#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 2.44 0.66 -0.41 1.00 -1.26 -5.00 119.30 116.74 1ufi s MET 4 Ca 0.00 1.21 -0.17 0.00 0.00 0.00 0.00 55.69 56.73 1ufi s MET 4 Cb 0.00 -1.92 -0.00 0.00 0.00 0.00 0.00 34.83 32.91 1ufi s MET 4 CO 0.00 -1.50 1.22 -2.14 0.00 0.00 0.00 175.02 172.59 1ufi s PRO 5 N -4.71 2.57 -0.43 2.03 0.02 -1.26 -5.01 135.00 128.21 1ufi s PRO 5 Ca 0.62 1.81 -0.20 0.00 0.02 0.00 0.00 61.00 63.25 1ufi s PRO 5 Cb -0.18 -1.88 0.02 0.00 0.02 0.00 0.00 34.50 32.49 1ufi s PRO 5 CO 0.52 -1.51 0.63 0.08 -0.33 0.00 0.00 177.00 176.39 1ufi s VAL 6 N -1.76 4.85 0.72 3.83 1.01 -1.26 -5.08 120.40 122.71 1ufi s VAL 6 Ca 0.76 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.76 1ufi s VAL 6 Cb -0.30 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 31.92 1ufi s VAL 6 CO 0.39 -0.56 1.11 -2.16 0.00 0.00 0.00 175.10 173.88 1ufi s PRO 7 N 2.77 2.64 0.93 2.72 0.04 -1.26 -5.08 135.00 137.77 1ufi s PRO 7 Ca 0.22 0.35 -0.13 0.00 0.04 0.00 0.00 61.00 61.48 1ufi s PRO 7 Cb -0.14 -2.02 0.15 0.00 0.04 0.00 0.00 34.50 32.53 1ufi s PRO 7 CO 0.18 -1.15 1.15 -1.54 0.04 0.00 0.00 177.00 175.68 1ufi s SER 8 N -4.41 3.38 0.19 6.66 1.04 -1.26 -4.80 113.70 114.50 1ufi s SER 8 Ca 0.59 0.89 -0.12 0.00 0.48 0.00 0.00 55.95 57.79 1ufi s SER 8 Cb -0.11 -1.40 0.14 0.00 0.10 0.00 0.00 66.02 64.75 1ufi s SER 8 CO 0.51 -2.62 1.84 0.15 0.98 0.00 0.00 173.24 174.09 1ufi h PHE 9 N -1.55 0.74 -0.33 5.02 3.57 -1.99 0.20 116.94 122.61 1ufi h PHE 9 Ca -0.50 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 60.93 1ufi h PHE 9 Cb 1.32 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1ufi h PHE 9 CO 0.05 0.43 -0.16 0.78 -2.23 0.00 0.00 178.31 177.18 1ufi h GLY 10 N 0.78 0.75 1.00 2.40 0.00 -1.99 -1.41 103.07 104.60 1ufi h GLY 10 Ca 0.25 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1ufi h GLY 10 CO -0.09 0.62 0.07 0.83 0.00 0.00 0.00 176.54 177.96 1ufi h GLU 11 N 0.46 0.14 -0.95 4.80 5.08 -1.86 -0.94 114.58 121.31 1ufi h GLU 11 Ca 0.07 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1ufi h GLU 11 Cb 0.70 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 1ufi h GLU 11 CO 0.05 0.10 0.61 0.00 -1.00 0.00 0.00 179.01 178.77 1ufi h ALA 12 N 1.03 1.29 -0.14 3.43 0.00 -0.22 0.10 119.26 124.75 1ufi h ALA 12 Ca 0.04 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1ufi h ALA 12 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1ufi h ALA 12 CO -0.01 0.44 -0.51 0.52 0.00 0.00 0.00 179.25 179.70 1ufi h MET 13 N 1.15 0.39 -0.08 0.00 2.86 -0.90 0.15 114.93 118.49 1ufi h MET 13 Ca 0.39 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1ufi h MET 13 Cb 0.09 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1ufi h MET 13 CO -0.15 0.80 0.05 0.00 1.06 0.00 0.00 176.91 178.68 1ufi h ALA 14 N 1.16 0.11 -0.37 6.32 0.00 -0.10 -1.19 119.26 125.19 1ufi h ALA 14 Ca 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ufi h ALA 14 Cb 1.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1ufi h ALA 14 CO 0.09 -0.40 0.21 1.88 0.00 0.00 0.00 179.25 181.03 1ufi h TYR 15 N 0.10 0.39 -0.75 0.00 0.05 -0.85 -2.41 116.97 113.50 1ufi h TYR 15 Ca 0.03 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.86 1ufi h TYR 15 Cb -0.00 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 37.58 1ufi h TYR 15 CO -0.07 0.22 0.49 0.35 -1.05 0.00 0.00 178.16 178.10 1ufi h PHE 16 N 0.42 0.87 -0.92 4.88 3.04 -0.56 -0.72 116.94 123.95 1ufi h PHE 16 Ca 0.15 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.16 1ufi h PHE 16 Cb 0.03 -0.29 -0.05 0.00 2.56 0.00 0.00 35.95 38.19 1ufi h PHE 16 CO -0.08 0.50 0.60 0.00 -2.02 0.00 0.00 178.31 177.31 1ufi h ALA 17 N 1.57 1.42 -0.11 2.41 0.00 -0.74 0.29 119.26 124.10 1ufi h ALA 17 Ca 0.30 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.94 1ufi h ALA 17 Cb 0.08 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.57 1ufi h ALA 17 CO -0.09 0.48 -0.85 0.52 0.00 0.00 0.00 179.25 179.31 1ufi h MET 18 N 1.14 0.77 -0.62 0.00 2.86 -0.98 -0.52 114.93 117.58 1ufi h MET 18 Ca 0.37 -0.67 0.07 0.00 -2.06 0.00 0.00 59.70 57.41 1ufi h MET 18 Cb 0.04 0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 1ufi h MET 18 CO -0.12 1.27 0.30 0.28 1.06 0.00 0.00 176.91 179.70 1ufi h VAL 19 N 0.50 0.89 -0.50 -2.22 2.07 -0.68 -1.07 116.25 115.24 1ufi h VAL 19 Ca -0.07 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1ufi h VAL 19 Cb 1.48 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1ufi h VAL 19 CO 0.17 0.10 0.02 0.50 0.02 0.00 0.00 177.57 178.38 1ufi h LYS 20 N 0.54 0.82 -0.71 1.57 3.64 -0.72 -1.61 116.57 120.10 1ufi h LYS 20 Ca 0.29 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1ufi h LYS 20 Cb 0.26 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1ufi h LYS 20 CO -0.23 0.81 0.17 -0.09 -2.27 0.00 0.00 179.45 177.85 1ufi h ARG 21 N 0.77 1.14 0.29 1.90 2.43 -0.68 -0.42 114.38 119.81 1ufi h ARG 21 Ca 0.15 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1ufi h ARG 21 Cb 0.43 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1ufi h ARG 21 CO 0.02 1.00 -0.14 -0.92 -1.51 0.00 0.00 179.97 178.42 1ufi h TYR 22 N 1.08 -0.36 -0.23 2.20 3.20 -0.95 -2.89 116.97 119.03 1ufi h TYR 22 Ca 0.22 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1ufi h TYR 22 Cb 0.38 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1ufi h TYR 22 CO 0.03 -0.07 0.11 1.25 -1.64 0.00 0.00 178.16 177.84 1ufi h LEU 23 N -0.62 0.30 0.00 2.82 5.85 -1.16 -1.74 115.31 120.76 1ufi h LEU 23 Ca -0.04 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1ufi h LEU 23 Cb 0.45 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1ufi h LEU 23 CO 0.06 0.34 0.00 0.35 -0.34 0.00 0.00 178.44 178.86 1ufi n THR 24 N -4.84 0.00 0.76 1.05 -2.24 -0.18 -2.41 114.28 106.43 1ufi n THR 24 Ca -0.03 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 1ufi n THR 24 Cb 0.10 -0.44 0.40 0.00 -2.10 0.00 0.00 70.33 68.30 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 -0.81 0.53 -4.93 3.42 3.41 -0.65 -4.80 113.62 109.79 1ufi n SER 25 Ca 0.11 0.37 -0.22 0.00 -0.26 0.00 0.00 58.87 58.87 1ufi n SER 25 Cb 0.05 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 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 -3.07 3.38 0.16 7.33 0.40 -1.01 -5.07 117.98 120.09 1ufi s PHE 26 Ca 0.11 -0.02 -0.32 0.00 -0.60 0.00 0.00 56.93 56.10 1ufi s PHE 26 Cb 0.15 -1.54 -0.10 0.00 0.51 0.00 0.00 43.02 42.03 1ufi s PHE 26 CO 0.62 0.47 1.64 -2.14 0.70 0.00 0.00 175.22 176.50 1ufi s PRO 27 N -3.84 4.18 -0.13 0.24 0.02 -1.26 -4.98 135.00 129.23 1ufi s PRO 27 Ca 0.34 2.44 0.02 0.00 0.02 0.00 0.00 61.00 63.82 1ufi s PRO 27 Cb -0.09 -3.23 0.01 0.00 0.02 0.00 0.00 34.50 31.21 1ufi s PRO 27 CO 0.28 -0.68 -0.20 -1.50 -0.33 0.00 0.00 177.00 174.56 1ufi s ILE 28 N 1.48 1.93 0.91 2.83 2.07 -1.26 -5.06 121.20 124.09 1ufi s ILE 28 Ca 0.73 -0.90 -0.13 0.00 -1.41 0.00 0.00 60.65 58.93 1ufi s ILE 28 Cb -0.45 -1.72 0.14 0.00 0.13 0.00 0.00 42.46 40.56 1ufi s ILE 28 CO 0.32 0.53 1.18 1.51 -1.91 0.00 0.00 174.94 176.57 1ufi s ASP 29 N 0.84 3.57 0.44 4.50 -4.77 -1.26 -4.90 116.67 115.09 1ufi s ASP 29 Ca -0.07 0.75 0.19 0.00 -3.30 0.00 0.00 52.55 50.12 1ufi s ASP 29 Cb -0.15 -1.18 1.02 0.00 -1.09 0.00 0.00 42.92 41.52 1ufi s ASP 29 CO -0.02 -2.49 1.93 0.44 0.70 0.00 0.00 175.17 175.73 1ufi h ASP 30 N -1.46 0.00 -0.43 2.11 3.32 -2.00 -2.79 116.42 115.17 1ufi h ASP 30 Ca -0.48 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 1ufi h ASP 30 Cb 1.31 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 1ufi h ASP 30 CO 0.57 0.25 0.05 -0.09 -1.72 0.00 0.00 179.24 178.30 1ufi h ARG 31 N 0.00 0.72 -0.41 3.56 2.43 -1.99 -1.44 114.38 117.25 1ufi h ARG 31 Ca -0.00 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 1ufi h ARG 31 Cb 0.53 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1ufi h ARG 31 CO 0.03 0.76 0.17 0.28 -1.51 0.00 0.00 179.97 179.71 1ufi h VAL 32 N 0.57 1.19 -0.58 0.20 2.07 -1.90 -0.77 116.25 117.03 1ufi h VAL 32 Ca 0.13 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 67.14 1ufi h VAL 32 Cb 0.40 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1ufi h VAL 32 CO 0.01 0.21 0.25 -0.61 0.02 0.00 0.00 177.57 177.46 1ufi h GLN 33 N 0.52 0.45 -0.51 1.57 5.75 -1.45 -0.44 115.11 121.01 1ufi h GLN 33 Ca 0.14 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1ufi h GLN 33 Cb 0.17 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 1ufi h GLN 33 CO -0.01 0.30 0.28 1.03 -2.65 0.00 0.00 178.83 177.77 1ufi h SER 34 N 0.46 0.63 -1.00 -0.69 0.87 -0.96 -1.19 113.55 111.68 1ufi h SER 34 Ca 0.28 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1ufi h SER 34 Cb 0.29 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.04 1ufi h SER 34 CO -0.25 0.54 0.66 0.45 -0.53 0.00 0.00 176.83 177.70 1ufi h HIS 35 N 0.67 1.25 0.16 2.24 3.86 -0.50 0.90 115.15 123.73 1ufi h HIS 35 Ca 0.18 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 1ufi h HIS 35 Cb 0.05 -0.42 0.00 0.00 1.06 0.00 0.00 27.41 28.10 1ufi h HIS 35 CO -0.02 0.78 -0.08 0.82 0.86 0.00 0.00 177.93 180.29 1ufi h ILE 36 N 1.34 0.86 -0.49 2.45 2.04 -0.73 -2.35 117.51 120.63 1ufi h ILE 36 Ca 0.37 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 66.10 1ufi h ILE 36 Cb -0.13 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1ufi h ILE 36 CO -0.09 0.02 0.07 -0.07 0.00 0.00 0.00 178.15 178.08 1ufi h LEU 37 N -0.25 0.72 -0.16 1.44 3.38 -0.80 -1.63 115.31 118.01 1ufi h LEU 37 Ca -0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1ufi h LEU 37 Cb 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1ufi h LEU 37 CO 0.04 0.74 0.04 0.45 0.09 0.00 0.00 178.44 179.80 1ufi h HIS 38 N 0.73 0.28 -0.45 1.13 3.86 -0.84 -2.43 115.15 117.43 1ufi h HIS 38 Ca 0.15 -0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.25 1ufi h HIS 38 Cb 0.35 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 1ufi h HIS 38 CO 0.02 0.41 -0.05 1.25 0.86 0.00 0.00 177.93 180.42 1ufi h LEU 39 N 0.07 0.74 -0.87 2.43 5.85 -1.10 -1.48 115.31 120.94 1ufi h LEU 39 Ca 0.05 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1ufi h LEU 39 Cb 0.27 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1ufi h LEU 39 CO 0.00 0.84 0.51 -0.08 -0.34 0.00 0.00 178.44 179.36 1ufi h GLU 40 N 0.70 1.20 -0.32 1.25 4.81 -1.29 0.01 114.58 120.94 1ufi h GLU 40 Ca 0.13 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1ufi h GLU 40 Cb 0.50 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1ufi h GLU 40 CO 0.03 0.86 -0.02 1.25 -0.73 0.00 0.00 179.01 180.39 1ufi h HIS 41 N 1.21 0.63 -0.38 0.92 2.76 -1.05 -2.24 115.15 117.01 1ufi h HIS 41 Ca 0.31 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1ufi h HIS 41 Cb -0.02 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.76 1ufi h HIS 41 CO 0.00 0.72 0.18 -0.44 -1.30 0.00 0.00 177.93 177.10 1ufi h ASP 42 N 0.37 0.49 -0.82 3.26 3.32 -0.75 0.15 116.42 122.44 1ufi h ASP 42 Ca 0.09 -0.12 0.09 0.00 0.02 0.00 0.00 57.03 57.10 1ufi h ASP 42 Cb 0.48 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.84 1ufi h ASP 42 CO 0.02 0.47 0.47 -0.07 -1.72 0.00 0.00 179.24 178.42 1ufi h LEU 43 N 0.47 0.69 -0.04 1.55 3.38 -0.75 0.11 115.31 120.72 1ufi h LEU 43 Ca 0.13 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 1ufi h LEU 43 Cb 0.11 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ufi h LEU 43 CO -0.02 0.40 -0.43 0.58 0.09 0.00 0.00 178.44 179.06 1ufi h VAL 44 N 0.81 1.43 0.02 1.22 2.07 -0.78 -3.18 116.25 117.84 1ufi h VAL 44 Ca 0.39 -1.88 -0.27 0.00 0.82 0.00 0.00 66.70 65.76 1ufi h VAL 44 Cb 0.34 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 1ufi h VAL 44 CO -0.24 0.54 -1.47 0.45 0.02 0.00 0.00 177.57 176.87 1ufi h HIS 45 N -0.14 0.10 -0.85 1.57 3.86 -0.40 -0.93 115.15 118.36 1ufi h HIS 45 Ca -0.04 -0.07 0.08 0.00 -1.16 0.00 0.00 60.37 59.18 1ufi h HIS 45 Cb 1.11 -0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.51 1ufi h HIS 45 CO 0.14 1.10 0.51 0.28 0.86 0.00 0.00 177.93 180.81 1ufi h VAL 46 N 0.01 0.97 0.03 2.45 2.07 -0.95 -1.33 116.25 119.50 1ufi h VAL 46 Ca -0.20 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1ufi h VAL 46 Cb 1.94 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1ufi h VAL 46 CO 0.11 0.16 -0.01 0.74 0.02 0.00 0.00 177.57 178.59 1ufi h THR 47 N 0.89 1.20 -0.92 2.57 2.02 -1.52 -1.78 112.91 115.38 1ufi h THR 47 Ca 0.39 -0.72 0.12 0.00 0.77 0.00 0.00 66.41 66.96 1ufi h THR 47 Cb 0.28 1.69 -0.07 0.00 -1.74 0.00 0.00 68.15 68.30 1ufi h THR 47 CO -0.21 0.18 0.59 -0.09 0.37 0.00 0.00 175.52 176.36 1ufi h ARG 48 N -0.35 0.84 0.00 6.66 2.43 -0.99 -1.73 114.38 121.24 1ufi h ARG 48 Ca -0.00 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1ufi h ARG 48 Cb 0.33 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1ufi h ARG 48 CO 0.01 0.55 -0.61 0.87 -1.51 0.00 0.00 179.97 179.28 1ufi h LYS 49 N 0.86 0.00 -0.03 0.20 1.57 -1.23 -3.51 116.57 114.43 1ufi h LYS 49 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1ufi h LYS 49 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1ufi h LYS 49 CO -0.21 0.34 0.00 0.09 -0.57 0.00 0.00 179.45 179.10