#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1huc s PRO 2 N 0.00 0.45 0.20 3.23 0.04 -1.26 -4.92 135.00 132.74 1huc s PRO 2 Ca 0.00 0.81 0.23 0.00 0.04 0.00 0.00 61.00 62.07 1huc s PRO 2 Cb 0.00 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1huc s PRO 2 CO 0.00 -2.79 1.04 0.00 0.04 0.00 0.00 177.00 175.29 1huc n ALA 3 N -4.26 2.54 -2.68 8.56 0.00 -1.26 -4.80 120.51 118.61 1huc n ALA 3 Ca 0.06 -0.24 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 1huc n ALA 3 Cb 0.55 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 1huc n ALA 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1huc s SER 4 N -5.32 1.15 -0.06 0.00 1.04 -1.26 -5.16 113.70 104.09 1huc s SER 4 Ca -0.00 -0.67 -0.11 0.00 0.48 0.00 0.00 55.95 55.65 1huc s SER 4 Cb 0.10 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.26 1huc s SER 4 CO 0.79 -0.23 0.26 0.12 0.98 0.00 0.00 173.24 175.17 1huc s PHE 5 N -1.84 -0.21 -0.13 5.02 5.36 -1.26 -5.14 117.98 119.77 1huc s PHE 5 Ca -0.03 0.47 -0.04 0.00 -0.96 0.00 0.00 56.93 56.37 1huc s PHE 5 Cb -0.07 0.08 0.06 0.00 -0.34 0.00 0.00 43.02 42.75 1huc s PHE 5 CO 0.00 -0.23 0.17 0.34 -1.46 0.00 0.00 175.22 174.03 1huc s ASP 6 N -0.50 1.19 0.50 6.13 -1.08 -1.26 -5.00 116.67 116.66 1huc s ASP 6 Ca -0.06 0.02 0.34 0.00 -0.52 0.00 0.00 52.55 52.32 1huc s ASP 6 Cb -0.04 0.22 1.71 0.00 -1.46 0.00 0.00 42.92 43.36 1huc s ASP 6 CO 0.02 -0.29 2.02 0.00 0.52 0.00 0.00 175.17 177.44 1huc h ALA 7 N 8.36 1.00 0.00 3.66 0.00 -1.99 -1.33 119.26 128.96 1huc h ALA 7 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1huc h ALA 7 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1huc h ALA 7 CO 0.21 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1huc h ARG 8 N 0.00 0.00 0.00 0.00 3.08 -1.91 -2.14 114.38 113.42 1huc h ARG 8 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1huc h ARG 8 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1huc h ARG 8 CO 0.00 0.00 -1.13 0.93 -1.07 0.00 0.00 179.97 178.70 1huc h GLU 9 N 0.00 0.00 -0.53 0.04 3.07 -1.68 -3.35 114.58 112.13 1huc h GLU 9 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1huc h GLU 9 Cb 0.80 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.68 1huc h GLU 9 CO 0.00 0.82 0.29 0.37 -1.40 0.00 0.00 179.01 179.09 1huc h GLN 10 N -1.00 0.72 -2.14 2.33 5.75 -1.47 -3.30 115.11 116.00 1huc h GLN 10 Ca -0.29 -0.07 -0.57 0.00 -0.15 0.00 0.00 58.65 57.57 1huc h GLN 10 Cb 1.16 -0.15 -0.41 0.00 1.07 0.00 0.00 27.48 29.15 1huc h GLN 10 CO -0.18 0.54 -0.81 0.91 -2.65 0.00 0.00 178.83 176.65 1huc n TRP 11 N -4.40 2.31 1.53 3.99 8.01 -0.81 -4.90 117.44 123.16 1huc n TRP 11 Ca 0.05 -3.93 0.09 0.00 -1.31 0.00 0.00 57.50 52.39 1huc n TRP 11 Cb 0.10 -0.48 0.38 0.00 -2.01 0.00 0.00 31.31 29.31 1huc n TRP 11 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.69 176.33 1huc n PRO 12 N 0.70 1.42 0.00 -0.99 -0.04 -1.24 -2.39 135.00 132.45 1huc n PRO 12 Ca 0.27 -0.64 0.14 0.00 -0.04 0.00 0.00 63.50 63.24 1huc n PRO 12 Cb 0.47 -1.31 0.58 0.00 -0.04 0.00 0.00 33.50 33.20 1huc n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1huc n GLN 13 N -0.12 0.44 -3.76 0.54 0.00 -1.26 -4.60 117.38 108.62 1huc n GLN 13 Ca 0.14 -0.13 -0.34 0.00 0.00 0.00 0.00 57.00 56.66 1huc n GLN 13 Cb 0.21 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 28.85 1huc n GLN 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1huc h PRO 15 N 6.58 0.00 0.00 0.00 0.11 -1.83 -2.35 132.00 134.51 1huc h PRO 15 Ca 0.02 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 1huc h PRO 15 Cb 0.90 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1huc h PRO 15 CO 0.73 0.00 -0.28 1.79 -0.21 0.00 0.00 178.00 180.03 1huc h THR 16 N 0.00 0.59 0.00 -1.15 1.35 -1.94 -3.06 112.91 108.70 1huc h THR 16 Ca 0.04 -1.39 -0.06 0.00 -0.55 0.00 0.00 66.41 64.45 1huc h THR 16 Cb 0.36 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.72 1huc h THR 16 CO -0.00 0.27 -0.31 0.40 -0.25 0.00 0.00 175.52 175.63 1huc h ILE 17 N 0.00 1.20 -0.26 6.82 2.04 -1.78 0.21 117.51 125.73 1huc h ILE 17 Ca -0.00 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1huc h ILE 17 Cb 0.92 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1huc h ILE 17 CO 0.04 0.30 0.00 2.29 0.00 0.00 0.00 178.15 180.78 1huc n LYS 18 N -4.14 1.92 -3.30 2.37 -0.00 -1.16 -4.87 118.16 108.98 1huc n LYS 18 Ca -0.02 -1.40 -0.38 0.00 -0.00 0.00 0.00 58.31 56.51 1huc n LYS 18 Cb 0.35 -1.40 -0.06 0.00 -0.00 0.00 0.00 35.03 33.93 1huc n LYS 18 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1huc s GLU 19 N -1.66 4.29 -0.28 -1.58 2.12 0.74 -5.06 118.70 117.27 1huc s GLU 19 Ca 0.32 0.52 -0.11 0.00 0.36 0.00 0.00 54.97 56.06 1huc s GLU 19 Cb 0.18 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 31.12 1huc s GLU 19 CO 0.25 0.25 0.20 0.42 -0.54 0.00 0.00 175.26 175.85 1huc s ILE 20 N 0.28 5.31 0.69 -3.70 -1.09 -1.26 -5.01 121.20 116.41 1huc s ILE 20 Ca 0.27 0.19 -0.01 0.00 -2.23 0.00 0.00 60.65 58.88 1huc s ILE 20 Cb -0.16 -3.54 0.11 0.00 -1.58 0.00 0.00 42.46 37.29 1huc s ILE 20 CO 0.12 0.25 0.95 -0.13 -1.23 0.00 0.00 174.94 174.91 1huc s ARG 21 N 1.74 1.86 -0.17 2.79 0.52 -1.26 -5.14 118.95 119.28 1huc s ARG 21 Ca 0.07 -1.01 0.01 0.00 -0.52 0.00 0.00 55.73 54.28 1huc s ARG 21 Cb -0.16 -2.35 0.03 0.00 0.52 0.00 0.00 34.95 32.99 1huc s ARG 21 CO 0.11 -1.30 -0.13 0.34 0.02 0.00 0.00 175.30 174.34 1huc s ASP 22 N -4.67 3.06 0.00 0.23 -1.08 -1.26 -5.03 116.67 107.92 1huc s ASP 22 Ca 0.64 -0.69 0.30 0.00 -0.52 0.00 0.00 52.55 52.28 1huc s ASP 22 Cb -0.06 -1.22 1.43 0.00 -1.46 0.00 0.00 42.92 41.61 1huc s ASP 22 CO 0.43 -0.10 2.00 0.00 0.52 0.00 0.00 175.17 178.02 1huc n GLN 23 N 4.72 0.49 0.00 4.34 10.64 -1.26 -5.04 117.38 131.28 1huc n GLN 23 Ca -0.16 -0.06 0.00 0.00 -1.83 0.00 0.00 57.00 54.95 1huc n GLN 23 Cb 0.48 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.36 1huc n GLN 23 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1huc n GLY 24 N 1.28 0.89 2.71 2.61 0.00 -1.26 -3.92 105.19 107.51 1huc n GLY 24 Ca 0.14 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1huc n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1huc n SER 25 N -3.51 5.21 -3.64 1.61 7.64 -1.26 -4.80 113.62 114.87 1huc n SER 25 Ca 0.00 -2.94 -0.08 0.00 1.01 0.00 0.00 58.87 56.86 1huc n SER 25 Cb 0.00 -1.56 -0.07 0.00 -1.01 0.00 0.00 64.21 61.57 1huc n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1huc n GLY 27 N 3.93 4.08 0.20 0.00 0.00 -1.26 -4.56 105.19 107.57 1huc n GLY 27 Ca -0.19 -1.49 0.14 0.00 0.00 0.00 0.00 46.02 44.48 1huc n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1huc n SER 28 N 3.18 0.76 -0.51 1.61 3.41 -1.26 -4.61 113.62 116.19 1huc n SER 28 Ca 0.70 -0.82 0.42 0.00 -0.26 0.00 0.00 58.87 58.90 1huc n SER 28 Cb 0.37 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.04 1huc n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1huc h TRP 30 N 0.05 0.53 0.14 0.00 5.08 -2.00 -1.23 115.95 118.52 1huc h TRP 30 Ca 0.83 0.01 -0.31 0.00 1.08 0.00 0.00 58.89 60.50 1huc h TRP 30 Cb 2.89 -0.17 -0.00 0.00 -3.00 0.00 0.00 29.16 28.88 1huc h TRP 30 CO -0.00 0.26 -1.57 0.00 -1.28 0.00 0.00 178.44 175.86 1huc h ALA 31 N 1.68 0.23 0.32 0.11 0.00 -0.72 -3.27 119.26 117.62 1huc h ALA 31 Ca 0.28 -1.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.07 1huc h ALA 31 Cb 0.43 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1huc h ALA 31 CO -0.08 1.10 -0.16 0.74 0.00 0.00 0.00 179.25 180.85 1huc h PHE 32 N 0.08 -0.40 -0.20 0.00 0.04 -1.29 0.20 116.94 115.36 1huc h PHE 32 Ca -0.26 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.54 1huc h PHE 32 Cb 2.04 0.13 -0.07 0.00 2.20 0.00 0.00 35.95 40.25 1huc h PHE 32 CO 0.07 -0.12 -0.49 0.78 -0.60 0.00 0.00 178.31 177.96 1huc h GLY 33 N -0.67 -0.88 -0.17 -1.45 0.00 -1.42 -0.35 103.07 98.13 1huc h GLY 33 Ca -0.04 0.62 0.03 0.00 0.00 0.00 0.00 47.33 47.93 1huc h GLY 33 CO 0.07 -0.20 -0.54 0.00 0.00 0.00 0.00 176.54 175.87 1huc h ALA 34 N -0.03 -0.88 0.00 3.60 0.00 -1.64 -1.71 119.26 118.60 1huc h ALA 34 Ca 0.07 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1huc h ALA 34 Cb 0.65 1.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1huc h ALA 34 CO -0.46 -1.09 -0.51 -0.39 0.00 0.00 0.00 179.25 176.80 1huc h VAL 35 N -0.55 1.15 -0.10 0.00 -1.51 -0.16 -1.94 116.25 113.12 1huc h VAL 35 Ca 0.04 -1.88 -0.15 0.00 -1.23 0.00 0.00 66.70 63.48 1huc h VAL 35 Cb 0.66 2.08 0.01 0.00 -2.13 0.00 0.00 31.29 31.91 1huc h VAL 35 CO -0.46 0.50 -0.53 -0.33 -1.23 0.00 0.00 177.57 175.52 1huc h GLU 36 N 0.00 0.54 -0.40 5.19 5.08 -0.99 0.16 114.58 124.15 1huc h GLU 36 Ca -0.01 -0.44 -0.08 0.00 -1.00 0.00 0.00 59.36 57.84 1huc h GLU 36 Cb 1.04 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1huc h GLU 36 CO 0.07 1.07 -0.06 0.00 -1.00 0.00 0.00 179.01 179.08 1huc h ALA 37 N 0.47 1.14 -0.24 3.43 0.00 -1.34 -2.31 119.26 120.42 1huc h ALA 37 Ca -0.04 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1huc h ALA 37 Cb 1.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1huc h ALA 37 CO 0.11 0.55 -0.39 0.82 0.00 0.00 0.00 179.25 180.34 1huc h ILE 38 N 0.63 1.30 -0.51 0.00 2.04 -1.26 -1.53 117.51 118.17 1huc h ILE 38 Ca 0.12 -1.54 -0.08 0.00 1.00 0.00 0.00 64.86 64.36 1huc h ILE 38 Cb 0.48 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1huc h ILE 38 CO 0.03 0.49 0.02 0.28 0.00 0.00 0.00 178.15 178.96 1huc h SER 39 N 0.46 0.86 0.09 1.72 0.02 -0.15 -2.54 113.55 114.00 1huc h SER 39 Ca 0.04 -0.30 0.02 0.00 -0.84 0.00 0.00 61.79 60.72 1huc h SER 39 Cb 0.88 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.14 1huc h SER 39 CO 0.08 0.95 -0.40 0.44 -1.14 0.00 0.00 176.83 176.75 1huc h ASP 40 N 0.75 -1.19 0.55 3.07 3.32 -1.20 -2.85 116.42 118.88 1huc h ASP 40 Ca 0.15 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 1huc h ASP 40 Cb 0.49 0.45 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 1huc h ASP 40 CO 0.02 -0.47 -0.09 0.03 -1.72 0.00 0.00 179.24 177.02 1huc h ARG 41 N -0.61 0.00 -0.45 3.56 3.08 -1.14 -0.91 114.38 117.91 1huc h ARG 41 Ca 0.03 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1huc h ARG 41 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1huc h ARG 41 CO -0.25 0.09 -0.12 0.82 -1.07 0.00 0.00 179.97 179.44 1huc h ILE 42 N 0.00 1.26 0.15 2.04 2.04 -1.21 -0.41 117.51 121.38 1huc h ILE 42 Ca -0.00 -1.19 -0.31 0.00 1.00 0.00 0.00 64.86 64.36 1huc h ILE 42 Cb 0.39 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1huc h ILE 42 CO 0.01 0.41 -1.50 0.00 0.00 0.00 0.00 178.15 177.07 1huc h ILE 44 N 0.09 1.24 -0.53 0.00 2.04 -1.17 -1.60 117.51 117.56 1huc h ILE 44 Ca -0.24 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1huc h ILE 44 Cb 2.04 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1huc h ILE 44 CO 0.19 0.33 0.00 1.41 0.00 0.00 0.00 178.15 180.08 1huc n HIS 45 N -4.25 0.71 -2.66 1.37 8.25 -0.17 -4.91 115.22 113.57 1huc n HIS 45 Ca 0.04 -0.36 -0.43 0.00 -0.26 0.00 0.00 57.72 56.71 1huc n HIS 45 Cb 0.26 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 1huc n HIS 45 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1huc s THR 46 N -1.29 4.20 -1.73 1.59 -1.32 -0.61 -5.04 115.64 111.44 1huc s THR 46 Ca 0.37 0.91 0.00 0.00 -1.21 0.00 0.00 61.69 61.76 1huc s THR 46 Cb 0.19 -4.62 0.00 0.00 -1.51 0.00 0.00 72.50 66.57 1huc s THR 46 CO 0.25 -1.12 0.43 -0.46 -2.21 0.00 0.00 174.62 171.52