#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufi s MET 4 N 0.00 2.18 0.52 1.57 1.00 -1.26 -5.09 119.30 118.22 1ufi s MET 4 Ca 0.00 -1.96 -0.20 0.00 0.00 0.00 0.00 55.69 53.52 1ufi s MET 4 Cb 0.00 -3.66 -0.08 0.00 0.00 0.00 0.00 34.83 31.09 1ufi s MET 4 CO 0.00 -1.11 0.82 -2.30 0.00 0.00 0.00 175.02 172.43 1ufi n PRO 5 N 4.40 0.91 -3.27 2.03 -0.02 -1.26 -5.01 135.00 132.78 1ufi n PRO 5 Ca -0.01 0.34 -0.38 0.00 -2.02 0.00 0.00 63.50 61.43 1ufi n PRO 5 Cb 0.41 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 1ufi n PRO 5 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ufi s VAL 6 N -1.49 5.16 0.70 -1.45 1.01 -1.26 -5.06 120.40 118.01 1ufi s VAL 6 Ca 0.69 1.02 -0.14 0.00 0.00 0.00 0.00 61.98 63.55 1ufi s VAL 6 Cb -0.48 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1ufi s VAL 6 CO 0.53 0.30 1.14 -2.84 0.00 0.00 0.00 175.10 174.23 1ufi s PRO 7 N 0.74 2.51 0.97 2.72 0.02 -1.26 -5.02 135.00 135.68 1ufi s PRO 7 Ca 0.27 1.48 -0.11 0.00 0.02 0.00 0.00 61.00 62.66 1ufi s PRO 7 Cb -0.15 -1.91 0.17 0.00 0.02 0.00 0.00 34.50 32.63 1ufi s PRO 7 CO 0.11 -1.50 1.09 -1.54 -0.33 0.00 0.00 177.00 174.84 1ufi s SER 8 N -2.49 2.71 0.24 2.53 1.04 -1.26 -4.78 113.70 111.70 1ufi s SER 8 Ca 0.69 1.69 -0.07 0.00 0.48 0.00 0.00 55.95 58.74 1ufi s SER 8 Cb -0.23 -2.32 0.43 0.00 0.10 0.00 0.00 66.02 64.00 1ufi s SER 8 CO 0.44 -3.15 1.66 0.15 0.98 0.00 0.00 173.24 173.32 1ufi h PHE 9 N -1.90 0.10 -0.41 5.02 -0.00 -1.99 0.75 116.94 118.50 1ufi h PHE 9 Ca -0.51 0.05 -0.03 0.00 -0.00 0.00 0.00 57.97 57.48 1ufi h PHE 9 Cb 1.29 0.07 -0.02 0.00 -0.00 0.00 0.00 35.95 37.29 1ufi h PHE 9 CO 0.41 -0.16 0.16 0.78 -0.00 0.00 0.00 178.31 179.49 1ufi h GLY 10 N 0.17 0.67 0.94 2.40 0.00 -1.99 -0.26 103.07 105.01 1ufi h GLY 10 Ca 0.40 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 1ufi h GLY 10 CO -0.57 0.35 -0.13 0.83 0.00 0.00 0.00 176.54 177.02 1ufi h GLU 11 N 0.53 0.68 -0.64 4.80 5.08 -1.82 -1.04 114.58 122.17 1ufi h GLU 11 Ca 0.14 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1ufi h GLU 11 Cb 0.21 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1ufi h GLU 11 CO -0.01 0.87 0.42 0.00 -1.00 0.00 0.00 179.01 179.30 1ufi h ALA 12 N 0.79 0.81 -0.82 3.43 0.00 -0.75 -0.39 119.26 122.32 1ufi h ALA 12 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ufi h ALA 12 Cb 0.66 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1ufi h ALA 12 CO 0.04 0.23 0.44 0.52 0.00 0.00 0.00 179.25 180.49 1ufi h MET 13 N 0.86 1.15 0.21 0.00 2.86 -0.90 -0.05 114.93 119.05 1ufi h MET 13 Ca 0.24 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1ufi h MET 13 Cb -0.09 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.32 1ufi h MET 13 CO -0.06 0.85 -0.24 0.00 1.06 0.00 0.00 176.91 178.52 1ufi h ALA 14 N 1.33 -0.48 -0.63 6.32 0.00 -0.78 -0.53 119.26 124.50 1ufi h ALA 14 Ca 0.29 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1ufi h ALA 14 Cb 0.04 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1ufi h ALA 14 CO -0.04 -0.80 0.38 1.88 0.00 0.00 0.00 179.25 180.66 1ufi h TYR 15 N -0.50 0.71 -0.68 0.00 0.05 -0.81 -2.02 116.97 113.72 1ufi h TYR 15 Ca 0.00 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.74 1ufi h TYR 15 Cb 0.47 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 1ufi h TYR 15 CO -0.18 0.39 0.18 0.35 -1.05 0.00 0.00 178.16 177.85 1ufi h PHE 16 N 0.74 1.12 -0.61 4.88 3.57 -0.92 -1.53 116.94 124.19 1ufi h PHE 16 Ca 0.26 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1ufi h PHE 16 Cb 0.05 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 1ufi h PHE 16 CO -0.06 0.92 0.38 0.00 -2.23 0.00 0.00 178.31 177.32 1ufi h ALA 17 N 1.08 1.53 -0.50 2.41 0.00 -0.55 0.15 119.26 123.37 1ufi h ALA 17 Ca 0.21 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ufi h ALA 17 Cb 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ufi h ALA 17 CO 0.00 0.42 0.07 0.52 0.00 0.00 0.00 179.25 180.26 1ufi h MET 18 N 0.83 0.79 -0.33 0.00 2.86 -0.68 0.17 114.93 118.57 1ufi h MET 18 Ca 0.22 -0.18 -0.12 0.00 -2.06 0.00 0.00 59.70 57.56 1ufi h MET 18 Cb -0.06 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 1ufi h MET 18 CO -0.04 0.75 -0.25 0.28 1.06 0.00 0.00 176.91 178.71 1ufi h VAL 19 N 0.75 1.29 -0.57 -2.22 2.07 -0.28 -0.57 116.25 116.73 1ufi h VAL 19 Ca 0.16 -1.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 1ufi h VAL 19 Cb 0.35 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1ufi h VAL 19 CO 0.01 0.46 0.18 0.50 0.02 0.00 0.00 177.57 178.74 1ufi h LYS 20 N 0.53 0.88 -0.53 1.57 3.64 -0.57 -0.58 116.57 121.49 1ufi h LYS 20 Ca 0.06 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1ufi h LYS 20 Cb 0.81 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1ufi h LYS 20 CO 0.07 0.79 0.29 -0.09 -2.27 0.00 0.00 179.45 178.24 1ufi h ARG 21 N 0.79 0.72 -0.05 1.90 9.65 -0.66 0.83 114.38 127.57 1ufi h ARG 21 Ca 0.18 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 1ufi h ARG 21 Cb 0.27 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 28.70 1ufi h ARG 21 CO -0.01 0.53 0.00 -0.92 2.80 0.00 0.00 179.97 182.37 1ufi h TYR 22 N 0.73 0.10 -0.33 2.20 3.20 -0.31 -2.46 116.97 120.10 1ufi h TYR 22 Ca 0.19 -0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.92 1ufi h TYR 22 Cb 0.01 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1ufi h TYR 22 CO 0.00 0.37 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.51 1ufi h LEU 23 N -0.20 0.73 0.00 2.82 3.38 -0.51 -2.76 115.31 118.77 1ufi h LEU 23 Ca 0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1ufi h LEU 23 Cb 0.33 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ufi h LEU 23 CO 0.00 0.99 0.00 0.35 0.09 0.00 0.00 178.44 179.87 1ufi n THR 24 N -4.08 0.10 1.85 0.22 -2.24 0.23 -2.51 114.28 107.85 1ufi n THR 24 Ca -0.01 0.02 0.15 0.00 -2.27 0.00 0.00 64.05 61.94 1ufi n THR 24 Cb 0.47 -0.56 0.87 0.00 -2.10 0.00 0.00 70.33 69.01 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 -1.31 0.00 -4.55 3.42 3.41 -0.93 -4.75 113.62 108.91 1ufi n SER 25 Ca 0.12 -0.93 -0.24 0.00 -0.26 0.00 0.00 58.87 57.56 1ufi n SER 25 Cb 0.23 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.09 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 -2.00 2.50 -0.90 7.33 0.08 -1.04 -5.02 117.98 118.92 1ufi s PHE 26 Ca 0.44 -0.27 -0.07 0.00 0.12 0.00 0.00 56.93 57.14 1ufi s PHE 26 Cb 0.20 -1.12 -0.06 0.00 -0.57 0.00 0.00 43.02 41.47 1ufi s PHE 26 CO 0.34 0.64 2.09 -0.35 -0.10 0.00 0.00 175.22 177.83 1ufi n PRO 27 N -0.58 2.03 -1.92 0.24 -0.04 -1.26 -4.96 135.00 128.50 1ufi n PRO 27 Ca -0.07 -1.49 -0.38 0.00 -0.04 0.00 0.00 63.50 61.52 1ufi n PRO 27 Cb 0.59 -2.49 0.03 0.00 -0.04 0.00 0.00 33.50 31.58 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 3.55 2.38 0.00 0.52 -4.36 -1.26 -5.04 121.20 117.00 1ufi s ILE 28 Ca 0.41 0.28 0.00 0.00 -0.26 0.00 0.00 60.65 61.08 1ufi s ILE 28 Cb 0.10 -3.14 0.00 0.00 1.25 0.00 0.00 42.46 40.68 1ufi s ILE 28 CO -0.02 -0.01 0.00 -0.90 0.24 0.00 0.00 174.94 174.25 1ufi n ASP 29 N -1.04 -0.02 -0.58 4.36 5.75 -1.26 -4.90 116.55 118.87 1ufi n ASP 29 Ca 0.10 -0.12 0.10 0.00 -0.01 0.00 0.00 54.79 54.87 1ufi n ASP 29 Cb 0.46 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.58 1ufi n ASP 29 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ufi n ASP 30 N -0.39 2.17 -0.03 -1.12 8.00 -1.26 -3.25 116.55 120.67 1ufi n ASP 30 Ca 0.00 -1.58 -0.13 0.00 0.71 0.00 0.00 54.79 53.78 1ufi n ASP 30 Cb 0.00 0.34 -0.10 0.00 -0.02 0.00 0.00 41.12 41.34 1ufi n ASP 30 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1ufi h ARG 31 N 2.83 0.12 -0.43 -1.24 2.43 -1.99 -3.05 114.38 113.05 1ufi h ARG 31 Ca 0.00 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1ufi h ARG 31 Cb 0.75 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.27 1ufi h ARG 31 CO 0.00 0.66 0.19 0.28 -1.51 0.00 0.00 179.97 179.60 1ufi h VAL 32 N -0.40 0.94 -0.98 0.20 2.07 -1.94 -1.57 116.25 114.56 1ufi h VAL 32 Ca 0.00 -0.14 0.14 0.00 0.82 0.00 0.00 66.70 67.53 1ufi h VAL 32 Cb 0.66 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 30.85 1ufi h VAL 32 CO 0.02 0.07 0.62 1.56 0.02 0.00 0.00 177.57 179.86 1ufi h GLN 33 N 0.39 0.85 -0.17 1.57 1.08 -1.66 -0.17 115.11 117.01 1ufi h GLN 33 Ca 0.19 -0.05 -0.19 0.00 -1.45 0.00 0.00 58.65 57.15 1ufi h GLN 33 Cb 0.12 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1ufi h GLN 33 CO -0.15 0.57 -0.67 1.03 -0.95 0.00 0.00 178.83 178.66 1ufi h SER 34 N 0.88 0.77 -0.81 1.46 0.87 -1.28 -1.69 113.55 113.74 1ufi h SER 34 Ca 0.51 -0.46 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1ufi h SER 34 Cb 0.64 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.34 1ufi h SER 34 CO -0.28 1.23 0.36 0.45 -0.53 0.00 0.00 176.83 178.06 1ufi h HIS 35 N 0.48 1.20 0.27 2.24 3.86 -0.30 -1.93 115.15 120.96 1ufi h HIS 35 Ca -0.02 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 1ufi h HIS 35 Cb 1.26 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 29.36 1ufi h HIS 35 CO 0.06 0.88 -0.18 0.82 0.86 0.00 0.00 177.93 180.37 1ufi h ILE 36 N 1.17 0.62 -0.43 2.45 2.04 -0.79 -2.17 117.51 120.40 1ufi h ILE 36 Ca 0.28 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.22 1ufi h ILE 36 Cb 0.16 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 1ufi h ILE 36 CO -0.03 0.00 -0.00 -0.07 0.00 0.00 0.00 178.15 178.05 1ufi h LEU 37 N -0.44 -0.18 -0.32 1.44 4.07 -1.23 -0.81 115.31 117.84 1ufi h LEU 37 Ca -0.02 0.10 -0.05 0.00 0.08 0.00 0.00 57.88 57.99 1ufi h LEU 37 Cb 0.38 0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1ufi h LEU 37 CO 0.01 -0.05 -0.00 0.45 -1.08 0.00 0.00 178.44 177.76 1ufi h HIS 38 N 0.11 0.61 -0.54 1.13 3.86 -1.29 -2.02 115.15 117.00 1ufi h HIS 38 Ca 0.21 -0.11 -0.09 0.00 -1.16 0.00 0.00 60.37 59.22 1ufi h HIS 38 Cb 0.30 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1ufi h HIS 38 CO -0.28 0.69 -0.03 1.25 0.86 0.00 0.00 177.93 180.41 1ufi h LEU 39 N 0.36 0.94 -0.19 2.43 5.85 -0.71 -1.83 115.31 122.16 1ufi h LEU 39 Ca 0.09 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1ufi h LEU 39 Cb 0.44 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1ufi h LEU 39 CO 0.02 1.01 0.08 -0.08 -0.34 0.00 0.00 178.44 179.13 1ufi h GLU 40 N 0.87 0.17 -0.54 1.25 4.81 -1.16 -0.69 114.58 119.30 1ufi h GLU 40 Ca 0.15 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.48 1ufi h GLU 40 Cb 0.56 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.81 1ufi h GLU 40 CO 0.03 0.11 0.02 1.25 -0.73 0.00 0.00 179.01 179.69 1ufi h HIS 41 N 0.17 -0.01 -0.87 0.92 2.76 -1.20 -2.30 115.15 114.63 1ufi h HIS 41 Ca 0.08 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1ufi h HIS 41 Cb 0.03 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 1ufi h HIS 41 CO -0.10 -0.12 0.54 -0.44 -1.30 0.00 0.00 177.93 176.51 1ufi h ASP 42 N 0.13 1.03 -1.00 3.26 3.32 -0.55 0.55 116.42 123.16 1ufi h ASP 42 Ca 0.28 -0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.35 1ufi h ASP 42 Cb 0.43 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 39.65 1ufi h ASP 42 CO -0.44 0.77 0.64 -0.07 -1.72 0.00 0.00 179.24 178.42 1ufi h LEU 43 N 1.19 1.02 0.02 1.55 3.38 -0.59 -0.61 115.31 121.28 1ufi h LEU 43 Ca 0.31 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 1ufi h LEU 43 Cb -0.08 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.47 1ufi h LEU 43 CO -0.06 0.64 -0.21 0.58 0.09 0.00 0.00 178.44 179.48 1ufi h VAL 44 N 1.15 1.66 0.00 1.22 2.07 -0.87 -3.27 116.25 118.21 1ufi h VAL 44 Ca 0.44 -2.21 -0.18 0.00 0.82 0.00 0.00 66.70 65.57 1ufi h VAL 44 Cb 0.20 3.13 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 1ufi h VAL 44 CO -0.18 0.59 -0.83 0.45 0.02 0.00 0.00 177.57 177.63 1ufi h HIS 45 N -0.73 0.07 -0.59 1.57 3.86 -0.88 -0.36 115.15 118.09 1ufi h HIS 45 Ca -0.03 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.09 1ufi h HIS 45 Cb 1.09 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.52 1ufi h HIS 45 CO 0.23 0.85 0.19 0.28 0.86 0.00 0.00 177.93 180.33 1ufi h VAL 46 N 0.02 1.23 -0.33 2.45 2.07 -1.28 -2.68 116.25 117.72 1ufi h VAL 46 Ca -0.02 -0.77 -0.12 0.00 0.82 0.00 0.00 66.70 66.62 1ufi h VAL 46 Cb 1.45 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1ufi h VAL 46 CO 0.11 0.30 -0.24 0.74 0.02 0.00 0.00 177.57 178.50 1ufi h THR 47 N 0.86 1.29 -0.01 2.57 2.02 -1.51 -3.52 112.91 114.62 1ufi h THR 47 Ca 0.20 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1ufi h THR 47 Cb 0.25 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1ufi h THR 47 CO -0.01 0.45 0.00 -1.14 0.37 0.00 0.00 175.52 175.19