.01 0.26 -4.86 121.20 126.42 2f8b s ILE 12 Ca 0.08 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 2f8b s ILE 12 Cb -0.15 -4.56 -0.04 0.00 0.01 0.00 0.00 42.46 37.72 2f8b s ILE 12 CO -0.27 -1.23 1.62 -0.22 0.00 0.00 0.00 174.94 174.84 2f8b s LEU 13 N 3.54 4.17 0.00 2.97 0.20 -1.26 -0.06 118.68 128.23 2f8b s LEU 13 Ca 0.20 2.00 0.01 0.00 0.69 0.00 0.00 54.13 57.04 2f8b s LEU 13 Cb -0.18 -3.53 -0.00 0.00 -0.43 0.00 0.00 46.19 42.04 2f8b s LEU 13 CO 0.11 -1.02 0.05 0.00 -0.29 0.00 0.00 176.35 175.20 2f8b s VAL 15 N -2.52 3.11 0.12 0.00 -7.23 -1.26 -0.75 120.40 111.87 2f8b s VAL 15 Ca 0.07 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 57.91 2f8b s VAL 15 Cb 0.00 -2.73 -0.07 0.00 0.56 0.00 0.00 36.38 34.14 2f8b s VAL 15 CO 0.05 -0.35 1.25 0.00 -0.31 0.00 0.00 175.10 175.74 2f8b n LYS 18 N -4.54 1.13 -0.01 0.00 2.85 -1.26 -4.50 118.16 111.83 2f8b n LYS 18 Ca 0.16 -0.08 0.10 0.00 -1.05 0.00 0.00 58.31 57.43 2f8b n LYS 18 Cb 0.38 -1.26 -0.15 0.00 -0.65 0.00 0.00 35.03 33.36 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 -2.03 -3.19 -4.88 0.00 2.03 0.33 -4.94 116.55 103.87 2f8b n ASP 20 Ca -0.02 0.25 -0.34 0.00 0.52 0.00 0.00 54.79 55.20 2f8b n ASP 20 Cb 0.47 -2.82 -0.05 0.00 -0.72 0.00 0.00 41.12 38.00 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 -1.98 2.28 -0.15 0.27 0.00 -1.25 -4.73 107.32 101.76 2f8b s GLY 21 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 44.72 43.91 2f8b s GLY 21 CO 0.00 -0.33 2.02 -1.60 0.00 0.00 0.00 173.10 173.18 2f8b s ARG 22 N -1.84 3.56 -0.24 2.90 3.00 -1.26 -0.23 118.95 124.84 2f8b s ARG 22 Ca 0.30 2.11 0.00 0.00 -1.00 0.00 0.00 55.73 57.14 2f8b s ARG 22 Cb -0.13 -4.24 0.03 0.00 0.00 0.00 0.00 34.95 30.61 2f8b s ARG 22 CO 0.17 -1.60 -0.10 0.42 0.00 0.00 0.00 175.30 174.19 2f8b s ILE 23 N 6.52 2.55 -0.91 4.11 1.01 0.07 -4.91 121.20 129.65 2f8b s ILE 23 Ca 0.91 -1.19 -0.24 0.00 0.00 0.00 0.00 60.65 60.13 2f8b s ILE 23 Cb -0.34 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 39.82 2f8b s ILE 23 CO 0.36 0.18 1.61 -0.70 0.00 0.00 0.00 174.94 176.40 2f8b s GLU 24 N 1.26 3.13 -0.71 2.79 2.12 -1.26 -0.32 118.70 125.70 2f8b s GLU 24 Ca -0.02 -0.59 -0.26 0.00 0.36 0.00 0.00 54.97 54.47 2f8b s GLU 24 Cb -0.17 -5.02 -0.03 0.00 0.26 0.00 0.00 34.13 29.18 2f8b s GLU 24 CO -0.06 -2.60 1.86 -0.51 -0.54 0.00 0.00 175.26 173.41 2f8b s LEU 25 N 7.00 3.25 -0.67 2.70 1.43 0.91 -4.84 118.68 128.46 2f8b s LEU 25 Ca 0.54 -0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 53.40 2f8b s LEU 25 Cb -0.04 -2.54 0.09 0.00 0.03 0.00 0.00 46.19 43.73 2f8b s LEU 25 CO -0.01 -2.46 0.90 -0.89 0.23 0.00 0.00 176.35 174.12 2f8b s THR 26 N 9.21 4.53 -0.18 5.49 2.01 -1.26 -0.58 115.64 134.87 2f8b s THR 26 Ca 0.67 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.96 2f8b s THR 26 Cb -0.10 -4.64 0.03 0.00 0.01 0.00 0.00 72.50 67.80 2f8b s THR 26 CO 0.13 -1.36 -0.16 0.68 -0.69 0.00 0.00 174.62 173.22 2f8b s VAL 27 N 3.45 1.86 -0.54 3.82 -7.23 0.03 -4.94 120.40 116.86 2f8b s VAL 27 Ca 0.20 -0.91 -0.27 0.00 -1.81 0.00 0.00 61.98 59.19 2f8b s VAL 27 Cb -0.18 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 2f8b s VAL 27 CO 0.07 0.42 1.79 -1.61 -0.31 0.00 0.00 175.10 175.46 2f8b s GLU 28 N 1.35 2.87 -0.27 4.82 2.02 -1.26 -1.27 118.70 126.96 2f8b s GLU 28 Ca 0.03 0.78 -0.21 0.00 0.02 0.00 0.00 54.97 55.59 2f8b s GLU 28 Cb -0.14 -4.31 0.08 0.00 0.10 0.00 0.00 34.13 29.86 2f8b s GLU 28 CO -0.11 -2.44 0.72 -1.12 0.02 0.00 0.00 175.26 172.33 2f8b s SER 29 N 7.21 -0.82 0.38 -0.19 0.01 0.12 -4.83 113.70 115.58 2f8b s SER 29 Ca 0.68 1.45 -0.26 0.00 1.31 0.00 0.00 55.95 59.14 2f8b s SER 29 Cb -0.15 1.42 -0.09 0.00 0.21 0.00 0.00 66.02 67.41 2f8b s SER 29 CO 0.24 -0.24 1.15 -0.44 0.41 0.00 0.00 173.24 174.36 2f8b s SER 30 N 0.93 6.64 0.33 2.44 0.01 -1.26 -4.28 113.70 118.51 2f8b s SER 30 Ca -0.04 2.31 0.09 0.00 1.31 0.00 0.00 55.95 59.62 2f8b s SER 30 Cb -0.05 -2.61 0.86 0.00 0.21 0.00 0.00 66.02 64.43 2f8b s SER 30 CO -0.08 -0.59 1.75 0.00 0.41 0.00 0.00 173.24 174.73 2f8b h ALA 31 N 2.77 1.81 0.00 1.44 0.00 -1.93 0.37 119.26 123.73 2f8b h ALA 31 Ca -0.48 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2f8b h ALA 31 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2f8b h ALA 31 CO 0.63 -0.24 -1.18 -1.91 0.00 0.00 0.00 179.25 176.55 2f8b n GLU 32 N -4.80 0.18 0.01 0.00 2.13 -1.26 -1.11 120.64 115.80 2f8b n GLU 32 Ca 0.25 -0.04 -0.12 0.00 0.66 0.00 0.00 57.16 57.91 2f8b n GLU 32 Cb 0.70 -1.52 0.00 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 0.67 -0.62 4.31 3.58 -1.53 0.57 116.42 123.41 2f8b h ASP 33 Ca 0.00 -0.41 -0.05 0.00 0.42 0.00 0.00 57.03 56.99 2f8b h ASP 33 Cb 0.64 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 2f8b h ASP 33 CO 0.00 1.17 0.19 0.25 -2.88 0.00 0.00 179.24 177.97 2f8b h LEU 34 N 0.41 0.90 0.03 2.28 6.46 -0.27 0.28 115.31 125.39 2f8b h LEU 34 Ca -0.02 -0.21 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 2f8b h LEU 34 Cb 1.27 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.95 2f8b h LEU 34 CO 0.13 0.87 -0.11 -0.09 -0.62 0.00 0.00 178.44 178.62 2f8b h ARG 35 N 0.88 -0.20 -0.20 1.25 2.43 -1.11 0.20 114.38 117.63 2f8b h ARG 35 Ca 0.20 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2f8b h ARG 35 Cb 0.29 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2f8b h ARG 35 CO -0.01 -0.13 0.07 1.15 -1.51 0.00 0.00 179.97 179.55 2f8b h THR 36 N -0.20 0.96 0.00 0.20 2.02 -0.17 0.16 112.91 115.87 2f8b h THR 36 Ca 0.03 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 2f8b h THR 36 Cb 0.24 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2f8b h THR 36 CO -0.09 0.03 -0.24 0.17 0.37 0.00 0.00 175.52 175.76 2f8b h LEU 37 N 0.17 0.00 -0.68 2.58 8.10 -0.34 -0.26 115.31 124.88 2f8b h LEU 37 Ca 0.09 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.97 2f8b h LEU 37 Cb 0.05 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.25 2f8b h LEU 37 CO -0.09 0.24 -0.13 -0.61 -4.11 0.00 0.00 178.44 173.74 2f8b h GLN 38 N 0.00 0.88 -0.01 0.17 4.15 0.20 -1.71 115.11 118.79 2f8b h GLN 38 Ca -0.00 -0.32 -0.07 0.00 0.77 0.00 0.00 58.65 59.02 2f8b h GLN 38 Cb 0.62 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 2f8b h GLN 38 CO 0.03 0.96 -0.34 1.96 -1.93 0.00 0.00 178.83 179.52 2f8b h GLN 39 N 0.79 0.03 -0.09 1.69 1.08 0.93 0.11 115.11 119.65 2f8b h GLN 39 Ca 0.12 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2f8b h GLN 39 Cb 0.66 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.08 2f8b h GLN 39 CO 0.05 0.36 0.05 -0.07 -0.95 0.00 0.00 178.83 178.27 2f8b h LEU 40 N 0.02 0.10 -0.91 1.46 3.38 -0.74 0.22 115.31 118.84 2f8b h LEU 40 Ca 0.00 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2f8b h LEU 40 Cb 0.61 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 2f8b h LEU 40 CO 0.04 0.12 0.58 -0.26 0.09 0.00 0.00 178.44 179.01 2f8b h PHE 41 N 0.08 1.06 -0.55 1.13 0.04 -0.63 0.14 116.94 118.21 2f8b h PHE 41 Ca 0.03 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 2f8b h PHE 41 Cb 0.04 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 37.82 2f8b h PHE 41 CO -0.06 0.53 0.05 1.25 -0.60 0.00 0.00 178.31 179.49 2f8b h LEU 42 N 1.04 0.86 0.27 1.54 6.46 -0.51 -3.29 115.31 121.68 2f8b h LEU 42 Ca 0.40 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 2f8b h LEU 42 Cb 0.19 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 2f8b h LEU 42 CO -0.18 0.90 -0.13 -1.28 -0.62 0.00 0.00 178.44 177.13 2f8b h SER 43 N 0.85 -0.30 0.00 1.25 0.87 -0.01 -3.47 113.55 112.74 2f8b h SER 43 Ca 0.17 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2f8b h SER 43 Cb 0.43 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2f8b h SER 43 CO 0.01 0.06 0.00 0.35 -0.53 0.00 0.00 176.83 176.73 2f8b n THR 44 N -4.52 0.00 -3.02 2.23 -2.24 0.29 -5.09 114.28 101.94 2f8b n THR 44 Ca -0.04 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.49 2f8b n THR 44 Cb 0.14 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 -2.04 3.79 0.28 3.22 1.02 -0.02 -4.97 118.68 119.96 2f8b s LEU 45 Ca 0.00 0.60 0.03 0.00 0.02 0.00 0.00 54.13 54.79 2f8b s LEU 45 Cb 0.00 -3.50 -0.03 0.00 0.02 0.00 0.00 46.19 42.68 2f8b s LEU 45 CO 0.00 -0.49 0.24 -0.94 0.02 0.00 0.00 176.35 175.18 2f8b s SER 46 N -4.10 1.04 0.06 2.29 1.04 -1.26 -4.42 113.70 108.35 2f8b s SER 46 Ca 0.44 -1.59 0.05 0.00 0.48 0.00 0.00 55.95 55.34 2f8b s SER 46 Cb -0.10 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 2f8b s SER 46 CO 0.40 -1.00 -0.15 0.12 0.98 0.00 0.00 173.24 173.59 2f8b s PHE 47 N -3.69 1.29 -0.21 5.02 2.19 -1.26 -5.03 117.98 116.29 2f8b s PHE 47 Ca 0.39 -0.41 -0.04 0.00 0.33 0.00 0.00 56.93 57.20 2f8b s PHE 47 Cb 0.04 -0.74 0.08 0.00 -1.31 0.00 0.00 43.02 41.09 2f8b s PHE 47 CO 0.21 0.06 0.15 0.08 1.83 0.00 0.00 175.22 177.55 2f8b s VAL 48 N -1.08 -0.17 0.40 3.12 1.01 -1.26 -0.69 120.40 121.73 2f8b s VAL 48 Ca 0.00 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 61.45 2f8b s VAL 48 Cb -0.09 -0.69 -0.11 0.00 0.00 0.00 0.00 36.38 35.49 2f8b s VAL 48 CO 0.02 -0.34 1.33 0.00 0.00 0.00 0.00 175.10 176.11 2f8b h PRO 50 N 2.38 0.00 0.14 0.00 0.13 -2.01 0.81 132.00 133.46 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 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2f8b h PRO 50 CO 0.61 0.07 -0.17 2.35 -0.23 0.00 0.00 178.00 180.63 2f8b h TRP 51 N 0.00 -0.48 0.00 1.56 7.01 -1.99 -1.30 115.95 120.75 2f8b h TRP 51 Ca -0.00 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 2f8b h TRP 51 Cb 0.19 0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.44 2f8b h TRP 51 CO 0.00 -0.22 -0.08 0.00 -2.79 0.00 0.00 178.44 175.35 2f8b h ALA 53 N 1.92 0.81 0.11 0.00 0.00 -0.73 -0.35 119.26 121.02 2f8b h ALA 53 Ca -0.00 -0.34 -0.35 0.00 0.00 0.00 0.00 54.91 54.22 2f8b h ALA 53 Cb 0.39 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2f8b h ALA 53 CO 0.01 0.66 -1.89 1.15 0.00 0.00 0.00 179.25 179.18 2f8b h THR 54 N 0.90 0.72 -0.83 0.00 2.02 -0.46 -3.30 112.91 111.95 2f8b h THR 54 Ca 0.14 -2.45 -0.03 0.00 0.77 0.00 0.00 66.41 64.84 2f8b h THR 54 Cb 0.65 2.53 -0.04 0.00 -1.74 0.00 0.00 68.15 69.55 2f8b h THR 54 CO 0.04 0.81 0.39 0.78 0.37 0.00 0.00 175.52 177.92 2f8b h ASN 55 N 0.06 1.09 0.00 4.18 -0.26 -0.85 -3.51 115.58 116.30 2f8b h ASN 55 Ca -0.38 -0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.22 2f8b h ASN 55 Cb 2.04 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 39.01 2f8b h ASN 55 CO 0.10 0.93 0.00 1.67 -1.06 0.00 0.00 177.43 179.07