#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufi n HIS 3 N 0.00 0.00 -1.88 7.33 -0.00 -1.26 -4.91 115.22 114.51 1ufi n HIS 3 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 1ufi n HIS 3 Cb 0.00 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.99 29.80 1ufi n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1ufi s MET 4 N -2.45 4.18 0.43 -0.41 1.00 -1.26 -4.93 119.30 115.87 1ufi s MET 4 Ca 0.29 2.39 -0.25 0.00 0.00 0.00 0.00 55.69 58.11 1ufi s MET 4 Cb 0.20 -3.69 -0.08 0.00 0.00 0.00 0.00 34.83 31.26 1ufi s MET 4 CO 0.48 -0.79 1.32 -1.25 0.00 0.00 0.00 175.02 174.78 1ufi s PRO 5 N 2.97 3.82 -0.33 2.03 0.05 -1.26 -4.97 135.00 137.31 1ufi s PRO 5 Ca 0.76 2.19 -0.25 0.00 0.05 0.00 0.00 61.00 63.76 1ufi s PRO 5 Cb -0.40 -2.67 0.01 0.00 0.05 0.00 0.00 34.50 31.49 1ufi s PRO 5 CO 0.34 -0.63 0.87 0.08 0.05 0.00 0.00 177.00 177.71 1ufi s VAL 6 N -1.27 4.69 0.83 -0.36 1.01 -1.26 -5.04 120.40 118.99 1ufi s VAL 6 Ca 0.59 1.25 -0.11 0.00 0.00 0.00 0.00 61.98 63.71 1ufi s VAL 6 Cb -0.39 -4.25 0.10 0.00 0.00 0.00 0.00 36.38 31.84 1ufi s VAL 6 CO 0.49 -0.38 1.15 -2.84 0.00 0.00 0.00 175.10 173.52 1ufi s PRO 7 N 3.22 1.60 0.89 2.72 0.02 -1.26 -5.04 135.00 137.16 1ufi s PRO 7 Ca 0.36 1.51 -0.12 0.00 0.02 0.00 0.00 61.00 62.77 1ufi s PRO 7 Cb -0.13 -1.80 0.13 0.00 0.02 0.00 0.00 34.50 32.72 1ufi s PRO 7 CO 0.15 -2.19 1.10 -1.54 -0.33 0.00 0.00 177.00 174.19 1ufi s SER 8 N -2.68 3.59 0.14 2.53 1.04 -1.26 -4.84 113.70 112.22 1ufi s SER 8 Ca 0.67 1.27 -0.17 0.00 0.48 0.00 0.00 55.95 58.20 1ufi s SER 8 Cb -0.23 -1.94 0.02 0.00 0.10 0.00 0.00 66.02 63.97 1ufi s SER 8 CO 0.54 -2.54 1.76 0.15 0.98 0.00 0.00 173.24 174.13 1ufi h PHE 9 N -1.48 0.24 -0.55 5.02 3.57 -1.99 0.53 116.94 122.27 1ufi h PHE 9 Ca -0.50 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 60.93 1ufi h PHE 9 Cb 1.30 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1ufi h PHE 9 CO 0.38 0.12 0.01 0.78 -2.23 0.00 0.00 178.31 177.37 1ufi h GLY 10 N 0.28 1.05 0.92 2.40 0.00 -1.99 -0.63 103.07 105.10 1ufi h GLY 10 Ca 0.14 -0.77 0.02 0.00 0.00 0.00 0.00 47.33 46.71 1ufi h GLY 10 CO -0.12 0.71 0.28 0.83 0.00 0.00 0.00 176.54 178.24 1ufi h GLU 11 N 0.85 0.55 -0.82 4.80 5.08 -1.88 -1.89 114.58 121.27 1ufi h GLU 11 Ca 0.16 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1ufi h GLU 11 Cb 0.53 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1ufi h GLU 11 CO 0.03 0.36 0.47 0.00 -1.00 0.00 0.00 179.01 178.86 1ufi h ALA 12 N 1.20 1.27 -0.27 3.43 0.00 -0.33 -0.17 119.26 124.37 1ufi h ALA 12 Ca 0.18 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1ufi h ALA 12 Cb -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1ufi h ALA 12 CO -0.07 0.60 -0.32 0.52 0.00 0.00 0.00 179.25 179.98 1ufi h MET 13 N 1.15 0.58 -0.63 0.00 2.86 -0.91 0.13 114.93 118.10 1ufi h MET 13 Ca 0.29 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 1ufi h MET 13 Cb 0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1ufi h MET 13 CO -0.05 0.83 0.12 0.00 1.06 0.00 0.00 176.91 178.87 1ufi h ALA 14 N 1.15 0.83 -0.29 6.32 0.00 -0.51 -1.27 119.26 125.50 1ufi h ALA 14 Ca 0.06 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1ufi h ALA 14 Cb 0.80 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ufi h ALA 14 CO 0.07 0.57 -0.17 1.88 0.00 0.00 0.00 179.25 181.60 1ufi h TYR 15 N 0.94 0.72 -0.91 0.00 0.05 -0.83 -2.68 116.97 114.27 1ufi h TYR 15 Ca 0.19 -0.19 0.11 0.00 0.05 0.00 0.00 58.73 58.90 1ufi h TYR 15 Cb 0.40 -0.16 -0.08 0.00 1.01 0.00 0.00 36.73 37.90 1ufi h TYR 15 CO 0.03 0.87 0.54 0.35 -1.05 0.00 0.00 178.16 178.90 1ufi h PHE 16 N 0.37 0.97 -0.66 4.88 3.04 -0.62 -0.49 116.94 124.43 1ufi h PHE 16 Ca 0.06 0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.11 1ufi h PHE 16 Cb 0.70 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 38.87 1ufi h PHE 16 CO 0.06 0.37 0.43 0.00 -2.02 0.00 0.00 178.31 177.15 1ufi h ALA 17 N 1.51 1.81 -0.17 2.41 0.00 -0.92 0.60 119.26 124.50 1ufi h ALA 17 Ca 0.45 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.16 1ufi h ALA 17 Cb 0.47 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ufi h ALA 17 CO -0.27 0.07 -0.63 0.52 0.00 0.00 0.00 179.25 178.94 1ufi h MET 18 N 0.62 0.61 -0.17 0.00 2.86 -0.80 -1.39 114.93 116.65 1ufi h MET 18 Ca 0.29 -0.43 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1ufi h MET 18 Cb 0.34 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1ufi h MET 18 CO -0.09 1.05 0.06 0.28 1.06 0.00 0.00 176.91 179.27 1ufi h VAL 19 N 0.45 0.97 -0.84 -2.22 2.07 -0.63 -0.88 116.25 115.16 1ufi h VAL 19 Ca -0.01 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1ufi h VAL 19 Cb 1.21 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1ufi h VAL 19 CO 0.12 0.03 0.47 0.11 0.02 0.00 0.00 177.57 178.32 1ufi h LYS 20 N 0.14 1.17 -0.89 1.57 1.57 -0.79 -1.08 116.57 118.26 1ufi h LYS 20 Ca 0.07 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1ufi h LYS 20 Cb 0.04 -0.23 -0.06 0.00 0.08 0.00 0.00 32.23 32.06 1ufi h LYS 20 CO -0.07 0.85 0.57 -0.09 -0.57 0.00 0.00 179.45 180.14 1ufi h ARG 21 N 1.17 1.05 0.08 3.15 2.43 -0.85 -0.90 114.38 120.50 1ufi h ARG 21 Ca 0.30 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1ufi h ARG 21 Cb 0.02 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1ufi h ARG 21 CO -0.05 0.69 -0.04 -0.92 -1.51 0.00 0.00 179.97 178.15 1ufi h TYR 22 N 1.08 -0.10 -0.69 2.20 3.20 -0.43 -3.11 116.97 119.12 1ufi h TYR 22 Ca 0.37 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.23 1ufi h TYR 22 Cb 0.07 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 1ufi h TYR 22 CO -0.02 0.33 0.42 -0.07 -1.64 0.00 0.00 178.16 177.18 1ufi h LEU 23 N -0.55 0.82 -0.74 2.82 3.38 -0.85 -2.19 115.31 118.00 1ufi h LEU 23 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ufi h LEU 23 Cb 0.47 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1ufi h LEU 23 CO 0.02 0.63 0.00 0.35 0.09 0.00 0.00 178.44 179.52 1ufi n THR 24 N -4.40 0.19 1.34 0.22 -2.24 -0.38 -2.68 114.28 106.33 1ufi n THR 24 Ca 0.07 -0.24 0.13 0.00 -2.27 0.00 0.00 64.05 61.74 1ufi n THR 24 Cb 0.07 0.13 0.42 0.00 -2.10 0.00 0.00 70.33 68.85 1ufi n THR 24 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ufi n SER 25 N -0.01 1.32 -4.73 3.42 3.41 -0.82 -4.85 113.62 111.36 1ufi n SER 25 Ca 0.13 -1.21 -0.23 0.00 -0.26 0.00 0.00 58.87 57.30 1ufi n SER 25 Cb 0.22 0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 1ufi n SER 25 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ufi s PHE 26 N -2.26 2.83 -0.98 7.33 0.08 -1.09 -5.03 117.98 118.85 1ufi s PHE 26 Ca 0.30 -0.24 -0.15 0.00 0.12 0.00 0.00 56.93 56.96 1ufi s PHE 26 Cb 0.20 -1.41 -0.09 0.00 -0.57 0.00 0.00 43.02 41.15 1ufi s PHE 26 CO 0.43 0.49 2.10 -0.35 -0.10 0.00 0.00 175.22 177.79 1ufi n PRO 27 N -1.07 2.04 -2.43 0.24 -0.04 -1.26 -4.97 135.00 127.50 1ufi n PRO 27 Ca -0.06 -1.88 -0.39 0.00 -0.04 0.00 0.00 63.50 61.13 1ufi n PRO 27 Cb 0.59 -2.84 -0.04 0.00 -0.04 0.00 0.00 33.50 31.18 1ufi n PRO 27 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1ufi s ILE 28 N 4.06 3.42 0.07 0.52 -4.36 -1.26 -5.06 121.20 118.59 1ufi s ILE 28 Ca 0.51 1.32 -0.01 0.00 -0.26 0.00 0.00 60.65 62.21 1ufi s ILE 28 Cb 0.13 -3.79 0.02 0.00 1.25 0.00 0.00 42.46 40.07 1ufi s ILE 28 CO 0.03 0.23 0.09 -0.90 0.24 0.00 0.00 174.94 174.63 1ufi n ASP 29 N 0.72 -0.14 0.06 4.36 5.75 -1.26 -4.87 116.55 121.17 1ufi n ASP 29 Ca 0.01 -0.97 -0.07 0.00 -0.01 0.00 0.00 54.79 53.75 1ufi n ASP 29 Cb 0.46 -0.07 -0.11 0.00 -1.03 0.00 0.00 41.12 40.36 1ufi n ASP 29 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1ufi h ASP 30 N -0.26 0.00 0.35 -1.12 3.32 -1.99 -3.00 116.42 113.72 1ufi h ASP 30 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1ufi h ASP 30 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1ufi h ASP 30 CO 0.02 0.97 -0.22 0.03 -1.72 0.00 0.00 179.24 178.32 1ufi h ARG 31 N 0.00 -0.53 -0.35 3.56 3.08 -1.99 -0.93 114.38 117.21 1ufi h ARG 31 Ca -0.03 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.13 1ufi h ARG 31 Cb 1.77 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 31.87 1ufi h ARG 31 CO 0.12 -0.36 -0.09 0.28 -1.07 0.00 0.00 179.97 178.86 1ufi h VAL 32 N -0.55 0.65 -0.79 2.04 2.07 -1.93 0.16 116.25 117.90 1ufi h VAL 32 Ca -0.03 -0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.62 1ufi h VAL 32 Cb 0.46 0.65 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 1ufi h VAL 32 CO 0.03 0.00 0.37 1.56 0.02 0.00 0.00 177.57 179.55 1ufi h GLN 33 N 0.00 0.55 -0.15 1.57 1.08 -1.36 0.12 115.11 116.92 1ufi h GLN 33 Ca 0.17 -0.03 -0.11 0.00 -1.45 0.00 0.00 58.65 57.23 1ufi h GLN 33 Cb 0.26 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1ufi h GLN 33 CO -0.36 0.36 -0.38 0.66 -0.95 0.00 0.00 178.83 178.16 1ufi h SER 34 N 0.56 0.33 -0.04 1.46 4.64 0.09 -1.88 113.55 118.71 1ufi h SER 34 Ca 0.42 -0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 61.49 1ufi h SER 34 Cb 0.58 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1ufi h SER 34 CO -0.35 0.69 -0.33 0.45 -0.87 0.00 0.00 176.83 176.42 1ufi h HIS 35 N 0.27 0.60 -0.09 4.77 3.86 0.11 0.10 115.15 124.77 1ufi h HIS 35 Ca 0.03 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 1ufi h HIS 35 Cb 0.80 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.13 1ufi h HIS 35 CO 0.02 0.79 0.01 0.82 0.86 0.00 0.00 177.93 180.43 1ufi h ILE 36 N 0.44 1.23 -0.45 2.45 2.04 -0.76 -2.35 117.51 120.12 1ufi h ILE 36 Ca 0.05 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 1ufi h ILE 36 Cb 0.79 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1ufi h ILE 36 CO 0.06 0.20 0.14 0.25 0.00 0.00 0.00 178.15 178.81 1ufi h LEU 37 N -0.10 0.65 -0.82 1.44 6.46 -1.16 -0.91 115.31 120.87 1ufi h LEU 37 Ca 0.03 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 1ufi h LEU 37 Cb 0.31 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 1ufi h LEU 37 CO 0.00 0.68 0.46 0.45 -0.62 0.00 0.00 178.44 179.42 1ufi h HIS 38 N 0.58 1.12 -0.28 1.25 3.86 -0.74 -1.83 115.15 119.10 1ufi h HIS 38 Ca 0.14 -0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.18 1ufi h HIS 38 Cb 0.26 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 1ufi h HIS 38 CO 0.01 0.77 -0.42 1.25 0.86 0.00 0.00 177.93 180.40 1ufi h LEU 39 N 1.14 0.86 -1.15 2.43 5.85 -1.21 -2.26 115.31 120.97 1ufi h LEU 39 Ca 0.29 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1ufi h LEU 39 Cb 0.01 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 1ufi h LEU 39 CO -0.05 1.20 0.45 -0.08 -0.34 0.00 0.00 178.44 179.63 1ufi h GLU 40 N 0.54 1.03 -0.30 1.25 4.81 -1.02 -1.81 114.58 119.08 1ufi h GLU 40 Ca 0.03 -0.09 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 1ufi h GLU 40 Cb 1.02 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 1ufi h GLU 40 CO 0.10 0.73 -0.48 0.45 -0.73 0.00 0.00 179.01 179.07 1ufi h HIS 41 N 1.05 1.00 -0.79 0.92 3.86 -1.21 -2.86 115.15 117.11 1ufi h HIS 41 Ca 0.27 -0.33 0.12 0.00 -1.16 0.00 0.00 60.37 59.27 1ufi h HIS 41 Cb -0.03 -0.20 -0.06 0.00 1.06 0.00 0.00 27.41 28.18 1ufi h HIS 41 CO 0.00 1.13 0.52 -0.44 0.86 0.00 0.00 177.93 180.00 1ufi h ASP 42 N 0.64 0.57 -0.44 2.45 3.32 -1.11 -1.23 116.42 120.62 1ufi h ASP 42 Ca 0.03 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1ufi h ASP 42 Cb 1.07 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 1ufi h ASP 42 CO 0.11 0.32 0.06 -0.07 -1.72 0.00 0.00 179.24 177.94 1ufi h LEU 43 N 0.62 0.77 -0.00 1.55 3.38 -1.10 0.34 115.31 120.87 1ufi h LEU 43 Ca 0.38 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1ufi h LEU 43 Cb 0.61 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ufi h LEU 43 CO -0.15 0.79 -0.00 0.58 0.09 0.00 0.00 178.44 179.76 1ufi h VAL 44 N 0.77 1.44 -0.09 1.22 2.07 -1.33 -3.16 116.25 117.17 1ufi h VAL 44 Ca 0.16 -1.28 -0.23 0.00 0.82 0.00 0.00 66.70 66.16 1ufi h VAL 44 Cb 0.37 2.31 0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1ufi h VAL 44 CO 0.01 0.33 -0.87 0.45 0.02 0.00 0.00 177.57 177.51 1ufi h HIS 45 N -0.55 1.00 -0.96 1.57 3.86 -0.96 -1.48 115.15 117.63 1ufi h HIS 45 Ca 0.00 -0.48 0.02 0.00 -1.16 0.00 0.00 60.37 58.75 1ufi h HIS 45 Cb 0.55 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.83 1ufi h HIS 45 CO 0.12 1.31 0.63 0.28 0.86 0.00 0.00 177.93 181.13 1ufi h VAL 46 N 0.46 1.22 -0.38 2.45 2.07 -1.10 -1.11 116.25 119.85 1ufi h VAL 46 Ca -0.08 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1ufi h VAL 46 Cb 1.50 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1ufi h VAL 46 CO 0.17 0.23 0.13 0.74 0.02 0.00 0.00 177.57 178.86 1ufi h THR 47 N 1.28 1.21 -0.45 2.57 2.02 -1.43 -3.19 112.91 114.90 1ufi h THR 47 Ca 0.36 -0.67 -0.11 0.00 0.77 0.00 0.00 66.41 66.76 1ufi h THR 47 Cb -0.11 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1ufi h THR 47 CO -0.09 0.24 -0.15 0.03 0.37 0.00 0.00 175.52 175.91 1ufi h ARG 48 N 0.47 0.86 0.00 6.66 3.08 -0.92 -3.52 114.38 121.02 1ufi h ARG 48 Ca 0.12 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1ufi h ARG 48 Cb 0.24 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1ufi h ARG 48 CO -0.01 0.96 0.00 1.17 -1.07 0.00 0.00 179.97 181.02