#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khw s ILE 62 N 0.00 2.81 -0.12 3.15 1.01 -1.26 -5.11 121.20 121.68 2khw s ILE 62 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.89 2khw s ILE 62 Cb 0.00 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 2khw s ILE 62 CO 0.00 0.55 -0.18 -0.89 0.00 0.00 0.00 174.94 174.42 2khw s THR 63 N -0.05 2.57 -0.09 2.92 2.01 -1.26 -5.12 115.64 116.63 2khw s THR 63 Ca -0.04 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.15 2khw s THR 63 Cb -0.14 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 2khw s THR 63 CO 0.04 0.54 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.02 2khw s PHE 64 N 0.43 2.77 1.03 4.92 0.08 -1.26 -5.11 117.98 120.84 2khw s PHE 64 Ca -0.13 -0.35 -0.18 0.00 0.12 0.00 0.00 56.93 56.39 2khw s PHE 64 Cb -0.17 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 2khw s PHE 64 CO 0.06 0.03 -0.31 -2.30 -0.10 0.00 0.00 175.22 172.60 2khw n PRO 65 N 2.83 -0.66 0.00 0.24 -0.02 -1.26 -4.77 135.00 131.35 2khw n PRO 65 Ca -0.18 -0.18 0.06 0.00 -2.02 0.00 0.00 63.50 61.19 2khw n PRO 65 Cb 0.52 -1.50 0.34 0.00 -0.02 0.00 0.00 33.50 32.85 2khw n PRO 65 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2khw n SER 66 N 0.26 0.00 0.00 2.55 7.64 -1.26 -2.14 113.62 120.68 2khw n SER 66 Ca 0.01 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2khw n SER 66 Cb 0.61 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2khw n SER 66 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2khw n ASP 67 N -1.13 1.52 -4.46 6.43 8.00 -1.26 -5.01 116.55 120.64 2khw n ASP 67 Ca 0.08 -1.62 -0.33 0.00 0.71 0.00 0.00 54.79 53.63 2khw n ASP 67 Cb 0.07 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.04 2khw n ASP 67 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2khw s ILE 68 N -0.62 3.62 -0.13 0.53 -1.09 -0.91 -5.10 121.20 117.49 2khw s ILE 68 Ca 0.00 -0.46 -0.08 0.00 -2.23 0.00 0.00 60.65 57.89 2khw s ILE 68 Cb 0.00 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.27 2khw s ILE 68 CO 0.00 0.50 0.14 -0.62 -1.23 0.00 0.00 174.94 173.73 2khw s ASP 69 N 0.36 6.36 0.14 3.58 -1.08 -1.26 -4.66 116.67 120.11 2khw s ASP 69 Ca -0.06 0.43 -0.09 0.00 -0.52 0.00 0.00 52.55 52.30 2khw s ASP 69 Cb -0.15 -2.07 -0.03 0.00 -1.46 0.00 0.00 42.92 39.20 2khw s ASP 69 CO 0.04 0.37 1.43 1.55 0.52 0.00 0.00 175.17 179.07 2khw h PRO 70 N 5.30 0.77 -0.64 4.34 0.13 -1.99 -2.65 132.00 137.26 2khw h PRO 70 Ca -0.52 -0.50 0.08 0.00 -0.87 0.00 0.00 66.00 64.18 2khw h PRO 70 Cb 1.21 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 2khw h PRO 70 CO 0.61 1.13 0.31 0.37 -0.23 0.00 0.00 178.00 180.19 2khw h GLN 71 N 0.58 0.54 0.00 0.86 4.15 -2.00 -1.49 115.11 117.75 2khw h GLN 71 Ca 0.01 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 2khw h GLN 71 Cb 1.17 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 2khw h GLN 71 CO 0.12 0.36 -0.43 0.28 -1.93 0.00 0.00 178.83 177.22 2khw h VAL 72 N 0.56 0.61 0.19 2.39 2.07 -1.99 -3.30 116.25 116.78 2khw h VAL 72 Ca 0.31 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 2khw h VAL 72 Cb 0.29 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2khw h VAL 72 CO -0.24 0.35 -0.09 0.15 0.02 0.00 0.00 177.57 177.75 2khw h PHE 73 N 0.00 -0.24 0.00 1.57 3.57 -0.92 -2.96 116.94 117.95 2khw h PHE 73 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2khw h PHE 73 Cb 1.29 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.11 2khw h PHE 73 CO 0.00 0.15 0.00 1.88 -2.23 0.00 0.00 178.31 178.11 2khw h TYR 74 N -0.72 0.00 -0.00 0.41 0.05 -1.48 0.23 116.97 115.46 2khw h TYR 74 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2khw h TYR 74 Cb 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2khw h TYR 74 CO 0.05 0.00 -0.11 0.39 -1.05 0.00 0.00 178.16 177.45 2khw n GLU 75 N -2.40 0.41 -3.31 4.88 1.02 -1.12 -4.83 120.64 115.28 2khw n GLU 75 Ca -0.01 -0.10 -0.31 0.00 -0.02 0.00 0.00 57.16 56.72 2khw n GLU 75 Cb 0.09 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.97 2khw n GLU 75 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2khw s LEU 76 N -2.66 4.09 0.75 -4.62 1.43 0.07 -5.05 118.68 112.69 2khw s LEU 76 Ca 0.24 0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 54.09 2khw s LEU 76 Cb 0.20 -3.70 0.01 0.00 0.03 0.00 0.00 46.19 42.72 2khw s LEU 76 CO 0.51 -0.15 0.89 -0.81 0.23 0.00 0.00 176.35 177.01 2khw n PRO 77 N -0.51 0.36 0.06 1.29 -0.04 -1.26 -4.74 135.00 130.17 2khw n PRO 77 Ca 0.00 0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.51 2khw n PRO 77 Cb 0.53 -2.16 -0.08 0.00 -0.04 0.00 0.00 33.50 31.75 2khw n PRO 77 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2khw h GLU 78 N -0.47 -0.10 -0.78 0.54 4.57 -1.96 0.25 114.58 116.62 2khw h GLU 78 Ca -0.47 0.01 0.18 0.00 -1.18 0.00 0.00 59.36 57.90 2khw h GLU 78 Cb 1.33 0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 29.83 2khw h GLU 78 CO 0.45 0.06 0.22 0.00 -1.18 0.00 0.00 179.01 178.57 2khw h ALA 79 N 0.65 1.07 -0.02 2.92 0.00 -2.00 0.56 119.26 122.44 2khw h ALA 79 Ca -0.01 0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 2khw h ALA 79 Cb 0.22 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2khw h ALA 79 CO 0.02 -0.34 -0.72 0.28 0.00 0.00 0.00 179.25 178.49 2khw h VAL 80 N 0.29 1.46 0.08 0.00 2.07 -1.89 -2.87 116.25 115.38 2khw h VAL 80 Ca 0.45 -2.31 -0.00 0.00 0.82 0.00 0.00 66.70 65.66 2khw h VAL 80 Cb 0.80 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2khw h VAL 80 CO -0.53 0.67 -0.04 -0.61 0.02 0.00 0.00 177.57 177.09 2khw h GLN 81 N 0.10 -0.10 -0.39 1.57 4.15 0.21 -1.72 115.11 118.93 2khw h GLN 81 Ca -0.02 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.45 2khw h GLN 81 Cb 1.27 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.94 2khw h GLN 81 CO 0.11 -0.06 0.14 0.87 -1.93 0.00 0.00 178.83 177.96 2khw h LYS 82 N -0.11 0.30 -0.80 1.69 1.79 -0.45 -0.31 116.57 118.68 2khw h LYS 82 Ca -0.01 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 2khw h LYS 82 Cb 0.09 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 30.62 2khw h LYS 82 CO 0.02 0.20 0.53 0.93 -1.08 0.00 0.00 179.45 180.05 2khw h GLU 83 N 0.31 0.97 -0.09 3.15 5.08 -1.26 0.35 114.58 123.08 2khw h GLU 83 Ca 0.18 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 58.25 2khw h GLU 83 Cb 0.15 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.20 2khw h GLU 83 CO -0.18 0.64 -0.85 -0.07 -1.00 0.00 0.00 179.01 177.55 2khw h LEU 84 N 1.00 0.91 -0.46 1.33 3.38 -0.53 -2.23 115.31 118.71 2khw h LEU 84 Ca 0.32 -0.67 -0.16 0.00 0.09 0.00 0.00 57.88 57.46 2khw h LEU 84 Cb 0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2khw h LEU 84 CO -0.09 1.45 -0.41 -0.07 0.09 0.00 0.00 178.44 179.41 2khw h LEU 85 N 0.45 0.89 -1.34 1.67 3.38 -0.66 -2.17 115.31 117.53 2khw h LEU 85 Ca -0.08 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 2khw h LEU 85 Cb 1.49 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2khw h LEU 85 CO 0.17 1.18 0.20 0.00 0.09 0.00 0.00 178.44 180.09 2khw h ALA 86 N 0.86 1.49 -0.37 1.53 0.00 -0.32 0.58 119.26 123.02 2khw h ALA 86 Ca 0.05 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2khw h ALA 86 Cb 0.98 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2khw h ALA 86 CO 0.09 0.40 -0.32 1.49 0.00 0.00 0.00 179.25 180.91 2khw h GLU 87 N 0.65 0.84 0.00 0.00 4.22 -1.11 -0.41 114.58 118.76 2khw h GLU 87 Ca 0.16 -0.40 0.00 0.00 0.08 0.00 0.00 59.36 59.20 2khw h GLU 87 Cb 0.10 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2khw h GLU 87 CO -0.02 1.04 0.00 0.91 -2.18 0.00 0.00 179.01 178.76 2khw n TRP 88 N -4.07 0.31 -0.08 0.92 8.01 -0.66 -2.80 117.44 119.08 2khw n TRP 88 Ca -0.01 0.10 -0.22 0.00 -1.31 0.00 0.00 57.50 56.06 2khw n TRP 88 Cb 0.50 -0.67 -0.12 0.00 -2.01 0.00 0.00 31.31 29.01 2khw n TRP 88 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2khw n LYS 89 N -1.77 0.63 -0.28 -0.99 5.02 0.10 -0.43 118.16 120.44 2khw n LYS 89 Ca 0.05 0.44 -0.01 0.00 -2.02 0.00 0.00 58.31 56.77 2khw n LYS 89 Cb 0.30 -1.70 0.12 0.00 -0.02 0.00 0.00 35.03 33.73 2khw n LYS 89 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2khw h ARG 90 N -0.65 0.88 0.16 1.97 0.11 -1.13 -2.43 114.38 113.30 2khw h ARG 90 Ca -0.42 -0.05 -0.33 0.00 0.10 0.00 0.00 59.98 59.28 2khw h ARG 90 Cb 1.58 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 32.46 2khw h ARG 90 CO -0.14 0.58 -1.60 0.00 0.10 0.00 0.00 179.97 178.91 2khw h THR 91 N 0.91 1.10 0.00 0.08 1.03 -1.68 -3.52 112.91 110.82 2khw h THR 91 Ca 0.34 -2.69 0.00 0.00 -0.01 0.00 0.00 66.41 64.05 2khw h THR 91 Cb 0.13 2.80 0.00 0.00 -1.07 0.00 0.00 68.15 70.01 2khw h THR 91 CO -0.16 0.83 0.00 0.61 -0.01 0.00 0.00 175.52 176.79