#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufi s VAL 6 N 0.00 4.69 0.78 0.52 1.01 -1.26 -5.02 120.40 121.12 1ufi s VAL 6 Ca 0.00 1.94 -0.15 0.00 0.00 0.00 0.00 61.98 63.78 1ufi s VAL 6 Cb 0.00 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 32.17 1ufi s VAL 6 CO 0.00 0.09 0.99 -2.65 0.00 0.00 0.00 175.10 173.53 1ufi n PRO 7 N 4.39 0.29 -1.09 2.72 -0.02 -1.26 -5.01 135.00 135.02 1ufi n PRO 7 Ca 0.08 0.16 -0.30 0.00 -2.02 0.00 0.00 63.50 61.42 1ufi n PRO 7 Cb 0.49 -2.26 0.15 0.00 -0.02 0.00 0.00 33.50 31.86 1ufi n PRO 7 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ufi s SER 8 N -1.87 3.29 0.18 2.55 1.04 -1.26 -4.82 113.70 112.82 1ufi s SER 8 Ca 0.71 1.61 -0.14 0.00 0.48 0.00 0.00 55.95 58.62 1ufi s SER 8 Cb -0.31 -2.27 0.16 0.00 0.10 0.00 0.00 66.02 63.70 1ufi s SER 8 CO 0.52 -2.77 1.71 0.15 0.98 0.00 0.00 173.24 173.83 1ufi h PHE 9 N -1.64 0.12 -0.15 5.02 3.57 -1.99 0.20 116.94 122.07 1ufi h PHE 9 Ca -0.49 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.07 1ufi h PHE 9 Cb 1.28 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 1ufi h PHE 9 CO 0.44 -0.02 -0.06 0.78 -2.23 0.00 0.00 178.31 177.22 1ufi h GLY 10 N 0.20 0.09 0.56 2.40 0.00 -1.99 -0.41 103.07 103.93 1ufi h GLY 10 Ca 0.23 0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.69 1ufi h GLY 10 CO -0.32 -0.08 0.15 0.83 0.00 0.00 0.00 176.54 177.12 1ufi h GLU 11 N -0.03 0.30 -0.56 4.80 5.08 -1.87 0.22 114.58 122.52 1ufi h GLU 11 Ca 0.08 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.53 1ufi h GLU 11 Cb 0.15 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.25 1ufi h GLU 11 CO -0.18 0.20 0.04 0.00 -1.00 0.00 0.00 179.01 178.07 1ufi h ALA 12 N 1.30 0.58 -0.32 3.43 0.00 -0.46 0.10 119.26 123.89 1ufi h ALA 12 Ca 0.21 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1ufi h ALA 12 Cb 0.22 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ufi h ALA 12 CO -0.23 -0.36 -0.21 0.52 0.00 0.00 0.00 179.25 178.97 1ufi h MET 13 N 0.16 0.61 -0.25 0.00 2.86 -0.62 -0.32 114.93 117.36 1ufi h MET 13 Ca 0.29 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1ufi h MET 13 Cb 0.44 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1ufi h MET 13 CO -0.44 0.78 0.04 0.00 1.06 0.00 0.00 176.91 178.35 1ufi h ALA 14 N 1.23 0.33 -0.49 6.32 0.00 -0.05 -0.37 119.26 126.25 1ufi h ALA 14 Ca 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1ufi h ALA 14 Cb 0.66 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1ufi h ALA 14 CO 0.05 0.01 0.21 1.88 0.00 0.00 0.00 179.25 181.40 1ufi h TYR 15 N 0.23 0.73 -0.56 0.00 0.99 -0.71 -2.16 116.97 115.49 1ufi h TYR 15 Ca 0.08 -0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 1ufi h TYR 15 Cb 0.32 -0.22 -0.03 0.00 1.00 0.00 0.00 36.73 37.80 1ufi h TYR 15 CO 0.02 0.61 0.34 0.35 -0.00 0.00 0.00 178.16 179.48 1ufi h PHE 16 N 0.65 0.73 -0.70 4.88 3.57 -1.04 -0.40 116.94 124.63 1ufi h PHE 16 Ca 0.16 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.79 1ufi h PHE 16 Cb 0.18 -0.24 -0.09 0.00 2.79 0.00 0.00 35.95 38.59 1ufi h PHE 16 CO 0.00 0.49 0.26 0.00 -2.23 0.00 0.00 178.31 176.84 1ufi h ALA 17 N 1.17 0.94 -0.17 2.41 0.00 -0.63 0.11 119.26 123.09 1ufi h ALA 17 Ca 0.20 0.11 -0.20 0.00 0.00 0.00 0.00 54.91 55.02 1ufi h ALA 17 Cb -0.03 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ufi h ALA 17 CO -0.04 -0.21 -0.68 0.52 0.00 0.00 0.00 179.25 178.84 1ufi h MET 18 N 0.42 0.68 -0.86 0.00 2.86 -1.09 0.85 114.93 117.79 1ufi h MET 18 Ca 0.37 -0.51 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1ufi h MET 18 Cb 0.53 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.23 1ufi h MET 18 CO -0.38 1.13 0.55 0.28 1.06 0.00 0.00 176.91 179.55 1ufi h VAL 19 N 0.49 1.14 -0.16 -2.22 2.07 -0.45 0.58 116.25 117.71 1ufi h VAL 19 Ca -0.02 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1ufi h VAL 19 Cb 1.28 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1ufi h VAL 19 CO 0.14 0.20 -0.08 0.50 0.02 0.00 0.00 177.57 178.34 1ufi h LYS 20 N 1.08 0.34 -0.77 1.57 3.64 -0.35 -1.46 116.57 120.62 1ufi h LYS 20 Ca 0.34 -0.15 0.11 0.00 -1.27 0.00 0.00 60.65 59.68 1ufi h LYS 20 Cb -0.00 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.73 1ufi h LYS 20 CO -0.11 0.66 0.39 0.00 -2.27 0.00 0.00 179.45 178.11 1ufi h ARG 21 N 0.01 0.61 0.66 1.90 2.47 -0.68 -0.11 114.38 119.24 1ufi h ARG 21 Ca 0.03 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1ufi h ARG 21 Cb 0.56 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 1ufi h ARG 21 CO 0.02 0.40 -0.35 -0.92 0.56 0.00 0.00 179.97 179.68 1ufi h TYR 22 N 0.62 -0.92 -0.95 3.04 3.20 -0.59 -2.74 116.97 118.64 1ufi h TYR 22 Ca 0.39 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.33 1ufi h TYR 22 Cb 0.45 0.31 -0.07 0.00 1.54 0.00 0.00 36.73 38.97 1ufi h TYR 22 CO -0.10 -0.55 0.61 1.25 -1.64 0.00 0.00 178.16 177.73 1ufi h LEU 23 N -0.94 0.92 -0.02 2.82 5.85 -0.93 -2.35 115.31 120.65 1ufi h LEU 23 Ca -0.09 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1ufi h LEU 23 Cb 0.74 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1ufi h LEU 23 CO 0.13 0.56 -0.03 0.35 -0.34 0.00 0.00 178.44 179.11 1ufi n THR 24 N -4.53 0.00 0.89 1.05 -2.24 -0.08 -2.55 114.28 106.81 1ufi n THR 24 Ca 0.16 -0.01 0.12 0.00 -2.27 0.00 0.00 64.05 62.05 1ufi n THR 24 Cb 0.26 -0.44 0.54 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.32 0.00 -4.89 3.42 3.41 -0.88 -4.75 113.62 108.62 1ufi n SER 25 Ca 0.12 0.46 -0.24 0.00 -0.26 0.00 0.00 58.87 58.95 1ufi n SER 25 Cb 0.27 -0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 63.70 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 -2.97 3.31 -0.16 7.33 0.08 -1.06 -5.08 117.98 119.44 1ufi s PHE 26 Ca 0.13 0.00 -0.29 0.00 0.12 0.00 0.00 56.93 56.89 1ufi s PHE 26 Cb 0.16 -1.55 -0.03 0.00 -0.57 0.00 0.00 43.02 41.04 1ufi s PHE 26 CO 0.45 0.50 1.50 -2.14 -0.10 0.00 0.00 175.22 175.43 1ufi s PRO 27 N -3.49 4.06 0.16 0.24 0.02 -1.26 -5.00 135.00 129.72 1ufi s PRO 27 Ca 0.33 1.79 0.10 0.00 0.02 0.00 0.00 61.00 63.25 1ufi s PRO 27 Cb -0.10 -3.93 -0.04 0.00 0.02 0.00 0.00 34.50 30.46 1ufi s PRO 27 CO 0.27 -0.97 -0.22 0.96 -0.33 0.00 0.00 177.00 176.71 1ufi s ILE 28 N 4.26 2.52 0.00 2.83 -4.36 -1.26 -5.10 121.20 120.09 1ufi s ILE 28 Ca 0.66 -1.80 0.00 0.00 -0.26 0.00 0.00 60.65 59.25 1ufi s ILE 28 Cb -0.26 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.27 1ufi s ILE 28 CO 0.24 -0.01 0.00 -0.67 0.24 0.00 0.00 174.94 174.74 1ufi n ASP 29 N 0.54 0.00 0.11 4.36 2.03 -1.26 -4.87 116.55 117.46 1ufi n ASP 29 Ca -0.15 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.14 1ufi n ASP 29 Cb 0.54 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.98 1ufi n ASP 29 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1ufi h ASP 30 N 0.00 0.00 0.16 1.67 3.32 -2.01 -1.62 116.42 117.94 1ufi h ASP 30 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1ufi h ASP 30 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ufi h ASP 30 CO 0.00 0.74 -0.08 -0.09 -1.72 0.00 0.00 179.24 178.10 1ufi h ARG 31 N 0.00 -0.20 -0.75 3.56 2.43 -1.99 0.27 114.38 117.70 1ufi h ARG 31 Ca -0.01 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1ufi h ARG 31 Cb 1.42 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.98 1ufi h ARG 31 CO 0.10 0.01 0.29 0.28 -1.51 0.00 0.00 179.97 179.13 1ufi h VAL 32 N -0.38 1.26 -0.83 0.20 2.07 -1.91 -1.46 116.25 115.20 1ufi h VAL 32 Ca -0.02 -0.82 0.09 0.00 0.82 0.00 0.00 66.70 66.77 1ufi h VAL 32 Cb 0.30 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 1ufi h VAL 32 CO 0.04 0.33 0.48 1.56 0.02 0.00 0.00 177.57 180.00 1ufi h GLN 33 N 1.08 0.80 -0.10 1.57 4.20 -1.07 -1.31 115.11 120.27 1ufi h GLN 33 Ca 0.25 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.80 1ufi h GLN 33 Cb 0.23 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1ufi h GLN 33 CO -0.02 0.53 -0.45 0.66 -0.67 0.00 0.00 178.83 178.88 1ufi h SER 34 N 0.82 0.25 -0.26 1.46 4.64 -0.38 -2.20 113.55 117.88 1ufi h SER 34 Ca 0.40 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.52 1ufi h SER 34 Cb 0.34 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1ufi h SER 34 CO -0.24 0.67 -0.12 0.45 -0.87 0.00 0.00 176.83 176.72 1ufi h HIS 35 N 0.19 0.74 0.01 4.77 3.86 -0.23 -0.88 115.15 123.61 1ufi h HIS 35 Ca 0.01 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.10 1ufi h HIS 35 Cb 0.87 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 1ufi h HIS 35 CO 0.02 0.77 -0.06 0.82 0.86 0.00 0.00 177.93 180.33 1ufi h ILE 36 N 0.61 0.84 -0.53 2.45 2.04 -0.85 -2.58 117.51 119.50 1ufi h ILE 36 Ca 0.11 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.88 1ufi h ILE 36 Cb 0.57 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1ufi h ILE 36 CO 0.04 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 178.09 1ufi h LEU 37 N -0.11 0.89 -0.24 1.44 3.38 -1.27 -0.86 115.31 118.54 1ufi h LEU 37 Ca 0.02 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1ufi h LEU 37 Cb 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ufi h LEU 37 CO -0.06 0.97 0.14 0.45 0.09 0.00 0.00 178.44 180.03 1ufi h HIS 38 N 0.84 0.27 -0.13 1.13 3.86 -1.06 -2.03 115.15 118.04 1ufi h HIS 38 Ca 0.15 0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.23 1ufi h HIS 38 Cb 0.53 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 1ufi h HIS 38 CO 0.03 0.17 -0.55 1.25 0.86 0.00 0.00 177.93 179.69 1ufi h LEU 39 N 0.30 0.41 -0.75 2.43 5.85 -1.09 -1.83 115.31 120.63 1ufi h LEU 39 Ca 0.09 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 1ufi h LEU 39 Cb -0.01 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1ufi h LEU 39 CO -0.04 0.88 0.29 -0.08 -0.34 0.00 0.00 178.44 179.15 1ufi h GLU 40 N 0.29 1.13 0.18 1.25 4.81 -0.98 -0.10 114.58 121.16 1ufi h GLU 40 Ca 0.00 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1ufi h GLU 40 Cb 1.05 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1ufi h GLU 40 CO 0.09 0.93 -0.14 1.25 -0.73 0.00 0.00 179.01 180.41 1ufi h HIS 41 N 1.08 -0.37 -0.91 0.92 2.76 -1.26 -2.68 115.15 114.69 1ufi h HIS 41 Ca 0.25 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.54 1ufi h HIS 41 Cb 0.23 0.14 -0.09 0.00 1.55 0.00 0.00 27.41 29.24 1ufi h HIS 41 CO 0.02 -0.22 0.53 -0.44 -1.30 0.00 0.00 177.93 176.52 1ufi h ASP 42 N -0.34 0.73 -0.66 3.26 3.32 -1.03 0.63 116.42 122.33 1ufi h ASP 42 Ca -0.01 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1ufi h ASP 42 Cb 0.30 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1ufi h ASP 42 CO -0.01 0.36 0.33 -0.07 -1.72 0.00 0.00 179.24 178.13 1ufi h LEU 43 N 0.81 0.86 0.07 1.55 3.38 -0.70 -0.01 115.31 121.28 1ufi h LEU 43 Ca 0.47 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.25 1ufi h LEU 43 Cb 0.54 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1ufi h LEU 43 CO -0.30 0.73 -0.43 0.58 0.09 0.00 0.00 178.44 179.11 1ufi h VAL 44 N 0.96 1.64 0.11 1.22 2.07 -1.09 -3.25 116.25 117.90 1ufi h VAL 44 Ca 0.24 -2.43 -0.26 0.00 0.82 0.00 0.00 66.70 65.07 1ufi h VAL 44 Cb 0.09 3.27 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1ufi h VAL 44 CO -0.03 0.66 -1.18 -0.74 0.02 0.00 0.00 177.57 176.30 1ufi h HIS 45 N -0.65 0.53 -0.89 1.57 -0.00 -0.87 0.44 115.15 115.27 1ufi h HIS 45 Ca -0.07 -0.36 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 1ufi h HIS 45 Cb 1.33 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 28.66 1ufi h HIS 45 CO 0.23 1.26 0.57 0.28 -0.00 0.00 0.00 177.93 180.27 1ufi h VAL 46 N 0.11 1.24 -0.01 5.26 2.07 -1.18 0.16 116.25 123.90 1ufi h VAL 46 Ca -0.13 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1ufi h VAL 46 Cb 1.89 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1ufi h VAL 46 CO 0.20 0.24 0.00 0.74 0.02 0.00 0.00 177.57 178.76 1ufi h THR 47 N 1.21 1.21 0.12 2.57 2.02 -1.53 -1.85 112.91 116.66 1ufi h THR 47 Ca 0.32 -0.61 0.01 0.00 0.77 0.00 0.00 66.41 66.90 1ufi h THR 47 Cb -0.10 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1ufi h THR 47 CO -0.07 0.16 -0.16 -0.09 0.37 0.00 0.00 175.52 175.74 1ufi h ARG 48 N -0.24 -0.31 -0.16 6.66 2.43 -0.69 -3.06 114.38 119.01 1ufi h ARG 48 Ca 0.00 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1ufi h ARG 48 Cb 0.26 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1ufi h ARG 48 CO 0.00 -0.21 -0.04 0.87 -1.51 0.00 0.00 179.97 179.08 1ufi h LYS 49 N -0.32 -0.00 0.00 0.20 1.57 -0.71 -3.51 116.57 113.80 1ufi h LYS 49 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1ufi h LYS 49 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1ufi h LYS 49 CO -0.06 -0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.91