#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 4.45 -0.16 1.61 0.01 -1.26 -4.50 113.70 113.86 2f8b s SER 2 Ca 0.00 -0.82 0.18 0.00 1.31 0.00 0.00 55.95 56.62 2f8b s SER 2 Cb 0.00 -2.57 0.38 0.00 0.21 0.00 0.00 66.02 64.04 2f8b s SER 2 CO 0.00 -3.53 1.20 0.00 0.41 0.00 0.00 173.24 171.31 2f8b n HIS 3 N 16.42 0.04 -1.93 2.43 -0.00 -1.26 -4.89 115.22 126.02 2f8b n HIS 3 Ca 0.43 -1.31 -0.05 0.00 -0.00 0.00 0.00 57.72 56.79 2f8b n HIS 3 Cb 0.46 0.26 -0.05 0.00 -0.00 0.00 0.00 29.99 30.66 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 -0.37 0.00 -0.91 -1.40 1.56 -1.26 -4.99 117.12 109.74 2f8b n MET 4 Ca -0.04 -0.72 0.02 0.00 -0.27 0.00 0.00 57.70 56.69 2f8b n MET 4 Cb 0.90 0.41 0.01 0.00 2.15 0.00 0.00 33.22 36.69 2f8b n MET 4 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2f8b n ALA 5 N 0.00 2.16 -2.81 -5.12 0.00 -1.26 -5.10 120.51 108.38 2f8b n ALA 5 Ca -0.20 -1.60 -0.27 0.00 0.00 0.00 0.00 53.44 51.37 2f8b n ALA 5 Cb 0.61 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.05 3.50 -0.97 0.00 8.01 -1.26 -4.98 118.70 122.95 2f8b s GLU 6 Ca 0.15 -0.39 -0.07 0.00 0.01 0.00 0.00 54.97 54.67 2f8b s GLU 6 Cb 0.17 -2.88 -0.09 0.00 -4.31 0.00 0.00 34.13 27.02 2f8b s GLU 6 CO -0.07 0.44 2.52 -0.35 0.01 0.00 0.00 175.26 177.81 2f8b n PRO 7 N -0.56 2.50 0.02 0.39 -0.04 -1.26 -3.49 135.00 132.55 2f8b n PRO 7 Ca -0.05 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.85 2f8b n PRO 7 Cb 0.54 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 3.70 0.00 -1.73 0.54 3.00 -1.26 -4.03 117.38 117.60 2f8b n GLN 8 Ca 0.53 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 57.31 2f8b n GLN 8 Cb 0.27 -0.31 -0.06 0.00 0.00 0.00 0.00 30.24 30.14 2f8b n GLN 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 2f8b s ARG 9 N -2.00 1.97 0.22 -1.09 3.00 -1.23 0.11 118.95 119.94 2f8b s ARG 9 Ca 0.00 0.39 0.07 0.00 -1.00 0.00 0.00 55.73 55.19 2f8b s ARG 9 Cb 0.00 -4.82 -0.05 0.00 0.00 0.00 0.00 34.95 30.09 2f8b s ARG 9 CO 0.00 -3.93 -0.11 -1.01 0.00 0.00 0.00 175.30 170.25 2f8b s HIS 10 N 12.90 1.72 -0.32 5.12 3.76 -0.62 -4.96 115.29 132.89 2f8b s HIS 10 Ca 0.85 -0.64 -0.02 0.00 -0.15 0.00 0.00 55.06 55.10 2f8b s HIS 10 Cb -0.12 -0.87 0.11 0.00 1.11 0.00 0.00 32.58 32.82 2f8b s HIS 10 CO 0.08 0.29 0.15 0.15 -0.85 0.00 0.00 174.74 174.56 2f8b s LYS 11 N -3.69 0.46 -0.62 1.40 1.02 -1.26 -1.12 119.74 115.93 2f8b s LYS 11 Ca 0.24 -0.93 -0.22 0.00 0.02 0.00 0.00 55.97 55.08 2f8b s LYS 11 Cb 0.01 -1.46 0.07 0.00 -0.52 0.00 0.00 37.83 35.93 2f8b s LYS 11 CO 0.08 -1.06 0.88 0.42 -0.92 0.00 0.00 175.35 174.75 2f8b s ILE 12 N 1.64 4.47 -0.09 2.17 1.01 0.23 -4.83 121.20 125.80 2f8b s ILE 12 Ca 0.12 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 2f8b s ILE 12 Cb -0.18 -4.60 -0.05 0.00 0.01 0.00 0.00 42.46 37.64 2f8b s ILE 12 CO -0.23 -1.31 1.65 -0.22 0.00 0.00 0.00 174.94 174.83 2f8b s LEU 13 N 3.66 4.21 0.00 2.97 0.20 -1.26 0.06 118.68 128.51 2f8b s LEU 13 Ca 0.20 2.09 0.01 0.00 0.69 0.00 0.00 54.13 57.11 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 0.10 -1.01 0.02 0.00 -0.29 0.00 0.00 176.35 175.17 2f8b s VAL 15 N -1.82 2.00 0.05 0.00 -7.23 -1.26 -1.25 120.40 110.89 2f8b s VAL 15 Ca 0.03 -1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 57.91 2f8b s VAL 15 Cb 0.00 -1.95 -0.07 0.00 0.56 0.00 0.00 36.38 34.92 2f8b s VAL 15 CO 0.02 -0.27 1.52 0.00 -0.31 0.00 0.00 175.10 176.06 2f8b n LYS 18 N -3.47 0.82 0.00 0.00 2.85 -1.26 -4.72 118.16 112.39 2f8b n LYS 18 Ca -0.02 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.28 2f8b n LYS 18 Cb 0.18 -0.96 0.02 0.00 -0.65 0.00 0.00 35.03 33.63 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 0.29 -4.23 -4.81 0.00 2.03 0.32 -4.92 116.55 105.23 2f8b n ASP 20 Ca 0.04 0.25 -0.33 0.00 0.52 0.00 0.00 54.79 55.26 2f8b n ASP 20 Cb 0.16 -3.72 -0.05 0.00 -0.72 0.00 0.00 41.12 36.79 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 -2.15 2.41 -0.28 0.27 0.00 -1.26 -4.59 107.32 101.73 2f8b s GLY 21 Ca 0.00 0.47 -0.28 0.00 0.00 0.00 0.00 44.72 44.91 2f8b s GLY 21 CO 0.00 0.77 1.93 -1.60 0.00 0.00 0.00 173.10 174.20 2f8b s ARG 22 N -3.27 3.31 -0.30 2.90 3.00 -1.26 -0.54 118.95 122.78 2f8b s ARG 22 Ca 0.64 1.66 0.02 0.00 -1.00 0.00 0.00 55.73 57.05 2f8b s ARG 22 Cb -0.12 -4.25 0.08 0.00 0.00 0.00 0.00 34.95 30.66 2f8b s ARG 22 CO 0.17 -1.89 -0.02 0.42 0.00 0.00 0.00 175.30 173.99 2f8b s ILE 23 N 7.22 2.43 -0.99 4.11 1.01 -0.38 -4.93 121.20 129.66 2f8b s ILE 23 Ca 0.86 -1.86 -0.23 0.00 0.00 0.00 0.00 60.65 59.42 2f8b s ILE 23 Cb -0.26 -2.56 0.01 0.00 0.01 0.00 0.00 42.46 39.66 2f8b s ILE 23 CO 0.34 -0.28 1.64 -0.70 0.00 0.00 0.00 174.94 175.95 2f8b s GLU 24 N 1.06 3.22 -0.84 2.79 2.12 -1.26 -0.38 118.70 125.41 2f8b s GLU 24 Ca -0.01 -0.86 -0.25 0.00 0.36 0.00 0.00 54.97 54.22 2f8b s GLU 24 Cb -0.20 -5.26 -0.05 0.00 0.26 0.00 0.00 34.13 28.88 2f8b s GLU 24 CO -0.05 -2.65 1.97 -0.51 -0.54 0.00 0.00 175.26 173.47 2f8b s LEU 25 N 6.86 3.17 -0.48 2.70 1.43 0.11 -4.77 118.68 127.70 2f8b s LEU 25 Ca 0.55 -0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 52.98 2f8b s LEU 25 Cb -0.02 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.68 2f8b s LEU 25 CO -0.06 -2.75 0.87 -0.89 0.23 0.00 0.00 176.35 173.75 2f8b s THR 26 N 10.23 4.53 -0.12 5.49 2.01 -1.26 -0.60 115.64 135.92 2f8b s THR 26 Ca 0.71 0.47 0.01 0.00 0.31 0.00 0.00 61.69 63.19 2f8b s THR 26 Cb -0.08 -4.41 0.02 0.00 0.01 0.00 0.00 72.50 68.03 2f8b s THR 26 CO 0.04 -0.86 -0.14 0.68 -0.69 0.00 0.00 174.62 173.65 2f8b s VAL 27 N 3.60 1.46 -0.86 3.82 -7.23 -0.28 -4.99 120.40 115.91 2f8b s VAL 27 Ca 0.32 -0.59 -0.23 0.00 -1.81 0.00 0.00 61.98 59.67 2f8b s VAL 27 Cb -0.12 -1.36 0.07 0.00 0.56 0.00 0.00 36.38 35.54 2f8b s VAL 27 CO 0.23 0.44 1.24 -1.61 -0.31 0.00 0.00 175.10 175.08 2f8b s GLU 28 N 1.23 3.41 0.04 4.82 2.02 -1.26 -1.59 118.70 127.37 2f8b s GLU 28 Ca -0.02 -1.03 -0.19 0.00 0.02 0.00 0.00 54.97 53.75 2f8b s GLU 28 Cb -0.14 -4.77 0.04 0.00 0.10 0.00 0.00 34.13 29.36 2f8b s GLU 28 CO -0.05 -2.01 0.43 0.45 0.02 0.00 0.00 175.26 174.10 2f8b s SER 29 N 4.12 -0.31 0.53 -0.19 0.15 0.12 -4.82 113.70 113.29 2f8b s SER 29 Ca 0.36 0.06 -0.21 0.00 0.70 0.00 0.00 55.95 56.86 2f8b s SER 29 Cb -0.06 0.43 -0.07 0.00 -1.71 0.00 0.00 66.02 64.60 2f8b s SER 29 CO -0.00 -0.65 0.95 -1.20 1.20 0.00 0.00 173.24 173.54 2f8b n SER 30 N 0.57 0.86 -0.25 5.45 7.64 -1.26 -4.30 113.62 122.33 2f8b n SER 30 Ca -0.19 0.89 -0.01 0.00 1.01 0.00 0.00 58.87 60.57 2f8b n SER 30 Cb 0.59 -1.36 0.10 0.00 -1.01 0.00 0.00 64.21 62.54 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 0.92 0.96 -0.03 -0.43 0.00 -1.92 -0.14 119.26 118.62 2f8b h ALA 31 Ca -0.47 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 2f8b h ALA 31 Cb 1.35 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2f8b h ALA 31 CO 0.53 0.12 -0.57 0.93 0.00 0.00 0.00 179.25 180.26 2f8b h GLU 32 N 0.77 0.09 -0.05 0.00 5.08 -1.96 0.44 114.58 118.95 2f8b h GLU 32 Ca 0.31 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2f8b h GLU 32 Cb 0.16 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2f8b h GLU 32 CO -0.17 0.63 -0.03 0.22 -1.00 0.00 0.00 179.01 178.67 2f8b h ASP 33 N 0.06 0.12 -0.91 1.42 1.82 -1.69 0.15 116.42 117.38 2f8b h ASP 33 Ca -0.00 -0.41 0.09 0.00 -0.39 0.00 0.00 57.03 56.31 2f8b h ASP 33 Cb 1.03 -0.03 -0.07 0.00 0.68 0.00 0.00 39.33 40.93 2f8b h ASP 33 CO 0.08 0.50 0.56 0.25 -1.61 0.00 0.00 179.24 179.02 2f8b h LEU 34 N -0.27 0.83 -0.13 2.28 6.46 -0.93 -0.78 115.31 122.77 2f8b h LEU 34 Ca 0.01 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.76 2f8b h LEU 34 Cb 0.46 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2f8b h LEU 34 CO 0.01 0.49 -0.12 -0.09 -0.62 0.00 0.00 178.44 178.11 2f8b h ARG 35 N 0.94 0.31 -0.20 1.25 2.43 -0.78 0.29 114.38 118.62 2f8b h ARG 35 Ca 0.43 -0.16 0.05 0.00 -0.81 0.00 0.00 59.98 59.48 2f8b h ARG 35 Cb 0.33 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 2f8b h ARG 35 CO -0.23 0.70 -0.09 1.15 -1.51 0.00 0.00 179.97 179.99 2f8b h THR 36 N -0.07 0.71 -0.83 0.20 2.02 -0.33 0.18 112.91 114.79 2f8b h THR 36 Ca 0.02 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.36 2f8b h THR 36 Cb 0.63 0.71 -0.10 0.00 -1.74 0.00 0.00 68.15 67.66 2f8b h THR 36 CO 0.03 0.00 0.40 0.25 0.37 0.00 0.00 175.52 176.57 2f8b h LEU 37 N -0.06 0.44 -1.25 2.58 5.85 -0.98 -0.40 115.31 121.49 2f8b h LEU 37 Ca 0.11 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 2f8b h LEU 37 Cb 0.22 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2f8b h LEU 37 CO -0.24 0.16 -0.30 -0.61 -0.34 0.00 0.00 178.44 177.11 2f8b h GLN 38 N 0.55 0.13 -0.22 1.25 4.15 0.13 -1.12 115.11 119.98 2f8b h GLN 38 Ca 0.47 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.71 2f8b h GLN 38 Cb 0.71 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 2f8b h GLN 38 CO -0.40 0.42 -0.42 1.96 -1.93 0.00 0.00 178.83 178.46 2f8b h GLN 39 N 0.11 0.52 -0.64 1.69 1.08 0.87 0.24 115.11 118.99 2f8b h GLN 39 Ca 0.02 -0.27 0.05 0.00 -1.45 0.00 0.00 58.65 57.00 2f8b h GLN 39 Cb 0.59 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.98 2f8b h GLN 39 CO 0.04 0.85 0.36 -0.07 -0.95 0.00 0.00 178.83 179.06 2f8b h LEU 40 N 0.42 0.55 -0.64 1.46 3.38 -0.31 0.66 115.31 120.84 2f8b h LEU 40 Ca 0.03 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2f8b h LEU 40 Cb 0.92 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2f8b h LEU 40 CO 0.08 0.37 0.22 -0.26 0.09 0.00 0.00 178.44 178.94 2f8b h PHE 41 N 0.68 1.01 0.00 1.13 -1.00 -0.65 0.32 116.94 118.44 2f8b h PHE 41 Ca 0.28 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.94 2f8b h PHE 41 Cb 0.13 -0.30 -0.00 0.00 3.61 0.00 0.00 35.95 39.39 2f8b h PHE 41 CO -0.07 0.81 -0.11 -0.07 -1.61 0.00 0.00 178.31 177.26 2f8b h LEU 42 N 0.91 0.00 0.00 1.54 3.38 -0.61 -3.35 115.31 117.19 2f8b h LEU 42 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2f8b h LEU 42 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2f8b h LEU 42 CO -0.01 0.11 -0.20 -1.28 0.09 0.00 0.00 178.44 177.14 2f8b h SER 43 N 0.00 0.00 0.00 -0.43 0.87 -0.03 -3.48 113.55 110.48 2f8b h SER 43 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2f8b h SER 43 Cb 0.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2f8b h SER 43 CO 0.01 0.34 0.00 0.35 -0.53 0.00 0.00 176.83 177.00 2f8b n THR 44 N -3.36 0.00 -3.49 2.23 -2.24 0.92 -5.08 114.28 103.25 2f8b n THR 44 Ca -0.03 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 2f8b n THR 44 Cb 0.11 0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 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 0.00 4.33 0.27 3.22 1.02 0.10 -4.98 118.68 122.64 2f8b s LEU 45 Ca 0.00 0.90 0.02 0.00 0.02 0.00 0.00 54.13 55.07 2f8b s LEU 45 Cb 0.00 -3.14 -0.04 0.00 0.02 0.00 0.00 46.19 43.03 2f8b s LEU 45 CO 0.00 0.13 0.16 -0.94 0.02 0.00 0.00 176.35 175.71 2f8b s SER 46 N -1.81 1.16 0.17 2.29 1.04 -1.26 -4.42 113.70 110.87 2f8b s SER 46 Ca 0.36 -1.52 0.07 0.00 0.48 0.00 0.00 55.95 55.34 2f8b s SER 46 Cb -0.14 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 2f8b s SER 46 CO 0.19 -0.87 -0.14 0.12 0.98 0.00 0.00 173.24 173.52 2f8b s PHE 47 N -3.75 1.56 -0.23 5.02 2.19 -1.26 -5.04 117.98 116.47 2f8b s PHE 47 Ca 0.37 -0.60 -0.03 0.00 0.33 0.00 0.00 56.93 57.01 2f8b s PHE 47 Cb 0.06 -0.76 0.12 0.00 -1.31 0.00 0.00 43.02 41.13 2f8b s PHE 47 CO 0.17 0.25 0.32 0.14 1.83 0.00 0.00 175.22 177.93 2f8b s VAL 48 N -2.76 -0.50 0.90 3.12 -7.23 -1.26 -1.23 120.40 111.43 2f8b s VAL 48 Ca 0.18 -0.12 -0.10 0.00 -1.81 0.00 0.00 61.98 60.12 2f8b s VAL 48 Cb -0.02 -0.79 0.14 0.00 0.56 0.00 0.00 36.38 36.28 2f8b s VAL 48 CO 0.05 -0.18 1.14 0.00 -0.31 0.00 0.00 175.10 175.80 2f8b h PRO 50 N -1.78 0.00 -0.14 0.00 0.13 -2.02 0.14 132.00 128.33 2f8b h PRO 50 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2f8b h PRO 50 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2f8b h PRO 50 CO 0.42 0.01 0.09 2.35 -0.23 0.00 0.00 178.00 180.64 2f8b h TRP 51 N 0.00 0.18 0.00 1.56 7.01 -1.97 -0.86 115.95 121.87 2f8b h TRP 51 Ca -0.00 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 60.89 2f8b h TRP 51 Cb 0.03 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.02 2f8b h TRP 51 CO 0.00 0.13 -0.51 0.00 -2.79 0.00 0.00 178.44 175.27 2f8b h ALA 53 N 1.49 1.69 0.11 0.00 0.00 -0.58 0.04 119.26 122.00 2f8b h ALA 53 Ca -0.01 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 2f8b h ALA 53 Cb 1.03 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2f8b h ALA 53 CO 0.07 0.27 -1.34 1.15 0.00 0.00 0.00 179.25 179.40 2f8b h THR 54 N 0.63 1.07 0.00 0.00 2.02 -0.54 -3.42 112.91 112.67 2f8b h THR 54 Ca 0.19 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.97 2f8b h THR 54 Cb -0.01 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 2f8b h THR 54 CO -0.04 0.69 -0.76 0.59 0.37 0.00 0.00 175.52 176.37 2f8b n ASN 55 N -3.97 1.17 0.00 4.18 3.02 0.73 -5.10 115.26 115.30 2f8b n ASN 55 Ca -0.24 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 2f8b n ASN 55 Cb 0.88 1.14 0.00 0.00 -0.61 0.00 0.00 39.78 41.19 2f8b n ASN 55 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31