#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fkw n THR 2 N 0.00 3.02 -4.29 0.00 5.66 -1.26 -4.99 114.28 112.42 2fkw n THR 2 Ca 0.00 -0.50 -0.23 0.00 -3.05 0.00 0.00 64.05 60.27 2fkw n THR 2 Cb 0.00 -0.96 -0.07 0.00 -1.55 0.00 0.00 70.33 67.74 2fkw n THR 2 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2fkw s LEU 3 N -0.80 3.19 1.02 1.09 1.43 -1.26 -5.12 118.68 118.24 2fkw s LEU 3 Ca 0.72 -0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 2fkw s LEU 3 Cb -0.44 -1.73 0.20 0.00 0.03 0.00 0.00 46.19 44.25 2fkw s LEU 3 CO 0.51 0.01 1.08 0.42 0.23 0.00 0.00 176.35 178.60 2fkw s THR 4 N -2.25 2.22 0.23 5.49 -4.23 -1.26 -4.71 115.64 111.13 2fkw s THR 4 Ca 0.31 0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 60.83 2fkw s THR 4 Cb -0.07 -2.26 0.19 0.00 1.34 0.00 0.00 72.50 71.71 2fkw s THR 4 CO 0.20 -0.09 1.73 0.00 -0.54 0.00 0.00 174.62 175.91 2fkw h ALA 5 N -2.11 0.94 -0.01 3.99 0.00 -2.00 0.56 119.26 120.63 2fkw h ALA 5 Ca -0.53 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 2fkw h ALA 5 Cb 1.30 0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.21 2fkw h ALA 5 CO 0.50 -0.23 -0.70 1.49 0.00 0.00 0.00 179.25 180.31 2fkw h GLU 6 N 0.40 0.49 -0.24 0.00 4.81 -2.00 -2.10 114.58 115.95 2fkw h GLU 6 Ca 0.38 -0.52 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 2fkw h GLU 6 Cb 0.55 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 2fkw h GLU 6 CO -0.39 1.16 -0.14 1.96 -0.73 0.00 0.00 179.01 180.87 2fkw h GLN 7 N 0.04 0.40 -0.23 1.92 4.20 -1.85 -1.58 115.11 118.01 2fkw h GLN 7 Ca -0.09 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 2fkw h GLN 7 Cb 1.40 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 2fkw h GLN 7 CO 0.14 0.53 0.11 1.03 -0.67 0.00 0.00 178.83 179.97 2fkw h SER 8 N 0.37 0.30 -0.55 1.46 0.87 -0.75 -1.18 113.55 114.06 2fkw h SER 8 Ca 0.07 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 2fkw h SER 8 Cb 0.47 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 2fkw h SER 8 CO 0.03 0.34 0.26 -0.33 -0.53 0.00 0.00 176.83 176.60 2fkw h GLU 9 N 0.24 0.79 -0.55 2.24 4.39 -1.09 -0.39 114.58 120.21 2fkw h GLU 9 Ca 0.08 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2fkw h GLU 9 Cb 0.12 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 2fkw h GLU 9 CO -0.01 0.66 0.35 0.93 -1.16 0.00 0.00 179.01 179.77 2fkw h GLU 10 N 0.74 0.74 -0.35 2.33 5.08 -1.23 -2.45 114.58 119.44 2fkw h GLU 10 Ca 0.19 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2fkw h GLU 10 Cb 0.13 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2fkw h GLU 10 CO -0.02 0.51 0.12 1.25 -1.00 0.00 0.00 179.01 179.87 2fkw h LEU 11 N 0.74 0.49 -2.16 1.33 5.85 -0.88 -2.91 115.31 117.78 2fkw h LEU 11 Ca 0.20 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2fkw h LEU 11 Cb -0.05 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 2fkw h LEU 11 CO -0.04 0.55 -0.07 -0.74 -0.34 0.00 0.00 178.44 177.80 2fkw h HIS 12 N 0.41 0.00 -0.99 1.25 2.76 -0.74 -0.02 115.15 117.82 2fkw h HIS 12 Ca 0.11 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 2fkw h HIS 12 Cb 0.22 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.13 2fkw h HIS 12 CO 0.00 0.07 0.65 0.87 -1.30 0.00 0.00 177.93 178.22 2fkw h LYS 13 N 0.00 1.22 -0.41 5.26 6.56 -1.23 0.10 116.57 128.07 2fkw h LYS 13 Ca -0.00 -0.07 -0.12 0.00 -1.06 0.00 0.00 60.65 59.40 2fkw h LYS 13 Cb 0.18 -0.27 -0.01 0.00 -0.57 0.00 0.00 32.23 31.55 2fkw h LYS 13 CO 0.01 0.81 -0.23 1.88 -2.06 0.00 0.00 179.45 179.86 2fkw h TYR 14 N 1.25 0.94 -0.36 -1.35 -1.99 -1.09 -0.20 116.97 114.18 2fkw h TYR 14 Ca 0.39 -0.22 -0.04 0.00 2.00 0.00 0.00 58.73 60.87 2fkw h TYR 14 Cb -0.00 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.49 2fkw h TYR 14 CO -0.00 0.97 0.08 0.28 -0.00 0.00 0.00 178.16 179.49 2fkw h VAL 15 N 0.72 1.23 -0.30 -2.88 2.07 -1.01 0.70 116.25 116.78 2fkw h VAL 15 Ca 0.10 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 2fkw h VAL 15 Cb 0.76 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2fkw h VAL 15 CO 0.06 0.27 0.05 0.40 0.02 0.00 0.00 177.57 178.37 2fkw h ILE 16 N 0.43 1.23 -0.37 4.57 1.08 -0.74 -0.83 117.51 122.88 2fkw h ILE 16 Ca 0.11 -0.79 0.01 0.00 -0.39 0.00 0.00 64.86 63.80 2fkw h ILE 16 Cb 0.32 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.22 2fkw h ILE 16 CO 0.00 0.26 0.24 0.44 -0.69 0.00 0.00 178.15 178.40 2fkw h ASP 17 N 0.32 0.41 -0.69 1.72 3.32 -0.95 -1.40 116.42 119.15 2fkw h ASP 17 Ca 0.09 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2fkw h ASP 17 Cb 0.33 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2fkw h ASP 17 CO 0.01 0.30 0.39 1.23 -1.72 0.00 0.00 179.24 179.44 2fkw h GLY 18 N 0.49 1.05 1.01 2.75 0.00 -0.71 -0.63 103.07 107.04 2fkw h GLY 18 Ca 0.14 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2fkw h GLY 18 CO -0.03 0.45 0.51 -0.84 0.00 0.00 0.00 176.54 176.62 2fkw h THR 19 N 0.99 1.23 -0.33 4.70 2.02 -0.75 -0.87 112.91 119.90 2fkw h THR 19 Ca 0.25 -0.47 -0.15 0.00 0.77 0.00 0.00 66.41 66.81 2fkw h THR 19 Cb 0.03 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 2fkw h THR 19 CO -0.04 0.23 -0.39 0.03 0.37 0.00 0.00 175.52 175.72 2fkw h ARG 20 N 1.13 0.78 -0.67 6.66 3.08 -0.54 0.13 114.38 124.94 2fkw h ARG 20 Ca 0.30 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2fkw h ARG 20 Cb -0.07 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2fkw h ARG 20 CO -0.06 1.03 0.36 0.28 -1.07 0.00 0.00 179.97 180.51 2fkw h VAL 21 N 0.64 1.21 -0.30 2.04 2.07 -0.93 0.18 116.25 121.17 2fkw h VAL 21 Ca 0.05 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2fkw h VAL 21 Cb 0.94 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2fkw h VAL 21 CO 0.09 0.24 0.19 0.15 0.02 0.00 0.00 177.57 178.26 2fkw h PHE 22 N 0.92 0.37 0.05 1.57 3.57 -0.57 -1.91 116.94 120.94 2fkw h PHE 22 Ca 0.23 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.77 2fkw h PHE 22 Cb 0.06 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 2fkw h PHE 22 CO -0.00 0.23 -0.26 1.25 -2.23 0.00 0.00 178.31 177.30 2fkw h LEU 23 N 0.40 -0.74 -0.20 0.59 5.85 -0.35 -0.64 115.31 120.22 2fkw h LEU 23 Ca 0.11 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.97 2fkw h LEU 23 Cb -0.04 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2fkw h LEU 23 CO -0.03 -0.33 -0.07 1.23 -0.34 0.00 0.00 178.44 178.90 2fkw h GLY 24 N -0.42 0.11 1.57 3.75 0.00 -0.50 0.26 103.07 107.83 2fkw h GLY 24 Ca 0.05 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 2fkw h GLY 24 CO -0.19 -0.10 0.26 1.41 0.00 0.00 0.00 176.54 177.92 2fkw h LEU 25 N -0.04 0.51 -0.36 3.11 3.38 -1.18 -1.61 115.31 119.11 2fkw h LEU 25 Ca 0.10 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2fkw h LEU 25 Cb 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2fkw h LEU 25 CO -0.23 0.39 -0.02 0.00 0.09 0.00 0.00 178.44 178.67 2fkw h ALA 26 N 1.70 0.49 -0.46 1.53 0.00 0.44 -1.39 119.26 121.57 2fkw h ALA 26 Ca 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2fkw h ALA 26 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2fkw h ALA 26 CO -0.03 0.28 0.24 -0.07 0.00 0.00 0.00 179.25 179.67 2fkw h LEU 27 N 0.47 0.58 -0.29 0.00 3.38 -0.08 0.20 115.31 119.57 2fkw h LEU 27 Ca 0.10 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2fkw h LEU 27 Cb 0.50 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2fkw h LEU 27 CO 0.02 0.53 0.10 0.58 0.09 0.00 0.00 178.44 179.76 2fkw h VAL 28 N 0.60 0.92 -0.76 1.22 2.07 -1.19 0.38 116.25 119.49 2fkw h VAL 28 Ca 0.16 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2fkw h VAL 28 Cb 0.08 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2fkw h VAL 28 CO -0.02 0.04 0.42 0.00 0.02 0.00 0.00 177.57 178.03 2fkw h ALA 29 N 1.18 0.97 -0.72 1.67 0.00 -0.89 0.21 119.26 121.68 2fkw h ALA 29 Ca 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2fkw h ALA 29 Cb 0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2fkw h ALA 29 CO -0.13 0.48 0.22 0.45 0.00 0.00 0.00 179.25 180.27 2fkw h HIS 30 N 1.05 1.17 0.06 0.00 -0.00 -0.16 0.51 115.15 117.77 2fkw h HIS 30 Ca 0.27 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 2fkw h HIS 30 Cb 0.03 -0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 27.10 2fkw h HIS 30 CO -0.00 0.93 -0.05 0.35 -0.00 0.00 0.00 177.93 179.16 2fkw h PHE 31 N 1.07 -0.12 -0.57 2.45 3.57 -0.32 0.13 116.94 123.15 2fkw h PHE 31 Ca 0.23 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.77 2fkw h PHE 31 Cb 0.31 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 2fkw h PHE 31 CO 0.03 -0.08 0.38 -0.07 -2.23 0.00 0.00 178.31 176.34 2fkw h LEU 32 N -0.11 0.56 -0.23 0.59 3.38 -0.22 -0.32 115.31 118.96 2fkw h LEU 32 Ca 0.00 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 2fkw h LEU 32 Cb 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2fkw h LEU 32 CO -0.01 0.38 -0.86 0.00 0.09 0.00 0.00 178.44 178.04 2fkw h ALA 33 N 1.67 0.41 -0.20 1.53 0.00 -0.33 -0.44 119.26 121.90 2fkw h ALA 33 Ca 0.23 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2fkw h ALA 33 Cb 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2fkw h ALA 33 CO -0.06 0.77 0.10 0.35 0.00 0.00 0.00 179.25 180.40 2fkw h PHE 34 N 0.31 0.18 -0.51 0.00 3.57 0.04 -2.18 116.94 118.35 2fkw h PHE 34 Ca -0.06 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.36 2fkw h PHE 34 Cb 1.48 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.15 2fkw h PHE 34 CO 0.06 0.10 -0.00 0.77 -2.23 0.00 0.00 178.31 177.02 2fkw h SER 35 N 0.21 0.88 -0.06 0.41 0.02 -0.96 -3.28 113.55 110.77 2fkw h SER 35 Ca 0.08 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2fkw h SER 35 Cb 0.02 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2fkw h SER 35 CO -0.05 0.97 0.00 0.00 -1.14 0.00 0.00 176.83 176.61 2fkw n ALA 36 N -2.44 2.46 -2.72 3.77 0.00 -0.18 -4.99 120.51 116.41 2fkw n ALA 36 Ca 0.01 -0.71 -0.15 0.00 0.00 0.00 0.00 53.44 52.59 2fkw n ALA 36 Cb 0.32 -0.83 -0.11 0.00 0.00 0.00 0.00 19.45 18.83 2fkw n ALA 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2fkw s THR 37 N -1.95 0.79 -1.42 0.00 2.01 -0.82 -5.02 115.64 109.22 2fkw s THR 37 Ca 0.29 -1.28 0.14 0.00 0.31 0.00 0.00 61.69 61.15 2fkw s THR 37 Cb 0.20 -0.92 0.24 0.00 0.01 0.00 0.00 72.50 72.03 2fkw s THR 37 CO 0.30 -0.38 1.38 -2.65 -0.69 0.00 0.00 174.62 172.58 2fkw n PRO 38 N 1.19 0.20 -1.71 4.92 -0.02 -1.26 -4.67 135.00 133.65 2fkw n PRO 38 Ca -0.21 0.15 -0.43 0.00 -2.02 0.00 0.00 63.50 60.99 2fkw n PRO 38 Cb 0.55 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.51 2fkw n PRO 38 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2fkw n TRP 39 N -1.29 2.58 -1.39 6.00 -0.00 -1.26 -1.03 117.44 121.05 2fkw n TRP 39 Ca 0.07 0.23 -0.14 0.00 -0.00 0.00 0.00 57.50 57.66 2fkw n TRP 39 Cb 0.11 -2.58 -0.06 0.00 -0.00 0.00 0.00 31.31 28.78 2fkw n TRP 39 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2fkw n LEU 40 N 2.92 -0.80 0.00 5.87 4.77 -1.26 -4.80 117.00 123.71 2fkw n LEU 40 Ca 0.13 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2fkw n LEU 40 Cb 0.34 -2.57 0.00 0.00 -2.33 0.00 0.00 43.42 38.86 2fkw n LEU 40 CO 0.64 -0.97 0.00 1.41 -1.33 0.00 0.00 177.39 177.13